smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH2+]Cc1sc(-c2ccccc2Cl)nc1COC ZINC000082445293 178021675 /nfs/dbraw/zinc/02/16/75/178021675.db2.gz SGZDBOGGEQIKOJ-UHFFFAOYSA-N 1 0 282.796 3.329 10 0 CGAERO CCCc1nc(-c2ccncc2)sc1C[NH2+]C1CC1 ZINC000082427308 178002675 /nfs/dbraw/zinc/00/26/75/178002675.db2.gz RQCNVTAQKWDVRX-UHFFFAOYSA-N 1 0 273.405 3.410 10 0 CGAERO CC(C)c1nc(N2CCCC[C@H]2C)sc1C[NH3+] ZINC000082434800 178012040 /nfs/dbraw/zinc/01/20/40/178012040.db2.gz GODABHFSUFHLPM-SNVBAGLBSA-N 1 0 253.415 3.104 10 0 CGAERO C[NH2+][C@@H]1CC2(CCCCC2)Oc2cc(OC)ccc21 ZINC000082509153 178075343 /nfs/dbraw/zinc/07/53/43/178075343.db2.gz XZIQMRSKJRERBO-CQSZACIVSA-N 1 0 261.365 3.441 10 0 CGAERO [NH3+]CCc1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1 ZINC000082571671 178108654 /nfs/dbraw/zinc/10/86/54/178108654.db2.gz PZZVBAPYBRYXCS-UHFFFAOYSA-N 1 0 263.344 3.245 10 0 CGAERO Cc1c(C[NH2+]CC(C)C)cnn1-c1ccccc1C ZINC000082660328 178146973 /nfs/dbraw/zinc/14/69/73/178146973.db2.gz MCAUWMVWCPDFQG-UHFFFAOYSA-N 1 0 257.381 3.235 10 0 CGAERO [NH3+][C@@H](Cc1ccccc1Br)CC1CC1 ZINC000083000234 178333999 /nfs/dbraw/zinc/33/39/99/178333999.db2.gz QIJVGXQFKBTBNG-LLVKDONJSA-N 1 0 254.171 3.119 10 0 CGAERO COc1cc([C@@H](CC[NH3+])C(C)C)c(OC)cc1Cl ZINC000096889217 185123573 /nfs/dbraw/zinc/12/35/73/185123573.db2.gz IHXJHTFJJIRPJD-JTQLQIEISA-N 1 0 271.788 3.446 10 0 CGAERO COc1cc(C(C)C)c(OC)cc1C[NH2+]C1CCC1 ZINC000096890166 185123656 /nfs/dbraw/zinc/12/36/56/185123656.db2.gz WJSUYMFVOPSCJN-UHFFFAOYSA-N 1 0 263.381 3.469 10 0 CGAERO CCSc1ccc([C@H](O)[C@H](C)[NH2+]C(C)C)cc1 ZINC000096890911 185124084 /nfs/dbraw/zinc/12/40/84/185124084.db2.gz LGXCYRRNXLVVKQ-SMDDNHRTSA-N 1 0 253.411 3.219 10 0 CGAERO CC(C)[NH2+][C@H](CO)c1ccc(SC(C)C)cc1 ZINC000096891047 185124459 /nfs/dbraw/zinc/12/44/59/185124459.db2.gz VCDVMKOZNMAGDN-CQSZACIVSA-N 1 0 253.411 3.219 10 0 CGAERO [NH3+][C@H]1CCN(Cc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000096945419 185135895 /nfs/dbraw/zinc/13/58/95/185135895.db2.gz FKQHQBAJCXJEMQ-IRXDYDNUSA-N 1 0 270.351 3.100 10 0 CGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ncnc2cccc(C)c21 ZINC000174924333 529408378 /nfs/dbraw/zinc/40/83/78/529408378.db2.gz LZNZVRWTVKPLBY-HUUCEWRRSA-N 1 0 296.418 3.001 10 0 CGAERO CC(C)[C@@H]1C[NH2+][C@H](C)CN1[C@@H](C)c1ccc(F)cc1 ZINC000083479875 178496089 /nfs/dbraw/zinc/49/60/89/178496089.db2.gz FZDQHSAIZWPRAE-WWGRRREGSA-N 1 0 264.388 3.205 10 0 CGAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1Cc1cccc(Cl)c1 ZINC000083493777 178518343 /nfs/dbraw/zinc/51/83/43/178518343.db2.gz NCWRMZKFRIMEOT-LSDHHAIUSA-N 1 0 266.816 3.302 10 0 CGAERO C[C@H](COCc1ccccc1)[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000623901020 349910045 /nfs/dbraw/zinc/91/00/45/349910045.db2.gz YCCYTBOWDHPFQM-HLLBOEOZSA-N 1 0 277.408 3.139 10 0 CGAERO Cc1cccc(Cl)c1NC(=O)O[C@@H]1CCC[N@@H+](C)C1 ZINC000002010846 344857451 /nfs/dbraw/zinc/85/74/51/344857451.db2.gz JWVJIHOQHASVCJ-LLVKDONJSA-N 1 0 282.771 3.291 10 0 CGAERO CC[NH2+]C[C@H](C)C(O)(c1ccccc1)c1ccccc1 ZINC000003634807 344858865 /nfs/dbraw/zinc/85/88/65/344858865.db2.gz OAILAWYLCGQCLR-HNNXBMFYSA-N 1 0 269.388 3.168 10 0 CGAERO C[N@@H+]1CCC[C@H](O)[C@@H]1C(c1ccccc1)c1ccccc1 ZINC000005599847 344862379 /nfs/dbraw/zinc/86/23/79/344862379.db2.gz DQNBDZSLMWHFTB-PKOBYXMFSA-N 1 0 281.399 3.274 10 0 CGAERO CCCCSc1c(OC)cc(CC[NH3+])cc1OC ZINC000027214496 344909325 /nfs/dbraw/zinc/90/93/25/344909325.db2.gz CPNWMHCBHUXITO-UHFFFAOYSA-N 1 0 269.410 3.097 10 0 CGAERO Cc1cc(C)c2ncc([C@@H](O)[C@@H]3CCCC[NH2+]3)cc2c1 ZINC000032229385 344930396 /nfs/dbraw/zinc/93/03/96/344930396.db2.gz ARNXTTWDERQAAT-DOTOQJQBSA-N 1 0 270.376 3.027 10 0 CGAERO COc1ccc(OCc2ccccc2)c(C[C@@H](C)[NH3+])c1 ZINC000037722639 344952568 /nfs/dbraw/zinc/95/25/68/344952568.db2.gz AIRBRNLRZNUKNN-CYBMUJFWSA-N 1 0 271.360 3.164 10 0 CGAERO COc1ccc(S(=O)(=O)Cc2ccccc2)cc1[N+]#N ZINC000038642465 344956320 /nfs/dbraw/zinc/95/63/20/344956320.db2.gz GBTFOYSEXWTMRB-UHFFFAOYSA-N 1 0 289.336 3.154 10 0 CGAERO C[C@]12CCC(=O)C=C1CC[N@H+](Cc1ccccc1)C2 ZINC000039171908 344958053 /nfs/dbraw/zinc/95/80/53/344958053.db2.gz LNBWHZNWSJJWFX-QGZVFWFLSA-N 1 0 255.361 3.188 10 0 CGAERO CCNc1c(N)c[nH+]c2ccc(Br)cc21 ZINC000036812971 344945155 /nfs/dbraw/zinc/94/51/55/344945155.db2.gz MMUATDKIOICYFP-UHFFFAOYSA-N 1 0 266.142 3.011 10 0 CGAERO CCC[C@@H]([NH3+])C(=O)Nc1ccc2oc(C(C)C)nc2c1 ZINC000037041370 344946809 /nfs/dbraw/zinc/94/68/09/344946809.db2.gz UONGBNRRRPDZSH-LLVKDONJSA-N 1 0 275.352 3.017 10 0 CGAERO CC(C)(C)C1CCC([NH2+][C@@H]2CCC[C@H](O)C2)CC1 ZINC000037164686 344947901 /nfs/dbraw/zinc/94/79/01/344947901.db2.gz DTXRDYJIWNWUAP-CVSAEHQPSA-N 1 0 253.430 3.484 10 0 CGAERO CCc1oc2ccccc2c1C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000037166247 344948089 /nfs/dbraw/zinc/94/80/89/344948089.db2.gz YIFCWABDILBHBM-STQMWFEESA-N 1 0 273.376 3.388 10 0 CGAERO [NH3+]C[C@@H]1CCC[C@@H]1Oc1cccc(C(F)(F)F)c1 ZINC000037162167 344948226 /nfs/dbraw/zinc/94/82/26/344948226.db2.gz JWUWWZDFPCTKGE-CABZTGNLSA-N 1 0 259.271 3.212 10 0 CGAERO CCCCOc1ccc(C[NH2+][C@@H]2CCC[C@H](O)C2)cc1 ZINC000037163784 344948272 /nfs/dbraw/zinc/94/82/72/344948272.db2.gz XXPHVPBTVOEQII-CVEARBPZSA-N 1 0 277.408 3.259 10 0 CGAERO [NH3+][C@@H]1CCC[C@H]1Cc1ccc(Br)s1 ZINC000042398067 344982779 /nfs/dbraw/zinc/98/27/79/344982779.db2.gz JESGMVJAPRLOEG-IONNQARKSA-N 1 0 260.200 3.181 10 0 CGAERO Brc1ccccc1S[C@@H]1CCC[NH2+]C1 ZINC000043501675 344999000 /nfs/dbraw/zinc/99/90/00/344999000.db2.gz VTVZXPJTABMAOU-SECBINFHSA-N 1 0 272.211 3.293 10 0 CGAERO FC(F)(F)c1ccc(COC[C@@H]2CCC[NH2+]C2)cc1 ZINC000051815616 345093273 /nfs/dbraw/zinc/09/32/73/345093273.db2.gz MDIZQEKHXNROST-GFCCVEGCSA-N 1 0 273.298 3.222 10 0 CGAERO FC(F)(F)Oc1ccc(COCC2CC[NH2+]CC2)cc1 ZINC000051814954 345093446 /nfs/dbraw/zinc/09/34/46/345093446.db2.gz NQSYERDGPMUYRX-UHFFFAOYSA-N 1 0 289.297 3.101 10 0 CGAERO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307859 345132288 /nfs/dbraw/zinc/13/22/88/345132288.db2.gz CSRMYFLZQRQKKU-QWHCGFSZSA-N 1 0 294.826 3.249 10 0 CGAERO CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054306456 345132360 /nfs/dbraw/zinc/13/23/60/345132360.db2.gz OLTVZRAAJLOHIZ-ZNMIVQPWSA-N 1 0 280.456 3.097 10 0 CGAERO CC(C)(C)[C@@H](NC(=O)C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000054306923 345132502 /nfs/dbraw/zinc/13/25/02/345132502.db2.gz KSZZAACBTZUDEB-PBHICJAKSA-N 1 0 288.435 3.280 10 0 CGAERO CC[C@@]1(c2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000054587595 345136506 /nfs/dbraw/zinc/13/65/06/345136506.db2.gz JYRNITKJHLOJOO-JQWIXIFHSA-N 1 0 254.171 3.076 10 0 CGAERO [NH3+][C@H](Cc1ccccc1)[C@H](O)c1ccc(Cl)c(F)c1 ZINC000054685831 345137974 /nfs/dbraw/zinc/13/79/74/345137974.db2.gz HSCPXAFFBDJQBJ-HUUCEWRRSA-N 1 0 279.742 3.083 10 0 CGAERO C[NH2+]CC(C)(C)Cc1ccccc1Br ZINC000054637835 345138012 /nfs/dbraw/zinc/13/80/12/345138012.db2.gz ORPBQEMGXBKLDP-UHFFFAOYSA-N 1 0 256.187 3.237 10 0 CGAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2nc(-c3ccccc3)cs2)C1 ZINC000061680890 345231160 /nfs/dbraw/zinc/23/11/60/345231160.db2.gz PJQVRJRPEYYPFC-ZIAGYGMSSA-N 1 0 288.416 3.203 10 0 CGAERO C[C@@H]([NH3+])[C@@H](C)c1ncc(C(F)(F)F)cc1Cl ZINC000063028708 345243514 /nfs/dbraw/zinc/24/35/14/345243514.db2.gz CVXHVOJRHYGZOM-PHDIDXHHSA-N 1 0 252.667 3.205 10 0 CGAERO Cc1cccc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1C ZINC000068223386 345346621 /nfs/dbraw/zinc/34/66/21/345346621.db2.gz LNXWNWKDSOGNNL-OAHLLOKOSA-N 1 0 276.424 3.010 10 0 CGAERO CC(C)[C@@H]([NH3+])c1cc(F)c(Br)cc1F ZINC000070472571 345391437 /nfs/dbraw/zinc/39/14/37/345391437.db2.gz RCGDXYZHKGOPRM-SNVBAGLBSA-N 1 0 264.113 3.383 10 0 CGAERO CC(C)CNC(=[NH2+])c1ccc(Br)s1 ZINC000070598088 345392693 /nfs/dbraw/zinc/39/26/93/345392693.db2.gz ZDGWICCSRLMFDQ-UHFFFAOYSA-N 1 0 261.188 3.082 10 0 CGAERO [NH3+][C@H]1CC[C@H](Cc2ccc(Br)s2)C1 ZINC000070741210 345394148 /nfs/dbraw/zinc/39/41/48/345394148.db2.gz SFBYWFWTDOSVHA-YUMQZZPRSA-N 1 0 260.200 3.181 10 0 CGAERO [NH3+][C@@H]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000070741187 345394245 /nfs/dbraw/zinc/39/42/45/345394245.db2.gz CPJKWWLEQUZPPT-CMPLNLGQSA-N 1 0 254.171 3.119 10 0 CGAERO CCn1nc(C)c([C@@H](C)[NH2+]CCCCSC)c1C ZINC000131516756 232192521 /nfs/dbraw/zinc/19/25/21/232192521.db2.gz JNOOXXULBFDDMG-LLVKDONJSA-N 1 0 269.458 3.314 10 0 CGAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1cccc(Br)c1 ZINC000148085732 232202302 /nfs/dbraw/zinc/20/23/02/232202302.db2.gz UJTGDEHGOIJYBL-LEWSCRJBSA-N 1 0 298.224 3.403 10 0 CGAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000152327806 232209668 /nfs/dbraw/zinc/20/96/68/232209668.db2.gz BTGUZEZTOKUEMQ-GXTWGEPZSA-N 1 0 287.325 3.346 10 0 CGAERO CC(C)(C)[C@@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000079341540 345637772 /nfs/dbraw/zinc/63/77/72/345637772.db2.gz XJLUEUFVNRKNNI-HUUCEWRRSA-N 1 0 280.456 3.051 10 0 CGAERO Cc1ccnc(N2CCC[C@H]([NH+]3CCCCCC3)C2)c1 ZINC000091482476 345816226 /nfs/dbraw/zinc/81/62/26/345816226.db2.gz HGMWXWCQCIUGJY-INIZCTEOSA-N 1 0 273.424 3.235 10 0 CGAERO CN(Cc1ccc(C(C)(C)C)cc1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091548220 345818610 /nfs/dbraw/zinc/81/86/10/345818610.db2.gz MURLDQCQTHZVCB-HOCLYGCPSA-N 1 0 288.435 3.070 10 0 CGAERO Cn1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC000091008143 345799898 /nfs/dbraw/zinc/79/98/98/345799898.db2.gz HWYLYZZFJOVFOV-NWDGAFQWSA-N 1 0 260.303 3.236 10 0 CGAERO Fc1ccc(C(F)(F)F)cc1CC1CC[NH2+]CC1 ZINC000084933444 178932138 /nfs/dbraw/zinc/93/21/38/178932138.db2.gz FHIQLAVECCICKI-UHFFFAOYSA-N 1 0 261.262 3.387 10 0 CGAERO Cc1cc2ccccc2nc1N1CCC([C@H](C)[NH3+])CC1 ZINC000111612478 345949941 /nfs/dbraw/zinc/94/99/41/345949941.db2.gz SXAPOHKFSHGMES-ZDUSSCGKSA-N 1 0 269.392 3.107 10 0 CGAERO Cc1cc2ccccc2nc1N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000111716051 345951134 /nfs/dbraw/zinc/95/11/34/345951134.db2.gz XRQOOUSITCQBDA-UKRRQHHQSA-N 1 0 269.392 3.107 10 0 CGAERO COc1ccc([C@@H]2C[NH2+]CCCN2c2ccccc2)cc1 ZINC000117616058 345984886 /nfs/dbraw/zinc/98/48/86/345984886.db2.gz CJMGHJOXMZKILL-SFHVURJKSA-N 1 0 282.387 3.236 10 0 CGAERO COc1ccccc1[C@H]1C[NH2+]CCCN1c1ccccc1 ZINC000117606367 345985118 /nfs/dbraw/zinc/98/51/18/345985118.db2.gz FHTBQFYHCGTIGM-QGZVFWFLSA-N 1 0 282.387 3.236 10 0 CGAERO Cc1ccc(C(=O)Nc2ccc([C@@H]3CCC[NH2+]C3)cc2)cn1 ZINC000117718701 345985906 /nfs/dbraw/zinc/98/59/06/345985906.db2.gz PMXQGLNRERVYTI-OAHLLOKOSA-N 1 0 295.386 3.109 10 0 CGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1=CCCOC1 ZINC000127278939 346030193 /nfs/dbraw/zinc/03/01/93/346030193.db2.gz SBVBHXKUFHWVON-VNQPRFMTSA-N 1 0 251.414 3.384 10 0 CGAERO CC[C@H]1C[C@H]([NH3+])c2ccc(Br)cc2O1 ZINC000130823337 346060898 /nfs/dbraw/zinc/06/08/98/346060898.db2.gz ZCHUWOXFUQRPSC-WPRPVWTQSA-N 1 0 256.143 3.010 10 0 CGAERO CC[C@@H]1CCc2sc(Br)c(C[NH3+])c21 ZINC000132827322 346074441 /nfs/dbraw/zinc/07/44/41/346074441.db2.gz HWNUNECGDIHMGH-ZCFIWIBFSA-N 1 0 260.200 3.409 10 0 CGAERO C[C@]1(C(=O)Nc2ccc(C(F)(F)F)cc2)CCCC[NH2+]1 ZINC000133060870 346074897 /nfs/dbraw/zinc/07/48/97/346074897.db2.gz WGLNUUDBXZFQRM-CYBMUJFWSA-N 1 0 286.297 3.176 10 0 CGAERO CCCCC[C@@H]([NH3+])c1ccc(Br)cn1 ZINC000133132971 346075272 /nfs/dbraw/zinc/07/52/72/346075272.db2.gz FSYNDRNWZBTPOL-SNVBAGLBSA-N 1 0 257.175 3.424 10 0 CGAERO CCCCC[C@H]([NH3+])c1ccc(Br)cn1 ZINC000133132752 346075844 /nfs/dbraw/zinc/07/58/44/346075844.db2.gz FSYNDRNWZBTPOL-JTQLQIEISA-N 1 0 257.175 3.424 10 0 CGAERO C[NH2+][C@H]1CSC[C@@H]1Cc1cc(Br)cs1 ZINC000134586077 346083359 /nfs/dbraw/zinc/08/33/59/346083359.db2.gz RCNROMDXEDCIJI-XVKPBYJWSA-N 1 0 292.267 3.004 10 0 CGAERO [NH3+]C[C@H]1Cc2cc(F)cc(-c3ccc(Cl)cc3)c2O1 ZINC000137318545 346093948 /nfs/dbraw/zinc/09/39/48/346093948.db2.gz HMLOLVYSTFKLBU-CYBMUJFWSA-N 1 0 277.726 3.408 10 0 CGAERO N[C@H](c1c(Cl)cc(O)cc1Cl)[C@H]([NH3+])c1ccccc1 ZINC000137376947 346093971 /nfs/dbraw/zinc/09/39/71/346093971.db2.gz VKFFVLQURYEYPA-ZIAGYGMSSA-N 1 0 297.185 3.399 10 0 CGAERO Nc1cc2ncc(C[NH+]3CCCC3)cc2cc1Cl ZINC000139693408 346101765 /nfs/dbraw/zinc/10/17/65/346101765.db2.gz GBAFUDYEZGDYSS-UHFFFAOYSA-N 1 0 261.756 3.066 10 0 CGAERO CC(C)(C)OC(=O)NC[C@@H]([NH3+])c1cccc2ccccc21 ZINC000141856157 346109233 /nfs/dbraw/zinc/10/92/33/346109233.db2.gz TVFGQBFXADIVOV-OAHLLOKOSA-N 1 0 286.375 3.364 10 0 CGAERO c1ccc(C(c2ccccc2)[C@H]2CC[C@H]3CN2CC[NH2+]3)cc1 ZINC000145063522 346119621 /nfs/dbraw/zinc/11/96/21/346119621.db2.gz OWOKJCHLZPCDHX-RBUKOAKNSA-N 1 0 292.426 3.255 10 0 CGAERO C[NH2+]C[C@H]1Cc2cccc(-c3ccccc3F)c2O1 ZINC000146462427 346123609 /nfs/dbraw/zinc/12/36/09/346123609.db2.gz REGYKDAPLKRDRJ-GFCCVEGCSA-N 1 0 257.308 3.016 10 0 CGAERO CC[C@H](CC(=O)N1CC[C@H]([NH+](C)C)C1)c1ccc(C)cc1 ZINC000158679034 346165658 /nfs/dbraw/zinc/16/56/58/346165658.db2.gz NTXVGYIGDGFIAG-WBVHZDCISA-N 1 0 288.435 3.041 10 0 CGAERO C[C@H]1Cc2c(cc(Br)cc2Cl)[C@H]1[NH3+] ZINC000161091722 346174172 /nfs/dbraw/zinc/17/41/72/346174172.db2.gz YYCOVXODQNIKME-RRAGMBSWSA-N 1 0 260.562 3.295 10 0 CGAERO C[C@H]1C[NH2+][C@@H](c2ccc(Br)c(F)c2)S1 ZINC000161838031 346176665 /nfs/dbraw/zinc/17/66/65/346176665.db2.gz JTYFGACXVARTOL-QUBYGPBYSA-N 1 0 276.174 3.312 10 0 CGAERO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2c(C)cccc2C)C1 ZINC000154574756 346149671 /nfs/dbraw/zinc/14/96/71/346149671.db2.gz BIVWPUJDBCLAIS-MRXNPFEDSA-N 1 0 288.435 3.184 10 0 CGAERO CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000163877690 346181402 /nfs/dbraw/zinc/18/14/02/346181402.db2.gz OMNRJESZDLUODE-SJORKVTESA-N 1 0 292.467 3.003 10 0 CGAERO Cc1cc(Cl)nc2c1CN(C)C[C@H](CC(F)(F)F)O2 ZINC000167215190 346188091 /nfs/dbraw/zinc/18/80/91/346188091.db2.gz RFBJCCBSMKCHKE-QMMMGPOBSA-N 1 0 294.704 3.189 10 0 CGAERO Cn1c2ncccc2c(C[NH+](C)C)c1-c1ccccc1 ZINC000168614908 346191428 /nfs/dbraw/zinc/19/14/28/346191428.db2.gz YDOGBSIDEKSJKJ-UHFFFAOYSA-N 1 0 265.360 3.302 10 0 CGAERO CC(=O)NC(C)(C)C[C@@H](C1CCCC1)C1CC[NH2+]CC1 ZINC000201829236 346280617 /nfs/dbraw/zinc/28/06/17/346280617.db2.gz MZWZHYUGZDVYFE-INIZCTEOSA-N 1 0 280.456 3.097 10 0 CGAERO Cc1sc(C2CC[NH2+]CC2)cc1Br ZINC000218059870 346292705 /nfs/dbraw/zinc/29/27/05/346292705.db2.gz LPIWZHIZOOZEMY-UHFFFAOYSA-N 1 0 260.200 3.286 10 0 CGAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](C(C)(C)C)C1 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ZINC000235809594 346337766 /nfs/dbraw/zinc/33/77/66/346337766.db2.gz FVUJCGHPHLZPRY-MRVPVSSYSA-N 1 0 272.167 3.460 10 0 CGAERO Cc1ccc([C@@H]2NC(=[NH2+])O[C@@H]3c4ccccc4C[C@H]32)cc1 ZINC000256506451 346399654 /nfs/dbraw/zinc/39/96/54/346399654.db2.gz LXIZACHRBPHSME-YESZJQIVSA-N 1 0 278.355 3.295 10 0 CGAERO CC(C)C[C@@H]([NH3+])c1cc(O)ccc1Br ZINC000306597324 346455941 /nfs/dbraw/zinc/45/59/41/346455941.db2.gz ZNOPEFBGKBWQCF-LLVKDONJSA-N 1 0 258.159 3.201 10 0 CGAERO C[C@H]([NH3+])[C@](C)(F)c1cscc1Br ZINC000307395035 346462271 /nfs/dbraw/zinc/46/22/71/346462271.db2.gz GCCZSTGIWISQBF-XNCJUZBTSA-N 1 0 252.152 3.043 10 0 CGAERO C[C@H](c1ccc(Br)cc1)C1([NH3+])CCC1 ZINC000307386261 346462287 /nfs/dbraw/zinc/46/22/87/346462287.db2.gz AGJWPQFSGVDBPB-SECBINFHSA-N 1 0 254.171 3.434 10 0 CGAERO CCOC(=O)C1CCC([NH2+][C@H](CC)[C@@H]2C[C@@H]2C)CC1 ZINC000321363854 346490037 /nfs/dbraw/zinc/49/00/37/346490037.db2.gz DDWZVKHLVQQXDK-HTXSYXIBSA-N 1 0 267.413 3.133 10 0 CGAERO OC1([C@@H]2CCC[NH2+]C2)c2ccccc2CCc2ccccc21 ZINC000584638135 346701803 /nfs/dbraw/zinc/70/18/03/346701803.db2.gz SKMNFWAPQMKHRJ-QGZVFWFLSA-N 1 0 293.410 3.021 10 0 CGAERO Cc1cc2c(cn1)C1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC000584649567 346704240 /nfs/dbraw/zinc/70/42/40/346704240.db2.gz BSMXHRJFSYBWLF-UHFFFAOYSA-N 1 0 294.398 3.412 10 0 CGAERO C[NH2+]CCO[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000584601595 346689614 /nfs/dbraw/zinc/68/96/14/346689614.db2.gz BTELPYKKGAGVIL-XBMUEBEBSA-N 1 0 279.383 3.272 10 0 CGAERO COC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CCCCC[C@H]1C ZINC000586769669 346733943 /nfs/dbraw/zinc/73/39/43/346733943.db2.gz QISMSEWTVXCGJR-MCIONIFRSA-N 1 0 255.402 3.133 10 0 CGAERO C/C(=C/c1ccccc1)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000128570819 187378168 /nfs/dbraw/zinc/37/81/68/187378168.db2.gz BHSJJSCUAHEJMI-FJJYYWMZSA-N 1 0 296.418 3.094 10 0 CGAERO CC(C)([NH3+])c1nc2ccc(Br)cc2s1 ZINC000086479138 179300489 /nfs/dbraw/zinc/30/04/89/179300489.db2.gz ZUYGLPZAQKFHNE-UHFFFAOYSA-N 1 0 271.183 3.253 10 0 CGAERO COc1ccc(CCCC[NH2+]C2CC2)cc1Cl ZINC000086585296 179310426 /nfs/dbraw/zinc/31/04/26/179310426.db2.gz HPWLGGPGSZCMAJ-UHFFFAOYSA-N 1 0 253.773 3.423 10 0 CGAERO CC(=O)Nc1ccccc1[C@@H]1c2ccccc2CC[N@H+]1C ZINC000616584516 348835886 /nfs/dbraw/zinc/83/58/86/348835886.db2.gz KIBWNFBLKRCIID-SFHVURJKSA-N 1 0 280.371 3.222 10 0 CGAERO CC[N@@H+]1CCc2ccccc2[C@@H]1c1cccc(CO)c1 ZINC000616588897 348838032 /nfs/dbraw/zinc/83/80/32/348838032.db2.gz UIPHQFQRSBXEOV-SFHVURJKSA-N 1 0 267.372 3.146 10 0 CGAERO CCOC(=O)c1ccc([C@H]2CC[N@@H+](C(C)C)CCO2)cc1 ZINC000616595469 348839478 /nfs/dbraw/zinc/83/94/78/348839478.db2.gz VWCBMUXBRHLGKT-MRXNPFEDSA-N 1 0 291.391 3.035 10 0 CGAERO CCOC(=O)c1ccccc1[C@@H]1CCOCC[N@@H+]1C(C)C ZINC000616598828 348841329 /nfs/dbraw/zinc/84/13/29/348841329.db2.gz SLBLMIRDZQUDMG-INIZCTEOSA-N 1 0 291.391 3.035 10 0 CGAERO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+](C(C)(C)C)C1 ZINC000616604291 348843261 /nfs/dbraw/zinc/84/32/61/348843261.db2.gz LBHIYPJAKWWFFE-CYBMUJFWSA-N 1 0 284.444 3.412 10 0 CGAERO CN(C(=O)OC(C)(C)C)c1ccccc1[C@H]1CC[N@H+](C)C1 ZINC000616610657 348844847 /nfs/dbraw/zinc/84/48/47/348844847.db2.gz RRJGKEAJOVOIEJ-ZDUSSCGKSA-N 1 0 290.407 3.477 10 0 CGAERO CCOC(=O)c1cccc([C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000616612983 348845941 /nfs/dbraw/zinc/84/59/41/348845941.db2.gz FVSMLANAXKMVAC-HNNXBMFYSA-N 1 0 275.392 3.451 10 0 CGAERO OCC[N@@H+]1CCCCC[C@@H]1c1ccc2ncccc2c1 ZINC000616623837 348849683 /nfs/dbraw/zinc/84/96/83/348849683.db2.gz JNIULDHAOFQVNX-QGZVFWFLSA-N 1 0 270.376 3.144 10 0 CGAERO c1cc([C@H]2CCCC[N@@H+](Cc3ccccc3)C2)no1 ZINC000616629201 348851843 /nfs/dbraw/zinc/85/18/43/348851843.db2.gz QHHXPNVKZRWSTF-HNNXBMFYSA-N 1 0 256.349 3.444 10 0 CGAERO OCc1cccc([C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000616633618 348853715 /nfs/dbraw/zinc/85/37/15/348853715.db2.gz ONFMFYVQTTVACJ-SFHVURJKSA-N 1 0 267.372 3.168 10 0 CGAERO CNc1cccc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000616642817 348854340 /nfs/dbraw/zinc/85/43/40/348854340.db2.gz IZURRFVTNCYMNN-SFHVURJKSA-N 1 0 282.387 3.302 10 0 CGAERO CNc1ccccc1[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000616643143 348854555 /nfs/dbraw/zinc/85/45/55/348854555.db2.gz WQQBHAJYDLHGQY-SFHVURJKSA-N 1 0 282.387 3.302 10 0 CGAERO CC(C)(C)[N@@H+]1CCO[C@H](c2cnc3ccccc3c2)C1 ZINC000616649539 348855557 /nfs/dbraw/zinc/85/55/57/348855557.db2.gz XXDZNWKIKILUFI-INIZCTEOSA-N 1 0 270.376 3.407 10 0 CGAERO CC(C)[N@@H+]1CCCOC[C@H]1c1cncc2ccccc21 ZINC000616646089 348855944 /nfs/dbraw/zinc/85/59/44/348855944.db2.gz SOYGWPODOTVIQP-KRWDZBQOSA-N 1 0 270.376 3.407 10 0 CGAERO c1ccc(C[N@@H+]2CCCO[C@@H](c3ccncc3)C2)cc1 ZINC000616650975 348856626 /nfs/dbraw/zinc/85/66/26/348856626.db2.gz HUHDIUUJWPLESN-QGZVFWFLSA-N 1 0 268.360 3.045 10 0 CGAERO COc1ccc([C@H]2C[N@@H+](C(C)(C)C)CCCO2)cc1 ZINC000616653657 348858071 /nfs/dbraw/zinc/85/80/71/348858071.db2.gz SGVPPVZLPWCUQL-OAHLLOKOSA-N 1 0 263.381 3.257 10 0 CGAERO [NH3+]CC[C@H]1CCc2ccccc2N1Cc1ccccc1 ZINC000616667306 348859576 /nfs/dbraw/zinc/85/95/76/348859576.db2.gz HEVNKKZFENFPPZ-QGZVFWFLSA-N 1 0 266.388 3.357 10 0 CGAERO CC(C)[N@@H+]1CCc2ccccc2[C@@H]1c1cccnc1N ZINC000616678165 348864899 /nfs/dbraw/zinc/86/48/99/348864899.db2.gz ATOAEEARGHGSRH-MRXNPFEDSA-N 1 0 267.376 3.020 10 0 CGAERO CC[NH2+]Cc1ccccc1NC(=O)c1ccccc1OC ZINC000036281605 137873305 /nfs/dbraw/zinc/87/33/05/137873305.db2.gz PXQKPNUFJUAIEL-UHFFFAOYSA-N 1 0 284.359 3.057 10 0 CGAERO CSc1ccc(O[C@@H](c2ccccn2)[C@@H](C)[NH3+])cc1 ZINC000104339103 185974203 /nfs/dbraw/zinc/97/42/03/185974203.db2.gz ZDEOHUGVOAMBFV-IAQYHMDHSA-N 1 0 274.389 3.271 10 0 CGAERO CSc1ccc(Oc2ccc(C(N)=[NH2+])cc2)cc1 ZINC000104344129 185976697 /nfs/dbraw/zinc/97/66/97/185976697.db2.gz KOHMLCCOFGJGPN-UHFFFAOYSA-N 1 0 258.346 3.485 10 0 CGAERO CC[C@@H]([NH3+])[C@H](c1cccs1)N(C)Cc1scnc1C ZINC000104430248 185999477 /nfs/dbraw/zinc/99/94/77/185999477.db2.gz MPYURORDLKPHRM-BXUZGUMPSA-N 1 0 295.477 3.423 10 0 CGAERO CC(C)c1cnc(-c2ccc(NC(=O)[C@H]3CCC[NH2+]3)cc2)o1 ZINC000116699506 186720913 /nfs/dbraw/zinc/72/09/13/186720913.db2.gz JUMNSCUYGTYVGY-CQSZACIVSA-N 1 0 299.374 3.156 10 0 CGAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccsc1 ZINC000122816742 187053630 /nfs/dbraw/zinc/05/36/30/187053630.db2.gz OLHXJXBMXASTLM-AWEZNQCLSA-N 1 0 275.421 3.436 10 0 CGAERO C[C@@H](COCc1ccccc1)[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000271630838 191248983 /nfs/dbraw/zinc/24/89/83/191248983.db2.gz YLYAIROBJCFXQU-KBPBESRZSA-N 1 0 288.366 3.477 10 0 CGAERO CC[C@@H]([NH2+]CCn1cc(C)cn1)c1ccc(F)cc1 ZINC000154942492 188171716 /nfs/dbraw/zinc/17/17/16/188171716.db2.gz KCCILBSQHAPIRD-OAHLLOKOSA-N 1 0 261.344 3.072 10 0 CGAERO Cc1nc([C@@H]2CCC[N@@H+](C3CCC3)C2)sc1C ZINC000336428872 213290673 /nfs/dbraw/zinc/29/06/73/213290673.db2.gz MLKBCVBSUMCQLC-GFCCVEGCSA-N 1 0 250.411 3.492 10 0 CGAERO CCC(=CC(=O)N[C@H](C[NH+](C)C)c1ccccc1)CC ZINC000164647006 188626131 /nfs/dbraw/zinc/62/61/31/188626131.db2.gz VKNFFRAUPITPML-MRXNPFEDSA-N 1 0 274.408 3.152 10 0 CGAERO O=C1CCC[C@H]([C@H]2C[C@H](c3ccccc3)CC[NH2+]2)C1 ZINC000167556840 188643560 /nfs/dbraw/zinc/64/35/60/188643560.db2.gz MKJXSYFYDYNNGS-HLLBOEOZSA-N 1 0 257.377 3.282 10 0 CGAERO CC(C)[C@@H]1C[NH2+][C@@H](C(C)C)CN1c1ccc(F)cc1 ZINC000083479899 535264555 /nfs/dbraw/zinc/26/45/55/535264555.db2.gz PKURGCXSOPUYFE-CVEARBPZSA-N 1 0 264.388 3.285 10 0 CGAERO CSc1ccc(NC(=O)[C@@H](C[NH3+])c2ccccc2)cc1 ZINC000061610710 137929661 /nfs/dbraw/zinc/92/96/61/137929661.db2.gz DWNNRVYFNWZLRS-HNNXBMFYSA-N 1 0 286.400 3.090 10 0 CGAERO CO[C@H](c1noc([C@H]2CCC[N@@H+]2C2CCCC2)n1)C1CC1 ZINC000328887365 202098748 /nfs/dbraw/zinc/09/87/48/202098748.db2.gz PJXQOITZFNMBEW-KGLIPLIRSA-N 1 0 291.395 3.247 10 0 CGAERO C[C@@H]([NH2+]CC1CCC(C)CC1)c1nnc2ccccn21 ZINC000089575857 138343359 /nfs/dbraw/zinc/34/33/59/138343359.db2.gz GFSMZMCLUHXBEY-ROKHWSDSSA-N 1 0 272.396 3.206 10 0 CGAERO Cc1ccc([C@@H](C)[NH2+]Cc2cc(C(N)=O)cs2)c(C)c1 ZINC000093687262 138348230 /nfs/dbraw/zinc/34/82/30/138348230.db2.gz ACXJHMWQHAJFJK-GFCCVEGCSA-N 1 0 288.416 3.315 10 0 CGAERO C[C@H]1CCC[C@@H]([N@H+](C)Cc2nc(-c3ccoc3)no2)C1 ZINC000105608037 138352361 /nfs/dbraw/zinc/35/23/61/138352361.db2.gz HWIYCXHUXPSJIP-WCQYABFASA-N 1 0 275.352 3.340 10 0 CGAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3ccccc3C)C2)n1 ZINC000105884612 138353391 /nfs/dbraw/zinc/35/33/91/138353391.db2.gz XUGMNPXZWYVYLE-QGZVFWFLSA-N 1 0 298.434 3.116 10 0 CGAERO CC(C)CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106903551 138356283 /nfs/dbraw/zinc/35/62/83/138356283.db2.gz QTTCFODJXSHYMW-NVXWUHKLSA-N 1 0 290.451 3.100 10 0 CGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](C)c1ccccc1F ZINC000108991153 138361533 /nfs/dbraw/zinc/36/15/33/138361533.db2.gz CUGNSHBGMFTQMS-UONOGXRCSA-N 1 0 294.414 3.022 10 0 CGAERO c1cnn([C@H]2CCCC[C@@H]2[NH2+]Cc2nc3ccccc3o2)c1 ZINC000128521536 138393710 /nfs/dbraw/zinc/39/37/10/138393710.db2.gz LEVFPXWRYJEOGN-ZFWWWQNUSA-N 1 0 296.374 3.298 10 0 CGAERO Cc1csc(C2CC[NH+](Cc3cc(C)no3)CC2)n1 ZINC000195319993 138489957 /nfs/dbraw/zinc/48/99/57/138489957.db2.gz 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264.457 3.275 10 0 CGAERO CCCC[C@@H]([NH2+]CCN(C)C)c1ccc(F)cc1 ZINC000020083661 170987185 /nfs/dbraw/zinc/98/71/85/170987185.db2.gz WEGHDPCUUWCIOO-OAHLLOKOSA-N 1 0 252.377 3.208 10 0 CGAERO C[C@H]([NH2+]Cc1cccc2cccnc21)c1ccncc1 ZINC000020121684 171001366 /nfs/dbraw/zinc/00/13/66/171001366.db2.gz NUNXLAPMBQPTCK-ZDUSSCGKSA-N 1 0 263.344 3.481 10 0 CGAERO CCCCCOc1ccc(C[NH2+]CCCOC)cc1 ZINC000020142851 171028264 /nfs/dbraw/zinc/02/82/64/171028264.db2.gz FHDQWSSKSMEENR-UHFFFAOYSA-N 1 0 265.397 3.382 10 0 CGAERO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCO2)cc1F ZINC000020177183 171042803 /nfs/dbraw/zinc/04/28/03/171042803.db2.gz ZOLQUXHIKZPALC-WCQYABFASA-N 1 0 267.344 3.054 10 0 CGAERO CCCC[C@@H]([NH2+][C@H](CC)CO)c1ccc(F)cc1 ZINC000020196056 171061268 /nfs/dbraw/zinc/06/12/68/171061268.db2.gz LOYOCTFJVRJSFN-HUUCEWRRSA-N 1 0 253.361 3.418 10 0 CGAERO C[C@H]([NH2+]C(C)(C)CO)c1ccc(Cl)c(Cl)c1 ZINC000020196812 171061491 /nfs/dbraw/zinc/06/14/91/171061491.db2.gz KEQGUOAPABEBIB-QMMMGPOBSA-N 1 0 262.180 3.415 10 0 CGAERO Cc1ccc([C@H](C[NH3+])N(C)Cc2ccc(F)cc2)cc1 ZINC000020225550 171088329 /nfs/dbraw/zinc/08/83/29/171088329.db2.gz IJLALTWTFPVGKG-KRWDZBQOSA-N 1 0 272.367 3.266 10 0 CGAERO Cc1ccccc1[C@@H](CN)[N@H+](C)CCc1ccccc1 ZINC000020225471 171088681 /nfs/dbraw/zinc/08/86/81/171088681.db2.gz KIULNOHISOHDIA-GOSISDBHSA-N 1 0 268.404 3.169 10 0 CGAERO Cc1ccccc1[C@@H](C[NH3+])N(C)Cc1ccccc1F ZINC000020225437 171088704 /nfs/dbraw/zinc/08/87/04/171088704.db2.gz OJPJAKIFEDLTIA-QGZVFWFLSA-N 1 0 272.367 3.266 10 0 CGAERO CCCOc1cccc([C@@H](C[NH3+])N(C)CC(C)(C)C)c1 ZINC000020226620 171090962 /nfs/dbraw/zinc/09/09/62/171090962.db2.gz UAIJUHPTCKSNET-MRXNPFEDSA-N 1 0 278.440 3.453 10 0 CGAERO CC(C)CC(=O)N(CCC[NH3+])c1cccc(Cl)c1 ZINC000020233390 171095119 /nfs/dbraw/zinc/09/51/19/171095119.db2.gz HLCQSWUHQYDRPA-UHFFFAOYSA-N 1 0 268.788 3.068 10 0 CGAERO CC(C)CC(=O)N(CCC[NH3+])c1ccc(Cl)cc1 ZINC000020233462 171095403 /nfs/dbraw/zinc/09/54/03/171095403.db2.gz IHTVELIKYGUIKE-UHFFFAOYSA-N 1 0 268.788 3.068 10 0 CGAERO [NH3+]C[C@@H](c1c(Cl)cccc1Cl)N1CCSCC1 ZINC000020257153 171111667 /nfs/dbraw/zinc/11/16/67/171111667.db2.gz QGIBKZWHHWIJOX-NSHDSACASA-N 1 0 291.247 3.042 10 0 CGAERO CCc1ccc([C@H]([NH3+])Cn2ccnc2C(C)C)cc1 ZINC000020261779 171119179 /nfs/dbraw/zinc/11/91/79/171119179.db2.gz STFLWCPHAMXSFB-OAHLLOKOSA-N 1 0 257.381 3.269 10 0 CGAERO CC(C)C[C@@](C)(C[NH3+])N(C)Cc1cccc(F)c1 ZINC000020266490 171123646 /nfs/dbraw/zinc/12/36/46/171123646.db2.gz PPKWUZCUMIITDX-HNNXBMFYSA-N 1 0 252.377 3.021 10 0 CGAERO Cc1ccccc1-n1cc(C[NH3+])c(-c2ccccc2)n1 ZINC000020390765 171179311 /nfs/dbraw/zinc/17/93/11/171179311.db2.gz OTHRULIRLGMURN-UHFFFAOYSA-N 1 0 263.344 3.306 10 0 CGAERO Clc1cc2nc([C@@H]3CCC[NH2+]3)[nH]c2cc1Cl ZINC000020398322 171181933 /nfs/dbraw/zinc/18/19/33/171181933.db2.gz JWQMBRKCGRMORL-QMMMGPOBSA-N 1 0 256.136 3.294 10 0 CGAERO Clc1ccc(N[C@H]2C[NH+]3CCC2CC3)c(Cl)c1 ZINC000020440471 171203751 /nfs/dbraw/zinc/20/37/51/171203751.db2.gz UJUNASULHOUQSR-ZDUSSCGKSA-N 1 0 271.191 3.500 10 0 CGAERO Fc1cc(Br)ccc1N[C@@H]1C[NH+]2CCC1CC2 ZINC000020440588 171204191 /nfs/dbraw/zinc/20/41/91/171204191.db2.gz AXXLSDBNFKDPRB-CYBMUJFWSA-N 1 0 299.187 3.094 10 0 CGAERO [NH3+]Cc1c(Cl)cccc1-n1cnc2ccccc21 ZINC000020469828 171211563 /nfs/dbraw/zinc/21/15/63/171211563.db2.gz PXQWMEPGPGECPM-UHFFFAOYSA-N 1 0 257.724 3.138 10 0 CGAERO CCOc1ccc([C@H]([NH3+])COC(C)(C)CC)cc1 ZINC000020511779 171231299 /nfs/dbraw/zinc/23/12/99/171231299.db2.gz OYROOEPSPVPNAC-CQSZACIVSA-N 1 0 251.370 3.290 10 0 CGAERO C[C@H]([NH3+])[C@@H]1C[C@@H]1c1ccc(F)c(Br)c1 ZINC000020594571 171263575 /nfs/dbraw/zinc/26/35/75/171263575.db2.gz TUIRCFAMGFAVKY-CNUIFLNQSA-N 1 0 258.134 3.039 10 0 CGAERO CCCOc1ccc(Cl)cc1C[NH2+]CCCCCO ZINC000020929099 171281128 /nfs/dbraw/zinc/28/11/28/171281128.db2.gz OWMWJEQOVSXNME-UHFFFAOYSA-N 1 0 285.815 3.381 10 0 CGAERO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000021720934 171320638 /nfs/dbraw/zinc/32/06/38/171320638.db2.gz YZZUJWFDLDMEBG-CQSZACIVSA-N 1 0 271.364 3.278 10 0 CGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)N1CCOCC1 ZINC000021791512 171324335 /nfs/dbraw/zinc/32/43/35/171324335.db2.gz QBYQQHSFRIXGSA-IKGGRYGDSA-N 1 0 296.499 3.148 10 0 CGAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CC(C)(C)N1CCOCC1 ZINC000021813761 171330778 /nfs/dbraw/zinc/33/07/78/171330778.db2.gz BAACGLOTVCIXMU-HZPDHXFCSA-N 1 0 296.499 3.292 10 0 CGAERO C[C@@H]([NH2+]CCN(C)C)c1ccc2c(c1)Cc1ccccc1-2 ZINC000022144651 171356309 /nfs/dbraw/zinc/35/63/09/171356309.db2.gz JRGLMYZAOYZYBI-CQSZACIVSA-N 1 0 280.415 3.470 10 0 CGAERO CCC[NH+](CCC)CCCC(=O)Nc1cc(N)ccc1F ZINC000022156421 171362688 /nfs/dbraw/zinc/36/26/88/171362688.db2.gz BCSAAMNGXAJSCK-UHFFFAOYSA-N 1 0 295.402 3.249 10 0 CGAERO CN([C@@H](C[NH3+])c1ccc(F)c(F)c1)C1CCCCC1 ZINC000022170515 171367791 /nfs/dbraw/zinc/36/77/91/171367791.db2.gz KKDXQZXOJWRPEW-HNNXBMFYSA-N 1 0 268.351 3.229 10 0 CGAERO CN(C)[C@@H](C[NH3+])c1cccc(Oc2ccccc2)c1 ZINC000022210175 171372889 /nfs/dbraw/zinc/37/28/89/171372889.db2.gz LBKOFPGWSIUVKN-INIZCTEOSA-N 1 0 256.349 3.040 10 0 CGAERO [NH3+]C[C@@H](c1ccc2ccccc2c1)N1CCCCC1 ZINC000022218802 171376906 /nfs/dbraw/zinc/37/69/06/171376906.db2.gz UEHDFGODAVPFEN-KRWDZBQOSA-N 1 0 254.377 3.326 10 0 CGAERO COc1ccc([C@@H](N)[C@H](C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000022563515 171391493 /nfs/dbraw/zinc/39/14/93/171391493.db2.gz SOFHGKGWRWJUEO-LOUJCGABSA-N 1 0 276.424 3.061 10 0 CGAERO CC[NH2+]C[C@H](O)c1ccc(Oc2ccccc2)cc1 ZINC000032110237 171702696 /nfs/dbraw/zinc/70/26/96/171702696.db2.gz LSXWNZJZIIBIRI-INIZCTEOSA-N 1 0 257.333 3.122 10 0 CGAERO CCC[NH+](CCC)[C@H](C)C(=O)c1ccc(OC)cc1 ZINC000035022058 171940960 /nfs/dbraw/zinc/94/09/60/171940960.db2.gz FIXXRXKBHGAFBN-CYBMUJFWSA-N 1 0 263.381 3.388 10 0 CGAERO CC(C)CCNC(=O)[C@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC000035221876 172064671 /nfs/dbraw/zinc/06/46/71/172064671.db2.gz UDPSRGCFKPPWAV-YOEHRIQHSA-N 1 0 288.435 3.204 10 0 CGAERO FC(F)(F)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccncc1 ZINC000035258117 172089410 /nfs/dbraw/zinc/08/94/10/172089410.db2.gz DFXGRPIYAOYIPV-RYUDHWBXSA-N 1 0 258.287 3.292 10 0 CGAERO FC(F)(F)CO[C@H]1CCC[C@@H]([NH2+]C2CCCC2)C1 ZINC000035273374 172093728 /nfs/dbraw/zinc/09/37/28/172093728.db2.gz AUMSFOFWNWJTCZ-NEPJUHHUSA-N 1 0 265.319 3.409 10 0 CGAERO CC[NH2+][C@H](C)c1c(F)cccc1SCCOC ZINC000035322037 172125118 /nfs/dbraw/zinc/12/51/18/172125118.db2.gz PJMDMSHHMUYNFO-SNVBAGLBSA-N 1 0 257.374 3.235 10 0 CGAERO CCC[C@H](C)[C@@H]([NH3+])c1cc2c(cc1F)NC(=O)CC2 ZINC000035359643 172150198 /nfs/dbraw/zinc/15/01/98/172150198.db2.gz QTNWTSUQVWAFMY-BJOHPYRUSA-N 1 0 264.344 3.146 10 0 CGAERO [NH3+][C@@H](c1ccsc1)c1ccc2c(c1)CCCC(=O)N2 ZINC000035382293 172164803 /nfs/dbraw/zinc/16/48/03/172164803.db2.gz BMLTYYPPJRTHRD-OAHLLOKOSA-N 1 0 272.373 3.071 10 0 CGAERO Cc1ccsc1[C@@H]([NH3+])c1cc2c(cc1Cl)NC(=O)C2 ZINC000035382681 172165328 /nfs/dbraw/zinc/16/53/28/172165328.db2.gz NVAWNNQQHZMAIT-ZDUSSCGKSA-N 1 0 292.791 3.253 10 0 CGAERO CCC(CC)[C@@H]([NH2+]C)c1cc(OC)ccc1OC ZINC000035466790 172214475 /nfs/dbraw/zinc/21/44/75/172214475.db2.gz QIQIWUVDQGVTJV-OAHLLOKOSA-N 1 0 251.370 3.401 10 0 CGAERO C[NH2+][C@H](c1cccs1)c1cc(OC)ccc1OC ZINC000035466620 172214530 /nfs/dbraw/zinc/21/45/30/172214530.db2.gz HZKPGMHWDGOHNX-AWEZNQCLSA-N 1 0 263.362 3.074 10 0 CGAERO C[NH2+][C@H](c1cccs1)c1ccc(OC)cc1OC ZINC000035488084 172223335 /nfs/dbraw/zinc/22/33/35/172223335.db2.gz YUITTYZRITZERU-AWEZNQCLSA-N 1 0 263.362 3.074 10 0 CGAERO CCC[C@H](C)[C@@H]([NH2+]C)c1ccc(OC)cc1OC ZINC000035488821 172224020 /nfs/dbraw/zinc/22/40/20/172224020.db2.gz GPTKLFDPESUGMF-XHDPSFHLSA-N 1 0 251.370 3.401 10 0 CGAERO C[NH2+][C@H](c1ccc2c(c1)CC(=O)N2)C1CCCCC1 ZINC000035495823 172228699 /nfs/dbraw/zinc/22/86/99/172228699.db2.gz LGFYDIYWDVYBRH-INIZCTEOSA-N 1 0 258.365 3.022 10 0 CGAERO C[NH2+][C@@H](c1cnn(C)c1)c1ccc(Cl)cc1Cl ZINC000035499996 172233832 /nfs/dbraw/zinc/23/38/32/172233832.db2.gz CHZRFGMQFSMDFM-LBPRGKRZSA-N 1 0 270.163 3.036 10 0 CGAERO CC[NH2+][C@H](c1ccc(OC)cc1OC)C(C)(C)C ZINC000035546018 172254510 /nfs/dbraw/zinc/25/45/10/172254510.db2.gz HMXSUVKEVNVAPX-CQSZACIVSA-N 1 0 251.370 3.401 10 0 CGAERO CC[NH2+][C@@H](Cc1ncc[nH]1)c1ccc(Br)cc1 ZINC000035570411 172266451 /nfs/dbraw/zinc/26/64/51/172266451.db2.gz MBJGBDQUTZMQMR-LBPRGKRZSA-N 1 0 294.196 3.066 10 0 CGAERO CCC[C@H]([NH2+]CC)c1cc2c(cc1Cl)NC(=O)C2 ZINC000035571937 172267898 /nfs/dbraw/zinc/26/78/98/172267898.db2.gz FOLYZTGOGZOXRR-LBPRGKRZSA-N 1 0 266.772 3.285 10 0 CGAERO CCC[NH2+][C@H](c1ccc(F)c(F)c1)[C@H]1CCCO1 ZINC000035582486 172280322 /nfs/dbraw/zinc/28/03/22/172280322.db2.gz TUEYIOZCTADSNS-ZIAGYGMSSA-N 1 0 255.308 3.185 10 0 CGAERO CCC[NH2+][C@H](Cc1ncc[nH]1)c1ccc(C)c(C)c1 ZINC000035586648 172285567 /nfs/dbraw/zinc/28/55/67/172285567.db2.gz LOMIHFBEHQNGOX-OAHLLOKOSA-N 1 0 257.381 3.310 10 0 CGAERO CC(C)(C)OC(=O)N[C@@H](CC[NH3+])c1ccc(Cl)cc1 ZINC000035629913 172311058 /nfs/dbraw/zinc/31/10/58/172311058.db2.gz ASWDIABJPCJCQT-LBPRGKRZSA-N 1 0 284.787 3.255 10 0 CGAERO [NH3+]Cc1cc(Cl)cc(Cl)c1OCc1ccncc1 ZINC000035661857 172339314 /nfs/dbraw/zinc/33/93/14/172339314.db2.gz KRZSBMTUCXDUQM-UHFFFAOYSA-N 1 0 283.158 3.426 10 0 CGAERO Cc1ccc(Oc2ccc(C[NH3+])cn2)c(Br)c1 ZINC000035719853 172374138 /nfs/dbraw/zinc/37/41/38/172374138.db2.gz XNTSECGRMYAQSN-UHFFFAOYSA-N 1 0 293.164 3.404 10 0 CGAERO [NH3+]Cc1cccnc1Sc1ccc(Br)cc1 ZINC000035719897 172374992 /nfs/dbraw/zinc/37/49/92/172374992.db2.gz ABVJSNHATDFLNA-UHFFFAOYSA-N 1 0 295.205 3.454 10 0 CGAERO CC(C)(C)[C@@H]1CC[C@H](C[NH3+])[C@H](Sc2nncs2)C1 ZINC000035724583 172379169 /nfs/dbraw/zinc/37/91/69/172379169.db2.gz WLVRZBCGAKJBMD-GMTAPVOTSA-N 1 0 285.482 3.420 10 0 CGAERO COc1ccc(S[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000035723803 172379225 /nfs/dbraw/zinc/37/92/25/172379225.db2.gz UTHBVTNHNIJQDH-SMDDNHRTSA-N 1 0 251.395 3.305 10 0 CGAERO COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccco2)ccc1O ZINC000035738865 172392379 /nfs/dbraw/zinc/39/23/79/172392379.db2.gz QFRLJHAEXOBUGI-MNOVXSKESA-N 1 0 261.321 3.406 10 0 CGAERO C[NH2+]Cc1cccc(NC(=O)c2cc(Cl)c(Cl)[nH]2)c1 ZINC000036282728 172575155 /nfs/dbraw/zinc/57/51/55/172575155.db2.gz ALCQAGBSKDFUHB-UHFFFAOYSA-N 1 0 298.173 3.293 10 0 CGAERO Cc1ccc(C)c(Oc2cc(C(N)=[NH2+])ccn2)c1C ZINC000036962328 172831378 /nfs/dbraw/zinc/83/13/78/172831378.db2.gz PALKKPYSXDGEPG-UHFFFAOYSA-N 1 0 255.321 3.083 10 0 CGAERO [NH3+]C[C@H](Oc1cccc2ccccc21)C(F)(F)F ZINC000037169993 173004108 /nfs/dbraw/zinc/00/41/08/173004108.db2.gz DHQUJPQLSHUMNL-LBPRGKRZSA-N 1 0 255.239 3.108 10 0 CGAERO CC[C@H](C)C[N@H+](C)CCCOc1cccc(N)c1 ZINC000037172189 173005322 /nfs/dbraw/zinc/00/53/22/173005322.db2.gz SNHZIZNPVISISG-ZDUSSCGKSA-N 1 0 250.386 3.016 10 0 CGAERO C[C@@H]1CCC[C@@H](OC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000037222981 173043107 /nfs/dbraw/zinc/04/31/07/173043107.db2.gz DQKZWMWFSGMBLB-BXUZGUMPSA-N 1 0 262.353 3.273 10 0 CGAERO [NH3+]C[C@H](c1cc(F)ccc1F)N1CCCCCCC1 ZINC000037233568 173052089 /nfs/dbraw/zinc/05/20/89/173052089.db2.gz GYDAWSKPDAHUNK-OAHLLOKOSA-N 1 0 268.351 3.231 10 0 CGAERO C[C@H]([NH2+]CC1CCCC1)c1ccc(NC(N)=O)cc1 ZINC000037255025 173065843 /nfs/dbraw/zinc/06/58/43/173065843.db2.gz BSYAVDSMLPCMPO-NSHDSACASA-N 1 0 261.369 3.018 10 0 CGAERO CC[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1)C(C)C ZINC000037295821 173100266 /nfs/dbraw/zinc/10/02/66/173100266.db2.gz KJSDXBJWQXBFPK-IRXDYDNUSA-N 1 0 260.425 3.285 10 0 CGAERO CO[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000037303475 173108706 /nfs/dbraw/zinc/10/87/06/173108706.db2.gz RLLZMDDTCMAXKA-FMKPAKJESA-N 1 0 261.365 3.057 10 0 CGAERO O[C@@H](c1ccc(-c2ccccc2)cc1)C1CC[NH2+]CC1 ZINC000037327941 173128849 /nfs/dbraw/zinc/12/88/49/173128849.db2.gz DDTLWEPSJWIQEW-SFHVURJKSA-N 1 0 267.372 3.387 10 0 CGAERO Clc1cccc2nc([C@@H]3CCC[NH2+]C3)n(C3CC3)c21 ZINC000037444365 173212133 /nfs/dbraw/zinc/21/21/33/173212133.db2.gz MDHDYVFSYLPJRR-SNVBAGLBSA-N 1 0 275.783 3.492 10 0 CGAERO [NH3+][C@H](Cc1cccc(Br)c1)c1cccnc1 ZINC000037466388 173226838 /nfs/dbraw/zinc/22/68/38/173226838.db2.gz HXNVKYUFKTZJFJ-CYBMUJFWSA-N 1 0 277.165 3.087 10 0 CGAERO COc1ccc([C@](C)([NH3+])Cc2ccccc2F)cc1 ZINC000037531492 173253493 /nfs/dbraw/zinc/25/34/93/173253493.db2.gz SIMXVCIUJFYBTD-MRXNPFEDSA-N 1 0 259.324 3.251 10 0 CGAERO CCCn1c2ccc(C)cc2nc1CC[NH2+]C1CC1 ZINC000037599623 173553084 /nfs/dbraw/zinc/55/30/84/173553084.db2.gz ZUPPXEAOXLFXLE-UHFFFAOYSA-N 1 0 257.381 3.049 10 0 CGAERO COc1ccc(NC(=O)CCC[NH2+]C(C)C)cc1Cl ZINC000037632293 173580799 /nfs/dbraw/zinc/58/07/99/173580799.db2.gz UZSQCUNUFHUOIO-UHFFFAOYSA-N 1 0 284.787 3.065 10 0 CGAERO CC[C@@H]([NH3+])Cc1cc(OC)ccc1O[C@H](C)CC ZINC000037722762 173641666 /nfs/dbraw/zinc/64/16/66/173641666.db2.gz YTJRRHGLNSFHOU-DGCLKSJQSA-N 1 0 251.370 3.152 10 0 CGAERO CCC[NH2+][C@H](C)c1cc(C)ccc1OCCCOC ZINC000037753528 173677328 /nfs/dbraw/zinc/67/73/28/173677328.db2.gz YMRAEKGGBJFUCT-CQSZACIVSA-N 1 0 265.397 3.471 10 0 CGAERO CCC[C@@H]([NH3+])C(=O)N(CCC(C)C)CCC(C)C ZINC000037804695 173745208 /nfs/dbraw/zinc/74/52/08/173745208.db2.gz JXGBWPMRTJZUNR-CQSZACIVSA-N 1 0 256.434 3.035 10 0 CGAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000037806487 173748297 /nfs/dbraw/zinc/74/82/97/173748297.db2.gz UUGQFIXYUUEGHM-UHIISALHSA-N 1 0 282.815 3.233 10 0 CGAERO C[C@@H]([NH2+]C[C@@H](O)COC1CCCC1)c1cccc(Cl)c1 ZINC000037975390 173929754 /nfs/dbraw/zinc/92/97/54/173929754.db2.gz DOKGJROLTFITCE-IUODEOHRSA-N 1 0 297.826 3.311 10 0 CGAERO C[C@H](CNc1ccc(Cl)cn1)[NH+]1CCCCC1 ZINC000038029303 174019779 /nfs/dbraw/zinc/01/97/79/174019779.db2.gz OMTZRPUCTSCFLZ-LLVKDONJSA-N 1 0 253.777 3.021 10 0 CGAERO [NH3+]CCN(Cc1ccccc1)c1nccc2sccc21 ZINC000038033138 174030827 /nfs/dbraw/zinc/03/08/27/174030827.db2.gz RUMPGOMWNGYVPR-UHFFFAOYSA-N 1 0 283.400 3.262 10 0 CGAERO c1ccc([C@@H]([NH2+]C[C@H]2CCCOC2)c2ccncc2)cc1 ZINC000038044703 174052645 /nfs/dbraw/zinc/05/26/45/174052645.db2.gz QVCMLCULNVZITJ-CRAIPNDOSA-N 1 0 282.387 3.187 10 0 CGAERO CC[C@@H](C)[C@H](C(=O)N[C@@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000038049354 174060661 /nfs/dbraw/zinc/06/06/61/174060661.db2.gz HNUARWLSZHIZOD-XBVQOTNRSA-N 1 0 288.435 3.202 10 0 CGAERO CC[NH2+][C@H](C)c1ccc(-n2cc(Cl)cn2)c(F)c1 ZINC000038053639 174065365 /nfs/dbraw/zinc/06/53/65/174065365.db2.gz NGCFNBYKFIVODI-SECBINFHSA-N 1 0 267.735 3.335 10 0 CGAERO CC(C)[NH2+]Cc1ccccc1-n1cc(Br)cn1 ZINC000038054637 174065829 /nfs/dbraw/zinc/06/58/29/174065829.db2.gz CIXRPFBDSWBQJN-UHFFFAOYSA-N 1 0 294.196 3.133 10 0 CGAERO Cc1ccc([C@H]([NH3+])c2ccc3c(c2)CCCO3)s1 ZINC000038057650 174067992 /nfs/dbraw/zinc/06/79/92/174067992.db2.gz FTNFRPUZXUXMIK-OAHLLOKOSA-N 1 0 259.374 3.430 10 0 CGAERO COc1cc(C[NH3+])c(-c2ccc(C)cc2)cc1OC ZINC000038070011 174081031 /nfs/dbraw/zinc/08/10/31/174081031.db2.gz AWHYCFUISGIDSC-UHFFFAOYSA-N 1 0 257.333 3.138 10 0 CGAERO COc1cc(C[NH3+])c(-c2ccccc2C)cc1OC ZINC000038070673 174081660 /nfs/dbraw/zinc/08/16/60/174081660.db2.gz LEDSKKQMBQKQTC-UHFFFAOYSA-N 1 0 257.333 3.138 10 0 CGAERO C[NH2+]Cc1cc(-c2cc(F)ccc2F)ccc1F ZINC000038072254 174082513 /nfs/dbraw/zinc/08/25/13/174082513.db2.gz YJBQKEXOUDPODZ-UHFFFAOYSA-N 1 0 251.251 3.490 10 0 CGAERO CC[NH2+][C@H](C)c1cccc(-c2c(C)nn(C)c2C)c1 ZINC000038073181 174083308 /nfs/dbraw/zinc/08/33/08/174083308.db2.gz BYTYONAYGUVKEL-LLVKDONJSA-N 1 0 257.381 3.374 10 0 CGAERO C[C@H](Cc1ccco1)[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000038092526 174106018 /nfs/dbraw/zinc/10/60/18/174106018.db2.gz ZFSIUWLTYMPAAX-IAQYHMDHSA-N 1 0 279.767 3.187 10 0 CGAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000038101394 174117328 /nfs/dbraw/zinc/11/73/28/174117328.db2.gz MTYDZICRZRWXFO-COPLHBTASA-N 1 0 282.815 3.233 10 0 CGAERO CC[NH2+][C@H](Cc1ccccc1OC)c1ccc(C)o1 ZINC000038135172 174133092 /nfs/dbraw/zinc/13/30/92/174133092.db2.gz GOMKCRRGANRZMF-CQSZACIVSA-N 1 0 259.349 3.490 10 0 CGAERO [NH3+][C@@H]1CCCC[C@@H]1c1cccc(Br)c1 ZINC000038264455 174138207 /nfs/dbraw/zinc/13/82/07/174138207.db2.gz LJNGVXWIRBFJAP-VXGBXAGGSA-N 1 0 254.171 3.434 10 0 CGAERO [NH3+]C[C@@H](c1ccc(Br)cc1)N1CCCCCC1 ZINC000038808930 174156191 /nfs/dbraw/zinc/15/61/91/174156191.db2.gz SDBCLAOTWVRMLB-AWEZNQCLSA-N 1 0 297.240 3.325 10 0 CGAERO COc1ccc(C[C@@H]2[NH2+]CCc3ccccc32)cc1OC ZINC000038888541 174158937 /nfs/dbraw/zinc/15/89/37/174158937.db2.gz OINUIVDXTPPAHH-INIZCTEOSA-N 1 0 283.371 3.133 10 0 CGAERO [NH3+][C@@H]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000042397798 174709366 /nfs/dbraw/zinc/70/93/66/174709366.db2.gz BMQARNAPCSZNJB-ZYHUDNBSSA-N 1 0 254.171 3.119 10 0 CGAERO [NH3+][C@@H]1CCCCCC[C@@H]1N(CC(F)(F)F)C1CC1 ZINC000042748924 174866384 /nfs/dbraw/zinc/86/63/84/174866384.db2.gz QBLSVXYDLUUGIM-NEPJUHHUSA-N 1 0 264.335 3.063 10 0 CGAERO COc1ccc(O[C@@H](c2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000042903374 174906581 /nfs/dbraw/zinc/90/65/81/174906581.db2.gz HTCWGBFLDOUFOI-MLGOLLRUSA-N 1 0 257.333 3.163 10 0 CGAERO C[C@H]1CCCC[C@@H]1O[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000042916566 174916432 /nfs/dbraw/zinc/91/64/32/174916432.db2.gz OQHURKWYUXHSOG-CQDKDKBSSA-N 1 0 251.345 3.421 10 0 CGAERO [NH3+]C[C@@H](OCCc1cccs1)c1ccc(F)cc1 ZINC000042942762 174918640 /nfs/dbraw/zinc/91/86/40/174918640.db2.gz GMECLIHCRLTIKK-CQSZACIVSA-N 1 0 265.353 3.146 10 0 CGAERO CC[C@H]([NH3+])[C@@H](OCC(F)(F)F)c1ccc(OC)cc1 ZINC000042962527 174927647 /nfs/dbraw/zinc/92/76/47/174927647.db2.gz JAIHHELPFVIXGJ-RYUDHWBXSA-N 1 0 277.286 3.053 10 0 CGAERO COc1cccc([C@H](OCc2cccs2)[C@@H](C)[NH3+])c1 ZINC000043031404 174948726 /nfs/dbraw/zinc/94/87/26/174948726.db2.gz MTSMHLNMJDXDAA-IAQYHMDHSA-N 1 0 277.389 3.362 10 0 CGAERO COc1ccccc1[C@@H](Oc1ccccc1)[C@@H](C)[NH3+] ZINC000043099222 174966959 /nfs/dbraw/zinc/96/69/59/174966959.db2.gz CMDCWYJPJVSYLC-WBMJQRKESA-N 1 0 257.333 3.163 10 0 CGAERO CC[C@H]([NH3+])[C@@H](OC[C@@H]1CCCCO1)c1cccs1 ZINC000043109742 174974083 /nfs/dbraw/zinc/97/40/83/174974083.db2.gz YAZCNDCRWLFJKR-SGMGOOAPSA-N 1 0 269.410 3.112 10 0 CGAERO CCN(Cc1ccccc1)C[C@H]1[NH2+]CCc2ccccc21 ZINC000043596004 175076482 /nfs/dbraw/zinc/07/64/82/175076482.db2.gz JDPQESCHGYPGHF-LJQANCHMSA-N 1 0 280.415 3.396 10 0 CGAERO 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255.361 3.465 10 0 CGAERO CC(C)Oc1ccc([C@@H](CC[NH3+])C2CC2)cc1F ZINC000071573376 176199694 /nfs/dbraw/zinc/19/96/94/176199694.db2.gz IUJFPCZFMIZCNZ-ZDUSSCGKSA-N 1 0 251.345 3.455 10 0 CGAERO CCOc1cc(C)c([C@H](O)[C@@H](C)[NH2+]C(C)C)cc1C ZINC000071597987 176221549 /nfs/dbraw/zinc/22/15/49/176221549.db2.gz BGCCHKGKFIAPSF-CZUORRHYSA-N 1 0 265.397 3.122 10 0 CGAERO Cc1c([C@H](C)[NH3+])cnn1-c1ccc(OC(F)(F)F)cc1 ZINC000072415955 176399800 /nfs/dbraw/zinc/39/98/00/176399800.db2.gz HZSLCYSNINANCF-QMMMGPOBSA-N 1 0 285.269 3.099 10 0 CGAERO Cc1cc(Cl)ccc1C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000128909615 287320491 /nfs/dbraw/zinc/32/04/91/287320491.db2.gz AYKABVLPQYPAQR-FZMZJTMJSA-N 1 0 253.773 3.306 10 0 CGAERO CC(C)(C[NH3+])C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000076565591 177039030 /nfs/dbraw/zinc/03/90/30/177039030.db2.gz SUHWLPKPBWCUQJ-UHFFFAOYSA-N 1 0 294.704 3.282 10 0 CGAERO Cc1cccc(CC[C@H](CC[NH3+])c2ccncc2)c1 ZINC000076658511 177047774 /nfs/dbraw/zinc/04/77/74/177047774.db2.gz QUEOALQOZJSZGA-MRXNPFEDSA-N 1 0 254.377 3.455 10 0 CGAERO Cc1ccccc1CC[C@H](CC[NH3+])c1cccnc1 ZINC000076658486 177047861 /nfs/dbraw/zinc/04/78/61/177047861.db2.gz YISDRLGODRROHC-MRXNPFEDSA-N 1 0 254.377 3.455 10 0 CGAERO COc1cccc(CC[C@H](C[NH3+])c2ccccc2)c1 ZINC000076660192 177048214 /nfs/dbraw/zinc/04/82/14/177048214.db2.gz GOJIKIHVRFKXEE-MRXNPFEDSA-N 1 0 255.361 3.370 10 0 CGAERO Cc1cccc(CC[C@H](CC[NH3+])c2cccn2C)c1 ZINC000076663322 177049861 /nfs/dbraw/zinc/04/98/61/177049861.db2.gz JGYNRTYRBOSJQE-MRXNPFEDSA-N 1 0 256.393 3.399 10 0 CGAERO CC(C)c1ccc(OC[C@H](C[NH3+])c2cc[nH]c2)cc1 ZINC000076667665 177051416 /nfs/dbraw/zinc/05/14/16/177051416.db2.gz NSFFLZGRDNMYIN-HNNXBMFYSA-N 1 0 258.365 3.259 10 0 CGAERO CC(C)c1ccc(OC[C@H](C[NH3+])c2ccc[nH]2)cc1 ZINC000076667633 177051638 /nfs/dbraw/zinc/05/16/38/177051638.db2.gz JNJJMCYJXJBSRU-AWEZNQCLSA-N 1 0 258.365 3.259 10 0 CGAERO CCc1ccc(OC[C@H](C[NH3+])c2cccs2)cc1 ZINC000076673130 177054521 /nfs/dbraw/zinc/05/45/21/177054521.db2.gz LTLBRLXNZKGNTL-ZDUSSCGKSA-N 1 0 261.390 3.432 10 0 CGAERO CC(C)c1ccccc1NC(=O)[C@H](CC[NH3+])C(C)C ZINC000076675562 177056012 /nfs/dbraw/zinc/05/60/12/177056012.db2.gz LTGKIAQLWSPYKK-CQSZACIVSA-N 1 0 262.397 3.370 10 0 CGAERO CC[C@@H](C[NH3+])CC(=O)Nc1c(C)cccc1C(C)C ZINC000076675768 177056041 /nfs/dbraw/zinc/05/60/41/177056041.db2.gz MQTMXFWZQZZQBI-CYBMUJFWSA-N 1 0 262.397 3.432 10 0 CGAERO COc1cc(C)c([C@@H](CC[NH3+])C2CCC2)c(OC)c1 ZINC000076678626 177056780 /nfs/dbraw/zinc/05/67/80/177056780.db2.gz BDJKHMLRXMEQFQ-AWEZNQCLSA-N 1 0 263.381 3.245 10 0 CGAERO CC1(C)CC[C@@]2(CCCN(Cc3ccccc3)C2)[NH2+]1 ZINC000076697637 177060793 /nfs/dbraw/zinc/06/07/93/177060793.db2.gz YGGYPJDHPPWODR-QGZVFWFLSA-N 1 0 258.409 3.183 10 0 CGAERO CC1(C)CC[NH2+][C@H]2CCCN(Cc3ccccc3)[C@@H]21 ZINC000076697518 177061077 /nfs/dbraw/zinc/06/10/77/177061077.db2.gz YHEVCQKICFAAOX-HOTGVXAUSA-N 1 0 258.409 3.039 10 0 CGAERO CC(C)C[C@H](CC[NH3+])C(=O)Nc1ccc(Cl)cc1 ZINC000076705911 177065327 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/nfs/dbraw/zinc/12/53/64/177125364.db2.gz KILZTBNTZOHJEB-JTQLQIEISA-N 1 0 299.212 3.071 10 0 CGAERO CC(C)Oc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000077204348 177233339 /nfs/dbraw/zinc/23/33/39/177233339.db2.gz BKFFMFVBCQVTJA-RDJZCZTQSA-N 1 0 277.408 3.115 10 0 CGAERO COc1ccc(C[C@H](C)C[NH2+]C2CC2)cc1Cl ZINC000077607278 177283868 /nfs/dbraw/zinc/28/38/68/177283868.db2.gz ZOQUFQRPTKCGKM-JTQLQIEISA-N 1 0 253.773 3.279 10 0 CGAERO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)C(C)C ZINC000078585403 177356436 /nfs/dbraw/zinc/35/64/36/177356436.db2.gz LPMADJFKZSRBJJ-OLZOCXBDSA-N 1 0 278.396 3.046 10 0 CGAERO C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CCC[C@H](O)C1 ZINC000310912963 416531435 /nfs/dbraw/zinc/53/14/35/416531435.db2.gz YOEGCSHUKJPCDG-ZFWWWQNUSA-N 1 0 267.800 3.323 10 0 CGAERO CCn1nccc1C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000125175571 416507250 /nfs/dbraw/zinc/50/72/50/416507250.db2.gz QWGUAMHDWKXBQH-NWDGAFQWSA-N 1 0 275.318 3.114 10 0 CGAERO CC(C)(CCc1ccccc1)NC(=O)C1CCC([NH3+])CC1 ZINC000133289932 416516670 /nfs/dbraw/zinc/51/66/70/416516670.db2.gz HVDGMAPASLGDSX-UHFFFAOYSA-N 1 0 288.435 3.032 10 0 CGAERO O[C@@H]1CCC[C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000681006814 543755977 /nfs/dbraw/zinc/75/59/77/543755977.db2.gz CPLLSHJEYDAYBV-IFWUJCSASA-N 1 0 279.346 3.248 10 0 CGAERO COCc1nc(C[NH2+]CC2C(C)(C)C2(C)C)cs1 ZINC000684429504 543999291 /nfs/dbraw/zinc/99/92/91/543999291.db2.gz KPCUYONDCQXBTN-UHFFFAOYSA-N 1 0 268.426 3.061 10 0 CGAERO CC(C)(C)OC(=O)[C@]1(C[NH3+])CCCC(C)(C)CC1 ZINC000725245845 544112695 /nfs/dbraw/zinc/11/26/95/544112695.db2.gz XXLIOCDUOOCEQA-OAHLLOKOSA-N 1 0 255.402 3.264 10 0 CGAERO CC(C)(C)C[C@H]1C[NH2+][C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000725255400 544113403 /nfs/dbraw/zinc/11/34/03/544113403.db2.gz AONKKCSGZFHZDE-CXAGYDPISA-N 1 0 296.455 3.412 10 0 CGAERO CCC[C@@H](C)C(=O)N1c2ccccc2CCC[C@H]1C[NH3+] ZINC000725262603 544113909 /nfs/dbraw/zinc/11/39/09/544113909.db2.gz IUTJNMPWHOXMID-HIFRSBDPSA-N 1 0 274.408 3.119 10 0 CGAERO CN(C(=O)[C@H]1CC[C@H]([NH3+])C1)C1CC(C)(C)CC(C)(C)C1 ZINC000659346374 418979257 /nfs/dbraw/zinc/97/92/57/418979257.db2.gz CODCBUAMOCUENM-STQMWFEESA-N 1 0 280.456 3.177 10 0 CGAERO C[C@@H]([NH2+]CC1(O)CCSCC1)c1ccccc1Cl ZINC000660406573 419137266 /nfs/dbraw/zinc/13/72/66/419137266.db2.gz WPQIZQCBIKCGCG-LLVKDONJSA-N 1 0 285.840 3.249 10 0 CGAERO CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(F)c(F)c2)CO1 ZINC000657286679 419243117 /nfs/dbraw/zinc/24/31/17/419243117.db2.gz QHPYIZMGPLSFQS-YUSALJHKSA-N 1 0 255.308 3.183 10 0 CGAERO Cc1c[nH]c(C[NH2+][C@H]2CC[C@H](C)c3ccccc32)n1 ZINC000657415605 419273329 /nfs/dbraw/zinc/27/33/29/419273329.db2.gz MIZBFXZHAYBSJJ-NHYWBVRUSA-N 1 0 255.365 3.446 10 0 CGAERO Cc1nc([C@H](C)[NH2+][C@H]2CCCSCC2)cs1 ZINC000657878805 419402394 /nfs/dbraw/zinc/40/23/94/419402394.db2.gz HOBSHHIHXSZNOV-ONGXEEELSA-N 1 0 256.440 3.388 10 0 CGAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)C1 ZINC000191198661 287589098 /nfs/dbraw/zinc/58/90/98/287589098.db2.gz NPTLFWXRPCFYIU-DZGCQCFKSA-N 1 0 292.471 3.081 10 0 CGAERO CNC(=O)[C@H]([NH2+]CC[C@H](C)CCC=C(C)C)C(C)C ZINC000193305081 287607490 /nfs/dbraw/zinc/60/74/90/287607490.db2.gz CDHVSMNFAMJKGE-HUUCEWRRSA-N 1 0 268.445 3.119 10 0 CGAERO CCC[C@H]1C[C@@H]1[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000226329971 287634570 /nfs/dbraw/zinc/63/45/70/287634570.db2.gz DTQDQNTUMBBCDC-JSGCOSHPSA-N 1 0 282.428 3.164 10 0 CGAERO Cc1cc(C)c(C[NH2+][C@H]2CCCC[C@H]2CO)cc1C ZINC000219021119 270085725 /nfs/dbraw/zinc/08/57/25/270085725.db2.gz NRBGXWQCSCYUBC-RDJZCZTQSA-N 1 0 261.409 3.253 10 0 CGAERO O[C@]12CCCC[C@H]1C[N@H+](CC1CCCCC1)CC2 ZINC000220404108 270085978 /nfs/dbraw/zinc/08/59/78/270085978.db2.gz LZAKJYHEOAVLFT-HOTGVXAUSA-N 1 0 251.414 3.194 10 0 CGAERO CCCc1ccc([C@H](C)[NH2+]C[C@H]2CCCN2C)cc1 ZINC000222697131 270086337 /nfs/dbraw/zinc/08/63/37/270086337.db2.gz WKGKMWOHWFQRLC-WMLDXEAASA-N 1 0 260.425 3.384 10 0 CGAERO COc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2C[C@@H]2C)cc1OC ZINC000321971012 270093472 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ZINC000057354239 277286763 /nfs/dbraw/zinc/28/67/63/277286763.db2.gz KSDSEDIIJNHJJS-UHFFFAOYSA-N 1 0 269.698 3.030 10 0 CGAERO CO[C@]1(C)CCC[N@H+](C[C@@H]2CCCC2(F)F)CC1 ZINC000334620234 277358709 /nfs/dbraw/zinc/35/87/09/277358709.db2.gz ODJNXKBOWHVJLI-QWHCGFSZSA-N 1 0 261.356 3.313 10 0 CGAERO CC(C)C[N@@H+]1CCC[C@@H]1CN[C@@H](C)c1ccco1 ZINC000090773347 277394090 /nfs/dbraw/zinc/39/40/90/277394090.db2.gz HBEIXOWAWLNOOO-UONOGXRCSA-N 1 0 250.386 3.051 10 0 CGAERO C[C@H](N[C@H]1CCC[NH2+][C@@H]1C)c1cccc(Cl)c1 ZINC000396673364 288015304 /nfs/dbraw/zinc/01/53/04/288015304.db2.gz RPGWOPBTTIAGLC-WDMOLILDSA-N 1 0 252.789 3.131 10 0 CGAERO C[C@@H](Cn1cccn1)[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000128959155 278301073 /nfs/dbraw/zinc/30/10/73/278301073.db2.gz VUOONFYQQFJZFU-ZFWWWQNUSA-N 1 0 285.391 3.164 10 0 CGAERO CC(C)(C)OC[C@@H](O)C[NH2+][C@H]1CCCCC12CCCC2 ZINC000312803365 278467225 /nfs/dbraw/zinc/46/72/25/278467225.db2.gz RPBOXRFATKJVOL-GJZGRUSLSA-N 1 0 283.456 3.255 10 0 CGAERO 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KEEGQSXKDNCKPR-HIFRSBDPSA-N 1 0 272.392 3.263 10 0 CGAERO COc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000247196556 295399646 /nfs/dbraw/zinc/39/96/46/295399646.db2.gz URYPQOCHAOWVTR-MKVSYHDVSA-N 1 0 275.392 3.303 10 0 CGAERO Cc1cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2CO)cs1 ZINC000294191604 301418853 /nfs/dbraw/zinc/41/88/53/301418853.db2.gz LAXYUZPCHZMJOJ-SGMGOOAPSA-N 1 0 253.411 3.258 10 0 CGAERO CCC[C@@H](C(=O)N[C@@H](C)c1cc(C)cc(C)c1)[NH+](C)C ZINC000162046001 321877129 /nfs/dbraw/zinc/87/71/29/321877129.db2.gz LICNLWUXLTWUMF-HOCLYGCPSA-N 1 0 276.424 3.211 10 0 CGAERO C[C@@H](c1ccccc1F)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195507552 336055369 /nfs/dbraw/zinc/05/53/69/336055369.db2.gz ZVOPHLXRIBJXJP-LBPRGKRZSA-N 1 0 273.355 3.489 10 0 CGAERO O[C@]12CCCC[C@H]1C[N@H+](C[C@@H]1CCCCC1(F)F)CC2 ZINC000381594867 336069216 /nfs/dbraw/zinc/06/92/16/336069216.db2.gz FFCHWDIHJSLAMY-KKUMJFAQSA-N 1 0 287.394 3.439 10 0 CGAERO Brc1cn(CC[NH2+]CC2CC2)c2ccccc12 ZINC000055310668 518229724 /nfs/dbraw/zinc/22/97/24/518229724.db2.gz QYRWWXWHPVNNPH-UHFFFAOYSA-N 1 0 293.208 3.403 10 0 CGAERO CC(C)C[NH2+]CCCn1cc(-c2ccccc2)cn1 ZINC000054962012 519743961 /nfs/dbraw/zinc/74/39/61/519743961.db2.gz JSJRPOOCMRZABQ-UHFFFAOYSA-N 1 0 257.381 3.186 10 0 CGAERO CC(C)[C@@H](C[NH+](C)C)Nc1ncc(Cl)cc1Cl ZINC000049218920 519794029 /nfs/dbraw/zinc/79/40/29/519794029.db2.gz NKAGTLAZRAYIBB-LLVKDONJSA-N 1 0 276.211 3.387 10 0 CGAERO CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1nc(C(C)C)cs1 ZINC000054629002 519912110 /nfs/dbraw/zinc/91/21/10/519912110.db2.gz BVAKURHHFJQQOK-YHWZYXNKSA-N 1 0 279.453 3.376 10 0 CGAERO CC[NH2+]C[C@H](CC)N(C)Cc1ccc(Cl)s1 ZINC000052508884 519970950 /nfs/dbraw/zinc/97/09/50/519970950.db2.gz BYVWNDBVGOVQQO-JTQLQIEISA-N 1 0 260.834 3.221 10 0 CGAERO CC[NH2+]Cc1nc(COc2ccc(C)cc2)cs1 ZINC000052649356 520021117 /nfs/dbraw/zinc/02/11/17/520021117.db2.gz YWKZTWADUJPELW-UHFFFAOYSA-N 1 0 262.378 3.140 10 0 CGAERO CCC[NH2+][C@@H]1CCC[C@H]1CN(CC(F)(F)F)C(C)C ZINC000053870716 520023478 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/nfs/dbraw/zinc/06/66/66/534066666.db2.gz GQCVVSAUZSGJBX-UKRRQHHQSA-N 1 0 267.800 3.289 10 0 CGAERO Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCCO2)c(Br)c1 ZINC000159287187 534087966 /nfs/dbraw/zinc/08/79/66/534087966.db2.gz JPNJDAUWBHTNHA-RISCZKNCSA-N 1 0 298.224 3.415 10 0 CGAERO C[C@@H](Cc1ccoc1)[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000449223308 534259878 /nfs/dbraw/zinc/25/98/78/534259878.db2.gz XQEYURHKUIQIKY-HNNXBMFYSA-N 1 0 299.418 3.386 10 0 CGAERO CC[C@H]1C[NH2+][C@H](C)CN1c1ccc(C)cc1Cl ZINC000083394306 536169505 /nfs/dbraw/zinc/16/95/05/536169505.db2.gz QTYDXLPNGXXTTM-NEPJUHHUSA-N 1 0 252.789 3.225 10 0 CGAERO Brc1csc(CCC[NH2+]C2CC2)c1 ZINC000052949425 518235824 /nfs/dbraw/zinc/23/58/24/518235824.db2.gz NDZWFADIPYXKAZ-UHFFFAOYSA-N 1 0 260.200 3.195 10 0 CGAERO CC(C)(C)[NH2+]C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000055029773 518759059 /nfs/dbraw/zinc/75/90/59/518759059.db2.gz OUPQSWOQNNVXEI-LLVKDONJSA-N 1 0 262.180 3.415 10 0 CGAERO FC(F)(F)COCCC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000116290257 534389262 /nfs/dbraw/zinc/38/92/62/534389262.db2.gz YDXVBILYWDRXCW-NSHDSACASA-N 1 0 277.286 3.386 10 0 CGAERO CC(C)C[C@@H]1CN(CC(F)(F)F)[C@@H](CC(C)C)C[NH2+]1 ZINC000062671185 519270744 /nfs/dbraw/zinc/27/07/44/519270744.db2.gz MWWFLNXJLZGIHL-OLZOCXBDSA-N 1 0 280.378 3.283 10 0 CGAERO CC(C)C[C@@H]1CSC(NCCc2ccsc2)=[NH+]1 ZINC000049185320 519275668 /nfs/dbraw/zinc/27/56/68/519275668.db2.gz DWZSSRZINBSBMR-GFCCVEGCSA-N 1 0 268.451 3.398 10 0 CGAERO O[C@H](CC1CCCC1)C[N@@H+]1CCC[C@H]1c1nccs1 ZINC000364337748 534424225 /nfs/dbraw/zinc/42/42/25/534424225.db2.gz KELPDCXXZPUYSW-KGLIPLIRSA-N 1 0 280.437 3.221 10 0 CGAERO CC(C)[NH2+]CCN(C)Cc1cc(Cl)cc(Cl)c1 ZINC000228264263 519721561 /nfs/dbraw/zinc/72/15/61/519721561.db2.gz SVAATIQKVWNAFL-UHFFFAOYSA-N 1 0 275.223 3.423 10 0 CGAERO CC(C)OCC[C@H](C[NH2+]C1CC1)Cc1ccccc1 ZINC000052953209 519770128 /nfs/dbraw/zinc/77/01/28/519770128.db2.gz ZQNPCUDDBHJSPE-INIZCTEOSA-N 1 0 261.409 3.412 10 0 CGAERO CC(C)C[C@@H](C[NH3+])Nc1ncc(Cl)cc1Cl ZINC000082592990 519776422 /nfs/dbraw/zinc/77/64/22/519776422.db2.gz KLLORFDWUQZUBB-VIFPVBQESA-N 1 0 262.184 3.174 10 0 CGAERO CC(C)Oc1ccc([C@H]([NH3+])Cc2cccnc2)cc1 ZINC000055264660 519781962 /nfs/dbraw/zinc/78/19/62/519781962.db2.gz ZRORVCWADGBIQD-MRXNPFEDSA-N 1 0 256.349 3.111 10 0 CGAERO CC(C)[C@@H](CN(C)C)[NH2+][C@H](C)c1cccc(F)c1 ZINC000049196565 519793884 /nfs/dbraw/zinc/79/38/84/519793884.db2.gz LVICSQDBMPCSJV-IUODEOHRSA-N 1 0 252.377 3.063 10 0 CGAERO CC(C)[C@@H]1C[N@H+](CCc2ccccc2)[C@H](C(C)C)CN1 ZINC000062668257 519804398 /nfs/dbraw/zinc/80/43/98/519804398.db2.gz FDVCFFRSUNNWJX-ROUUACIJSA-N 1 0 274.452 3.184 10 0 CGAERO CC(C)[C@@H]1CNC(C)(C)C[N@@H+]1CCCc1ccccc1 ZINC000062668197 519804865 /nfs/dbraw/zinc/80/48/65/519804865.db2.gz OMSFIGKXIAXUEN-KRWDZBQOSA-N 1 0 274.452 3.328 10 0 CGAERO CC(C)[C@H]1CC[C@@H](C)C[C@@]1([NH3+])c1cncc(F)c1 ZINC000049575938 519825649 /nfs/dbraw/zinc/82/56/49/519825649.db2.gz PZEKRMWNACVKMH-KCPJHIHWSA-N 1 0 250.361 3.467 10 0 CGAERO CCC[NH2+]CC[C@H](C)N(CCC)CC(F)(F)F ZINC000052504200 519919422 /nfs/dbraw/zinc/91/94/22/519919422.db2.gz HFKRQJAGGDIVBP-NSHDSACASA-N 1 0 254.340 3.039 10 0 CGAERO CCCCC1CCC(c2nnc(CC[NH3+])o2)CC1 ZINC000050283806 519920986 /nfs/dbraw/zinc/92/09/86/519920986.db2.gz WRIZOKNONBWJIO-UHFFFAOYSA-N 1 0 251.374 3.035 10 0 CGAERO CCC[NH2+]C[C@H]1CCN(c2cc(C)c(Cl)cc2OC)C1 ZINC000053011895 519936666 /nfs/dbraw/zinc/93/66/66/519936666.db2.gz JUJDPRWKLUZKJN-CYBMUJFWSA-N 1 0 296.842 3.483 10 0 CGAERO CC[NH2+]C[C@@H](c1ccccc1)n1nc(C)c(Cl)c1C ZINC000052574014 519948876 /nfs/dbraw/zinc/94/88/76/519948876.db2.gz LUNIYCMZNCLAPL-AWEZNQCLSA-N 1 0 277.799 3.352 10 0 CGAERO CCC[NH2+][C@@H](c1ccc(F)c(F)c1)c1ccccn1 ZINC000055237349 520018154 /nfs/dbraw/zinc/01/81/54/520018154.db2.gz XCHDRFFOSHJFOM-HNNXBMFYSA-N 1 0 262.303 3.449 10 0 CGAERO CC[NH2+][C@@H](C)c1cnc(-c2ccccc2C)nc1C ZINC000054962982 520079740 /nfs/dbraw/zinc/07/97/40/520079740.db2.gz JQAJTCUWQRKJSF-LBPRGKRZSA-N 1 0 255.365 3.431 10 0 CGAERO CC[NH2+][C@@H](C)c1sc(N(C)[C@@H]2CCSC2)nc1C ZINC000054902972 520082494 /nfs/dbraw/zinc/08/24/94/520082494.db2.gz PVPNCANARSKWGT-GXSJLCMTSA-N 1 0 285.482 3.064 10 0 CGAERO CCC[NH2+][C@H](Cc1ccc(C)cc1)[C@H]1CCCOC1 ZINC000062237785 520086416 /nfs/dbraw/zinc/08/64/16/520086416.db2.gz PUWSVUYGEUIQSS-DLBZAZTESA-N 1 0 261.409 3.332 10 0 CGAERO CCC[NH2+][C@H]1CCN([C@@H](C)c2cc(C)sc2C)C1 ZINC000049508943 520093793 /nfs/dbraw/zinc/09/37/93/520093793.db2.gz ZSRDPLZEIVPHEW-JSGCOSHPSA-N 1 0 266.454 3.500 10 0 CGAERO CC[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C[C@@H]1C ZINC000049711687 520120598 /nfs/dbraw/zinc/12/05/98/520120598.db2.gz JROGYPWVPRUZED-SMDDNHRTSA-N 1 0 252.789 3.164 10 0 CGAERO CCCCCN(C(=O)[C@@H]1CCC[C@H]([NH3+])[C@@H]1C)C(C)C ZINC000055133524 520144069 /nfs/dbraw/zinc/14/40/69/520144069.db2.gz AMXKNKNSGXOAET-KFWWJZLASA-N 1 0 268.445 3.177 10 0 CGAERO CC[NH2+][C@H](Cc1cccnc1)Cc1cccc(C)c1 ZINC000053131561 520203938 /nfs/dbraw/zinc/20/39/38/520203938.db2.gz IHDUNIOKVQOKGY-KRWDZBQOSA-N 1 0 254.377 3.153 10 0 CGAERO CCO[C@@H](C[NH3+])CCSc1ccc(C)c(C)c1 ZINC000062741942 520309755 /nfs/dbraw/zinc/30/97/55/520309755.db2.gz WMOXXMMQGZFLHA-CYBMUJFWSA-N 1 0 253.411 3.149 10 0 CGAERO CCCOc1cccc([C@H](CN)[N@H+](CC)C(C)C)c1 ZINC000052920939 520468441 /nfs/dbraw/zinc/46/84/41/520468441.db2.gz RZEQBWDLFFFKBE-INIZCTEOSA-N 1 0 264.413 3.206 10 0 CGAERO CCCC[N@@H+]1C[C@@H](C(C)C)NC[C@@H]1c1ccccc1 ZINC000062657494 520598430 /nfs/dbraw/zinc/59/84/30/520598430.db2.gz RMXRVPPNVGGMFR-DLBZAZTESA-N 1 0 260.425 3.458 10 0 CGAERO CCC[C@@H](CC)[NH2+]Cc1c(C)nc2sccn12 ZINC000050401937 520687720 /nfs/dbraw/zinc/68/77/20/520687720.db2.gz IFCCBSJYJDMDPE-LLVKDONJSA-N 1 0 251.399 3.373 10 0 CGAERO CCC[C@@H](C[NH2+]CCOC)Cc1cccc(F)c1 ZINC000054662825 520710096 /nfs/dbraw/zinc/71/00/96/520710096.db2.gz XLMVSUKUMCPNDO-CQSZACIVSA-N 1 0 253.361 3.021 10 0 CGAERO CCC[C@@H](NC(=O)[C@H]([NH3+])CC(C)C)c1cccs1 ZINC000049547012 520748842 /nfs/dbraw/zinc/74/88/42/520748842.db2.gz ROSDPIUVXNOWJX-VXGBXAGGSA-N 1 0 268.426 3.079 10 0 CGAERO CCN(CC)c1nc(C)c(C[NH2+]C(C)(C)C)s1 ZINC000054995232 520926185 /nfs/dbraw/zinc/92/61/85/520926185.db2.gz VYZUMUIJFZPCQY-UHFFFAOYSA-N 1 0 255.431 3.186 10 0 CGAERO CCN(Cc1ccc(F)cc1F)C1(C[NH3+])CCCC1 ZINC000050872207 521315192 /nfs/dbraw/zinc/31/51/92/521315192.db2.gz WSOFDJNMUZIYOU-UHFFFAOYSA-N 1 0 268.351 3.058 10 0 CGAERO CCOc1cccc(O[C@@H](C[NH2+]C2CC2)C(C)C)c1 ZINC000052593984 521404177 /nfs/dbraw/zinc/40/41/77/521404177.db2.gz XBDJERXLBDARKZ-INIZCTEOSA-N 1 0 263.381 3.241 10 0 CGAERO CCCc1nc(N2CCCC[C@H]2C)sc1C[NH2+]C ZINC000054995331 521530614 /nfs/dbraw/zinc/53/06/14/521530614.db2.gz GXVSPOGLFBXTFX-LLVKDONJSA-N 1 0 267.442 3.194 10 0 CGAERO CCOc1ccccc1O[C@H](C)CCC[NH2+]C1CC1 ZINC000052654130 521568663 /nfs/dbraw/zinc/56/86/63/521568663.db2.gz OTIAJIRZSHLLAB-CYBMUJFWSA-N 1 0 263.381 3.385 10 0 CGAERO CCOc1ccccc1[C@H]([NH3+])Cc1csc(C)n1 ZINC000055294909 521588802 /nfs/dbraw/zinc/58/88/02/521588802.db2.gz KBDGSLJTYCTZDZ-CYBMUJFWSA-N 1 0 262.378 3.093 10 0 CGAERO CCCn1c(C[C@@H](C)[NH2+]CC)nc2cc(C)ccc21 ZINC000061181851 521630798 /nfs/dbraw/zinc/63/07/98/521630798.db2.gz AGFWXQKOVPSBCJ-CYBMUJFWSA-N 1 0 259.397 3.295 10 0 CGAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000061300124 521941362 /nfs/dbraw/zinc/94/13/62/521941362.db2.gz ZBLIWDHBWBJGOE-UHFFFAOYSA-N 1 0 294.704 3.295 10 0 CGAERO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2c1cc(C)ccc1F ZINC000054601881 521955423 /nfs/dbraw/zinc/95/54/23/521955423.db2.gz LRVXGUHMMMUIMY-AGUYFDCRSA-N 1 0 262.372 3.243 10 0 CGAERO C[NH2+]C[C@H](Cc1cc(Cl)ccc1OC)C(C)C ZINC000052971181 522074371 /nfs/dbraw/zinc/07/43/71/522074371.db2.gz ZHYHLHCOWPLYAY-LBPRGKRZSA-N 1 0 255.789 3.383 10 0 CGAERO C[NH2+]Cc1c(Cl)cccc1-n1ncc2ccccc21 ZINC000050526770 522101209 /nfs/dbraw/zinc/10/12/09/522101209.db2.gz OHXVZLWJLLFQRI-UHFFFAOYSA-N 1 0 271.751 3.398 10 0 CGAERO C[NH2+]Cc1occc1CN(C)Cc1ccc(Cl)s1 ZINC000052509007 522162794 /nfs/dbraw/zinc/16/27/94/522162794.db2.gz TZYUDEFNCODINM-UHFFFAOYSA-N 1 0 284.812 3.346 10 0 CGAERO COc1cc(C)ccc1O[C@@H](C)C[NH2+]C1CCCC1 ZINC000053567879 522280935 /nfs/dbraw/zinc/28/09/35/522280935.db2.gz SHLIHWZKWAZZGA-ZDUSSCGKSA-N 1 0 263.381 3.303 10 0 CGAERO C[NH2+][C@@H](Cc1csc(C)n1)c1cc(F)cc(F)c1 ZINC000055295047 522361628 /nfs/dbraw/zinc/36/16/28/522361628.db2.gz OUGIBCXCGZYDOH-ZDUSSCGKSA-N 1 0 268.332 3.233 10 0 CGAERO CC[C@@H](NC(=O)c1ccc2c(c1)C[NH2+]C2)c1cccs1 ZINC000156739451 522790138 /nfs/dbraw/zinc/79/01/38/522790138.db2.gz MYEHKFCFNUOSRH-CQSZACIVSA-N 1 0 286.400 3.232 10 0 CGAERO C[N@H+](CCc1ccccc1N)Cc1ccccc1F ZINC000052918325 522956682 /nfs/dbraw/zinc/95/66/82/522956682.db2.gz GWTXWRYFHRYXCX-UHFFFAOYSA-N 1 0 258.340 3.082 10 0 CGAERO COCCC[NH2+]C[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000053566946 523374487 /nfs/dbraw/zinc/37/44/87/523374487.db2.gz SZHYMCDHOKZKFZ-JTQLQIEISA-N 1 0 292.206 3.387 10 0 CGAERO CCn1cc(C[C@H]([NH2+]C)c2ccc(Cl)cc2F)cn1 ZINC000062786161 523396707 /nfs/dbraw/zinc/39/67/07/523396707.db2.gz MMYQGGJFQJCWOG-AWEZNQCLSA-N 1 0 281.762 3.199 10 0 CGAERO CN(Cc1ccsc1)c1ccc(Cl)cc1C[NH3+] ZINC000052856726 523486245 /nfs/dbraw/zinc/48/62/45/523486245.db2.gz WXGQMLYLKGRJBV-UHFFFAOYSA-N 1 0 266.797 3.497 10 0 CGAERO CC[C@@]1(c2ccc(Cl)cc2)C[C@@H]1C[NH2+]CCOC ZINC000054599290 523747102 /nfs/dbraw/zinc/74/71/02/523747102.db2.gz NKXOOWIVLJWKDY-HIFRSBDPSA-N 1 0 267.800 3.244 10 0 CGAERO COCC[NH2+]Cc1ccc(OC/C=C/Cl)c(Cl)c1 ZINC000062730515 523953566 /nfs/dbraw/zinc/95/35/66/523953566.db2.gz AZQPWFLOZMEGCW-GORDUTHDSA-N 1 0 290.190 3.207 10 0 CGAERO CCc1cccc(C)c1N1CC[C@@H](C[NH2+]C2CC2)C1 ZINC000053010542 524062276 /nfs/dbraw/zinc/06/22/76/524062276.db2.gz KPZGPCDUYCHGBM-AWEZNQCLSA-N 1 0 258.409 3.136 10 0 CGAERO Cc1cccc(C2CC([NH2+]C[C@@H]3CCC[C@H](O)C3)C2)c1 ZINC000154218832 524336925 /nfs/dbraw/zinc/33/69/25/524336925.db2.gz DEQBPLMAXFFZLO-LTDKPHRXSA-N 1 0 273.420 3.382 10 0 CGAERO Cc1ccc(CN(C)c2nc3c(s2)[C@H]([NH3+])CCC3)o1 ZINC000054895447 524402608 /nfs/dbraw/zinc/40/26/08/524402608.db2.gz KUHIHQHPBOCNEB-LLVKDONJSA-N 1 0 277.393 3.017 10 0 CGAERO C[C@H](C[NH2+]C1CC1)Cc1cccc(Br)c1 ZINC000052966569 524479217 /nfs/dbraw/zinc/47/92/17/524479217.db2.gz ZHITYZSNYZZJNB-JTQLQIEISA-N 1 0 268.198 3.380 10 0 CGAERO C[C@@H]1CC[C@H](C[NH3+])CN1c1ccc(C(F)(F)F)cc1 ZINC000054187343 524671188 /nfs/dbraw/zinc/67/11/88/524671188.db2.gz MLWSRMCRBDIGBS-GHMZBOCLSA-N 1 0 272.314 3.269 10 0 CGAERO C[C@H]1C[NH+]=C(NCc2ccc(C(F)(F)F)cc2)S1 ZINC000061627334 524691575 /nfs/dbraw/zinc/69/15/75/524691575.db2.gz QQRLPXVJLYCZSO-QMMMGPOBSA-N 1 0 274.311 3.286 10 0 CGAERO C[C@H](Cc1ccccc1)NC(=[NH2+])NC1CCCCC1 ZINC000062190330 524726858 /nfs/dbraw/zinc/72/68/58/524726858.db2.gz VEJFXPJKBXODBY-CYBMUJFWSA-N 1 0 259.397 3.064 10 0 CGAERO C[C@H]1C[C@@H]([NH3+])CCN1c1ccccc1SC(F)F ZINC000049712211 524786042 /nfs/dbraw/zinc/78/60/42/524786042.db2.gz AWTDFGDKLBGZRF-UWVGGRQHSA-N 1 0 272.364 3.317 10 0 CGAERO Cc1cc(Cl)cc(C)c1OCc1csc(C[NH3+])n1 ZINC000052651418 524862598 /nfs/dbraw/zinc/86/25/98/524862598.db2.gz AWRAYCOIGAWUKR-UHFFFAOYSA-N 1 0 282.796 3.451 10 0 CGAERO COc1ccc(OC)c([C@@H]2CC[NH2+][C@H]2CC(C)C)c1 ZINC000054929128 524894801 /nfs/dbraw/zinc/89/48/01/524894801.db2.gz FMKLNJHBBNJZSC-ZFWWWQNUSA-N 1 0 263.381 3.195 10 0 CGAERO C[C@@H]1CN(CCOc2ccc(C(C)(C)C)cc2)[C@@H](C)C[NH2+]1 ZINC000062706776 524959637 /nfs/dbraw/zinc/95/96/37/524959637.db2.gz YLLWUTNHLRNLNM-CABCVRRESA-N 1 0 290.451 3.045 10 0 CGAERO C[C@@H]([NH3+])[C@@H](Oc1cc(F)cc(F)c1)c1ccco1 ZINC000054932335 525003883 /nfs/dbraw/zinc/00/38/83/525003883.db2.gz PKCFPABLJLJRKC-AMIZOPFISA-N 1 0 253.248 3.025 10 0 CGAERO Cc1cc(Sc2ccc(F)cc2[C@@H](C)[NH3+])n(C)n1 ZINC000052310191 525442382 /nfs/dbraw/zinc/44/23/82/525442382.db2.gz KBQQFAXXOLAGIT-SECBINFHSA-N 1 0 265.357 3.039 10 0 CGAERO Cc1cc([C@H](C[NH3+])N(C)Cc2ccoc2)c(C)s1 ZINC000049687431 525536038 /nfs/dbraw/zinc/53/60/38/525536038.db2.gz MWLSZPCKGJSRPY-AWEZNQCLSA-N 1 0 264.394 3.090 10 0 CGAERO Cc1ccn(-c2ccc(F)cc2C[NH2+]CC(C)C)n1 ZINC000062738927 525558304 /nfs/dbraw/zinc/55/83/04/525558304.db2.gz NMTGHWRUOUZHII-UHFFFAOYSA-N 1 0 261.344 3.065 10 0 CGAERO C[C@H]([NH2+][C@H]1CN(C)C[C@@H]1C)c1ccc(Cl)s1 ZINC000309553064 525632839 /nfs/dbraw/zinc/63/28/39/525632839.db2.gz IWDUZSCYVABECE-GUBZILKMSA-N 1 0 258.818 3.002 10 0 CGAERO c1cn(-c2ccccc2C[NH2+]C2CC2)nc1C1CC1 ZINC000052884810 526527247 /nfs/dbraw/zinc/52/72/47/526527247.db2.gz FTSNNTBVFNYYLW-UHFFFAOYSA-N 1 0 253.349 3.002 10 0 CGAERO c1nn(CC[NH2+]C2CCCC2)cc1-c1ccccc1 ZINC000054962249 526620080 /nfs/dbraw/zinc/62/00/80/526620080.db2.gz PVCHLEHWZBBRCM-UHFFFAOYSA-N 1 0 255.365 3.082 10 0 CGAERO c1sc(C2CC2)nc1CN1CCC([NH+]2CCCC2)CC1 ZINC000161649240 526630588 /nfs/dbraw/zinc/63/05/88/526630588.db2.gz HXTHCTLHHBJJEX-UHFFFAOYSA-N 1 0 291.464 3.081 10 0 CGAERO Cc1nc(C2CC2)nc(C)c1CCC[NH2+]C(C)(C)C ZINC000054837842 526771990 /nfs/dbraw/zinc/77/19/90/526771990.db2.gz YYVXROAVGPDFIC-UHFFFAOYSA-N 1 0 261.413 3.292 10 0 CGAERO NC(=[NH2+])c1ccc(OCc2ccccc2)cc1Cl ZINC000061856855 526823270 /nfs/dbraw/zinc/82/32/70/526823270.db2.gz IXBBJHRTEJIQLN-UHFFFAOYSA-N 1 0 260.724 3.203 10 0 CGAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2c1ccc(C(F)(F)F)cc1 ZINC000054187017 527146564 /nfs/dbraw/zinc/14/65/64/527146564.db2.gz RUSSPRYGHOBDBU-VGPLMAKISA-N 1 0 270.298 3.164 10 0 CGAERO [NH3+]Cc1ccc(Cl)cc1OCCOc1ccccc1 ZINC000062787135 527252948 /nfs/dbraw/zinc/25/29/48/527252948.db2.gz SPAXOUICHSSEFE-UHFFFAOYSA-N 1 0 277.751 3.257 10 0 CGAERO [NH3+]Cc1nc(COc2ccc(C(F)(F)F)cc2)cs1 ZINC000052599901 527266066 /nfs/dbraw/zinc/26/60/66/527266066.db2.gz KYTGVYLUIMCFDV-UHFFFAOYSA-N 1 0 288.294 3.200 10 0 CGAERO O=C(Nc1ccc2[nH]ccc2c1)c1ccc2c(c1)C[NH2+]C2 ZINC000156729293 527266683 /nfs/dbraw/zinc/26/66/83/527266683.db2.gz OYHKEGUHBINBDN-UHFFFAOYSA-N 1 0 277.327 3.023 10 0 CGAERO Cc1nccc(C[NH2+]Cc2ccc(C(F)F)cc2)n1 ZINC000150110862 527337240 /nfs/dbraw/zinc/33/72/40/527337240.db2.gz LKPMOQJVDSHNSM-UHFFFAOYSA-N 1 0 263.291 3.012 10 0 CGAERO CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H]2[C@H]3COC[C@H]32)cc1 ZINC000367692128 528203750 /nfs/dbraw/zinc/20/37/50/528203750.db2.gz XLLBELZOSXBIII-YYQUZTFQSA-N 1 0 275.392 3.017 10 0 CGAERO COc1ccccc1N1C[C@H](C(C)C)[NH2+]C[C@@H]1C(C)C ZINC000083550020 537076917 /nfs/dbraw/zinc/07/69/17/537076917.db2.gz FGSDCGGZGUIVFI-GDBMZVCRSA-N 1 0 276.424 3.154 10 0 CGAERO CC[C@@H]([NH2+]C[C@@H](O)COC(C)(C)C)C1CCCCC1 ZINC000052339378 572330344 /nfs/dbraw/zinc/33/03/44/572330344.db2.gz MCURCHNVYGNZQF-HUUCEWRRSA-N 1 0 271.445 3.111 10 0 CGAERO Cc1c(Br)cccc1NC(=O)C[C@@H]([NH3+])C(C)C ZINC000225809511 572343880 /nfs/dbraw/zinc/34/38/80/572343880.db2.gz RHXHCGUQYWDNFD-LLVKDONJSA-N 1 0 299.212 3.069 10 0 CGAERO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1cccc(Cl)c1 ZINC000217643790 572395540 /nfs/dbraw/zinc/39/55/40/572395540.db2.gz DKSLLKVJUWPPEV-LEWSCRJBSA-N 1 0 253.773 3.294 10 0 CGAERO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000250683444 572530097 /nfs/dbraw/zinc/53/00/97/572530097.db2.gz ZMWHNDIGYJWAKV-RFGFWPKPSA-N 1 0 290.373 3.324 10 0 CGAERO CCC1(CC)O[C@]2(CCCSC2)[NH2+]CC1(C)C ZINC000757142229 617790566 /nfs/dbraw/zinc/79/05/66/617790566.db2.gz KSXPQGNPXMKBAP-AWEZNQCLSA-N 1 0 257.443 3.415 10 0 CGAERO CC1(C)C[C@@H]1c1noc([C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)n1 ZINC000300459915 617792077 /nfs/dbraw/zinc/79/20/77/617792077.db2.gz ZHOWASOVIMOHHT-QCNOEVLYSA-N 1 0 261.369 3.176 10 0 CGAERO FC1(F)CCC2(CC1)[NH2+][C@@H](c1ccco1)CCO2 ZINC000757146980 617805899 /nfs/dbraw/zinc/80/58/99/617805899.db2.gz LYDZPCPOUXJMBH-SNVBAGLBSA-N 1 0 257.280 3.236 10 0 CGAERO FC1(F)CCC2(CC1)[NH2+][C@H](c1ccco1)CCO2 ZINC000757146977 617805946 /nfs/dbraw/zinc/80/59/46/617805946.db2.gz LYDZPCPOUXJMBH-JTQLQIEISA-N 1 0 257.280 3.236 10 0 CGAERO CC(C)[C@H]1[NH2+][C@]2(CCCSC2)OCC12CCC2 ZINC000757147710 617806881 /nfs/dbraw/zinc/80/68/81/617806881.db2.gz SOIFGNLAUVFXFI-TZMCWYRMSA-N 1 0 255.427 3.024 10 0 CGAERO C[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1O)C1CCCCC1 ZINC000177344310 617929313 /nfs/dbraw/zinc/92/93/13/617929313.db2.gz ZDXXCBRAQBMCCP-ZLIFDBKOSA-N 1 0 259.393 3.203 10 0 CGAERO CCc1cc2c(ncnc2NCCCCCC[NH3+])s1 ZINC000234205882 618043315 /nfs/dbraw/zinc/04/33/15/618043315.db2.gz GSKMGUXASMDWLC-UHFFFAOYSA-N 1 0 278.425 3.185 10 0 CGAERO CCC1CCC(c2noc(C[C@H]3CCC[NH2+]3)n2)CC1 ZINC000087933422 618089936 /nfs/dbraw/zinc/08/99/36/618089936.db2.gz UKZHJCDBXLLHEU-WXRRBKDZSA-N 1 0 263.385 3.048 10 0 CGAERO C[C@H]1CN(Cc2ccc(SC(F)(F)F)cc2)C[C@@H]1[NH3+] ZINC000235661159 618816149 /nfs/dbraw/zinc/81/61/49/618816149.db2.gz ILUDCVAVXOKVNT-CABZTGNLSA-N 1 0 290.354 3.078 10 0 CGAERO [NH3+]CCCCCCNc1ccnc(C(F)(F)F)c1 ZINC000310746622 618855301 /nfs/dbraw/zinc/85/53/01/618855301.db2.gz GRCHFZIWLGLIBV-UHFFFAOYSA-N 1 0 261.291 3.031 10 0 CGAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2cc(Cl)ccc2O)C1 ZINC000185105912 625302001 /nfs/dbraw/zinc/30/20/01/625302001.db2.gz YIYWKQCTVONUIM-WCQYABFASA-N 1 0 282.815 3.181 10 0 CGAERO C[C@@H](c1nc(C(C2CCC2)C2CCC2)no1)[C@H](C)[NH3+] ZINC000311366268 618905673 /nfs/dbraw/zinc/90/56/73/618905673.db2.gz PZNFWGOKEJOPEN-ZJUUUORDSA-N 1 0 263.385 3.204 10 0 CGAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2O)C1 ZINC000185105888 625302221 /nfs/dbraw/zinc/30/22/21/625302221.db2.gz YIYWKQCTVONUIM-AAEUAGOBSA-N 1 0 282.815 3.181 10 0 CGAERO C[C@H](C[C@H]1CCC(=O)N1)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000311451347 618909804 /nfs/dbraw/zinc/90/98/04/618909804.db2.gz SIGGMERKMHKTCN-JTNHKYCSSA-N 1 0 280.799 3.048 10 0 CGAERO CCC[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC000309961467 619063770 /nfs/dbraw/zinc/06/37/70/619063770.db2.gz ZFMOPXKYCINSFL-RYUDHWBXSA-N 1 0 258.406 3.020 10 0 CGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000310019122 619070693 /nfs/dbraw/zinc/07/06/93/619070693.db2.gz MIJJKBCXZZLKGO-LBELIVKGSA-N 1 0 257.468 3.144 10 0 CGAERO C[NH2+]C1(C(=O)N[C@@H](C)c2ccc(C(C)C)cc2)CCC1 ZINC000313104978 619162861 /nfs/dbraw/zinc/16/28/61/619162861.db2.gz NUMRUXHVYOXDLM-ZDUSSCGKSA-N 1 0 274.408 3.129 10 0 CGAERO C[C@H]([NH2+]CCCCCCCO)c1ccc2c(c1)OCCO2 ZINC000181752692 619169678 /nfs/dbraw/zinc/16/96/78/619169678.db2.gz IAMJTMRKSXWSJH-AWEZNQCLSA-N 1 0 293.407 3.051 10 0 CGAERO CCC[C@@H]([NH3+])C(=O)N(C)c1ccc(C(C)(C)C)cc1 ZINC000236896998 619222325 /nfs/dbraw/zinc/22/23/25/619222325.db2.gz IDJPJQBGSSLPTF-CQSZACIVSA-N 1 0 262.397 3.074 10 0 CGAERO Cc1cc(Br)cnc1NCCCCCC[NH3+] ZINC000235742692 619302429 /nfs/dbraw/zinc/30/24/29/619302429.db2.gz UYNQMXNSPNIALT-UHFFFAOYSA-N 1 0 286.217 3.084 10 0 CGAERO FC(F)Sc1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000178620390 619310395 /nfs/dbraw/zinc/31/03/95/619310395.db2.gz IIYRJWDOAUEFOG-CYBMUJFWSA-N 1 0 298.402 3.281 10 0 CGAERO C[C@H](C[NH2+]CCc1ccccc1)Oc1ccccc1 ZINC000083411569 625516606 /nfs/dbraw/zinc/51/66/06/625516606.db2.gz GRYRZIFABIZWEN-OAHLLOKOSA-N 1 0 255.361 3.286 10 0 CGAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]C[C@H](O)C1CC1 ZINC000156746801 622841979 /nfs/dbraw/zinc/84/19/79/622841979.db2.gz PRUISWQWEAKWEU-HOTGVXAUSA-N 1 0 259.393 3.061 10 0 CGAERO CO[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000224419064 622875664 /nfs/dbraw/zinc/87/56/64/622875664.db2.gz SSMZIFFPMCDNEW-QCZZGDTMSA-N 1 0 255.308 3.183 10 0 CGAERO OCC[C@H]1CC[N@H+](Cc2cc3ccccc3nc2Cl)C1 ZINC000227571193 623022268 /nfs/dbraw/zinc/02/22/68/623022268.db2.gz KBXHTCMOKREAPQ-GFCCVEGCSA-N 1 0 290.794 3.093 10 0 CGAERO c1c2ccccc2oc1-c1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000063084503 623292085 /nfs/dbraw/zinc/29/20/85/623292085.db2.gz LTFMVHVBPVCUJM-LLVKDONJSA-N 1 0 283.331 3.025 10 0 CGAERO C[C@@H](Cc1nc(C[C@@H]2CCC[NH2+]C2)no1)CC(C)(C)C ZINC000063084524 623293196 /nfs/dbraw/zinc/29/31/96/623293196.db2.gz RJEUQSPEDSLQQL-STQMWFEESA-N 1 0 279.428 3.227 10 0 CGAERO CC(C)c1ccc([C@H](C)NC(=O)[C@H]([NH3+])CC2CC2)cc1 ZINC000312868891 623616276 /nfs/dbraw/zinc/61/62/76/623616276.db2.gz ZOMKTJRXMSEIKT-BLLLJJGKSA-N 1 0 274.408 3.115 10 0 CGAERO CC1(C)COC[C@H]1[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000313014608 623624272 /nfs/dbraw/zinc/62/42/72/623624272.db2.gz DUAWPINGASCKAX-UKRRQHHQSA-N 1 0 275.392 3.303 10 0 CGAERO 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260.200 3.200 10 0 CGAERO CS[C@H](c1cc(Br)cs1)[C@@H](C)[NH3+] ZINC000043291100 344996807 /nfs/dbraw/zinc/99/68/07/344996807.db2.gz BXKJQDSPLDXNJD-XRGYYRRGSA-N 1 0 266.229 3.262 10 0 CGAERO C[C@H](NC(=O)CC[C@@H]1CCC[NH2+]C1)c1cccc(Cl)c1 ZINC000043590453 345001603 /nfs/dbraw/zinc/00/16/03/345001603.db2.gz FYMFKMOAIQUMGR-STQMWFEESA-N 1 0 294.826 3.297 10 0 CGAERO C[NH2+][C@@H]1c2cccc(Br)c2S[C@@H]1C ZINC000043636058 345002206 /nfs/dbraw/zinc/00/22/06/345002206.db2.gz FFQVYPTUHLOKHL-MUWHJKNJSA-N 1 0 258.184 3.204 10 0 CGAERO C[C@@H](NC1=[NH+]CCS1)c1ccc(Br)cc1 ZINC000049526561 345073842 /nfs/dbraw/zinc/07/38/42/345073842.db2.gz CJPWCJZIWYDZSV-MRVPVSSYSA-N 1 0 285.210 3.203 10 0 CGAERO O[C@@H]1CCC[C@H]([NH2+]Cc2csc3ccccc23)C1 ZINC000049592694 345074569 /nfs/dbraw/zinc/07/45/69/345074569.db2.gz IUIXLQITIHDJOW-QWHCGFSZSA-N 1 0 261.390 3.294 10 0 CGAERO [NH3+][C@@H](Cc1cccc(Br)c1)C1CCC1 ZINC000050041351 345076899 /nfs/dbraw/zinc/07/68/99/345076899.db2.gz GADVPGRBAFHXDX-LBPRGKRZSA-N 1 0 254.171 3.119 10 0 CGAERO CC[NH+](CC)CCCSC[C@@H](O)c1ccccc1 ZINC000048522763 345067477 /nfs/dbraw/zinc/06/74/77/345067477.db2.gz MUFZRMFSQRZZMM-OAHLLOKOSA-N 1 0 267.438 3.185 10 0 CGAERO CCN(CC[NH2+]Cc1ccccc1)Cc1ccccc1 ZINC000053374824 345118846 /nfs/dbraw/zinc/11/88/46/345118846.db2.gz CDHRVOKWLXOXRZ-UHFFFAOYSA-N 1 0 268.404 3.298 10 0 CGAERO CC(C)[C@H]([NH3+])Cc1ccc(F)cc1Br ZINC000053818042 345125780 /nfs/dbraw/zinc/12/57/80/345125780.db2.gz UWUXIXDIWWBNQY-LLVKDONJSA-N 1 0 260.150 3.114 10 0 CGAERO CC[C@H](C)N(Cc1ccccc1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054307706 345132223 /nfs/dbraw/zinc/13/22/23/345132223.db2.gz PTPALZZZTVCITR-RDJZCZTQSA-N 1 0 288.435 3.203 10 0 CGAERO CCC[C@H](NC(=O)C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000054307176 345132292 /nfs/dbraw/zinc/13/22/92/345132292.db2.gz LBDCTGAFDFEMPO-ZBFHGGJFSA-N 1 0 274.408 3.034 10 0 CGAERO CC(C)C[C@@H]([NH3+])[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000054929352 345140656 /nfs/dbraw/zinc/14/06/56/345140656.db2.gz YNOSRLHJWGAIAY-VXGBXAGGSA-N 1 0 262.180 3.400 10 0 CGAERO Fc1ccccc1OCC[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000058888532 345203364 /nfs/dbraw/zinc/20/33/64/345203364.db2.gz WIAHLHOQWIVJNM-NSHDSACASA-N 1 0 291.288 3.479 10 0 CGAERO [NH3+][C@@H]1CCCCC[C@H]1c1occc1Br ZINC000068983314 345369954 /nfs/dbraw/zinc/36/99/54/345369954.db2.gz OHCNMCUUNAKWAW-PSASIEDQSA-N 1 0 258.159 3.417 10 0 CGAERO CCCCOc1ccc(C[NH3+])cc1Br ZINC000070503615 345391183 /nfs/dbraw/zinc/39/11/83/345391183.db2.gz FSJPXILYOMBJHA-UHFFFAOYSA-N 1 0 258.159 3.087 10 0 CGAERO CCc1nc(NCC2CC[NH2+]CC2)cc(-c2ccccc2)n1 ZINC000070456077 345391359 /nfs/dbraw/zinc/39/13/59/345391359.db2.gz ATXWJPPWFCNRPI-UHFFFAOYSA-N 1 0 296.418 3.118 10 0 CGAERO C[C@@H]1C[C@@H](c2ccc(Br)s2)[C@H](C)[NH2+]1 ZINC000070587100 345391763 /nfs/dbraw/zinc/39/17/63/345391763.db2.gz GCOSBZNWSNWTBH-GJMOJQLCSA-N 1 0 260.200 3.365 10 0 CGAERO c1ccc2[nH]c(N3CCC[C@H]([NH+]4CCCCCC4)C3)nc2c1 ZINC000091482379 345816715 /nfs/dbraw/zinc/81/67/15/345816715.db2.gz IPJOPIPFQXQNNO-HNNXBMFYSA-N 1 0 298.434 3.408 10 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CGAERO [NH3+]C[C@@H]1Cc2cccc(-c3cccc(Cl)c3)c2O1 ZINC000137251710 346093422 /nfs/dbraw/zinc/09/34/22/346093422.db2.gz YLUCJENIGCURGA-ZDUSSCGKSA-N 1 0 259.736 3.269 10 0 CGAERO C/C(=C/c1ccc(Cl)c(Br)c1)C[NH3+] ZINC000137295862 346094035 /nfs/dbraw/zinc/09/40/35/346094035.db2.gz PKPVVIGVJKDJGO-DAXSKMNVSA-N 1 0 260.562 3.465 10 0 CGAERO [NH2+]=C(NCc1ccccc1)Nc1cccc(Cl)c1 ZINC000143824252 346115343 /nfs/dbraw/zinc/11/53/43/346115343.db2.gz OVNSFYSBARUOJC-UHFFFAOYSA-N 1 0 259.740 3.476 10 0 CGAERO [NH3+][C@H]1CC[C@@](F)(Cc2cc(Br)cs2)C1 ZINC000158323034 346164220 /nfs/dbraw/zinc/16/42/20/346164220.db2.gz LKJPPMKNISKQMI-WPRPVWTQSA-N 1 0 278.190 3.273 10 0 CGAERO COc1c(C)cc(Br)c(C)c1[C@H](C)[NH3+] ZINC000159775780 346168555 /nfs/dbraw/zinc/16/85/55/346168555.db2.gz ADNLWGOWBBWTIC-QMMMGPOBSA-N 1 0 258.159 3.094 10 0 CGAERO C[NH2+]C[C@@H]1Cc2cc(C)cc(-c3ccc(C)cc3)c2O1 ZINC000166895605 346187686 /nfs/dbraw/zinc/18/76/86/346187686.db2.gz GWXARKURQCPLNM-INIZCTEOSA-N 1 0 267.372 3.493 10 0 CGAERO C[C@]1(c2ccc(Br)cc2Cl)C[C@@H]1C[NH3+] ZINC000169049318 346191921 /nfs/dbraw/zinc/19/19/21/346191921.db2.gz XDGBOOMRJFVDSL-HQJQHLMTSA-N 1 0 274.589 3.339 10 0 CGAERO Fc1ccc([C@@H]2CCCC[NH2+]2)c(Br)c1 ZINC000218292336 346292993 /nfs/dbraw/zinc/29/29/93/346292993.db2.gz YAROGJCHQWBMPS-NSHDSACASA-N 1 0 258.134 3.403 10 0 CGAERO CC(C)Oc1cc(-c2nc(C[NH3+])co2)ccc1OC(F)F ZINC000224513773 346302274 /nfs/dbraw/zinc/30/22/74/346302274.db2.gz JZDIENKJFAYXPR-UHFFFAOYSA-N 1 0 298.289 3.189 10 0 CGAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)c1cscc1Br ZINC000226549027 346307019 /nfs/dbraw/zinc/30/70/19/346307019.db2.gz SIJTVIPYCXPPIB-SFYZADRCSA-N 1 0 288.210 3.068 10 0 CGAERO CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1cnc2ccccc2n1 ZINC000233995030 346330369 /nfs/dbraw/zinc/33/03/69/346330369.db2.gz YMBZLNYJFQGKAT-JKSUJKDBSA-N 1 0 287.432 3.394 10 0 CGAERO Cc1cc(Br)c([C@H]([NH3+])[C@@H]2C[C@H]2C)s1 ZINC000227884348 346311564 /nfs/dbraw/zinc/31/15/64/346311564.db2.gz XIKZPEHBDIKIDM-SLBFFKMLSA-N 1 0 260.200 3.475 10 0 CGAERO Clc1sc([C@H]2CC[NH2+]2)cc1Br ZINC000227984092 346312971 /nfs/dbraw/zinc/31/29/71/346312971.db2.gz VKTMODBOUGLFHC-RXMQYKEDSA-N 1 0 252.564 3.198 10 0 CGAERO CC[C@@H]1C[NH2+]CC[C@@H]1c1occc1Br ZINC000229825994 346318488 /nfs/dbraw/zinc/31/84/88/346318488.db2.gz ZHLSQHIUHCPEFJ-BDAKNGLRSA-N 1 0 258.159 3.145 10 0 CGAERO CC1(C)[C@H]([NH3+])C[C@@H]1c1cc(Br)cs1 ZINC000229870889 346319123 /nfs/dbraw/zinc/31/91/23/346319123.db2.gz BMIHAHPJAOFOHA-VXNVDRBHSA-N 1 0 260.200 3.351 10 0 CGAERO Brc1csc(/C=C/[C@H]2CCC[NH2+]2)c1 ZINC000229872086 346319273 /nfs/dbraw/zinc/31/92/73/346319273.db2.gz ROIWHBRCLQKEFL-CDAZIORVSA-N 1 0 258.184 3.276 10 0 CGAERO C/C(=C\c1cc(Br)ccc1F)[C@@H](C)[NH3+] ZINC000231753566 346323697 /nfs/dbraw/zinc/32/36/97/346323697.db2.gz MCZVVCGKSQDNSU-WVXIBAHESA-N 1 0 258.134 3.339 10 0 CGAERO C[C@H](C[C@H](C)[NH3+])Nc1ncc(Br)cc1Cl ZINC000235499471 346336212 /nfs/dbraw/zinc/33/62/12/346336212.db2.gz CSYDPPHOEVQDGH-NKWVEPMBSA-N 1 0 292.608 3.035 10 0 CGAERO CC[C@@H](C)C[N@H+](C)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000247704126 346372548 /nfs/dbraw/zinc/37/25/48/346372548.db2.gz RPMVMGWVUOGKMQ-CZUORRHYSA-N 1 0 299.842 3.195 10 0 CGAERO CCC[C@@H](C[NH2+][C@@H](C)c1c(C)nn(CC)c1C)OCC ZINC000624050044 349955627 /nfs/dbraw/zinc/95/56/27/349955627.db2.gz WQIJSZFBTFXSBV-WFASDCNBSA-N 1 0 281.444 3.376 10 0 CGAERO O[C@@H]1CCCC[C@H]1[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000250825793 346386646 /nfs/dbraw/zinc/38/66/46/346386646.db2.gz WZOSBINGAFLDCZ-INMHGKMJSA-N 1 0 271.360 3.262 10 0 CGAERO CCC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(C)cc1)[NH2+]2 ZINC000253635742 346395284 /nfs/dbraw/zinc/39/52/84/346395284.db2.gz BUPHBAAVPSQWDR-MPTYRVRUSA-N 1 0 257.377 3.198 10 0 CGAERO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC1=[NH+]CCCC1 ZINC000306583276 346455540 /nfs/dbraw/zinc/45/55/40/346455540.db2.gz PPEFHSHXCCTGKC-DOTOQJQBSA-N 1 0 285.435 3.069 10 0 CGAERO Cc1cccc(F)c1NC(=[NH2+])NCc1ccccc1 ZINC000306737658 346457049 /nfs/dbraw/zinc/45/70/49/346457049.db2.gz ZHFCVTDHLOTNEE-UHFFFAOYSA-N 1 0 257.312 3.271 10 0 CGAERO C[C@H]1N(Cc2ccccc2)CC[C@]12[NH2+]CCc1sccc12 ZINC000307546730 346463669 /nfs/dbraw/zinc/46/36/69/346463669.db2.gz BQQVENUDELYOPD-KDOFPFPSSA-N 1 0 298.455 3.384 10 0 CGAERO C/C(=C/c1cc(Br)ccc1F)[C@@H](C)[NH3+] ZINC000381561028 346558668 /nfs/dbraw/zinc/55/86/68/346558668.db2.gz MCZVVCGKSQDNSU-GRKOMRHMSA-N 1 0 258.134 3.339 10 0 CGAERO [NH3+][C@@H](C1=CCCC1)c1nscc1Br ZINC000404817042 346601724 /nfs/dbraw/zinc/60/17/24/346601724.db2.gz QJTYTDOHIDFAEK-QMMMGPOBSA-N 1 0 259.172 3.016 10 0 CGAERO Cc1ccc([C@H](C[NH3+])N2CCCc3ccccc32)cc1 ZINC000019771589 136578133 /nfs/dbraw/zinc/57/81/33/136578133.db2.gz ZAWRZYILMSQXFK-SFHVURJKSA-N 1 0 266.388 3.448 10 0 CGAERO CCN(CC)CC[NH2+]CCNc1cccc2ccccc21 ZINC000584614464 346692986 /nfs/dbraw/zinc/69/29/86/346692986.db2.gz PPAAEDUKZZEQGX-UHFFFAOYSA-N 1 0 285.435 3.183 10 0 CGAERO CC[NH2+]CCC1=N[C@H]([C@@H](CC)c2ccccc2)N(CC)O1 ZINC000584613753 346693305 /nfs/dbraw/zinc/69/33/05/346693305.db2.gz GZHWIEJCRSJKLM-RDJZCZTQSA-N 1 0 289.423 3.172 10 0 CGAERO C[NH+](C)CCC[C@]1(O)c2ccccc2C=Cc2ccncc21 ZINC000584617621 346694649 /nfs/dbraw/zinc/69/46/49/346694649.db2.gz DPLCGEDHGKDSNV-IBGZPJMESA-N 1 0 294.398 3.143 10 0 CGAERO [NH3+]CCCS[C@@H]1c2ccccc2Oc2ncccc21 ZINC000584621132 346695767 /nfs/dbraw/zinc/69/57/67/346695767.db2.gz ASSYHBPLFYJFAL-CQSZACIVSA-N 1 0 272.373 3.359 10 0 CGAERO Cc1cccc(C)c1[C@@]1(O)CC[N@@H+]2CCCC[C@H]2C1 ZINC000584625399 346697144 /nfs/dbraw/zinc/69/71/44/346697144.db2.gz MAZYAQHCVVAFNR-DOTOQJQBSA-N 1 0 259.393 3.139 10 0 CGAERO C[NH+](C)CCCN1CCC2(CC1)CCCCCC2 ZINC000584631043 346699003 /nfs/dbraw/zinc/69/90/03/346699003.db2.gz NIXBLGYXGXNODG-UHFFFAOYSA-N 1 0 252.446 3.375 10 0 CGAERO O[C@]12CCCC[C@@H]1C[N@H+](Cc1cccc3cccnc31)CC2 ZINC000128445974 187371144 /nfs/dbraw/zinc/37/11/44/187371144.db2.gz VJGWAYHIDVSEAZ-MJGOQNOKSA-N 1 0 296.414 3.362 10 0 CGAERO CC[N@@H+]1CCC[C@H](c2ccc(NC=O)c(OC(C)C)c2)C1 ZINC000616220645 348799893 /nfs/dbraw/zinc/79/98/93/348799893.db2.gz HKFWDHRYKYCBPB-HNNXBMFYSA-N 1 0 290.407 3.241 10 0 CGAERO CN(C(=O)OC(C)(C)C)c1ccccc1[C@@H]1CC[N@H+](C)C1 ZINC000616613480 348846449 /nfs/dbraw/zinc/84/64/49/348846449.db2.gz RRJGKEAJOVOIEJ-CYBMUJFWSA-N 1 0 290.407 3.477 10 0 CGAERO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1C(C)(C)C ZINC000616613912 348846629 /nfs/dbraw/zinc/84/66/29/348846629.db2.gz DQGAPLCKLPOUFP-GFCCVEGCSA-N 1 0 270.417 3.164 10 0 CGAERO CCCCS[C@H](C[NH3+])C(F)(F)C(F)(F)F ZINC000616569566 348833765 /nfs/dbraw/zinc/83/37/65/348833765.db2.gz MICNXRBNHQELCO-ZCFIWIBFSA-N 1 0 251.264 3.045 10 0 CGAERO CC(C)[NH+]1CCC(c2ccc3nnccc3c2)CC1 ZINC000616619484 348848423 /nfs/dbraw/zinc/84/84/23/348848423.db2.gz QTKQTZALHDOISP-UHFFFAOYSA-N 1 0 255.365 3.218 10 0 CGAERO CC(C)(C)[N@@H+]1CCOC[C@H](c2cccc3ncccc32)C1 ZINC000616596190 348839209 /nfs/dbraw/zinc/83/92/09/348839209.db2.gz ZRNMBOYUJQUFSX-CQSZACIVSA-N 1 0 284.403 3.449 10 0 CGAERO Nc1cccc(C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000616621388 348848043 /nfs/dbraw/zinc/84/80/43/348848043.db2.gz QNKLKUAPMNMNNQ-UHFFFAOYSA-N 1 0 267.376 3.043 10 0 CGAERO CC(C)[N@@H+]1CCOCC[C@@H]1c1cccc2cccnc21 ZINC000616598946 348841478 /nfs/dbraw/zinc/84/14/78/348841478.db2.gz MAPKMRBAZMFCLN-MRXNPFEDSA-N 1 0 270.376 3.407 10 0 CGAERO CC[N@@H+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)CC1 ZINC000616609695 348844837 /nfs/dbraw/zinc/84/48/37/348844837.db2.gz HCRORUKPOBCZTQ-ZDUSSCGKSA-N 1 0 270.417 3.023 10 0 CGAERO CC[C@@H]1CCCC[N@H+](CCNC(=O)OC(C)(C)C)C1 ZINC000616628366 348851759 /nfs/dbraw/zinc/85/17/59/348851759.db2.gz KCYQFCUAAPQBOF-CYBMUJFWSA-N 1 0 270.417 3.023 10 0 CGAERO c1ncc([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)o1 ZINC000616630357 348852529 /nfs/dbraw/zinc/85/25/29/348852529.db2.gz UJDJANNGVRYZQO-HNNXBMFYSA-N 1 0 256.349 3.444 10 0 CGAERO CC(C)[N@@H+]1CCOC[C@@H]1c1cccc2ccncc21 ZINC000616637394 348853676 /nfs/dbraw/zinc/85/36/76/348853676.db2.gz MIWXJFTTXAAEON-MRXNPFEDSA-N 1 0 256.349 3.017 10 0 CGAERO CC(C)[N@@H+]1CCCO[C@H](c2ccc3ccncc3c2)C1 ZINC000616649925 348855886 /nfs/dbraw/zinc/85/58/86/348855886.db2.gz QAJNVZRFQDJMPC-KRWDZBQOSA-N 1 0 270.376 3.407 10 0 CGAERO CC(C)(C)OC(=O)Nc1cccc([C@@H]2C[NH2+]CCCO2)c1 ZINC000616651492 348857005 /nfs/dbraw/zinc/85/70/05/348857005.db2.gz BEEXGTFHIVMNOZ-AWEZNQCLSA-N 1 0 292.379 3.085 10 0 CGAERO c1ccc(C[N@@H+]2CCCC[C@@H](c3cccnn3)C2)cc1 ZINC000616655512 348857723 /nfs/dbraw/zinc/85/77/23/348857723.db2.gz XMBNHDBBEXKNIL-MRXNPFEDSA-N 1 0 267.376 3.246 10 0 CGAERO Nc1ccccc1[C@H]1CCOCC[N@@H+]1Cc1ccccc1 ZINC000616657446 348857869 /nfs/dbraw/zinc/85/78/69/348857869.db2.gz AEOCWGJVFQUQOF-GOSISDBHSA-N 1 0 282.387 3.232 10 0 CGAERO CNc1ccc([C@H]2CCOCC[N@@H+]2C(C)(C)C)cc1 ZINC000616655918 348858033 /nfs/dbraw/zinc/85/80/33/348858033.db2.gz MHEQOTHBWILRIS-OAHLLOKOSA-N 1 0 262.397 3.290 10 0 CGAERO Nc1cccc([C@H]2CCOCC[N@@H+]2Cc2ccccc2)c1 ZINC000616657578 348858971 /nfs/dbraw/zinc/85/89/71/348858971.db2.gz CIEABVSWMFRGBW-GOSISDBHSA-N 1 0 282.387 3.232 10 0 CGAERO CC[N@@H+]1CCc2ccccc2[C@@H]1c1ccccc1CO ZINC000616677364 348863706 /nfs/dbraw/zinc/86/37/06/348863706.db2.gz LUVUENDFPZNXOT-GOSISDBHSA-N 1 0 267.372 3.146 10 0 CGAERO [NH3+]CCN1CC[C@@H](c2ccccc2F)c2ccccc21 ZINC000616675308 348863909 /nfs/dbraw/zinc/86/39/09/348863909.db2.gz QGDWYHLREORCDH-ZDUSSCGKSA-N 1 0 270.351 3.126 10 0 CGAERO CC[N@@H+]1CCO[C@H](c2cccc3ncccc32)CC1 ZINC000616686417 348867734 /nfs/dbraw/zinc/86/77/34/348867734.db2.gz JZTUEZXBMQQULC-INIZCTEOSA-N 1 0 256.349 3.018 10 0 CGAERO CNc1cccc([C@@H]2CC[N@@H+](C(C)(C)C)CCO2)c1 ZINC000616686948 348868062 /nfs/dbraw/zinc/86/80/62/348868062.db2.gz MKTNJRYHXVIDTR-HNNXBMFYSA-N 1 0 262.397 3.290 10 0 CGAERO CC1(C)CC[C@@H]([NH2+]C[C@@H]2CCCO[C@H]2c2cn[nH]c2)C1 ZINC000624241763 350009387 /nfs/dbraw/zinc/00/93/87/350009387.db2.gz TZCULZGPMJBIPD-NWANDNLSSA-N 1 0 277.412 3.046 10 0 CGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000624258635 350013253 /nfs/dbraw/zinc/01/32/53/350013253.db2.gz OVVSSBBYMGTCAM-VHDGCEQUSA-N 1 0 262.397 3.338 10 0 CGAERO CC[NH2+][C@H]1CCCc2nc(N(C)C[C@@H]3C[C@@H]3C)sc21 ZINC000104412309 185993215 /nfs/dbraw/zinc/99/32/15/185993215.db2.gz HQOJJQDARLXPCM-SRVKXCTJSA-N 1 0 279.453 3.222 10 0 CGAERO CC[C@H]([NH3+])Cc1cc(F)ccc1SCCCOC ZINC000104445537 186004816 /nfs/dbraw/zinc/00/48/16/186004816.db2.gz YGZLPCBAFSZDFM-ZDUSSCGKSA-N 1 0 271.401 3.234 10 0 CGAERO C[C@@H](C(=O)N1CCC[C@@H]1c1ccco1)[NH+]1CCCCCC1 ZINC000116042502 186692618 /nfs/dbraw/zinc/69/26/18/186692618.db2.gz CDNVPKLDYPTIOM-LSDHHAIUSA-N 1 0 290.407 3.208 10 0 CGAERO ClC(Cl)(Cl)CC[NH2+]C1(C2CC2)CCOCC1 ZINC000309653897 302886275 /nfs/dbraw/zinc/88/62/75/302886275.db2.gz UWYSWSBAYXFYNK-UHFFFAOYSA-N 1 0 286.630 3.296 10 0 CGAERO Cc1cnn(CC[NH2+][C@H]2CCCOc3cc(C)ccc32)c1 ZINC000123974037 187116715 /nfs/dbraw/zinc/11/67/15/187116715.db2.gz VGPMETOXVHQORZ-INIZCTEOSA-N 1 0 285.391 3.003 10 0 CGAERO Clc1ccc([C@@H]([NH2+]C[C@@H]2[C@H]3COC[C@H]32)C2CC2)cc1 ZINC000367702328 234244369 /nfs/dbraw/zinc/24/43/69/234244369.db2.gz CBSTWPZYFHJSPL-JONQDZQNSA-N 1 0 277.795 3.273 10 0 CGAERO CCCOc1ccc(NC(=O)[C@H]([NH3+])c2ccccc2)cc1 ZINC000051786203 137915953 /nfs/dbraw/zinc/91/59/53/137915953.db2.gz RMCVGLCRWTWTLM-MRXNPFEDSA-N 1 0 284.359 3.114 10 0 CGAERO C[NH+](C)C[C@H](NC(=O)Nc1ccsc1)c1ccccc1 ZINC000157615302 188328048 /nfs/dbraw/zinc/32/80/48/188328048.db2.gz JTQSDPDPFMXSAB-AWEZNQCLSA-N 1 0 289.404 3.173 10 0 CGAERO c1cc(-c2noc(C[N@@H+]3CC[C@@H](c4ccccc4)C3)n2)co1 ZINC000105608674 138352580 /nfs/dbraw/zinc/35/25/80/138352580.db2.gz PVHFXHBGKUCELL-CQSZACIVSA-N 1 0 295.342 3.319 10 0 CGAERO O[C@@H](C[N@@H+]1CCC[C@H]1c1ccco1)c1cc(F)ccc1F ZINC000116293646 138365696 /nfs/dbraw/zinc/36/56/96/138365696.db2.gz DYUZWKKIQQKDIY-GJZGRUSLSA-N 1 0 293.313 3.428 10 0 CGAERO Cc1ccc(NC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)c(F)c1 ZINC000130113382 138399127 /nfs/dbraw/zinc/39/91/27/138399127.db2.gz VZGDYMRFILUTRC-WBMJQRKESA-N 1 0 286.350 3.409 10 0 CGAERO C[C@H](C(=O)Nc1ccccc1F)[C@@H]([NH3+])c1ccccc1 ZINC000130069322 138399221 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COC1CC([NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000341394083 377547478 /nfs/dbraw/zinc/54/74/78/377547478.db2.gz KQYUECBIPDJESJ-UHFFFAOYSA-N 1 0 265.319 3.122 10 0 CGAERO CC[C@H](CCO)C[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000251092407 377574220 /nfs/dbraw/zinc/57/42/20/377574220.db2.gz PBSVJYDFEAUOKU-LVQVYYBASA-N 1 0 255.446 3.445 10 0 CGAERO C[C@H](CC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C)[S@@](C)=O ZINC000252730614 377658121 /nfs/dbraw/zinc/65/81/21/377658121.db2.gz MCRCPEYCGOZJRA-UHQDVWGKSA-N 1 0 273.486 3.338 10 0 CGAERO O[C@@H]1CCCC[C@H]1[C@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000253094406 377674208 /nfs/dbraw/zinc/67/42/08/377674208.db2.gz NLLCAFVZLRHFJP-RCCFBDPRSA-N 1 0 273.420 3.245 10 0 CGAERO C[C@@H]([NH2+]Cc1coc(-c2cccc(F)c2)n1)[C@@H]1CCCO1 ZINC000183086660 542227052 /nfs/dbraw/zinc/22/70/52/542227052.db2.gz GGFOYAGUQNOXDH-ABAIWWIYSA-N 1 0 290.338 3.138 10 0 CGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cccc2cnccc21 ZINC000183288818 542230955 /nfs/dbraw/zinc/23/09/55/542230955.db2.gz DKZUXQMBICVBOZ-KRWDZBQOSA-N 1 0 283.419 3.151 10 0 CGAERO C/C=C/[C@H]([NH3+])c1cccc(C)c1I ZINC000575565754 377917308 /nfs/dbraw/zinc/91/73/08/377917308.db2.gz DGNBQLWDBPRLPV-GFAPAMAISA-N 1 0 287.144 3.176 10 0 CGAERO [NH3+][C@@H](CCF)c1ccc(Br)cc1Cl ZINC000575440416 377912873 /nfs/dbraw/zinc/91/28/73/377912873.db2.gz UIAHOKZQNWGIJJ-VIFPVBQESA-N 1 0 266.541 3.462 10 0 CGAERO CC(C)(C[N@@H+]1CCCC[C@@H](CO)C1)c1ccccc1 ZINC000378438562 379824837 /nfs/dbraw/zinc/82/48/37/379824837.db2.gz JRWJVYWLUQQVGV-OAHLLOKOSA-N 1 0 261.409 3.059 10 0 CGAERO Cc1cnn(C)c1C[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000352771703 379952735 /nfs/dbraw/zinc/95/27/35/379952735.db2.gz PGKXUTDLXXUTQM-LBPRGKRZSA-N 1 0 261.344 3.027 10 0 CGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c(F)cccc1Cl ZINC000353901737 380226244 /nfs/dbraw/zinc/22/62/44/380226244.db2.gz RTKWJLUXZLSNRV-NWDGAFQWSA-N 1 0 282.790 3.148 10 0 CGAERO CC(C)(C)OC(=O)N[C@H]1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000219290092 542287150 /nfs/dbraw/zinc/28/71/50/542287150.db2.gz RBLJKTZGSCVXKA-UONOGXRCSA-N 1 0 294.370 3.144 10 0 CGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](O)C2)C12CCCCC2 ZINC000226810888 542292192 /nfs/dbraw/zinc/29/21/92/542292192.db2.gz KOSURXGTFXGJAL-LVQVYYBASA-N 1 0 281.440 3.007 10 0 CGAERO Cc1cnc(C[NH2+]C2CCC(C(F)(F)F)CC2)o1 ZINC000235948871 542313325 /nfs/dbraw/zinc/31/33/25/542313325.db2.gz MWHNVMXYYHEXGO-UHFFFAOYSA-N 1 0 262.275 3.194 10 0 CGAERO COc1cc(OC)cc(-c2ccc(C[C@@H](C)[NH3+])cc2)c1 ZINC000234928834 542309706 /nfs/dbraw/zinc/30/97/06/542309706.db2.gz OLRREEBULBKKHO-GFCCVEGCSA-N 1 0 271.360 3.261 10 0 CGAERO O[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CSCCc2ccccc21 ZINC000248166633 542332914 /nfs/dbraw/zinc/33/29/14/542332914.db2.gz TWFUEGLLNQATSB-DJIMGWMZSA-N 1 0 291.460 3.158 10 0 CGAERO CC[C@@H]1CN2CCCC[C@H]2C[N@@H+]1Cc1ccsc1 ZINC000251567310 542346404 /nfs/dbraw/zinc/34/64/04/542346404.db2.gz BTAWQTRSLFPBFM-CABCVRRESA-N 1 0 264.438 3.197 10 0 CGAERO CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000250728565 542344099 /nfs/dbraw/zinc/34/40/99/542344099.db2.gz YINFIFWEQUUPBR-BARDWOONSA-N 1 0 280.456 3.083 10 0 CGAERO CC1(C)CN(C(=O)Nc2ccc(F)cc2Cl)CC[C@@H]1[NH3+] ZINC000335253130 208035068 /nfs/dbraw/zinc/03/50/68/208035068.db2.gz OSLDASBDEGGIKI-LBPRGKRZSA-N 1 0 299.777 3.070 10 0 CGAERO C[C@@H]1C[C@@H]([NH2+]CCN2CC=CCC2)CC(C)(C)C1 ZINC000355555923 533646015 /nfs/dbraw/zinc/64/60/15/533646015.db2.gz ZKCVIWZPYKGEQH-HUUCEWRRSA-N 1 0 250.430 3.053 10 0 CGAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2csc(Cl)c2Cl)C1 ZINC000381551337 542597889 /nfs/dbraw/zinc/59/78/89/542597889.db2.gz ANLJCLJFTXCFED-RKDXNWHRSA-N 1 0 280.220 3.448 10 0 CGAERO CSc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)cc1 ZINC000399047607 542619627 /nfs/dbraw/zinc/61/96/27/542619627.db2.gz FIXYXWGOCMXYHL-RRFJBIMHSA-N 1 0 277.433 3.001 10 0 CGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(SC)cc2)C1 ZINC000048770405 392014889 /nfs/dbraw/zinc/01/48/89/392014889.db2.gz MYTMSLOSFUETSQ-CYBMUJFWSA-N 1 0 293.436 3.014 10 0 CGAERO CC(C)[NH2+]C[C@@H]1CCN(C)[C@@H]1c1cccc(Cl)c1 ZINC000070281681 392180067 /nfs/dbraw/zinc/18/00/67/392180067.db2.gz PJQYDTHPOAWOEL-DZGCQCFKSA-N 1 0 266.816 3.331 10 0 CGAERO OC[C@H]1CCCC[N@H+](CCCCc2ccccc2)C1 ZINC000372487555 392614304 /nfs/dbraw/zinc/61/43/04/392614304.db2.gz QODCXIDDMTZBTR-KRWDZBQOSA-N 1 0 261.409 3.104 10 0 CGAERO COC[C@H](Cc1ccccc1)[NH2+][C@H]1CCOc2ccccc21 ZINC000178275067 392676150 /nfs/dbraw/zinc/67/61/50/392676150.db2.gz RCGRUKHYJLPSKS-WMZOPIPTSA-N 1 0 297.398 3.358 10 0 CGAERO C[C@@H]([NH3+])[C@H](C)C(=O)c1c(Cl)cccc1Br ZINC000307353140 392650156 /nfs/dbraw/zinc/65/01/56/392650156.db2.gz NURPLVWFSOEZAW-NKWVEPMBSA-N 1 0 290.588 3.269 10 0 CGAERO CCn1c(C)nnc1C[NH2+][C@H]1CCC[C@@H]1CCC(C)C ZINC000191877084 392834956 /nfs/dbraw/zinc/83/49/56/392834956.db2.gz SAHZURHVKBUOBD-CABCVRRESA-N 1 0 278.444 3.301 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)[C@@H]1CC2CCC1CC2 ZINC000381688822 392911099 /nfs/dbraw/zinc/91/10/99/392911099.db2.gz NFZUGZVMAWNLFK-KJSUHCOQSA-N 1 0 251.414 3.094 10 0 CGAERO CC(C)=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400322585 392947868 /nfs/dbraw/zinc/94/78/68/392947868.db2.gz AGUGNWWZIAJBFQ-ZIAGYGMSSA-N 1 0 282.428 3.188 10 0 CGAERO CCCCOC[C@@H](O)C[N@@H+]1Cc2ccccc2C[C@@H]1CC ZINC000195219197 392963069 /nfs/dbraw/zinc/96/30/69/392963069.db2.gz LEENPZALUUWNHN-ROUUACIJSA-N 1 0 291.435 3.001 10 0 CGAERO O[C@@]12CCCC[C@H]1C[N@H+](CCCOc1ccccc1)CC2 ZINC000220403484 393004359 /nfs/dbraw/zinc/00/43/59/393004359.db2.gz PKKBCJTXCWPDOQ-FUHWJXTLSA-N 1 0 289.419 3.083 10 0 CGAERO Cc1ccsc1C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000245546242 393042711 /nfs/dbraw/zinc/04/27/11/393042711.db2.gz VFGOJBRSXMTHGD-CHWSQXEVSA-N 1 0 251.395 3.200 10 0 CGAERO C[NH+]1CCN(c2ccccc2Cc2ccccc2)CC1 ZINC000000002068 134516574 /nfs/dbraw/zinc/51/65/74/134516574.db2.gz SDJWUEKTZZQYLK-UHFFFAOYSA-N 1 0 266.388 3.029 10 0 in-man CGAERO CC[C@H]1CN(c2cc(Cl)ccc2C)[C@H](C)C[NH2+]1 ZINC000083394214 135018065 /nfs/dbraw/zinc/01/80/65/135018065.db2.gz OVQAFQLDOQPTIU-YPMHNXCESA-N 1 0 252.789 3.225 10 0 CGAERO CC(C)[C@H]1CN(c2ccccc2Cl)[C@H](C)C[NH2+]1 ZINC000083394253 135018087 /nfs/dbraw/zinc/01/80/87/135018087.db2.gz IFXKYFWOFRPZDY-DGCLKSJQSA-N 1 0 252.789 3.163 10 0 CGAERO CSc1cccc(N2C[C@H](C(C)C)[NH2+]C[C@H]2C)c1 ZINC000083480024 135024317 /nfs/dbraw/zinc/02/43/17/135024317.db2.gz LSWLFMGMWOTZFS-IUODEOHRSA-N 1 0 264.438 3.231 10 0 CGAERO CC[C@@H]1CN(c2cccc(SC)c2)[C@@H](CC)C[NH2+]1 ZINC000083480035 135024340 /nfs/dbraw/zinc/02/43/40/135024340.db2.gz JGQPGALMTXQYSY-OLZOCXBDSA-N 1 0 264.438 3.375 10 0 CGAERO CC[C@H]1CN(c2cccc(Cl)c2F)[C@@H](CC)C[NH2+]1 ZINC000083518210 135026619 /nfs/dbraw/zinc/02/66/19/135026619.db2.gz QUPWUVSXFOZSEK-QWRGUYRKSA-N 1 0 270.779 3.446 10 0 CGAERO CC[C@@H]1CN(c2ccc(N(CC)CC)cc2)[C@H](C)C[NH2+]1 ZINC000083545970 135028981 /nfs/dbraw/zinc/02/89/81/135028981.db2.gz YUSXQSQQKOGNHP-HUUCEWRRSA-N 1 0 275.440 3.110 10 0 CGAERO CCOc1cccc(N2C[C@@H](C(C)C)[NH2+]C[C@H]2CC)c1 ZINC000083549686 135029682 /nfs/dbraw/zinc/02/96/82/135029682.db2.gz DWDYYQZCGKSKLN-PBHICJAKSA-N 1 0 276.424 3.298 10 0 CGAERO Brc1cc(C[NH2+]CC[C@@H]2CCCO2)cs1 ZINC000037988554 397609377 /nfs/dbraw/zinc/60/93/77/397609377.db2.gz RREMWPSDFXZZHA-JTQLQIEISA-N 1 0 290.226 3.169 10 0 CGAERO CC[C@](C)([NH3+])c1ncc(Br)cc1Cl ZINC000306556140 397678298 /nfs/dbraw/zinc/67/82/98/397678298.db2.gz LIERBWMXGPCGIV-VIFPVBQESA-N 1 0 263.566 3.081 10 0 CGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCOc1cncc(Cl)c1 ZINC000675076852 543313263 /nfs/dbraw/zinc/31/32/63/543313263.db2.gz SQORLRPFRSOGNP-VXGBXAGGSA-N 1 0 268.788 3.377 10 0 CGAERO C[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)C(C)(C)C ZINC000112460859 286953770 /nfs/dbraw/zinc/95/37/70/286953770.db2.gz WMKBDCIWWJKBEO-HUUCEWRRSA-N 1 0 295.471 3.081 10 0 CGAERO C[C@@H](NC(=O)[C@@]1(C)CC[NH2+]C1)c1ccc(C(C)(C)C)cc1 ZINC000062891807 286961419 /nfs/dbraw/zinc/96/14/19/286961419.db2.gz WKJJOPDGMUECPI-ACJLOTCBSA-N 1 0 288.435 3.161 10 0 CGAERO C[C@H]1C[C@@H]([NH2+][C@H](CO)Cc2ccccc2)CC(C)(C)C1 ZINC000063217948 286962391 /nfs/dbraw/zinc/96/23/91/286962391.db2.gz QYKPHMMRNLHDSG-UAGQMJEPSA-N 1 0 275.436 3.394 10 0 CGAERO CCC1CCC(NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000072881485 286999693 /nfs/dbraw/zinc/99/96/93/286999693.db2.gz BNNFBYWJBCOZTQ-UHFFFAOYSA-N 1 0 280.456 3.192 10 0 CGAERO C[NH2+]Cc1cccc(NC(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000063008262 165032007 /nfs/dbraw/zinc/03/20/07/165032007.db2.gz KCMCEAQOWYRXPL-UHFFFAOYSA-N 1 0 294.276 3.076 10 0 CGAERO COc1ccc([C@H]2C[C@@H](C)[N@H+](Cc3ccccn3)C2)cc1 ZINC000076393185 165108504 /nfs/dbraw/zinc/10/85/04/165108504.db2.gz UAKHQFABTYMSSR-ZBFHGGJFSA-N 1 0 282.387 3.468 10 0 CGAERO CC(C)CCC[C@@H](C)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089732847 165213950 /nfs/dbraw/zinc/21/39/50/165213950.db2.gz VDDJBJFAGASAAS-HZPDHXFCSA-N 1 0 290.455 3.250 10 0 CGAERO COc1ccc([C@@H]([NH2+]CC(C)(C)OC)C2CC2)cc1 ZINC000091370615 165261394 /nfs/dbraw/zinc/26/13/94/165261394.db2.gz KINLWVPBFFHSDY-HNNXBMFYSA-N 1 0 263.381 3.161 10 0 CGAERO CCC[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(Cl)cc1 ZINC000091667030 165265407 /nfs/dbraw/zinc/26/54/07/165265407.db2.gz WLRURNVUXCWMGU-HOTGVXAUSA-N 1 0 296.842 3.101 10 0 CGAERO c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000091978874 165277171 /nfs/dbraw/zinc/27/71/71/165277171.db2.gz GSKLHCIRACRQPE-IRXDYDNUSA-N 1 0 297.402 3.220 10 0 CGAERO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000091284707 287107198 /nfs/dbraw/zinc/10/71/98/287107198.db2.gz FVGFZQGTXVUKPH-JMSVASOKSA-N 1 0 267.800 3.428 10 0 CGAERO C[NH2+]C[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000092132465 165282068 /nfs/dbraw/zinc/28/20/68/165282068.db2.gz YNSBINMGKDRYFX-ZDUSSCGKSA-N 1 0 268.360 3.148 10 0 CGAERO C[NH2+]Cc1cccc(NC(=O)[C@@H]2CSc3ccccc32)c1 ZINC000092239128 165285695 /nfs/dbraw/zinc/28/56/95/165285695.db2.gz UPCCWQWQSXQYJB-OAHLLOKOSA-N 1 0 298.411 3.234 10 0 CGAERO Cc1csc([C@H]2CCC[N@H+](Cc3cc[nH]c3)C2)n1 ZINC000092788246 165311126 /nfs/dbraw/zinc/31/11/26/165311126.db2.gz CJPYPQHWADBKAE-ZDUSSCGKSA-N 1 0 261.394 3.159 10 0 CGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)c1ccsc1)CC2 ZINC000180517161 165657614 /nfs/dbraw/zinc/65/76/14/165657614.db2.gz FABHXRJCQPHFMP-WCQYABFASA-N 1 0 290.436 3.129 10 0 CGAERO CCC1CCC(NC(=O)N2CCC([NH2+]C(C)C)CC2)CC1 ZINC000111833749 287137361 /nfs/dbraw/zinc/13/73/61/287137361.db2.gz CTFMFKFMUGVYPY-UHFFFAOYSA-N 1 0 295.471 3.127 10 0 CGAERO CC1(C)CN(C(=O)c2ccc3ccccc3c2)CC[C@@H]1[NH3+] ZINC000261694605 165827901 /nfs/dbraw/zinc/82/79/01/165827901.db2.gz NPEJWZMUJYGVIQ-INIZCTEOSA-N 1 0 282.387 3.039 10 0 CGAERO C[NH2+]CCc1nc(-c2ccccc2Cl)cs1 ZINC000003708418 169908519 /nfs/dbraw/zinc/90/85/19/169908519.db2.gz MVYSISDJJPNFDW-UHFFFAOYSA-N 1 0 252.770 3.225 10 0 CGAERO CCOc1ccc([C@H]([NH3+])Cc2nc3ccccc3[nH]2)cc1 ZINC000008324370 170330938 /nfs/dbraw/zinc/33/09/38/170330938.db2.gz WRHUWBVPVVQPAE-CQSZACIVSA-N 1 0 281.359 3.204 10 0 CGAERO COc1cccc(C[C@H]([NH3+])Cc2cccc(Cl)c2)c1 ZINC000011601027 170425554 /nfs/dbraw/zinc/42/55/54/170425554.db2.gz XFPZJGSEVKZLJG-OAHLLOKOSA-N 1 0 275.779 3.461 10 0 CGAERO COCCOc1ccc([C@@H]([NH3+])C2CCCCC2)cc1 ZINC000015014420 170653376 /nfs/dbraw/zinc/65/33/76/170653376.db2.gz MXCPAKSFISFQIT-INIZCTEOSA-N 1 0 263.381 3.292 10 0 CGAERO COc1ccc(C)cc1[C@@H]([NH3+])COc1cccc(C)c1 ZINC000019257313 170759974 /nfs/dbraw/zinc/75/99/74/170759974.db2.gz OYNSRVHPLGGICD-INIZCTEOSA-N 1 0 271.360 3.391 10 0 CGAERO CCOc1ccc(C(=O)Nc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000019267926 170765722 /nfs/dbraw/zinc/76/57/22/170765722.db2.gz OXLBQMHCVKZKTF-LBPRGKRZSA-N 1 0 284.359 3.357 10 0 CGAERO CCc1cccc(O[C@H](C[NH3+])c2ccc(F)cc2)c1 ZINC000019671456 170836168 /nfs/dbraw/zinc/83/61/68/170836168.db2.gz BCQTVNUDDXSSJH-MRXNPFEDSA-N 1 0 259.324 3.467 10 0 CGAERO [NH3+][C@H](c1cccc(Cl)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000019968199 170949914 /nfs/dbraw/zinc/94/99/14/170949914.db2.gz FRKLJIXCHDQKKZ-MRXNPFEDSA-N 1 0 286.762 3.273 10 0 CGAERO Cc1cc(C)c([C@@H](CN)[NH+]2CCCCCC2)c(C)c1 ZINC000020081676 170986361 /nfs/dbraw/zinc/98/63/61/170986361.db2.gz FWCMJQXQCCGCBP-MRXNPFEDSA-N 1 0 260.425 3.488 10 0 CGAERO Cc1ccc([C@@H]([NH2+]CCCO)c2ccccc2)c(C)c1 ZINC000020188227 171053632 /nfs/dbraw/zinc/05/36/32/171053632.db2.gz MXXBQXGGWXZAPC-SFHVURJKSA-N 1 0 269.388 3.365 10 0 CGAERO CN(CC1CCCCC1)[C@H](C[NH3+])c1ccccc1F ZINC000020225631 171088127 /nfs/dbraw/zinc/08/81/27/171088127.db2.gz VYASGKQLVGVDCG-MRXNPFEDSA-N 1 0 264.388 3.338 10 0 CGAERO COc1ccccc1[C@H](C[NH3+])N(C)CC1CCCCC1 ZINC000020225785 171089952 /nfs/dbraw/zinc/08/99/52/171089952.db2.gz ANIKGQIDZXMOJX-INIZCTEOSA-N 1 0 276.424 3.207 10 0 CGAERO [NH3+]C[C@@H](c1cccc(Cl)c1)N1CCc2ccccc2C1 ZINC000020225941 171090083 /nfs/dbraw/zinc/09/00/83/171090083.db2.gz XTBFDRHPSLXFIG-KRWDZBQOSA-N 1 0 286.806 3.398 10 0 CGAERO COc1cccc([C@@H](C[NH3+])N(C)Cc2cccc(C)c2)c1 ZINC000020225800 171090517 /nfs/dbraw/zinc/09/05/17/171090517.db2.gz LBZYPLRRHJLKSH-GOSISDBHSA-N 1 0 284.403 3.135 10 0 CGAERO [NH3+]CCCCCC(=O)Nc1cccc(Cl)c1Cl ZINC000020246462 171100183 /nfs/dbraw/zinc/10/01/83/171100183.db2.gz HLJYOGLCLXQHHT-UHFFFAOYSA-N 1 0 275.179 3.451 10 0 CGAERO CCCNC(=O)[C@H](C)[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000020316382 171146969 /nfs/dbraw/zinc/14/69/69/171146969.db2.gz NILWJRCIFNWPPR-YIUBPGBESA-N 1 0 292.467 3.096 10 0 CGAERO COc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH3+])cc1 ZINC000020390828 171179411 /nfs/dbraw/zinc/17/94/11/171179411.db2.gz ISOVPCCOZYBFAT-UHFFFAOYSA-N 1 0 297.333 3.146 10 0 CGAERO [NH3+]Cc1ccc(C(=O)Nc2cccc(Cl)c2F)cc1 ZINC000020472612 171215762 /nfs/dbraw/zinc/21/57/62/171215762.db2.gz OJFPYUFLGDBRNL-UHFFFAOYSA-N 1 0 278.714 3.190 10 0 CGAERO CC[C@@H](c1cccc(Cl)c1)N1CCC([NH3+])CC1 ZINC000020521476 171235227 /nfs/dbraw/zinc/23/52/27/171235227.db2.gz ZWRTXXDVHZLMFM-AWEZNQCLSA-N 1 0 252.789 3.214 10 0 CGAERO Cc1cc2ncc([C@@H](C)[NH2+][C@@H](C)C(C)C)c(C)n2n1 ZINC000020522542 171235492 /nfs/dbraw/zinc/23/54/92/171235492.db2.gz RQLDTXAMQVACGP-NWDGAFQWSA-N 1 0 260.385 3.041 10 0 CGAERO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(C)C)c(OC)c1 ZINC000020522801 171235494 /nfs/dbraw/zinc/23/54/94/171235494.db2.gz KFCVDBIMIYNOFO-NWDGAFQWSA-N 1 0 251.370 3.399 10 0 CGAERO C[N@H+]1[C@@H]2CC[C@H]1CC(Nc1ccccc1Cl)C2 ZINC000020523907 171236676 /nfs/dbraw/zinc/23/66/76/171236676.db2.gz RHBSWUOKFUDKBJ-YOGCLGLASA-N 1 0 250.773 3.377 10 0 CGAERO C[C@H]1CCC[C@H]([NH2+][C@@H](CN(C)C)c2ccccc2)C1 ZINC000020561327 171251768 /nfs/dbraw/zinc/25/17/68/171251768.db2.gz FTUNIKSAAGBKJS-XIRDDKMYSA-N 1 0 260.425 3.458 10 0 CGAERO Oc1cccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000020595997 171264624 /nfs/dbraw/zinc/26/46/24/171264624.db2.gz BHFXPLQLSDSDIH-INIZCTEOSA-N 1 0 268.360 3.079 10 0 CGAERO CCCOc1ccc(C[NH2+]CCCCCO)cc1OCC ZINC000020933572 171281218 /nfs/dbraw/zinc/28/12/18/171281218.db2.gz VXRVPAZEEGSAEL-UHFFFAOYSA-N 1 0 295.423 3.126 10 0 CGAERO CCC(C)(C)C1CCC(C[NH3+])(N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000021012916 171288551 /nfs/dbraw/zinc/28/85/51/171288551.db2.gz MJXQYJNLEZAMQM-SFYZZRBRSA-N 1 0 296.499 3.420 10 0 CGAERO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000021720932 171321143 /nfs/dbraw/zinc/32/11/43/171321143.db2.gz YZZUJWFDLDMEBG-AWEZNQCLSA-N 1 0 271.364 3.278 10 0 CGAERO COCCO[C@H]1CCCCCCCCCC[C@H]1[NH3+] ZINC000021817245 171332930 /nfs/dbraw/zinc/33/29/30/171332930.db2.gz DMBSPNCPHGDQQE-CABCVRRESA-N 1 0 257.418 3.260 10 0 CGAERO C[C@H]1CCCC[N@@H+]1CCCC(=O)Nc1ccc(F)cc1N ZINC000022155185 171361585 /nfs/dbraw/zinc/36/15/85/171361585.db2.gz HXSPOWWOKBDZME-LBPRGKRZSA-N 1 0 293.386 3.001 10 0 CGAERO CC[N@H+](CC(=O)Nc1ccc(N)cc1C)C1CCCCC1 ZINC000022164132 171365255 /nfs/dbraw/zinc/36/52/55/171365255.db2.gz ZFKXYXITCSTZDB-UHFFFAOYSA-N 1 0 289.423 3.170 10 0 CGAERO COc1ccc(NC(=O)Nc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000022176022 171370556 /nfs/dbraw/zinc/37/05/56/171370556.db2.gz HNVDSTAGFWAOES-NSHDSACASA-N 1 0 285.347 3.359 10 0 CGAERO CCOc1ccccc1[C@@H](C[NH3+])N(C)c1ccccc1 ZINC000022210937 171373698 /nfs/dbraw/zinc/37/36/98/171373698.db2.gz WPDYHTJDJPZHSI-MRXNPFEDSA-N 1 0 270.376 3.222 10 0 CGAERO CCOc1ccccc1C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000022221818 171378317 /nfs/dbraw/zinc/37/83/17/171378317.db2.gz ZGYDHIMPHQATJI-LBPRGKRZSA-N 1 0 284.359 3.357 10 0 CGAERO CCOc1ccccc1C(=O)Nc1ccccc1[C@@H](C)[NH3+] ZINC000022223193 171379246 /nfs/dbraw/zinc/37/92/46/171379246.db2.gz XHGSVHNXFCQBHW-GFCCVEGCSA-N 1 0 284.359 3.357 10 0 CGAERO COc1ccc(OC[C@@H]([NH3+])c2cc(C)ccc2C)cc1 ZINC000022563355 171391271 /nfs/dbraw/zinc/39/12/71/171391271.db2.gz URIITJVFRWMIJP-QGZVFWFLSA-N 1 0 271.360 3.391 10 0 CGAERO Cc1ccc([C@H]([NH3+])CN2CCc3ccccc3C2)c(C)c1 ZINC000022565962 171392039 /nfs/dbraw/zinc/39/20/39/171392039.db2.gz NBJYEJLBTBROGX-LJQANCHMSA-N 1 0 280.415 3.362 10 0 CGAERO Cc1ccc(O[C@@H]2Cc3ccccc3[C@@H]2[NH3+])cc1C ZINC000022567221 171392559 /nfs/dbraw/zinc/39/25/59/171392559.db2.gz RBLIQFIMQMJNBX-SJORKVTESA-N 1 0 253.345 3.307 10 0 CGAERO CC1CCC(C[NH3+])(N2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000035176767 172030407 /nfs/dbraw/zinc/03/04/07/172030407.db2.gz BKOUXVURSBPZSK-JCCCHCCOSA-N 1 0 264.457 3.406 10 0 CGAERO C[C@H]([NH2+][C@H]1CCc2ccccc21)C(=O)Nc1ccccc1 ZINC000035180563 172034455 /nfs/dbraw/zinc/03/44/55/172034455.db2.gz VFMWYOWBTKTGDQ-GUYCJALGSA-N 1 0 280.371 3.291 10 0 CGAERO CC(C)[NH2+]C[C@H](O)COc1ccc(Cl)c2ccccc12 ZINC000035232079 172072075 /nfs/dbraw/zinc/07/20/75/172072075.db2.gz AYDFPRRFARMWED-LBPRGKRZSA-N 1 0 293.794 3.231 10 0 CGAERO COc1ccc(C(C)=O)cc1C[N@H+](C)[C@@H](C)C(C)C ZINC000035255581 172085213 /nfs/dbraw/zinc/08/52/13/172085213.db2.gz LMUSXEBJPOFNQE-LBPRGKRZSA-N 1 0 263.381 3.374 10 0 CGAERO Cc1cc([C@H]([NH3+])c2ccc3c(c2)C[C@H](C)O3)c(C)o1 ZINC000035382585 172165001 /nfs/dbraw/zinc/16/50/01/172165001.db2.gz LXLKTUUWADMYCL-XXFAHNHDSA-N 1 0 257.333 3.268 10 0 CGAERO CC[NH2+]Cc1cccc(OC)c1OCCC(C)C ZINC000035413663 172186529 /nfs/dbraw/zinc/18/65/29/172186529.db2.gz VWSFAOPAKPLGNA-UHFFFAOYSA-N 1 0 251.370 3.230 10 0 CGAERO CCCOc1ccc(C[NH3+])c(OCCC(C)C)c1 ZINC000035413874 172186957 /nfs/dbraw/zinc/18/69/57/172186957.db2.gz INVFAQLSEYLCAW-UHFFFAOYSA-N 1 0 251.370 3.359 10 0 CGAERO C[NH2+][C@@H](c1sccc1C)c1ccc2c(c1)CCO2 ZINC000035467741 172215860 /nfs/dbraw/zinc/21/58/60/172215860.db2.gz DKDSTTWQVMPHRJ-CQSZACIVSA-N 1 0 259.374 3.300 10 0 CGAERO C[NH2+][C@H](c1sccc1C)c1ccc2c(c1)OCCO2 ZINC000035469629 172221150 /nfs/dbraw/zinc/22/11/50/172221150.db2.gz QVSFOVPBOPOFSD-AWEZNQCLSA-N 1 0 275.373 3.137 10 0 CGAERO CC[C@@H](C)[C@H]([NH2+]C)c1ccc2c(c1)CCCC(=O)N2 ZINC000035503367 172237533 /nfs/dbraw/zinc/23/75/33/172237533.db2.gz TXBBUQVQKLOWMH-BZNIZROVSA-N 1 0 260.381 3.268 10 0 CGAERO C[NH2+][C@H](Cc1ncc[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000035504007 172237863 /nfs/dbraw/zinc/23/78/63/172237863.db2.gz QHFZSODFRWLHHS-LLVKDONJSA-N 1 0 270.163 3.220 10 0 CGAERO CC[NH2+][C@@H](C)c1cc(OC)c(OC)cc1Br ZINC000035551038 172258094 /nfs/dbraw/zinc/25/80/94/172258094.db2.gz WPEYMTKRCOGYNH-QMMMGPOBSA-N 1 0 288.185 3.137 10 0 CGAERO CC[NH2+][C@H](Cc1ncc[nH]1)c1c(F)cccc1Cl ZINC000035570517 172265844 /nfs/dbraw/zinc/26/58/44/172265844.db2.gz VPPDTCGYAPCSCN-LLVKDONJSA-N 1 0 267.735 3.096 10 0 CGAERO C[C@H](O)c1ccc2ccccc2c1OCC[NH+]1CCCC1 ZINC000035627971 172306964 /nfs/dbraw/zinc/30/69/64/172306964.db2.gz DFISKMXKBJEOBH-AWEZNQCLSA-N 1 0 285.387 3.368 10 0 CGAERO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccncc2)cc1 ZINC000035647980 172324918 /nfs/dbraw/zinc/32/49/18/172324918.db2.gz PWIWENHMKZNANP-ZIAGYGMSSA-N 1 0 270.376 3.372 10 0 CGAERO C[C@H]1CCC[C@@](C[NH3+])(N(C)Cc2cccs2)C1 ZINC000035717230 172371296 /nfs/dbraw/zinc/37/12/96/172371296.db2.gz SAGZDFBLCVMTHE-GXTWGEPZSA-N 1 0 252.427 3.088 10 0 CGAERO CC[C@H](CC[NH3+])Sc1ccc(C(F)(F)F)cn1 ZINC000035723686 172378971 /nfs/dbraw/zinc/37/89/71/172378971.db2.gz LEFQBZRFJQTEQX-SECBINFHSA-N 1 0 264.316 3.320 10 0 CGAERO COc1ccc(S[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000035723801 172379319 /nfs/dbraw/zinc/37/93/19/172379319.db2.gz UTHBVTNHNIJQDH-RISCZKNCSA-N 1 0 251.395 3.305 10 0 CGAERO [NH3+]C[C@H]1CCCC[C@H]1Sc1nc2ccccc2o1 ZINC000035724433 172379320 /nfs/dbraw/zinc/37/93/20/172379320.db2.gz OAKGJECNVGIBHP-ZWNOBZJWSA-N 1 0 262.378 3.437 10 0 CGAERO Cc1cc2c(nc(Cl)nc2NCCCC[NH+](C)C)s1 ZINC000036277630 172568569 /nfs/dbraw/zinc/56/85/69/172568569.db2.gz CSSZBLRZPQRSKL-UHFFFAOYSA-N 1 0 298.843 3.407 10 0 CGAERO COc1ccc([C@H]([NH3+])Cc2nc(C)cs2)cc1C ZINC000036281209 172571745 /nfs/dbraw/zinc/57/17/45/172571745.db2.gz FFUOVWZYBGANGV-GFCCVEGCSA-N 1 0 262.378 3.011 10 0 CGAERO CC(C)(C)OC(=O)N1CCC[C@H]1CC[NH+]1CCCCC1 ZINC000036375395 172626175 /nfs/dbraw/zinc/62/61/75/172626175.db2.gz CBWCNVPIOYSYGZ-AWEZNQCLSA-N 1 0 282.428 3.262 10 0 CGAERO CCC[NH+]1CCC(Nc2ccccc2COC)CC1 ZINC000036938533 172816722 /nfs/dbraw/zinc/81/67/22/172816722.db2.gz UISIHUQZBFSXIS-UHFFFAOYSA-N 1 0 262.397 3.119 10 0 CGAERO COC(=O)c1ccccc1C[NH2+][C@H]1CCCC[C@@H]1C ZINC000037211370 173033111 /nfs/dbraw/zinc/03/31/11/173033111.db2.gz LTEFMTPBYPPOIT-WFASDCNBSA-N 1 0 261.365 3.142 10 0 CGAERO CC(C)(C)n1cc(C[NH2+][C@@H]2CCOc3ccccc32)cn1 ZINC000037303485 173109038 /nfs/dbraw/zinc/10/90/38/173109038.db2.gz HFGHVWHGDGGRMP-OAHLLOKOSA-N 1 0 285.391 3.252 10 0 CGAERO Cc1c(C)c(C)c([C@H](O)C2CC[NH2+]CC2)c(C)c1C ZINC000037327925 173128059 /nfs/dbraw/zinc/12/80/59/173128059.db2.gz QBKNWZUVPRIFFS-QGZVFWFLSA-N 1 0 261.409 3.262 10 0 CGAERO COc1ccc(C(=O)[C@H](C)[N@H+](C)C2CCCC2)cc1 ZINC000037334768 173135437 /nfs/dbraw/zinc/13/54/37/173135437.db2.gz GISVYUCSMHDNEB-LBPRGKRZSA-N 1 0 261.365 3.141 10 0 CGAERO [NH3+][C@H](c1ccccc1)c1ccc2c(c1)CCCC(=O)N2 ZINC000037371257 173160342 /nfs/dbraw/zinc/16/03/42/173160342.db2.gz ZRHRSHFZHFDKMN-QGZVFWFLSA-N 1 0 266.344 3.010 10 0 CGAERO COC(C[NH2+]Cc1ccc(SC(F)(F)F)cc1)OC ZINC000037395222 173175478 /nfs/dbraw/zinc/17/54/78/173175478.db2.gz HGUGNNOCOGQUOM-UHFFFAOYSA-N 1 0 295.326 3.007 10 0 CGAERO CC(C)C[C@@H]([NH3+])c1nc2cccc(Cl)c2n1C ZINC000037443473 173212124 /nfs/dbraw/zinc/21/21/24/173212124.db2.gz OZEUPKWVPLGJBM-SNVBAGLBSA-N 1 0 251.761 3.273 10 0 CGAERO CCC[NH2+][C@@H]1CCN(c2cccc(Cl)c2C)C1 ZINC000037635668 173583634 /nfs/dbraw/zinc/58/36/34/173583634.db2.gz DKOAFLIPZAKGFU-GFCCVEGCSA-N 1 0 252.789 3.227 10 0 CGAERO Cc1cccc(COc2ccccc2C[C@H](C)[NH3+])c1 ZINC000037724255 173642991 /nfs/dbraw/zinc/64/29/91/173642991.db2.gz AUOCTNSVMNBVPD-AWEZNQCLSA-N 1 0 255.361 3.464 10 0 CGAERO CCOc1cccc(N[C@H](C)[C@@H]2CCC[N@H+](C)C2)c1 ZINC000037780512 173711116 /nfs/dbraw/zinc/71/11/16/173711116.db2.gz IHNQKWKBDLUZHE-ZIAGYGMSSA-N 1 0 262.397 3.228 10 0 CGAERO CC[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1ccc(O)cc1 ZINC000038009324 173974405 /nfs/dbraw/zinc/97/44/05/173974405.db2.gz XDZFJHHUVNUNDD-IRXDYDNUSA-N 1 0 283.371 3.437 10 0 CGAERO Nc1cccc2c1CC[N@H+](Cc1c[nH]c3ccccc13)C2 ZINC000038032731 174029668 /nfs/dbraw/zinc/02/96/68/174029668.db2.gz SKXVBCAZHKJLPL-UHFFFAOYSA-N 1 0 277.371 3.308 10 0 CGAERO Cc1cc([C@H]([NH3+])c2ccc3c(c2)CCCO3)c(C)o1 ZINC000038057644 174068224 /nfs/dbraw/zinc/06/82/24/174068224.db2.gz DIJJOERNKREEMG-MRXNPFEDSA-N 1 0 257.333 3.270 10 0 CGAERO C[NH2+][C@H](Cc1cc(C)cc(C)c1)Cc1ccccn1 ZINC000038077447 174088300 /nfs/dbraw/zinc/08/83/00/174088300.db2.gz ZTMVCUVDPWJDAK-QGZVFWFLSA-N 1 0 254.377 3.072 10 0 CGAERO CCCCC1CCC(C(=O)N[C@@](C)(C[NH3+])C(C)C)CC1 ZINC000127458959 287288532 /nfs/dbraw/zinc/28/85/32/287288532.db2.gz JSDDXUHSIAQGCP-DQPZFDDXSA-N 1 0 282.472 3.473 10 0 CGAERO [NH3+][C@@H](Cc1ccc(F)cc1)c1cc(F)cc(F)c1 ZINC000038129125 174131456 /nfs/dbraw/zinc/13/14/56/174131456.db2.gz HGNGUTNTRBTLKX-AWEZNQCLSA-N 1 0 251.251 3.346 10 0 CGAERO C[NH+](C)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000038921070 174159551 /nfs/dbraw/zinc/15/95/51/174159551.db2.gz QWCKPGXZMZCXJD-UHFFFAOYSA-N 1 0 266.388 3.022 10 0 CGAERO CCC[NH2+]Cc1csc(-c2cccc(OC)c2)n1 ZINC000040418832 174256871 /nfs/dbraw/zinc/25/68/71/174256871.db2.gz AJFMPHAKQVKNKB-UHFFFAOYSA-N 1 0 262.378 3.318 10 0 CGAERO C[NH2+][C@@H](c1c[nH]c2ccccc21)c1ccc(OC)c(OC)c1 ZINC000040542099 174323153 /nfs/dbraw/zinc/32/31/53/174323153.db2.gz JPLRNGPEGRMJQS-GOSISDBHSA-N 1 0 296.370 3.494 10 0 CGAERO Clc1cccc(NC[C@H]2CCC[NH2+]C2)c1Cl ZINC000041343874 174526707 /nfs/dbraw/zinc/52/67/07/174526707.db2.gz UIUXAGFBWJKYNJ-VIFPVBQESA-N 1 0 259.180 3.405 10 0 CGAERO CC[NH2+][C@H](C)c1ccccc1N(CC)[C@@H](C)COC ZINC000042769169 174870761 /nfs/dbraw/zinc/87/07/61/174870761.db2.gz GLCMFEQYYUIWLU-UONOGXRCSA-N 1 0 264.413 3.218 10 0 CGAERO CC(C)c1nn(C)cc1C[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000042859523 174893100 /nfs/dbraw/zinc/89/31/00/174893100.db2.gz FEMJOUDNYIYZEB-KBPBESRZSA-N 1 0 263.429 3.459 10 0 CGAERO CC[C@@H]([NH3+])[C@@H](O[C@@H](C)CC)c1cccc(OC)c1 ZINC000043031206 174948859 /nfs/dbraw/zinc/94/88/59/174948859.db2.gz YADAOZYFOLBGEM-GLQYFDAESA-N 1 0 251.370 3.289 10 0 CGAERO Cc1nn([C@H](c2ccccc2C)[C@@H](C)[NH3+])c(C)c1C ZINC000043037961 174952797 /nfs/dbraw/zinc/95/27/97/174952797.db2.gz CTHBBBKGCJBPPR-WBMJQRKESA-N 1 0 257.381 3.053 10 0 CGAERO CC[C@@H](CCc1cc(Br)cs1)[NH2+]C ZINC000043688047 175094906 /nfs/dbraw/zinc/09/49/06/175094906.db2.gz QBXZHAZVDCUMSN-VIFPVBQESA-N 1 0 262.216 3.441 10 0 CGAERO Cc1ccc(C)c([C@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000044123390 175143161 /nfs/dbraw/zinc/14/31/61/175143161.db2.gz GBUATBAMEGKRAD-GOSISDBHSA-N 1 0 269.388 3.469 10 0 CGAERO CC(C)CC[C@@H]1CCC[N@@H+]1C[C@H](O)COC(C)(C)C ZINC000127932196 287299477 /nfs/dbraw/zinc/29/94/77/287299477.db2.gz JSPUTKRVGQDFFI-GJZGRUSLSA-N 1 0 271.445 3.063 10 0 CGAERO CCCCCC[NH2+]Cc1nn(C)nc1-c1ccccc1 ZINC000045944760 175387521 /nfs/dbraw/zinc/38/75/21/175387521.db2.gz QXJVDTPQHABYPK-UHFFFAOYSA-N 1 0 272.396 3.152 10 0 CGAERO CCOc1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000128422017 287310586 /nfs/dbraw/zinc/31/05/86/287310586.db2.gz PSIGPWZBBAEYQI-AEFFLSMTSA-N 1 0 289.419 3.212 10 0 CGAERO O[C@]12CCCC[C@@H]1C[N@H+](CCCc1ccccc1)CC2 ZINC000128366979 287309262 /nfs/dbraw/zinc/30/92/62/287309262.db2.gz YEZYPIHUSAWLOL-MSOLQXFVSA-N 1 0 273.420 3.246 10 0 CGAERO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1cccc(Cl)c1)CC2 ZINC000128359924 287309284 /nfs/dbraw/zinc/30/92/84/287309284.db2.gz PWIPRCWWWFGIAM-GDBMZVCRSA-N 1 0 279.811 3.467 10 0 CGAERO 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ONENTFVMVDTYBL-OAHLLOKOSA-N 1 0 287.407 3.106 10 0 CGAERO CC[C@@H]([NH2+]C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000662349231 419400595 /nfs/dbraw/zinc/40/05/95/419400595.db2.gz ZGFCTQXZSXFUFG-PRHODGIISA-N 1 0 289.206 3.169 10 0 CGAERO C[C@@H]1C[C@@H]([NH2+]C2CC(CO)C2)C[C@@H](c2ccccc2)C1 ZINC000657810773 419363473 /nfs/dbraw/zinc/36/34/73/419363473.db2.gz KUBPFJSHAMTQES-KJMCLAQRSA-N 1 0 273.420 3.319 10 0 CGAERO COC[C@H](CC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C)OC ZINC000658082847 419552943 /nfs/dbraw/zinc/55/29/43/419552943.db2.gz JMSJMFGENXDSPL-RRFJBIMHSA-N 1 0 271.445 3.232 10 0 CGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCSCCCO ZINC000223278078 260287842 /nfs/dbraw/zinc/28/78/42/260287842.db2.gz UMBAYAXGZWQPGX-ILXRZTDVSA-N 1 0 273.486 3.152 10 0 CGAERO Cc1cnc([C@H](C)[NH2+]C[C@H]2CCCCC2(F)F)o1 ZINC000394516468 261303120 /nfs/dbraw/zinc/30/31/20/261303120.db2.gz RBHORGCIVMCJCB-WDEREUQCSA-N 1 0 258.312 3.459 10 0 CGAERO CC(C)C[C@@H](CN(C)C)[NH2+]C[C@H](C)c1ccccc1 ZINC000037166556 270028834 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CC(C)(C)c1csc(C[NH2+][C@@H]2CCCC[C@H]2CO)n1 ZINC000231042906 623294336 /nfs/dbraw/zinc/29/43/36/623294336.db2.gz NZGWGALQFHPCTH-NWDGAFQWSA-N 1 0 282.453 3.081 10 0 CGAERO CCC1CCC(c2noc([C@@H](C)[C@@H](C)[NH3+])n2)CC1 ZINC000087939392 623325968 /nfs/dbraw/zinc/32/59/68/623325968.db2.gz FPJUWVZKUAXYGP-DMOGRIERSA-N 1 0 251.374 3.204 10 0 CGAERO CC1(C)C[C@H]1c1noc(CC2(C[NH3+])CCCCC2)n1 ZINC000232858693 624065328 /nfs/dbraw/zinc/06/53/28/624065328.db2.gz DQTAPCWXBKJDPM-NSHDSACASA-N 1 0 263.385 3.035 10 0 CGAERO CC(C)CCOc1ccc([C@H](C)[NH2+]CC2OCCO2)cc1 ZINC000180248990 624730587 /nfs/dbraw/zinc/73/05/87/624730587.db2.gz PVQWMJNZXRFKSD-AWEZNQCLSA-N 1 0 293.407 3.135 10 0 CGAERO Fc1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)cn1 ZINC000188967090 624743371 /nfs/dbraw/zinc/74/33/71/624743371.db2.gz AFFTXKKXKOCNFC-UHFFFAOYSA-N 1 0 260.356 3.135 10 0 CGAERO COc1ccc([C@H](C)[NH2+]C[Si](C)(C)C)cc1OC ZINC000180885927 624780327 /nfs/dbraw/zinc/78/03/27/624780327.db2.gz SZVYATORCCUYQN-NSHDSACASA-N 1 0 267.445 3.232 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OWLOXGFSUDGWBL-MNOVXSKESA-N 1 0 262.378 3.126 10 0 CGAERO CC(C)(C)OC(=O)NCCC[NH2+]Cc1ccc(Cl)cc1 ZINC000105433858 635825164 /nfs/dbraw/zinc/82/51/64/635825164.db2.gz KNRCRMRFTORHKW-UHFFFAOYSA-N 1 0 298.814 3.344 10 0 CGAERO C[C@@H](NC(=O)[C@@H]1CCCC[C@@H]1[NH3+])c1ccc(Cl)cc1 ZINC000085371635 636771947 /nfs/dbraw/zinc/77/19/47/636771947.db2.gz DCFOVEKSSRUARF-HONMWMINSA-N 1 0 280.799 3.035 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1cncc2ccccc21 ZINC000135778100 637175146 /nfs/dbraw/zinc/17/51/46/637175146.db2.gz WBJDHCYHGYKPHI-QGZVFWFLSA-N 1 0 285.435 3.301 10 0 CGAERO CCO[C@H]1C[C@H]([N@H+](C)CCC(=O)CC)C12CCCC2 ZINC000190299265 640238345 /nfs/dbraw/zinc/23/83/45/640238345.db2.gz YOPVGDJVRKJLHC-GJZGRUSLSA-N 1 0 267.413 3.025 10 0 CGAERO FC(F)(F)c1cccc(Cc2noc([C@H]3CCC[NH2+]3)n2)c1 ZINC000088713760 640622708 /nfs/dbraw/zinc/62/27/08/640622708.db2.gz GQGPGOAQICMXME-LLVKDONJSA-N 1 0 297.280 3.104 10 0 CGAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]C1CCCC1 ZINC000089146955 640630786 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CC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)nc3ccccc23)C1 ZINC000092347868 640735121 /nfs/dbraw/zinc/73/51/21/640735121.db2.gz KHRHNPWRWDFJKU-OAHLLOKOSA-N 1 0 282.387 3.344 10 0 CGAERO C/C(=C/c1ccco1)C[N@@H+]1CC[C@@H](n2nc(C)cc2C)C1 ZINC000096840107 640841273 /nfs/dbraw/zinc/84/12/73/640841273.db2.gz GJIPQRPMZJOSPN-RCBBPTIPSA-N 1 0 285.391 3.443 10 0 CGAERO CC(C)c1ccc(-c2noc([C@H]3CC[C@H]([NH3+])C3)n2)cc1 ZINC000097067896 640855213 /nfs/dbraw/zinc/85/52/13/640855213.db2.gz CJQOSDXMXSPRFJ-KBPBESRZSA-N 1 0 271.364 3.455 10 0 CGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(Cl)s2)[C@H]1OC ZINC000252778292 640863620 /nfs/dbraw/zinc/86/36/20/640863620.db2.gz LEXCELVVHOOVIX-QISWUMQESA-N 1 0 289.828 3.245 10 0 CGAERO Cn1cc([C@@H]2CCC[N@@H+]2Cc2ccc3ccccc3n2)cn1 ZINC000124501581 187140167 /nfs/dbraw/zinc/14/01/67/187140167.db2.gz JIKAQQRUFMTELG-SFHVURJKSA-N 1 0 292.386 3.305 10 0 CGAERO COc1ccccc1Cc1nc(C2CC2)c(C[NH3+])s1 ZINC000082435360 178013021 /nfs/dbraw/zinc/01/30/21/178013021.db2.gz VKTLFSFCDHCISS-UHFFFAOYSA-N 1 0 274.389 3.079 10 0 CGAERO C[NH2+]Cc1sc(-c2cccnc2)nc1C(C)(C)C ZINC000082439222 178017971 /nfs/dbraw/zinc/01/79/71/178017971.db2.gz QPLWGJMJKMJSFB-UHFFFAOYSA-N 1 0 261.394 3.222 10 0 CGAERO CC[NH2+][C@H]1CC2(CCCC2)Oc2cc(OC)ccc21 ZINC000082508826 178074455 /nfs/dbraw/zinc/07/44/55/178074455.db2.gz VWGGOJYDBMIPHH-AWEZNQCLSA-N 1 0 261.365 3.441 10 0 CGAERO C[NH2+]CCCc1c[nH]c2c1cccc2Br ZINC000082623231 178138369 /nfs/dbraw/zinc/13/83/69/178138369.db2.gz BLLQZSPPDSQLEF-UHFFFAOYSA-N 1 0 267.170 3.082 10 0 CGAERO CCCCNC(=O)CN1CCCC[C@@H]1c1ccc(C)o1 ZINC000124723502 187150565 /nfs/dbraw/zinc/15/05/65/187150565.db2.gz RNXKMTXZQNFUGH-CQSZACIVSA-N 1 0 278.396 3.031 10 0 CGAERO Cc1ccc([C@H](O)[C@H]2CCC[NH2+]C2)c2ccccc12 ZINC000083166049 178347866 /nfs/dbraw/zinc/34/78/66/178347866.db2.gz YJJMUEVQPWSDGC-SUMWQHHRSA-N 1 0 255.361 3.181 10 0 CGAERO Cc1ccc2ccccc2c1[C@@H](O)C1CC[NH2+]CC1 ZINC000083165984 178348073 /nfs/dbraw/zinc/34/80/73/178348073.db2.gz ANRFCSAUOQOHMI-KRWDZBQOSA-N 1 0 255.361 3.181 10 0 CGAERO COc1ccc2[nH]cc(C[NH2+]Cc3ccccc3)c2c1 ZINC000083251143 178369179 /nfs/dbraw/zinc/36/91/79/178369179.db2.gz BONPEVMEWKDWGJ-UHFFFAOYSA-N 1 0 266.344 3.466 10 0 CGAERO [NH3+][C@@H](c1cc(Br)ccc1F)C1CCC1 ZINC000083256649 178372378 /nfs/dbraw/zinc/37/23/78/178372378.db2.gz ULRIMOKOSFXMTG-LLVKDONJSA-N 1 0 258.134 3.388 10 0 CGAERO CCSc1ccc([C@H](O)[C@@H](C)[NH2+]C(C)C)cc1 ZINC000096890909 185123519 /nfs/dbraw/zinc/12/35/19/185123519.db2.gz LGXCYRRNXLVVKQ-BXUZGUMPSA-N 1 0 253.411 3.219 10 0 CGAERO Cc1ccccc1[C@H]1[C@@H]([NH3+])CCN1Cc1ccccc1 ZINC000096947874 185137410 /nfs/dbraw/zinc/13/74/10/185137410.db2.gz NJRGDJDBKVOLRG-ROUUACIJSA-N 1 0 266.388 3.269 10 0 CGAERO Cc1nccnc1[C@@H](C)[NH2+]C[C@H]1Oc2ccccc2[C@H]1C ZINC000368291274 282221216 /nfs/dbraw/zinc/22/12/16/282221216.db2.gz RDBUACMNIXSDOE-AXAPSJFSSA-N 1 0 283.375 3.000 10 0 CGAERO CC[C@H]1C[NH2+][C@@H](C)CN1[C@@H](C)c1ccc(Cl)cc1 ZINC000083493726 178518446 /nfs/dbraw/zinc/51/84/46/178518446.db2.gz OEJOUAKEILTSLG-HUBLWGQQSA-N 1 0 266.816 3.473 10 0 CGAERO CC[C@@H]1C[NH2+][C@H](C)CN1Cc1ccc(F)c(Cl)c1 ZINC000083518110 178552337 /nfs/dbraw/zinc/55/23/37/178552337.db2.gz IZKURVFYRMUZHY-ZYHUDNBSSA-N 1 0 270.779 3.051 10 0 CGAERO c1cn(C[C@H]2CCC[N@@H+]2Cc2cc3ccccc3o2)cn1 ZINC000188418421 542247562 /nfs/dbraw/zinc/24/75/62/542247562.db2.gz SOQWAUOKTZESJT-OAHLLOKOSA-N 1 0 281.359 3.294 10 0 CGAERO Cc1csc([C@H](C)N[C@H](C[NH+](C)C)c2ccccc2)n1 ZINC000623855319 349897110 /nfs/dbraw/zinc/89/71/10/349897110.db2.gz WPJRQHGSNHEULG-DZGCQCFKSA-N 1 0 289.448 3.405 10 0 CGAERO NCC(C[NH+]1CCCCC1)(c1ccccc1)c1ccccc1 ZINC000001603019 344856262 /nfs/dbraw/zinc/85/62/62/344856262.db2.gz QRIFQKDZPAUDPE-UHFFFAOYSA-N 1 0 294.442 3.417 10 0 CGAERO Cc1ccc(C(O)(c2ccc(C)cc2)[C@@H](C)C[NH3+])cc1 ZINC000003634809 344858956 /nfs/dbraw/zinc/85/89/56/344858956.db2.gz IDJRHRZFEWCOGC-HNNXBMFYSA-N 1 0 269.388 3.134 10 0 CGAERO CC(C)Cc1ccc([C@H](C)[NH2+]Cc2cn[nH]c2)cc1 ZINC000038005859 344954277 /nfs/dbraw/zinc/95/42/77/344954277.db2.gz PAESDKABFJOIJC-ZDUSSCGKSA-N 1 0 257.381 3.459 10 0 CGAERO C[C@@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1CCCCl ZINC000039173958 344957875 /nfs/dbraw/zinc/95/78/75/344957875.db2.gz PMOPIVOOBMOQKF-GFCCVEGCSA-N 1 0 287.234 3.479 10 0 CGAERO C[NH+]1CCC(Sc2nc(Cl)nc3ccccc32)CC1 ZINC000039084942 344958126 /nfs/dbraw/zinc/95/81/26/344958126.db2.gz TWBNOSXEYLYYFF-UHFFFAOYSA-N 1 0 293.823 3.470 10 0 CGAERO O[C@](c1ccccc1)(c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000034347959 344939180 /nfs/dbraw/zinc/93/91/80/344939180.db2.gz GUCSIPANTMOANJ-GOSISDBHSA-N 1 0 285.362 3.061 10 0 CGAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3ccccc3c2)C1 ZINC000037164184 344948037 /nfs/dbraw/zinc/94/80/37/344948037.db2.gz ISEUIOXIIRMJJA-IAGOWNOFSA-N 1 0 255.361 3.233 10 0 CGAERO COc1ccc(C[C@H](C)[NH2+][C@@H](CC(C)C)CN(C)C)cc1 ZINC000037167301 344948174 /nfs/dbraw/zinc/94/81/74/344948174.db2.gz NGKZABHXXJNEPD-RDJZCZTQSA-N 1 0 292.467 3.192 10 0 CGAERO CC(C)(C)c1ccc(C[NH2+][C@H]2CCC[C@H](O)C2)cc1 ZINC000037164173 344948280 /nfs/dbraw/zinc/94/82/80/344948280.db2.gz KHNURCMULDBZCD-HOTGVXAUSA-N 1 0 261.409 3.377 10 0 CGAERO CS[C@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043096406 344994613 /nfs/dbraw/zinc/99/46/13/344994613.db2.gz MFBUFPRKNGYCAU-XCBNKYQSSA-N 1 0 260.200 3.200 10 0 CGAERO C[NH2+][C@H]1c2cccc(Br)c2S[C@H]1C ZINC000043636063 345002674 /nfs/dbraw/zinc/00/26/74/345002674.db2.gz FFQVYPTUHLOKHL-IMTBSYHQSA-N 1 0 258.184 3.204 10 0 CGAERO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000295095596 199342115 /nfs/dbraw/zinc/34/21/15/199342115.db2.gz UFXAYTIRINUMFJ-GXFFZTMASA-N 1 0 273.298 3.051 10 0 CGAERO [NH3+][C@H](Cc1cccc(Br)c1)C1CCC1 ZINC000050041353 345076973 /nfs/dbraw/zinc/07/69/73/345076973.db2.gz GADVPGRBAFHXDX-GFCCVEGCSA-N 1 0 254.171 3.119 10 0 CGAERO C[C@H]([NH3+])c1cc(Br)ccc1OC(F)F ZINC000052066272 345096602 /nfs/dbraw/zinc/09/66/02/345096602.db2.gz LWONYGSWHWZETO-YFKPBYRVSA-N 1 0 266.085 3.070 10 0 CGAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000295095597 199342798 /nfs/dbraw/zinc/34/27/98/199342798.db2.gz UFXAYTIRINUMFJ-MFKMUULPSA-N 1 0 273.298 3.051 10 0 CGAERO CC(C)C[C@@H]([NH3+])[C@H](O)c1c(Cl)cccc1Cl ZINC000054929628 345141361 /nfs/dbraw/zinc/14/13/61/345141361.db2.gz RSXZXAZKACNFPZ-PWSUYJOCSA-N 1 0 262.180 3.400 10 0 CGAERO COc1ccc(Cl)cc1[C@H]([NH3+])CC(F)(F)F ZINC000055225519 345145422 /nfs/dbraw/zinc/14/54/22/345145422.db2.gz NKYUJYKFUAGRGP-MRVPVSSYSA-N 1 0 253.651 3.301 10 0 CGAERO [NH3+][C@@H]1CC[C@@H](Cc2ccc(Br)s2)C1 ZINC000070741212 345393941 /nfs/dbraw/zinc/39/39/41/345393941.db2.gz SFBYWFWTDOSVHA-HTQZYQBOSA-N 1 0 260.200 3.181 10 0 CGAERO CC(C)c1ccc([C@@H](C)[NH2+]CC(=O)N(C)CC2CC2)cc1 ZINC000076574497 345546275 /nfs/dbraw/zinc/54/62/75/345546275.db2.gz ZQJKDQCJZHKAQM-CQSZACIVSA-N 1 0 288.435 3.329 10 0 CGAERO Cc1ccc(NC(=O)[C@@]2(C)CCC[NH2+]2)cc1C(F)(F)F ZINC000079520615 345645049 /nfs/dbraw/zinc/64/50/49/345645049.db2.gz NCLDXZOLARTAQQ-CYBMUJFWSA-N 1 0 286.297 3.094 10 0 CGAERO C[C@]1(Cc2ccc(Br)cc2)CCC[NH2+]1 ZINC000085698202 345747498 /nfs/dbraw/zinc/74/74/98/345747498.db2.gz JUQUAJQZFAFTAZ-GFCCVEGCSA-N 1 0 254.171 3.134 10 0 CGAERO CN(Cc1ccc(C(C)(C)C)cc1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091548224 345818613 /nfs/dbraw/zinc/81/86/13/345818613.db2.gz MURLDQCQTHZVCB-GOEBONIOSA-N 1 0 288.435 3.070 10 0 CGAERO CC[C@@H](C1=[NH+]CCN1)c1cccc(C(F)(F)F)c1 ZINC000114912608 345967495 /nfs/dbraw/zinc/96/74/95/345967495.db2.gz AUWVNORHVQLMKD-LLVKDONJSA-N 1 0 256.271 3.201 10 0 CGAERO C[NH2+][C@@H](c1cccc(F)c1Br)C1CC1 ZINC000129733382 346052299 /nfs/dbraw/zinc/05/22/99/346052299.db2.gz QXBOMWAAFGOMQJ-LLVKDONJSA-N 1 0 258.134 3.259 10 0 CGAERO C[C@H]1Cc2c(Br)cc(Cl)cc2C[NH2+]1 ZINC000126649920 346025753 /nfs/dbraw/zinc/02/57/53/346025753.db2.gz HVQVMCXCYMEJEX-LURJTMIESA-N 1 0 260.562 3.137 10 0 CGAERO [NH3+]C[C@H]1Cc2cc(F)cc(-c3ccccc3Cl)c2O1 ZINC000136230794 346090033 /nfs/dbraw/zinc/09/00/33/346090033.db2.gz JUKXSUVUGNRLEV-LLVKDONJSA-N 1 0 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CCACFBMXKXISEZ-CXAGYDPISA-N 1 0 255.361 3.369 10 0 CGAERO C[C@H]([NH3+])[C@@H](CC1CCC1)N1CCCc2ccccc21 ZINC000148779875 346128934 /nfs/dbraw/zinc/12/89/34/346128934.db2.gz PRWNUHHMGRHAGI-SUMWQHHRSA-N 1 0 258.409 3.345 10 0 CGAERO [NH3+][C@H]1CC[C@](F)(Cc2cc(Br)cs2)C1 ZINC000158323181 346164457 /nfs/dbraw/zinc/16/44/57/346164457.db2.gz LKJPPMKNISKQMI-WCBMZHEXSA-N 1 0 278.190 3.273 10 0 CGAERO [NH3+][C@@H]1CC[C@@](F)(Cc2sccc2Br)C1 ZINC000158311691 346164554 /nfs/dbraw/zinc/16/45/54/346164554.db2.gz KTEGNQRIMQJEIG-XCBNKYQSSA-N 1 0 278.190 3.273 10 0 CGAERO CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000163877896 346181712 /nfs/dbraw/zinc/18/17/12/346181712.db2.gz OMNRJESZDLUODE-IRXDYDNUSA-N 1 0 292.467 3.003 10 0 CGAERO [NH3+][C@@H](c1sccc1Br)[C@H]1CCSC1 ZINC000164695247 346183182 /nfs/dbraw/zinc/18/31/82/346183182.db2.gz IXCMTKMOSIKASX-POYBYMJQSA-N 1 0 278.240 3.264 10 0 CGAERO Cc1ccccc1[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000165185430 346183661 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C[C@H]([NH2+][C@@H]1CCC(C)(C)C[C@H]1C)c1nnc2n1CCCC2 ZINC000131179972 299363199 /nfs/dbraw/zinc/36/31/99/299363199.db2.gz VRPYKTKJXQXVOX-HZSPNIEDSA-N 1 0 290.455 3.480 10 0 CGAERO CCO[C@H]1C[C@H]([N@H+](C)CCc2ccccn2)C12CCCC2 ZINC000121190589 370838301 /nfs/dbraw/zinc/83/83/01/370838301.db2.gz ZWEZUCMAZLQBCR-IRXDYDNUSA-N 1 0 288.435 3.294 10 0 CGAERO O=C(C[NH2+]C1(C2CCC2)CCC1)Nc1ccccc1F ZINC000459771518 242223394 /nfs/dbraw/zinc/22/33/94/242223394.db2.gz NRWDQMHCGFCJQM-UHFFFAOYSA-N 1 0 276.355 3.077 10 0 CGAERO Cc1ccc(C[C@@H]([NH3+])c2ccc3c(c2)OCCO3)cc1 ZINC000000244025 368324844 /nfs/dbraw/zinc/32/48/44/368324844.db2.gz PECKFVZNEYUCIW-OAHLLOKOSA-N 1 0 269.344 3.009 10 0 CGAERO COc1cccc(NC(=[NH2+])Nc2cccc(OC)c2)c1 ZINC000013733765 368664791 /nfs/dbraw/zinc/66/47/91/368664791.db2.gz HNJBHSJXCZZKKY-UHFFFAOYSA-N 1 0 271.320 3.163 10 0 CGAERO Oc1ccc2c(c1)O[C@H](C[NH2+]CCCc1ccccc1)CC2 ZINC000012356076 368609332 /nfs/dbraw/zinc/60/93/32/368609332.db2.gz UFPFTPPWVXLEQS-SFHVURJKSA-N 1 0 297.398 3.308 10 0 CGAERO O[C@]1(c2ccc(-c3cccs3)cc2)C[NH+]2CCC1CC2 ZINC000013757110 368666567 /nfs/dbraw/zinc/66/65/67/368666567.db2.gz HEGWQOPYJYZZQG-KRWDZBQOSA-N 1 0 285.412 3.328 10 0 CGAERO C[NH+](C)[C@@H]1CCc2ccc(O)cc2[C@@H]1c1ccccc1 ZINC000013675909 368660862 /nfs/dbraw/zinc/66/08/62/368660862.db2.gz ZCPHLXGFUQWIJX-MSOLQXFVSA-N 1 0 267.372 3.401 10 0 CGAERO C[NH+](C)[C@H]1CCc2ccc(O)cc2[C@H]1c1ccccc1 ZINC000013675914 368661259 /nfs/dbraw/zinc/66/12/59/368661259.db2.gz ZCPHLXGFUQWIJX-ZWKOTPCHSA-N 1 0 267.372 3.401 10 0 CGAERO C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000016335113 368711038 /nfs/dbraw/zinc/71/10/38/368711038.db2.gz USIYZKRCAKPKJO-FZKCQIBNSA-N 1 0 288.435 3.230 10 0 CGAERO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)C(C)C ZINC000016518479 368715039 /nfs/dbraw/zinc/71/50/39/368715039.db2.gz BHYKISRSWSGOCS-WDEREUQCSA-N 1 0 298.814 3.310 10 0 CGAERO C[NH2+]C1(C)CN(C2c3ccccc3CCc3ccccc32)C1 ZINC000019368467 368750680 /nfs/dbraw/zinc/75/06/80/368750680.db2.gz SOYKNULYTHULKB-UHFFFAOYSA-N 1 0 292.426 3.168 10 0 CGAERO CCCCCOc1ccc(C[NH2+][C@@H](C)COC)cc1 ZINC000020087446 368799341 /nfs/dbraw/zinc/79/93/41/368799341.db2.gz BWPFNDLYQRKNGS-AWEZNQCLSA-N 1 0 265.397 3.380 10 0 CGAERO Nc1c2ccc(Br)cc2[nH+]c2c1CCCC2 ZINC000026148743 368855698 /nfs/dbraw/zinc/85/56/98/368855698.db2.gz LMHYFQXFWSKTJP-UHFFFAOYSA-N 1 0 277.165 3.458 10 0 CGAERO Cc1ccc([C@H]2C[N@@H+](C)Cc3c(N)cccc32)cc1 ZINC000028218198 368881998 /nfs/dbraw/zinc/88/19/98/368881998.db2.gz JKMWBERMCFHEPB-OAHLLOKOSA-N 1 0 252.361 3.155 10 0 CGAERO O=C1CCCC[C@H]1[NH+]1CCC(c2ccccc2)CC1 ZINC000028232417 368883903 /nfs/dbraw/zinc/88/39/03/368883903.db2.gz SQDKWKLTYJHORV-MRXNPFEDSA-N 1 0 257.377 3.378 10 0 CGAERO COc1cc2c(cc1OCc1ccccc1)CC[NH2+][C@H]2C ZINC000032267292 368928802 /nfs/dbraw/zinc/92/88/02/368928802.db2.gz LJTYEKZPTDVMCM-ZDUSSCGKSA-N 1 0 283.371 3.481 10 0 CGAERO COc1cc(Br)c([C@@H]([NH3+])C(C)C)cc1OC ZINC000034940139 368981327 /nfs/dbraw/zinc/98/13/27/368981327.db2.gz MGJIZRVCSGZFHB-LBPRGKRZSA-N 1 0 288.185 3.122 10 0 CGAERO CC[C@H](C)[N@@H+](Cc1cccs1)C[C@H](O)COCC(C)C ZINC000036103412 369008882 /nfs/dbraw/zinc/00/88/82/369008882.db2.gz WJDUSIHZZIUTQI-GJZGRUSLSA-N 1 0 299.480 3.382 10 0 CGAERO CCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000036959524 369043261 /nfs/dbraw/zinc/04/32/61/369043261.db2.gz MYCVAIUDIMXCFV-UWVGGRQHSA-N 1 0 286.778 3.044 10 0 CGAERO O[C@H]1CCC[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC000037164381 369074634 /nfs/dbraw/zinc/07/46/34/369074634.db2.gz LLHHYADOEGHYGJ-STQMWFEESA-N 1 0 273.298 3.099 10 0 CGAERO Cc1cc([C@@H](C)NC(=O)C2CCC([NH3+])CC2)c(C)s1 ZINC000037626723 369092650 /nfs/dbraw/zinc/09/26/50/369092650.db2.gz HOGODCWZUYTZHR-QFWMXSHPSA-N 1 0 280.437 3.060 10 0 CGAERO CCN1CCC[C@H]([NH2+]Cc2ccc(Br)cc2)C1 ZINC000040501989 369156620 /nfs/dbraw/zinc/15/66/20/369156620.db2.gz SBYORNFARIWLIN-AWEZNQCLSA-N 1 0 297.240 3.023 10 0 CGAERO CC(C)(C)[NH2+]CC(=O)c1cccc(Br)c1 ZINC000041619290 369193784 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ZINC000102683533 370307709 /nfs/dbraw/zinc/30/77/09/370307709.db2.gz WLANBOZIIPEDCX-HNNXBMFYSA-N 1 0 294.398 3.235 10 0 CGAERO C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCCC2(C)C)C1 ZINC000102958893 370315518 /nfs/dbraw/zinc/31/55/18/370315518.db2.gz VGENAYIJBJWOOB-OAHLLOKOSA-N 1 0 295.471 3.083 10 0 CGAERO C[C@@H]([NH2+][C@@H]1CCCOC1)c1ccc(F)cc1Cl ZINC000103959422 370334226 /nfs/dbraw/zinc/33/42/26/370334226.db2.gz ZVOJANCTOFIWCX-MWLCHTKSSA-N 1 0 257.736 3.309 10 0 CGAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCC(C)(C)C)C2)n1 ZINC000112697914 370442542 /nfs/dbraw/zinc/44/25/42/370442542.db2.gz MVMBMMJBWUTGOP-OAHLLOKOSA-N 1 0 278.444 3.043 10 0 CGAERO C[C@@H]([NH3+])[C@@H](O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000114039616 370488772 /nfs/dbraw/zinc/48/87/72/370488772.db2.gz DXIHDYCFZWJHIQ-MLUIRONXSA-N 1 0 287.203 3.105 10 0 CGAERO CCn1nc(C)c([C@@H](C)[NH2+]CC2CCSCC2)c1C ZINC000131185943 371088533 /nfs/dbraw/zinc/08/85/33/371088533.db2.gz RQZNVWDKHYLZAO-LLVKDONJSA-N 1 0 281.469 3.314 10 0 CGAERO Cc1ccc(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)s1 ZINC000131851625 371134469 /nfs/dbraw/zinc/13/44/69/371134469.db2.gz GHEBDQSGSCIGMB-CQSZACIVSA-N 1 0 261.394 3.127 10 0 CGAERO Cc1ccc([C@H]2CCCC[N@@H+]2CCn2ccnc2)o1 ZINC000131459582 371109089 /nfs/dbraw/zinc/10/90/89/371109089.db2.gz SWQHIQHFIWJPJC-CQSZACIVSA-N 1 0 259.353 3.012 10 0 CGAERO CC[C@@H]([NH2+][C@@H]1CCCN(CC)C1)c1cc(F)ccc1F ZINC000133013065 371218943 /nfs/dbraw/zinc/21/89/43/371218943.db2.gz SAZRZDIIBIMMLK-CZUORRHYSA-N 1 0 282.378 3.490 10 0 CGAERO CSc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2O)cc1 ZINC000135666588 371442783 /nfs/dbraw/zinc/44/27/83/371442783.db2.gz IYWUFJTVPATXGV-GJZGRUSLSA-N 1 0 265.422 3.192 10 0 CGAERO CCCc1nc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CC)cs1 ZINC000136076445 371459698 /nfs/dbraw/zinc/45/96/98/371459698.db2.gz HEGGCHPVQNFMBH-GJZGRUSLSA-N 1 0 293.480 3.154 10 0 CGAERO Fc1ccccc1CC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000137584256 371499082 /nfs/dbraw/zinc/49/90/82/371499082.db2.gz AEIRIVKGUSWWRP-HNNXBMFYSA-N 1 0 299.393 3.197 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C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000249188558 165790664 /nfs/dbraw/zinc/79/06/64/165790664.db2.gz MHHIXGKIJGFOLP-WNOSKKOXSA-N 1 0 277.383 3.304 10 0 CGAERO CC[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)c1ccc2c(c1)CCO2 ZINC000251668855 165799306 /nfs/dbraw/zinc/79/93/06/165799306.db2.gz IKGJBCQTSHDPOH-HPFXQQBRSA-N 1 0 287.403 3.230 10 0 CGAERO O=C(C[C@@H]1CCC[NH2+]1)Nc1c(Cl)cccc1Cl ZINC000001855815 169760315 /nfs/dbraw/zinc/76/03/15/169760315.db2.gz PWTKJEDLCFLEMM-QMMMGPOBSA-N 1 0 273.163 3.074 10 0 CGAERO CC(C)(C)[NH2+]C[C@@](C)(O)c1ccc(Br)cc1 ZINC000004949315 170044429 /nfs/dbraw/zinc/04/44/29/170044429.db2.gz NBATVHDWJPIANZ-CYBMUJFWSA-N 1 0 286.213 3.045 10 0 CGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccccc1Cl ZINC000246869257 287229385 /nfs/dbraw/zinc/22/93/85/287229385.db2.gz DWIURWVIIOXOFS-OLZOCXBDSA-N 1 0 292.810 3.039 10 0 CGAERO [NH3+]Cc1cccc(Oc2cc(-c3ccccc3)ncn2)c1 ZINC000011849467 170447187 /nfs/dbraw/zinc/44/71/87/170447187.db2.gz PGJRCJKEINVALF-UHFFFAOYSA-N 1 0 277.327 3.395 10 0 CGAERO CCCOc1ccccc1O[C@@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000019269214 170766010 /nfs/dbraw/zinc/76/60/10/170766010.db2.gz JXJCYZQNXRYNRJ-MSOLQXFVSA-N 1 0 283.371 3.479 10 0 CGAERO CCC[C@H]([NH3+])[C@H](CC)Oc1ccccc1OCC ZINC000019397222 170782982 /nfs/dbraw/zinc/78/29/82/170782982.db2.gz ZLNDXKYWPUUZLH-STQMWFEESA-N 1 0 251.370 3.370 10 0 CGAERO NC(=[NH2+])c1ccc(COc2ccccc2Cl)cc1 ZINC000019433842 170799185 /nfs/dbraw/zinc/79/91/85/170799185.db2.gz VZSWMQPTWGACNS-UHFFFAOYSA-N 1 0 260.724 3.203 10 0 CGAERO CSc1ccc(NC(=O)C[C@H]([NH3+])c2ccccc2)cc1 ZINC000019437803 170800444 /nfs/dbraw/zinc/80/04/44/170800444.db2.gz VTSDXPMOXLZNMO-HNNXBMFYSA-N 1 0 286.400 3.437 10 0 CGAERO CCc1cccc(OCc2ccccc2C(N)=[NH2+])c1 ZINC000019484078 170811431 /nfs/dbraw/zinc/81/14/31/170811431.db2.gz IZPWJOKMHKTYNV-UHFFFAOYSA-N 1 0 254.333 3.112 10 0 CGAERO COc1ccc(C[C@H]([NH3+])c2c(F)cc(F)cc2F)cc1 ZINC000019971664 170955117 /nfs/dbraw/zinc/95/51/17/170955117.db2.gz YVZMXUOUXGFAHF-AWEZNQCLSA-N 1 0 281.277 3.355 10 0 CGAERO CC(C)[C@@H](CNCc1ccc([C@@H]2C[C@@H]2C)o1)[NH+](C)C ZINC000020145561 171030721 /nfs/dbraw/zinc/03/07/21/171030721.db2.gz MBUVMFHIUBQTRX-NWANDNLSSA-N 1 0 264.413 3.079 10 0 CGAERO CC[C@@H]([NH2+]C[C@H](C(C)C)N(C)C)c1cccs1 ZINC000020145959 171031855 /nfs/dbraw/zinc/03/18/55/171031855.db2.gz SBVWCVUHNYLOIR-CHWSQXEVSA-N 1 0 254.443 3.375 10 0 CGAERO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1cc(F)ccc1F ZINC000020207428 171072293 /nfs/dbraw/zinc/07/22/93/171072293.db2.gz LSHVIUPRZBIIEB-BFVZDQMLSA-N 1 0 255.308 3.183 10 0 CGAERO CN(Cc1cccc(F)c1)[C@@H](C[NH3+])c1cccs1 ZINC000020225316 171087505 /nfs/dbraw/zinc/08/75/05/171087505.db2.gz SJKMYIBTKWJJNY-ZDUSSCGKSA-N 1 0 264.369 3.019 10 0 CGAERO C[N@H+](CC1CCCCC1)[C@@H](CN)c1ccc(F)cc1 ZINC000020225684 171087951 /nfs/dbraw/zinc/08/79/51/171087951.db2.gz PGVOVQCOYPHGQB-INIZCTEOSA-N 1 0 264.388 3.338 10 0 CGAERO COc1ccccc1CN(C)[C@@H](C[NH3+])c1ccccc1C ZINC000020225448 171087991 /nfs/dbraw/zinc/08/79/91/171087991.db2.gz YTAPGTXTHNFKQD-KRWDZBQOSA-N 1 0 284.403 3.135 10 0 CGAERO CC(C)C[N@H+](C)[C@@H](CN)c1cccc(OC(C)C)c1 ZINC000020226648 171090851 /nfs/dbraw/zinc/09/08/51/171090851.db2.gz ATTDQMFZLZSYBA-INIZCTEOSA-N 1 0 264.413 3.061 10 0 CGAERO CN(CC(C)(C)C)[C@H](C[NH3+])c1c(F)cccc1Cl ZINC000020226291 171091848 /nfs/dbraw/zinc/09/18/48/171091848.db2.gz QHSCLUOLBQYIGJ-GFCCVEGCSA-N 1 0 272.795 3.457 10 0 CGAERO CCC[C@@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000020366124 171164531 /nfs/dbraw/zinc/16/45/31/171164531.db2.gz VCEUCPHCRDUFOI-NIFZNCRKSA-N 1 0 268.445 3.094 10 0 CGAERO COc1ccc([C@@H]([NH3+])c2ccc(Cl)s2)cc1OC ZINC000020375129 171170728 /nfs/dbraw/zinc/17/07/28/171170728.db2.gz RCNFMUIKLIAZKS-CYBMUJFWSA-N 1 0 283.780 3.467 10 0 CGAERO [NH3+][C@@H](Cc1ccccn1)c1cc2c(s1)CCCC2 ZINC000020428881 171194297 /nfs/dbraw/zinc/19/42/97/171194297.db2.gz SQYOFCKHIJNQQJ-ZDUSSCGKSA-N 1 0 258.390 3.264 10 0 CGAERO COc1ccc([C@H]([NH3+])c2ccc(OC)c(Cl)c2)cc1 ZINC000020521885 171235006 /nfs/dbraw/zinc/23/50/06/171235006.db2.gz UAGXHZSYRLTQSM-HNNXBMFYSA-N 1 0 277.751 3.405 10 0 CGAERO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000020549933 171246808 /nfs/dbraw/zinc/24/68/08/171246808.db2.gz DPDUBKNTTXKYDU-VXGBXAGGSA-N 1 0 261.365 3.330 10 0 CGAERO Nc1c[nH+]ccc1Nc1ccc(Br)cc1 ZINC000020585546 171258945 /nfs/dbraw/zinc/25/89/45/171258945.db2.gz AMCNNRMMGQTCRD-UHFFFAOYSA-N 1 0 264.126 3.170 10 0 CGAERO C[C@@H]1CCCC[C@@H]1[NH2+]CC1(N(C)C)CCCCC1 ZINC000021014998 171289343 /nfs/dbraw/zinc/28/93/43/171289343.db2.gz GNPZYHIXUFTPMO-CABCVRRESA-N 1 0 252.446 3.419 10 0 CGAERO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000021720540 171320820 /nfs/dbraw/zinc/32/08/20/171320820.db2.gz HLAWRMVMMYCSAY-AWEZNQCLSA-N 1 0 257.337 3.024 10 0 CGAERO CC(C)Oc1ccc([C@H](N)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000021788284 171323026 /nfs/dbraw/zinc/32/30/26/171323026.db2.gz IENJYVMKIFUDES-IIDMSEBBSA-N 1 0 290.451 3.452 10 0 CGAERO Cc1ccc(C)c([C@H](N)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000021810452 171328903 /nfs/dbraw/zinc/32/89/03/171328903.db2.gz KXGKNDGNQTVAQJ-CKEIUWERSA-N 1 0 260.425 3.281 10 0 CGAERO CC(C)(C)[C@@H]1CC[C@@H](N)[C@@H]([NH+]2CCCCCC2)C1 ZINC000021815020 171331737 /nfs/dbraw/zinc/33/17/37/171331737.db2.gz ZBKMOSMBJBLXMO-KFWWJZLASA-N 1 0 252.446 3.405 10 0 CGAERO O[C@H](c1ccccn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000021982474 171344822 /nfs/dbraw/zinc/34/48/22/171344822.db2.gz RRWYHCXSAMGVMY-SFHVURJKSA-N 1 0 282.387 3.027 10 0 CGAERO [NH3+]Cc1cccc(Oc2ccc3ccccc3n2)c1 ZINC000022145643 171356494 /nfs/dbraw/zinc/35/64/94/171356494.db2.gz FODQVYMEHMQODP-UHFFFAOYSA-N 1 0 250.301 3.486 10 0 CGAERO CCC[NH+](CCC)CCC(=O)Nc1ccc(Cl)cc1N ZINC000022156259 171362265 /nfs/dbraw/zinc/36/22/65/171362265.db2.gz AOHBQPZHWKWBPI-UHFFFAOYSA-N 1 0 297.830 3.373 10 0 CGAERO CCC[NH+](CCC)CCC(=O)Nc1cccc(N)c1C ZINC000022156500 171362985 /nfs/dbraw/zinc/36/29/85/171362985.db2.gz HNBIIUCEADQKSJ-UHFFFAOYSA-N 1 0 277.412 3.028 10 0 CGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)Nc1ccc(Cl)cc1N ZINC000022166742 171366332 /nfs/dbraw/zinc/36/63/32/171366332.db2.gz ILQWHKAKAAUHIY-PHIMTYICSA-N 1 0 295.814 3.124 10 0 CGAERO CC1CCN([C@H](C[NH3+])c2ccc(OC(F)F)cc2)CC1 ZINC000022170284 171367804 /nfs/dbraw/zinc/36/78/04/171367804.db2.gz KBFAZFSPZVNNMV-CQSZACIVSA-N 1 0 284.350 3.020 10 0 CGAERO Brc1ccc(COC[C@H]2CCCC[NH2+]2)cc1 ZINC000028521926 171561478 /nfs/dbraw/zinc/56/14/78/171561478.db2.gz GXICOJNBJUXTTQ-CYBMUJFWSA-N 1 0 284.197 3.108 10 0 CGAERO CCNC(=O)C[NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000035138885 172006437 /nfs/dbraw/zinc/00/64/37/172006437.db2.gz ASJAAXHQHUILGN-AWEZNQCLSA-N 1 0 282.387 3.140 10 0 CGAERO O=C(C[NH2+][C@H]1CCc2ccccc21)Nc1cccc(F)c1 ZINC000035180557 172034420 /nfs/dbraw/zinc/03/44/20/172034420.db2.gz AQBANSZBUBYGHE-INIZCTEOSA-N 1 0 284.334 3.041 10 0 CGAERO CCN(CC)C(=O)[C@@H](C)[NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000035224414 172068457 /nfs/dbraw/zinc/06/84/57/172068457.db2.gz IWXZTAAYVFHPRB-QXSJWSMHSA-N 1 0 280.456 3.192 10 0 CGAERO CSCCC[NH2+][C@@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000035273297 172093391 /nfs/dbraw/zinc/09/33/91/172093391.db2.gz SZAJPOKEVMIFCJ-MNOVXSKESA-N 1 0 285.375 3.219 10 0 CGAERO CC[C@H]1CSC(NCc2ccc(Cl)cc2)=[NH+]1 ZINC000035287056 172104984 /nfs/dbraw/zinc/10/49/84/172104984.db2.gz IOQQFTFDISLFLP-NSHDSACASA-N 1 0 254.786 3.311 10 0 CGAERO C[NH2+][C@H](c1ccco1)c1ccc(OC)c(Br)c1 ZINC000035455002 172206871 /nfs/dbraw/zinc/20/68/71/172206871.db2.gz JPVNCYZEDHXLQY-ZDUSSCGKSA-N 1 0 296.164 3.360 10 0 CGAERO C[NH2+][C@H](c1cc(OC)c(OC)cc1Cl)[C@@H]1C[C@@H]1C ZINC000035501295 172235435 /nfs/dbraw/zinc/23/54/35/172235435.db2.gz RTDJGLMOADYTRG-QIBSRJKCSA-N 1 0 269.772 3.274 10 0 CGAERO C[NH2+][C@H](c1cc2c(cc1Cl)NC(=O)C2)C(C)(C)C ZINC000035507142 172240155 /nfs/dbraw/zinc/24/01/55/172240155.db2.gz ORKKLTASIADFQH-CYBMUJFWSA-N 1 0 266.772 3.141 10 0 CGAERO CC[NH2+][C@@H](c1cccs1)[C@H]1COc2ccccc2O1 ZINC000035545488 172253883 /nfs/dbraw/zinc/25/38/83/172253883.db2.gz PABBKMUSNBYXAH-UKRRQHHQSA-N 1 0 275.373 3.239 10 0 CGAERO CCC[NH2+][C@@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC000035582421 172280310 /nfs/dbraw/zinc/28/03/10/172280310.db2.gz SWBILOGTEIUVFP-OAHLLOKOSA-N 1 0 262.303 3.449 10 0 CGAERO COCCOc1ccc2ccccc2c1C[NH2+]C(C)C ZINC000035630695 172312393 /nfs/dbraw/zinc/31/23/93/172312393.db2.gz DCUUHPPAWNSQCC-UHFFFAOYSA-N 1 0 273.376 3.363 10 0 CGAERO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccncc2)cc1 ZINC000035647977 172324908 /nfs/dbraw/zinc/32/49/08/172324908.db2.gz PWIWENHMKZNANP-KGLIPLIRSA-N 1 0 270.376 3.372 10 0 CGAERO Cc1ccc(CN(C)[C@@](C)(C[NH3+])CCC(C)C)o1 ZINC000035699554 172368321 /nfs/dbraw/zinc/36/83/21/172368321.db2.gz LITVKAXEEDCARU-OAHLLOKOSA-N 1 0 252.402 3.173 10 0 CGAERO Cc1ccsc1[C@H](C[NH3+])N(C)Cc1cccs1 ZINC000035717001 172371468 /nfs/dbraw/zinc/37/14/68/172371468.db2.gz RWUMVLVXNMUQQH-LBPRGKRZSA-N 1 0 266.435 3.250 10 0 CGAERO CN(Cc1ccsc1)C1(C[NH3+])CCCCCC1 ZINC000035719062 172373306 /nfs/dbraw/zinc/37/33/06/172373306.db2.gz ZZHLGZNOUFQJIB-UHFFFAOYSA-N 1 0 252.427 3.232 10 0 CGAERO CN(Cc1ccsc1)c1cccc(Cl)c1C[NH3+] ZINC000035719627 172374384 /nfs/dbraw/zinc/37/43/84/172374384.db2.gz YYTVWUHWNLJOAY-UHFFFAOYSA-N 1 0 266.797 3.497 10 0 CGAERO Cc1ccc(Oc2ncccc2C[NH3+])c(Br)c1 ZINC000035719852 172374435 /nfs/dbraw/zinc/37/44/35/172374435.db2.gz YNURWAMBRIZOJV-UHFFFAOYSA-N 1 0 293.164 3.404 10 0 CGAERO CC(C)(C)SCCCOc1ccc(C[NH3+])cc1 ZINC000035722377 172378287 /nfs/dbraw/zinc/37/82/87/172378287.db2.gz KHZRNBHQAXFPHC-UHFFFAOYSA-N 1 0 253.411 3.446 10 0 CGAERO Cc1ccccc1C[N@@H+](C[C@H](O)COCC(C)C)C(C)C ZINC000036104484 172441562 /nfs/dbraw/zinc/44/15/62/172441562.db2.gz AWYVQXCWMPJGQN-SFHVURJKSA-N 1 0 293.451 3.239 10 0 CGAERO COc1c(C)cnc(CC[C@H]([NH3+])C(C)(C)C)c1C ZINC000036683883 172654839 /nfs/dbraw/zinc/65/48/39/172654839.db2.gz MOWMOWSACLEAEW-ZDUSSCGKSA-N 1 0 250.386 3.013 10 0 CGAERO CC[NH2+][C@@H](C)c1nnn(-c2cccc(Cl)c2F)c1C ZINC000036917102 172802995 /nfs/dbraw/zinc/80/29/95/172802995.db2.gz HNRQYSJLGYRRBA-QMMMGPOBSA-N 1 0 282.750 3.039 10 0 CGAERO CCCCCOC[C@@H]([NH3+])c1ccc(OCC)cc1 ZINC000037114133 172965523 /nfs/dbraw/zinc/96/55/23/172965523.db2.gz VVAMOPCTTNKVRD-OAHLLOKOSA-N 1 0 251.370 3.292 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000037167292 173001465 /nfs/dbraw/zinc/00/14/65/173001465.db2.gz CLFVZRHTXUUYII-XJKSGUPXSA-N 1 0 266.404 3.453 10 0 CGAERO [NH3+]CC[C@H](O[C@@H]1CCCc2ccccc21)C(F)(F)F ZINC000037179356 173012805 /nfs/dbraw/zinc/01/28/05/173012805.db2.gz KAQSGULVZNMJEI-OLZOCXBDSA-N 1 0 273.298 3.360 10 0 CGAERO Cc1csc2nc(C)c(C[NH2+]Cc3ccc(F)cc3)n12 ZINC000037211069 173032402 /nfs/dbraw/zinc/03/24/02/173032402.db2.gz AQLIWWRLQFACKY-UHFFFAOYSA-N 1 0 289.379 3.442 10 0 CGAERO CCc1ccc([C@@H]([NH3+])[C@@H](C)n2nc(C)cc2C)cc1 ZINC000037223919 173044593 /nfs/dbraw/zinc/04/45/93/173044593.db2.gz HTABMIMPXBTYEH-CJNGLKHVSA-N 1 0 257.381 3.323 10 0 CGAERO CCOc1ccc(Br)cc1[C@@H]([NH3+])CC ZINC000037225741 173045266 /nfs/dbraw/zinc/04/52/66/173045266.db2.gz JSYNSESODMAJIR-JTQLQIEISA-N 1 0 258.159 3.258 10 0 CGAERO CC(C)=CC[NH+]1CCC(Nc2cccc(O)c2)CC1 ZINC000037238083 173055437 /nfs/dbraw/zinc/05/54/37/173055437.db2.gz JSUFNNBIUGSYGR-UHFFFAOYSA-N 1 0 260.381 3.235 10 0 CGAERO CCC[NH2+][C@@H]1CCN(c2cccc3ccccc32)C1 ZINC000037240346 173056626 /nfs/dbraw/zinc/05/66/26/173056626.db2.gz JPUWDMUULUOCMT-OAHLLOKOSA-N 1 0 254.377 3.418 10 0 CGAERO CCC(CC)C(=O)N(CCC[NH3+])c1cccc(C)c1 ZINC000037297400 173101230 /nfs/dbraw/zinc/10/12/30/173101230.db2.gz ODFUNNJIUGBLHK-UHFFFAOYSA-N 1 0 262.397 3.113 10 0 CGAERO O=C(C[NH2+]C1CCCCCC1)Nc1ccccc1F ZINC000037387741 173171795 /nfs/dbraw/zinc/17/17/95/173171795.db2.gz XLXKDCCFKTUVRC-UHFFFAOYSA-N 1 0 264.344 3.077 10 0 CGAERO C[C@H]([NH3+])Cc1nc2cc(C(F)(F)F)ccc2s1 ZINC000037448818 173215961 /nfs/dbraw/zinc/21/59/61/173215961.db2.gz KQQVZSSJPLPXPP-LURJTMIESA-N 1 0 260.284 3.205 10 0 CGAERO COc1ccccc1[C@](C)([NH3+])Cc1ccc(F)cc1 ZINC000037531530 173253223 /nfs/dbraw/zinc/25/32/23/173253223.db2.gz SUFQMYNUPXQGGP-MRXNPFEDSA-N 1 0 259.324 3.251 10 0 CGAERO CCCCOCCO[C@H]1C[C@H](CCC)CC[C@@H]1[NH3+] ZINC000037743597 173665352 /nfs/dbraw/zinc/66/53/52/173665352.db2.gz UQRIIQSMXDSHNR-ILXRZTDVSA-N 1 0 257.418 3.116 10 0 CGAERO CC(C)CCC[NH2+]C[C@H](O)COCc1ccc(Cl)cc1 ZINC000037984716 173945717 /nfs/dbraw/zinc/94/57/17/173945717.db2.gz MFCVEXCPFYRUNS-INIZCTEOSA-N 1 0 299.842 3.243 10 0 CGAERO CC[NH2+][C@@H](C)CCc1ccc(Br)s1 ZINC000038001067 173964085 /nfs/dbraw/zinc/96/40/85/173964085.db2.gz WCBGJPMUSRQRQW-QMMMGPOBSA-N 1 0 262.216 3.441 10 0 CGAERO CC[NH2+]CCCNc1ncc(C(F)(F)F)cc1Cl ZINC000038043483 174050885 /nfs/dbraw/zinc/05/08/85/174050885.db2.gz SZRHWBAGQPLLGM-UHFFFAOYSA-N 1 0 281.709 3.165 10 0 CGAERO CC(C)[C@H]([NH2+]C[C@H]1CCCOC1)c1cccs1 ZINC000038044922 174052703 /nfs/dbraw/zinc/05/27/03/174052703.db2.gz COJKCIFNILBRSO-OCCSQVGLSA-N 1 0 253.411 3.461 10 0 CGAERO Clc1cnn(-c2cccc(Cl)c2C[NH2+]C2CC2)c1 ZINC000038053842 174065235 /nfs/dbraw/zinc/06/52/35/174065235.db2.gz UNXAYXPVOTZKDE-UHFFFAOYSA-N 1 0 282.174 3.431 10 0 CGAERO CCC[NH2+]Cc1ccc(-n2cc(Br)cn2)cc1 ZINC000038054632 174065652 /nfs/dbraw/zinc/06/56/52/174065652.db2.gz VRGOWBWXRARFNS-UHFFFAOYSA-N 1 0 294.196 3.134 10 0 CGAERO Cc1ccccc1[C@H]([NH3+])c1ccc2c(c1)CCCO2 ZINC000038057712 174068219 /nfs/dbraw/zinc/06/82/19/174068219.db2.gz CNAQHBYTLBOVSW-QGZVFWFLSA-N 1 0 253.345 3.368 10 0 CGAERO Cc1ccsc1[C@@H]([NH3+])c1ccc2c(c1)CCCO2 ZINC000038057653 174068251 /nfs/dbraw/zinc/06/82/51/174068251.db2.gz YGIVAVYEWHCMOX-AWEZNQCLSA-N 1 0 259.374 3.430 10 0 CGAERO CC[C@H](C)[NH2+][C@](C)(C(N)=O)c1ccc(Cl)cc1Cl ZINC000038065493 174076274 /nfs/dbraw/zinc/07/62/74/174076274.db2.gz WVPLQPHMQUQSEA-SDBXPKJASA-N 1 0 289.206 3.082 10 0 CGAERO Cc1cc(C)cc(C[N@@H+]2Cc3ccc(N)cc3C2)c1 ZINC000038076933 174087689 /nfs/dbraw/zinc/08/76/89/174087689.db2.gz ITJZGROLKCSRFL-UHFFFAOYSA-N 1 0 252.361 3.401 10 0 CGAERO CC[NH2+][C@H](Cc1cc(C)cc(C)c1)C[C@@H]1CCCO1 ZINC000038077425 174087738 /nfs/dbraw/zinc/08/77/38/174087738.db2.gz NSMBNFKUMVNTRO-SJORKVTESA-N 1 0 261.409 3.393 10 0 CGAERO [NH3+][C@@H](Cc1ccccc1F)c1cc(F)cc(F)c1 ZINC000038129939 174131949 /nfs/dbraw/zinc/13/19/49/174131949.db2.gz GEDYVOSZRGKGAO-AWEZNQCLSA-N 1 0 251.251 3.346 10 0 CGAERO Cc1ccc([C@@H]([NH3+])CN(C)Cc2ccccc2)cc1 ZINC000038137745 174133432 /nfs/dbraw/zinc/13/34/32/174133432.db2.gz TVBICFGSJSWLBL-KRWDZBQOSA-N 1 0 254.377 3.127 10 0 CGAERO c1cc2c(c(OCCC[NH+]3CCCCC3)c1)CCCN2 ZINC000038604528 174149326 /nfs/dbraw/zinc/14/93/26/174149326.db2.gz NNYWUROLSZBCQU-UHFFFAOYSA-N 1 0 274.408 3.300 10 0 CGAERO CCC[NH+](CCC)[C@@H](CN)c1ccc(OCC)cc1 ZINC000038827619 174157524 /nfs/dbraw/zinc/15/75/24/174157524.db2.gz RVZRKTMVGCVOCW-INIZCTEOSA-N 1 0 264.413 3.207 10 0 CGAERO CCCOc1ccc2ccccc2c1C[NH2+]C[C@@H](C)O ZINC000040743867 174391297 /nfs/dbraw/zinc/39/12/97/174391297.db2.gz MUHFJILFNDJXKB-CYBMUJFWSA-N 1 0 273.376 3.099 10 0 CGAERO COc1ccc2cc(-c3nc(C[NH3+])cs3)ccc2c1 ZINC000040999769 174448180 /nfs/dbraw/zinc/44/81/80/174448180.db2.gz LXEMQJQMACBEFS-UHFFFAOYSA-N 1 0 270.357 3.431 10 0 CGAERO Cc1ccc([C@@H](O)CC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000041144720 174495255 /nfs/dbraw/zinc/49/52/55/174495255.db2.gz YMMKWGSQGWWOAD-UXLLHSPISA-N 1 0 261.409 3.396 10 0 CGAERO COc1cccc(S[C@H](C[NH3+])c2ccccc2)c1 ZINC000042900280 174905403 /nfs/dbraw/zinc/90/54/03/174905403.db2.gz VGHWCVZYRUOKJK-OAHLLOKOSA-N 1 0 259.374 3.487 10 0 CGAERO C[C@@H]([NH3+])[C@H](OCCc1cccs1)c1ccccc1 ZINC000042904360 174907092 /nfs/dbraw/zinc/90/70/92/174907092.db2.gz FLJZYFOMRFLKCI-DOMZBBRYSA-N 1 0 261.390 3.396 10 0 CGAERO CCOC(=O)CS[C@H](c1cccc(C)c1)[C@H]([NH3+])CC ZINC000042970299 174933326 /nfs/dbraw/zinc/93/33/26/174933326.db2.gz ISYSBGJOHDJMQB-UKRRQHHQSA-N 1 0 281.421 3.070 10 0 CGAERO CC[C@H]([NH3+])[C@H](Sc1nccn1C)c1cccc(F)c1 ZINC000042974343 174937556 /nfs/dbraw/zinc/93/75/56/174937556.db2.gz ZSCODJCHZQIDMN-QWHCGFSZSA-N 1 0 279.384 3.130 10 0 CGAERO CN[C@@H](c1ccccc1)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000043813992 175111911 /nfs/dbraw/zinc/11/19/11/175111911.db2.gz GMYJUBDEMQZTIL-DLBZAZTESA-N 1 0 260.425 3.458 10 0 CGAERO CCC[NH+](CCC)C[C@H](O)c1ccccc1OCC ZINC000044120280 175142579 /nfs/dbraw/zinc/14/25/79/175142579.db2.gz WUYFYZALBYWOHA-HNNXBMFYSA-N 1 0 265.397 3.241 10 0 CGAERO [NH3+][C@@H](c1ccccc1)c1ncc(Br)cc1F ZINC000044138868 175146515 /nfs/dbraw/zinc/14/65/15/175146515.db2.gz DPJMZWWWPUHLKJ-NSHDSACASA-N 1 0 281.128 3.031 10 0 CGAERO CCC[N@H+](CC1CC1)[C@H](CN)c1ccc(Cl)cc1 ZINC000044298737 175161423 /nfs/dbraw/zinc/16/14/23/175161423.db2.gz FWHYHEVWQKNTMJ-OAHLLOKOSA-N 1 0 266.816 3.462 10 0 CGAERO CCN(CC(F)(F)F)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000044415724 175172902 /nfs/dbraw/zinc/17/29/02/175172902.db2.gz DYVJITLQLAEVCR-NSHDSACASA-N 1 0 280.721 3.224 10 0 CGAERO FC(F)Sc1ccc(N[C@H]2CCC[NH2+]C2)cc1 ZINC000044418947 175173296 /nfs/dbraw/zinc/17/32/96/175173296.db2.gz CVZOOROFURUDOI-JTQLQIEISA-N 1 0 258.337 3.165 10 0 CGAERO CCc1ccc(NC(=O)C2(C[NH3+])CCCCC2)cc1 ZINC000044753352 175245524 /nfs/dbraw/zinc/24/55/24/175245524.db2.gz KGGMYPKBDTVYBP-UHFFFAOYSA-N 1 0 260.381 3.097 10 0 CGAERO COc1ccc(-c2cnc(C[NH2+]C(C)C)s2)cc1 ZINC000045206073 175327533 /nfs/dbraw/zinc/32/75/33/175327533.db2.gz ZXAOILQOLUQWNN-UHFFFAOYSA-N 1 0 262.378 3.317 10 0 CGAERO CC[C@@H](CO)[NH2+]Cc1cn(C(C)C)c2ccccc12 ZINC000045945101 175387476 /nfs/dbraw/zinc/38/74/76/175387476.db2.gz UFMYNYRSUQHTDA-AWEZNQCLSA-N 1 0 260.381 3.083 10 0 CGAERO O[C@@]12CCCC[C@@H]1C[N@H+](CC1CCCCC1)CC2 ZINC000128501985 287312394 /nfs/dbraw/zinc/31/23/94/287312394.db2.gz LZAKJYHEOAVLFT-HZPDHXFCSA-N 1 0 251.414 3.194 10 0 CGAERO CC(C)[C@@H]1[NH2+]CCc2c(F)ccc(Br)c21 ZINC000070821312 176007425 /nfs/dbraw/zinc/00/74/25/176007425.db2.gz NPONZGACTLKGOX-LBPRGKRZSA-N 1 0 272.161 3.431 10 0 CGAERO C[C@H](Cc1cccs1)[N@H+]1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000071271940 176104735 /nfs/dbraw/zinc/10/47/35/176104735.db2.gz UFLSWWURFKFALK-UPJWGTAASA-N 1 0 263.406 3.265 10 0 CGAERO c1ccc2cc([C@@H]3C[NH2+]C[C@@H](C4CC4)O3)ccc2c1 ZINC000071308860 176116330 /nfs/dbraw/zinc/11/63/30/176116330.db2.gz UENFWRLNKMGTBS-IRXDYDNUSA-N 1 0 253.345 3.279 10 0 CGAERO CC[C@@H]([NH2+]Cc1ncccc1C)c1ccc(O)cc1 ZINC000071339276 176129545 /nfs/dbraw/zinc/12/95/45/176129545.db2.gz OJKYJCFQAVOHJE-OAHLLOKOSA-N 1 0 256.349 3.337 10 0 CGAERO [NH3+][C@@H]1c2cc(Br)ccc2CCC12CC2 ZINC000071489302 176190318 /nfs/dbraw/zinc/19/03/18/176190318.db2.gz LNUGOOXZXJVGHR-LLVKDONJSA-N 1 0 252.155 3.175 10 0 CGAERO COc1ccc(C(C)(C)C)cc1[C@H](C)OCC[NH3+] ZINC000071573450 176200400 /nfs/dbraw/zinc/20/04/00/176200400.db2.gz IAWZIFZQYVAMRG-NSHDSACASA-N 1 0 251.370 3.029 10 0 CGAERO C[NH2+]C1(c2ccc(Br)cc2)CCCC1 ZINC000071575409 176202789 /nfs/dbraw/zinc/20/27/89/176202789.db2.gz KFAHIAHTWNZJII-UHFFFAOYSA-N 1 0 254.171 3.438 10 0 CGAERO CCCCc1ccc([C@H](CC)N2CC[NH2+]CC2)cc1 ZINC000071587057 176214522 /nfs/dbraw/zinc/21/45/22/176214522.db2.gz BLHHVIIGZZEFHC-KRWDZBQOSA-N 1 0 260.425 3.386 10 0 CGAERO CC[NH2+][C@@H](CC)C(=O)c1cc(Cl)c(C)cc1OC ZINC000071600931 176227235 /nfs/dbraw/zinc/22/72/35/176227235.db2.gz ANOLJJWVNDHMIX-LBPRGKRZSA-N 1 0 269.772 3.228 10 0 CGAERO COc1ccc([C@@H]2[NH2+]CC3(CC3)c3cc(OC)ccc32)cc1 ZINC000071650858 176240914 /nfs/dbraw/zinc/24/09/14/176240914.db2.gz CKMDPRYCUAYAOJ-SFHVURJKSA-N 1 0 295.382 3.428 10 0 CGAERO c1ccc(C[N@@H+]2CCCC[C@@H]2c2ccncn2)cc1 ZINC000072384956 176388662 /nfs/dbraw/zinc/38/86/62/176388662.db2.gz NDUHMKCFTIMLAX-MRXNPFEDSA-N 1 0 253.349 3.204 10 0 CGAERO C[C@@H]1CCC[C@]1(C[NH3+])c1cccc(Br)c1 ZINC000076397991 177015233 /nfs/dbraw/zinc/01/52/33/177015233.db2.gz FRIZRNOGTWJRAK-ZWNOBZJWSA-N 1 0 268.198 3.466 10 0 CGAERO CCc1cccc(OC[C@H](C[NH3+])c2ccccc2)c1 ZINC000076660598 177048780 /nfs/dbraw/zinc/04/87/80/177048780.db2.gz KRIPAJFZJONTQY-INIZCTEOSA-N 1 0 255.361 3.370 10 0 CGAERO CCc1ccc(OC[C@@H](C[NH3+])c2ccccc2)cc1 ZINC000076660602 177048869 /nfs/dbraw/zinc/04/88/69/177048869.db2.gz SLDKIVJEWKNMBY-MRXNPFEDSA-N 1 0 255.361 3.370 10 0 CGAERO Cc1cccc(CC[C@@H](CC[NH3+])c2cccn2C)c1 ZINC000076663320 177050217 /nfs/dbraw/zinc/05/02/17/177050217.db2.gz JGYNRTYRBOSJQE-INIZCTEOSA-N 1 0 256.393 3.399 10 0 CGAERO [NH3+]CC[C@@H](CCc1cccc(F)c1)c1ccccn1 ZINC000076666269 177051104 /nfs/dbraw/zinc/05/11/04/177051104.db2.gz BXGRMJPKJZHPDO-CQSZACIVSA-N 1 0 258.340 3.286 10 0 CGAERO CC[C@@H](C[NH3+])CC(=O)Nc1ccccc1C(C)(C)C ZINC000076675773 177055983 /nfs/dbraw/zinc/05/59/83/177055983.db2.gz GAWSVGYYXBCREQ-GFCCVEGCSA-N 1 0 262.397 3.298 10 0 CGAERO Cc1ccc(NC(=O)CC[C@H](C[NH3+])C(C)C)c(C)c1 ZINC000076676031 177056018 /nfs/dbraw/zinc/05/60/18/177056018.db2.gz QPKDIASQXJPFSA-CQSZACIVSA-N 1 0 262.397 3.253 10 0 CGAERO CC[C@@H](C[NH3+])CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000076675779 177056068 /nfs/dbraw/zinc/05/60/68/177056068.db2.gz JTXCDXFJHPNCCT-GFCCVEGCSA-N 1 0 262.397 3.298 10 0 CGAERO Cc1ccc(NC(=O)[C@H](CC[NH3+])CC(C)C)c(C)c1 ZINC000076675514 177056090 /nfs/dbraw/zinc/05/60/90/177056090.db2.gz UPKVRKPKNZIMTD-CQSZACIVSA-N 1 0 262.397 3.253 10 0 CGAERO COc1ccc(F)cc1[C@@H](C[NH3+])CCc1ccco1 ZINC000076677289 177056421 /nfs/dbraw/zinc/05/64/21/177056421.db2.gz UIBXHWQLXBTUAL-LLVKDONJSA-N 1 0 263.312 3.102 10 0 CGAERO COc1cc(C)c([C@H](CC[NH3+])C2CCC2)c(OC)c1 ZINC000076678629 177057118 /nfs/dbraw/zinc/05/71/18/177057118.db2.gz BDJKHMLRXMEQFQ-CQSZACIVSA-N 1 0 263.381 3.245 10 0 CGAERO CC[C@H](C[NH3+])CCC(=O)Nc1cc(Cl)ccc1C ZINC000076706060 177065882 /nfs/dbraw/zinc/06/58/82/177065882.db2.gz LFDLPIQATPUVRT-NSHDSACASA-N 1 0 268.788 3.352 10 0 CGAERO C[C@H](C[NH3+])CCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000076719166 177069445 /nfs/dbraw/zinc/06/94/45/177069445.db2.gz YWOVDTMLDVEWGY-VIFPVBQESA-N 1 0 274.286 3.019 10 0 CGAERO COc1ccc(Cl)cc1[C@]1(C[NH3+])CCC[C@H]1C ZINC000077607310 177284094 /nfs/dbraw/zinc/28/40/94/177284094.db2.gz PCTVQHZPIHWBEE-YGRLFVJLSA-N 1 0 253.773 3.365 10 0 CGAERO CSc1ccc(-c2csc(CCC[NH3+])n2)cc1 ZINC000078899347 177403584 /nfs/dbraw/zinc/40/35/84/177403584.db2.gz ZRKSYHMFDIREBL-UHFFFAOYSA-N 1 0 264.419 3.423 10 0 CGAERO C[C@H](NC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)c1ccccc1Cl ZINC000407263883 416558056 /nfs/dbraw/zinc/55/80/56/416558056.db2.gz LSAORSANPQRLHD-COLVAYQJSA-N 1 0 292.810 3.048 10 0 CGAERO CC[C@@H]1CCC[C@@](C[NH3+])(C(=O)OC(C)(C)C)CC1 ZINC000725244639 544112110 /nfs/dbraw/zinc/11/21/10/544112110.db2.gz KYYDMEWJGFDMIG-IUODEOHRSA-N 1 0 255.402 3.264 10 0 CGAERO CCC[C@H](C)C(=O)N1c2ccccc2CCC[C@H]1C[NH3+] ZINC000725262614 544113858 /nfs/dbraw/zinc/11/38/58/544113858.db2.gz IUTJNMPWHOXMID-ZFWWWQNUSA-N 1 0 274.408 3.119 10 0 CGAERO CC[NH2+][C@@H](C)c1c(Br)ccc(F)c1F ZINC000725261779 544113886 /nfs/dbraw/zinc/11/38/86/544113886.db2.gz HMPALMUCSPCUMJ-LURJTMIESA-N 1 0 264.113 3.398 10 0 CGAERO Clc1cc(Cl)cc(-c2cnnn2[C@H]2CCC[NH2+]C2)c1 ZINC000725266115 544114493 /nfs/dbraw/zinc/11/44/93/544114493.db2.gz NTNKOSIKWDUYJD-LBPRGKRZSA-N 1 0 297.189 3.176 10 0 CGAERO CC[C@@H]([NH2+]C1CC(CO)C1)c1ccc(Cl)cc1 ZINC000658352519 418946719 /nfs/dbraw/zinc/94/67/19/418946719.db2.gz YCTZYBWSNXMXQE-UZANAETPSA-N 1 0 253.773 3.152 10 0 CGAERO C[C@@H]([NH2+]C1CC(CO)C1)c1ccc2ccccc2c1 ZINC000658351165 418947244 /nfs/dbraw/zinc/94/72/44/418947244.db2.gz KOVSTGNLARVFNG-SFYCDEOASA-N 1 0 255.361 3.261 10 0 CGAERO CC1(C)CC(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC(C)(C)C1 ZINC000659345886 418979229 /nfs/dbraw/zinc/97/92/29/418979229.db2.gz VFDHZFWBSFJJPQ-ZIAGYGMSSA-N 1 0 280.456 3.083 10 0 CGAERO CC(C)(C)[C@@H]1CCC[N@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000660454120 419146135 /nfs/dbraw/zinc/14/61/35/419146135.db2.gz VLRZJGZZQFFQGS-RRFJBIMHSA-N 1 0 253.430 3.296 10 0 CGAERO Cc1ncc(C[NH2+][C@@H](C)c2ccc(C)cc2C)n1C ZINC000657317346 419249041 /nfs/dbraw/zinc/24/90/41/419249041.db2.gz DATYGJSPIACZOW-ZDUSSCGKSA-N 1 0 257.381 3.196 10 0 CGAERO C[C@H]([NH2+]Cc1cnc2n1CCC2)c1ccc(F)c(Cl)c1 ZINC000657328110 419251752 /nfs/dbraw/zinc/25/17/52/419251752.db2.gz SEGFZFUNMBYYSW-JTQLQIEISA-N 1 0 293.773 3.473 10 0 CGAERO CCC1(CC)CCC[N@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000661672886 419284695 /nfs/dbraw/zinc/28/46/95/419284695.db2.gz QKKQVRLIJUZMJJ-LSDHHAIUSA-N 1 0 253.430 3.440 10 0 CGAERO COC[C@H](CC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)OC ZINC000658086565 419554378 /nfs/dbraw/zinc/55/43/78/419554378.db2.gz WEJOOJUXPFUNIX-CAOSSQGBSA-N 1 0 271.445 3.088 10 0 CGAERO C[C@H](COCc1ccccc1)N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000390565820 262218805 /nfs/dbraw/zinc/21/88/05/262218805.db2.gz PLHLCVAPGYBSAY-NIKGAXFTSA-N 1 0 296.414 3.326 10 0 CGAERO CCn1nc(C)c([C@H](C)[NH2+]Cc2ccnc(C)c2)c1C ZINC000391135822 262383695 /nfs/dbraw/zinc/38/36/95/262383695.db2.gz PKDFKOZHVQQGGS-LBPRGKRZSA-N 1 0 272.396 3.074 10 0 CGAERO COCCOCCC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000034676166 270027483 /nfs/dbraw/zinc/02/74/83/270027483.db2.gz BBCMVIWVKRCPBQ-HRCADAONSA-N 1 0 271.445 3.090 10 0 CGAERO COc1cccc(NC(=O)C[NH2+][C@H](C)c2cccs2)c1 ZINC000035133044 270027672 /nfs/dbraw/zinc/02/76/72/270027672.db2.gz FHUXYROCBXPRKK-LLVKDONJSA-N 1 0 290.388 3.046 10 0 CGAERO CC[C@@H](C(=O)NC[C@H](C)[NH+](CC)CC)c1ccc(F)cc1 ZINC000041307490 270030887 /nfs/dbraw/zinc/03/08/87/270030887.db2.gz GWBOHXMDBSOJHI-XJKSGUPXSA-N 1 0 294.414 3.166 10 0 CGAERO CCCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000042337289 270032483 /nfs/dbraw/zinc/03/24/83/270032483.db2.gz QCERMGLDFOCLBO-GJZGRUSLSA-N 1 0 276.424 3.341 10 0 CGAERO CC(C)c1nc2c(n1C)CC[N@H+](CC1CCCCC1)C2 ZINC000106370046 270048656 /nfs/dbraw/zinc/04/86/56/270048656.db2.gz WSLXFJIKBNSCMI-UHFFFAOYSA-N 1 0 275.440 3.482 10 0 CGAERO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1nnc(C)n1CC ZINC000191829765 270076261 /nfs/dbraw/zinc/07/62/61/270076261.db2.gz FAICYERYJPNACX-ZIAGYGMSSA-N 1 0 264.417 3.055 10 0 CGAERO O[C@]12CCCC[C@H]1C[N@H+](Cc1cccc(Cl)c1)CC2 ZINC000220380678 270086003 /nfs/dbraw/zinc/08/60/03/270086003.db2.gz PWIPRCWWWFGIAM-HOCLYGCPSA-N 1 0 279.811 3.467 10 0 CGAERO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCCN2C)cc1C ZINC000222705167 270086301 /nfs/dbraw/zinc/08/63/01/270086301.db2.gz ACQBPWMTZDRQNT-JKSUJKDBSA-N 1 0 260.425 3.357 10 0 CGAERO CC(C)(C)c1ccc(C[N@@H+]2CC[C@H](CCO)C2)cc1 ZINC000227566253 270087222 /nfs/dbraw/zinc/08/72/22/270087222.db2.gz XCAZWSQMDHSIJF-OAHLLOKOSA-N 1 0 261.409 3.188 10 0 CGAERO CCN1CCC[C@@H]([NH2+][C@H](C)c2ccc(C)cc2C)C1 ZINC000250339495 270091315 /nfs/dbraw/zinc/09/13/15/270091315.db2.gz PORNJWLTZRVDKW-HZPDHXFCSA-N 1 0 260.425 3.438 10 0 CGAERO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CN(C(C)C)C[C@H]1C)CC2 ZINC000181281858 274139092 /nfs/dbraw/zinc/13/90/92/274139092.db2.gz AQZGHQRPNRFNLH-XWIAVFTESA-N 1 0 288.435 3.001 10 0 CGAERO C[C@@H]([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)C(=O)NCc1ccco1 ZINC000248001161 287753192 /nfs/dbraw/zinc/75/31/92/287753192.db2.gz KKFDEFRDZQJQLE-MCIONIFRSA-N 1 0 292.423 3.089 10 0 CGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCC[C@H]1CO)CC2 ZINC000248216327 287756826 /nfs/dbraw/zinc/75/68/26/287756826.db2.gz ZSHGCEDPRXOQBL-BHYGNILZSA-N 1 0 259.393 3.123 10 0 CGAERO C[C@H](CSC(C)(C)C)[NH2+][C@@H]1Cc2ccccc2[C@@H]1O ZINC000178357852 274495618 /nfs/dbraw/zinc/49/56/18/274495618.db2.gz VVRCHAGNUYLTGT-DFBGVHRSSA-N 1 0 279.449 3.155 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CGAERO CC(C)[NH2+]CCCc1cnn(-c2ccc(Cl)cc2)c1 ZINC000054670180 519721411 /nfs/dbraw/zinc/72/14/11/519721411.db2.gz XICDIJXDWWMKJQ-UHFFFAOYSA-N 1 0 277.799 3.456 10 0 CGAERO CC(C)[NH2+]CC[C@H](C)N(Cc1cccs1)C1CC1 ZINC000052370760 519722387 /nfs/dbraw/zinc/72/23/87/519722387.db2.gz YXSOARBAWPNSHX-ZDUSSCGKSA-N 1 0 266.454 3.489 10 0 CGAERO CC(C)[NH2+]C[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC000054594354 519724392 /nfs/dbraw/zinc/72/43/92/519724392.db2.gz UMMRBFYNWLLQIH-AAEUAGOBSA-N 1 0 255.308 3.390 10 0 CGAERO CC(C)C[NH2+]CCCN(Cc1ccsc1)C1CC1 ZINC000052542003 519743798 /nfs/dbraw/zinc/74/37/98/519743798.db2.gz KSFQAFCFEUZNRZ-UHFFFAOYSA-N 1 0 266.454 3.348 10 0 CGAERO CC(C)C[NH2+]C[C@@H](c1ccccc1)N(C)CC1CC1 ZINC000052483727 519744797 /nfs/dbraw/zinc/74/47/97/519744797.db2.gz JQHGJSQMPVQLEO-KRWDZBQOSA-N 1 0 260.425 3.315 10 0 CGAERO CC(C)[C@@H](CN(C)C)[NH2+]Cc1ccc(Br)cc1 ZINC000049195035 519793713 /nfs/dbraw/zinc/79/37/13/519793713.db2.gz JLRJBZMRPBEOLT-CQSZACIVSA-N 1 0 299.256 3.125 10 0 CGAERO 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CC[C@H]1CN(c2ccc(F)cc2C)[C@@H](CC)C[NH2+]1 ZINC000083383608 536160593 /nfs/dbraw/zinc/16/05/93/536160593.db2.gz CWYIMMQEVOEZCN-KBPBESRZSA-N 1 0 250.361 3.101 10 0 CGAERO CC[C@H]1C[NH2+][C@H](C)CN1c1cc(F)ccc1Cl ZINC000083418400 536169657 /nfs/dbraw/zinc/16/96/57/536169657.db2.gz AQRWODJEOWVBBK-KOLCDFICSA-N 1 0 256.752 3.056 10 0 CGAERO CC(C)[C@H]1CC[C@@H](C)C[C@@]1([NH3+])C(=O)OC(C)(C)C ZINC000521401118 570373898 /nfs/dbraw/zinc/37/38/98/570373898.db2.gz YCIQZPGSKLSLAT-JMSVASOKSA-N 1 0 255.402 3.118 10 0 CGAERO CCC(C)(C)C1CCC([C@](O)(C[NH3+])C(F)(F)F)CC1 ZINC000675052423 570321814 /nfs/dbraw/zinc/32/18/14/570321814.db2.gz FAAGMWFYJPIRNO-GCZXYKMCSA-N 1 0 281.362 3.481 10 0 CGAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000094646842 571940139 /nfs/dbraw/zinc/94/01/39/571940139.db2.gz DHMZQHJPDQIUDU-CABZTGNLSA-N 1 0 286.297 3.032 10 0 CGAERO Cc1ccc(CN(C)[C@H]2CCC[NH2+]CC2)c(Cl)c1 ZINC000226466673 572352142 /nfs/dbraw/zinc/35/21/42/572352142.db2.gz VJOKFSBXZKPJSO-AWEZNQCLSA-N 1 0 266.816 3.222 10 0 CGAERO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1cccc(Br)c1 ZINC000217667033 572396411 /nfs/dbraw/zinc/39/64/11/572396411.db2.gz FAODDTYSZCIPML-LEWSCRJBSA-N 1 0 298.224 3.403 10 0 CGAERO C[N@H+](C[C@@H](O)c1cccc(C(F)(F)F)c1)CC1CC1 ZINC000042248124 620713371 /nfs/dbraw/zinc/71/33/71/620713371.db2.gz FLGUABUKSMYLDH-CYBMUJFWSA-N 1 0 273.298 3.081 10 0 CGAERO CC(C)(C)OC(=O)C[C@]1([NH3+])CCCC12CCCC2 ZINC000757171478 617831978 /nfs/dbraw/zinc/83/19/78/617831978.db2.gz RLWFFBGXCKPVNI-OAHLLOKOSA-N 1 0 253.386 3.160 10 0 CGAERO CC(C)(C)OC(=O)N1CCC2(CCC[C@@H]2CC[NH3+])CC1 ZINC000757196379 617842517 /nfs/dbraw/zinc/84/25/17/617842517.db2.gz WWJGZADDLSJOIJ-CYBMUJFWSA-N 1 0 282.428 3.153 10 0 CGAERO CO[C@@H]1C[C@H]([NH2+][C@@H](C)COCc2ccccc2)C12CCC2 ZINC000308333992 618210136 /nfs/dbraw/zinc/21/01/36/618210136.db2.gz ADKAQXGTUOOGHQ-BHYGNILZSA-N 1 0 289.419 3.139 10 0 CGAERO [NH3+]CCCn1cc(-c2cc(Cl)ccc2Cl)cn1 ZINC000310257964 618783613 /nfs/dbraw/zinc/78/36/13/618783613.db2.gz FTCKZVBOSLHFFM-UHFFFAOYSA-N 1 0 270.163 3.206 10 0 CGAERO C[C@H](C[NH2+][C@H]1CCCC1(C)C)N(C)C(=O)OC(C)(C)C ZINC000309966537 619047998 /nfs/dbraw/zinc/04/79/98/619047998.db2.gz FNNJIXYWLFCAML-OLZOCXBDSA-N 1 0 284.444 3.410 10 0 CGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000310019124 619070879 /nfs/dbraw/zinc/07/08/79/619070879.db2.gz MIJJKBCXZZLKGO-UJPOAAIJSA-N 1 0 257.468 3.144 10 0 CGAERO CC(C)CC1(c2nc(C3CC[NH2+]CC3)no2)CCCC1 ZINC000094908439 619265510 /nfs/dbraw/zinc/26/55/10/619265510.db2.gz CLXXBHVSUPASCZ-UHFFFAOYSA-N 1 0 277.412 3.395 10 0 CGAERO [NH3+]Cc1c[nH]c2cccc(OCc3ccccc3)c12 ZINC000144679641 620220193 /nfs/dbraw/zinc/22/01/93/620220193.db2.gz FSXNVYKNFYETJC-UHFFFAOYSA-N 1 0 252.317 3.206 10 0 CGAERO Cc1cc(CN2C[C@H]3CCCC[N@H+]3C[C@H]2C)cc(Cl)n1 ZINC000320832513 620247107 /nfs/dbraw/zinc/24/71/07/620247107.db2.gz HXQWXERXRLKAQI-UKRRQHHQSA-N 1 0 293.842 3.102 10 0 CGAERO CC[C@H]([NH2+]C[C@@H](O)C(C)(C)C)c1ccc2c(c1)CCO2 ZINC000164040906 622810510 /nfs/dbraw/zinc/81/05/10/622810510.db2.gz QMKGAEXPNQGEKT-GOEBONIOSA-N 1 0 277.408 3.069 10 0 CGAERO C[C@@H](C[NH3+])c1noc(-c2cc3sccc3s2)n1 ZINC000156494261 622822381 /nfs/dbraw/zinc/82/23/81/622822381.db2.gz FQBLVDKAVVSPKT-LURJTMIESA-N 1 0 265.363 3.075 10 0 CGAERO c1ccc(CC[NH2+]C[C@@H]2CCC3(CCCC3)O2)cc1 ZINC000229266773 623115861 /nfs/dbraw/zinc/11/58/61/623115861.db2.gz YBTBGDQTVBWTSO-INIZCTEOSA-N 1 0 259.393 3.311 10 0 CGAERO c1c2ccccc2sc1-c1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000063084802 623295223 /nfs/dbraw/zinc/29/52/23/623295223.db2.gz CYBVRCPFHPSWGM-NSHDSACASA-N 1 0 299.399 3.493 10 0 CGAERO CCC1CCC(c2noc(CC[NH2+]C3CC3)n2)CC1 ZINC000087933417 623319906 /nfs/dbraw/zinc/31/99/06/623319906.db2.gz XGFQQXPWGMCGFF-UHFFFAOYSA-N 1 0 263.385 3.048 10 0 CGAERO Cc1cnc([C@H](C)[NH2+][C@H](C)Cc2cccc(F)c2)o1 ZINC000231901056 623348998 /nfs/dbraw/zinc/34/89/98/623348998.db2.gz UKCKHHAHOGOPII-PWSUYJOCSA-N 1 0 262.328 3.404 10 0 CGAERO CCCCC[C@H](C)NC(=O)C[NH2+][C@@H](C)c1cccs1 ZINC000183604785 625097232 /nfs/dbraw/zinc/09/72/32/625097232.db2.gz WNOGZMBJJHIRGA-STQMWFEESA-N 1 0 282.453 3.484 10 0 CGAERO Nc1cc[nH+]c(-c2ccc(C(F)(F)F)cc2F)c1N ZINC000757569674 630501478 /nfs/dbraw/zinc/50/14/78/630501478.db2.gz ZJEYXWCMFXYPPZ-UHFFFAOYSA-N 1 0 271.217 3.071 10 0 CGAERO CC(C)(C)OC(=O)[C@]1(F)C[C@H](C(C)(C)C)CC[C@H]1[NH3+] ZINC000757183312 630587984 /nfs/dbraw/zinc/58/79/84/630587984.db2.gz NPRWLMIOVPRVEA-HFAKWTLXSA-N 1 0 273.392 3.210 10 0 CGAERO CC(C)[C@H]([NH3+])CC(=O)Nc1ccc(SC(F)F)cc1 ZINC000123877629 633917132 /nfs/dbraw/zinc/91/71/32/633917132.db2.gz FPRPKEFGCYHDLK-LLVKDONJSA-N 1 0 288.363 3.313 10 0 CGAERO CC(C)c1ccc([C@H](C)[NH2+]C[C@H]2CCCS2(=O)=O)cc1 ZINC000126899274 635355888 /nfs/dbraw/zinc/35/58/88/635355888.db2.gz MQFORPKFHCOWMX-XJKSGUPXSA-N 1 0 295.448 3.038 10 0 CGAERO CC[C@H](C)c1noc([C@@H](C)[C@H]([NH3+])c2ccccc2)n1 ZINC000129611199 636320790 /nfs/dbraw/zinc/32/07/90/636320790.db2.gz AFJQETGAVNJPNX-GVXVVHGQSA-N 1 0 259.353 3.387 10 0 CGAERO Cc1ccc([C@@H](C)[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)o1 ZINC000131722270 636742614 /nfs/dbraw/zinc/74/26/14/636742614.db2.gz CIVTXIYRHAMMIC-PNESKVBLSA-N 1 0 294.395 3.294 10 0 CGAERO CC(C)c1ccc([C@H](C)NC(=O)C[C@H]([NH3+])C2CC2)cc1 ZINC000137281017 637445485 /nfs/dbraw/zinc/44/54/85/637445485.db2.gz HPYFAUDYJWFKDX-LRDDRELGSA-N 1 0 274.408 3.115 10 0 CGAERO Cc1c(Cl)cccc1-c1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000219978131 637592440 /nfs/dbraw/zinc/59/24/40/637592440.db2.gz PRJITLVKADBSBH-LLVKDONJSA-N 1 0 291.782 3.241 10 0 CGAERO C[C@H](CC[NH2+][C@H]1CCCC[C@H]1C)NC(=O)OC(C)(C)C ZINC000300203740 637826904 /nfs/dbraw/zinc/82/69/04/637826904.db2.gz KZPIGNRRSGTDMA-MCIONIFRSA-N 1 0 284.444 3.458 10 0 CGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000300359085 637832817 /nfs/dbraw/zinc/83/28/17/637832817.db2.gz MLTHDAHBTYBQHT-QPSCCSFWSA-N 1 0 296.455 3.458 10 0 CGAERO C[C@H](CC[NH2+]CCC(C)(C)C)NC(=O)OC(C)(C)C ZINC000187875435 640103389 /nfs/dbraw/zinc/10/33/89/640103389.db2.gz NIDYYPZLPQOVEF-GFCCVEGCSA-N 1 0 272.433 3.316 10 0 CGAERO O[C@@H](C[C@@H]1CCC[N@@H+]1CCOCC1CC1)c1ccccc1 ZINC000076107390 640176268 /nfs/dbraw/zinc/17/62/68/640176268.db2.gz KDBPUYPPFGDUCS-ROUUACIJSA-N 1 0 289.419 3.001 10 0 CGAERO Cc1c(Cl)cccc1NC(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089385771 640643097 /nfs/dbraw/zinc/64/30/97/640643097.db2.gz VTDMFITUJRQIJU-NEPJUHHUSA-N 1 0 280.799 3.352 10 0 CGAERO Cc1cccc(Cc2noc([C@H]3CCCC[C@@H]3C[NH3+])n2)c1 ZINC000089383534 640643178 /nfs/dbraw/zinc/64/31/78/640643178.db2.gz YADXXFUVMKRSCW-CABCVRRESA-N 1 0 285.391 3.201 10 0 CGAERO Cc1cccc(NC(=O)[C@@H]2CCCC[C@H]2C[NH3+])c1C ZINC000089386735 640643488 /nfs/dbraw/zinc/64/34/88/640643488.db2.gz JOAXYPVROVMHLQ-UONOGXRCSA-N 1 0 260.381 3.007 10 0 CGAERO CC(C)(C)c1ccccc1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089451989 640646625 /nfs/dbraw/zinc/64/66/25/640646625.db2.gz SUIVTQMDGXEHCZ-STQMWFEESA-N 1 0 274.408 3.298 10 0 CGAERO C[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)c2ccco2)CC(C)(C)C1 ZINC000246112105 640657960 /nfs/dbraw/zinc/65/79/60/640657960.db2.gz IGDFJOCIQTXJEK-DVOMOZLQSA-N 1 0 265.397 3.292 10 0 CGAERO C[C@H]([NH2+][C@H]1Cc2ccccc2[C@H]1O)C1CCCCC1 ZINC000247411120 640720725 /nfs/dbraw/zinc/72/07/25/640720725.db2.gz ZDXXCBRAQBMCCP-AFAVFJNCSA-N 1 0 259.393 3.203 10 0 CGAERO CCCCC[C@H](C(=O)N[C@H]1CCC[NH2+][C@H]1C)C(C)C ZINC000248904836 640786348 /nfs/dbraw/zinc/78/63/48/640786348.db2.gz ZZWXIZKBOBMKPQ-KKUMJFAQSA-N 1 0 268.445 3.096 10 0 CGAERO [NH3+][C@H](CC(F)(F)F)c1ccccc1Br ZINC000095660363 185017518 /nfs/dbraw/zinc/01/75/18/185017518.db2.gz VTTCARHACAQRDT-MRVPVSSYSA-N 1 0 268.076 3.401 10 0 CGAERO CCCSCc1nc(CCC)c(C[NH2+]C)s1 ZINC000082427858 178003376 /nfs/dbraw/zinc/00/33/76/178003376.db2.gz VZNKWEXLCNIHFY-UHFFFAOYSA-N 1 0 258.456 3.458 10 0 CGAERO CCCc1nc(-c2cnccn2)sc1C[NH2+]C(C)C ZINC000082429187 178006140 /nfs/dbraw/zinc/00/61/40/178006140.db2.gz HOHIROKSXMDKJY-UHFFFAOYSA-N 1 0 276.409 3.051 10 0 CGAERO C[NH2+]Cc1sc(N2CCCC[C@H]2C)nc1C(C)C ZINC000082434774 178012308 /nfs/dbraw/zinc/01/23/08/178012308.db2.gz ZWOHRKCBRQZGAR-LLVKDONJSA-N 1 0 267.442 3.365 10 0 CGAERO C[NH2+]Cc1sc([C@H]2CCCO2)nc1C(C)(C)C ZINC000082440103 178018599 /nfs/dbraw/zinc/01/85/99/178018599.db2.gz DCCQLDLVQCIUBA-SECBINFHSA-N 1 0 254.399 3.012 10 0 CGAERO COCc1nc(C(C)(C)C)c(C[NH2+]C(C)C)s1 ZINC000082440611 178019506 /nfs/dbraw/zinc/01/95/06/178019506.db2.gz FRWXVBOVGKMYDL-UHFFFAOYSA-N 1 0 256.415 3.085 10 0 CGAERO CC[NH2+]Cc1sc(-c2ccccc2C)nc1COC ZINC000082441354 178020909 /nfs/dbraw/zinc/02/09/09/178020909.db2.gz BIJWIPWYKPEKIN-UHFFFAOYSA-N 1 0 276.405 3.374 10 0 CGAERO CC1(C)c2cc([C@@H]([NH3+])C3CCCC3)ccc2NC1=O ZINC000082620657 178131898 /nfs/dbraw/zinc/13/18/98/178131898.db2.gz UOWIRCYYGHEMLY-AWEZNQCLSA-N 1 0 258.365 3.106 10 0 CGAERO C[NH2+]Cc1cnn(-c2ccccc2Cl)c1C(F)(F)F ZINC000082667517 178155627 /nfs/dbraw/zinc/15/56/27/178155627.db2.gz GDBQXQYQVCFXNA-UHFFFAOYSA-N 1 0 289.688 3.264 10 0 CGAERO C[C@@H]1COC2(C1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096089749 185094400 /nfs/dbraw/zinc/09/44/00/185094400.db2.gz NKBYJWAAEQZSSX-ZDUSSCGKSA-N 1 0 263.356 3.217 10 0 CGAERO c1ccc(CN2CCC[C@]3(C2)CCCCC[NH2+]3)cc1 ZINC000096884938 185120190 /nfs/dbraw/zinc/12/01/90/185120190.db2.gz OFPUEADITUVQRM-KRWDZBQOSA-N 1 0 258.409 3.185 10 0 CGAERO CC1(C)[C@@H](C[NH3+])[C@@H]1c1ccccc1Br ZINC000096958908 185142583 /nfs/dbraw/zinc/14/25/83/185142583.db2.gz HWMUWNKJMLUMMR-ONGXEEELSA-N 1 0 254.171 3.147 10 0 CGAERO [NH3+]Cc1cccc(CN2CCc3cc(Cl)ccc32)c1 ZINC000027850772 344912113 /nfs/dbraw/zinc/91/21/13/344912113.db2.gz LJTCNLCJXKKDQB-UHFFFAOYSA-N 1 0 272.779 3.361 10 0 CGAERO Cc1cc(C)c2ncc([C@H](O)[C@H]3CCCC[NH2+]3)cc2c1 ZINC000032229390 344930282 /nfs/dbraw/zinc/93/02/82/344930282.db2.gz ARNXTTWDERQAAT-WBVHZDCISA-N 1 0 270.376 3.027 10 0 CGAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)CC12CC3CC(CC(C3)C1)C2 ZINC000037809805 344952969 /nfs/dbraw/zinc/95/29/69/344952969.db2.gz MIOJANQHQDHLPR-CDJLDAARSA-N 1 0 292.467 3.035 10 0 CGAERO COc1ccc2c(c1)[C@@H]1c3ccccc3C[NH2+][C@@H]1CC2 ZINC000038526497 344955341 /nfs/dbraw/zinc/95/53/41/344955341.db2.gz RTWVMHNEUMHIKU-MSOLQXFVSA-N 1 0 265.356 3.245 10 0 CGAERO Oc1ccc(Cc2ccccc2C2CC[NH2+]CC2)cc1 ZINC000039244742 344959008 /nfs/dbraw/zinc/95/90/08/344959008.db2.gz QYSMUMJPTNSALK-UHFFFAOYSA-N 1 0 267.372 3.450 10 0 CGAERO CC[NH+](CC)[C@@H](C)CNC(=O)C[C@@H](C)c1ccc(F)cc1 ZINC000041110924 344967163 /nfs/dbraw/zinc/96/71/63/344967163.db2.gz MFBNZYSYSBWDII-KGLIPLIRSA-N 1 0 294.414 3.166 10 0 CGAERO O[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-c3ccc(F)cc3)o2)C1 ZINC000037163655 344947983 /nfs/dbraw/zinc/94/79/83/344947983.db2.gz FZGQHRBRONOBRS-LSDHHAIUSA-N 1 0 289.350 3.479 10 0 CGAERO O[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000042320113 344981594 /nfs/dbraw/zinc/98/15/94/344981594.db2.gz OYCHPUJXPRRSKP-ZIAGYGMSSA-N 1 0 298.224 3.232 10 0 CGAERO CS[C@@H](c1cc(Br)cs1)[C@H](C)[NH3+] ZINC000043291102 344996473 /nfs/dbraw/zinc/99/64/73/344996473.db2.gz BXKJQDSPLDXNJD-YLWLKBPMSA-N 1 0 266.229 3.262 10 0 CGAERO CS[C@H](c1ccc(Br)s1)[C@@H](C)[NH3+] ZINC000043284160 344996856 /nfs/dbraw/zinc/99/68/56/344996856.db2.gz DSVQJQKOFQENHF-XRGYYRRGSA-N 1 0 266.229 3.262 10 0 CGAERO CC(C)[C@@H]([NH3+])Cc1ccc(F)cc1Br ZINC000053818044 345125469 /nfs/dbraw/zinc/12/54/69/345125469.db2.gz UWUXIXDIWWBNQY-NSHDSACASA-N 1 0 260.150 3.114 10 0 CGAERO CCN(C(=O)C[C@H]1CCC[NH2+]C1)[C@H](C)c1ccc(F)cc1 ZINC000054308046 345132567 /nfs/dbraw/zinc/13/25/67/345132567.db2.gz ADWXTHNBJFAMBG-ZIAGYGMSSA-N 1 0 292.398 3.125 10 0 CGAERO Cc1cc(C)c([C@H](O)[C@H]([NH3+])Cc2ccccc2)c(C)c1 ZINC000054686039 345137935 /nfs/dbraw/zinc/13/79/35/345137935.db2.gz DEAGFAYVZMWIAT-SJLPKXTDSA-N 1 0 269.388 3.215 10 0 CGAERO COc1ccc2cc([C@H](O)[C@@H]([NH3+])CC(C)C)ccc2c1 ZINC000054929501 345140534 /nfs/dbraw/zinc/14/05/34/345140534.db2.gz JUMJVBYSWPCWAW-IRXDYDNUSA-N 1 0 273.376 3.255 10 0 CGAERO [NH3+][C@@H](Cc1cccs1)c1occc1Br ZINC000068982919 345369774 /nfs/dbraw/zinc/36/97/74/345369774.db2.gz VERDYBQNZVAPJU-VIFPVBQESA-N 1 0 272.167 3.346 10 0 CGAERO C[NH2+][C@@H]1CC[C@@H](Cc2sccc2Br)C1 ZINC000070744263 345394799 /nfs/dbraw/zinc/39/47/99/345394799.db2.gz HMKOKSCZBBMUGJ-RKDXNWHRSA-N 1 0 274.227 3.441 10 0 CGAERO C[C@@H]1C[NH2+]C2(CCCCC2)CN1Cc1ccccc1 ZINC000071359330 345402285 /nfs/dbraw/zinc/40/22/85/345402285.db2.gz MLGKMECWIUALFI-OAHLLOKOSA-N 1 0 258.409 3.183 10 0 CGAERO c1ccc(CCc2ccc([C@@H]3C[NH2+]CCO3)cc2)cc1 ZINC000084644647 345738812 /nfs/dbraw/zinc/73/88/12/345738812.db2.gz QHOVKAIFWKCVKH-SFHVURJKSA-N 1 0 267.372 3.133 10 0 CGAERO COc1ccc([C@H]2CC[N@@H+]3CCCC[C@H]23)cc1OC ZINC000091355969 345812061 /nfs/dbraw/zinc/81/20/61/345812061.db2.gz NGKYOIDNLPASNC-ZIAGYGMSSA-N 1 0 261.365 3.046 10 0 CGAERO CC[NH2+]CC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000090460202 345788560 /nfs/dbraw/zinc/78/85/60/345788560.db2.gz MVHYBRMRFQFTBL-UHFFFAOYSA-N 1 0 269.344 3.058 10 0 CGAERO C[C@H]1CN(Cc2ccc(C(C)(C)C)s2)[C@@H](C)C[NH2+]1 ZINC000166177555 232261888 /nfs/dbraw/zinc/26/18/88/232261888.db2.gz JBFAOPMBIXIXMA-RYUDHWBXSA-N 1 0 266.454 3.228 10 0 CGAERO COc1c2cc(F)ccc2nc([C@H](C)[NH3+])c1C1CC1 ZINC000116872701 345980227 /nfs/dbraw/zinc/98/02/27/345980227.db2.gz HJFXLXRPJGBYQE-QMMMGPOBSA-N 1 0 260.312 3.280 10 0 CGAERO COc1c2cc(F)ccc2nc([C@@H](C)[NH3+])c1C1CC1 ZINC000116872699 345980333 /nfs/dbraw/zinc/98/03/33/345980333.db2.gz HJFXLXRPJGBYQE-MRVPVSSYSA-N 1 0 260.312 3.280 10 0 CGAERO CN(C(=O)Nc1ccc([C@@H]2CC[NH2+]C2)cc1)c1ccccc1 ZINC000117743972 345985851 /nfs/dbraw/zinc/98/58/51/345985851.db2.gz KPVBXXJDPJNOTR-OAHLLOKOSA-N 1 0 295.386 3.432 10 0 CGAERO FC(F)(F)[C@]1(c2cccc(Br)c2)CC[NH2+]C1 ZINC000118239861 345987752 /nfs/dbraw/zinc/98/77/52/345987752.db2.gz PNBDYHQCHLBUHI-SNVBAGLBSA-N 1 0 294.114 3.243 10 0 CGAERO C/C(=C/c1ccc(Cl)cc1Br)C[NH3+] ZINC000126905193 346027820 /nfs/dbraw/zinc/02/78/20/346027820.db2.gz KAJBXDBSTMWQCR-DAXSKMNVSA-N 1 0 260.562 3.465 10 0 CGAERO Cc1ccc(C[C@H]2CCC[NH2+]2)c(Br)c1 ZINC000134342653 346080670 /nfs/dbraw/zinc/08/06/70/346080670.db2.gz DITVDFBRROFWFH-LLVKDONJSA-N 1 0 254.171 3.052 10 0 CGAERO CCN1CCO[C@H](C[NH2+][C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC000134441190 346082158 /nfs/dbraw/zinc/08/21/58/346082158.db2.gz APCJGTLVUFKAJN-MAUKXSAKSA-N 1 0 290.451 3.181 10 0 CGAERO CC[C@@H]([NH3+])c1c[nH]c2cccc(Br)c21 ZINC000134881768 346084730 /nfs/dbraw/zinc/08/47/30/346084730.db2.gz VALVRLYVCCPEEN-SECBINFHSA-N 1 0 253.143 3.340 10 0 CGAERO [NH3+]C[C@@H]1CCc2[nH]c3ccc(F)c(Cl)c3c2C1 ZINC000144966223 346119235 /nfs/dbraw/zinc/11/92/35/346119235.db2.gz ATXNXXLDJSBUGW-SSDOTTSWSA-N 1 0 252.720 3.024 10 0 CGAERO CC[C@H]1SCc2ccc(Br)cc2[C@H]1[NH3+] ZINC000162814717 346179855 /nfs/dbraw/zinc/17/98/55/346179855.db2.gz CZSJRQSECXPZFE-GHMZBOCLSA-N 1 0 272.211 3.474 10 0 CGAERO CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000163877609 346181375 /nfs/dbraw/zinc/18/13/75/346181375.db2.gz OMNRJESZDLUODE-IAGOWNOFSA-N 1 0 292.467 3.003 10 0 CGAERO Cc1ccccc1[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000165185555 346184150 /nfs/dbraw/zinc/18/41/50/346184150.db2.gz PVGKRIVTZOPYDN-GOSISDBHSA-N 1 0 267.372 3.089 10 0 CGAERO CC(C)(C)Nc1ccc(C[NH3+])cc1Br ZINC000169177886 346192181 /nfs/dbraw/zinc/19/21/81/346192181.db2.gz FLUIOFDZGTWBBL-UHFFFAOYSA-N 1 0 257.175 3.118 10 0 CGAERO CC[C@@H](C)[N@@H+](Cc1cccc(C)c1)C[C@@H](O)COC(C)C ZINC000169677079 346192719 /nfs/dbraw/zinc/19/27/19/346192719.db2.gz HZMSIAPMISUNOD-SJLPKXTDSA-N 1 0 293.451 3.381 10 0 CGAERO Fc1cc(Br)ccc1[C@H]1CCCC[NH2+]1 ZINC000218292581 346292861 /nfs/dbraw/zinc/29/28/61/346292861.db2.gz BCHSPZNDBRHACE-LLVKDONJSA-N 1 0 258.134 3.403 10 0 CGAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])[C@H]1c1cccc(Cl)c1 ZINC000219322218 346294946 /nfs/dbraw/zinc/29/49/46/346294946.db2.gz YXPKBVPEFXWNPT-CHWSQXEVSA-N 1 0 296.798 3.349 10 0 CGAERO CC1=CN2Oc3ccccc3[C@H]3C[N@H+](C)CCC3=C2C=C1 ZINC000223705175 346300586 /nfs/dbraw/zinc/30/05/86/346300586.db2.gz ONRZMPLBKWSDSO-INIZCTEOSA-N 1 0 280.371 3.443 10 0 CGAERO C/C(=C\CC[NH3+])c1ccc(F)c(Br)c1 ZINC000214901465 346288096 /nfs/dbraw/zinc/28/80/96/346288096.db2.gz LDFCIEYPJUQZIF-FPYGCLRLSA-N 1 0 258.134 3.340 10 0 CGAERO Cc1sc([C@@H]2C[C@H]2[C@@H](C)[NH3+])cc1Br ZINC000227914147 346311713 /nfs/dbraw/zinc/31/17/13/346311713.db2.gz SLRSRJZCAWOLKW-MHSYXAOVSA-N 1 0 260.200 3.270 10 0 CGAERO [NH3+]C/C=C/c1cc(Br)c(Br)s1 ZINC000227957963 346312774 /nfs/dbraw/zinc/31/27/74/346312774.db2.gz GLGXXPBFLKCBFE-OWOJBTEDSA-N 1 0 297.015 3.245 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000229633520 346318558 /nfs/dbraw/zinc/31/85/58/346318558.db2.gz GJZXPJYIGQHPKL-MRXNPFEDSA-N 1 0 273.424 3.234 10 0 CGAERO [NH2+]=C1CCCN1c1cc(F)ccc1Br ZINC000232248971 346325331 /nfs/dbraw/zinc/32/53/31/346325331.db2.gz ZSWVXNYQUGSISU-UHFFFAOYSA-N 1 0 257.106 3.166 10 0 CGAERO C[C@H]1C([NH3+])[C@H](C)C1c1cccc(Br)c1 ZINC000235550894 346335818 /nfs/dbraw/zinc/33/58/18/346335818.db2.gz VNADDPFGEAOJNT-JWWSKVQJSA-N 1 0 254.171 3.146 10 0 CGAERO CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCCC[C@H]1[NH3+] ZINC000250590001 346386324 /nfs/dbraw/zinc/38/63/24/346386324.db2.gz JZPMFGVTNULNBY-MGPQQGTHSA-N 1 0 282.428 3.294 10 0 CGAERO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCC[C@H]2[NH3+])C1 ZINC000257353123 346400165 /nfs/dbraw/zinc/40/01/65/346400165.db2.gz PMKFHKVDGNCTBC-BFHYXJOUSA-N 1 0 282.428 3.151 10 0 CGAERO COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCCCC[C@H]2O)cc1 ZINC000252866597 346392510 /nfs/dbraw/zinc/39/25/10/346392510.db2.gz MMELHQYPDFTNGL-BMGDILEWSA-N 1 0 291.435 3.300 10 0 CGAERO CC1([C@H]([NH3+])c2ccc(F)c(Br)c2)CC1 ZINC000306159747 346451332 /nfs/dbraw/zinc/45/13/32/346451332.db2.gz DUMQBJXEZCXIND-SNVBAGLBSA-N 1 0 258.134 3.388 10 0 CGAERO C[C@@H]1C[C@H]([NH2+]Cc2occc2Br)[C@@H]1C ZINC000306590823 346455455 /nfs/dbraw/zinc/45/54/55/346455455.db2.gz YCYAJBCEOWQMIX-MRTMQBJTSA-N 1 0 258.159 3.176 10 0 CGAERO O=C1CCCc2c1ccn2[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000306650520 346456372 /nfs/dbraw/zinc/45/63/72/346456372.db2.gz FOVKQFQUOJBLBK-MRXNPFEDSA-N 1 0 294.398 3.454 10 0 CGAERO C[C@H]1[N@H+](Cc2ccccc2)CC[C@]12NCC[C@@H](C)S2 ZINC000306733321 346457218 /nfs/dbraw/zinc/45/72/18/346457218.db2.gz SYGUXDSCMPYFSG-IIAWOOMASA-N 1 0 276.449 3.092 10 0 CGAERO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCn2ccnc21 ZINC000379140803 346555089 /nfs/dbraw/zinc/55/50/89/346555089.db2.gz FNMIZSFOKOXZHI-OUAUKWLOSA-N 1 0 273.302 3.039 10 0 CGAERO OC1([C@H]2CCC[NH2+]C2)c2ccccc2CCc2ccccc21 ZINC000584638133 346701770 /nfs/dbraw/zinc/70/17/70/346701770.db2.gz SKMNFWAPQMKHRJ-KRWDZBQOSA-N 1 0 293.410 3.021 10 0 CGAERO CCCc1cc(OCCCN2CC2)nc2ccccc12 ZINC000584650475 346704410 /nfs/dbraw/zinc/70/44/10/346704410.db2.gz OHOCRPUNECULDL-UHFFFAOYSA-N 1 0 270.376 3.272 10 0 CGAERO CC(C)[C@]1(c2cccc(O)c2)CC[N@H+](CC2CC2)C1 ZINC000584650155 346704527 /nfs/dbraw/zinc/70/45/27/346704527.db2.gz IQGIQVOOCSKULO-KRWDZBQOSA-N 1 0 259.393 3.402 10 0 CGAERO O=C(Cc1ccc(Cl)cc1)OCC[NH+]1CCCCCC1 ZINC000584653363 346705138 /nfs/dbraw/zinc/70/51/38/346705138.db2.gz FEEYFASRQSMULR-UHFFFAOYSA-N 1 0 295.810 3.302 10 0 CGAERO COc1ccc(C[C@@H](C[NH+](C)C)[C@@H](O)c2ccccc2)cc1 ZINC000584596584 346687891 /nfs/dbraw/zinc/68/78/91/346687891.db2.gz LDLZRUBTCZDJKR-HKUYNNGSSA-N 1 0 299.414 3.149 10 0 CGAERO Br/C=C/CCC[NH2+]Cc1ccccc1 ZINC000584610284 346691753 /nfs/dbraw/zinc/69/17/53/346691753.db2.gz XEGJNGQABZFXMH-WEVVVXLNSA-N 1 0 254.171 3.465 10 0 CGAERO CCOc1ccc([C@H](O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC000584617004 346693838 /nfs/dbraw/zinc/69/38/38/346693838.db2.gz HHBXLLDAOAPNJF-WMLDXEAASA-N 1 0 277.408 3.383 10 0 CGAERO CCOc1ccc([C@@H](O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC000584617005 346693916 /nfs/dbraw/zinc/69/39/16/346693916.db2.gz HHBXLLDAOAPNJF-YOEHRIQHSA-N 1 0 277.408 3.383 10 0 CGAERO COC(=O)c1ccc([C@H]2CCCC[NH2+]2)c2ccccc12 ZINC000584620756 346695892 /nfs/dbraw/zinc/69/58/92/346695892.db2.gz SCYRKOBOWLGIQJ-MRXNPFEDSA-N 1 0 269.344 3.441 10 0 CGAERO C[C@@H](N[C@@H](C)c1ccccn1)[C@H](C)[NH2+][C@@H](C)c1ccccn1 ZINC000584623720 346696459 /nfs/dbraw/zinc/69/64/59/346696459.db2.gz BPTDNJBDVYVZFT-FZKCQIBNSA-N 1 0 298.434 3.255 10 0 CGAERO c1ccc(CCNC[C@@H]2CC[C@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC000584630060 346698585 /nfs/dbraw/zinc/69/85/85/346698585.db2.gz GPMCGRRNZWNYIZ-FGTMMUONSA-N 1 0 272.436 3.130 10 0 CGAERO c1ccc2c(c1)CC[C@@H]2[NH2+]Cc1[nH]nc2ccccc21 ZINC000589639081 346804763 /nfs/dbraw/zinc/80/47/63/346804763.db2.gz MAJUWZGQVUUACP-HNNXBMFYSA-N 1 0 263.344 3.340 10 0 CGAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1nc2ccccc2s1 ZINC000604995857 348141730 /nfs/dbraw/zinc/14/17/30/348141730.db2.gz IZDGFKVPLHYFCJ-QWHCGFSZSA-N 1 0 287.432 3.359 10 0 CGAERO CC[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[C@H](C)[NH3+] ZINC000104060283 185889117 /nfs/dbraw/zinc/88/91/17/185889117.db2.gz HERMOPLTIBJQGU-GZMMTYOYSA-N 1 0 265.744 3.231 10 0 CGAERO C[NH2+][C@H](C)[C@@H](C)c1nc(-c2cccc(Cl)c2)no1 ZINC000104062988 185890042 /nfs/dbraw/zinc/89/00/42/185890042.db2.gz LENPIOJIFHFPLV-RKDXNWHRSA-N 1 0 265.744 3.101 10 0 CGAERO CC(=O)Nc1ccccc1[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000616617712 348847324 /nfs/dbraw/zinc/84/73/24/348847324.db2.gz FWDAXYPSDIFQDZ-AWEZNQCLSA-N 1 0 260.381 3.233 10 0 CGAERO CCOC(=O)c1cccc(C2CC[NH+](CC)CC2)c1 ZINC000616619619 348848191 /nfs/dbraw/zinc/84/81/91/348848191.db2.gz SKOUESUVRXHSHT-UHFFFAOYSA-N 1 0 261.365 3.063 10 0 CGAERO Nc1cc([C@H]2CCCC[N@@H+]2Cc2ccccc2)ccn1 ZINC000616612585 348845534 /nfs/dbraw/zinc/84/55/34/348845534.db2.gz KVFMYYXACGKLJI-MRXNPFEDSA-N 1 0 267.376 3.221 10 0 CGAERO [NH3+]CCN1CCCCC[C@@H]1c1ccnc2ccccc21 ZINC000616623501 348849227 /nfs/dbraw/zinc/84/92/27/348849227.db2.gz GOSNDTRTHVLPFD-QGZVFWFLSA-N 1 0 269.392 3.111 10 0 CGAERO OCC[N@@H+]1CCCCC[C@H]1c1ccc2cccnc2c1 ZINC000616625389 348850007 /nfs/dbraw/zinc/85/00/07/348850007.db2.gz MTEDMDYZCYTBCE-KRWDZBQOSA-N 1 0 270.376 3.144 10 0 CGAERO [NH3+]CCN1CCCCC[C@H]1c1cccc2cccnc21 ZINC000616624695 348850048 /nfs/dbraw/zinc/85/00/48/348850048.db2.gz GHMUYWALNHHQOC-INIZCTEOSA-N 1 0 269.392 3.111 10 0 CGAERO OCC[N@@H+]1CCCCC[C@H]1c1cccc2cnccc21 ZINC000616634049 348853337 /nfs/dbraw/zinc/85/33/37/348853337.db2.gz VZBYVGPQHAJEFZ-KRWDZBQOSA-N 1 0 270.376 3.144 10 0 CGAERO CC(C)(C)[N@@H+]1CCCO[C@H](c2ccccc2F)C1 ZINC000616650063 348855446 /nfs/dbraw/zinc/85/54/46/348855446.db2.gz RWAVTCCSWYFPDZ-AWEZNQCLSA-N 1 0 251.345 3.388 10 0 CGAERO c1ccc(C[N@@H+]2CCCOC[C@@H]2c2ccccn2)cc1 ZINC000616647673 348856163 /nfs/dbraw/zinc/85/61/63/348856163.db2.gz OWXZTSOFUGVPSX-QGZVFWFLSA-N 1 0 268.360 3.045 10 0 CGAERO CC(C)[N@@H+]1CCCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000616651883 348857127 /nfs/dbraw/zinc/85/71/27/348857127.db2.gz BHQUNFRMKNDEOW-CYBMUJFWSA-N 1 0 270.417 3.116 10 0 CGAERO COc1cccc([C@H]2CCOCC[N@@H+]2C(C)(C)C)c1 ZINC000616656181 348857683 /nfs/dbraw/zinc/85/76/83/348857683.db2.gz PUJXBIBESGZQCE-OAHLLOKOSA-N 1 0 263.381 3.257 10 0 CGAERO CC(C)[N@@H+]1CCOCC[C@H]1c1ccnc2ccccc21 ZINC000616657368 348858062 /nfs/dbraw/zinc/85/80/62/348858062.db2.gz WUWHGUMHXMRXBZ-KRWDZBQOSA-N 1 0 270.376 3.407 10 0 CGAERO c1nc([C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)co1 ZINC000616655307 348858094 /nfs/dbraw/zinc/85/80/94/348858094.db2.gz TZEWWPGDGBELPE-OAHLLOKOSA-N 1 0 256.349 3.444 10 0 CGAERO CNc1ccc([C@@H]2COCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000616660944 348858621 /nfs/dbraw/zinc/85/86/21/348858621.db2.gz RRCWKHIQTIUKRS-SFHVURJKSA-N 1 0 296.414 3.344 10 0 CGAERO CC(C)[N@@H+]1CCc2ccccc2[C@H]1c1ccccc1C(N)=O ZINC000616678907 348864656 /nfs/dbraw/zinc/86/46/56/348864656.db2.gz OSCZQEQDRKPWNO-SFHVURJKSA-N 1 0 294.398 3.141 10 0 CGAERO CCCOCCO[C@@H](C)[C@H]([NH2+]C)c1ccc(C)cc1 ZINC000104250019 185943886 /nfs/dbraw/zinc/94/38/86/185943886.db2.gz ZZMHABNBRODENK-HOCLYGCPSA-N 1 0 265.397 3.087 10 0 CGAERO CN(CC1CCCC1)c1ccc(C(N)=[NH2+])cc1Cl ZINC000104361152 185983930 /nfs/dbraw/zinc/98/39/30/185983930.db2.gz OYKYGRPOFFXKRC-UHFFFAOYSA-N 1 0 265.788 3.250 10 0 CGAERO CC[C@@](C)(C[NH2+]C(C)C)CN(C)Cc1scnc1C ZINC000104449440 186005590 /nfs/dbraw/zinc/00/55/90/186005590.db2.gz LTMSWYQCLZNRML-HNNXBMFYSA-N 1 0 283.485 3.298 10 0 CGAERO CC1(C)CC(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)C1 ZINC000625225184 350144731 /nfs/dbraw/zinc/14/47/31/350144731.db2.gz NPNLGVQRTTVVAK-HOCLYGCPSA-N 1 0 251.414 3.050 10 0 CGAERO c1csc(C[NH2+][C@H]2CCN(CCc3ccccc3)C2)c1 ZINC000040671254 137886055 /nfs/dbraw/zinc/88/60/55/137886055.db2.gz NHWTWTAJIIUBEY-INIZCTEOSA-N 1 0 286.444 3.155 10 0 CGAERO CC[C@H]([NH3+])C(=O)Nc1ccccc1Oc1cccc(C)c1 ZINC000040854928 137887749 /nfs/dbraw/zinc/88/77/49/137887749.db2.gz UVVLPQABGHINRR-AWEZNQCLSA-N 1 0 284.359 3.463 10 0 CGAERO C[C@@H]1CC(C[NH2+]C[C@]2(C)CCCS2)C[C@@H](C)O1 ZINC000628260827 350469582 /nfs/dbraw/zinc/46/95/82/350469582.db2.gz XYNJDQPINKWEOB-BZPMIXESSA-N 1 0 257.443 3.065 10 0 CGAERO C[C@H]([NH3+])c1cccc(-c2ccc3c(c2)CCOC3)c1 ZINC000629755106 350765344 /nfs/dbraw/zinc/76/53/44/350765344.db2.gz WRVCXLRRUFELIY-LBPRGKRZSA-N 1 0 253.345 3.446 10 0 CGAERO c1cnn(CC2CC[NH+](Cc3cccc4[nH]ccc43)CC2)c1 ZINC000122123199 187016720 /nfs/dbraw/zinc/01/67/20/187016720.db2.gz VMUYSVWSNPHVCA-UHFFFAOYSA-N 1 0 294.402 3.277 10 0 CGAERO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+]1CCC2(CCC2)C1 ZINC000123075847 187069627 /nfs/dbraw/zinc/06/96/27/187069627.db2.gz UCZBMUCPPCAWMM-LSDHHAIUSA-N 1 0 286.419 3.128 10 0 CGAERO Cc1ccc(C[N@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)o1 ZINC000122749481 187049141 /nfs/dbraw/zinc/04/91/41/187049141.db2.gz JIERQDRKSNWIEB-OAHLLOKOSA-N 1 0 273.380 3.275 10 0 CGAERO Cc1cnn([C@H]2CCC[N@@H+](Cc3ccc(C)s3)C2)c1 ZINC000123003223 187065273 /nfs/dbraw/zinc/06/52/73/187065273.db2.gz ITPRUPUNHRQGSF-AWEZNQCLSA-N 1 0 275.421 3.399 10 0 CGAERO Cc1cnn(CC[NH2+][C@H](C)c2ccc(Cl)s2)c1 ZINC000123983023 187116956 /nfs/dbraw/zinc/11/69/56/187116956.db2.gz WTFTYCBSTUMSKN-SNVBAGLBSA-N 1 0 269.801 3.257 10 0 CGAERO C[C@@H]([NH2+]CC1CCC(C)CC1)C(=O)Nc1ccccc1 ZINC000058790353 137926807 /nfs/dbraw/zinc/92/68/07/137926807.db2.gz HITNDEGHRWCHND-SHARSMKWSA-N 1 0 274.408 3.430 10 0 CGAERO CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC23CCC3)C1(C)C ZINC000328743902 202035913 /nfs/dbraw/zinc/03/59/13/202035913.db2.gz KGBGRQLEYSDFNR-HZSPNIEDSA-N 1 0 294.439 3.210 10 0 CGAERO CC(C)C1([NH2+][C@@H](C)c2nnnn2C2CCCCC2)CC1 ZINC000328775274 202050700 /nfs/dbraw/zinc/05/07/00/202050700.db2.gz CENISMDYRWJDOA-LBPRGKRZSA-N 1 0 277.416 3.018 10 0 CGAERO COc1ccc([C@H]([NH2+]CCCn2cccn2)C2CC2)cc1 ZINC000091282473 138343974 /nfs/dbraw/zinc/34/39/74/138343974.db2.gz CGKGQDXNLLXRPV-QGZVFWFLSA-N 1 0 285.391 3.023 10 0 CGAERO C[C@@H](c1ccccc1)[NH+]1CCC(Cc2nccn2C)CC1 ZINC000106166392 138353805 /nfs/dbraw/zinc/35/38/05/138353805.db2.gz QFLFKKNYWGUOAJ-HNNXBMFYSA-N 1 0 283.419 3.436 10 0 CGAERO Cc1cccc(C(=O)Nc2cccc3c2C[NH2+]CC3)c1C ZINC000123525659 138368189 /nfs/dbraw/zinc/36/81/89/138368189.db2.gz OCBQQOOQVBDADR-UHFFFAOYSA-N 1 0 280.371 3.201 10 0 CGAERO c1coc([C@H]2CCC[N@H+]2Cc2ccc3c(c2)OCCO3)c1 ZINC000116291786 138365822 /nfs/dbraw/zinc/36/58/22/138365822.db2.gz SVFMCUNYFNIZCZ-CQSZACIVSA-N 1 0 285.343 3.388 10 0 CGAERO Cc1cnc([C@H](C)[NH2+]C[C@H]2Cc3ccccc3O2)s1 ZINC000124357088 138374779 /nfs/dbraw/zinc/37/47/79/138374779.db2.gz MFEPUSXLAUATIQ-WCQYABFASA-N 1 0 274.389 3.106 10 0 CGAERO C[C@H](C(=O)Nc1ccc(F)c(F)c1)[C@H]([NH3+])c1ccccc1 ZINC000130051823 138398967 /nfs/dbraw/zinc/39/89/67/138398967.db2.gz PPXXJKVBXUANCG-BONVTDFDSA-N 1 0 290.313 3.239 10 0 CGAERO Cc1cc(N2CCC(Cc3ccccn3)CC2)cc[nH+]1 ZINC000193567443 138482738 /nfs/dbraw/zinc/48/27/38/138482738.db2.gz BLNDQIWLVBOOSE-UHFFFAOYSA-N 1 0 267.376 3.244 10 0 CGAERO Cc1ccsc1C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000245711981 138524142 /nfs/dbraw/zinc/52/41/42/138524142.db2.gz GDZGGCYPENPEDW-DZGCQCFKSA-N 1 0 265.422 3.184 10 0 CGAERO c1ccc2c(c1)C=C(C[NH2+][C@@H]1[C@H]3CCO[C@H]3C13CCC3)CO2 ZINC000245735207 138524554 /nfs/dbraw/zinc/52/45/54/138524554.db2.gz BEZYUXJZLKTFCM-KBAYOESNSA-N 1 0 297.398 3.010 10 0 CGAERO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1ccc2c(c1)CCO2 ZINC000248201586 138551486 /nfs/dbraw/zinc/55/14/86/138551486.db2.gz YXMYVQYGIUAIBH-HYEYJGRESA-N 1 0 287.403 3.086 10 0 CGAERO C[NH2+][C@H](C)Cc1noc([C@@H](C)Sc2ccccc2)n1 ZINC000261618807 138558401 /nfs/dbraw/zinc/55/84/01/138558401.db2.gz BNQCZTYAEXJJDR-GHMZBOCLSA-N 1 0 277.393 3.073 10 0 CGAERO Cc1cc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cs1 ZINC000294735160 199157845 /nfs/dbraw/zinc/15/78/45/199157845.db2.gz HBSWNEALGZPIPZ-CABCVRRESA-N 1 0 265.422 3.184 10 0 CGAERO CCC1(C[N@@H+]2CCC3(CCOCC3)[C@H]2C)CCOCC1 ZINC000336191038 213010081 /nfs/dbraw/zinc/01/00/81/213010081.db2.gz FPPOQKIHOONNRT-OAHLLOKOSA-N 1 0 281.440 3.084 10 0 CGAERO CCC1(C[NH+]2CCC3(CCC(O)CC3)CC2)CCOCC1 ZINC000336204940 213024230 /nfs/dbraw/zinc/02/42/30/213024230.db2.gz YWZDSAGUYBYWAF-UHFFFAOYSA-N 1 0 295.467 3.210 10 0 CGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1ccccc1C ZINC000178293257 189103930 /nfs/dbraw/zinc/10/39/30/189103930.db2.gz DBQWCXPGICLDJM-QGZVFWFLSA-N 1 0 269.392 3.165 10 0 CGAERO C[C@@H](c1nc2ccccc2o1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000181176790 189290397 /nfs/dbraw/zinc/29/03/97/189290397.db2.gz SNFYMVBICMNPCH-UONOGXRCSA-N 1 0 285.391 3.059 10 0 CGAERO Cc1cccc2c(NCCSCC(C)(C)O)cc[nH+]c12 ZINC000301681497 201136163 /nfs/dbraw/zinc/13/61/63/201136163.db2.gz SAICRICXIFYTNC-UHFFFAOYSA-N 1 0 290.432 3.459 10 0 CGAERO Cc1c(CCNc2cc[nH+]c3c(C)cccc23)cnn1C ZINC000301720429 201159460 /nfs/dbraw/zinc/15/94/60/201159460.db2.gz PVPWQYCPPQZBRR-UHFFFAOYSA-N 1 0 280.375 3.240 10 0 CGAERO Fc1ccc(C[NH+]2CCC(Cn3cccn3)CC2)c(F)c1 ZINC000120490567 370772868 /nfs/dbraw/zinc/77/28/68/370772868.db2.gz CZQWUPNKEIFGKV-UHFFFAOYSA-N 1 0 291.345 3.074 10 0 CGAERO Cc1cnn(CC[NH2+][C@@H](C)Cc2ccc(Cl)cc2)c1 ZINC000120565353 370781635 /nfs/dbraw/zinc/78/16/35/370781635.db2.gz AFRQSYJBTGEJPZ-ZDUSSCGKSA-N 1 0 277.799 3.066 10 0 CGAERO Cc1cc(NC[C@@H](O)c2ccc(Cl)s2)cc[nH+]1 ZINC000302531780 201473296 /nfs/dbraw/zinc/47/32/96/201473296.db2.gz CYQPCOFUAPNMQL-SNVBAGLBSA-N 1 0 268.769 3.250 10 0 CGAERO Cc1oc2ccccc2c1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000121289365 370849172 /nfs/dbraw/zinc/84/91/72/370849172.db2.gz SSIVYPDKSWKKOK-CZUORRHYSA-N 1 0 273.376 3.382 10 0 CGAERO Cn1ccnc1CC1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000121760684 370892883 /nfs/dbraw/zinc/89/28/83/370892883.db2.gz ZSNUVLIZLFLUCH-INIZCTEOSA-N 1 0 273.424 3.031 10 0 CGAERO CCOc1ccc(Br)cc1C[NH2+]C(C)C ZINC000010436068 368581963 /nfs/dbraw/zinc/58/19/63/368581963.db2.gz RDMIAVOSGCBWDT-UHFFFAOYSA-N 1 0 272.186 3.346 10 0 CGAERO [NH3+][C@@H](Cn1cnc2ccccc21)c1ccc(Cl)cc1 ZINC000011849848 368597486 /nfs/dbraw/zinc/59/74/86/368597486.db2.gz WUGNQWBUQGVHCK-ZDUSSCGKSA-N 1 0 271.751 3.390 10 0 CGAERO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CCCn2nc(COC)nc21 ZINC000125305209 370934140 /nfs/dbraw/zinc/93/41/40/370934140.db2.gz CZFQPAHXJDTJSS-MELADBBJSA-N 1 0 294.443 3.064 10 0 CGAERO Cc1nc(C)c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)s1 ZINC000337288138 376193612 /nfs/dbraw/zinc/19/36/12/376193612.db2.gz LLBBMKUXKXOBJH-KFWWJZLASA-N 1 0 294.464 3.275 10 0 CGAERO C[C@H](c1ccc(Oc2ccccc2)cc1)N1CC[NH2+]CC1 ZINC000024870650 368837598 /nfs/dbraw/zinc/83/75/98/368837598.db2.gz HFBPTQGTTMQGOL-OAHLLOKOSA-N 1 0 282.387 3.445 10 0 CGAERO C[NH2+][C@H]1c2cccc(Br)c2SC[C@@H]1C ZINC000035762756 369004291 /nfs/dbraw/zinc/00/42/91/369004291.db2.gz VVPGPECBPVIAOJ-OIBJUYFYSA-N 1 0 272.211 3.451 10 0 CGAERO CCC[C@@H](O)C[N@@H+](Cc1cccc(C)c1)C[C@@H]1CCCO1 ZINC000036100636 369008373 /nfs/dbraw/zinc/00/83/73/369008373.db2.gz FWVGVUFIKXMBDP-MSOLQXFVSA-N 1 0 291.435 3.137 10 0 CGAERO Oc1cccc2c1CC[C@H]2[NH2+]CCc1ccccc1 ZINC000036852050 369034710 /nfs/dbraw/zinc/03/47/10/369034710.db2.gz SQEXMAAKJZJOLO-MRXNPFEDSA-N 1 0 253.345 3.212 10 0 CGAERO COC(=O)CCC[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000037415938 369084277 /nfs/dbraw/zinc/08/42/77/369084277.db2.gz UGDAFYFCGCSBGX-CQSZACIVSA-N 1 0 293.407 3.325 10 0 CGAERO COC(=O)CCC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000037416964 369085005 /nfs/dbraw/zinc/08/50/05/369085005.db2.gz SICMJTPCOZRHJX-CYBMUJFWSA-N 1 0 271.360 3.444 10 0 CGAERO CC(C)c1ccc([C@H](C)NC(=O)C2([NH3+])CCCC2)cc1 ZINC000037616529 369092045 /nfs/dbraw/zinc/09/20/45/369092045.db2.gz MFOUHTPVKXWWCN-ZDUSSCGKSA-N 1 0 274.408 3.259 10 0 CGAERO O[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000037883618 369122596 /nfs/dbraw/zinc/12/25/96/369122596.db2.gz TUAGGQOCZCPBHH-UONOGXRCSA-N 1 0 253.773 3.123 10 0 CGAERO CCc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCCC(C)C)cc1 ZINC000037980708 369131508 /nfs/dbraw/zinc/13/15/08/369131508.db2.gz WARUUACKNRGLLU-CABCVRRESA-N 1 0 290.451 3.450 10 0 CGAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2cc(C)sc2C)C1 ZINC000040502551 369158280 /nfs/dbraw/zinc/15/82/80/369158280.db2.gz DRLNVAMKLOYCEF-JSGCOSHPSA-N 1 0 266.454 3.500 10 0 CGAERO CCN1CCC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)C1 ZINC000040502129 369158382 /nfs/dbraw/zinc/15/83/82/369158382.db2.gz HBEZYPMACNQXFE-AWEZNQCLSA-N 1 0 286.341 3.279 10 0 CGAERO [NH3+]Cc1csc(-c2cc(Br)cs2)n1 ZINC000040999770 369167527 /nfs/dbraw/zinc/16/75/27/369167527.db2.gz HWYUEJGRQZACSJ-UHFFFAOYSA-N 1 0 275.196 3.093 10 0 CGAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000042337312 369214963 /nfs/dbraw/zinc/21/49/63/369214963.db2.gz VTBJFYLQQCCUAZ-UONOGXRCSA-N 1 0 276.424 3.339 10 0 CGAERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)NC1CCCCC1 ZINC000042259645 369209656 /nfs/dbraw/zinc/20/96/56/369209656.db2.gz UQDOCDJOHYEXSN-LSDHHAIUSA-N 1 0 288.435 3.483 10 0 CGAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@@H](CC(C)C)N(C)C)c1C ZINC000045168901 369276713 /nfs/dbraw/zinc/27/67/13/369276713.db2.gz AKBOCGNGCUHGFJ-XJKSGUPXSA-N 1 0 294.487 3.147 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCCCC[C@@H]1O)c1cccc(F)c1 ZINC000049529890 369406921 /nfs/dbraw/zinc/40/69/21/369406921.db2.gz OKDGDPVLUBROBM-GLQYFDAESA-N 1 0 251.345 3.170 10 0 CGAERO OCCC[C@H]1CCC[N@@H+]1Cc1ccccc1Br ZINC000052761822 369470994 /nfs/dbraw/zinc/47/09/94/369470994.db2.gz DWOZOMIBJREVQB-CYBMUJFWSA-N 1 0 298.224 3.186 10 0 CGAERO OCCC[C@H]1CCC[N@@H+]1Cc1csc(-c2ccco2)n1 ZINC000052763083 369472079 /nfs/dbraw/zinc/47/20/79/369472079.db2.gz LSWVJWMOADTLJV-CYBMUJFWSA-N 1 0 292.404 3.140 10 0 CGAERO COc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1CCCO ZINC000052762882 369472204 /nfs/dbraw/zinc/47/22/04/369472204.db2.gz AABITZLYPKDUMU-AWEZNQCLSA-N 1 0 283.799 3.086 10 0 CGAERO C[C@@H]([NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2)c1nncn1C ZINC000037017443 296144554 /nfs/dbraw/zinc/14/45/54/296144554.db2.gz SSYYIHUUKQCQRA-XALLYKQOSA-N 1 0 288.439 3.071 10 0 CGAERO CC(C)c1ccc(-c2ccc(N3CCC[NH2+]CC3)nn2)cc1 ZINC000062203416 369621739 /nfs/dbraw/zinc/62/17/39/369621739.db2.gz CPWASNPLZLJCML-UHFFFAOYSA-N 1 0 296.418 3.067 10 0 CGAERO CC1CCC([N@H+](C)C[C@@H](O)COCc2ccccc2)CC1 ZINC000070192769 369789090 /nfs/dbraw/zinc/78/90/90/369789090.db2.gz NAQQPLZNSDCUBF-VMWRSERWSA-N 1 0 291.435 3.075 10 0 CGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](C)c1ccccc1 ZINC000079029348 369960221 /nfs/dbraw/zinc/96/02/21/369960221.db2.gz MEYVYRRTXJGANX-HOCLYGCPSA-N 1 0 291.439 3.023 10 0 CGAERO C[NH+](C)Cc1ccc2c(ccn2C(=O)OC(C)(C)C)c1 ZINC000089208893 370038995 /nfs/dbraw/zinc/03/89/95/370038995.db2.gz BWKMJCOYFMMZAW-UHFFFAOYSA-N 1 0 274.364 3.486 10 0 CGAERO CCOP(=O)(CCc1c[nH+]cc2cc[nH]c21)OCC ZINC000089220898 370039069 /nfs/dbraw/zinc/03/90/69/370039069.db2.gz CCGZRZKHIRTRKQ-UHFFFAOYSA-N 1 0 282.280 3.372 10 0 CGAERO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H]1CCCCc2ccccc21 ZINC000090223243 370059639 /nfs/dbraw/zinc/05/96/39/370059639.db2.gz IWHBJPZFRKPGSE-DLBZAZTESA-N 1 0 296.418 3.479 10 0 CGAERO Cc1ccc(C[NH+]2CCC(c3ccnn3C)CC2)c(C)c1 ZINC000092810432 370101334 /nfs/dbraw/zinc/10/13/34/370101334.db2.gz CDLZRIRFHBQMEJ-UHFFFAOYSA-N 1 0 283.419 3.417 10 0 CGAERO Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccsc3)C2)n1 ZINC000092813403 370102969 /nfs/dbraw/zinc/10/29/69/370102969.db2.gz NGYSWUSKLSOBMW-AWEZNQCLSA-N 1 0 287.432 3.386 10 0 CGAERO Clc1cccc(C[C@H]2COCC[C@H]2[NH2+]C2CC2)c1 ZINC000095073869 370169718 /nfs/dbraw/zinc/16/97/18/370169718.db2.gz HABDBAAZGHJOKP-SWLSCSKDSA-N 1 0 265.784 3.040 10 0 CGAERO CC(C)[NH2+][C@H]1CCOC[C@H]1Cc1ccccc1Cl ZINC000095088464 370172065 /nfs/dbraw/zinc/17/20/65/370172065.db2.gz RFGDLPAIQYTCJF-HIFRSBDPSA-N 1 0 267.800 3.286 10 0 CGAERO CC[NH2+]CC[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000095091550 370173241 /nfs/dbraw/zinc/17/32/41/370173241.db2.gz XTNHOHRDKQQBSW-HNNXBMFYSA-N 1 0 290.407 3.035 10 0 CGAERO Brc1cccc(SC[C@@H]2CCCC[NH2+]2)n1 ZINC000095092415 370174696 /nfs/dbraw/zinc/17/46/96/370174696.db2.gz HLVOHWDJHABIDN-VIFPVBQESA-N 1 0 287.226 3.078 10 0 CGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C/C=C/c1ccc(F)cc1 ZINC000093437541 370127575 /nfs/dbraw/zinc/12/75/75/370127575.db2.gz RHOYZSMOPWSHRK-OTWGJSKGSA-N 1 0 274.383 3.007 10 0 CGAERO COc1cccc([C@@H]2C[C@H]([NH3+])c3ccccc3N2)c1 ZINC000097758169 370253314 /nfs/dbraw/zinc/25/33/14/370253314.db2.gz LWMIXDKNXCGVMP-HOCLYGCPSA-N 1 0 254.333 3.252 10 0 CGAERO COc1c(C[NH2+]CC[C@H]2CCC[C@@H](C)C2)c(C)nn1C ZINC000115629004 370537893 /nfs/dbraw/zinc/53/78/93/370537893.db2.gz GRAKHOLWQHOCSI-TZMCWYRMSA-N 1 0 279.428 3.043 10 0 CGAERO CCC[C@@H](C(=O)Nc1ccc(CSC)cc1)[NH+](C)C ZINC000131755112 371127870 /nfs/dbraw/zinc/12/78/70/371127870.db2.gz IWNDUMCNRXWMQO-AWEZNQCLSA-N 1 0 280.437 3.218 10 0 CGAERO CCN1CCC[C@H]([NH2+][C@@H]2CSCCc3ccccc32)C1 ZINC000133059756 371223584 /nfs/dbraw/zinc/22/35/84/371223584.db2.gz VAIJDDKHGKVNJL-DOTOQJQBSA-N 1 0 290.476 3.091 10 0 CGAERO C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000134242517 371315375 /nfs/dbraw/zinc/31/53/75/371315375.db2.gz JOUVUKRMKYCAIG-QPUJVOFHSA-N 1 0 277.261 3.112 10 0 CGAERO Fc1ccccc1C1=CC[N@H+](CC2=CCCOC2)CC1 ZINC000137025635 371490564 /nfs/dbraw/zinc/49/05/64/371490564.db2.gz CXXOKRBVCSVKQD-UHFFFAOYSA-N 1 0 273.351 3.262 10 0 CGAERO CCOCC(C)(C)C[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000336840447 213746361 /nfs/dbraw/zinc/74/63/61/213746361.db2.gz QCUISMPUIQJOSV-LBPRGKRZSA-N 1 0 281.444 3.233 10 0 CGAERO C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)s1 ZINC000422803988 371820011 /nfs/dbraw/zinc/82/00/11/371820011.db2.gz GRZKRUWEAVZCRB-GKDVJIACSA-N 1 0 270.829 3.335 10 0 CGAERO CCC[C@@H](C(=O)Nc1nc2c(cccc2C)s1)[NH+](C)C ZINC000156812725 371996864 /nfs/dbraw/zinc/99/68/64/371996864.db2.gz CMBGKUACGKJSRD-NSHDSACASA-N 1 0 291.420 3.274 10 0 CGAERO Cc1ccc([C@H]([NH2+][C@H]2CCC[C@H](O)C2)C2CC2)cc1 ZINC000037321190 541864201 /nfs/dbraw/zinc/86/42/01/541864201.db2.gz WYOVXGJRSZSJBK-ULQDDVLXSA-N 1 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UPVAOWUYYZQHQO-SNVBAGLBSA-N 1 0 276.302 3.320 10 0 CGAERO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000167893576 372604601 /nfs/dbraw/zinc/60/46/01/372604601.db2.gz YCZPVFQAMBVEMA-IHRRRGAJSA-N 1 0 290.455 3.480 10 0 CGAERO COCCCCC[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000171500930 372775463 /nfs/dbraw/zinc/77/54/63/372775463.db2.gz RQRDKTAZTNGVJC-CQSZACIVSA-N 1 0 282.453 3.448 10 0 CGAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)C1 ZINC000174504130 284345464 /nfs/dbraw/zinc/34/54/64/284345464.db2.gz BBNJQFLDSXSICJ-USXIJHARSA-N 1 0 292.467 3.003 10 0 CGAERO Cc1csc([C@@H]2CCC[N@H+](CCc3cccnc3)C2)n1 ZINC000172158663 372917343 /nfs/dbraw/zinc/91/73/43/372917343.db2.gz HCYBNIHMNOERLF-OAHLLOKOSA-N 1 0 287.432 3.269 10 0 CGAERO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(C)no2)C12CCCC2 ZINC000172670347 373009951 /nfs/dbraw/zinc/00/99/51/373009951.db2.gz MOXUURNJRBVOBC-CABCVRRESA-N 1 0 278.396 3.153 10 0 CGAERO O=C(C1CCCCCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000172896725 373057784 /nfs/dbraw/zinc/05/77/84/373057784.db2.gz OWIRNNGRXDWPSC-UHFFFAOYSA-N 1 0 292.467 3.434 10 0 CGAERO CC[C@@H](O)C[N@@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000173758483 373186495 /nfs/dbraw/zinc/18/64/95/373186495.db2.gz LCGHXJFNYCUWQY-CHWSQXEVSA-N 1 0 282.453 3.217 10 0 CGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Cl)cc1 ZINC000174988840 373392375 /nfs/dbraw/zinc/39/23/75/373392375.db2.gz UGWQKUBWFNBACY-HUUCEWRRSA-N 1 0 292.810 3.039 10 0 CGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccccc1OC(F)F ZINC000175350484 373455321 /nfs/dbraw/zinc/45/53/21/373455321.db2.gz HDNXXBHLHXPOFH-AWEZNQCLSA-N 1 0 298.377 3.204 10 0 CGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cccc(C)c1C ZINC000176247392 373570091 /nfs/dbraw/zinc/57/00/91/373570091.db2.gz GPGHHMHLVGBDIB-HNNXBMFYSA-N 1 0 289.423 3.251 10 0 CGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1c(C)cccc1C ZINC000176265560 373574737 /nfs/dbraw/zinc/57/47/37/373574737.db2.gz SZWPJYAFFZFAGX-HNNXBMFYSA-N 1 0 289.423 3.251 10 0 CGAERO C[C@H]([NH2+]C[C@@H]1CCO[C@H]1C)c1cc(F)ccc1F ZINC000300586553 373636220 /nfs/dbraw/zinc/63/62/20/373636220.db2.gz CVNSMDSJHWJSLA-DCAQKATOSA-N 1 0 255.308 3.040 10 0 CGAERO Cc1cccc2c(N3CCC([C@H](C)O)CC3)cc[nH+]c12 ZINC000301674693 373797124 /nfs/dbraw/zinc/79/71/24/373797124.db2.gz PGPIGQHWLBXLTL-ZDUSSCGKSA-N 1 0 270.376 3.140 10 0 CGAERO c1coc([C@H]2CCC[N@H+]2Cc2cnn3ccccc23)c1 ZINC000179598052 373894095 /nfs/dbraw/zinc/89/40/95/373894095.db2.gz AUKQDAQRSHRGLV-OAHLLOKOSA-N 1 0 267.332 3.264 10 0 CGAERO CO[C@H]1CN(c2cc[nH+]c3c(C)cccc23)CC[C@H]1C ZINC000302601017 373904016 /nfs/dbraw/zinc/90/40/16/373904016.db2.gz YITWPKJWHYVNKQ-WBMJQRKESA-N 1 0 270.376 3.404 10 0 CGAERO CC[C@H](NC(=O)CC[C@H]([NH3+])c1ccccc1)C(C)C ZINC000071401171 541895296 /nfs/dbraw/zinc/89/52/96/541895296.db2.gz FLOMIQQNHCPHJX-GJZGRUSLSA-N 1 0 262.397 3.017 10 0 CGAERO CC[C@H]([NH2+]C[C@@H]1CCN(C)c2ccccc21)c1cnn(C)c1 ZINC000180016587 373954181 /nfs/dbraw/zinc/95/41/81/373954181.db2.gz HIQMBUGKNCUDOX-YOEHRIQHSA-N 1 0 298.434 3.085 10 0 CGAERO C[C@@H]([NH2+]CC[C@H]1C(=O)Nc2ccccc21)c1ccoc1 ZINC000180393669 373997114 /nfs/dbraw/zinc/99/71/14/373997114.db2.gz NXTYEUXWCOBICG-BXUZGUMPSA-N 1 0 270.332 3.056 10 0 CGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cccc(C)c1C ZINC000180125999 373967440 /nfs/dbraw/zinc/96/74/40/373967440.db2.gz DJAOGMLSTHNKPG-SFHVURJKSA-N 1 0 283.419 3.473 10 0 CGAERO Cn1cc([C@@H]2CC[N@H+](CC(C)(C)c3ccccc3)C2)cn1 ZINC000180331006 373990677 /nfs/dbraw/zinc/99/06/77/373990677.db2.gz GYCKXZDFMGELAO-OAHLLOKOSA-N 1 0 283.419 3.187 10 0 CGAERO [NH3+][C@H]1C[C@H]1c1cc(Br)cc(Br)c1 ZINC000307325123 374146780 /nfs/dbraw/zinc/14/67/80/374146780.db2.gz IBWKSKSNHSQCDO-IUCAKERBSA-N 1 0 290.986 3.026 10 0 CGAERO C[C@@H]([NH2+]C[C@@H](C)Cc1ccccc1)c1nnc2n1CCCC2 ZINC000182065820 374213850 /nfs/dbraw/zinc/21/38/50/374213850.db2.gz QFAQONXAZBBRJI-LSDHHAIUSA-N 1 0 298.434 3.144 10 0 CGAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)c2ccccc21 ZINC000311746144 374255564 /nfs/dbraw/zinc/25/55/64/374255564.db2.gz SMSIYFUDRUUYAD-OQUILHJVSA-N 1 0 259.393 3.376 10 0 CGAERO CO[C@@H](C)C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000182337309 374261694 /nfs/dbraw/zinc/26/16/94/374261694.db2.gz RKMWCDQORVBUAH-HOCLYGCPSA-N 1 0 299.418 3.291 10 0 CGAERO CC[N@H+](Cc1ncccc1C(=O)OC)C1CCCCC1 ZINC000312253393 374273694 /nfs/dbraw/zinc/27/36/94/374273694.db2.gz XCAYVPZVDAPOPH-UHFFFAOYSA-N 1 0 276.380 3.023 10 0 CGAERO CCN1CC[C@@H]([NH2+][C@H](C)c2cccc(OC(F)F)c2)C1 ZINC000328393355 374366197 /nfs/dbraw/zinc/36/61/97/374366197.db2.gz YNJLTFFVSRVUCC-DGCLKSJQSA-N 1 0 284.350 3.033 10 0 CGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1(O)CCCC1 ZINC000087015791 541941859 /nfs/dbraw/zinc/94/18/59/541941859.db2.gz GHIVOJORCMRSET-QLFBSQMISA-N 1 0 253.430 3.342 10 0 CGAERO C[C@H](c1ccccc1)[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183817263 374459238 /nfs/dbraw/zinc/45/92/38/374459238.db2.gz ZPTKEDYEWVOYJU-MRXNPFEDSA-N 1 0 281.403 3.355 10 0 CGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc2[nH]ccc21 ZINC000184056704 374488130 /nfs/dbraw/zinc/48/81/30/374488130.db2.gz JRCBNSLERKBUOZ-HZPDHXFCSA-N 1 0 283.419 3.227 10 0 CGAERO Cc1cncc([C@@H](C)[NH2+]CC[C@H]2c3ccccc3NC2=O)c1 ZINC000184395552 374519980 /nfs/dbraw/zinc/51/99/80/374519980.db2.gz QVYNKGMIQUDSKO-CJNGLKHVSA-N 1 0 295.386 3.167 10 0 CGAERO Cc1cccc(C(C)C)c1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089449273 541951826 /nfs/dbraw/zinc/95/18/26/541951826.db2.gz LORAESYCTKRCGS-DZGCQCFKSA-N 1 0 274.408 3.432 10 0 CGAERO Cc1csc([C@@H]2CCC[N@@H+]([C@@H](C)c3cnccn3)C2)n1 ZINC000184494121 374531313 /nfs/dbraw/zinc/53/13/13/374531313.db2.gz BHHCTXIKSMWAIV-QWHCGFSZSA-N 1 0 288.420 3.182 10 0 CGAERO CCC(CC)[NH2+][C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184512548 374533053 /nfs/dbraw/zinc/53/30/53/374533053.db2.gz DLUCQRLPTJMCRN-KRWDZBQOSA-N 1 0 292.398 3.397 10 0 CGAERO Cc1cccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1C ZINC000093585509 541983032 /nfs/dbraw/zinc/98/30/32/541983032.db2.gz SVYCIQLORBWYPJ-MSOLQXFVSA-N 1 0 273.420 3.430 10 0 CGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccs2)C12CCOCC2 ZINC000186204538 374814234 /nfs/dbraw/zinc/81/42/34/374814234.db2.gz VNNCJXLBCZFGQT-AEGPPILISA-N 1 0 295.448 3.373 10 0 CGAERO C[C@@H](c1cc(F)ccc1F)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261572356 296224801 /nfs/dbraw/zinc/22/48/01/296224801.db2.gz TXHWYTVYOSQLKY-HZMBPMFUSA-N 1 0 268.351 3.085 10 0 CGAERO COCCC1(C[N@@H+]2CC[C@]3(CCOC3)C2)CCCCC1 ZINC000187420201 375018301 /nfs/dbraw/zinc/01/83/01/375018301.db2.gz QESZVVLMGPPVDW-KRWDZBQOSA-N 1 0 281.440 3.086 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CCC12CCCC2 ZINC000474061377 375075683 /nfs/dbraw/zinc/07/56/83/375075683.db2.gz AKYCTYFRYLXQHH-CABCVRRESA-N 1 0 252.446 3.275 10 0 CGAERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]Cc1cc(C(N)=O)co1 ZINC000187705468 375077337 /nfs/dbraw/zinc/07/73/37/375077337.db2.gz DIBLCVZDKOCMLW-UONOGXRCSA-N 1 0 278.396 3.073 10 0 CGAERO CC(C)Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)cc1 ZINC000094896142 541990167 /nfs/dbraw/zinc/99/01/67/541990167.db2.gz RRUOXHUGDNARCE-IAGOWNOFSA-N 1 0 261.409 3.278 10 0 CGAERO COC(=O)C1(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000188669980 375250062 /nfs/dbraw/zinc/25/00/62/375250062.db2.gz CWIJOZOWXXJBEP-HUUCEWRRSA-N 1 0 291.366 3.005 10 0 CGAERO CCC[NH+]1CCC(N[C@H]2CCOc3c(C)cccc32)CC1 ZINC000189465267 375392550 /nfs/dbraw/zinc/39/25/50/375392550.db2.gz XBHHYBOSCDUIKZ-KRWDZBQOSA-N 1 0 288.435 3.283 10 0 CGAERO COCCC1(C[NH2+]C[C@H]2CCCC[C@H]2O)CCCCC1 ZINC000189238637 375346701 /nfs/dbraw/zinc/34/67/01/375346701.db2.gz RACGUGXFJJXKLS-HZPDHXFCSA-N 1 0 283.456 3.114 10 0 CGAERO Cn1cc(C[N@@H+]2CCC[C@H](c3cc(F)ccc3F)C2)cn1 ZINC000191673497 375650914 /nfs/dbraw/zinc/65/09/14/375650914.db2.gz GOOMECNWOCFPKQ-ZDUSSCGKSA-N 1 0 291.345 3.078 10 0 CGAERO CCn1cc([C@@H]2C[N@H+](CC3CCCCCC3)CCO2)cn1 ZINC000191696419 375653246 /nfs/dbraw/zinc/65/32/46/375653246.db2.gz WVLOJOQGQYUNGG-KRWDZBQOSA-N 1 0 291.439 3.247 10 0 CGAERO CC1(C)CC([NH2+][C@H]2CCC[C@H](O)C2)CC(C)(C)C1 ZINC000124765736 542033863 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O[C@H]1CCCC[C@H]1C[NH2+]Cc1ccccc1C(F)(F)F ZINC000077204404 285362274 /nfs/dbraw/zinc/36/22/74/285362274.db2.gz NTNCJFZFRPAWJS-JSGCOSHPSA-N 1 0 287.325 3.346 10 0 CGAERO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCc3ccccc3C2)C[C@H](C)O1 ZINC000282353016 195584152 /nfs/dbraw/zinc/58/41/52/195584152.db2.gz VQSNAYMEVRZIJN-BASYENTBSA-N 1 0 273.420 3.337 10 0 CGAERO Cc1cc(C[NH2+][C@@H]2CCOc3ccccc32)ccn1 ZINC000391127038 542611946 /nfs/dbraw/zinc/61/19/46/542611946.db2.gz DWTMBWSQWLJQQB-OAHLLOKOSA-N 1 0 254.333 3.003 10 0 CGAERO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H](C)C2CCCC2)c1 ZINC000070306479 392181100 /nfs/dbraw/zinc/18/11/00/392181100.db2.gz YOGUOAFBIXUAIE-DOTOQJQBSA-N 1 0 291.435 3.211 10 0 CGAERO Cc1cc(C)cc(OC[C@@H](O)C[NH2+][C@H](C)C2CCCC2)c1 ZINC000070306526 392181127 /nfs/dbraw/zinc/18/11/27/392181127.db2.gz DFVOQQQWARKZEP-WBVHZDCISA-N 1 0 291.435 3.211 10 0 CGAERO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@H](C)CCOC ZINC000090036566 392228526 /nfs/dbraw/zinc/22/85/26/392228526.db2.gz QCHZTWPODGRGBQ-CHWSQXEVSA-N 1 0 275.396 3.132 10 0 CGAERO CC(C)CCOCC[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000127787771 392448274 /nfs/dbraw/zinc/44/82/74/392448274.db2.gz AZXGQXIOQFENLT-CVEARBPZSA-N 1 0 279.428 3.019 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1cncc(F)c1 ZINC000178276988 392676321 /nfs/dbraw/zinc/67/63/21/392676321.db2.gz GDNYLUITDHFHCU-XHDPSFHLSA-N 1 0 272.323 3.395 10 0 CGAERO F[C@H]1CC[C@@H]([NH2+]Cc2cc(Br)co2)C1 ZINC000306728300 392643774 /nfs/dbraw/zinc/64/37/74/392643774.db2.gz NLFOSRSXKADNTL-DTWKUNHWSA-N 1 0 262.122 3.022 10 0 CGAERO C[C@@H]([NH3+])[C@@](C)(F)c1sccc1Br ZINC000307159150 392647819 /nfs/dbraw/zinc/64/78/19/392647819.db2.gz JAODQWFPNZRTFM-SVGQVSJJSA-N 1 0 252.152 3.043 10 0 CGAERO Cc1cnn(CC[NH2+][C@H]2c3cc(C)ccc3C[C@@H]2C)c1 ZINC000180801391 392713878 /nfs/dbraw/zinc/71/38/78/392713878.db2.gz YHGCTPVOGCTTPY-WMLDXEAASA-N 1 0 269.392 3.023 10 0 CGAERO CCc1ccc(CC)c(NC(=O)C2CCC([NH3+])CC2)c1 ZINC000648099597 392915228 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ZINC000083394244 135018141 /nfs/dbraw/zinc/01/81/41/135018141.db2.gz KYZBEKSAFPNALE-FZMZJTMJSA-N 1 0 252.789 3.163 10 0 CGAERO CC[C@H]1CN(c2cccc3ccccc32)[C@H](C)C[NH2+]1 ZINC000083399817 135019411 /nfs/dbraw/zinc/01/94/11/135019411.db2.gz ZDPWCUOMOGHPKH-HIFRSBDPSA-N 1 0 254.377 3.417 10 0 CGAERO CC[C@H]1C[NH2+][C@@H](C)CN1c1ccc(Cl)cc1F ZINC000083418386 135020427 /nfs/dbraw/zinc/02/04/27/135020427.db2.gz FQDOGTNOPBTKFK-ONGXEEELSA-N 1 0 256.752 3.056 10 0 CGAERO CC[C@@H]1CN(c2ccc(F)cc2Cl)[C@H](C)C[NH2+]1 ZINC000083418309 135020468 /nfs/dbraw/zinc/02/04/68/135020468.db2.gz QFNBFTKHDQCIEV-MWLCHTKSSA-N 1 0 256.752 3.056 10 0 CGAERO Cc1ccc(N2C[C@H](C(C)C)[NH2+]C[C@@H]2C(C)C)cc1 ZINC000083441855 135021991 /nfs/dbraw/zinc/02/19/91/135021991.db2.gz VCGDUQONGPWMEQ-IAGOWNOFSA-N 1 0 260.425 3.454 10 0 CGAERO CC(C)[C@@H]1CN(c2ccc(F)cc2)[C@H](C(C)C)C[NH2+]1 ZINC000083479897 135023871 /nfs/dbraw/zinc/02/38/71/135023871.db2.gz PKURGCXSOPUYFE-HOTGVXAUSA-N 1 0 264.388 3.285 10 0 CGAERO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1c1cc(C)ccc1F ZINC000083479855 135023880 /nfs/dbraw/zinc/02/38/80/135023880.db2.gz FLNRHNVZOHJGHS-HIFRSBDPSA-N 1 0 264.388 3.347 10 0 CGAERO CC[C@@H]1CN(c2c(F)cccc2F)[C@H](C(C)C)C[NH2+]1 ZINC000083510489 135025213 /nfs/dbraw/zinc/02/52/13/135025213.db2.gz SJRBFCXCIUYNLK-RISCZKNCSA-N 1 0 268.351 3.178 10 0 CGAERO CC(C)[C@@H]1CN(c2cccc(Cl)c2F)[C@H](C)C[NH2+]1 ZINC000083518089 135026720 /nfs/dbraw/zinc/02/67/20/135026720.db2.gz JTKXWLYEIALLKE-PWSUYJOCSA-N 1 0 270.779 3.302 10 0 CGAERO COc1cccc(N2C[C@H](C(C)C)[NH2+]C[C@@H]2C(C)C)c1 ZINC000083550011 135029714 /nfs/dbraw/zinc/02/97/14/135029714.db2.gz JAJIWRDPJSTESI-IAGOWNOFSA-N 1 0 276.424 3.154 10 0 CGAERO C[C@@H]([NH2+]C[C@H](O)C(Cl)(Cl)Cl)c1ccccc1 ZINC000669383802 543103850 /nfs/dbraw/zinc/10/38/50/543103850.db2.gz YJHQUWWFZKSKRB-SCZZXKLOSA-N 1 0 282.598 3.068 10 0 CGAERO CC1CC2(C1)[C@H]([NH3+])[C@@H]1CCCCN(C(=O)OC(C)(C)C)[C@@H]12 ZINC000669383851 543104140 /nfs/dbraw/zinc/10/41/40/543104140.db2.gz LNWKWFUBSBHONW-QGJIUJSSSA-N 1 0 294.439 3.149 10 0 CGAERO O[C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000250163619 296563124 /nfs/dbraw/zinc/56/31/24/296563124.db2.gz IVZUWYHKTOTASL-BFHYXJOUSA-N 1 0 265.422 3.409 10 0 CGAERO Cc1cc(C[NH2+]C[C@@H]2CCCc3ccccc32)on1 ZINC000104325269 397650377 /nfs/dbraw/zinc/65/03/77/397650377.db2.gz VMNZRJVGVRMAGP-AWEZNQCLSA-N 1 0 256.349 3.193 10 0 CGAERO C[C@@H]([NH2+]Cc1cc[nH]n1)C12CC3CC(CC(C3)C1)C2 ZINC000036899967 397607221 /nfs/dbraw/zinc/60/72/21/397607221.db2.gz AVXQGSVOOIPKRH-UWJCENJNSA-N 1 0 259.397 3.104 10 0 CGAERO [NH3+]C1CCC(c2nc(Cc3ccccc3Cl)no2)CC1 ZINC000044265681 397618842 /nfs/dbraw/zinc/61/88/42/397618842.db2.gz SXKOPCHSOAJAQB-UHFFFAOYSA-N 1 0 291.782 3.299 10 0 CGAERO Cc1cc([C@H]2[NH2+]CC2(C)C)ccc1Br ZINC000306615610 397678588 /nfs/dbraw/zinc/67/85/88/397678588.db2.gz NUSSOPSDJGJMEI-LLVKDONJSA-N 1 0 254.171 3.428 10 0 CGAERO C[C@H]1C[C@H](C)C[NH+](CCOc2cncc(Cl)c2)C1 ZINC000675076259 543313529 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C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@H](C)C1CCCCC1 ZINC000261719062 286991313 /nfs/dbraw/zinc/99/13/13/286991313.db2.gz JXFKCXKOJLJYSH-SJXGUFTOSA-N 1 0 280.456 3.083 10 0 CGAERO CC(C)[C@H](C)C[NH2+][C@@H]1CCN(CCc2ccccc2)C1 ZINC000081046583 287070138 /nfs/dbraw/zinc/07/01/38/287070138.db2.gz YWXULKYAYQCTRA-SJLPKXTDSA-N 1 0 274.452 3.185 10 0 CGAERO Cc1ccc(OC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1C ZINC000076686216 165116930 /nfs/dbraw/zinc/11/69/30/165116930.db2.gz CCAHXMRTVLYPTB-SFHVURJKSA-N 1 0 289.419 3.326 10 0 CGAERO COc1ccc([C@@H]2C[C@H](C)[N@H+](Cc3ccon3)C2)cc1 ZINC000077318265 165121147 /nfs/dbraw/zinc/12/11/47/165121147.db2.gz QKMAKQXQZGZOBX-GXTWGEPZSA-N 1 0 272.348 3.061 10 0 CGAERO OC1CC(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000091415792 287107827 /nfs/dbraw/zinc/10/78/27/287107827.db2.gz MSLOZRBWFZEEKD-XWFMALBVSA-N 1 0 265.784 3.152 10 0 CGAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000094827140 165392614 /nfs/dbraw/zinc/39/26/14/165392614.db2.gz HVOLCOPHODHYFN-XHDPSFHLSA-N 1 0 268.351 3.100 10 0 CGAERO CC(C)CC1(CNC(=O)[C@@H]([NH3+])c2ccccc2)CCCC1 ZINC000094875857 165395472 /nfs/dbraw/zinc/39/54/72/165395472.db2.gz HDXJFQZOIJLPOQ-INIZCTEOSA-N 1 0 288.435 3.409 10 0 CGAERO CCC(CC)N(CC(C)C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000093310352 287115577 /nfs/dbraw/zinc/11/55/77/287115577.db2.gz AKYJKSBCPDFAJK-CQSZACIVSA-N 1 0 268.445 3.049 10 0 CGAERO CC(C)[C@@H](C)[NH2+]C1CCN(c2cccs2)CC1 ZINC000168418714 165500427 /nfs/dbraw/zinc/50/04/27/165500427.db2.gz VDUFJFKQEQQOBI-GFCCVEGCSA-N 1 0 252.427 3.351 10 0 CGAERO CN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000261674684 165825649 /nfs/dbraw/zinc/82/56/49/165825649.db2.gz GIAOAWREJOFTML-CZUORRHYSA-N 1 0 288.435 3.322 10 0 CGAERO c1c(CC[NH+]2CCCCC2)onc1-c1ccccc1 ZINC000002040202 169770474 /nfs/dbraw/zinc/77/04/74/169770474.db2.gz HAARZQOXENAXOY-UHFFFAOYSA-N 1 0 256.349 3.370 10 0 CGAERO COc1ccc([C@H](Oc2ccccc2)C2=[NH+]CCCN2)cc1 ZINC000006018375 170168383 /nfs/dbraw/zinc/16/83/83/170168383.db2.gz MZYHYIBCEPKOOT-KRWDZBQOSA-N 1 0 296.370 3.207 10 0 CGAERO [NH3+][C@H](c1cccnc1)c1ccc(Cl)c(Cl)c1 ZINC000008699689 170346283 /nfs/dbraw/zinc/34/62/83/170346283.db2.gz ZKFAFFPOBASSKD-LBPRGKRZSA-N 1 0 253.132 3.437 10 0 CGAERO CCOc1cccc(C[C@@H]([NH3+])Cc2cccs2)c1 ZINC000011599918 170425429 /nfs/dbraw/zinc/42/54/29/170425429.db2.gz USUCAJQJVDJOER-CYBMUJFWSA-N 1 0 261.390 3.259 10 0 CGAERO CC(C)COC[C@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000019407813 170787562 /nfs/dbraw/zinc/78/75/62/170787562.db2.gz NQHWFMIXWMYBLL-DQGBIZLVSA-N 1 0 251.414 3.203 10 0 CGAERO NC(=[NH2+])c1cccc(COc2cccc(Cl)c2)c1 ZINC000019431017 170797243 /nfs/dbraw/zinc/79/72/43/170797243.db2.gz QEJFBERJYHAKON-UHFFFAOYSA-N 1 0 260.724 3.203 10 0 CGAERO Cc1cccc(C(C)C)c1NC(=O)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000019433931 170798940 /nfs/dbraw/zinc/79/89/40/170798940.db2.gz UKNQNWZLSSZIHV-ZIAGYGMSSA-N 1 0 274.408 3.445 10 0 CGAERO C[C@@H](OCc1ccc(C(N)=[NH2+])cc1F)c1ccccc1 ZINC000019479611 170809312 /nfs/dbraw/zinc/80/93/12/170809312.db2.gz WLRKOWBXLJBVHI-LLVKDONJSA-N 1 0 272.323 3.388 10 0 CGAERO [NH3+]C[C@H](Oc1cccc2cccnc21)c1ccccc1 ZINC000019670893 170835300 /nfs/dbraw/zinc/83/53/00/170835300.db2.gz MMQTXXIPEIOVNV-INIZCTEOSA-N 1 0 264.328 3.314 10 0 CGAERO CCN(C(=O)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)C1CCCCC1 ZINC000019809904 170878869 /nfs/dbraw/zinc/87/88/69/170878869.db2.gz AGBFBUSUAHBZCT-VNQPRFMTSA-N 1 0 278.440 3.088 10 0 CGAERO COc1ccc(OC)c([C@@H]([NH3+])c2cc(F)cc(F)c2)c1 ZINC000019967616 170949294 /nfs/dbraw/zinc/94/92/94/170949294.db2.gz CEAPKUKGZBKJBU-HNNXBMFYSA-N 1 0 279.286 3.030 10 0 CGAERO C[C@@H]1C[C@H](C)CN([C@@H](C[NH3+])c2c(F)cccc2Cl)C1 ZINC000020081901 170986831 /nfs/dbraw/zinc/98/68/31/170986831.db2.gz NAUFHXXDVZEKFA-WDMOLILDSA-N 1 0 284.806 3.457 10 0 CGAERO Cc1ccc(NC(=O)C[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000020210070 171073906 /nfs/dbraw/zinc/07/39/06/171073906.db2.gz LFRNFPXZORDNLH-UHFFFAOYSA-N 1 0 288.778 3.377 10 0 CGAERO c1ccc(-c2ccc(OC[C@@H]3CCC[NH2+]3)cc2)cc1 ZINC000020221632 171082847 /nfs/dbraw/zinc/08/28/47/171082847.db2.gz YLNXBGCIPHRVGV-INIZCTEOSA-N 1 0 253.345 3.484 10 0 CGAERO CN(Cc1ccc(Cl)cc1)[C@@H](C[NH3+])c1ccco1 ZINC000020225256 171087103 /nfs/dbraw/zinc/08/71/03/171087103.db2.gz RGWINRJNODSUCL-ZDUSSCGKSA-N 1 0 264.756 3.065 10 0 CGAERO COc1cccc(CN(C)[C@@H](C[NH3+])c2ccc(C)cc2)c1 ZINC000020225560 171088571 /nfs/dbraw/zinc/08/85/71/171088571.db2.gz HELWYQDCNFVERL-SFHVURJKSA-N 1 0 284.403 3.135 10 0 CGAERO [NH3+][C@@H]1c2ccccc2CC[C@@H]1Oc1ccc(F)cc1 ZINC000020262598 171119598 /nfs/dbraw/zinc/11/95/98/171119598.db2.gz RWMWXPONCANZIN-JKSUJKDBSA-N 1 0 257.308 3.219 10 0 CGAERO NC(=S)c1ccccc1C[NH+]1CCCCCCC1 ZINC000020265929 171122293 /nfs/dbraw/zinc/12/22/93/171122293.db2.gz ALOPUWKHZIIGTN-UHFFFAOYSA-N 1 0 262.422 3.087 10 0 CGAERO CCC(CC)NC(=O)[C@H](C)Oc1ccc([C@@H]([NH3+])CC)cc1 ZINC000020419542 171184198 /nfs/dbraw/zinc/18/41/98/171184198.db2.gz YNRMUYQQHCLVFU-LRDDRELGSA-N 1 0 292.423 3.169 10 0 CGAERO [NH3+]C1(C(=O)Nc2cccc(Cl)c2F)CCCCC1 ZINC000020472566 171215586 /nfs/dbraw/zinc/21/55/86/171215586.db2.gz HAFQKZVMQQYXKB-UHFFFAOYSA-N 1 0 270.735 3.079 10 0 CGAERO CC(C)c1cccc(NC(=O)[C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000020475677 171219927 /nfs/dbraw/zinc/21/99/27/171219927.db2.gz SHHHRPFVJSBLSH-JSGCOSHPSA-N 1 0 260.381 3.137 10 0 CGAERO CCC[NH+]1CCC(Nc2c(F)cccc2F)CC1 ZINC000020476305 171220362 /nfs/dbraw/zinc/22/03/62/171220362.db2.gz COMFOJBXYXAULR-UHFFFAOYSA-N 1 0 254.324 3.251 10 0 CGAERO CC[C@H](C)[C@H](c1ccccc1)[C@@H]([NH3+])c1cnn(C)c1 ZINC000020476783 171220778 /nfs/dbraw/zinc/22/07/78/171220778.db2.gz QOLFGHZJIFYOMG-MAZHCROVSA-N 1 0 257.381 3.250 10 0 CGAERO CCC(C)(C)O[C@H](C)[C@H]([NH3+])c1ccc(OC)cc1 ZINC000020511963 171230968 /nfs/dbraw/zinc/23/09/68/171230968.db2.gz ZYFBAUOPAFRBMY-RISCZKNCSA-N 1 0 251.370 3.289 10 0 CGAERO CCN(CC)CC[NH2+]Cc1cn(CC)c2ccccc12 ZINC000020968448 171282854 /nfs/dbraw/zinc/28/28/54/171282854.db2.gz HWCLSUXCKFQTST-UHFFFAOYSA-N 1 0 273.424 3.093 10 0 CGAERO C[C@H]1CC(C)(C)C[C@@](CN)([NH+]2CCCCCC2)C1 ZINC000021517735 171314110 /nfs/dbraw/zinc/31/41/10/171314110.db2.gz IAHWNDIHHORADU-HOCLYGCPSA-N 1 0 252.446 3.406 10 0 CGAERO [NH3+]Cc1ccc(Oc2ccc3ccccc3n2)cc1 ZINC000022144131 171355746 /nfs/dbraw/zinc/35/57/46/171355746.db2.gz PJGWDMLJESVVBT-UHFFFAOYSA-N 1 0 250.301 3.486 10 0 CGAERO C[C@@H](C(=O)Nc1ccc(Cl)cc1N)[NH+]1CCCCCC1 ZINC000022155173 171361751 /nfs/dbraw/zinc/36/17/51/171361751.db2.gz VWLSTKBWTVCOOJ-NSHDSACASA-N 1 0 295.814 3.125 10 0 CGAERO Cc1ccsc1[C@H](CN)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000022170340 171367597 /nfs/dbraw/zinc/36/75/97/171367597.db2.gz HIDAEQAKGHEAGL-GVXVVHGQSA-N 1 0 252.427 3.034 10 0 CGAERO CCOc1ccccc1[C@@H](C[NH3+])N1CCc2ccccc21 ZINC000022210391 171373105 /nfs/dbraw/zinc/37/31/05/171373105.db2.gz FDTADOIDYJGPBL-QGZVFWFLSA-N 1 0 282.387 3.148 10 0 CGAERO CN(c1ccccc1)[C@H](C[NH3+])c1c(F)cccc1F ZINC000022212391 171373836 /nfs/dbraw/zinc/37/38/36/171373836.db2.gz XTZRBOYHNLCZAL-CQSZACIVSA-N 1 0 262.303 3.101 10 0 CGAERO [NH3+]C[C@H](c1ccc2ccccc2c1)N1CCCCC1 ZINC000022218799 171376945 /nfs/dbraw/zinc/37/69/45/171376945.db2.gz UEHDFGODAVPFEN-QGZVFWFLSA-N 1 0 254.377 3.326 10 0 CGAERO CCN(c1ccccc1)[C@@H](C[NH3+])c1cccc(OC)c1 ZINC000022220796 171377880 /nfs/dbraw/zinc/37/78/80/171377880.db2.gz DLDLNTUDTMMZER-KRWDZBQOSA-N 1 0 270.376 3.222 10 0 CGAERO Cc1ccsc1[C@@H](CN)[N@@H+](C)C1CCCCC1 ZINC000022221903 171378206 /nfs/dbraw/zinc/37/82/06/171378206.db2.gz GZEIKSRPTHTDRX-CYBMUJFWSA-N 1 0 252.427 3.321 10 0 CGAERO CCN(c1ccccc1)[C@@H](C[NH3+])c1c(F)cccc1F ZINC000022222437 171378645 /nfs/dbraw/zinc/37/86/45/171378645.db2.gz SUDHWPQPYPURHY-HNNXBMFYSA-N 1 0 276.330 3.491 10 0 CGAERO Cc1cc(C)n(C[C@@H]([NH3+])C23CC4CC(CC(C4)C2)C3)n1 ZINC000023071592 171411290 /nfs/dbraw/zinc/41/12/90/171411290.db2.gz JBOIFDQKLSBFIE-YYUOFMGYSA-N 1 0 273.424 3.044 10 0 CGAERO Cc1cc(C)c(C)c(OC[C@@H](O)C[NH2+]C2CCCCC2)c1 ZINC000026780546 171499424 /nfs/dbraw/zinc/49/94/24/171499424.db2.gz TUDNQJOLOSWIQP-KRWDZBQOSA-N 1 0 291.435 3.274 10 0 CGAERO NC(=S)CC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000031945553 171667574 /nfs/dbraw/zinc/66/75/74/171667574.db2.gz WAFCEDSXYWAOKY-UHFFFAOYSA-N 1 0 284.428 3.365 10 0 CGAERO COc1ccc(OCC[C@H]([NH3+])C2CCCCC2)cc1 ZINC000032113263 171706511 /nfs/dbraw/zinc/70/65/11/171706511.db2.gz VHFNOTKGDFMYPX-INIZCTEOSA-N 1 0 263.381 3.372 10 0 CGAERO COC(=O)[C@H](C)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000034573218 171844766 /nfs/dbraw/zinc/84/47/66/171844766.db2.gz ZNPBLHGIRSYYGK-CQSZACIVSA-N 1 0 283.371 3.175 10 0 CGAERO CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000035223064 172067561 /nfs/dbraw/zinc/06/75/61/172067561.db2.gz TYYQPLRWNYFISO-LSDHHAIUSA-N 1 0 276.424 3.211 10 0 CGAERO CCN(CC)C(=O)[C@H](C)[NH2+][C@@H](c1cccs1)C(C)C ZINC000035224711 172069451 /nfs/dbraw/zinc/06/94/51/172069451.db2.gz ZDBGAOPTDXIYTJ-GXTWGEPZSA-N 1 0 282.453 3.292 10 0 CGAERO FC(F)(F)[C@H]1CCCC[C@H]1[NH2+]Cc1ccccn1 ZINC000035258156 172089542 /nfs/dbraw/zinc/08/95/42/172089542.db2.gz SVHQAENCRSINRP-NWDGAFQWSA-N 1 0 258.287 3.292 10 0 CGAERO COc1ccc([C@H]([NH3+])c2ccsc2)cc1Cl ZINC000035381579 172164524 /nfs/dbraw/zinc/16/45/24/172164524.db2.gz FNOUDIFKUBIKBM-LBPRGKRZSA-N 1 0 253.754 3.458 10 0 CGAERO C[NH2+][C@H](c1ccc(C)cc1)[C@H]1Cc2ccccc2O1 ZINC000035466214 172213743 /nfs/dbraw/zinc/21/37/43/172213743.db2.gz HFMLMCSBQKHOBS-IAGOWNOFSA-N 1 0 253.345 3.259 10 0 CGAERO C[NH2+][C@@H](CC(C)(C)C)c1cc(OC)ccc1OC ZINC000035466713 172214387 /nfs/dbraw/zinc/21/43/87/172214387.db2.gz FLKLOFRQJJGJJX-ZDUSSCGKSA-N 1 0 251.370 3.401 10 0 CGAERO C[NH2+][C@@H](c1ccsc1)c1cc(OC)ccc1OC ZINC000035466597 172214701 /nfs/dbraw/zinc/21/47/01/172214701.db2.gz QCICUJCFJCUJJX-AWEZNQCLSA-N 1 0 263.362 3.074 10 0 CGAERO C[NH2+][C@@H](c1ccsc1)c1ccc(CCOC)cc1 ZINC000035467402 172216315 /nfs/dbraw/zinc/21/63/15/172216315.db2.gz UWKLNGAOXWSCLQ-OAHLLOKOSA-N 1 0 261.390 3.246 10 0 CGAERO C[NH2+][C@H](c1cc2c(cc1Cl)OCCO2)C1CCC1 ZINC000035501413 172235901 /nfs/dbraw/zinc/23/59/01/172235901.db2.gz ZESKQWROYRHZSW-AWEZNQCLSA-N 1 0 267.756 3.172 10 0 CGAERO C[NH2+][C@@H](CC(C)C)c1cc2c(cc1Cl)NC(=O)C2 ZINC000035507299 172240172 /nfs/dbraw/zinc/24/01/72/172240172.db2.gz DKWNKKWTHSNALR-ZDUSSCGKSA-N 1 0 266.772 3.141 10 0 CGAERO C[NH2+][C@@H](c1ccc(C)cc1)c1ccc(OC)c(F)c1 ZINC000035508058 172241006 /nfs/dbraw/zinc/24/10/06/172241006.db2.gz LLEOYWXZEJVISO-INIZCTEOSA-N 1 0 259.324 3.452 10 0 CGAERO CC[NH2+][C@@H](c1cc(OC)ccc1OC)[C@H](C)CC ZINC000035541453 172248776 /nfs/dbraw/zinc/24/87/76/172248776.db2.gz LJFGGTWJAVGIMG-IAQYHMDHSA-N 1 0 251.370 3.401 10 0 CGAERO CC[NH2+][C@@H](CC(F)(F)F)c1ccc2c(c1)CCO2 ZINC000035542486 172250143 /nfs/dbraw/zinc/25/01/43/172250143.db2.gz JOSWTVMNSBTSHG-NSHDSACASA-N 1 0 259.271 3.225 10 0 CGAERO CC[NH2+][C@H](c1cccs1)[C@H]1COc2ccccc2O1 ZINC000035545490 172253431 /nfs/dbraw/zinc/25/34/31/172253431.db2.gz PABBKMUSNBYXAH-HIFRSBDPSA-N 1 0 275.373 3.239 10 0 CGAERO CC[NH2+][C@H](c1cnn(C)c1)c1cc(Cl)ccc1Cl ZINC000035556216 172262677 /nfs/dbraw/zinc/26/26/77/172262677.db2.gz QLXTWSPBUTZNLC-CYBMUJFWSA-N 1 0 284.190 3.426 10 0 CGAERO CC[NH2+][C@@H](Cc1ncc[nH]1)C[C@H](C)CC(C)(C)C ZINC000035570092 172265405 /nfs/dbraw/zinc/26/54/05/172265405.db2.gz CTBDPOQIXQDKGR-QWHCGFSZSA-N 1 0 251.418 3.393 10 0 CGAERO CCC[NH2+][C@H](Cc1ncc[nH]1)c1c(F)cccc1Cl ZINC000035586656 172286126 /nfs/dbraw/zinc/28/61/26/172286126.db2.gz NPQDLEAZCFWKAG-GFCCVEGCSA-N 1 0 281.762 3.486 10 0 CGAERO C[NH2+][C@@H]1CCOc2c(Br)cc(Cl)cc21 ZINC000035655112 172331286 /nfs/dbraw/zinc/33/12/86/172331286.db2.gz XUYZRCTXPIMNTH-SECBINFHSA-N 1 0 276.561 3.146 10 0 CGAERO Cc1ccc(CN(C)C2(C[NH3+])CCCCCC2)o1 ZINC000035699564 172368516 /nfs/dbraw/zinc/36/85/16/172368516.db2.gz RGYIFTVHSOLPCK-UHFFFAOYSA-N 1 0 250.386 3.072 10 0 CGAERO CCCCCC[C@H](C[NH3+])N(C)Cc1ccsc1 ZINC000035718994 172372726 /nfs/dbraw/zinc/37/27/26/172372726.db2.gz BYRBOWCHWHLQJF-CQSZACIVSA-N 1 0 254.443 3.478 10 0 CGAERO CCC1CCC(C[NH3+])(N(C)Cc2ccsc2)CC1 ZINC000035719044 172373139 /nfs/dbraw/zinc/37/31/39/172373139.db2.gz XPDXEKMFSYJHTA-UHFFFAOYSA-N 1 0 266.454 3.478 10 0 CGAERO [NH3+]Cc1ccc(OCCSc2ccccc2)cc1 ZINC000035722568 172378359 /nfs/dbraw/zinc/37/83/59/172378359.db2.gz IITJUJGDSOQZEP-UHFFFAOYSA-N 1 0 259.374 3.316 10 0 CGAERO Cc1csc(S[C@@H]2CCCCC[C@@H]2C[NH3+])n1 ZINC000035724656 172379929 /nfs/dbraw/zinc/37/99/29/172379929.db2.gz GDZYRSZEPJHTHW-GHMZBOCLSA-N 1 0 256.440 3.451 10 0 CGAERO NNc1[nH+]ccc2cc(OCc3ccccc3)ccc21 ZINC000036258103 172550658 /nfs/dbraw/zinc/55/06/58/172550658.db2.gz JEWNJLYBNJAAKM-UHFFFAOYSA-N 1 0 265.316 3.099 10 0 CGAERO CC[NH2+]Cc1cccc(NC(=O)c2cc(F)ccc2F)c1 ZINC000036281225 172571801 /nfs/dbraw/zinc/57/18/01/172571801.db2.gz XSTTVVRVFZWUMO-UHFFFAOYSA-N 1 0 290.313 3.327 10 0 CGAERO O[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C(F)(F)F)C1 ZINC000037164364 172999309 /nfs/dbraw/zinc/99/93/09/172999309.db2.gz AMCBBOIMOUZAKG-NWDGAFQWSA-N 1 0 273.298 3.099 10 0 CGAERO COC(=O)c1ccccc1C[NH2+][C@@H]1CCCC[C@H]1C ZINC000037211371 173033082 /nfs/dbraw/zinc/03/30/82/173033082.db2.gz LTEFMTPBYPPOIT-IUODEOHRSA-N 1 0 261.365 3.142 10 0 CGAERO CC(C)C[C@@H](C)[NH2+]CC(=O)Nc1cccc(Cl)c1 ZINC000037264886 173073981 /nfs/dbraw/zinc/07/39/81/173073981.db2.gz VXPBMYYBROFYSP-LLVKDONJSA-N 1 0 268.788 3.303 10 0 CGAERO CCCC[C@@H](CC)C(=O)N(CCC[NH3+])C1CCCC1 ZINC000037299086 173103212 /nfs/dbraw/zinc/10/32/12/173103212.db2.gz PTOPZDSTNPLXQR-CQSZACIVSA-N 1 0 268.445 3.323 10 0 CGAERO [NH3+]C1(Cc2ccccc2Br)CCCC1 ZINC000037463442 173225521 /nfs/dbraw/zinc/22/55/21/173225521.db2.gz IEHBFRMHUJWEII-UHFFFAOYSA-N 1 0 254.171 3.263 10 0 CGAERO CC(C)C[C@H]([NH3+])Cc1cccc(Br)c1 ZINC000037466835 173226937 /nfs/dbraw/zinc/22/69/37/173226937.db2.gz BPBXKDZBPPVJQR-LBPRGKRZSA-N 1 0 256.187 3.365 10 0 CGAERO COc1ccccc1[C@@](C)([NH3+])Cc1ccc(F)cc1 ZINC000037531531 173253527 /nfs/dbraw/zinc/25/35/27/173253527.db2.gz SUFQMYNUPXQGGP-INIZCTEOSA-N 1 0 259.324 3.251 10 0 CGAERO CCC[NH2+][C@@H](C[C@H]1CCCO1)c1ccc(F)cc1 ZINC000037535267 173254240 /nfs/dbraw/zinc/25/42/40/173254240.db2.gz WBOFCSMTSQTSMW-CABCVRRESA-N 1 0 251.345 3.436 10 0 CGAERO [NH3+]CCc1cc(Cl)cc(Cl)c1OC[C@H]1CCCO1 ZINC000037722090 173640369 /nfs/dbraw/zinc/64/03/69/173640369.db2.gz QWAYKGYJDVMBIS-LLVKDONJSA-N 1 0 290.190 3.052 10 0 CGAERO Cc1ccccc1COc1ccc(C[C@H](C)[NH3+])cc1 ZINC000037723619 173642449 /nfs/dbraw/zinc/64/24/49/173642449.db2.gz KLILMIDJZWUGLZ-AWEZNQCLSA-N 1 0 255.361 3.464 10 0 CGAERO CCOc1cc(C[C@@H](C)[NH3+])ccc1O[C@H](C)CC ZINC000037726102 173644404 /nfs/dbraw/zinc/64/44/04/173644404.db2.gz AQDVSGDAMABLPW-VXGBXAGGSA-N 1 0 251.370 3.152 10 0 CGAERO CC[C@@H]([NH3+])Cc1ccc(OCC=C(C)C)c(OC)c1 ZINC000037727267 173646250 /nfs/dbraw/zinc/64/62/50/173646250.db2.gz XUVPIASRHXZWGK-CQSZACIVSA-N 1 0 263.381 3.320 10 0 CGAERO CCC[NH2+][C@H](C)c1ccccc1OCCCOC ZINC000037747491 173669542 /nfs/dbraw/zinc/66/95/42/173669542.db2.gz RCOLPHYRLOMMIP-CYBMUJFWSA-N 1 0 251.370 3.163 10 0 CGAERO COc1cccc([C@@H](C)[NH2+][C@@H]2CCCC[C@@H]2OC)c1 ZINC000037771484 173704251 /nfs/dbraw/zinc/70/42/51/173704251.db2.gz JJBGNXLVMZJEMA-WQVCFCJDSA-N 1 0 263.381 3.303 10 0 CGAERO [NH3+][C@H](c1cccc(F)c1)c1ccc2c(c1)CCCO2 ZINC000038057805 174068239 /nfs/dbraw/zinc/06/82/39/174068239.db2.gz HQDFJMRKKMQGMU-MRXNPFEDSA-N 1 0 257.308 3.199 10 0 CGAERO CC[NH2+][C@@H](CCOCC)Cc1ccccc1Cl ZINC000038130659 174131527 /nfs/dbraw/zinc/13/15/27/174131527.db2.gz YTNXTKFUBIWPDF-ZDUSSCGKSA-N 1 0 255.789 3.287 10 0 CGAERO COc1ccc(C[C@@H]([NH3+])c2sccc2C)cc1OC ZINC000038127841 174131683 /nfs/dbraw/zinc/13/16/83/174131683.db2.gz RPCOFQDBLKYFPP-GFCCVEGCSA-N 1 0 277.389 3.316 10 0 CGAERO CCCC[C@H]([NH3+])c1nc2ccccc2n1CCOCC ZINC000040163843 174196925 /nfs/dbraw/zinc/19/69/25/174196925.db2.gz SGMNWWWQTSQOSF-ZDUSSCGKSA-N 1 0 275.396 3.263 10 0 CGAERO C[NH2+][C@H](c1c[nH]c2ccccc21)c1ccc(OC)c(OC)c1 ZINC000040542097 174323133 /nfs/dbraw/zinc/32/31/33/174323133.db2.gz JPLRNGPEGRMJQS-SFHVURJKSA-N 1 0 296.370 3.494 10 0 CGAERO CCCCC[C@H](C)[NH2+][C@@H](C)C(=O)NCCC(C)C ZINC000042570350 174800170 /nfs/dbraw/zinc/80/01/70/174800170.db2.gz XNVABPGDXPVTOQ-KBPBESRZSA-N 1 0 256.434 3.096 10 0 CGAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)CN2CCCC2)s1 ZINC000042598443 174815976 /nfs/dbraw/zinc/81/59/76/174815976.db2.gz XVWATPQGOVQDGI-STQMWFEESA-N 1 0 266.454 3.445 10 0 CGAERO CCN(CC(F)(F)F)c1ccccc1[C@H](C)[NH2+]C ZINC000042768928 174870630 /nfs/dbraw/zinc/87/06/30/174870630.db2.gz PGEMURQXSZKQEQ-JTQLQIEISA-N 1 0 260.303 3.356 10 0 CGAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000042862260 174893579 /nfs/dbraw/zinc/89/35/79/174893579.db2.gz DFLJNUPMPDIBPF-MJBXVCDLSA-N 1 0 268.445 3.096 10 0 CGAERO C[C@@H]1CCCC[C@@H]1O[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000042916565 174916272 /nfs/dbraw/zinc/91/62/72/174916272.db2.gz OQHURKWYUXHSOG-UGFHNGPFSA-N 1 0 251.345 3.421 10 0 CGAERO CC[C@@H]([NH3+])[C@H](c1ccc(Cl)cc1)N1CCSCC1 ZINC000042944689 174919767 /nfs/dbraw/zinc/91/97/67/174919767.db2.gz URBSHPVPHTXJQL-KGLIPLIRSA-N 1 0 284.856 3.167 10 0 CGAERO CC[C@H]([NH3+])[C@H](OCCOC(C)C)c1ccccc1C ZINC000043039317 174952891 /nfs/dbraw/zinc/95/28/91/174952891.db2.gz VKDMQJXBHZQTSB-JKSUJKDBSA-N 1 0 265.397 3.215 10 0 CGAERO COc1ccccc1[C@@H](Sc1nnc(C)s1)[C@@H](C)[NH3+] ZINC000043101797 174967840 /nfs/dbraw/zinc/96/78/40/174967840.db2.gz RENZKFFJNOIERC-PELKAZGASA-N 1 0 295.433 3.036 10 0 CGAERO C[C@@H]([NH3+])[C@H](OCCOc1ccccc1)c1cccs1 ZINC000043109364 174973706 /nfs/dbraw/zinc/97/37/06/174973706.db2.gz LAZATNHLGXSZDW-DOMZBBRYSA-N 1 0 277.389 3.232 10 0 CGAERO CCN(Cc1ccccc1)C[C@@H]1[NH2+]CCc2ccccc21 ZINC000043596005 175076476 /nfs/dbraw/zinc/07/64/76/175076476.db2.gz JDPQESCHGYPGHF-IBGZPJMESA-N 1 0 280.415 3.396 10 0 CGAERO CCC[NH2+]Cc1ccc(OCCOCC)c(Cl)c1 ZINC000044422217 175174420 /nfs/dbraw/zinc/17/44/20/175174420.db2.gz SOJFVLIGYXCEPK-UHFFFAOYSA-N 1 0 271.788 3.255 10 0 CGAERO FC(F)(F)c1cnc(NC[C@@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000044493045 175180823 /nfs/dbraw/zinc/18/08/23/175180823.db2.gz QFSPTCDODODQCW-VIFPVBQESA-N 1 0 293.720 3.308 10 0 CGAERO C(=C/c1ccccc1)\C[NH2+]CCCOc1ccccn1 ZINC000045945429 175388178 /nfs/dbraw/zinc/38/81/78/175388178.db2.gz DMFGTDDOSYLSKP-UXBLZVDNSA-N 1 0 268.360 3.154 10 0 CGAERO Fc1ccccc1C[NH2+]CCc1nc2ccccc2[nH]1 ZINC000057353440 175594384 /nfs/dbraw/zinc/59/43/84/175594384.db2.gz XKJKRRYAFSBLRU-UHFFFAOYSA-N 1 0 269.323 3.034 10 0 CGAERO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](CO)c1ccccc1 ZINC000062999347 175680716 /nfs/dbraw/zinc/68/07/16/175680716.db2.gz VDKBEDXGGBHWSA-PBHICJAKSA-N 1 0 285.387 3.388 10 0 CGAERO CC[NH2+][C@H](C)c1csc(Cc2cccs2)n1 ZINC000070841503 176008369 /nfs/dbraw/zinc/00/83/69/176008369.db2.gz NUIIQGMEPMMPCZ-SECBINFHSA-N 1 0 252.408 3.466 10 0 CGAERO [NH3+]C[C@@H](Oc1cc(F)ccc1F)c1cccc(F)c1 ZINC000071167146 176049610 /nfs/dbraw/zinc/04/96/10/176049610.db2.gz KQFSCEUEAMOBAO-CQSZACIVSA-N 1 0 267.250 3.183 10 0 CGAERO CC[C@@H]1C[N@H+](CCCc2ccccc2)[C@H](C(C)C)CN1 ZINC000071343713 176130826 /nfs/dbraw/zinc/13/08/26/176130826.db2.gz KNAUXHUEIZMOJC-MSOLQXFVSA-N 1 0 274.452 3.328 10 0 CGAERO COc1cc2c(cc1OC)C1(CC1)C[NH2+][C@H]2c1ccccc1 ZINC000071494585 176191552 /nfs/dbraw/zinc/19/15/52/176191552.db2.gz ZHIPQDZGAAWYFK-SFHVURJKSA-N 1 0 295.382 3.428 10 0 CGAERO C[NH2+]CCc1nc(-c2ccc(CC(C)C)cc2)c[nH]1 ZINC000071582897 176208055 /nfs/dbraw/zinc/20/80/55/176208055.db2.gz WAMLWEOQPBVIJV-UHFFFAOYSA-N 1 0 257.381 3.037 10 0 CGAERO COc1c(C)cc([C@H](OCC[NH3+])C2CC2)c(C)c1C ZINC000071595966 176219351 /nfs/dbraw/zinc/21/93/51/176219351.db2.gz SWWXOSQNCJVOOE-MRXNPFEDSA-N 1 0 263.381 3.047 10 0 CGAERO C[NH2+]C[C@H](OC)c1cc(C)cc(C(C)(C)C)c1OC ZINC000071598085 176221556 /nfs/dbraw/zinc/22/15/56/176221556.db2.gz KGVHCHIOMRWUSI-AWEZNQCLSA-N 1 0 265.397 3.208 10 0 CGAERO CC[NH2+][C@H](C)[C@H](O)c1cc(Cl)c(OCC)cc1C ZINC000071611243 176231696 /nfs/dbraw/zinc/23/16/96/176231696.db2.gz KHHWYQUDBDBYON-YGRLFVJLSA-N 1 0 271.788 3.079 10 0 CGAERO CCOc1ccc([C@@H](O)[C@@H]([NH2+]C)C(C)C)cc1Cl ZINC000071611278 176231898 /nfs/dbraw/zinc/23/18/98/176231898.db2.gz MLDCIMIIQDCRPT-UONOGXRCSA-N 1 0 271.788 3.016 10 0 CGAERO COc1cc2c(cc1OC)C1(CC1)C[NH2+][C@@H]2C(C)(C)C ZINC000071616417 176234661 /nfs/dbraw/zinc/23/46/61/176234661.db2.gz KHPJQVOHGRYLTR-HNNXBMFYSA-N 1 0 275.392 3.426 10 0 CGAERO CC(C)[NH2+]C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000071624354 176235398 /nfs/dbraw/zinc/23/53/98/176235398.db2.gz PQMGBLLSRSXSMU-UHFFFAOYSA-N 1 0 280.415 3.458 10 0 CGAERO Brc1ccc(SC2CC[NH2+]CC2)s1 ZINC000071629042 176236287 /nfs/dbraw/zinc/23/62/87/176236287.db2.gz YLMAHBDJRGHSDA-UHFFFAOYSA-N 1 0 278.240 3.355 10 0 CGAERO [NH3+][C@H]1C[C@@H]1c1cccc(F)c1OCc1ccccc1 ZINC000072171812 176333264 /nfs/dbraw/zinc/33/32/64/176333264.db2.gz UQQFXBLESPXLHL-HIFRSBDPSA-N 1 0 257.308 3.219 10 0 CGAERO C[C@@H]1CCC[C@]1(C[NH3+])c1ccc(Br)cc1 ZINC000076398006 177015184 /nfs/dbraw/zinc/01/51/84/177015184.db2.gz DNYVYMIYCASHDH-ZWNOBZJWSA-N 1 0 268.198 3.466 10 0 CGAERO CCOc1ccc([C@H](CC[NH3+])C2CCC2)cc1F ZINC000076656007 177045565 /nfs/dbraw/zinc/04/55/65/177045565.db2.gz JMVXJHOFVNMBOH-CYBMUJFWSA-N 1 0 251.345 3.457 10 0 CGAERO [NH3+]CC[C@H](COc1ccccc1)c1cccc(F)c1 ZINC000076668581 177052405 /nfs/dbraw/zinc/05/24/05/177052405.db2.gz OVOKMDKHCIETDP-CQSZACIVSA-N 1 0 259.324 3.337 10 0 CGAERO COc1ccc([C@H](CC[NH3+])C2CCC2)c(OC)c1C ZINC000076678598 177056913 /nfs/dbraw/zinc/05/69/13/177056913.db2.gz YBZZBUVAAITUJS-CYBMUJFWSA-N 1 0 263.381 3.245 10 0 CGAERO COc1cc([C@H](CC[NH3+])C2CCC2)c(OC)cc1C ZINC000076678590 177057083 /nfs/dbraw/zinc/05/70/83/177057083.db2.gz GWMYIMSHVRHNAB-CYBMUJFWSA-N 1 0 263.381 3.245 10 0 CGAERO CC[C@H](CC[NH3+])C(=O)Nc1ccccc1C(F)(F)F ZINC000076719095 177069611 /nfs/dbraw/zinc/06/96/11/177069611.db2.gz CLOIQXGODPRZFJ-SECBINFHSA-N 1 0 274.286 3.019 10 0 CGAERO C[C@H](CCC[NH3+])C(=O)Nc1cccc(Cl)c1Cl ZINC000076722367 177069701 /nfs/dbraw/zinc/06/97/01/177069701.db2.gz HYUUTPYFCFKQOD-MRVPVSSYSA-N 1 0 275.179 3.307 10 0 CGAERO [NH3+]CCc1csc(-c2ccccc2C(F)(F)F)n1 ZINC000076783209 177091402 /nfs/dbraw/zinc/09/14/02/177091402.db2.gz YURHHBZEQONVCM-UHFFFAOYSA-N 1 0 272.295 3.330 10 0 CGAERO Cc1cc(NC(=O)CC[C@H](C)C[NH3+])ccc1Br ZINC000076870300 177125528 /nfs/dbraw/zinc/12/55/28/177125528.db2.gz SIVLLAHJSNPIJG-VIFPVBQESA-N 1 0 299.212 3.071 10 0 CGAERO CCc1ccc2oc(C[NH2+]C3CC3)c(COC)c2c1 ZINC000077070747 177186744 /nfs/dbraw/zinc/18/67/44/177186744.db2.gz YCSRWIIDVNEMNA-UHFFFAOYSA-N 1 0 259.349 3.394 10 0 CGAERO CC(C)Oc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2O)cc1 ZINC000077204352 177233004 /nfs/dbraw/zinc/23/30/04/177233004.db2.gz BKFFMFVBCQVTJA-NVXWUHKLSA-N 1 0 277.408 3.115 10 0 CGAERO CC[C@@H](C(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000263615762 416524158 /nfs/dbraw/zinc/52/41/58/416524158.db2.gz FCLAAKQIHWIKQY-YYIAUSFCSA-N 1 0 287.403 3.349 10 0 CGAERO CCC[C@@H]([NH3+])C(=O)Nc1ccccc1OCc1ccccc1 ZINC000309814984 416530253 /nfs/dbraw/zinc/53/02/53/416530253.db2.gz NVONSOBEFCZUEV-OAHLLOKOSA-N 1 0 298.386 3.332 10 0 CGAERO C[N@@H+](Cc1ccc(Cl)s1)C[C@@H]1CCC[C@H](O)C1 ZINC000310444880 416530717 /nfs/dbraw/zinc/53/07/17/416530717.db2.gz UCDJBBXCWIIOBJ-MNOVXSKESA-N 1 0 273.829 3.384 10 0 CGAERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000129864728 287340217 /nfs/dbraw/zinc/34/02/17/287340217.db2.gz UEMQTHWGIOJJFU-HBNTYKKESA-N 1 0 267.335 3.104 10 0 CGAERO O[C@@H]1CCC[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000681006812 543756021 /nfs/dbraw/zinc/75/60/21/543756021.db2.gz CPLLSHJEYDAYBV-FIYWTHMPSA-N 1 0 279.346 3.248 10 0 CGAERO C[C@@H]1C[C@@H](C[NH2+][C@H]2CCCc3cccnc32)C[C@H](C)O1 ZINC000684963641 544047086 /nfs/dbraw/zinc/04/70/86/544047086.db2.gz WYLJJZDFQSBDQU-FQLMCAECSA-N 1 0 274.408 3.252 10 0 CGAERO CC(C)(C)OC(=O)N1CCC[C@]2(C[C@H](CC3CC3)C[NH2+]2)C1 ZINC000725255764 544113375 /nfs/dbraw/zinc/11/33/75/544113375.db2.gz LYEZFOMSYSKPNZ-YOEHRIQHSA-N 1 0 294.439 3.166 10 0 CGAERO CCCC[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]1 ZINC000725261994 544113898 /nfs/dbraw/zinc/11/38/98/544113898.db2.gz QBHPAFCOWYXKCS-XQQFMLRXSA-N 1 0 270.417 3.210 10 0 CGAERO Clc1ccc(Cl)c(-n2cc([C@@H]3CCCC[NH2+]3)nn2)c1 ZINC000725263188 544114034 /nfs/dbraw/zinc/11/40/34/544114034.db2.gz USBYQDRDYVECJC-NSHDSACASA-N 1 0 297.189 3.389 10 0 CGAERO Clc1cc(Cl)cc(-c2cnnn2C2CC[NH2+]CC2)c1 ZINC000725265939 544114749 /nfs/dbraw/zinc/11/47/49/544114749.db2.gz AEQXBHLTONUSNH-UHFFFAOYSA-N 1 0 297.189 3.176 10 0 CGAERO CC(C)[C@@H](C)[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000136386515 287483036 /nfs/dbraw/zinc/48/30/36/287483036.db2.gz ZKENSPMVXHZPLL-SNVBAGLBSA-N 1 0 253.773 3.409 10 0 CGAERO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CO1 ZINC000657301725 419246881 /nfs/dbraw/zinc/24/68/81/419246881.db2.gz FVKQPBYAUKFYFE-WISYIIOYSA-N 1 0 265.319 3.265 10 0 CGAERO CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)c(F)c2)CO1 ZINC000657391353 419267849 /nfs/dbraw/zinc/26/78/49/419267849.db2.gz DGJNODMYODYNDR-FPMFFAJLSA-N 1 0 251.345 3.352 10 0 CGAERO CCC1(CC)CCC[N@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000661672870 419284636 /nfs/dbraw/zinc/28/46/36/419284636.db2.gz QKKQVRLIJUZMJJ-CABCVRRESA-N 1 0 253.430 3.440 10 0 CGAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC[C@H](C2CCCCC2)C1 ZINC000662740832 419485717 /nfs/dbraw/zinc/48/57/17/419485717.db2.gz IMOLNGZTUCYNND-JKSUJKDBSA-N 1 0 280.456 3.179 10 0 CGAERO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(C(C)C)n1C ZINC000190054820 287576500 /nfs/dbraw/zinc/57/65/00/287576500.db2.gz WESUHKZQYCNCNA-QWHCGFSZSA-N 1 0 296.484 3.092 10 0 CGAERO Cc1cc(C[NH2+][C@@H](CC(C)C)CN(C)C)cc(C)c1O ZINC000037167321 270028674 /nfs/dbraw/zinc/02/86/74/270028674.db2.gz GXXYCWNSQRDBRJ-INIZCTEOSA-N 1 0 278.440 3.075 10 0 CGAERO CC(C)C[C@@H](CN(C)C)[NH2+]Cc1ccc(F)cc1F ZINC000037166680 270028937 /nfs/dbraw/zinc/02/89/37/270028937.db2.gz PDTHFMCAUWGPOG-AWEZNQCLSA-N 1 0 270.367 3.031 10 0 CGAERO CC(C)C[C@H](CO)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000040773068 270030561 /nfs/dbraw/zinc/03/05/61/270030561.db2.gz DQJPJTPHNBNAGL-MRXNPFEDSA-N 1 0 263.425 3.481 10 0 CGAERO CC(C)(C)c1ccccc1NC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085360844 270043510 /nfs/dbraw/zinc/04/35/10/270043510.db2.gz UJHTVQMTSULXFV-WCQYABFASA-N 1 0 260.381 3.050 10 0 CGAERO C[N@H+](CCc1cccc2ccccc21)CC(=O)NC(C)(C)C ZINC000101556467 270044572 /nfs/dbraw/zinc/04/45/72/270044572.db2.gz DLMCKECOQSYGPM-UHFFFAOYSA-N 1 0 298.430 3.229 10 0 CGAERO Cc1cccc(NC(=O)C[N@H+](C2CC2)C2CCCC2)c1 ZINC000103466547 270045909 /nfs/dbraw/zinc/04/59/09/270045909.db2.gz RGDIBTNOYCYACJ-UHFFFAOYSA-N 1 0 272.392 3.341 10 0 CGAERO COC(=O)c1cc(F)ccc1C[N@H+]([C@@H](C)C1CC1)C1CC1 ZINC000103466597 270046077 /nfs/dbraw/zinc/04/60/77/270046077.db2.gz CYFYLHSUSFXSBK-NSHDSACASA-N 1 0 291.366 3.375 10 0 CGAERO O[C@]12CCCC[C@@H]1C[N@H+](CCCc1cccc(F)c1)CC2 ZINC000182850947 270054453 /nfs/dbraw/zinc/05/44/53/270054453.db2.gz NZRFXRXOEFNZLS-AEFFLSMTSA-N 1 0 291.410 3.385 10 0 CGAERO C[C@H]([NH2+]C[C@@H]1CCCN1C)c1ccc2c(c1)CCCC2 ZINC000222702838 270086149 /nfs/dbraw/zinc/08/61/49/270086149.db2.gz KVKWTCDVDVZNCX-KSSFIOAISA-N 1 0 272.436 3.310 10 0 CGAERO CCC[C@H](C(=O)N1CC[C@H](c2ccccc2)[C@H]1C)[NH+](C)C ZINC000245763985 287678342 /nfs/dbraw/zinc/67/83/42/287678342.db2.gz JCUKJQJHXLFDST-HYVNUMGLSA-N 1 0 288.435 3.121 10 0 CGAERO COc1ccc(C[C@@H]2[NH2+]CCC3=C2CC=CC3)cc1 ZINC000205778303 274111095 /nfs/dbraw/zinc/11/10/95/274111095.db2.gz CXZWFIJVAOQSEB-KRWDZBQOSA-N 1 0 255.361 3.246 10 0 CGAERO C=Cn1cc(C[NH2+][C@H]2CC(C)(C)Oc3ccccc32)cn1 ZINC000194369569 275440602 /nfs/dbraw/zinc/44/06/02/275440602.db2.gz RSYDVUHCWAOAKF-HNNXBMFYSA-N 1 0 283.375 3.376 10 0 CGAERO CC(C)COC[C@H](O)C[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000255959349 287885433 /nfs/dbraw/zinc/88/54/33/287885433.db2.gz RRZQECCEFLVFPY-WCXIOVBPSA-N 1 0 285.472 3.070 10 0 CGAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000392856613 287996545 /nfs/dbraw/zinc/99/65/45/287996545.db2.gz BCBZVVQCSMVCTB-XGUBFFRZSA-N 1 0 280.456 3.238 10 0 CGAERO COc1cccc(C[NH2+][C@@H]2c3cc(C)ccc3C[C@@H]2C)n1 ZINC000180460697 278013060 /nfs/dbraw/zinc/01/30/60/278013060.db2.gz HUAVONNVJGNMCY-UGSOOPFHSA-N 1 0 282.387 3.422 10 0 CGAERO COc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)c1 ZINC000247132641 278021832 /nfs/dbraw/zinc/02/18/32/278021832.db2.gz QICAJMZEXKIHRO-DXEWXGHRSA-N 1 0 275.392 3.303 10 0 CGAERO C[C@H](N[C@H]1CCC[NH2+][C@@H]1C)c1ccccc1Cl ZINC000396674986 288015360 /nfs/dbraw/zinc/01/53/60/288015360.db2.gz SHNFLJMCSGFVKU-WDMOLILDSA-N 1 0 252.789 3.131 10 0 CGAERO Cc1ccc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2)nn1 ZINC000396693099 288015455 /nfs/dbraw/zinc/01/54/55/288015455.db2.gz CXDUKCSOAJVKFA-AWEZNQCLSA-N 1 0 255.365 3.253 10 0 CGAERO C[C@H](N[C@@H]1CCC[NH2+][C@@H]1C)c1ccc(Cl)cc1 ZINC000396707055 288015768 /nfs/dbraw/zinc/01/57/68/288015768.db2.gz KATKLUQGMUNCGN-MISXGVKJSA-N 1 0 252.789 3.131 10 0 CGAERO CC[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1cccc(Cl)c1 ZINC000282216131 288087276 /nfs/dbraw/zinc/08/72/76/288087276.db2.gz HSAOQHDTAGPPEC-SWHYSGLUSA-N 1 0 280.799 3.048 10 0 CGAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000306248466 278938818 /nfs/dbraw/zinc/93/88/18/278938818.db2.gz URIPQCMNSJFUCK-YEPSODPASA-N 1 0 272.211 3.496 10 0 CGAERO O[C@H]1CCCC[C@H]1C[NH2+]CCc1cccc(Cl)c1 ZINC000459445561 288093283 /nfs/dbraw/zinc/09/32/83/288093283.db2.gz MYJBAFKRWNDVCA-ZFWWWQNUSA-N 1 0 267.800 3.023 10 0 CGAERO CC(C)C[C@@H]1CCCC[N@@H+]1Cc1nnc(C2CC2)n1C ZINC000123474794 279021649 /nfs/dbraw/zinc/02/16/49/279021649.db2.gz NTZKQXZQXIYDEO-AWEZNQCLSA-N 1 0 276.428 3.093 10 0 CGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)[C@H](C)C2 ZINC000182686533 281124743 /nfs/dbraw/zinc/12/47/43/281124743.db2.gz CGZMVSJXCXXFHI-XWIAVFTESA-N 1 0 294.398 3.045 10 0 CGAERO Cc1cccc2c1OCC[C@H]2[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000188878297 281290591 /nfs/dbraw/zinc/29/05/91/281290591.db2.gz MMEBMUCQVXAQLH-HEHGZKQESA-N 1 0 275.392 3.364 10 0 CGAERO Cc1nc2c(s1)[C@H]([N@H+](C)C[C@H]1CCC=CO1)CCC2 ZINC000249041588 282039425 /nfs/dbraw/zinc/03/94/25/282039425.db2.gz UZBMHQOSTJPKQA-TZMCWYRMSA-N 1 0 278.421 3.453 10 0 CGAERO CCC(CC)(C[NH3+])C(=O)NCC[C@H]1CCC[C@H](C)C1 ZINC000070538779 282070558 /nfs/dbraw/zinc/07/05/58/282070558.db2.gz 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RJEUQSPEDSLQQL-CHWSQXEVSA-N 1 0 279.428 3.227 10 0 CGAERO Oc1cccc2c1CC[C@@H]2[NH2+]CCSC(F)(F)F ZINC000231937751 623349995 /nfs/dbraw/zinc/34/99/95/623349995.db2.gz PSKRDNLQQHRULS-JTQLQIEISA-N 1 0 277.311 3.222 10 0 CGAERO CC(C)CCOc1ccc([C@@H](C)[NH2+]CC2OCCO2)cc1 ZINC000180248972 624730007 /nfs/dbraw/zinc/73/00/07/624730007.db2.gz PVQWMJNZXRFKSD-CQSZACIVSA-N 1 0 293.407 3.135 10 0 CGAERO CC[N@H+](C[C@H](O)c1cc2ccccc2o1)CC1CC1 ZINC000069239133 624813262 /nfs/dbraw/zinc/81/32/62/624813262.db2.gz TYARACMNXCMUTG-AWEZNQCLSA-N 1 0 259.349 3.198 10 0 CGAERO C[C@H](CC1CC1)[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000251238683 624867542 /nfs/dbraw/zinc/86/75/42/624867542.db2.gz RVXGIYJJIVJFME-SNPRPXQTSA-N 1 0 296.455 3.458 10 0 CGAERO Cc1cc(CN2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)cc(Cl)n1 ZINC000320832515 625976215 /nfs/dbraw/zinc/97/62/15/625976215.db2.gz HXQWXERXRLKAQI-ZFWWWQNUSA-N 1 0 293.842 3.102 10 0 CGAERO Fc1c(Cl)cccc1-c1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000124931325 634533034 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[NH3+]C[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1F ZINC000089389642 640644381 /nfs/dbraw/zinc/64/43/81/640644381.db2.gz APCBZJWEWCXTJJ-ONGXEEELSA-N 1 0 284.762 3.183 10 0 CGAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000246893043 640699265 /nfs/dbraw/zinc/69/92/65/640699265.db2.gz HGOJZFFHWMWLGB-RFGFWPKPSA-N 1 0 282.428 3.068 10 0 CGAERO CC[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1ccc2c(c1)CCO2 ZINC000248152755 640744220 /nfs/dbraw/zinc/74/42/20/640744220.db2.gz QYVIKYILWGWSFY-ULQDDVLXSA-N 1 0 289.419 3.213 10 0 CGAERO CCO[C@@H]1C[C@H]([N@H+](C)CCC(=O)CC)C12CCCC2 ZINC000249134960 640793565 /nfs/dbraw/zinc/79/35/65/640793565.db2.gz YOPVGDJVRKJLHC-LSDHHAIUSA-N 1 0 267.413 3.025 10 0 CGAERO C[C@@H]1CCC[C@H](c2noc([C@@H]3CCC[C@H]3C[NH3+])n2)C1 ZINC000251945138 640836421 /nfs/dbraw/zinc/83/64/21/640836421.db2.gz WGXVRWXJOVXNPB-MROQNXINSA-N 1 0 263.385 3.206 10 0 CGAERO C[C@H]([NH2+][C@H]1C[C@H]1C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000252179449 640840289 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C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccc2ccccc2n1 ZINC000177952133 189081026 /nfs/dbraw/zinc/08/10/26/189081026.db2.gz GEUJFIFCFZZUIG-DCGLDWPTSA-N 1 0 270.376 3.453 10 0 CGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCCc1ccccc1 ZINC000178284908 189103300 /nfs/dbraw/zinc/10/33/00/189103300.db2.gz PSZSYMIIFANQJU-SFHVURJKSA-N 1 0 283.419 3.289 10 0 CGAERO CCC[C@@H](C(=O)Nc1ccc(OCC)cc1C)[NH+](C)C ZINC000179997059 189231704 /nfs/dbraw/zinc/23/17/04/189231704.db2.gz BSEJYAZQVHSTAV-HNNXBMFYSA-N 1 0 278.396 3.063 10 0 CGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000180132999 189238236 /nfs/dbraw/zinc/23/82/36/189238236.db2.gz JNKKJDMKAAYSDR-INIZCTEOSA-N 1 0 294.402 3.337 10 0 CGAERO Cc1cnn(CC[NH2+][C@@H](c2ccc(C)cc2)C2CC2)c1 ZINC000180158251 189240268 /nfs/dbraw/zinc/24/02/68/189240268.db2.gz WYFUCEHKIXZOKB-KRWDZBQOSA-N 1 0 269.392 3.241 10 0 CGAERO COc1ccc([C@H](C)C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000180052713 189234896 /nfs/dbraw/zinc/23/48/96/189234896.db2.gz PRSCYINDFXRJOZ-RDTXWAMCSA-N 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171020845 /nfs/dbraw/zinc/02/08/45/171020845.db2.gz QSKLIUSTVYOXAA-UHFFFAOYSA-N 1 0 257.381 3.453 10 0 CGAERO CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000020207349 171072375 /nfs/dbraw/zinc/07/23/75/171072375.db2.gz OLXSSMDKIGFNSU-YDHLFZDLSA-N 1 0 263.381 3.303 10 0 CGAERO COc1ccc(CN(C)[C@H](C[NH3+])c2cccc(C)c2)cc1 ZINC000020225507 171088448 /nfs/dbraw/zinc/08/84/48/171088448.db2.gz XVQLCITVXMFCNB-GOSISDBHSA-N 1 0 284.403 3.135 10 0 CGAERO COc1ccccc1[C@@H](C[NH3+])N(C)Cc1cccc(C)c1 ZINC000020225750 171089696 /nfs/dbraw/zinc/08/96/96/171089696.db2.gz VVQDMASXEZOLEG-QGZVFWFLSA-N 1 0 284.403 3.135 10 0 CGAERO CN(CC(C)(C)C)[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000020225983 171090109 /nfs/dbraw/zinc/09/01/09/171090109.db2.gz GWTAVGTUDBMEAK-CYBMUJFWSA-N 1 0 254.805 3.318 10 0 CGAERO CN(Cc1ccccc1Cl)C1(C[NH3+])CCCCC1 ZINC000020226853 171091573 /nfs/dbraw/zinc/09/15/73/171091573.db2.gz IECLWNXVDQSHQF-UHFFFAOYSA-N 1 0 266.816 3.433 10 0 CGAERO CN(CC(C)(C)C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000020226528 171092054 /nfs/dbraw/zinc/09/20/54/171092054.db2.gz HPZVIJGUMNLABZ-ZDUSSCGKSA-N 1 0 299.256 3.427 10 0 CGAERO CCc1cccc(O[C@H]2Cc3ccccc3[C@@H]2[NH3+])c1 ZINC000020263162 171120762 /nfs/dbraw/zinc/12/07/62/171120762.db2.gz WKPSQLLXKDKZJT-IRXDYDNUSA-N 1 0 253.345 3.253 10 0 CGAERO [NH3+]C[C@@H](c1ccc(F)cc1)N1CCCCCCC1 ZINC000020265287 171122845 /nfs/dbraw/zinc/12/28/45/171122845.db2.gz CYIJTDGZJZNGGP-HNNXBMFYSA-N 1 0 250.361 3.092 10 0 CGAERO [NH3+][C@H](Cc1nc2ccccc2o1)c1ccccc1F ZINC000020427981 171193555 /nfs/dbraw/zinc/19/35/55/171193555.db2.gz CHBPXOFSIORSTF-GFCCVEGCSA-N 1 0 256.280 3.209 10 0 CGAERO c1ccc2c(c1)cccc2N[C@H]1C[NH+]2CCC1CC2 ZINC000020440306 171203859 /nfs/dbraw/zinc/20/38/59/171203859.db2.gz BKTRXCFTANZUKE-KRWDZBQOSA-N 1 0 252.361 3.346 10 0 CGAERO CCCCCCOC[C@@H]([NH3+])c1ccc(OC)cc1 ZINC000020512555 171231198 /nfs/dbraw/zinc/23/11/98/171231198.db2.gz BXDKODJBYJMMPM-OAHLLOKOSA-N 1 0 251.370 3.292 10 0 CGAERO CC1(C)Cc2sc(CC[NH3+])nc2-c2ccccc21 ZINC000020525690 171238364 /nfs/dbraw/zinc/23/83/64/171238364.db2.gz NZJAKZCVDFINJH-UHFFFAOYSA-N 1 0 258.390 3.145 10 0 CGAERO Cc1cc(C)c([C@H](N)C[NH+]2CCCCCC2)c(C)c1 ZINC000021520307 171315699 /nfs/dbraw/zinc/31/56/99/171315699.db2.gz ZLTYUSYHDCUYLQ-MRXNPFEDSA-N 1 0 260.425 3.488 10 0 CGAERO C[C@@H]1CCC[C@H](C)C1[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000021818387 171333172 /nfs/dbraw/zinc/33/31/72/171333172.db2.gz OZRNBCRQFVCZCT-IAPGTGOOSA-N 1 0 275.392 3.241 10 0 CGAERO C[C@H](c1cccc(C(F)(F)F)c1)N1CCC[NH2+]CC1 ZINC000022106554 171353013 /nfs/dbraw/zinc/35/30/13/171353013.db2.gz YDAKMIGVBWTJPW-LLVKDONJSA-N 1 0 272.314 3.062 10 0 CGAERO C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc(Cl)ccc1N ZINC000022152281 171359689 /nfs/dbraw/zinc/35/96/89/171359689.db2.gz MKJUEFSEWLFEQM-NSHDSACASA-N 1 0 295.814 3.125 10 0 CGAERO CCC[NH+](CCC)[C@@H](C)C(=O)Nc1cccc(N)c1C ZINC000022153959 171360933 /nfs/dbraw/zinc/36/09/33/171360933.db2.gz QTUARKVQILVLDZ-ZDUSSCGKSA-N 1 0 277.412 3.026 10 0 CGAERO CC1(C)Cc2cccc(Oc3cc(C[NH3+])ccn3)c2O1 ZINC000022168466 171366540 /nfs/dbraw/zinc/36/65/40/171366540.db2.gz JMAKVGKWSRFMCN-UHFFFAOYSA-N 1 0 270.332 3.046 10 0 CGAERO Cc1ccsc1[C@@H](C[NH3+])N1CCc2ccccc21 ZINC000022173843 171369211 /nfs/dbraw/zinc/36/92/11/171369211.db2.gz GGKJNWGCTLGZKW-CQSZACIVSA-N 1 0 258.390 3.119 10 0 CGAERO Nc1cc(NC(=O)CCC[NH+]2CCCCC2)ccc1Cl ZINC000022218617 171376875 /nfs/dbraw/zinc/37/68/75/171376875.db2.gz OWDWQVCFGGJKCK-UHFFFAOYSA-N 1 0 295.814 3.127 10 0 CGAERO Cc1c(N)cccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000022224205 171380016 /nfs/dbraw/zinc/38/00/16/171380016.db2.gz SCYGYZHLDRAUEQ-AWEZNQCLSA-N 1 0 297.402 3.036 10 0 CGAERO CCOc1ccccc1O[C@H]1C[C@@H](CC)CC[C@@H]1[NH3+] ZINC000022563102 171391005 /nfs/dbraw/zinc/39/10/05/171391005.db2.gz IHUALKPPXYLCNH-XEZPLFJOSA-N 1 0 263.381 3.370 10 0 CGAERO COc1cccc(OC[C@@H]([NH3+])c2ccccc2C)c1 ZINC000022567170 171392703 /nfs/dbraw/zinc/39/27/03/171392703.db2.gz OZXSWAVVPSUHHH-MRXNPFEDSA-N 1 0 257.333 3.082 10 0 CGAERO CCc1ccc(O[C@@H]2Cc3ccccc3[C@@H]2[NH3+])cc1 ZINC000023066686 171407940 /nfs/dbraw/zinc/40/79/40/171407940.db2.gz VDQJFIYIGSVLGD-SJORKVTESA-N 1 0 253.345 3.253 10 0 CGAERO Cc1nn(C)cc1C[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000126070119 287257041 /nfs/dbraw/zinc/25/70/41/287257041.db2.gz LEXKFXCFUZFHSA-NSHDSACASA-N 1 0 261.344 3.027 10 0 CGAERO CC[C@@H](C)[NH2+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000035159799 172017674 /nfs/dbraw/zinc/01/76/74/172017674.db2.gz DPOZZGBKDKKLDG-MRVPVSSYSA-N 1 0 275.179 3.320 10 0 CGAERO CCC[C@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1C ZINC000035159866 172017947 /nfs/dbraw/zinc/01/79/47/172017947.db2.gz LJGIOBQRPGOESH-NSHDSACASA-N 1 0 268.788 3.365 10 0 CGAERO CC1CCC(C[NH3+])(N2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000035176766 172030207 /nfs/dbraw/zinc/03/02/07/172030207.db2.gz BKOUXVURSBPZSK-VUROTCPHSA-N 1 0 264.457 3.406 10 0 CGAERO C[C@@H]([NH2+][C@@H]1CCCc2ccccc21)C(=O)NC1CCCC1 ZINC000035179116 172032052 /nfs/dbraw/zinc/03/20/52/172032052.db2.gz MMUSSNZWABYNLV-CXAGYDPISA-N 1 0 286.419 3.101 10 0 CGAERO Cc1ccc(NC(=O)C[NH2+][C@@H]2CCc3ccccc32)cc1 ZINC000035180533 172034280 /nfs/dbraw/zinc/03/42/80/172034280.db2.gz WUYZFHMKEBBXKB-QGZVFWFLSA-N 1 0 280.371 3.211 10 0 CGAERO CCC[C@H]([NH2+][C@H](C)C(=O)N(CC)CC)c1ccccc1 ZINC000035224750 172069687 /nfs/dbraw/zinc/06/96/87/172069687.db2.gz RNFLXZPDRSNLOW-ZBFHGGJFSA-N 1 0 276.424 3.374 10 0 CGAERO COc1ccc(C(C)=O)cc1C[N@H+](C)[C@H](C)C(C)C ZINC000035255580 172085678 /nfs/dbraw/zinc/08/56/78/172085678.db2.gz LMUSXEBJPOFNQE-GFCCVEGCSA-N 1 0 263.381 3.374 10 0 CGAERO CCCC[NH2+][C@@H]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000035273291 172093708 /nfs/dbraw/zinc/09/37/08/172093708.db2.gz GWEJPZMBJZTIMA-GHMZBOCLSA-N 1 0 253.308 3.266 10 0 CGAERO Cc1ccc([C@H]2C[NH2+]C[C@H](c3ccccc3)O2)cc1 ZINC000035285498 172103309 /nfs/dbraw/zinc/10/33/09/172103309.db2.gz BLRSZKDQEGRALV-IAGOWNOFSA-N 1 0 253.345 3.397 10 0 CGAERO Cc1ccccc1[C@H]1C[NH2+]C[C@@H](c2ccccc2)O1 ZINC000035285384 172103319 /nfs/dbraw/zinc/10/33/19/172103319.db2.gz SJPYRTOGODBZMQ-DLBZAZTESA-N 1 0 253.345 3.397 10 0 CGAERO C[C@H]1CSC(NC23CC4CC(CC(C4)C2)C3)=[NH+]1 ZINC000035294403 172105850 /nfs/dbraw/zinc/10/58/50/172105850.db2.gz LXZRGXIQKMSPGQ-BRZBPJHZSA-N 1 0 250.411 3.036 10 0 CGAERO COc1ccc([C@@H]([NH3+])c2occc2C)cc1Br ZINC000035381658 172164303 /nfs/dbraw/zinc/16/43/03/172164303.db2.gz GVHXAOYUSRKOJQ-GFCCVEGCSA-N 1 0 296.164 3.407 10 0 CGAERO CC[C@@H]([NH2+]C)c1cc2c(cc1Cl)OCCCO2 ZINC000035501129 172234787 /nfs/dbraw/zinc/23/47/87/172234787.db2.gz NRNIXCIXIKGXLD-LLVKDONJSA-N 1 0 255.745 3.172 10 0 CGAERO C[NH2+][C@H](CC(F)(F)F)c1cnn(-c2ccccc2)c1 ZINC000035500563 172235157 /nfs/dbraw/zinc/23/51/57/172235157.db2.gz FJVUEZMMVVARHP-GFCCVEGCSA-N 1 0 269.270 3.085 10 0 CGAERO C[NH2+][C@H](Cc1ncc[nH]1)c1cc(Cl)cc(Cl)c1 ZINC000035504180 172237616 /nfs/dbraw/zinc/23/76/16/172237616.db2.gz SIZMWIIKGNJCAW-LLVKDONJSA-N 1 0 270.163 3.220 10 0 CGAERO CC[NH2+][C@H](c1cc(OC)ccc1OC)[C@H](C)CC ZINC000035541451 172248778 /nfs/dbraw/zinc/24/87/78/172248778.db2.gz LJFGGTWJAVGIMG-ABAIWWIYSA-N 1 0 251.370 3.401 10 0 CGAERO CC[NH2+][C@H](c1cccs1)[C@H]1Cc2ccccc2O1 ZINC000035545448 172253333 /nfs/dbraw/zinc/25/33/33/172253333.db2.gz OACNDGTXHNYIBJ-HIFRSBDPSA-N 1 0 259.374 3.402 10 0 CGAERO CC[NH2+][C@@H](c1cnn(C)c1)c1cc(Cl)cc(Cl)c1 ZINC000035556091 172262134 /nfs/dbraw/zinc/26/21/34/172262134.db2.gz VHGVSCOWWAMGFC-CYBMUJFWSA-N 1 0 284.190 3.426 10 0 CGAERO CC[NH2+][C@H](Cc1ncc[nH]1)C[C@H](C)CC(C)(C)C ZINC000035570094 172265074 /nfs/dbraw/zinc/26/50/74/172265074.db2.gz CTBDPOQIXQDKGR-STQMWFEESA-N 1 0 251.418 3.393 10 0 CGAERO CC[NH2+][C@H](c1cc2c(cc1Cl)NC(=O)C2)[C@H]1C[C@@H]1C ZINC000035572022 172268118 /nfs/dbraw/zinc/26/81/18/172268118.db2.gz DDWDZNTYEBGILV-KPCOEVGBSA-N 1 0 278.783 3.141 10 0 CGAERO CCC[NH2+][C@@H](c1ccc(F)c(F)c1)[C@H]1CCCO1 ZINC000035582485 172280287 /nfs/dbraw/zinc/28/02/87/172280287.db2.gz TUEYIOZCTADSNS-KGLIPLIRSA-N 1 0 255.308 3.185 10 0 CGAERO [NH3+]Cc1cc(Cl)cc(Cl)c1OCc1cccnc1 ZINC000035661842 172339630 /nfs/dbraw/zinc/33/96/30/172339630.db2.gz ZHYRBMJYEKGJSD-UHFFFAOYSA-N 1 0 283.158 3.426 10 0 CGAERO CCCC(C[NH3+])(CCC)N(C)Cc1cccs1 ZINC000035717205 172371609 /nfs/dbraw/zinc/37/16/09/172371609.db2.gz SRMGARHXMJNCIC-UHFFFAOYSA-N 1 0 254.443 3.478 10 0 CGAERO CN(Cc1ccsc1)[C@H](C[NH3+])c1ccccc1F ZINC000035718739 172372818 /nfs/dbraw/zinc/37/28/18/172372818.db2.gz PBLOXHABFDFFAM-CQSZACIVSA-N 1 0 264.369 3.019 10 0 CGAERO COc1ccc(S[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000035723800 172379194 /nfs/dbraw/zinc/37/91/94/172379194.db2.gz UTHBVTNHNIJQDH-BXUZGUMPSA-N 1 0 251.395 3.305 10 0 CGAERO C[C@@H]1C[C@@H]([NH3+])c2cccc(Br)c2S1 ZINC000035751990 172397109 /nfs/dbraw/zinc/39/71/09/172397109.db2.gz DOSSECVAWIYCME-HZGVNTEJSA-N 1 0 258.184 3.333 10 0 CGAERO C[C@@H]([NH2+]CC(=O)N(C)C)c1ccc(-c2ccccc2)cc1 ZINC000037207623 173028885 /nfs/dbraw/zinc/02/88/85/173028885.db2.gz VNAVBFPAOATLSH-CQSZACIVSA-N 1 0 282.387 3.092 10 0 CGAERO C[C@H](Nc1ccc(Cl)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000037209880 173031539 /nfs/dbraw/zinc/03/15/39/173031539.db2.gz CAAZORSAGDLKDF-RYUDHWBXSA-N 1 0 252.789 3.482 10 0 CGAERO CC(C)=CC[NH+]1CCC(N[C@@H](C)c2ccco2)CC1 ZINC000037260426 173070600 /nfs/dbraw/zinc/07/06/00/173070600.db2.gz MHDFIZVQPJFKJT-AWEZNQCLSA-N 1 0 262.397 3.361 10 0 CGAERO O=C(c1cc(Cl)ccc1Cl)C1CC[NH2+]CC1 ZINC000037378279 173166291 /nfs/dbraw/zinc/16/62/91/173166291.db2.gz YLYSHECQXBJYLW-UHFFFAOYSA-N 1 0 258.148 3.176 10 0 CGAERO COc1cccc([C@](C)([NH3+])Cc2cccc(C)c2)c1 ZINC000037531519 173253234 /nfs/dbraw/zinc/25/32/34/173253234.db2.gz QFRWXFWXFDOAOL-QGZVFWFLSA-N 1 0 255.361 3.420 10 0 CGAERO CCC[NH2+][C@@H](Cc1ccccc1F)C[C@H]1CCCO1 ZINC000037535283 173254447 /nfs/dbraw/zinc/25/44/47/173254447.db2.gz LGVZHKXJFOTMRE-LSDHHAIUSA-N 1 0 265.372 3.306 10 0 CGAERO CCn1c(CC[NH2+]C(C)C)nc2cc(Cl)ccc21 ZINC000037599810 173552775 /nfs/dbraw/zinc/55/27/75/173552775.db2.gz PXRGHQZQQAORAT-UHFFFAOYSA-N 1 0 265.788 3.250 10 0 CGAERO C[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)c1cc[nH]n1 ZINC000037908203 173841362 /nfs/dbraw/zinc/84/13/62/173841362.db2.gz NIPJICLEHLKKNJ-GUBZILKMSA-N 1 0 261.291 3.181 10 0 CGAERO CC(C)(C[NH2+][C@@H]1CCCCC[C@H]1O)c1ccccc1 ZINC000037934980 173875993 /nfs/dbraw/zinc/87/59/93/173875993.db2.gz OJUASAIAJJYURH-HZPDHXFCSA-N 1 0 261.409 3.247 10 0 CGAERO [NH3+]CCN(CCCc1ccccc1)Cc1ccccc1 ZINC000038033246 174030958 /nfs/dbraw/zinc/03/09/58/174030958.db2.gz OLOLTGFWRSUTFQ-UHFFFAOYSA-N 1 0 268.404 3.080 10 0 CGAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CCCOC1 ZINC000038043608 174050735 /nfs/dbraw/zinc/05/07/35/174050735.db2.gz IABLYQNMBLEKQT-DYVFJYSZSA-N 1 0 275.392 3.089 10 0 CGAERO c1ccc([C@@H]([NH2+]C[C@@H]2CCCOC2)c2ccncc2)cc1 ZINC000038044701 174052857 /nfs/dbraw/zinc/05/28/57/174052857.db2.gz QVCMLCULNVZITJ-MAUKXSAKSA-N 1 0 282.387 3.187 10 0 CGAERO CC(C)[N@@H+](Cc1ccccc1)C[C@@H](N)Cc1ccccc1 ZINC000039141060 174164529 /nfs/dbraw/zinc/16/45/29/174164529.db2.gz SGETXYLQFDAORK-IBGZPJMESA-N 1 0 282.431 3.467 10 0 CGAERO CCC1(C(=O)NCC[NH2+]C2CCCCCC2)CCCC1 ZINC000127489336 287288956 /nfs/dbraw/zinc/28/89/56/287288956.db2.gz WXDIOVLQSVADBO-UHFFFAOYSA-N 1 0 280.456 3.385 10 0 CGAERO CCOCCCn1c2ccccc2nc1[C@H]([NH3+])C(C)C ZINC000040163875 174197152 /nfs/dbraw/zinc/19/71/52/174197152.db2.gz HQFKREOOMVQKLA-OAHLLOKOSA-N 1 0 275.396 3.119 10 0 CGAERO CC(C)(C)c1ccc(OCC[NH+]2CCCC2)c(C=O)c1 ZINC000040541766 174322729 /nfs/dbraw/zinc/32/27/29/174322729.db2.gz ATVVKTGRGTXHLK-UHFFFAOYSA-N 1 0 275.392 3.271 10 0 CGAERO CCN(CC[NH2+]C(C)C)Cc1cc(Cl)ccc1OC ZINC000042387180 174704677 /nfs/dbraw/zinc/70/46/77/174704677.db2.gz GJNCRZNLVFSZJP-UHFFFAOYSA-N 1 0 284.831 3.169 10 0 CGAERO Cc1ncsc1CCO[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000042903766 174906672 /nfs/dbraw/zinc/90/66/72/174906672.db2.gz SAMYNKAYBRGFIC-IAQYHMDHSA-N 1 0 276.405 3.099 10 0 CGAERO Cc1ccc([C@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)c1 ZINC000044113741 175140981 /nfs/dbraw/zinc/14/09/81/175140981.db2.gz LCOMKHHPADTRQO-JKIFEVAISA-N 1 0 261.409 3.315 10 0 CGAERO CCc1ccc([C@@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000044113793 175141278 /nfs/dbraw/zinc/14/12/78/175141278.db2.gz CWIQPGFVKZZRJB-VBQJREDUSA-N 1 0 261.409 3.260 10 0 CGAERO CCCOc1ccc([C@@H](O)C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000044116265 175141698 /nfs/dbraw/zinc/14/16/98/175141698.db2.gz KVYMPBRAPQQOHF-YOEHRIQHSA-N 1 0 277.408 3.383 10 0 CGAERO CCC[NH+](CCC)C[C@H](O)c1ccc(OCC)cc1 ZINC000044119998 175142508 /nfs/dbraw/zinc/14/25/08/175142508.db2.gz IYBMCRGAQYXOIY-INIZCTEOSA-N 1 0 265.397 3.241 10 0 CGAERO COc1ccccc1C[NH2+][C@@H]1C[C@@H]1c1ccccc1 ZINC000044423837 175174082 /nfs/dbraw/zinc/17/40/82/175174082.db2.gz JYSZLOJJRAJVHI-HZPDHXFCSA-N 1 0 253.345 3.341 10 0 CGAERO CCC[NH2+]Cc1nc2cc(Br)ccc2n1CC ZINC000044623965 175220390 /nfs/dbraw/zinc/22/03/90/175220390.db2.gz QBDCAZAPWNHCIJ-UHFFFAOYSA-N 1 0 296.212 3.318 10 0 CGAERO CCc1cccc(C)c1NC(=O)C1(C[NH3+])CCCC1 ZINC000044761993 175246332 /nfs/dbraw/zinc/24/63/32/175246332.db2.gz OSPANXYSPGDELB-UHFFFAOYSA-N 1 0 260.381 3.015 10 0 CGAERO CC(C)OCCC[NH2+]Cc1cn(C)c2ccccc12 ZINC000045945055 175387272 /nfs/dbraw/zinc/38/72/72/175387272.db2.gz HHQAPURDSIWLQY-UHFFFAOYSA-N 1 0 260.381 3.083 10 0 CGAERO COc1ccc(C[NH2+]Cc2cn(C)c3ccccc23)cc1 ZINC000045945046 175387474 /nfs/dbraw/zinc/38/74/74/175387474.db2.gz IYIXSMGIWRAKQV-UHFFFAOYSA-N 1 0 280.371 3.477 10 0 CGAERO C[C@H](CC(=O)Nc1ccc2c(c1)C[NH2+]CC2)C(C)(C)C ZINC000069052682 175818404 /nfs/dbraw/zinc/81/84/04/175818404.db2.gz CSGCZAWQPJHMSA-GFCCVEGCSA-N 1 0 274.408 3.343 10 0 CGAERO [NH3+][C@H](Cc1ccc(Cl)c(Cl)c1)C1CCOCC1 ZINC000070579326 175994105 /nfs/dbraw/zinc/99/41/05/175994105.db2.gz KHCXJQUHKDACGA-CYBMUJFWSA-N 1 0 274.191 3.290 10 0 CGAERO Brc1cccc2c1CC[NH2+][C@@H]2C1CC1 ZINC000070821314 176007355 /nfs/dbraw/zinc/00/73/55/176007355.db2.gz PBNFAAIJGSTXLK-GFCCVEGCSA-N 1 0 252.155 3.046 10 0 CGAERO C[C@H](Oc1cc(F)ccc1F)[C@H]([NH3+])c1ccccc1 ZINC000071167659 176049633 /nfs/dbraw/zinc/04/96/33/176049633.db2.gz JBMJGTORQAQZTN-BONVTDFDSA-N 1 0 263.287 3.432 10 0 CGAERO COc1ccc(C[C@](C)([NH3+])c2ccccc2F)cc1 ZINC000071169470 176050660 /nfs/dbraw/zinc/05/06/60/176050660.db2.gz RQLDRNCQMNWIDJ-INIZCTEOSA-N 1 0 259.324 3.251 10 0 CGAERO CCCC[C@H]([NH2+]C[C@@H](O)C1CC1)c1ccc(F)cc1 ZINC000071300251 176113687 /nfs/dbraw/zinc/11/36/87/176113687.db2.gz WEAMWNWKFNORJG-JKSUJKDBSA-N 1 0 265.372 3.418 10 0 CGAERO CC(C)Oc1ccc([C@H](CC[NH3+])C2CC2)cc1F ZINC000071573377 176199882 /nfs/dbraw/zinc/19/98/82/176199882.db2.gz IUJFPCZFMIZCNZ-CYBMUJFWSA-N 1 0 251.345 3.455 10 0 CGAERO [NH3+]C1CCC(c2cccc(Br)c2)CC1 ZINC000071575367 176202992 /nfs/dbraw/zinc/20/29/92/176202992.db2.gz JBVAFVJKMIKGOM-UHFFFAOYSA-N 1 0 254.171 3.434 10 0 CGAERO [NH3+]C1(C(=O)c2c(F)cccc2Cl)CCCCC1 ZINC000071576841 176204505 /nfs/dbraw/zinc/20/45/05/176204505.db2.gz MNZXHTRGSJYHSI-UHFFFAOYSA-N 1 0 255.720 3.323 10 0 CGAERO CCc1ccc([C@@H](C)CCCN2CC[NH2+]CC2)cc1 ZINC000071587018 176214071 /nfs/dbraw/zinc/21/40/71/176214071.db2.gz DLCXWJMEAWIHHK-HNNXBMFYSA-N 1 0 260.425 3.038 10 0 CGAERO COc1ccc([C@@H](CO)[NH2+]C(C)C)cc1C(C)(C)C ZINC000071597954 176221648 /nfs/dbraw/zinc/22/16/48/176221648.db2.gz QXAKLZCJQJSXFQ-CQSZACIVSA-N 1 0 265.397 3.024 10 0 CGAERO COc1ccc([C@H](O)[C@H](C)[NH2+]C(C)C)cc1C(C)C ZINC000071597971 176221673 /nfs/dbraw/zinc/22/16/73/176221673.db2.gz LYYIJNHJLFZVPX-BLLLJJGKSA-N 1 0 265.397 3.239 10 0 CGAERO C[NH2+]Cc1ncc(-c2ccc(OC)c(Cl)c2)s1 ZINC000071600010 176225655 /nfs/dbraw/zinc/22/56/55/176225655.db2.gz FTMBSGDJWSUVQJ-UHFFFAOYSA-N 1 0 268.769 3.192 10 0 CGAERO CC[NH2+][C@H](C(=O)c1ccc(OC)c(Cl)c1)C(C)C ZINC000071600903 176227188 /nfs/dbraw/zinc/22/71/88/176227188.db2.gz QQBZYCIXMSQXNK-ZDUSSCGKSA-N 1 0 269.772 3.165 10 0 CGAERO OCCCC[N@@H+]1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000072154341 176328102 /nfs/dbraw/zinc/32/81/02/176328102.db2.gz JYYLXUCUBZKIFE-INIZCTEOSA-N 1 0 279.399 3.243 10 0 CGAERO [NH3+][C@H]1C[C@H]1c1cc(F)cc(F)c1OCc1ccccc1 ZINC000072171759 176332890 /nfs/dbraw/zinc/33/28/90/176332890.db2.gz FEABGXGNJUOXAX-WFASDCNBSA-N 1 0 275.298 3.358 10 0 CGAERO COc1ccc2c(c1)nc(C1CC[NH2+]CC1)n2C(C)C ZINC000074298118 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ZINC000076722409 177070081 /nfs/dbraw/zinc/07/00/81/177070081.db2.gz PFAVTWUGZXTUCU-MRVPVSSYSA-N 1 0 275.179 3.307 10 0 CGAERO Cc1ccc(NC(=O)CC[C@H](C)C[NH3+])cc1Br ZINC000076870282 177125537 /nfs/dbraw/zinc/12/55/37/177125537.db2.gz IHYJSXSMJNYVSD-VIFPVBQESA-N 1 0 299.212 3.071 10 0 CGAERO COCc1c(C[NH2+]C2CC2)oc2cc(C)cc(C)c21 ZINC000077071480 177187154 /nfs/dbraw/zinc/18/71/54/177187154.db2.gz RGLFKHMACWGFDE-UHFFFAOYSA-N 1 0 259.349 3.448 10 0 CGAERO [NH3+][C@@H]1CCC[C@@H](c2cccc(Br)c2)C1 ZINC000077607649 177284543 /nfs/dbraw/zinc/28/45/43/177284543.db2.gz HAVPPDZWTCEODW-ZYHUDNBSSA-N 1 0 254.171 3.434 10 0 CGAERO COc1cc(F)c([C@H](C)CC[NH2+]C2CC2)cc1F ZINC000077610182 177286692 /nfs/dbraw/zinc/28/66/92/177286692.db2.gz ALQMAEWMEODJFF-SECBINFHSA-N 1 0 255.308 3.219 10 0 CGAERO C[C@H](N[C@@H]1C[NH2+]C[C@@H](C)C1)c1ccc(Cl)s1 ZINC000401796452 416546789 /nfs/dbraw/zinc/54/67/89/416546789.db2.gz JRBKYFIXRZJMLZ-GUBZILKMSA-N 1 0 258.818 3.050 10 0 CGAERO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ncc(Cl)s1 ZINC000681165461 543771730 /nfs/dbraw/zinc/77/17/30/543771730.db2.gz BMUBGPONMFBWKO-NWDGAFQWSA-N 1 0 299.871 3.245 10 0 CGAERO COCc1nc(C[NH2+]CC(C)(C)C(C)C)cs1 ZINC000682088672 543825465 /nfs/dbraw/zinc/82/54/65/543825465.db2.gz XQVWPRAXVHJBIH-UHFFFAOYSA-N 1 0 256.415 3.061 10 0 CGAERO C[C@@H]1C[C@@H](C[NH2+]Cc2nc3c(s2)CCCC3)C[C@H](C)O1 ZINC000684931325 544041374 /nfs/dbraw/zinc/04/13/74/544041374.db2.gz JTJXYFPRTQDQCP-CLLJXQQHSA-N 1 0 294.464 3.315 10 0 CGAERO CC[NH+](CC)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000685960880 544111479 /nfs/dbraw/zinc/11/14/79/544111479.db2.gz GBFVKHNXLHCHGA-OAHLLOKOSA-N 1 0 270.417 3.118 10 0 CGAERO CC(C)(C)OC(=O)[C@]1(C[NH3+])CCC[C@H](C(F)(F)F)C1 ZINC000725245236 544112220 /nfs/dbraw/zinc/11/22/20/544112220.db2.gz SAIUNPVLIDCJIC-JOYOIKCWSA-N 1 0 281.318 3.026 10 0 CGAERO CC(C)(C)[C@@H]1CCCN(C(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000136187574 287480626 /nfs/dbraw/zinc/48/06/26/287480626.db2.gz OQLSRWZHCRGZFN-RHSMWYFYSA-N 1 0 280.456 3.193 10 0 CGAERO C[C@H](COCc1ccccc1)[NH2+][C@H]1CC[C@H](C)SC1 ZINC000655718555 419076112 /nfs/dbraw/zinc/07/61/12/419076112.db2.gz AYAHWPNSSQXDSG-YCPHGPKFSA-N 1 0 279.449 3.465 10 0 CGAERO Cc1c[nH]c(C[NH2+][C@@H]2CC[C@H](C)c3ccccc32)n1 ZINC000657415606 419273471 /nfs/dbraw/zinc/27/34/71/419273471.db2.gz MIZBFXZHAYBSJJ-XHDPSFHLSA-N 1 0 255.365 3.446 10 0 CGAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C(C)(C)C)C1(CO)CC1 ZINC000658161682 419624120 /nfs/dbraw/zinc/62/41/20/419624120.db2.gz UCDPPJMWEKNLDX-IHRRRGAJSA-N 1 0 253.430 3.342 10 0 CGAERO COc1ccc([C@@H](C)C[NH2+]C[C@H]2CCC(C)(C)O2)cc1 ZINC000189731523 287573884 /nfs/dbraw/zinc/57/38/84/287573884.db2.gz VADZINLZYZCORB-XJKSGUPXSA-N 1 0 277.408 3.346 10 0 CGAERO Cc1cccc(CC[C@H](C)[NH2+][C@H]2CCCC[C@@H]2CO)c1 ZINC000223857642 287631213 /nfs/dbraw/zinc/63/12/13/287631213.db2.gz MNGFLDKNBJPWBE-JQHSSLGASA-N 1 0 275.436 3.457 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1ccc2c(c1)CCC2 ZINC000223852861 287631221 /nfs/dbraw/zinc/63/12/21/287631221.db2.gz PZIQBRVRRCANQS-MORSLUCNSA-N 1 0 273.420 3.377 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)c1ccc(F)cc1 ZINC000037167108 270028678 /nfs/dbraw/zinc/02/86/78/270028678.db2.gz YZGPYPITQNXBNB-CZUORRHYSA-N 1 0 266.404 3.453 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CCc2ccccc2C1 ZINC000037321628 270029097 /nfs/dbraw/zinc/02/90/97/270029097.db2.gz XPYQOMHHGILWTH-ZWKOTPCHSA-N 1 0 274.452 3.110 10 0 CGAERO CC[NH+](CC)[C@@H](C)CNC(=O)CC(C)(C)c1ccccc1 ZINC000040652734 270029821 /nfs/dbraw/zinc/02/98/21/270029821.db2.gz CYFDSJQPFMCVCX-HNNXBMFYSA-N 1 0 290.451 3.201 10 0 CGAERO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000042337311 270032621 /nfs/dbraw/zinc/03/26/21/270032621.db2.gz NNUVVDRXJOJFSX-KKUMJFAQSA-N 1 0 276.424 3.339 10 0 CGAERO CC(C)Oc1ccc(NC(=O)[C@H]2CCC[C@H]2[NH3+])cc1Cl ZINC000085364177 270043584 /nfs/dbraw/zinc/04/35/84/270043584.db2.gz AJQIFMNRCVJLNC-WCQYABFASA-N 1 0 296.798 3.193 10 0 CGAERO CCCCCc1ccc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000085370865 270043598 /nfs/dbraw/zinc/04/35/98/270043598.db2.gz FNHRUXKVMXHGCA-HOTGVXAUSA-N 1 0 274.408 3.485 10 0 CGAERO c1ccc2[nH]c(NCC[NH2+]C3CCCCCC3)nc2c1 ZINC000105922406 270048101 /nfs/dbraw/zinc/04/81/01/270048101.db2.gz GPUKXLHGKMFDMD-UHFFFAOYSA-N 1 0 272.396 3.287 10 0 CGAERO CC(=O)N1CCC(C[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000108367606 270050652 /nfs/dbraw/zinc/05/06/52/270050652.db2.gz OMHGSWIUCCYJOS-DLBZAZTESA-N 1 0 294.483 3.439 10 0 CGAERO C[C@H]1C[N@H+](CCCc2cccc(F)c2)CCS1 ZINC000182746523 270054355 /nfs/dbraw/zinc/05/43/55/270054355.db2.gz KGXOLFPNHIHPCA-LBPRGKRZSA-N 1 0 253.386 3.196 10 0 CGAERO C[C@H]1C[NH+](CC2CCC(C(F)(F)F)CC2)C[C@H](C)O1 ZINC000185488081 270062808 /nfs/dbraw/zinc/06/28/08/270062808.db2.gz LFSOAUBQKRSBLO-ZSVAQUKISA-N 1 0 279.346 3.464 10 0 CGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)C12CCOCC2 ZINC000186503531 270066255 /nfs/dbraw/zinc/06/62/55/270066255.db2.gz BMCPOBNJJHMTDL-JZAWBGDQSA-N 1 0 295.467 3.375 10 0 CGAERO CCC(=O)N1CC[C@H]([NH2+][C@H]2CCCC[C@H]2C(C)(C)C)C1 ZINC000247231962 287735030 /nfs/dbraw/zinc/73/50/30/287735030.db2.gz XCARMTMVWBKFGB-ZNMIVQPWSA-N 1 0 280.456 3.192 10 0 CGAERO C[C@H](NC(=O)[C@H](C)[NH2+][C@H]1CCCC1(C)C)c1ccccc1 ZINC000249042011 287798510 /nfs/dbraw/zinc/79/85/10/287798510.db2.gz NCMOZGKPKFQDCJ-DZKIICNBSA-N 1 0 288.435 3.421 10 0 CGAERO C(C1CCC1)[N@@H+]1CCC[C@H]1c1nc2c([nH]1)CCCC2 ZINC000328626093 275389283 /nfs/dbraw/zinc/38/92/83/275389283.db2.gz DVASYAWYRKJDOC-HNNXBMFYSA-N 1 0 259.397 3.226 10 0 CGAERO CC(C)CCCNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000119959026 275561995 /nfs/dbraw/zinc/56/19/95/275561995.db2.gz KNPKVWMYHBLWQH-MRXNPFEDSA-N 1 0 291.439 3.025 10 0 CGAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@H]2O)CC(C)(C)C1 ZINC000252171657 287839577 /nfs/dbraw/zinc/83/95/77/287839577.db2.gz RGQNRMPCTNXOSJ-CBBWQLFWSA-N 1 0 253.430 3.342 10 0 CGAERO CC(C)(C)OC(=O)N1CCC([C@@H]2CCC[C@@H]([NH3+])C2)CC1 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ALJWSNPXPFXWMA-AVOUXACISA-N 1 0 262.397 3.336 10 0 CGAERO CC[NH2+]C1CCN([C@@H](CC)c2cccs2)CC1 ZINC000049530930 519909282 /nfs/dbraw/zinc/90/92/82/519909282.db2.gz VWJZMUUMYKFIJE-ZDUSSCGKSA-N 1 0 252.427 3.273 10 0 CGAERO CCC[NH2+]C[C@@H](C(C)C)N1CCc2sccc2C1 ZINC000052382837 519920709 /nfs/dbraw/zinc/92/07/09/519920709.db2.gz BDPJRSNMLKNONX-AWEZNQCLSA-N 1 0 266.454 3.130 10 0 CGAERO CCC[NH2+]C[C@@H](Cc1cnn(CC)c1)CC(C)C ZINC000052968169 519921704 /nfs/dbraw/zinc/92/17/04/519921704.db2.gz XPDRXBYOUMNQMI-CQSZACIVSA-N 1 0 251.418 3.107 10 0 CGAERO CC[NH2+]C[C@@H](C)c1nc(-c2ccccc2Cl)no1 ZINC000061220761 519944680 /nfs/dbraw/zinc/94/46/80/519944680.db2.gz MMGYLRGEDSBUFP-SECBINFHSA-N 1 0 265.744 3.103 10 0 CGAERO CC[NH2+]C[C@H](C(C)C)N(C)Cc1cccc(Cl)c1 ZINC000052507861 519957589 /nfs/dbraw/zinc/95/75/89/519957589.db2.gz BUUBETQUPRBEEY-OAHLLOKOSA-N 1 0 268.832 3.406 10 0 CGAERO CCC[NH2+]Cc1nc2c(s1)CCc1sccc1-2 ZINC000061326207 519967064 /nfs/dbraw/zinc/96/70/64/519967064.db2.gz 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RGQJDBMBNLSEAB-AWEZNQCLSA-N 1 0 278.396 3.354 10 0 CGAERO CC[NH2+][C@H]1CCN([C@@H](C)c2ccccc2Cl)C1 ZINC000049509020 520215857 /nfs/dbraw/zinc/21/58/57/520215857.db2.gz XZWIVYOTDJTIPJ-RYUDHWBXSA-N 1 0 252.789 3.085 10 0 CGAERO CCCOc1ccc([C@@H]([NH3+])Cc2ccncc2)cc1 ZINC000055264710 520417120 /nfs/dbraw/zinc/41/71/20/520417120.db2.gz SZCLUFLPQMDTEG-INIZCTEOSA-N 1 0 256.349 3.113 10 0 CGAERO CCN(CC(F)(F)F)c1nc2c(s1)[C@H]([NH2+]C)CCC2 ZINC000054906116 520423608 /nfs/dbraw/zinc/42/36/08/520423608.db2.gz JCKCBTZOSDMOOB-MRVPVSSYSA-N 1 0 293.358 3.129 10 0 CGAERO CCC[C@@H](NC(=O)CCCCC[NH3+])c1cccs1 ZINC000049547008 520728045 /nfs/dbraw/zinc/72/80/45/520728045.db2.gz GNPWIQDDACAETH-GFCCVEGCSA-N 1 0 268.426 3.225 10 0 CGAERO CCCCOCCO[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH2+]C ZINC000054556535 520790798 /nfs/dbraw/zinc/79/07/98/520790798.db2.gz WDIZYSMZGAVASC-OWCLPIDISA-N 1 0 271.445 3.232 10 0 CGAERO CCCCOCCOc1ccc([C@@H]([NH3+])CC)cc1 ZINC000049261379 520793870 /nfs/dbraw/zinc/79/38/70/520793870.db2.gz 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CC[NH2+]C1CCN(c2cc(Br)ccc2C)CC1 ZINC000037635844 535451384 /nfs/dbraw/zinc/45/13/84/535451384.db2.gz KDWBNCSOXYVAAT-UHFFFAOYSA-N 1 0 297.240 3.336 10 0 CGAERO CC[C@H]1C[NH2+][C@H](C)CN1c1cccc(C(F)(F)F)c1 ZINC000083535422 536169684 /nfs/dbraw/zinc/16/96/84/536169684.db2.gz MPQCJZZIHVTOER-PWSUYJOCSA-N 1 0 272.314 3.282 10 0 CGAERO C[NH2+][C@H](C)CCCCN1C[C@@H](C)Cc2ccccc21 ZINC000103984713 536389366 /nfs/dbraw/zinc/38/93/66/536389366.db2.gz RBHBWLGWBPYAJF-LSDHHAIUSA-N 1 0 260.425 3.463 10 0 CGAERO COC[C@@H]([NH2+][C@H]1CCCCc2ccccc21)C1CC1 ZINC000397490915 572489263 /nfs/dbraw/zinc/48/92/63/572489263.db2.gz ZZSWICLUFOOGRO-DLBZAZTESA-N 1 0 259.393 3.469 10 0 CGAERO CC(C)c1ccc([C@@H](C)NC(=O)CCCC[NH3+])cc1 ZINC000070202002 572617050 /nfs/dbraw/zinc/61/70/50/572617050.db2.gz GQSKDYBRDGHFRK-CYBMUJFWSA-N 1 0 262.397 3.116 10 0 CGAERO C[C@@H](NC(=O)CCCC[NH3+])c1ccc(Cl)cc1Cl ZINC000070201621 572617249 /nfs/dbraw/zinc/61/72/49/572617249.db2.gz APXFAAGFAVGUGG-SECBINFHSA-N 1 0 289.206 3.300 10 0 CGAERO Cc1ccc([C@H]2C[NH2+]C[C@H]2C(=O)OC(C)(C)C)cc1Cl ZINC000757183784 617835490 /nfs/dbraw/zinc/83/54/90/617835490.db2.gz GVFUPMWCZONENN-CHWSQXEVSA-N 1 0 295.810 3.293 10 0 CGAERO C[C@H](C[NH2+][C@@H]1CCCC1(C)C)N(C)C(=O)OC(C)(C)C ZINC000309966536 619048087 /nfs/dbraw/zinc/04/80/87/619048087.db2.gz FNNJIXYWLFCAML-CHWSQXEVSA-N 1 0 284.444 3.410 10 0 CGAERO C[C@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C)C1CC1 ZINC000187754427 619134004 /nfs/dbraw/zinc/13/40/04/619134004.db2.gz KSDJXTCVHVYAAJ-SCRDCRAPSA-N 1 0 282.428 3.163 10 0 CGAERO CC1(C)COC[C@@H]1[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000313014609 619161603 /nfs/dbraw/zinc/16/16/03/619161603.db2.gz DUAWPINGASCKAX-ZFWWWQNUSA-N 1 0 275.392 3.303 10 0 CGAERO CCCCc1ccc(N(C)C(=O)[C@@H]([NH3+])CCC)cc1 ZINC000236889761 619219491 /nfs/dbraw/zinc/21/94/91/619219491.db2.gz BQQXMMQIUJMFOV-HNNXBMFYSA-N 1 0 262.397 3.119 10 0 CGAERO CCC[C@H]([NH3+])C(=O)N1CCCc2cc(C(C)C)ccc21 ZINC000236806161 619241564 /nfs/dbraw/zinc/24/15/64/619241564.db2.gz CFLJTUDZHCYCDO-HNNXBMFYSA-N 1 0 274.408 3.217 10 0 CGAERO CCCCCC(C)(C)CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000094988598 619267794 /nfs/dbraw/zinc/26/77/94/619267794.db2.gz AARHRYRLISCTFL-UONOGXRCSA-N 1 0 268.445 3.084 10 0 CGAERO CCON1CCC([NH2+][C@H](C)c2cc(F)ccc2F)CC1 ZINC000323116872 620532095 /nfs/dbraw/zinc/53/20/95/620532095.db2.gz JNNXUOGUNSNNTJ-LLVKDONJSA-N 1 0 284.350 3.031 10 0 CGAERO Fc1cc(-c2nc(C[C@H]3CCC[NH2+]C3)no2)ccc1Cl ZINC000225430173 622910796 /nfs/dbraw/zinc/91/07/96/622910796.db2.gz JJIHZLZUCCNSQA-SECBINFHSA-N 1 0 295.745 3.071 10 0 CGAERO C[C@H]1CC[C@@H]([NH2+]C2CCS(=O)CC2)c2ccccc21 ZINC000158007234 622992890 /nfs/dbraw/zinc/99/28/90/622992890.db2.gz WGZONJRBQDOOOI-WRSNBSSQSA-N 1 0 277.433 3.126 10 0 CGAERO CCC(CC)C[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000230167270 623214225 /nfs/dbraw/zinc/21/42/25/623214225.db2.gz JCNHKIXJOWHBQO-CQSZACIVSA-N 1 0 284.444 3.269 10 0 CGAERO Cc1cnc([C@@H](C)[NH2+][C@@H](C)Cc2cccc(F)c2)o1 ZINC000231901049 623349318 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HDGQBOPQQPCTKF-LSDHHAIUSA-N 1 0 266.816 3.302 10 0 CGAERO CC(C)OC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295065624 199326215 /nfs/dbraw/zinc/32/62/15/199326215.db2.gz CDXUGVXTZABBNT-ZBFHGGJFSA-N 1 0 290.407 3.032 10 0 CGAERO Cc1cc(C)c(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)cc1C ZINC000188412657 542247660 /nfs/dbraw/zinc/24/76/60/542247660.db2.gz KOSNNJBXYFWUGW-GOSISDBHSA-N 1 0 283.419 3.473 10 0 CGAERO C[C@H](COCc1ccccc1)[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000623901021 349910624 /nfs/dbraw/zinc/91/06/24/349910624.db2.gz YCCYTBOWDHPFQM-INMHGKMJSA-N 1 0 277.408 3.139 10 0 CGAERO O[C@@H]1C2CC[NH+](CC2)[C@@H]1C(c1ccccc1)c1ccccc1 ZINC000001688606 344856223 /nfs/dbraw/zinc/85/62/23/344856223.db2.gz GKIOTMSOXQMART-WOJBJXKFSA-N 1 0 293.410 3.274 10 0 CGAERO CN1CC[N@@H+]2CCc3ccccc3[C@@H]2c2ccccc21 ZINC000002016898 344857358 /nfs/dbraw/zinc/85/73/58/344857358.db2.gz KBFMNITYIDHUPK-GOSISDBHSA-N 1 0 264.372 3.084 10 0 CGAERO CC[NH+](CC)CCCNc1cc2ccccc2cn1 ZINC000032239311 344930299 /nfs/dbraw/zinc/93/02/99/344930299.db2.gz NEBSVAHHFQOFLP-UHFFFAOYSA-N 1 0 257.381 3.379 10 0 CGAERO CC(C)[NH2+]CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000040414329 344962404 /nfs/dbraw/zinc/96/24/04/344962404.db2.gz VKXPVMCWCFCTOP-SECBINFHSA-N 1 0 289.206 3.169 10 0 CGAERO CNc1cc(C)[nH+]c2c(Br)cccc12 ZINC000041474721 344970489 /nfs/dbraw/zinc/97/04/89/344970489.db2.gz FLBITTISCHTYEX-UHFFFAOYSA-N 1 0 251.127 3.347 10 0 CGAERO C[NH2+][C@H]1CCC[C@@H]1Cc1ccc(Br)s1 ZINC000042398851 344982853 /nfs/dbraw/zinc/98/28/53/344982853.db2.gz GTZVQBZWMORWSB-SCZZXKLOSA-N 1 0 274.227 3.441 10 0 CGAERO C[N@H+](CCCCc1ccccc1)C[C@@H](O)COC(C)(C)C ZINC000052037477 345096380 /nfs/dbraw/zinc/09/63/80/345096380.db2.gz DYAQQRRXCACJID-QGZVFWFLSA-N 1 0 293.451 3.117 10 0 CGAERO CC(C)C(=[NH2+])NCc1ccccc1Br ZINC000062992816 345242498 /nfs/dbraw/zinc/24/24/98/345242498.db2.gz OIAGZBWEGFQPHL-UHFFFAOYSA-N 1 0 255.159 3.172 10 0 CGAERO [NH3+][C@@H]1CC[C@H](Cc2ccc(Br)s2)C1 ZINC000070741214 345393943 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ZINC000114153429 345963827 /nfs/dbraw/zinc/96/38/27/345963827.db2.gz RIKSIGXHAPRYJB-QGZVFWFLSA-N 1 0 283.419 3.394 10 0 CGAERO Cc1cnn(CC[NH2+][C@@H]2CCCCc3ccccc32)c1 ZINC000174850626 232307466 /nfs/dbraw/zinc/30/74/66/232307466.db2.gz MBQHSMYKTINVSD-QGZVFWFLSA-N 1 0 269.392 3.249 10 0 CGAERO C[C@H](CCC1CCCCC1)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000115848101 345973723 /nfs/dbraw/zinc/97/37/23/345973723.db2.gz NZAHFUICNAGTPN-GDBMZVCRSA-N 1 0 295.471 3.081 10 0 CGAERO [NH3+]Cc1c(-c2ccccc2Cl)ccc2cncnc21 ZINC000117748469 345985577 /nfs/dbraw/zinc/98/55/77/345985577.db2.gz LKXBSBRFCRAWBL-UHFFFAOYSA-N 1 0 269.735 3.409 10 0 CGAERO FC(F)(F)c1cccc([C@]2(C(F)(F)F)CC[NH2+]C2)c1 ZINC000118237338 345987579 /nfs/dbraw/zinc/98/75/79/345987579.db2.gz COOLEAUCLZUGDL-JTQLQIEISA-N 1 0 283.215 3.499 10 0 CGAERO C[NH2+][C@H](c1cccc(F)c1Br)C1CC1 ZINC000129733622 346052291 /nfs/dbraw/zinc/05/22/91/346052291.db2.gz QXBOMWAAFGOMQJ-NSHDSACASA-N 1 0 258.134 3.259 10 0 CGAERO Cc1cc(C[C@@H]2CCC[NH2+]2)ccc1Br ZINC000134341819 346080777 /nfs/dbraw/zinc/08/07/77/346080777.db2.gz NPCAXXGYJGYZNX-NSHDSACASA-N 1 0 254.171 3.052 10 0 CGAERO CN(C(=O)CC[C@H]([NH3+])C1CCCCC1)C1CCCCC1 ZINC000139062755 346099066 /nfs/dbraw/zinc/09/90/66/346099066.db2.gz KALZUVKVXMYLDP-INIZCTEOSA-N 1 0 280.456 3.465 10 0 CGAERO C[C@@H](NC(=O)N1CC[NH+](C2CCCCC2)CC1)C(C)(C)C ZINC000140187794 346102822 /nfs/dbraw/zinc/10/28/22/346102822.db2.gz ZQRYJXIVJDBWGP-CQSZACIVSA-N 1 0 295.471 3.081 10 0 CGAERO CC(C)=C[C@H]([NH3+])c1csc(I)c1 ZINC000131216033 346064444 /nfs/dbraw/zinc/06/44/44/346064444.db2.gz AABMKMJIRSMFAX-QMMMGPOBSA-N 1 0 293.173 3.319 10 0 CGAERO COC(=O)c1cccc(C[NH2+][C@@H](C)c2cccc(F)c2)c1 ZINC000143520160 346114246 /nfs/dbraw/zinc/11/42/46/346114246.db2.gz KMRQUEBMPWHMTG-LBPRGKRZSA-N 1 0 287.334 3.463 10 0 CGAERO O[C@@]12CCCC[C@@H]1CCC[C@@H]2[NH2+]CCc1ccccc1 ZINC000144539819 346118156 /nfs/dbraw/zinc/11/81/56/346118156.db2.gz BICKQITZHPUQQU-SQNIBIBYSA-N 1 0 273.420 3.293 10 0 CGAERO C[C@H]([NH3+])c1ccc(NC(=O)OC(C)(C)C)c(F)c1 ZINC000145305132 346120460 /nfs/dbraw/zinc/12/04/60/346120460.db2.gz YYNUWGLDDMJVAP-QMMMGPOBSA-N 1 0 254.305 3.192 10 0 CGAERO C[C@H]1CN(c2nc3ccc(Cl)cc3s2)C[C@H](C)[NH2+]1 ZINC000145797082 346121768 /nfs/dbraw/zinc/12/17/68/346121768.db2.gz FRFJMBZGMFHBJA-IUCAKERBSA-N 1 0 281.812 3.136 10 0 CGAERO C[NH2+]C[C@H]1Cc2cccc(-c3ccc(F)cc3F)c2O1 ZINC000146073909 346122056 /nfs/dbraw/zinc/12/20/56/346122056.db2.gz RMEISZIBLKKHOB-GFCCVEGCSA-N 1 0 275.298 3.155 10 0 CGAERO C[NH2+]C[C@@H]1Cc2cccc(-c3cc(C)ccc3C)c2O1 ZINC000146123253 346122198 /nfs/dbraw/zinc/12/21/98/346122198.db2.gz OWYCJXMJIWHAOH-HNNXBMFYSA-N 1 0 267.372 3.493 10 0 CGAERO [NH3+][C@H]1CC[C@@](F)(Cc2sccc2Br)C1 ZINC000158311450 346164260 /nfs/dbraw/zinc/16/42/60/346164260.db2.gz KTEGNQRIMQJEIG-XVKPBYJWSA-N 1 0 278.190 3.273 10 0 CGAERO C[C@@H]1CCN[C@@]2(CCC[N@H+](Cc3ccccc3)C2)S1 ZINC000159173974 346167036 /nfs/dbraw/zinc/16/70/36/346167036.db2.gz LROKDMHBHNJSQO-ZBFHGGJFSA-N 1 0 276.449 3.094 10 0 CGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cc(F)ccc2Cl)C1 ZINC000171227335 346205057 /nfs/dbraw/zinc/20/50/57/346205057.db2.gz GAOTUJVKSXKLGL-LLVKDONJSA-N 1 0 299.777 3.085 10 0 CGAERO CC[C@@H]1SCc2ccc(Br)cc2[C@H]1[NH3+] ZINC000162814798 346180162 /nfs/dbraw/zinc/18/01/62/346180162.db2.gz CZSJRQSECXPZFE-WDEREUQCSA-N 1 0 272.211 3.474 10 0 CGAERO [NH3+][C@@H](c1cscc1Br)[C@@H]1CCSC1 ZINC000164396627 346182373 /nfs/dbraw/zinc/18/23/73/346182373.db2.gz KNFJGFBITFRHAS-HZGVNTEJSA-N 1 0 278.240 3.264 10 0 CGAERO C[N@H+]1Cc2ccccc2[C@@H](c2ccc3nccnc3c2)C1 ZINC000164865941 346183254 /nfs/dbraw/zinc/18/32/54/346183254.db2.gz WKGTXIDZJLADLA-MRXNPFEDSA-N 1 0 275.355 3.207 10 0 CGAERO CC(C)C[C@H]([NH3+])c1ccccc1I ZINC000169270032 346192533 /nfs/dbraw/zinc/19/25/33/346192533.db2.gz VTPMAYJBESOSTA-NSHDSACASA-N 1 0 289.160 3.337 10 0 CGAERO COc1ccc([C@H]2C[C@H]([NH3+])c3ccccc3N2)cc1OC ZINC000097758147 185662825 /nfs/dbraw/zinc/66/28/25/185662825.db2.gz QLDVOHTWZFLWFU-DZGCQCFKSA-N 1 0 284.359 3.261 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[NH3+]Cc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccn1 ZINC000129922963 138398607 /nfs/dbraw/zinc/39/86/07/138398607.db2.gz CTKPKCYTPFXNPM-UHFFFAOYSA-N 1 0 296.157 3.099 10 0 CGAERO C[C@@H](C(=O)Nc1ccccc1F)[C@@H]([NH3+])c1ccccc1 ZINC000130069523 138399209 /nfs/dbraw/zinc/39/92/09/138399209.db2.gz MJFCQVHWTMMVNP-IAQYHMDHSA-N 1 0 272.323 3.100 10 0 CGAERO CN1c2ccccc2[C@H]([NH2+][C@@H]2CCCC2(C)C)CC1=O ZINC000094321381 283266704 /nfs/dbraw/zinc/26/67/04/283266704.db2.gz KEEGQSXKDNCKPR-UKRRQHHQSA-N 1 0 272.392 3.263 10 0 CGAERO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1ccsc1 ZINC000294418332 199032262 /nfs/dbraw/zinc/03/22/62/199032262.db2.gz NUUXWXLOMHYRFQ-KWCYVHTRSA-N 1 0 253.411 3.340 10 0 CGAERO COC[C@H](C)[NH2+]CCOc1ccc(C(C)C)c(C)c1 ZINC000049799927 571980103 /nfs/dbraw/zinc/98/01/03/571980103.db2.gz DMJCPZYTEQSDHR-AWEZNQCLSA-N 1 0 265.397 3.122 10 0 CGAERO CC(=O)NCCC[NH2+][C@H](c1ccccc1)c1ccccc1C ZINC000180035465 189233923 /nfs/dbraw/zinc/23/39/23/189233923.db2.gz AEYMPQBINXKCMM-LJQANCHMSA-N 1 0 296.414 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CC(C)[C@H](C)CC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000170812228 372666613 /nfs/dbraw/zinc/66/66/13/372666613.db2.gz ZWFIXLZVFLCCLB-OAHLLOKOSA-N 1 0 280.456 3.003 10 0 CGAERO Cc1cnccc1C[NH2+][C@@H](C)COCc1ccccc1 ZINC000295644748 372859674 /nfs/dbraw/zinc/85/96/74/372859674.db2.gz IKNROEJJBXMWLL-HNNXBMFYSA-N 1 0 270.376 3.085 10 0 CGAERO Cc1nc(C[C@@H]2CCC[N@@H+](C[C@@H](C)c3ccccc3)C2)no1 ZINC000172013289 372884351 /nfs/dbraw/zinc/88/43/51/372884351.db2.gz KRAIRWHWHPVUJS-ZBFHGGJFSA-N 1 0 299.418 3.436 10 0 CGAERO C[C@H]([NH3+])[C@@H]1CCCN(c2nc(C3CCCCC3)ns2)C1 ZINC000333338698 205230947 /nfs/dbraw/zinc/23/09/47/205230947.db2.gz XPNCZNHONSTZCC-WCQYABFASA-N 1 0 294.468 3.149 10 0 CGAERO C[C@H]([NH2+]C[C@H]1CCN(C)c2ccccc21)c1ccncc1 ZINC000173983684 373228357 /nfs/dbraw/zinc/22/83/57/373228357.db2.gz XIEOJKGWXOTRSZ-GOEBONIOSA-N 1 0 281.403 3.356 10 0 CGAERO C[C@H](NC1CC[NH+](CC2CCCC2)CC1)c1ccncc1 ZINC000174013686 373232284 /nfs/dbraw/zinc/23/22/84/373232284.db2.gz RBAPEUNQIOAASO-HNNXBMFYSA-N 1 0 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UYSVFVIPAYFWMO-LQKXBSAESA-N 1 0 280.456 3.225 10 0 CGAERO Nc1c2cc(Br)ccc2[nH+]c2c1CCCC2 ZINC000002003383 169766839 /nfs/dbraw/zinc/76/68/39/169766839.db2.gz HUWWFDOJYOUTTO-UHFFFAOYSA-N 1 0 277.165 3.458 10 0 CGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1nc(C(C)(C)C)cs1 ZINC000122680479 287211596 /nfs/dbraw/zinc/21/15/96/287211596.db2.gz XOOHCCUDYYYSMO-ZDUSSCGKSA-N 1 0 295.496 3.357 10 0 CGAERO CC(C)c1ccc([C@H](C)[NH2+]C[C@H](C)N2CCOCC2)cc1 ZINC000123217278 287217056 /nfs/dbraw/zinc/21/70/56/287217056.db2.gz NRSIPXVRUCVXIM-HOTGVXAUSA-N 1 0 290.451 3.181 10 0 CGAERO COc1ccc([C@H](C)[NH2+]CCCCCF)cc1OC ZINC000284194363 195999918 /nfs/dbraw/zinc/99/99/18/195999918.db2.gz SCUWPAAYYGQYIE-LBPRGKRZSA-N 1 0 269.360 3.494 10 0 CGAERO C[C@H]([NH2+]Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000005503432 170104994 /nfs/dbraw/zinc/10/49/94/170104994.db2.gz AVEKJBAIATUUPX-LBPRGKRZSA-N 1 0 251.333 3.414 10 0 CGAERO CC(C)c1ccc(CSc2nc(N)cc(N)[nH+]2)cc1 ZINC000006831855 170247882 /nfs/dbraw/zinc/24/78/82/170247882.db2.gz OBPCTHIOAYFDJX-UHFFFAOYSA-N 1 0 274.393 3.057 10 0 CGAERO CCOc1ccc([C@@H]([NH3+])c2ccc(OC)cc2)cc1 ZINC000008324402 170331028 /nfs/dbraw/zinc/33/10/28/170331028.db2.gz LCWLOHCNFILEMD-INIZCTEOSA-N 1 0 257.333 3.142 10 0 CGAERO COCCOc1ccc([C@H]([NH3+])C2CCCCC2)cc1 ZINC000009245977 170368192 /nfs/dbraw/zinc/36/81/92/170368192.db2.gz MXCPAKSFISFQIT-MRXNPFEDSA-N 1 0 263.381 3.292 10 0 CGAERO CCCCOCCC[NH2+]Cc1cccc(OC)c1OCC ZINC000013719844 170581468 /nfs/dbraw/zinc/58/14/68/170581468.db2.gz PPJGKHYLFVDLJP-UHFFFAOYSA-N 1 0 295.423 3.390 10 0 CGAERO CCn1nccc1C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000125335503 287243154 /nfs/dbraw/zinc/24/31/54/287243154.db2.gz LYIQSEZROFKQIC-FVQBIDKESA-N 1 0 263.429 3.453 10 0 CGAERO CCC[C@@H]([NH3+])[C@@H](CC)Oc1ccc(C)cc1OC ZINC000019270550 170766863 /nfs/dbraw/zinc/76/68/63/170766863.db2.gz VSYMZLJYROGDNH-CHWSQXEVSA-N 1 0 251.370 3.288 10 0 CGAERO COc1cc(C)ccc1OCc1ccc(C[NH3+])cc1 ZINC000019401880 170785061 /nfs/dbraw/zinc/78/50/61/170785061.db2.gz XOFBZYNXDSRJBN-UHFFFAOYSA-N 1 0 257.333 3.041 10 0 CGAERO Cc1cccc(C)c1OCc1ccccc1C(N)=[NH2+] ZINC000019430634 170797160 /nfs/dbraw/zinc/79/71/60/170797160.db2.gz DVJQEGFOIDGPSG-UHFFFAOYSA-N 1 0 254.333 3.167 10 0 CGAERO CCc1cccc(NC(=O)[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000019810001 170878878 /nfs/dbraw/zinc/87/88/78/170878878.db2.gz BCNBUDBXBXRLPD-CWRNSKLLSA-N 1 0 272.392 3.108 10 0 CGAERO NC(=[NH2+])c1ccccc1CSCc1ccccc1 ZINC000019848018 170897160 /nfs/dbraw/zinc/89/71/60/170897160.db2.gz GPOMSSWHFMFAFY-UHFFFAOYSA-N 1 0 256.374 3.404 10 0 CGAERO [NH3+][C@H](Cc1ccc(F)cc1)c1ccc(F)cc1F ZINC000019968955 170951183 /nfs/dbraw/zinc/95/11/83/170951183.db2.gz QLIMTBOIKLGDHY-CQSZACIVSA-N 1 0 251.251 3.346 10 0 CGAERO COc1cc([C@H]([NH3+])c2ccc(F)cc2F)ccc1C ZINC000019969018 170951718 /nfs/dbraw/zinc/95/17/18/170951718.db2.gz XGBYSWNGXFXFLN-HNNXBMFYSA-N 1 0 263.287 3.330 10 0 CGAERO CC(C)[C@@H](CN[C@@H](C)c1ccccc1F)[NH+](C)C ZINC000020145639 171031109 /nfs/dbraw/zinc/03/11/09/171031109.db2.gz KPTWNEKVLSDALK-SWLSCSKDSA-N 1 0 252.377 3.063 10 0 CGAERO CC[C@H]([NH2+]C[C@H](C(C)C)N(C)C)c1cccs1 ZINC000020145960 171031650 /nfs/dbraw/zinc/03/16/50/171031650.db2.gz SBVWCVUHNYLOIR-QWHCGFSZSA-N 1 0 254.443 3.375 10 0 CGAERO CSc1ccc(C[NH2+]C[C@H](C(C)C)N(C)C)cc1 ZINC000020145930 171032035 /nfs/dbraw/zinc/03/20/35/171032035.db2.gz VQMQOWWGAAGTIV-OAHLLOKOSA-N 1 0 266.454 3.084 10 0 CGAERO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCO2)cc1F ZINC000020177178 171042843 /nfs/dbraw/zinc/04/28/43/171042843.db2.gz ZOLQUXHIKZPALC-AAEUAGOBSA-N 1 0 267.344 3.054 10 0 CGAERO [NH3+][C@H](CC(=O)NCc1ccc(Cl)cc1)c1ccccc1 ZINC000020210213 171073884 /nfs/dbraw/zinc/07/38/84/171073884.db2.gz OMWJWNCVFYRHAP-OAHLLOKOSA-N 1 0 288.778 3.046 10 0 CGAERO Cc1cccc(CN(C)[C@@H](C[NH3+])c2ccc(F)cc2)c1 ZINC000020225650 171088071 /nfs/dbraw/zinc/08/80/71/171088071.db2.gz WSYGHVKCILTVSH-KRWDZBQOSA-N 1 0 272.367 3.266 10 0 CGAERO Cc1ccc([C@@H](C[NH3+])N(C)Cc2ccccc2F)cc1 ZINC000020225547 171088243 /nfs/dbraw/zinc/08/82/43/171088243.db2.gz BKUNQJZKTSACLJ-QGZVFWFLSA-N 1 0 272.367 3.266 10 0 CGAERO Cc1cccc([C@@H](C[NH3+])N(C)Cc2ccc(F)cc2)c1 ZINC000020225495 171088716 /nfs/dbraw/zinc/08/87/16/171088716.db2.gz QQFXGJRZJGNWQW-QGZVFWFLSA-N 1 0 272.367 3.266 10 0 CGAERO CCOc1cccc([C@H](C[NH3+])N(C)CC(C)(C)C)c1 ZINC000020226211 171090488 /nfs/dbraw/zinc/09/04/88/171090488.db2.gz QBCFXWJIGXSLBN-HNNXBMFYSA-N 1 0 264.413 3.063 10 0 CGAERO CC(C)CC(=O)N(CCC[NH3+])c1ccccc1Cl ZINC000020233317 171095483 /nfs/dbraw/zinc/09/54/83/171095483.db2.gz RPBLWHWQWTVHPF-UHFFFAOYSA-N 1 0 268.788 3.068 10 0 CGAERO [NH3+]C[C@H](c1cccc(F)c1)N1CCCCCCC1 ZINC000020265224 171122971 /nfs/dbraw/zinc/12/29/71/171122971.db2.gz MFIVUSHRDSUAEL-OAHLLOKOSA-N 1 0 250.361 3.092 10 0 CGAERO C[C@@H]([NH2+]Cc1ccc(Cl)cc1)C(=O)N1CCCCCC1 ZINC000020312074 171144781 /nfs/dbraw/zinc/14/47/81/171144781.db2.gz XOHWAWZXAAEYNV-CYBMUJFWSA-N 1 0 294.826 3.221 10 0 CGAERO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000020366123 171164514 /nfs/dbraw/zinc/16/45/14/171164514.db2.gz VCEUCPHCRDUFOI-GZBLMMOJSA-N 1 0 268.445 3.094 10 0 CGAERO [NH3+]Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1 ZINC000020390821 171179546 /nfs/dbraw/zinc/17/95/46/171179546.db2.gz JIIPDGCDSZFVMH-UHFFFAOYSA-N 1 0 267.307 3.137 10 0 CGAERO [NH3+][C@H](Cc1ccccn1)c1cccc(Br)c1 ZINC000020428954 171194167 /nfs/dbraw/zinc/19/41/67/171194167.db2.gz OTZNFWPXRDGWQT-CYBMUJFWSA-N 1 0 277.165 3.087 10 0 CGAERO [NH3+][C@@H](Cc1ccccn1)c1ccc(Br)cc1F ZINC000020429184 171194679 /nfs/dbraw/zinc/19/46/79/171194679.db2.gz GJWDTNDYKQUURT-ZDUSSCGKSA-N 1 0 295.155 3.226 10 0 CGAERO CCCC[C@H](CC)[C@H]([NH3+])c1ccc2c(c1)CC(=O)N2 ZINC000020482498 171222960 /nfs/dbraw/zinc/22/29/60/171222960.db2.gz HHJXKBPYAKYJQD-ZBEGNZNMSA-N 1 0 260.381 3.397 10 0 CGAERO CC[N@H+](Cc1ccccc1)Cc1cccc(C(N)=S)c1 ZINC000020486420 171225346 /nfs/dbraw/zinc/22/53/46/171225346.db2.gz DWHJYLDYFCBLFZ-UHFFFAOYSA-N 1 0 284.428 3.343 10 0 CGAERO [NH3+]Cc1c(Cl)cccc1OCC(F)(F)C(F)F ZINC000020518338 171233282 /nfs/dbraw/zinc/23/32/82/171233282.db2.gz IZIUIHUOAHJFPD-UHFFFAOYSA-N 1 0 271.641 3.078 10 0 CGAERO COC(C)(C)C[C@H](C)[NH2+]C[C@H](c1cccs1)N(C)C ZINC000020524698 171237791 /nfs/dbraw/zinc/23/77/91/171237791.db2.gz QZRXFHQACDIZSK-QWHCGFSZSA-N 1 0 284.469 3.144 10 0 CGAERO CCC[NH2+]CCCOc1ccc(OCCC)cc1 ZINC000020525458 171238202 /nfs/dbraw/zinc/23/82/02/171238202.db2.gz DVNWSXQPDKIYRW-UHFFFAOYSA-N 1 0 251.370 3.244 10 0 CGAERO Nc1c[nH+]ccc1Nc1ccccc1Br ZINC000020585535 171259059 /nfs/dbraw/zinc/25/90/59/171259059.db2.gz OTXPAHNXNZPCOZ-UHFFFAOYSA-N 1 0 264.126 3.170 10 0 CGAERO CCN(c1ccccc1C)[C@@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000021008751 171285535 /nfs/dbraw/zinc/28/55/35/171285535.db2.gz VSHWPMNKEGCWKQ-MSOLQXFVSA-N 1 0 266.388 3.446 10 0 CGAERO CCN(c1ccccc1C)[C@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000021008752 171285606 /nfs/dbraw/zinc/28/56/06/171285606.db2.gz VSHWPMNKEGCWKQ-ROUUACIJSA-N 1 0 266.388 3.446 10 0 CGAERO C[C@H]1CCC[N@H+](C[C@@H](N)C23CC4CC(CC(C4)C2)C3)C1 ZINC000021501630 171305961 /nfs/dbraw/zinc/30/59/61/171305961.db2.gz RECBTJSNEOPBPS-QCAJKXFRSA-N 1 0 276.468 3.262 10 0 CGAERO C[C@@H]1CCCC[N@@H+]1CCCC(=O)Nc1ccc(F)c(N)c1 ZINC000022151316 171358587 /nfs/dbraw/zinc/35/85/87/171358587.db2.gz BFNSTNRZDWGJAW-GFCCVEGCSA-N 1 0 293.386 3.001 10 0 CGAERO C[C@@H](C(=O)Nc1ccc(Cl)c(N)c1)[N@@H+]1CCCC[C@@H]1C ZINC000022153295 171360125 /nfs/dbraw/zinc/36/01/25/171360125.db2.gz UPVZEZKHMVETDM-QWRGUYRKSA-N 1 0 295.814 3.124 10 0 CGAERO CCC[NH+](CCC)[C@H](C)C(=O)Nc1cc(Cl)ccc1N ZINC000022153836 171360727 /nfs/dbraw/zinc/36/07/27/171360727.db2.gz VKRNHKBFCOIQMA-LLVKDONJSA-N 1 0 297.830 3.371 10 0 CGAERO CC1CCN([C@@H](C[NH3+])c2ccc(OC(F)F)cc2)CC1 ZINC000022170282 171367920 /nfs/dbraw/zinc/36/79/20/171367920.db2.gz KBFAZFSPZVNNMV-AWEZNQCLSA-N 1 0 284.350 3.020 10 0 CGAERO C[C@@H]1CCCN([C@@H](C[NH3+])c2cccc(C(F)(F)F)c2)C1 ZINC000022215289 171375513 /nfs/dbraw/zinc/37/55/13/171375513.db2.gz APMYXQCJHDNXQZ-RISCZKNCSA-N 1 0 286.341 3.437 10 0 CGAERO [NH3+]C[C@H](c1cccc(C(F)(F)F)c1)N1CCCCC1 ZINC000022220551 171377734 /nfs/dbraw/zinc/37/77/34/171377734.db2.gz MEYNDOTTZUHWFL-CYBMUJFWSA-N 1 0 272.314 3.191 10 0 CGAERO [NH3+]Cc1ccnc(Oc2ccc3ccccc3c2)c1 ZINC000022220542 171377749 /nfs/dbraw/zinc/37/77/49/171377749.db2.gz NYRYDUJELSJCHV-UHFFFAOYSA-N 1 0 250.301 3.486 10 0 CGAERO COc1ccc([C@@H]([NH3+])[C@@H](C)Oc2ccc(F)cc2)cc1 ZINC000022566664 171392514 /nfs/dbraw/zinc/39/25/14/171392514.db2.gz VOMJAOKEEOZVOB-BZNIZROVSA-N 1 0 275.323 3.302 10 0 CGAERO CC[C@H]([NH2+]C)c1ccccc1OCc1ccncc1 ZINC000034818263 171871719 /nfs/dbraw/zinc/87/17/19/171871719.db2.gz XXTZXGAIIROGTB-HNNXBMFYSA-N 1 0 256.349 3.331 10 0 CGAERO CC1(C)CSC(NCc2ccc(Cl)cc2)=[NH+]1 ZINC000035287054 172104914 /nfs/dbraw/zinc/10/49/14/172104914.db2.gz XGJSRLAWEVYYNI-UHFFFAOYSA-N 1 0 254.786 3.311 10 0 CGAERO CCOCCOc1c2ccccc2ccc1[C@H](C)[NH3+] ZINC000035427185 172194703 /nfs/dbraw/zinc/19/47/03/172194703.db2.gz NSBSXUDGDCIAQX-LBPRGKRZSA-N 1 0 259.349 3.275 10 0 CGAERO CC[C@@H](C)N(C)c1nc2sccn2c1C[NH2+]C(C)C ZINC000035430191 172199535 /nfs/dbraw/zinc/19/95/35/172199535.db2.gz IXFGLKOOBGICND-LLVKDONJSA-N 1 0 280.441 3.129 10 0 CGAERO CCC[C@H](C)[C@@H]([NH2+]C)c1ccc(OC)c(OC)c1 ZINC000035463272 172210800 /nfs/dbraw/zinc/21/08/00/172210800.db2.gz XNVVWTVEPCACCA-XHDPSFHLSA-N 1 0 251.370 3.401 10 0 CGAERO C[NH2+][C@H](CC(C)(C)C)c1cc(OC)ccc1OC ZINC000035466714 172214328 /nfs/dbraw/zinc/21/43/28/172214328.db2.gz FLKLOFRQJJGJJX-CYBMUJFWSA-N 1 0 251.370 3.401 10 0 CGAERO C[NH2+][C@H](c1sccc1C)c1ccc2c(c1)CCO2 ZINC000035467742 172216056 /nfs/dbraw/zinc/21/60/56/172216056.db2.gz DKDSTTWQVMPHRJ-AWEZNQCLSA-N 1 0 259.374 3.300 10 0 CGAERO C[NH2+][C@H](c1cccs1)c1cc(F)ccc1OC ZINC000035499002 172232181 /nfs/dbraw/zinc/23/21/81/172232181.db2.gz PCWDIEOTHYEPKF-ZDUSSCGKSA-N 1 0 251.326 3.205 10 0 CGAERO C[NH2+][C@H](c1cc(OC)c(OC)cc1Cl)[C@H]1C[C@@H]1C ZINC000035501293 172235655 /nfs/dbraw/zinc/23/56/55/172235655.db2.gz RTDJGLMOADYTRG-FZNYLWTLSA-N 1 0 269.772 3.274 10 0 CGAERO C[NH2+][C@@H](c1ccsc1)c1ccc2c(c1)C[C@@H](C)O2 ZINC000035504355 172238618 /nfs/dbraw/zinc/23/86/18/172238618.db2.gz DLAPFWLSASWCHM-MEBBXXQBSA-N 1 0 259.374 3.380 10 0 CGAERO C[NH2+][C@H](c1ccc(C)cc1)c1ccc(OC)c(F)c1 ZINC000035508059 172240857 /nfs/dbraw/zinc/24/08/57/172240857.db2.gz LLEOYWXZEJVISO-MRXNPFEDSA-N 1 0 259.324 3.452 10 0 CGAERO CC(C)[NH2+]Cc1nccn1Cc1ccc(C(F)(F)F)cc1 ZINC000035517951 172243173 /nfs/dbraw/zinc/24/31/73/172243173.db2.gz VUFVIKRVOSBGPA-UHFFFAOYSA-N 1 0 297.324 3.448 10 0 CGAERO CC[NH2+][C@H](c1ccoc1)c1ccc2c(c1)C[C@@H](C)O2 ZINC000035570589 172266348 /nfs/dbraw/zinc/26/63/48/172266348.db2.gz TZOLTTOXLWPIOQ-BZNIZROVSA-N 1 0 257.333 3.302 10 0 CGAERO CC[NH2+][C@@H](c1cc2c(cc1Cl)NC(=O)C2)C(C)C ZINC000035571933 172268067 /nfs/dbraw/zinc/26/80/67/172268067.db2.gz YOYOQQFSEHPBON-CQSZACIVSA-N 1 0 266.772 3.141 10 0 CGAERO CCC[NH2+][C@@H](c1c(F)cc(F)cc1F)[C@@H]1CCCO1 ZINC000035580908 172276311 /nfs/dbraw/zinc/27/63/11/172276311.db2.gz LYHPVRLRPOBUMX-GXTWGEPZSA-N 1 0 273.298 3.324 10 0 CGAERO CCC[NH2+][C@@H](c1ccncc1)c1ccc(F)c(F)c1 ZINC000035582418 172280299 /nfs/dbraw/zinc/28/02/99/172280299.db2.gz WYMAGJLZGJFBRZ-HNNXBMFYSA-N 1 0 262.303 3.449 10 0 CGAERO CCC[NH2+][C@@H](c1cnn(C)c1)c1ccc(CC)cc1 ZINC000035584197 172283149 /nfs/dbraw/zinc/28/31/49/172283149.db2.gz PPKUIGMLHHIWLS-MRXNPFEDSA-N 1 0 257.381 3.072 10 0 CGAERO CN(Cc1cccs1)[C@@H](C[NH3+])c1cccc(F)c1 ZINC000035717006 172370951 /nfs/dbraw/zinc/37/09/51/172370951.db2.gz WHDOPNRINWQXOG-AWEZNQCLSA-N 1 0 264.369 3.019 10 0 CGAERO CN(c1ccc(C(F)(F)F)cc1C[NH3+])[C@@H]1CCSC1 ZINC000035719728 172374196 /nfs/dbraw/zinc/37/41/96/172374196.db2.gz CMUMRYUKQVBAJT-LLVKDONJSA-N 1 0 290.354 3.106 10 0 CGAERO CC[C@@H](C)SCCCOc1ccc(C[NH3+])cc1 ZINC000035722257 172377419 /nfs/dbraw/zinc/37/74/19/172377419.db2.gz OAVOLQZRTDCJTF-GFCCVEGCSA-N 1 0 253.411 3.446 10 0 CGAERO CC[C@@H](C)SCCCOc1cccc(C[NH3+])c1 ZINC000035722247 172377753 /nfs/dbraw/zinc/37/77/53/172377753.db2.gz PDZVXWFZCIWLQD-GFCCVEGCSA-N 1 0 253.411 3.446 10 0 CGAERO [NH3+]Cc1cccc(COc2ccccc2Br)c1 ZINC000035725929 172380010 /nfs/dbraw/zinc/38/00/10/172380010.db2.gz YLXBMHQLEKIDKP-UHFFFAOYSA-N 1 0 292.176 3.487 10 0 CGAERO Cc1csc(S[C@@H]2CCCCC[C@H]2C[NH3+])n1 ZINC000035724659 172380058 /nfs/dbraw/zinc/38/00/58/172380058.db2.gz GDZYRSZEPJHTHW-WDEREUQCSA-N 1 0 256.440 3.451 10 0 CGAERO C[C@@H]1C[C@H]([NH3+])c2cc(Br)ccc2S1 ZINC000035751997 172396981 /nfs/dbraw/zinc/39/69/81/172396981.db2.gz QSNJETSRWNWZHC-MUWHJKNJSA-N 1 0 258.184 3.333 10 0 CGAERO CC[C@@H]1CCCN([C@@H](C[NH3+])c2c(F)cccc2F)C1 ZINC000036169100 172487237 /nfs/dbraw/zinc/48/72/37/172487237.db2.gz QIURQVARUUEOBK-RISCZKNCSA-N 1 0 268.351 3.087 10 0 CGAERO CC[C@@H](C)CN(C)[C@@H](C[NH3+])c1c(F)cccc1Cl ZINC000037172656 173006945 /nfs/dbraw/zinc/00/69/45/173006945.db2.gz YBHHCGLFADDDTL-MFKMUULPSA-N 1 0 272.795 3.457 10 0 CGAERO C[C@@H](Nc1cc(F)cc(F)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000037210275 173032507 /nfs/dbraw/zinc/03/25/07/173032507.db2.gz RZNRCJWBISHHGN-GHMZBOCLSA-N 1 0 254.324 3.107 10 0 CGAERO CC(C)C[C@@H](C)OC(=O)Nc1ccc(C[NH3+])cc1 ZINC000037222947 173043241 /nfs/dbraw/zinc/04/32/41/173043241.db2.gz OIDAACRNWUCOKU-LLVKDONJSA-N 1 0 250.342 3.128 10 0 CGAERO CCc1ccc([C@@H](N)[C@@H](C)[NH+]2CCC(C)CC2)cc1 ZINC000037223648 173044016 /nfs/dbraw/zinc/04/40/16/173044016.db2.gz ZSNYPFWFYQMSED-PBHICJAKSA-N 1 0 260.425 3.369 10 0 CGAERO C[NH2+][C@H](Cc1ccncc1)c1nc2ccccc2s1 ZINC000037239476 173056323 /nfs/dbraw/zinc/05/63/23/173056323.db2.gz FEUTWLWUWLYVNN-CYBMUJFWSA-N 1 0 269.373 3.195 10 0 CGAERO CC[C@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1Cl ZINC000037386340 173168619 /nfs/dbraw/zinc/16/86/19/173168619.db2.gz TWNUSUFVIUSOEY-QMMMGPOBSA-N 1 0 275.179 3.320 10 0 CGAERO C[C@H]1CCCC[N@@H+]1CCCNc1cccc(F)c1N ZINC000037419210 173196545 /nfs/dbraw/zinc/19/65/45/173196545.db2.gz RLWOFZXHGKXVBT-LBPRGKRZSA-N 1 0 265.376 3.084 10 0 CGAERO CCn1c2ccc(Cl)cc2nc1[C@@H]1CCC[NH2+]C1 ZINC000037440327 173210105 /nfs/dbraw/zinc/21/01/05/173210105.db2.gz KHUICTHTWVJUNU-SNVBAGLBSA-N 1 0 263.772 3.177 10 0 CGAERO CC(C)[C@@](C)([NH3+])Cc1ccc(Br)cc1 ZINC000037463783 173225614 /nfs/dbraw/zinc/22/56/14/173225614.db2.gz UHPPLBSVPCWOJS-LBPRGKRZSA-N 1 0 256.187 3.365 10 0 CGAERO CC[NH2+][C@H](Cc1ccccc1Cl)c1cnccn1 ZINC000037536059 173254898 /nfs/dbraw/zinc/25/48/98/173254898.db2.gz SGYPKSQDLGGJEY-CYBMUJFWSA-N 1 0 261.756 3.023 10 0 CGAERO C[C@@H]([NH3+])Cc1ccccc1OCc1ccc(F)cc1 ZINC000037724253 173642945 /nfs/dbraw/zinc/64/29/45/173642945.db2.gz NKRWNUSLYWHJLQ-GFCCVEGCSA-N 1 0 259.324 3.294 10 0 CGAERO CC[C@H]([NH3+])Cc1ccc(O[C@@H](C)CC)c(OC)c1 ZINC000037727283 173646133 /nfs/dbraw/zinc/64/61/33/173646133.db2.gz KPCRXFLZUMNWOT-AAEUAGOBSA-N 1 0 251.370 3.152 10 0 CGAERO CC[NH2+][C@@H](c1cccnc1)c1cccc(OCC)c1 ZINC000037761751 173688290 /nfs/dbraw/zinc/68/82/90/173688290.db2.gz QOQVZXSBWRMJPT-MRXNPFEDSA-N 1 0 256.349 3.179 10 0 CGAERO C[C@@H]1CC(C)(C)C[C@]([NH2+]C2CCCCCC2)(C(N)=O)C1 ZINC000037970411 173920116 /nfs/dbraw/zinc/92/01/16/173920116.db2.gz OESJABWAHGRBAK-DYVFJYSZSA-N 1 0 280.456 3.369 10 0 CGAERO CC(C)CCC[NH2+]C[C@H](O)c1cc(F)ccc1F ZINC000037998505 173960670 /nfs/dbraw/zinc/96/06/70/173960670.db2.gz BYYWMPURNLPCMN-AWEZNQCLSA-N 1 0 257.324 3.024 10 0 CGAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)Nc1cccc2ccccc21 ZINC000038049864 174061226 /nfs/dbraw/zinc/06/12/26/174061226.db2.gz JIYGFMSRCQPDJH-HOCLYGCPSA-N 1 0 283.375 3.231 10 0 CGAERO CC[NH2+][C@H](C)c1c(F)cccc1-n1cc(Cl)cn1 ZINC000038053657 174065157 /nfs/dbraw/zinc/06/51/57/174065157.db2.gz ZOOCKECVCYDHDC-SECBINFHSA-N 1 0 267.735 3.335 10 0 CGAERO CC[NH2+][C@@H](C)c1ccc(-c2c(C)nn(C)c2C)cc1 ZINC000038073142 174083293 /nfs/dbraw/zinc/08/32/93/174083293.db2.gz ZEKHWXXZHVFIKV-NSHDSACASA-N 1 0 257.381 3.374 10 0 CGAERO CC[NH2+][C@H](C)c1ccccc1-c1c(C)nn(C)c1C ZINC000038073170 174083494 /nfs/dbraw/zinc/08/34/94/174083494.db2.gz RNWLETIYVBFLCK-LLVKDONJSA-N 1 0 257.381 3.374 10 0 CGAERO C[NH2+]Cc1ccc(-c2ccc(OC)cc2F)cc1F ZINC000038073810 174083983 /nfs/dbraw/zinc/08/39/83/174083983.db2.gz WVSSPLOVROUUNO-UHFFFAOYSA-N 1 0 263.287 3.360 10 0 CGAERO C[C@@H](c1cccc(Cl)c1)N(C)C(=O)[C@H]1CCCC[NH2+]1 ZINC000038101353 174116921 /nfs/dbraw/zinc/11/69/21/174116921.db2.gz PWNRGCCXKLOGBB-SMDDNHRTSA-N 1 0 280.799 3.002 10 0 CGAERO Cc1ccc(C(=O)[C@H](C)C[NH+]2CCCCC2)cc1O ZINC000038678842 174151605 /nfs/dbraw/zinc/15/16/05/174151605.db2.gz DPTIOTYHVFZYFS-CYBMUJFWSA-N 1 0 261.365 3.005 10 0 in-vitro CGAERO CCCN(CCC)[C@@H](C[NH3+])c1ccccc1OCC ZINC000038860225 174158084 /nfs/dbraw/zinc/15/80/84/174158084.db2.gz NAZCNJYRQGOGAP-HNNXBMFYSA-N 1 0 264.413 3.207 10 0 CGAERO CCOCCn1c2ccccc2nc1[C@@H]([NH3+])CC(C)C ZINC000040163870 174196694 /nfs/dbraw/zinc/19/66/94/174196694.db2.gz QPOCGXFUTWWUOX-ZDUSSCGKSA-N 1 0 275.396 3.119 10 0 CGAERO CCOCCCn1c(CCCCC[NH3+])nc2ccccc21 ZINC000040163856 174196763 /nfs/dbraw/zinc/19/67/63/174196763.db2.gz OQJGNJADCASZOL-UHFFFAOYSA-N 1 0 289.423 3.134 10 0 CGAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000040177375 174202141 /nfs/dbraw/zinc/20/21/41/174202141.db2.gz BHWCAZBYLNJIEA-SEBNEYGDSA-N 1 0 280.456 3.094 10 0 CGAERO CC[NH+](CC)CCn1c(COC)nc2cc(Cl)ccc21 ZINC000040405698 174254209 /nfs/dbraw/zinc/25/42/09/174254209.db2.gz QCXJMLYXHRVWIH-UHFFFAOYSA-N 1 0 295.814 3.178 10 0 CGAERO C[NH2+]Cc1csc(-c2ccc(Br)cc2)n1 ZINC000040420121 174257470 /nfs/dbraw/zinc/25/74/70/174257470.db2.gz MGPMSKUGYSDBKE-UHFFFAOYSA-N 1 0 283.194 3.292 10 0 CGAERO O=Cc1ccc2ccccc2c1OCC[NH+]1CCCC1 ZINC000040541804 174322795 /nfs/dbraw/zinc/32/27/95/174322795.db2.gz OIBKIMHZRLDURH-UHFFFAOYSA-N 1 0 269.344 3.127 10 0 CGAERO [NH3+]Cc1ccc(COc2ccc(F)cc2Cl)o1 ZINC000041325911 174522493 /nfs/dbraw/zinc/52/24/93/174522493.db2.gz IRLIKVGJDXQOAF-UHFFFAOYSA-N 1 0 255.676 3.110 10 0 CGAERO CC(C)c1ccc(C[N@H+](C)C[C@@H](C)C(N)=S)cc1 ZINC000042457717 174748884 /nfs/dbraw/zinc/74/88/84/174748884.db2.gz QKXPYPPFQXPNMK-GFCCVEGCSA-N 1 0 264.438 3.164 10 0 CGAERO CCCCCN(C(C)C)[C@H](CC[NH3+])C(F)(F)F ZINC000042554493 174792138 /nfs/dbraw/zinc/79/21/38/174792138.db2.gz JINFGQGGTGKETD-LLVKDONJSA-N 1 0 254.340 3.167 10 0 CGAERO CCCCCCO[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000042963653 174927928 /nfs/dbraw/zinc/92/79/28/174927928.db2.gz KBQKHBXULRCYFC-OAHLLOKOSA-N 1 0 251.370 3.292 10 0 CGAERO C[C@H]([NH3+])[C@@H](OCc1cccs1)c1cccc(F)c1 ZINC000042974283 174937593 /nfs/dbraw/zinc/93/75/93/174937593.db2.gz YEDWRULBGZMSBQ-IINYFYTJSA-N 1 0 265.353 3.492 10 0 CGAERO CC[C@@H]([NH3+])[C@@H](Sc1ncccn1)c1ccccc1F ZINC000043049617 174958067 /nfs/dbraw/zinc/95/80/67/174958067.db2.gz HXYJQWVMCVWLMD-OLZOCXBDSA-N 1 0 277.368 3.186 10 0 CGAERO CC[C@H]([NH3+])[C@H](OC1CCOCC1)c1ccccc1Cl ZINC000043088757 174963432 /nfs/dbraw/zinc/96/34/32/174963432.db2.gz CSOZLLIJPJCAMV-LSDHHAIUSA-N 1 0 283.799 3.314 10 0 CGAERO C[C@H]([NH3+])[C@H](Oc1cccc(N(C)C)c1)c1cccs1 ZINC000043112102 174974543 /nfs/dbraw/zinc/97/45/43/174974543.db2.gz NLQPYKHFJVWIMC-NHYWBVRUSA-N 1 0 276.405 3.281 10 0 CGAERO CN(C[C@H]1[NH2+]CCc2ccccc21)c1ccccc1 ZINC000043595903 175076600 /nfs/dbraw/zinc/07/66/00/175076600.db2.gz IEJKBUNOTKWTEW-QGZVFWFLSA-N 1 0 252.361 3.010 10 0 CGAERO Cc1ccc(C)c([C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000044120398 175142510 /nfs/dbraw/zinc/14/25/10/175142510.db2.gz CZFNBIVRBLZPIL-IBGZPJMESA-N 1 0 281.399 3.395 10 0 CGAERO FC(F)(F)c1cnc(NC[C@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000044493047 175180834 /nfs/dbraw/zinc/18/08/34/175180834.db2.gz QFSPTCDODODQCW-SECBINFHSA-N 1 0 293.720 3.308 10 0 CGAERO COCCCC[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000044656099 175225420 /nfs/dbraw/zinc/22/54/20/175225420.db2.gz YHCGQIRIDRDCCM-INIZCTEOSA-N 1 0 259.349 3.385 10 0 CGAERO Cc1ccc(NC(=O)C2(C[NH3+])CCCCC2)c(C)c1 ZINC000044761700 175245878 /nfs/dbraw/zinc/24/58/78/175245878.db2.gz SERBMCJVLKHVOD-UHFFFAOYSA-N 1 0 260.381 3.151 10 0 CGAERO CCN(CC)c1nc(Cl)c(C[NH2+]C(C)C)s1 ZINC000045206305 175327529 /nfs/dbraw/zinc/32/75/29/175327529.db2.gz ZLZGHUCMZSHRCT-UHFFFAOYSA-N 1 0 261.822 3.141 10 0 CGAERO CCn1nc(C[NH2+]C(C)(C)CC)c(-c2ccccc2)n1 ZINC000045944863 175387327 /nfs/dbraw/zinc/38/73/27/175387327.db2.gz KKEKTIXXOZQFMI-UHFFFAOYSA-N 1 0 272.396 3.243 10 0 CGAERO CC(C)c1nn(-c2ccccc2)c(-n2cccc2)c1C[NH3+] ZINC000049455220 175479597 /nfs/dbraw/zinc/47/95/97/175479597.db2.gz GGJHGUCZKCZWRV-UHFFFAOYSA-N 1 0 280.375 3.245 10 0 CGAERO CCCCCC[NH2+]C[C@@H](O)CO[C@@H]1CCCC[C@@H]1C ZINC000070192104 175881403 /nfs/dbraw/zinc/88/14/03/175881403.db2.gz NYTKIZDLKGORLQ-ARFHVFGLSA-N 1 0 271.445 3.113 10 0 CGAERO CCC[NH2+][C@@H]1CCN(c2ccc(C)c(Br)c2)C1 ZINC000070940850 176014883 /nfs/dbraw/zinc/01/48/83/176014883.db2.gz QNNBWJGLRMJMTL-GFCCVEGCSA-N 1 0 297.240 3.336 10 0 CGAERO C[C@H](Oc1cc(F)ccc1F)[C@@H]([NH3+])c1ccccc1 ZINC000071167661 176049583 /nfs/dbraw/zinc/04/95/83/176049583.db2.gz JBMJGTORQAQZTN-ZUZCIYMTSA-N 1 0 263.287 3.432 10 0 CGAERO C[C@@H](Cc1cccs1)[N@@H+]1Cc2cccc(N)c2C1 ZINC000071271661 176104405 /nfs/dbraw/zinc/10/44/05/176104405.db2.gz GWXAKBWJRHIRAB-NSHDSACASA-N 1 0 258.390 3.277 10 0 CGAERO C[C@H](c1ccc(Cl)cc1Cl)N(C)[C@@H]1CC[NH2+]C1 ZINC000071309276 176117000 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CC(C)c1cccc(OC[C@@H](C[NH3+])c2ccc[nH]2)c1 ZINC000076667625 177051664 /nfs/dbraw/zinc/05/16/64/177051664.db2.gz HJQQPLHKXVDVQW-CQSZACIVSA-N 1 0 258.365 3.259 10 0 CGAERO Cc1ccc(CN(CC[NH3+])Cc2cccs2)cc1 ZINC000076671350 177053804 /nfs/dbraw/zinc/05/38/04/177053804.db2.gz XFFTULGIBHNVGJ-UHFFFAOYSA-N 1 0 260.406 3.017 10 0 CGAERO Cc1ccc(NC(=O)[C@H](CCC[NH3+])C(C)C)c(C)c1 ZINC000076675849 177055943 /nfs/dbraw/zinc/05/59/43/177055943.db2.gz HXENPMCAQSUZPB-CQSZACIVSA-N 1 0 262.397 3.253 10 0 CGAERO COc1cc([C@@H](CC[NH3+])C(C)(C)C)c(OC)cc1C ZINC000076681778 177058704 /nfs/dbraw/zinc/05/87/04/177058704.db2.gz UWWOBNSLPRCKHP-CYBMUJFWSA-N 1 0 265.397 3.491 10 0 CGAERO CCC[C@@H](CC[NH3+])C(=O)Nc1ccc(F)c(Cl)c1 ZINC000076715590 177068665 /nfs/dbraw/zinc/06/86/65/177068665.db2.gz XBHDGRWKCRZOMW-VIFPVBQESA-N 1 0 272.751 3.183 10 0 CGAERO C[C@H](CCC[NH3+])C(=O)Nc1ccc(Cl)cc1Cl ZINC000076722348 177069984 /nfs/dbraw/zinc/06/99/84/177069984.db2.gz VOECHOSZWWOPRI-MRVPVSSYSA-N 1 0 275.179 3.307 10 0 CGAERO C[NH2+][C@@H](C)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000076784839 177092414 /nfs/dbraw/zinc/09/24/14/177092414.db2.gz KFOWRCUPQKEGMI-ZETCQYMHSA-N 1 0 254.305 3.369 10 0 CGAERO C[C@H](CC[NH3+])C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000076852877 177120988 /nfs/dbraw/zinc/12/09/88/177120988.db2.gz NIDDSLSRYPUHSI-SSDOTTSWSA-N 1 0 294.704 3.282 10 0 CGAERO [NH3+]CCCn1cc(-c2ccc(Cl)c(Cl)c2)cn1 ZINC000049861301 416477107 /nfs/dbraw/zinc/47/71/07/416477107.db2.gz BRXYUHMCUPAESR-UHFFFAOYSA-N 1 0 270.163 3.206 10 0 CGAERO CCc1cc(NC(=O)C2CCC([NH3+])CC2)ccc1C ZINC000311523800 416531325 /nfs/dbraw/zinc/53/13/25/416531325.db2.gz WGJDBXXTMMTIRF-UHFFFAOYSA-N 1 0 260.381 3.013 10 0 CGAERO Cc1cccc(C)c1C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000130600080 287359304 /nfs/dbraw/zinc/35/93/04/287359304.db2.gz IIMCNNPZVZMUTM-AEFFLSMTSA-N 1 0 273.420 3.430 10 0 CGAERO C[C@@H]([NH2+][C@@H]1CC(=O)N(C)c2ccccc21)C(C)(C)C ZINC000130977393 287368046 /nfs/dbraw/zinc/36/80/46/287368046.db2.gz WMXMZPPDTWHAGT-DGCLKSJQSA-N 1 0 260.381 3.118 10 0 CGAERO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCc3cccnc32)C[C@H](C)O1 ZINC000684963642 544047277 /nfs/dbraw/zinc/04/72/77/544047277.db2.gz WYLJJZDFQSBDQU-HLPPOEQASA-N 1 0 274.408 3.252 10 0 CGAERO CC(C)[C@@]1([NH+]2CCC2)CCCN(C(=O)OC(C)(C)C)C1 ZINC000685961499 544111175 /nfs/dbraw/zinc/11/11/75/544111175.db2.gz RXXYAUBCBUYEGY-MRXNPFEDSA-N 1 0 282.428 3.118 10 0 CGAERO O=C(CCCC(F)(F)F)C[NH2+]Cc1ccccc1 ZINC000685960498 544111409 /nfs/dbraw/zinc/11/14/09/544111409.db2.gz NHACEKUSWWWWNJ-UHFFFAOYSA-N 1 0 259.271 3.078 10 0 CGAERO C[C@H]1CC(C)(C)C[C@](C[NH3+])(C(=O)OC(C)(C)C)C1 ZINC000725244060 544111844 /nfs/dbraw/zinc/11/18/44/544111844.db2.gz DDUYPOUSKLLLIT-XHDPSFHLSA-N 1 0 255.402 3.119 10 0 CGAERO CC(C)(C)OC(=O)C[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000725272387 544115442 /nfs/dbraw/zinc/11/54/42/544115442.db2.gz PUQUHLYQZBDHQA-LLVKDONJSA-N 1 0 289.297 3.437 10 0 CGAERO CC[C@@H]([NH2+]C1CC(CO)C1)c1cccc(Cl)c1 ZINC000658351916 418946618 /nfs/dbraw/zinc/94/66/18/418946618.db2.gz 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292.423 3.359 10 0 CGAERO CC[N@@H+]1CCC[C@@H](N[C@@H](C)c2csc(C(C)C)n2)C1 ZINC000186267294 270065279 /nfs/dbraw/zinc/06/52/79/270065279.db2.gz QSBRURCYAIOREK-QWHCGFSZSA-N 1 0 281.469 3.401 10 0 CGAERO O[C@@]12CCCC[C@H]1C[N@H+](CC1CCCCC1)CC2 ZINC000220404055 270085951 /nfs/dbraw/zinc/08/59/51/270085951.db2.gz LZAKJYHEOAVLFT-JKSUJKDBSA-N 1 0 251.414 3.194 10 0 CGAERO O[C@@H](C[NH2+]CC1CC=CC1)c1ccc(C(F)(F)F)cc1 ZINC000530236584 270197077 /nfs/dbraw/zinc/19/70/77/270197077.db2.gz QAYYSHAMIRIDSF-AWEZNQCLSA-N 1 0 285.309 3.295 10 0 CGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC(=O)N1CCCCC1 ZINC000222003503 268031639 /nfs/dbraw/zinc/03/16/39/268031639.db2.gz LRSZHAMMPPFULJ-PMPSAXMXSA-N 1 0 280.456 3.049 10 0 CGAERO Brc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000532748913 270219319 /nfs/dbraw/zinc/21/93/19/270219319.db2.gz XFBXAMVEZPSCRQ-WCQYABFASA-N 1 0 266.182 3.433 10 0 CGAERO CC(C)(C)[C@@H]([NH2+]Cc1ccc(-c2ccccc2)cc1)C(N)=O ZINC000109329935 273501153 /nfs/dbraw/zinc/50/11/53/273501153.db2.gz 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ZINC000323380132 620539941 /nfs/dbraw/zinc/53/99/41/620539941.db2.gz PCOAZZDFWZSMSA-CYBMUJFWSA-N 1 0 280.387 3.201 10 0 CGAERO CCCc1nc2ccccc2n1CCC[NH2+]C1CC1 ZINC000163542260 620558900 /nfs/dbraw/zinc/55/89/00/620558900.db2.gz OUDGIOQURCYOPM-UHFFFAOYSA-N 1 0 257.381 3.131 10 0 CGAERO CC[C@@H](C)[N@H+](C)C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000044126609 622535118 /nfs/dbraw/zinc/53/51/18/622535118.db2.gz UWQTUASXPMDORP-MFKMUULPSA-N 1 0 275.314 3.469 10 0 CGAERO COC1CC([NH2+][C@H]2C[C@H](C)Sc3sccc32)C1 ZINC000230675141 623258981 /nfs/dbraw/zinc/25/89/81/623258981.db2.gz KNXGDVIYPDBPIL-FJUHHBQUSA-N 1 0 269.435 3.441 10 0 CGAERO COC1CC([NH2+][C@H](C)c2cnc3ccsc3c2)C1 ZINC000230673009 623259249 /nfs/dbraw/zinc/25/92/49/623259249.db2.gz KGCHIUYQSKDUAW-OIKLOGQESA-N 1 0 262.378 3.124 10 0 CGAERO COC1CC([NH2+][C@@H](C)Cc2ccc(Cl)cc2)C1 ZINC000230675961 623259706 /nfs/dbraw/zinc/25/97/06/623259706.db2.gz XEUOEFPYJRHHDF-FNBIGBAISA-N 1 0 253.773 3.038 10 0 CGAERO C[N@H+](C[C@H](O)c1ccc2ccccc2c1)C1CCC1 ZINC000075842652 624548267 /nfs/dbraw/zinc/54/82/67/624548267.db2.gz STWLVRGGWMGREQ-KRWDZBQOSA-N 1 0 255.361 3.358 10 0 CGAERO CCSc1ccc(-c2noc([C@@H]3CC[C@@H]([NH3+])C3)n2)cc1 ZINC000233835308 624649106 /nfs/dbraw/zinc/64/91/06/624649106.db2.gz FMKZIINXGVONKR-VXGBXAGGSA-N 1 0 289.404 3.443 10 0 CGAERO C[C@@H]([NH2+]CC1OCCO1)c1ccc(-c2ccccc2)cc1 ZINC000180234522 624729036 /nfs/dbraw/zinc/72/90/36/624729036.db2.gz ZHDIIQJYNZGWGD-CQSZACIVSA-N 1 0 283.371 3.377 10 0 CGAERO COc1cccc([C@H]2CCC[N@@H+](C(C)C)C2)c1F ZINC000757564467 630332050 /nfs/dbraw/zinc/33/20/50/630332050.db2.gz BGCDBRQJXZZZTM-LBPRGKRZSA-N 1 0 251.345 3.422 10 0 CGAERO Cc1nn(C)c2sc(C3=CC[C@@](C)([NH3+])CC3)cc12 ZINC000757573746 630509894 /nfs/dbraw/zinc/50/98/94/630509894.db2.gz YKTBFQOIUHKGAU-CQSZACIVSA-N 1 0 261.394 3.228 10 0 CGAERO Cc1ccc([C@@H]2C[NH2+]C[C@@H]2C(=O)OC(C)(C)C)cc1Cl ZINC000757183790 630587933 /nfs/dbraw/zinc/58/79/33/630587933.db2.gz GVFUPMWCZONENN-STQMWFEESA-N 1 0 295.810 3.293 10 0 CGAERO CC[C@@H]1CCCC[C@@]12C[NH2+]C[C@@H]2C(=O)OC(C)(C)C ZINC000757183432 630587936 /nfs/dbraw/zinc/58/79/36/630587936.db2.gz CAQZDMCLBZSGDP-XJKCOSOUSA-N 1 0 267.413 3.134 10 0 CGAERO COc1c(C)cc(C[N@H+](C)C[C@H](O)c2ccccc2)cc1C ZINC000101566291 634199278 /nfs/dbraw/zinc/19/92/78/634199278.db2.gz JDYJSGUCPKTICP-SFHVURJKSA-N 1 0 299.414 3.477 10 0 CGAERO CCCCCC[C@@](C)(CCC)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000127684384 635768265 /nfs/dbraw/zinc/76/82/65/635768265.db2.gz BNUCAZXFJPMHOL-GDBMZVCRSA-N 1 0 268.445 3.241 10 0 CGAERO CCCC(CCC)c1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000212084767 636273970 /nfs/dbraw/zinc/27/39/70/636273970.db2.gz AYVSCLLCGKFMDY-GFCCVEGCSA-N 1 0 265.401 3.296 10 0 CGAERO CCC1CCC(c2noc(-c3ccnc(C[NH3+])c3)n2)CC1 ZINC000129719026 636348583 /nfs/dbraw/zinc/34/85/83/636348583.db2.gz CRPTYCXRDYHGHJ-UHFFFAOYSA-N 1 0 286.379 3.274 10 0 CGAERO CC[C@H]([NH2+]C1CC(NC(=O)OC(C)(C)C)C1)C(C)C ZINC000133267968 636888440 /nfs/dbraw/zinc/88/84/40/636888440.db2.gz FIBSZUDMZQEMJS-BPCQOVAHSA-N 1 0 270.417 3.066 10 0 CGAERO c1ccc2c(c1)OC[C@@H]2[NH2+]Cc1cncc2ccccc21 ZINC000135779306 637176643 /nfs/dbraw/zinc/17/66/43/637176643.db2.gz VTUWPWJWGCURJP-KRWDZBQOSA-N 1 0 276.339 3.458 10 0 CGAERO CCN(CC)c1ccc(NC(=O)[C@]2(C)CCCC[NH2+]2)cc1 ZINC000136192409 637291373 /nfs/dbraw/zinc/29/13/73/637291373.db2.gz SYKKQUBQRJSWIX-KRWDZBQOSA-N 1 0 289.423 3.004 10 0 CGAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccc2ccccc2c1 ZINC000136328335 637308925 /nfs/dbraw/zinc/30/89/25/637308925.db2.gz RTMKEXJMNMANTF-HNNXBMFYSA-N 1 0 256.349 3.152 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)c1ncc[nH]1 ZINC000138953595 637687361 /nfs/dbraw/zinc/68/73/61/637687361.db2.gz DFUKQXKFEUCAJM-LPEHRKFASA-N 1 0 261.291 3.181 10 0 CGAERO CC(C)C[C@H](C)[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C ZINC000221975631 637771490 /nfs/dbraw/zinc/77/14/90/637771490.db2.gz FVTJZKSWDNDQGZ-OLZOCXBDSA-N 1 0 272.433 3.314 10 0 CGAERO CCn1nc(C)c([C@H](C)[NH2+][C@@H]2CC[C@H](SC)C2)c1C ZINC000300416571 637838835 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C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C[NH3+])c1ccccc1Cl ZINC000089395600 640644350 /nfs/dbraw/zinc/64/43/50/640644350.db2.gz YDHXDQALHOYPQV-OUCADQQQSA-N 1 0 294.826 3.282 10 0 CGAERO CC(C)(C)Cc1noc([C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)n1 ZINC000250703442 640815673 /nfs/dbraw/zinc/81/56/73/640815673.db2.gz OUHLKWVIIPWRSX-UTUOFQBUSA-N 1 0 263.385 3.251 10 0 CGAERO CCc1nc2sc(C)c(C)c2c(NCCC[NH+](C)C)n1 ZINC000096204757 640824713 /nfs/dbraw/zinc/82/47/13/640824713.db2.gz BHNAUQQUUWCPEY-UHFFFAOYSA-N 1 0 292.452 3.234 10 0 CGAERO C[C@@H]([NH2+][C@H]1C[C@H]1C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000252179447 640840298 /nfs/dbraw/zinc/84/02/98/640840298.db2.gz SQXUYAZSXDGVME-MQYQWHSLSA-N 1 0 282.428 3.020 10 0 CGAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(Cl)s2)[C@H]1OC ZINC000252778290 640863562 /nfs/dbraw/zinc/86/35/62/640863562.db2.gz LEXCELVVHOOVIX-BSTOTGJRSA-N 1 0 289.828 3.245 10 0 CGAERO C[NH2+]Cc1sc(C2CCCCC2)nc1COC ZINC000082446158 178023213 /nfs/dbraw/zinc/02/32/13/178023213.db2.gz FAVBCGRIOGOIER-UHFFFAOYSA-N 1 0 254.399 3.057 10 0 CGAERO CC[NH2+][C@@H]1CC2(CCCC2)Oc2ccc(OC)cc21 ZINC000082508891 178074426 /nfs/dbraw/zinc/07/44/26/178074426.db2.gz XXGRYNRSBUDXTI-CQSZACIVSA-N 1 0 261.365 3.441 10 0 CGAERO CC[NH2+]Cc1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000082661910 178150280 /nfs/dbraw/zinc/15/02/80/178150280.db2.gz SHYVZILSDSFKKU-UHFFFAOYSA-N 1 0 287.260 3.140 10 0 CGAERO C[N@@H+]1CCc2[nH]nc(-c3ccccc3C(F)(F)F)c2C1 ZINC000082807713 178309470 /nfs/dbraw/zinc/30/94/70/178309470.db2.gz MKKQSZIQNMAGJD-UHFFFAOYSA-N 1 0 281.281 3.083 10 0 CGAERO C[N@@H+]1CCc2[nH]nc(-c3ccc(C(C)(C)C)cc3)c2C1 ZINC000082807670 178310288 /nfs/dbraw/zinc/31/02/88/178310288.db2.gz RLOZJKKVBRDTRJ-UHFFFAOYSA-N 1 0 269.392 3.362 10 0 CGAERO CC(C)[C@@H]1C[N@H+](CCC2=CCCCC2)[C@@H](C)CN1 ZINC000083383844 178387219 /nfs/dbraw/zinc/38/72/19/178387219.db2.gz LLGJMDPTGKHHGS-HOCLYGCPSA-N 1 0 250.430 3.195 10 0 CGAERO Fc1ccc(Br)cc1[C@H]1CCC[NH2+]C1 ZINC000083256403 178372017 /nfs/dbraw/zinc/37/20/17/178372017.db2.gz HNAMRGIGIMDNJA-QMMMGPOBSA-N 1 0 258.134 3.055 10 0 CGAERO CCOc1c(OC)cc2c(c1OC)[C@H](C)[NH2+]CC2(C)C ZINC000096889035 185123736 /nfs/dbraw/zinc/12/37/36/185123736.db2.gz XATKSAZRQZQKFC-JTQLQIEISA-N 1 0 279.380 3.044 10 0 CGAERO C[C@@H]1C[N@H+](C)CCc2sc(Br)cc21 ZINC000096949818 185138612 /nfs/dbraw/zinc/13/86/12/185138612.db2.gz ADTAYWBUTYTQSV-SSDOTTSWSA-N 1 0 260.200 3.102 10 0 CGAERO CC1(C)C[NH2+]C[C@@H]1c1cccc(Br)c1 ZINC000096958897 185142619 /nfs/dbraw/zinc/14/26/19/185142619.db2.gz FAMJESQAWIGWND-LLVKDONJSA-N 1 0 254.171 3.162 10 0 CGAERO CC[C@@H]1C[NH2+][C@H](C)CN1Cc1cc(F)ccc1Cl ZINC000083518149 178552703 /nfs/dbraw/zinc/55/27/03/178552703.db2.gz KGEAWMIWEJFSBW-ZWNOBZJWSA-N 1 0 270.779 3.051 10 0 CGAERO CCOc1ccc(CN2C[C@H](CC)[NH2+]C[C@H]2CC)cc1 ZINC000083549617 178578933 /nfs/dbraw/zinc/57/89/33/178578933.db2.gz HTBIMLFPSQAQDX-JKSUJKDBSA-N 1 0 276.424 3.048 10 0 CGAERO CC[N@@H+]1CCC[C@@H](OC(=O)Nc2c(C)cccc2C)C1 ZINC000002010841 344857198 /nfs/dbraw/zinc/85/71/98/344857198.db2.gz GQBBRMZCLIBJIM-CQSZACIVSA-N 1 0 276.380 3.336 10 0 CGAERO O=C(c1ccccc1)[C@H](C[NH+]1CCC1)c1ccccc1 ZINC000003600904 344858985 /nfs/dbraw/zinc/85/89/85/344858985.db2.gz WUNWIGLFLQRHSJ-QGZVFWFLSA-N 1 0 265.356 3.359 10 0 CGAERO Oc1ccc2c(c1)O[C@H](C[NH2+]C1CCCCC1)CC2 ZINC000013775953 344880459 /nfs/dbraw/zinc/88/04/59/344880459.db2.gz AFXVAXQMGUXVBX-HNNXBMFYSA-N 1 0 261.365 3.008 10 0 CGAERO C[C@H](C[NH+]1CCCC1)[C@@](O)(c1ccccc1)c1ccccn1 ZINC000031554325 344926888 /nfs/dbraw/zinc/92/68/88/344926888.db2.gz VBTFCCSRDNNZLY-VQIMIIECSA-N 1 0 296.414 3.049 10 0 CGAERO Cc1nccc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)n1 ZINC000038037464 344953995 /nfs/dbraw/zinc/95/39/95/344953995.db2.gz UWCXSHIPMGJUKI-XSOSOZTNSA-N 1 0 285.435 3.480 10 0 CGAERO CC[C@@H]1[C@H]([NH3+])CN1C(c1ccccc1)c1ccccc1 ZINC000034496343 344940381 /nfs/dbraw/zinc/94/03/81/344940381.db2.gz TVONPRWCUBWIAI-IAGOWNOFSA-N 1 0 266.388 3.198 10 0 CGAERO [NH3+][C@H](c1ccc2c(c1)CCC2)[C@H]1Cc2ccccc2O1 ZINC000034939641 344941240 /nfs/dbraw/zinc/94/12/40/344941240.db2.gz ZBBMIQVOCQBCGH-QZTJIDSGSA-N 1 0 265.356 3.179 10 0 CGAERO CC(C)C[NH2+]CCc1cc(Br)cs1 ZINC000053302792 345118036 /nfs/dbraw/zinc/11/80/36/345118036.db2.gz ZATNBAPPRKZFRL-UHFFFAOYSA-N 1 0 262.216 3.299 10 0 CGAERO CC(C)(C)[C@H]([NH3+])Cc1sccc1Br ZINC000053819306 345125504 /nfs/dbraw/zinc/12/55/04/345125504.db2.gz IVKFJRVIKHTNIH-SECBINFHSA-N 1 0 262.216 3.427 10 0 CGAERO CCC(C)(C)C1CCC(NC(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000054306416 345132560 /nfs/dbraw/zinc/13/25/60/345132560.db2.gz MLFAVWLWUWYBGN-FHERZECASA-N 1 0 294.483 3.487 10 0 CGAERO [NH3+][C@H](c1ccoc1)c1ccccc1Br ZINC000068979908 345369470 /nfs/dbraw/zinc/36/94/70/345369470.db2.gz CYKTYJWLDZGXKQ-LLVKDONJSA-N 1 0 252.111 3.090 10 0 CGAERO C[C@H]1C[C@@H](c2cc(Br)ccc2F)C[NH2+]1 ZINC000070586573 345391717 /nfs/dbraw/zinc/39/17/17/345391717.db2.gz DYSRQQIRQDGCEU-JGVFFNPUSA-N 1 0 258.134 3.054 10 0 CGAERO [NH3+][C@@H](c1ccoc1)c1cc(Br)cs1 ZINC000070599124 345392876 /nfs/dbraw/zinc/39/28/76/345392876.db2.gz GHGMONNXVSCKJL-VIFPVBQESA-N 1 0 258.140 3.152 10 0 CGAERO c1ccc2ncc([C@@H]3[NH2+]CCc4ccccc43)cc2c1 ZINC000070984543 345400184 /nfs/dbraw/zinc/40/01/84/345400184.db2.gz HPWAUQRODYXIDR-SFHVURJKSA-N 1 0 260.340 3.470 10 0 CGAERO C[C@H]1OCC[C@@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000149424697 232203878 /nfs/dbraw/zinc/20/38/78/232203878.db2.gz DRIFJUZEOBXOKY-WPSFFTEHSA-N 1 0 265.784 3.353 10 0 CGAERO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)C(C)C ZINC000078606764 345615725 /nfs/dbraw/zinc/61/57/25/345615725.db2.gz PYBMWFSOLLNXTP-RYUDHWBXSA-N 1 0 266.360 3.095 10 0 CGAERO Cc1ccc([C@H](C)NC(=O)CC[C@@H]2CCC[NH2+]C2)cc1F ZINC000094956590 345899239 /nfs/dbraw/zinc/89/92/39/345899239.db2.gz LOQFNXCNJVNEJD-KBPBESRZSA-N 1 0 292.398 3.091 10 0 CGAERO CN(c1ccc([C@H]2C[NH2+]CCO2)cc1)C1CCCCC1 ZINC000113966435 345962590 /nfs/dbraw/zinc/96/25/90/345962590.db2.gz QGYMHBQHJJSJHZ-QGZVFWFLSA-N 1 0 274.408 3.116 10 0 CGAERO c1ccc2c(C[NH2+]C[C@H]3CCCS3)ccnc2c1 ZINC000122034316 346004087 /nfs/dbraw/zinc/00/40/87/346004087.db2.gz HPQCSHLYXJLOGP-CYBMUJFWSA-N 1 0 258.390 3.220 10 0 CGAERO c1ccc2c(C[NH2+]C[C@@H]3CCCS3)ccnc2c1 ZINC000122034064 346004325 /nfs/dbraw/zinc/00/43/25/346004325.db2.gz HPQCSHLYXJLOGP-ZDUSSCGKSA-N 1 0 258.390 3.220 10 0 CGAERO O=C(CC1CCCCCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000175893379 232327129 /nfs/dbraw/zinc/32/71/29/232327129.db2.gz XNXNONQUYIAZHE-MRXNPFEDSA-N 1 0 278.440 3.044 10 0 CGAERO CCOc1ccc(Br)c(C[C@H]([NH3+])CC)c1 ZINC000133437364 346078082 /nfs/dbraw/zinc/07/80/82/346078082.db2.gz KZIFHBJBZMEQKH-SNVBAGLBSA-N 1 0 272.186 3.128 10 0 CGAERO [NH3+]C[C@H]1C[C@H]1c1ccc(Cl)c(Br)c1 ZINC000137241311 346093062 /nfs/dbraw/zinc/09/30/62/346093062.db2.gz PTRDZGMEBWMKEE-SFYZADRCSA-N 1 0 260.562 3.165 10 0 CGAERO C[NH2+]C[C@@H]1Cc2cccc(-c3cccc(C)c3)c2O1 ZINC000137467605 346093942 /nfs/dbraw/zinc/09/39/42/346093942.db2.gz LEWBMWBQNFOMRE-HNNXBMFYSA-N 1 0 253.345 3.185 10 0 CGAERO CCc1ccccc1CN1Cc2ccccc2NC1=[NH2+] ZINC000140357711 346103748 /nfs/dbraw/zinc/10/37/48/346103748.db2.gz NCNHCWCHENDVBT-UHFFFAOYSA-N 1 0 265.360 3.211 10 0 CGAERO CCC(=O)CC[N@@H+]1CCC2=Cc3ccccc3[C@H]2C1 ZINC000142064023 346110228 /nfs/dbraw/zinc/11/02/28/346110228.db2.gz PKAIIYQSNJRSKK-KRWDZBQOSA-N 1 0 255.361 3.242 10 0 CGAERO O[C@]12CCCC[C@@H]1CCC[C@H]2[NH2+]Cc1ccccc1 ZINC000144618396 346118396 /nfs/dbraw/zinc/11/83/96/346118396.db2.gz MWNOTFFYBJBMBU-BRWVUGGUSA-N 1 0 259.393 3.250 10 0 CGAERO N#Cc1cccc(C[C@H]2[NH2+]CCc3ccsc32)c1 ZINC000149273388 346130342 /nfs/dbraw/zinc/13/03/42/346130342.db2.gz VMRWGQSHVBIHMM-CQSZACIVSA-N 1 0 254.358 3.049 10 0 CGAERO COc1cc(OC)cc([C@@H](C[NH3+])c2c(C)cccc2C)c1 ZINC000150211694 346133274 /nfs/dbraw/zinc/13/32/74/346133274.db2.gz FPSOXEXTCILZHF-QGZVFWFLSA-N 1 0 285.387 3.411 10 0 CGAERO CC[C@H]1C[C@]1(C[NH3+])c1cccc(Br)c1 ZINC000160968533 346173469 /nfs/dbraw/zinc/17/34/69/346173469.db2.gz CXLDSIOWNMORBI-JOYOIKCWSA-N 1 0 254.171 3.076 10 0 CGAERO Cc1ccc([C@@H]2C[NH2+][C@H](C)C2)cc1Br ZINC000165042478 346183360 /nfs/dbraw/zinc/18/33/60/346183360.db2.gz LIHUVBREPMMRGT-KOLCDFICSA-N 1 0 254.171 3.223 10 0 CGAERO [NH3+]C[C@@]1(Cc2ccc(Br)s2)CCCS1 ZINC000166520087 346186955 /nfs/dbraw/zinc/18/69/55/346186955.db2.gz WQXMYDXOESCMPL-JTQLQIEISA-N 1 0 292.267 3.278 10 0 CGAERO Cc1cccc(-c2cc(C)cc3c2O[C@H](C[NH3+])C3)c1 ZINC000167294343 346188041 /nfs/dbraw/zinc/18/80/41/346188041.db2.gz FYSGVDMJFJDGKE-HNNXBMFYSA-N 1 0 253.345 3.233 10 0 CGAERO Fc1ccc(Br)c([C@@H]2CCCC[NH2+]2)c1 ZINC000218292162 346292496 /nfs/dbraw/zinc/29/24/96/346292496.db2.gz UDIGRCCELMIFMP-NSHDSACASA-N 1 0 258.134 3.403 10 0 CGAERO CN(C(=O)OC(C)(C)C)c1ccccc1[C@H]1CCC[NH2+]1 ZINC000218940450 346293832 /nfs/dbraw/zinc/29/38/32/346293832.db2.gz LMPWCMINGPYODN-CYBMUJFWSA-N 1 0 276.380 3.482 10 0 CGAERO CC[NH2+][C@@H]1CCc2c1c(F)ccc2Br ZINC000233572653 346329584 /nfs/dbraw/zinc/32/95/84/346329584.db2.gz GKZIJLNNKPXHFT-SNVBAGLBSA-N 1 0 258.134 3.185 10 0 CGAERO Cc1sc([C@@H]2C[NH2+][C@H](C)C2)cc1Br ZINC000227972967 346312828 /nfs/dbraw/zinc/31/28/28/346312828.db2.gz YWAJWLNTEPNOAG-SVRRBLITSA-N 1 0 260.200 3.284 10 0 CGAERO C[C@@H]1CC[C@@H]([C@@H]([NH3+])c2cscc2Br)O1 ZINC000229836657 346319300 /nfs/dbraw/zinc/31/93/00/346319300.db2.gz KKGZPRALDTWMGU-UASFKTIASA-N 1 0 276.199 3.078 10 0 CGAERO C[NH2+][C@@H](C)c1cc(F)c(F)cc1Br ZINC000238325857 346349210 /nfs/dbraw/zinc/34/92/10/346349210.db2.gz CCUZPGQKVLEPAF-YFKPBYRVSA-N 1 0 250.086 3.008 10 0 CGAERO [NH3+][C@H]1CCOc2c(Cl)cc(Br)c(F)c21 ZINC000238595031 346350415 /nfs/dbraw/zinc/35/04/15/346350415.db2.gz GRGUEOJVAYZYOT-LURJTMIESA-N 1 0 280.524 3.024 10 0 CGAERO CC(C)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000246203014 346359644 /nfs/dbraw/zinc/35/96/44/346359644.db2.gz JHKDSHIQFKPASH-BFYDXBDKSA-N 1 0 260.425 3.108 10 0 CGAERO [NH3+]Cc1occc1-c1cscc1Br ZINC000236263497 346339996 /nfs/dbraw/zinc/33/99/96/346339996.db2.gz RESOTWCIPIULGL-UHFFFAOYSA-N 1 0 258.140 3.229 10 0 CGAERO O[C@]12CCCC[C@@H]1C[N@H+](Cc1cccc(F)c1F)CC2 ZINC000128393452 187368251 /nfs/dbraw/zinc/36/82/51/187368251.db2.gz BJAVLHXTUGWNQY-CJNGLKHVSA-N 1 0 281.346 3.092 10 0 CGAERO C[C@H]1C[C@]2(C[N@@H+]1Cc1ccccc1)N[C@H](C)CCS2 ZINC000306149582 346451387 /nfs/dbraw/zinc/45/13/87/346451387.db2.gz AWNDXGCIXDNQCF-YCPHGPKFSA-N 1 0 276.449 3.092 10 0 CGAERO C[C@@H]([NH3+])[C@](C)(F)c1cc(Br)ccc1F ZINC000306244785 346452471 /nfs/dbraw/zinc/45/24/71/346452471.db2.gz PWDUFJPVSOUODO-LDWIPMOCSA-N 1 0 264.113 3.120 10 0 CGAERO C/C(=C/c1ccc(Br)o1)[C@@H]1CCC[NH2+]1 ZINC000306582886 346455425 /nfs/dbraw/zinc/45/54/25/346455425.db2.gz QMINTQIJCXTXRM-DMEOUFDRSA-N 1 0 256.143 3.197 10 0 CGAERO C/C(=C/c1cc(Br)ccc1F)[C@H](C)[NH3+] ZINC000381561030 346558698 /nfs/dbraw/zinc/55/86/98/346558698.db2.gz MCZVVCGKSQDNSU-TVSKSKRASA-N 1 0 258.134 3.339 10 0 CGAERO F[C@@]1(c2ccncc2)CC[N@H+](Cc2ccccc2)C1 ZINC000409432162 346606362 /nfs/dbraw/zinc/60/63/62/346606362.db2.gz UQDIYQKDCZJVNB-INIZCTEOSA-N 1 0 256.324 3.152 10 0 CGAERO C[C@@H]1C[C@H](c2ccccc2C(=O)OC(C)(C)C)C[NH2+]1 ZINC000536959957 346650685 /nfs/dbraw/zinc/65/06/85/346650685.db2.gz XNNNSOXOHSZSGF-NEPJUHHUSA-N 1 0 261.365 3.107 10 0 CGAERO COc1ccc(C(F)(F)F)c(C(F)(F)F)c1C[NH3+] ZINC000514264516 346636412 /nfs/dbraw/zinc/63/64/12/346636412.db2.gz YRPFYGXDIBETAV-UHFFFAOYSA-N 1 0 273.176 3.192 10 0 CGAERO [NH3+]C[C@H](c1cccc(F)c1)N1CCCc2ccccc21 ZINC000019771632 136578178 /nfs/dbraw/zinc/57/81/78/136578178.db2.gz BEMRHCXZAQJADI-QGZVFWFLSA-N 1 0 270.351 3.278 10 0 CGAERO Cc1ccc2c(c1)CCCN2Cc1ccccc1C[NH3+] ZINC000019806443 136578690 /nfs/dbraw/zinc/57/86/90/136578690.db2.gz QFRNGPODWRKICW-UHFFFAOYSA-N 1 0 266.388 3.407 10 0 CGAERO COCCCOc1cc(C[C@H]([NH3+])C(C)C)ccc1Cl ZINC000584595053 346686869 /nfs/dbraw/zinc/68/68/69/346686869.db2.gz WNFDLQYTLYBLOI-AWEZNQCLSA-N 1 0 285.815 3.281 10 0 CGAERO C[NH+](C)C[C@H](Cc1ccccc1)[C@](C)(O)c1ccccc1 ZINC000584596431 346687745 /nfs/dbraw/zinc/68/77/45/346687745.db2.gz CUJDBHRWYXOKRI-RBUKOAKNSA-N 1 0 283.415 3.315 10 0 CGAERO COc1cccnc1[C@H](CC[NH+](C)C)c1ccccc1 ZINC000584629117 346698583 /nfs/dbraw/zinc/69/85/83/346698583.db2.gz CPLVSGSOBMEDTG-OAHLLOKOSA-N 1 0 270.376 3.174 10 0 CGAERO C[C@](O)(c1cccc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000104122446 185898783 /nfs/dbraw/zinc/89/87/83/185898783.db2.gz AVRVKQBQIZOLRN-RHSMWYFYSA-N 1 0 255.361 3.047 10 0 CGAERO CC(C)(C)[N@@H+]1CCCC[C@H]1c1cccc(C(N)=O)c1 ZINC000616615894 348846336 /nfs/dbraw/zinc/84/63/36/348846336.db2.gz XFLLRJHYQYMAGA-AWEZNQCLSA-N 1 0 260.381 3.111 10 0 CGAERO Clc1ccccc1Cc1cnc([C@@H]2CCC[NH2+]2)o1 ZINC000616576146 348834380 /nfs/dbraw/zinc/83/43/80/348834380.db2.gz RRQKWPAUFWWBSS-ZDUSSCGKSA-N 1 0 262.740 3.343 10 0 CGAERO CCOC(=O)c1cccc([C@H]2c3ccccc3CC[N@H+]2C)c1 ZINC000616587300 348836989 /nfs/dbraw/zinc/83/69/89/348836989.db2.gz KMHZKRRQEMVYFX-SFHVURJKSA-N 1 0 295.382 3.441 10 0 CGAERO c1ccc2c(c1)CC[NH2+][C@@H]2c1ccnc2ccccc21 ZINC000616586518 348837295 /nfs/dbraw/zinc/83/72/95/348837295.db2.gz SZEITRSKGYARDJ-SFHVURJKSA-N 1 0 260.340 3.470 10 0 CGAERO 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3.207 10 0 CGAERO COc1ccccc1[C@@H]1CCOCC[N@@H+]1C(C)(C)C ZINC000616598859 348841521 /nfs/dbraw/zinc/84/15/21/348841521.db2.gz TVYYXTLLUNBAIG-AWEZNQCLSA-N 1 0 263.381 3.257 10 0 CGAERO COc1cccc([C@H]2COCCC[N@@H+]2C(C)(C)C)c1 ZINC000616600049 348841738 /nfs/dbraw/zinc/84/17/38/348841738.db2.gz ZFHZRXAYKLVIGR-OAHLLOKOSA-N 1 0 263.381 3.257 10 0 CGAERO NC(=O)c1cccc(C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000616621252 348848437 /nfs/dbraw/zinc/84/84/37/348848437.db2.gz MHWPOJHDUOTCKD-UHFFFAOYSA-N 1 0 294.398 3.165 10 0 CGAERO CC(=O)Nc1cccc([C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000616612942 348845797 /nfs/dbraw/zinc/84/57/97/348845797.db2.gz BYFJXKGOFLXNEN-AWEZNQCLSA-N 1 0 260.381 3.233 10 0 CGAERO c1cc([C@H]2CCCC[N@@H+](Cc3ccccc3)C2)on1 ZINC000616630430 348852783 /nfs/dbraw/zinc/85/27/83/348852783.db2.gz YAFWJRBZAUOTES-HNNXBMFYSA-N 1 0 256.349 3.444 10 0 CGAERO CC(C)[N@@H+]1CCOC[C@H]1c1cccc2cccnc21 ZINC000616642159 348854775 /nfs/dbraw/zinc/85/47/75/348854775.db2.gz XKJDOFRSAXASLD-HNNXBMFYSA-N 1 0 256.349 3.017 10 0 CGAERO CC(C)[N@@H+]1CCO[C@H](c2ccc3cccnc3c2)C1 ZINC000616649524 348856057 /nfs/dbraw/zinc/85/60/57/348856057.db2.gz XFEXVTHBSVCOGC-INIZCTEOSA-N 1 0 256.349 3.017 10 0 CGAERO CC(C)(C)OC(=O)Nc1ccc([C@@H]2CC[NH2+]CCO2)cc1 ZINC000616665397 348859715 /nfs/dbraw/zinc/85/97/15/348859715.db2.gz VYPJPZJCOPFVDP-AWEZNQCLSA-N 1 0 292.379 3.085 10 0 CGAERO CNc1ccccc1[C@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC000616664206 348859980 /nfs/dbraw/zinc/85/99/80/348859980.db2.gz XDKNOMKBMPCJLO-QGZVFWFLSA-N 1 0 296.414 3.344 10 0 CGAERO CC(C)(C)[N@@H+]1CCc2ccccc2[C@H]1c1ccncn1 ZINC000616679307 348864874 /nfs/dbraw/zinc/86/48/74/348864874.db2.gz RHJGTLKHSKSKCA-INIZCTEOSA-N 1 0 267.376 3.223 10 0 CGAERO CC1(C[NH2+]C[C@H](O)c2cc(F)ccc2F)CCCC1 ZINC000104437722 186002300 /nfs/dbraw/zinc/00/23/00/186002300.db2.gz NFRRRANYIWYIDG-AWEZNQCLSA-N 1 0 269.335 3.168 10 0 CGAERO CC[C@@H]([NH3+])Cc1ccc(SC2CCOCC2)c(F)c1 ZINC000104443369 186004287 /nfs/dbraw/zinc/00/42/87/186004287.db2.gz IQEXLUSIFFRDKA-GFCCVEGCSA-N 1 0 283.412 3.377 10 0 CGAERO c1ccc2c(c1)OCC[C@H]2[NH2+]CCOC1CCCC1 ZINC000104442594 186003875 /nfs/dbraw/zinc/00/38/75/186003875.db2.gz UZBYERNFNZOPNI-OAHLLOKOSA-N 1 0 261.365 3.059 10 0 CGAERO C[C@@H]([NH3+])c1nc2cccc(F)c2n1-c1ccccc1 ZINC000091692135 180228445 /nfs/dbraw/zinc/22/84/45/180228445.db2.gz BQFVGDNNCHAEIK-SNVBAGLBSA-N 1 0 255.296 3.184 10 0 CGAERO [NH3+]CCCNc1ccc(SC2CCCC2)cc1 ZINC000107294899 186168269 /nfs/dbraw/zinc/16/82/69/186168269.db2.gz JXTAPYPMZSEBBD-UHFFFAOYSA-N 1 0 250.411 3.482 10 0 CGAERO CCC[C@H]([NH3+])Cc1nc([C@H]2CCC[C@H](C)C2)no1 ZINC000109516071 186259064 /nfs/dbraw/zinc/25/90/64/186259064.db2.gz MQAYLKNVHLREJC-SRVKXCTJSA-N 1 0 251.374 3.033 10 0 CGAERO Cc1sc2ncnc(N3CCCCC[C@H]([NH3+])C3)c2c1C ZINC000630550103 350852320 /nfs/dbraw/zinc/85/23/20/350852320.db2.gz PSCQXXLIZTZJOD-LBPRGKRZSA-N 1 0 290.436 3.016 10 0 CGAERO Cn1cccc1C[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000122388972 187030077 /nfs/dbraw/zinc/03/00/77/187030077.db2.gz UKPILDYPBFOBRC-MRXNPFEDSA-N 1 0 258.340 3.331 10 0 CGAERO Cc1cnn(CC[NH2+][C@H]2CCc3c2cccc3Cl)c1 ZINC000152836439 188047203 /nfs/dbraw/zinc/04/72/03/188047203.db2.gz MVXMSABHFSYENY-HNNXBMFYSA-N 1 0 275.783 3.122 10 0 CGAERO CCCOc1ccc([C@H](C)[NH2+]Cc2cn(C)nc2C)cc1 ZINC000157704789 188333264 /nfs/dbraw/zinc/33/32/64/188333264.db2.gz HKWRETSNSPWSQG-ZDUSSCGKSA-N 1 0 287.407 3.368 10 0 CGAERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccc(-n2ccnc2)cc1 ZINC000158215749 188364237 /nfs/dbraw/zinc/36/42/37/188364237.db2.gz BRVMSASPLFXFFQ-ZVZYQTTQSA-N 1 0 299.418 3.074 10 0 CGAERO CC(C)[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl ZINC000159014119 188404602 /nfs/dbraw/zinc/40/46/02/188404602.db2.gz SVLQTUZCENLWLH-GHMZBOCLSA-N 1 0 283.803 3.086 10 0 CGAERO OC[C@@H]1CCCC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000377242870 234848396 /nfs/dbraw/zinc/84/83/96/234848396.db2.gz UAYKXXNBFBPZLW-GFCCVEGCSA-N 1 0 271.763 3.074 10 0 CGAERO CC(C)c1nc(C[NH2+]C2C3CC4CC(C3)CC2C4)no1 ZINC000328774165 202050509 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[NH3+]C[C@H]1CCC[C@H]1C(=O)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000261712686 283513975 /nfs/dbraw/zinc/51/39/75/283513975.db2.gz JIAQEXAHPSRAON-OLMNPRSZSA-N 1 0 298.430 3.040 10 0 CGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(F)cc1Cl ZINC000176994683 189019445 /nfs/dbraw/zinc/01/94/45/189019445.db2.gz HBGYXKFSNNZJDW-LBPRGKRZSA-N 1 0 298.789 3.035 10 0 CGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCCOc1ccccc1 ZINC000178286684 189103017 /nfs/dbraw/zinc/10/30/17/189103017.db2.gz QOZRBMLYTLUEFK-QGZVFWFLSA-N 1 0 299.418 3.125 10 0 CGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCc1ccc(C)cc1 ZINC000178748523 189142564 /nfs/dbraw/zinc/14/25/64/189142564.db2.gz DFGNCGOCTOVKSH-GOSISDBHSA-N 1 0 283.419 3.207 10 0 CGAERO C[C@H](COCc1ccccc1)[NH2+][C@H](C)c1ccncc1 ZINC000179389150 189190632 /nfs/dbraw/zinc/19/06/32/189190632.db2.gz SYTSINHELPKOSM-HUUCEWRRSA-N 1 0 270.376 3.338 10 0 CGAERO CCn1c(C)nnc1C[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000181772480 189306232 /nfs/dbraw/zinc/30/62/32/189306232.db2.gz DOIWEYQOBMYDCN-ZDUSSCGKSA-N 1 0 286.423 3.062 10 0 CGAERO CC[C@@](C)(O)C[N@H+](C)Cc1ccc(Br)cc1 ZINC000119408365 370673800 /nfs/dbraw/zinc/67/38/00/370673800.db2.gz ZSXJGEASYXSAPC-CYBMUJFWSA-N 1 0 286.213 3.042 10 0 CGAERO Cc1cccc2c(NC[C@@H](O)C(C)(C)C)cc[nH+]c12 ZINC000301697750 201146789 /nfs/dbraw/zinc/14/67/89/201146789.db2.gz ZRPXURQWGPAXCA-CQSZACIVSA-N 1 0 258.365 3.362 10 0 CGAERO Cc1nc(C(F)(F)F)c(C[NH2+][C@@H](C)[C@@H]2CCCO2)s1 ZINC000183670521 189365764 /nfs/dbraw/zinc/36/57/64/189365764.db2.gz VFAUOZXMEOULQW-CBAPKCEASA-N 1 0 294.342 3.127 10 0 CGAERO CC/C=C/CC[N@@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000184534795 189388583 /nfs/dbraw/zinc/38/85/83/189388583.db2.gz UNLLIQAHYHBENJ-VOTSOKGWSA-N 1 0 261.413 3.258 10 0 CGAERO COc1cccc(NC(=O)C[NH2+][C@@H](C)c2ccccc2C)c1 ZINC000120497589 370774534 /nfs/dbraw/zinc/77/45/34/370774534.db2.gz XSNXPRYUYNNYPU-AWEZNQCLSA-N 1 0 298.386 3.293 10 0 CGAERO CC(C)(C)c1nc(C[NH2+][C@@H]2CCCC[C@H]2CO)cs1 ZINC000219008348 376193527 /nfs/dbraw/zinc/19/35/27/376193527.db2.gz 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[NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000089449218 165207821 /nfs/dbraw/zinc/20/78/21/165207821.db2.gz RLTKBKWMCLBDSL-PSASIEDQSA-N 1 0 287.190 3.307 10 0 CGAERO CCCCC[C@H](C)[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000089733186 165213042 /nfs/dbraw/zinc/21/30/42/165213042.db2.gz LOLGVBJVSVGNOU-GJZGRUSLSA-N 1 0 276.428 3.004 10 0 CGAERO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089733322 165215478 /nfs/dbraw/zinc/21/54/78/165215478.db2.gz DETWJHVUSANDCD-ARFHVFGLSA-N 1 0 290.455 3.250 10 0 CGAERO CC(C)C(=O)NCCC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000090881209 287105278 /nfs/dbraw/zinc/10/52/78/287105278.db2.gz ZQFBKROWQCTVFG-GJZGRUSLSA-N 1 0 282.472 3.343 10 0 CGAERO CCn1cccc1C[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000091022773 165249626 /nfs/dbraw/zinc/24/96/26/165249626.db2.gz JREJQJRCEJGNFX-INIZCTEOSA-N 1 0 287.407 3.028 10 0 CGAERO CCCn1ccc(C[NH2+]Cc2cc(F)ccc2F)c1 ZINC000091015810 165250627 /nfs/dbraw/zinc/25/06/27/165250627.db2.gz QPVHVCOHFJVJDL-UHFFFAOYSA-N 1 0 264.319 3.466 10 0 CGAERO CCn1cccc1C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000091024417 165251754 /nfs/dbraw/zinc/25/17/54/165251754.db2.gz RNBFEFZRUGQOSG-ZDUSSCGKSA-N 1 0 286.375 3.130 10 0 CGAERO OC1CC(C[NH2+]C(c2ccccc2)c2ccccc2)C1 ZINC000091425375 287108148 /nfs/dbraw/zinc/10/81/48/287108148.db2.gz PBLLUTBAHJDWDQ-UHFFFAOYSA-N 1 0 267.372 3.137 10 0 CGAERO OC1CC(C[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC000091525550 287108534 /nfs/dbraw/zinc/10/85/34/287108534.db2.gz KSUKEYJGCVZGCQ-BNICSPFPSA-N 1 0 259.393 3.073 10 0 CGAERO OCCC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1F ZINC000092785191 165312736 /nfs/dbraw/zinc/31/27/36/165312736.db2.gz PVTLGJGRQKUQNW-ZDUSSCGKSA-N 1 0 271.763 3.216 10 0 CGAERO Cc1c(C[NH2+][C@H](C)c2ccc(OC(C)C)cc2)cnn1C ZINC000093649439 165335823 /nfs/dbraw/zinc/33/58/23/165335823.db2.gz HMGCAKRVXYTRBQ-CYBMUJFWSA-N 1 0 287.407 3.367 10 0 CGAERO CC[N@@H+]1CCC[C@@H](Nc2ncc(Br)cc2C)C1 ZINC000094050668 165344000 /nfs/dbraw/zinc/34/40/00/165344000.db2.gz KCHMUXFXADJHIF-GFCCVEGCSA-N 1 0 298.228 3.049 10 0 CGAERO CCN1CCC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000094519304 165352221 /nfs/dbraw/zinc/35/22/21/165352221.db2.gz SRTKMVNQLJRSOC-KRWDZBQOSA-N 1 0 258.409 3.138 10 0 CGAERO Cc1c(C[NH2+][C@@H](C)c2ccccc2OC(C)C)cnn1C ZINC000093649851 287117975 /nfs/dbraw/zinc/11/79/75/287117975.db2.gz RFBFEIHHBTULQP-ZDUSSCGKSA-N 1 0 287.407 3.367 10 0 CGAERO CC(C)(C)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000109130102 287127865 /nfs/dbraw/zinc/12/78/65/287127865.db2.gz NXAYNWXBAUPDFH-GFCCVEGCSA-N 1 0 270.417 3.022 10 0 CGAERO CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCCN(CC)C1 ZINC000116386601 287157191 /nfs/dbraw/zinc/15/71/91/287157191.db2.gz BYHFLDRWJKVNGK-SJORKVTESA-N 1 0 260.425 3.082 10 0 CGAERO CC[N@H+](Cc1nnc(C2CC2)n1C)[C@@H]1CCCC[C@@H]1C ZINC000120031275 287176937 /nfs/dbraw/zinc/17/69/37/287176937.db2.gz FSEWICSHHQCAIJ-GXTWGEPZSA-N 1 0 276.428 3.093 10 0 CGAERO CC[N@H+](C[C@H](O)COC(C)(C)C)[C@@H]1CCCC[C@@H]1C ZINC000120043294 287177324 /nfs/dbraw/zinc/17/73/24/287177324.db2.gz XMYLGCYSQSTLHA-SOUVJXGZSA-N 1 0 271.445 3.063 10 0 CGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(Cl)c1 ZINC000246846140 287229393 /nfs/dbraw/zinc/22/93/93/287229393.db2.gz BXFKEEANFRNCAM-CABCVRRESA-N 1 0 292.810 3.039 10 0 CGAERO CCc1cn2c3ccccc3nc2n1CC[NH+](CC)CC ZINC000005285509 170082635 /nfs/dbraw/zinc/08/26/35/170082635.db2.gz KFVPDTODWVBZBI-UHFFFAOYSA-N 1 0 284.407 3.193 10 0 CGAERO CC(C)[C@@H](C)CC(C)(C)n1nc(-c2ccccc2)n[n+]1C ZINC000005384548 170093105 /nfs/dbraw/zinc/09/31/05/170093105.db2.gz KQLJOXTUBWLQCV-AWEZNQCLSA-N 1 0 287.431 3.187 10 0 CGAERO O=C(c1ccc(Cl)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000011630756 170429196 /nfs/dbraw/zinc/42/91/96/170429196.db2.gz MOTKXMBCDUEPRE-VIFPVBQESA-N 1 0 258.148 3.176 10 0 CGAERO c1sc(C[C@H]2CCC[NH2+]2)nc1Cc1ccccc1 ZINC000011883901 170451737 /nfs/dbraw/zinc/45/17/37/170451737.db2.gz CWPMBGIILYGBBV-CYBMUJFWSA-N 1 0 258.390 3.028 10 0 CGAERO c1csc(-c2csc(C[C@@H]3CCC[NH2+]3)n2)c1 ZINC000011883934 170451997 /nfs/dbraw/zinc/45/19/97/170451997.db2.gz DJIMACQGYNCNHM-VIFPVBQESA-N 1 0 250.392 3.166 10 0 CGAERO Cc1nc2ccccc2n1[C@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000019386937 170779709 /nfs/dbraw/zinc/77/97/09/170779709.db2.gz NADXGZFXGQQGGK-DLBZAZTESA-N 1 0 263.344 3.142 10 0 CGAERO [NH3+]C[C@@H](Oc1ccc2c(c1)CCC2)c1ccc(F)cc1 ZINC000019671533 170835993 /nfs/dbraw/zinc/83/59/93/170835993.db2.gz FMEKPXRJEXYBRP-QGZVFWFLSA-N 1 0 271.335 3.393 10 0 CGAERO COc1cc([C@H](C)[NH2+]CCc2cccs2)ccc1O ZINC000019949164 170938447 /nfs/dbraw/zinc/93/84/47/170938447.db2.gz XXWIIWGBZXKAPM-NSHDSACASA-N 1 0 277.389 3.356 10 0 CGAERO c1coc([C@@H]([NH2+]C[C@H]2CCCO2)c2ccccc2)c1 ZINC000019963806 170945239 /nfs/dbraw/zinc/94/52/39/170945239.db2.gz YOUUHFWLCZSFQK-ZBFHGGJFSA-N 1 0 257.333 3.138 10 0 CGAERO [NH3+][C@@H](CC1CCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000019968176 170949826 /nfs/dbraw/zinc/94/98/26/170949826.db2.gz GRSLAEBWISMTEH-AWEZNQCLSA-N 1 0 258.365 3.151 10 0 CGAERO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCC(=O)N1CCCC1 ZINC000020127162 171011484 /nfs/dbraw/zinc/01/14/84/171011484.db2.gz NZUSGRXBDRODDF-JYJNAYRXSA-N 1 0 280.456 3.049 10 0 CGAERO C[C@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1cccnc1 ZINC000020129345 171017093 /nfs/dbraw/zinc/01/70/93/171017093.db2.gz ZGJZJMITLODXAH-YOEHRIQHSA-N 1 0 269.392 3.035 10 0 CGAERO COc1cc(C[NH2+][C@@H]2CCc3ccccc32)ccc1O ZINC000020129636 171017881 /nfs/dbraw/zinc/01/78/81/171017881.db2.gz ZCBYUIYFKWHVJD-OAHLLOKOSA-N 1 0 269.344 3.178 10 0 CGAERO CC(C)[C@@H](CNCc1ccccc1Cl)[NH+](C)C ZINC000020145395 171030345 /nfs/dbraw/zinc/03/03/45/171030345.db2.gz QNSXSCUIVSYAGW-CQSZACIVSA-N 1 0 254.805 3.016 10 0 CGAERO Cc1ccccc1CN(C)[C@H](C[NH3+])c1ccccc1C ZINC000020225431 171088823 /nfs/dbraw/zinc/08/88/23/171088823.db2.gz FJBUQYGUZJUZHF-GOSISDBHSA-N 1 0 268.404 3.435 10 0 CGAERO [NH3+]CCCN(Cc1ccccc1F)c1ccccc1 ZINC000020236880 171096449 /nfs/dbraw/zinc/09/64/49/171096449.db2.gz NEYWGRLLHKSTPJ-UHFFFAOYSA-N 1 0 258.340 3.181 10 0 CGAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(Cl)c1Cl ZINC000020246474 171100513 /nfs/dbraw/zinc/10/05/13/171100513.db2.gz CEPGERRQEJZRMX-WRWORJQWSA-N 1 0 275.179 3.305 10 0 CGAERO [NH3+][C@H]1c2ccccc2CC[C@H]1Oc1cccc(F)c1 ZINC000020262672 171120530 /nfs/dbraw/zinc/12/05/30/171120530.db2.gz VBBBNOXIYONXFM-CVEARBPZSA-N 1 0 257.308 3.219 10 0 CGAERO Cc1ccc(-n2cc(C[NH3+])c(-c3ccccc3)n2)cc1 ZINC000020390703 171179442 /nfs/dbraw/zinc/17/94/42/171179442.db2.gz IKYAJCXUFFLDMB-UHFFFAOYSA-N 1 0 263.344 3.306 10 0 CGAERO Cc1ccsc1[C@@H]([NH3+])Cc1nc2ccccc2o1 ZINC000020427581 171193245 /nfs/dbraw/zinc/19/32/45/171193245.db2.gz GXCVYWKHLNXOFI-JTQLQIEISA-N 1 0 258.346 3.440 10 0 CGAERO COc1ccc([C@H]([NH3+])c2cc(C)sc2C)cc1OC ZINC000020431503 171196186 /nfs/dbraw/zinc/19/61/86/171196186.db2.gz CYXSONZQAMKKFV-HNNXBMFYSA-N 1 0 277.389 3.430 10 0 CGAERO Cc1ccc(Cl)cc1N[C@@H]1C[NH+]2CCC1CC2 ZINC000020440207 171203864 /nfs/dbraw/zinc/20/38/64/171203864.db2.gz WYJVMFAKBPKJBT-CQSZACIVSA-N 1 0 250.773 3.155 10 0 CGAERO COc1ccc([C@H]([NH3+])c2ccccc2OC)cc1Cl ZINC000020521871 171234911 /nfs/dbraw/zinc/23/49/11/171234911.db2.gz INVIXQPKJPMNAE-HNNXBMFYSA-N 1 0 277.751 3.405 10 0 CGAERO CC[NH+]1CCC(Nc2ccc(F)cc2Cl)CC1 ZINC000020595237 171264178 /nfs/dbraw/zinc/26/41/78/171264178.db2.gz YKOQVMZAHXAKJL-UHFFFAOYSA-N 1 0 256.752 3.375 10 0 CGAERO c1cc2c(cc1C[NH2+]C1C3CC4CC(C3)CC1C4)OCCO2 ZINC000020876103 171277337 /nfs/dbraw/zinc/27/73/37/171277337.db2.gz FQIAZDWLZPFNHW-UHFFFAOYSA-N 1 0 299.414 3.372 10 0 CGAERO CCCOc1ccc2ccccc2c1C[NH2+]C(C)(C)CO ZINC000020930506 171281210 /nfs/dbraw/zinc/28/12/10/171281210.db2.gz SJKRBIZHUKNNEL-UHFFFAOYSA-N 1 0 287.403 3.489 10 0 CGAERO CCn1cc(C[NH2+]CCCn2ccnc2)c2ccccc21 ZINC000020935270 171281708 /nfs/dbraw/zinc/28/17/08/171281708.db2.gz RSIGGPJVCMRSIZ-UHFFFAOYSA-N 1 0 282.391 3.038 10 0 CGAERO CCC[C@H]([NH3+])[C@H](CC)Oc1ccc(OCC)cc1 ZINC000021060909 171297175 /nfs/dbraw/zinc/29/71/75/171297175.db2.gz PVMHHWTUIDBJLP-GJZGRUSLSA-N 1 0 251.370 3.370 10 0 CGAERO COCCO[C@@H]1CCCCCCCCCC[C@@H]1[NH3+] ZINC000021817241 171333056 /nfs/dbraw/zinc/33/30/56/171333056.db2.gz DMBSPNCPHGDQQE-LSDHHAIUSA-N 1 0 257.418 3.260 10 0 CGAERO C[C@H]1C[C@H]1c1ccc([C@@H](C[NH3+])N2CCC(C)CC2)o1 ZINC000022164995 171365062 /nfs/dbraw/zinc/36/50/62/171365062.db2.gz CBIIWVVLWZZLAO-BFHYXJOUSA-N 1 0 262.397 3.135 10 0 CGAERO C[C@H]1CCCCN1[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000022165415 171365822 /nfs/dbraw/zinc/36/58/22/171365822.db2.gz KPHHBITVXITFLF-FZMZJTMJSA-N 1 0 252.789 3.214 10 0 CGAERO Cc1ccc(C(=O)Nc2ccccc2[C@H](C)[NH3+])cc1F ZINC000022173262 171369124 /nfs/dbraw/zinc/36/91/24/171369124.db2.gz XRUCVOPCHGHHTG-NSHDSACASA-N 1 0 272.323 3.406 10 0 CGAERO [NH3+]C[C@@H](c1c(F)cccc1F)N1CCc2sccc2C1 ZINC000022175008 171369647 /nfs/dbraw/zinc/36/96/47/171369647.db2.gz AJXCCTLGJWPSCE-ZDUSSCGKSA-N 1 0 294.370 3.084 10 0 CGAERO C[C@@H]([NH3+])c1ccc(NC(=O)Nc2ccccc2F)cc1 ZINC000022176692 171371193 /nfs/dbraw/zinc/37/11/93/171371193.db2.gz ZFBWWPWBBNFKDL-SNVBAGLBSA-N 1 0 273.311 3.489 10 0 CGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CC(=O)Nc1ccc(Cl)c(N)c1 ZINC000022211089 171373500 /nfs/dbraw/zinc/37/35/00/171373500.db2.gz HAHVBQWHVYUOOE-GHMZBOCLSA-N 1 0 295.814 3.124 10 0 CGAERO [NH3+]C[C@H](c1ccc(F)cc1F)N1CCc2ccccc21 ZINC000022214080 171375028 /nfs/dbraw/zinc/37/50/28/171375028.db2.gz CBFZGFWSHPOCFR-MRXNPFEDSA-N 1 0 274.314 3.027 10 0 CGAERO COc1ccc([C@H]([NH3+])[C@H](C)Oc2ccc(F)cc2)cc1 ZINC000022566675 171392581 /nfs/dbraw/zinc/39/25/81/171392581.db2.gz VOMJAOKEEOZVOB-MEDUHNTESA-N 1 0 275.323 3.302 10 0 CGAERO O[C@H](c1ccnc2c(Cl)cccc12)[C@@H]1CCCC[NH2+]1 ZINC000027525385 171519166 /nfs/dbraw/zinc/51/91/66/171519166.db2.gz HCQBIDHITBJYIX-DZGCQCFKSA-N 1 0 276.767 3.064 10 0 CGAERO CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC000035221878 172064800 /nfs/dbraw/zinc/06/48/00/172064800.db2.gz MPHKZTRDZZZNQP-SUMWQHHRSA-N 1 0 288.435 3.347 10 0 CGAERO Cc1ccsc1[C@H]([NH3+])c1cnn(-c2ccccc2)c1 ZINC000035381924 172164298 /nfs/dbraw/zinc/16/42/98/172164298.db2.gz AAFAWLNWLMHBTB-CQSZACIVSA-N 1 0 269.373 3.290 10 0 CGAERO COc1ccc([C@@H]([NH3+])Cc2ccc(F)cc2)cc1F ZINC000035424242 172192837 /nfs/dbraw/zinc/19/28/37/172192837.db2.gz VQDBXOUKCZKRMC-AWEZNQCLSA-N 1 0 263.287 3.216 10 0 CGAERO C[NH2+][C@@H](c1ccoc1)c1ccc(OC)c(Br)c1 ZINC000035455013 172207023 /nfs/dbraw/zinc/20/70/23/172207023.db2.gz DNAHFWUHMJEFKK-CYBMUJFWSA-N 1 0 296.164 3.360 10 0 CGAERO C[NH2+][C@H](Cc1ccc(OC)cc1)c1ccc(F)cc1 ZINC000035464000 172211647 /nfs/dbraw/zinc/21/16/47/172211647.db2.gz PTFCHFFTBZSAIW-MRXNPFEDSA-N 1 0 259.324 3.338 10 0 CGAERO C[NH2+][C@H](c1ccsc1)c1ccc(CCOC)cc1 ZINC000035467401 172215780 /nfs/dbraw/zinc/21/57/80/172215780.db2.gz UWKLNGAOXWSCLQ-HNNXBMFYSA-N 1 0 261.390 3.246 10 0 CGAERO C[NH2+][C@@H](c1cccs1)c1cc(OC)cc(OC)c1 ZINC000035488172 172222733 /nfs/dbraw/zinc/22/27/33/172222733.db2.gz XKKGEFLWLMQVLO-CQSZACIVSA-N 1 0 263.362 3.074 10 0 CGAERO C[NH2+][C@@H](c1cccs1)c1c(OC)cccc1OC ZINC000035488306 172222744 /nfs/dbraw/zinc/22/27/44/172222744.db2.gz GMIUWXYMEUUOOL-AWEZNQCLSA-N 1 0 263.362 3.074 10 0 CGAERO C[NH2+][C@@H](CC(C)(C)C)c1ccc(OC)cc1OC ZINC000035488923 172224037 /nfs/dbraw/zinc/22/40/37/172224037.db2.gz NJWKQMPXWHQHLN-ZDUSSCGKSA-N 1 0 251.370 3.401 10 0 CGAERO CCOc1ccc([C@@H]([NH2+]C)C(C)C)cc1OCC ZINC000035489230 172224077 /nfs/dbraw/zinc/22/40/77/172224077.db2.gz BEFYLBNRAHCTMJ-HNNXBMFYSA-N 1 0 251.370 3.401 10 0 CGAERO C[NH2+][C@H](c1cc(C)oc1C)c1ccc(F)cc1F ZINC000035491543 172225570 /nfs/dbraw/zinc/22/55/70/172225570.db2.gz MTJSQDIKPOFUBE-AWEZNQCLSA-N 1 0 251.276 3.483 10 0 CGAERO C[NH2+][C@@H](Cc1ncc[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000035504003 172237823 /nfs/dbraw/zinc/23/78/23/172237823.db2.gz QHFZSODFRWLHHS-NSHDSACASA-N 1 0 270.163 3.220 10 0 CGAERO C[NH2+][C@H](c1ccsc1)c1ccc(OC)c(F)c1 ZINC000035507429 172240017 /nfs/dbraw/zinc/24/00/17/172240017.db2.gz CXLSBEBBQOYELI-ZDUSSCGKSA-N 1 0 251.326 3.205 10 0 CGAERO [NH3+][C@H](Cc1nc2ccccc2[nH]1)c1ccccc1Cl ZINC000035576263 172273245 /nfs/dbraw/zinc/27/32/45/172273245.db2.gz DKBJRHSVOUANKT-GFCCVEGCSA-N 1 0 271.751 3.459 10 0 CGAERO CCC[NH2+][C@H](CCc1ccccc1)c1cnn(C)c1 ZINC000035584261 172283619 /nfs/dbraw/zinc/28/36/19/172283619.db2.gz SMDGSXNCMSCVNU-MRXNPFEDSA-N 1 0 257.381 3.094 10 0 CGAERO Cc1ccc([C@H]([NH2+][C@H](C)CO)c2ccccc2)c(C)c1 ZINC000035602763 172290937 /nfs/dbraw/zinc/29/09/37/172290937.db2.gz RESFRMGNNWUUJO-CRAIPNDOSA-N 1 0 269.388 3.363 10 0 CGAERO CC[NH2+][C@H](C)c1ccc(NC(=O)c2ccoc2)cc1 ZINC000035635103 172319292 /nfs/dbraw/zinc/31/92/92/172319292.db2.gz HSIPZBFRDAYGDC-LLVKDONJSA-N 1 0 258.321 3.202 10 0 CGAERO CC[NH2+][C@H]1COc2c1cc(Br)cc2Cl ZINC000035653769 172330764 /nfs/dbraw/zinc/33/07/64/172330764.db2.gz APHHQIYLBXLTGU-VIFPVBQESA-N 1 0 276.561 3.146 10 0 CGAERO CN(Cc1cccs1)C1(C[NH3+])CCCCCC1 ZINC000035717200 172370998 /nfs/dbraw/zinc/37/09/98/172370998.db2.gz WOPVJPFSGNMMDB-UHFFFAOYSA-N 1 0 252.427 3.232 10 0 CGAERO Cn1ccnc1S[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000035722678 172378110 /nfs/dbraw/zinc/37/81/10/172378110.db2.gz VGBXLMKJGIJQAG-JHJVBQTASA-N 1 0 281.469 3.302 10 0 CGAERO [NH3+]C[C@@H]1CCC[C@H]1Sc1ccc(C(F)(F)F)cn1 ZINC000035723705 172378984 /nfs/dbraw/zinc/37/89/84/172378984.db2.gz IECVRLRSMKHDAM-WCBMZHEXSA-N 1 0 276.327 3.320 10 0 CGAERO [NH3+]C[C@@H]1CCCC[C@H]1Sc1nc2ccccc2o1 ZINC000035724439 172379524 /nfs/dbraw/zinc/37/95/24/172379524.db2.gz OAKGJECNVGIBHP-GXFFZTMASA-N 1 0 262.378 3.437 10 0 CGAERO [NH3+][C@H](Cc1ccccn1)c1cc(F)cc(Br)c1 ZINC000037034483 172902961 /nfs/dbraw/zinc/90/29/61/172902961.db2.gz YTKRSAOAYYVMTR-CYBMUJFWSA-N 1 0 295.155 3.226 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000037167186 173001254 /nfs/dbraw/zinc/00/12/54/173001254.db2.gz PGWPPSUWBYXZNY-DZGCQCFKSA-N 1 0 264.413 3.019 10 0 CGAERO [NH3+]CC[C@@H](O[C@@H]1CCCc2ccccc21)C(F)(F)F ZINC000037179360 173013031 /nfs/dbraw/zinc/01/30/31/173013031.db2.gz KAQSGULVZNMJEI-CHWSQXEVSA-N 1 0 273.298 3.360 10 0 CGAERO C[N@@H+]1CCCC[C@H]1CCSc1ccc(N)cc1F ZINC000037194018 173022758 /nfs/dbraw/zinc/02/27/58/173022758.db2.gz PZAWQQRGWFWDJB-LBPRGKRZSA-N 1 0 268.401 3.374 10 0 CGAERO CC[NH+]1CCC([C@H](C)Nc2cccc(F)c2)CC1 ZINC000037209857 173031752 /nfs/dbraw/zinc/03/17/52/173031752.db2.gz CXXNPMCPIQTHLE-LBPRGKRZSA-N 1 0 250.361 3.358 10 0 CGAERO CCOc1ccc(Br)cc1[C@H]([NH3+])CC ZINC000037225742 173045495 /nfs/dbraw/zinc/04/54/95/173045495.db2.gz JSYNSESODMAJIR-SNVBAGLBSA-N 1 0 258.159 3.258 10 0 CGAERO CCOc1ccc(Oc2ccc(F)cc2C[NH3+])cc1 ZINC000037237492 173055203 /nfs/dbraw/zinc/05/52/03/173055203.db2.gz DPTRWZHVJJOIIW-UHFFFAOYSA-N 1 0 261.296 3.475 10 0 CGAERO CCCc1ccc(NC(=O)[C@@H]2CCC[C@H](C)[NH2+]2)cc1 ZINC000037287548 173093152 /nfs/dbraw/zinc/09/31/52/173093152.db2.gz DQGFIPOZIOFORM-WFASDCNBSA-N 1 0 260.381 3.108 10 0 CGAERO Cc1ccc(N(CCC[NH3+])c2ccc(C)cn2)cc1 ZINC000037297564 173101476 /nfs/dbraw/zinc/10/14/76/173101476.db2.gz MULLPSKDAREYCL-UHFFFAOYSA-N 1 0 255.365 3.185 10 0 CGAERO Cc1ncsc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]1n1ccnc1 ZINC000037314080 173115811 /nfs/dbraw/zinc/11/58/11/173115811.db2.gz MXBXDQMXOZXDEA-XQQFMLRXSA-N 1 0 276.409 3.092 10 0 CGAERO CC[C@H](C)[N@H+](CC)CC(=O)c1ccc(C)cc1OC ZINC000037336548 173137868 /nfs/dbraw/zinc/13/78/68/173137868.db2.gz RSTCGVGJXVFKPM-ZDUSSCGKSA-N 1 0 263.381 3.307 10 0 CGAERO [NH3+][C@@H]1CCOc2ccc(OCc3ccccc3)cc21 ZINC000037337224 173138666 /nfs/dbraw/zinc/13/86/66/173138666.db2.gz QEDVPBUBRXMUDU-OAHLLOKOSA-N 1 0 255.317 3.048 10 0 CGAERO Cc1ccccc1[C@H]([NH3+])c1ccc2c(c1)CCCC(=O)N2 ZINC000037371291 173160102 /nfs/dbraw/zinc/16/01/02/173160102.db2.gz QUOZWTIBWBIZJY-GOSISDBHSA-N 1 0 280.371 3.318 10 0 CGAERO CCC[C@@H](C)[C@@H]([NH3+])c1ccc2c(c1)CCCC(=O)N2 ZINC000037371331 173160659 /nfs/dbraw/zinc/16/06/59/173160659.db2.gz TUKLMBBZPZGZEN-BDJLRTHQSA-N 1 0 260.381 3.397 10 0 CGAERO O[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000037378046 173166691 /nfs/dbraw/zinc/16/66/91/173166691.db2.gz PLITWGRAFLODBE-JOYOIKCWSA-N 1 0 260.164 3.026 10 0 CGAERO COC(=O)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000037424693 173199489 /nfs/dbraw/zinc/19/94/89/173199489.db2.gz VNKPMCQQVDIKIZ-UHFFFAOYSA-N 1 0 276.163 3.036 10 0 CGAERO CC(C)c1ccccc1NC(=O)C1CCC([NH3+])CC1 ZINC000037622904 173575907 /nfs/dbraw/zinc/57/59/07/173575907.db2.gz MSJWJCYSWQFKSB-UHFFFAOYSA-N 1 0 260.381 3.266 10 0 CGAERO CCCOc1ccc(C[C@H](C)[NH3+])c(OC/C=C/Cl)c1 ZINC000037722171 173640508 /nfs/dbraw/zinc/64/05/08/173640508.db2.gz LMATYKIYPBELBF-NTYUQYKDSA-N 1 0 283.799 3.496 10 0 CGAERO Cc1cccc(COc2ccccc2C[C@@H](C)[NH3+])c1 ZINC000037724254 173643158 /nfs/dbraw/zinc/64/31/58/173643158.db2.gz AUOCTNSVMNBVPD-CQSZACIVSA-N 1 0 255.361 3.464 10 0 CGAERO CCCCN(C(=O)CCCCCC[NH3+])[C@@H](C)CC ZINC000037809895 173753237 /nfs/dbraw/zinc/75/32/37/173753237.db2.gz HVDWRFPWVYEQQD-AWEZNQCLSA-N 1 0 256.434 3.323 10 0 CGAERO C[C@H](CNc1ccc(Br)cn1)[NH+]1CCCCC1 ZINC000038029339 174019303 /nfs/dbraw/zinc/01/93/03/174019303.db2.gz QHRIVEZJMBZNKD-LLVKDONJSA-N 1 0 298.228 3.130 10 0 CGAERO [NH3+]CCN(Cc1ccccc1)c1ccc(C(F)(F)F)cn1 ZINC000038033125 174030181 /nfs/dbraw/zinc/03/01/81/174030181.db2.gz NAPIEVPXZVOQOJ-UHFFFAOYSA-N 1 0 295.308 3.066 10 0 CGAERO CC[NH2+][C@H](C)c1cc(F)ccc1-n1cc(Cl)cn1 ZINC000038053645 174065183 /nfs/dbraw/zinc/06/51/83/174065183.db2.gz XYKWNLZEHQCADU-SECBINFHSA-N 1 0 267.735 3.335 10 0 CGAERO CC[NH2+][C@H](c1ccoc1)c1ccc2c(c1)CCCO2 ZINC000038058090 174069071 /nfs/dbraw/zinc/06/90/71/174069071.db2.gz YPHOPDXGMPLSKK-INIZCTEOSA-N 1 0 257.333 3.304 10 0 CGAERO CC[NH2+]Cc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000038072929 174083273 /nfs/dbraw/zinc/08/32/73/174083273.db2.gz DIHIGRPBBMFZCF-UHFFFAOYSA-N 1 0 253.345 3.398 10 0 CGAERO COCCc1ccc(-c2ccc(C[NH3+])c(F)c2)cc1 ZINC000038072658 174083426 /nfs/dbraw/zinc/08/34/26/174083426.db2.gz WRLFQBVBYJHSIX-UHFFFAOYSA-N 1 0 259.324 3.140 10 0 CGAERO c1ccc2c(c1)CSC[C@H]2[NH2+]CC[C@@H]1CCCO1 ZINC000038096442 174110517 /nfs/dbraw/zinc/11/05/17/174110517.db2.gz BBECEEAIIVCWJB-DZGCQCFKSA-N 1 0 263.406 3.133 10 0 CGAERO C[C@H](c1cccc(Cl)c1)N(C)C(=O)[C@H]1CCCC[NH2+]1 ZINC000038101354 174116910 /nfs/dbraw/zinc/11/69/10/174116910.db2.gz PWNRGCCXKLOGBB-BXUZGUMPSA-N 1 0 280.799 3.002 10 0 CGAERO CC[C@H](C)[C@H]([NH3+])C(=O)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000038101392 174117310 /nfs/dbraw/zinc/11/73/10/174117310.db2.gz MTYDZICRZRWXFO-MJVIPROJSA-N 1 0 282.815 3.233 10 0 CGAERO [NH3+][C@@H]1CN(Cc2ccccc2)c2ccc(Cl)cc21 ZINC000039941587 174175455 /nfs/dbraw/zinc/17/54/55/174175455.db2.gz APMIEMZYYXHPSY-CQSZACIVSA-N 1 0 258.752 3.360 10 0 CGAERO C[NH2+]C[C@H](c1ccc(C(F)(F)F)cc1)N1CCCC1 ZINC000039978701 174181270 /nfs/dbraw/zinc/18/12/70/174181270.db2.gz KAVSZQWQQFZXIU-CYBMUJFWSA-N 1 0 272.314 3.062 10 0 CGAERO CCOCCCn1c2cc(Cl)ccc2nc1CCC[NH3+] ZINC000040403500 174253761 /nfs/dbraw/zinc/25/37/61/174253761.db2.gz FKNUMQJDHBDBQH-UHFFFAOYSA-N 1 0 295.814 3.008 10 0 CGAERO CC[C@H](C)n1c(C[NH2+]C)nc2cc(Cl)ccc21 ZINC000040408159 174254027 /nfs/dbraw/zinc/25/40/27/174254027.db2.gz IDRXRMNNPHINAO-VIFPVBQESA-N 1 0 251.761 3.380 10 0 CGAERO COc1cccc(-c2nc(C[NH2+]C(C)C)cs2)c1OC ZINC000040419226 174256683 /nfs/dbraw/zinc/25/66/83/174256683.db2.gz SPBCSYIUMFTZPW-UHFFFAOYSA-N 1 0 292.404 3.325 10 0 CGAERO CC(C)(C)c1ccc(C[NH2+]C[C@H]2CCC[C@H]2O)s1 ZINC000127605559 287291854 /nfs/dbraw/zinc/29/18/54/287291854.db2.gz MBYOCCIJXOKXKQ-DGCLKSJQSA-N 1 0 267.438 3.296 10 0 CGAERO CC[C@H]([NH3+])[C@@H](Sc1nc[nH]n1)c1ccc(Cl)cc1 ZINC000042950077 174923271 /nfs/dbraw/zinc/92/32/71/174923271.db2.gz BFWCBHZXYFTUSL-QWRGUYRKSA-N 1 0 282.800 3.029 10 0 CGAERO CC[C@@H]([NH3+])[C@H](OC[C@@H]1CCOC1)c1ccc(Cl)cc1 ZINC000042949909 174923313 /nfs/dbraw/zinc/92/33/13/174923313.db2.gz JXMWVAINRRHMGQ-KCPJHIHWSA-N 1 0 283.799 3.172 10 0 CGAERO COc1ccc([C@H](OCCC(C)C)[C@H](C)[NH3+])cc1 ZINC000042962975 174927791 /nfs/dbraw/zinc/92/77/91/174927791.db2.gz GBSBZSUCAJZQIL-SWLSCSKDSA-N 1 0 251.370 3.146 10 0 CGAERO CCC(C)(C)O[C@H](c1cccc(OC)c1)[C@@H](C)[NH3+] ZINC000043030672 174948588 /nfs/dbraw/zinc/94/85/88/174948588.db2.gz WDESLGYPWZGPSQ-RISCZKNCSA-N 1 0 251.370 3.289 10 0 CGAERO C[C@H]([NH3+])[C@H](c1cccs1)n1cnc2ccccc21 ZINC000043107083 174972977 /nfs/dbraw/zinc/97/29/77/174972977.db2.gz QBYUNMKCWOFNFO-IINYFYTJSA-N 1 0 257.362 3.034 10 0 CGAERO C[C@@H]([NH3+])[C@H](Oc1ccc(F)c(F)c1)c1cccs1 ZINC000043111590 174974476 /nfs/dbraw/zinc/97/44/76/174974476.db2.gz QIYJTQHVJXYLJZ-OQPBUACISA-N 1 0 269.316 3.494 10 0 CGAERO CN(Cc1ccccc1)C[C@H]1[NH2+]CCc2ccccc21 ZINC000043595931 175076917 /nfs/dbraw/zinc/07/69/17/175076917.db2.gz BQXDWEXDYXIOOY-GOSISDBHSA-N 1 0 266.388 3.005 10 0 CGAERO CCc1ccc([C@@H]([NH2+]C)[C@@H](C)N2CCCCC2)cc1 ZINC000043814111 175111810 /nfs/dbraw/zinc/11/18/10/175111810.db2.gz JEVZZYJBICXFEV-PBHICJAKSA-N 1 0 260.425 3.384 10 0 CGAERO CC(C)Oc1ccc([C@@H](O)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000044113946 175141205 /nfs/dbraw/zinc/14/12/05/175141205.db2.gz DPEYQVALNXYUGT-RKVPGOIHSA-N 1 0 291.435 3.485 10 0 CGAERO CCOc1ccccc1[C@@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000044121963 175143437 /nfs/dbraw/zinc/14/34/37/175143437.db2.gz PRYGTHZYKAAVOD-LZWOXQAQSA-N 1 0 277.408 3.382 10 0 CGAERO Cc1nc(CN(C)c2ccc(F)cc2[C@H](C)[NH3+])cs1 ZINC000044609347 175216295 /nfs/dbraw/zinc/21/62/95/175216295.db2.gz JPGRIGPHFNNLNO-VIFPVBQESA-N 1 0 279.384 3.247 10 0 CGAERO COc1ccccc1-c1cnc(C[NH2+]C(C)C)s1 ZINC000045206071 175327984 /nfs/dbraw/zinc/32/79/84/175327984.db2.gz MSTLESMXMFNQQU-UHFFFAOYSA-N 1 0 262.378 3.317 10 0 CGAERO CC[C@H](CO)[NH2+]Cc1cn(C(C)C)c2ccccc12 ZINC000045945103 175387246 /nfs/dbraw/zinc/38/72/46/175387246.db2.gz UFMYNYRSUQHTDA-CQSZACIVSA-N 1 0 260.381 3.083 10 0 CGAERO COc1ccccc1N[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000057573591 175599584 /nfs/dbraw/zinc/59/95/84/175599584.db2.gz HANAVLBJLADLQP-AWEZNQCLSA-N 1 0 276.767 3.461 10 0 CGAERO CCOc1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000128421814 287310440 /nfs/dbraw/zinc/31/04/40/287310440.db2.gz PSIGPWZBBAEYQI-SJLPKXTDSA-N 1 0 289.419 3.212 10 0 CGAERO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1ccc(Cl)cc1)CC2 ZINC000128359414 287309270 /nfs/dbraw/zinc/30/92/70/287309270.db2.gz PMNMOGYHKDUDNI-GDBMZVCRSA-N 1 0 279.811 3.467 10 0 CGAERO CC(C)CC[C@@H](C)[NH2+]C[C@H](O)CO[C@@H](C)CC(C)C ZINC000070185101 175880547 /nfs/dbraw/zinc/88/05/47/175880547.db2.gz HZXRAVHYQJGPSU-PMPSAXMXSA-N 1 0 273.461 3.213 10 0 CGAERO CCCCCC[NH2+]C[C@@H](O)COc1cccc(Cl)c1 ZINC000070192305 175881759 /nfs/dbraw/zinc/88/17/59/175881759.db2.gz UZCDGMQVWFJQJF-CQSZACIVSA-N 1 0 285.815 3.250 10 0 CGAERO C[C@@H]1CCC[C@@H]1NC1=[NH+][C@H](Cc2ccccc2)CS1 ZINC000071208745 176081274 /nfs/dbraw/zinc/08/12/74/176081274.db2.gz SQSFAHCOIRDXRC-YUELXQCFSA-N 1 0 274.433 3.479 10 0 CGAERO C[C@H](Cc1cccs1)[N@@H+]1Cc2cccc(N)c2C1 ZINC000071271663 176104426 /nfs/dbraw/zinc/10/44/26/176104426.db2.gz GWXAKBWJRHIRAB-LLVKDONJSA-N 1 0 258.390 3.277 10 0 CGAERO CCCN(C(=O)CC[C@@H]([NH3+])c1ccccc1)C(C)C ZINC000071400324 176152599 /nfs/dbraw/zinc/15/25/99/176152599.db2.gz DZVHCPJBSLVHKP-OAHLLOKOSA-N 1 0 262.397 3.114 10 0 CGAERO CC(C)[C@H](CCCC[NH3+])c1ccc2c(c1)CC(=O)N2 ZINC000071586860 176213670 /nfs/dbraw/zinc/21/36/70/176213670.db2.gz FHODYFMFUYSOOK-AWEZNQCLSA-N 1 0 260.381 3.050 10 0 CGAERO CC[NH2+][C@H](C)[C@H](O)c1cc(C(C)(C)C)ccc1OC ZINC000071597960 176221654 /nfs/dbraw/zinc/22/16/54/176221654.db2.gz YYCAXTZVWSSKLY-ABAIWWIYSA-N 1 0 265.397 3.024 10 0 CGAERO CC[NH2+][C@H](C)C(=O)c1cc(Cl)c(OCC)cc1C ZINC000071600976 176227527 /nfs/dbraw/zinc/22/75/27/176227527.db2.gz LQPOPKWBFHXAJZ-SNVBAGLBSA-N 1 0 269.772 3.228 10 0 CGAERO COc1ccc2c(c1)C1(CC1)C[NH2+][C@H]2c1ccccc1OC ZINC000071650854 176241234 /nfs/dbraw/zinc/24/12/34/176241234.db2.gz HYQUBZALUOTZOL-GOSISDBHSA-N 1 0 295.382 3.428 10 0 CGAERO COc1cc2c(cc1OC)C(C)(C)C[NH2+][C@H]2c1ccncc1 ZINC000071652629 176241739 /nfs/dbraw/zinc/24/17/39/176241739.db2.gz NQYQLXPDNBSSRB-KRWDZBQOSA-N 1 0 298.386 3.069 10 0 CGAERO C[NH2+]CCCCC(=O)N(C)c1ccc(Cl)cc1C ZINC000076401313 177017289 /nfs/dbraw/zinc/01/72/89/177017289.db2.gz BTFZNLCCSICBBZ-UHFFFAOYSA-N 1 0 268.788 3.001 10 0 CGAERO COc1cc(F)c(CCC[NH2+]C2CCCC2)cc1F ZINC000076402915 177017743 /nfs/dbraw/zinc/01/77/43/177017743.db2.gz QHPAKEAHGYFRJP-UHFFFAOYSA-N 1 0 269.335 3.438 10 0 CGAERO [NH3+]CC[C@H](CCc1ccc(F)cc1)c1ccncc1 ZINC000076666322 177050979 /nfs/dbraw/zinc/05/09/79/177050979.db2.gz HPQBIJAVRHBDJO-AWEZNQCLSA-N 1 0 258.340 3.286 10 0 CGAERO CCCCN(C(=O)C[NH3+])c1ccccc1C(C)(C)C ZINC000076676320 177056222 /nfs/dbraw/zinc/05/62/22/177056222.db2.gz CKWBCHNPJBPDBA-UHFFFAOYSA-N 1 0 262.397 3.076 10 0 CGAERO CC[C@H](C[NH3+])CCC(=O)Nc1cccc(Cl)c1C ZINC000076706057 177065694 /nfs/dbraw/zinc/06/56/94/177065694.db2.gz RMVPPZZZJPUFNK-NSHDSACASA-N 1 0 268.788 3.352 10 0 CGAERO CCO[C@H](C)c1noc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)n1 ZINC000076717076 177069124 /nfs/dbraw/zinc/06/91/24/177069124.db2.gz RVARJPVJDUKGBB-MCIONIFRSA-N 1 0 293.411 3.322 10 0 CGAERO C[C@@H](CCC[NH3+])C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000076719143 177069414 /nfs/dbraw/zinc/06/94/14/177069414.db2.gz LDGHASXQVWCFKC-VIFPVBQESA-N 1 0 274.286 3.019 10 0 CGAERO CC[C@@H](CC[NH3+])C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000076719103 177069525 /nfs/dbraw/zinc/06/95/25/177069525.db2.gz VWNKMZCEKQCLCQ-VIFPVBQESA-N 1 0 274.286 3.019 10 0 CGAERO CC[NH2+][C@@H](C)Cc1csc(-c2cccs2)n1 ZINC000076783841 177091391 /nfs/dbraw/zinc/09/13/91/177091391.db2.gz GKJIWQPPVOEMOD-VIFPVBQESA-N 1 0 252.408 3.412 10 0 CGAERO CC[NH2+][C@@H](C)c1csc(-c2cccc(OC)c2OC)n1 ZINC000076784585 177091841 /nfs/dbraw/zinc/09/18/41/177091841.db2.gz WSINOXISDVICPA-JTQLQIEISA-N 1 0 292.404 3.498 10 0 CGAERO CC[C@H](NC(=O)[C@H]([NH3+])Cc1ccccc1)C1CCCCC1 ZINC000052342711 416478085 /nfs/dbraw/zinc/47/80/85/416478085.db2.gz QZKOHUHSZGULHX-SJORKVTESA-N 1 0 288.435 3.032 10 0 CGAERO C[C@@H](NC(=O)CCC(C)(C)[NH3+])c1ccc(Cl)cc1 ZINC000070088156 416489438 /nfs/dbraw/zinc/48/94/38/416489438.db2.gz LFSIPVRKWFLUKX-SNVBAGLBSA-N 1 0 268.788 3.035 10 0 CGAERO C[C@@H](NC(=O)CCC(C)(C)[NH3+])c1ccccc1Cl ZINC000070088166 416490624 /nfs/dbraw/zinc/49/06/24/416490624.db2.gz YLTVWGPOTUQLCJ-SNVBAGLBSA-N 1 0 268.788 3.035 10 0 CGAERO CC(C)C[C@H]1CCCC[N@@H+]1C[C@H](O)COC(C)(C)C ZINC000130754167 287362079 /nfs/dbraw/zinc/36/20/79/287362079.db2.gz BKKSFFOMDFHUGJ-CABCVRRESA-N 1 0 271.445 3.063 10 0 CGAERO Cc1cc(C(C)(C)C)cc2c1OCCC[C@@H]2[NH2+]CCCO ZINC000130952792 287367317 /nfs/dbraw/zinc/36/73/17/287367317.db2.gz OZVBRRAZPBNBBX-INIZCTEOSA-N 1 0 291.435 3.478 10 0 CGAERO CCCC[N@H+](CC)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000131812251 287390140 /nfs/dbraw/zinc/39/01/40/287390140.db2.gz FHXNVXBWSMDOSW-GJZGRUSLSA-N 1 0 276.424 3.374 10 0 CGAERO CC(C)(C)OC(=O)N1CC[NH+](C2(C)CCCCC2)CC1 ZINC000685960946 544111191 /nfs/dbraw/zinc/11/11/91/544111191.db2.gz IELBMQCIJCOHFX-UHFFFAOYSA-N 1 0 282.428 3.262 10 0 CGAERO CC(C)(C)OC(=O)[C@@]1(C[NH3+])CCC[C@@H](C(F)(F)F)C1 ZINC000725245238 544111934 /nfs/dbraw/zinc/11/19/34/544111934.db2.gz SAIUNPVLIDCJIC-SKDRFNHKSA-N 1 0 281.318 3.026 10 0 CGAERO C[C@H](NC(=O)C1([NH3+])CC2(CCC2)C1)c1ccccc1Cl ZINC000659278305 418971338 /nfs/dbraw/zinc/97/13/38/418971338.db2.gz LAQSPOWJBITANH-NSHDSACASA-N 1 0 292.810 3.179 10 0 CGAERO C[C@@H](NC(=O)C1([NH3+])CC2(CCC2)C1)c1ccc(Cl)s1 ZINC000659283572 418971712 /nfs/dbraw/zinc/97/17/12/418971712.db2.gz QXJZDGUMSSKGAU-SECBINFHSA-N 1 0 298.839 3.240 10 0 CGAERO C[C@H]([NH2+]C1CC(CO)C1)c1ccc(OC(F)(F)F)cc1 ZINC000658351883 418946559 /nfs/dbraw/zinc/94/65/59/418946559.db2.gz QLEWCVLVLQLYHZ-BMQDGWLCSA-N 1 0 289.297 3.007 10 0 CGAERO CC1(C)CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC(C)(C)C1 ZINC000659359336 418980949 /nfs/dbraw/zinc/98/09/49/418980949.db2.gz ZYDXGHCGGHTICP-KBPBESRZSA-N 1 0 280.456 3.179 10 0 CGAERO C[N@H+](C[C@H]1CCC[C@@H](O)C1)C1CCC(F)(F)CC1 ZINC000660557627 419162727 /nfs/dbraw/zinc/16/27/27/419162727.db2.gz MXJNTVMOOFJZOP-WCQYABFASA-N 1 0 261.356 3.047 10 0 CGAERO FC(F)(F)[C@H]1CCC[C@@H]([NH2+]Cc2cnc3n2CCC3)C1 ZINC000657303099 419246266 /nfs/dbraw/zinc/24/62/66/419246266.db2.gz ZYNCIYKGRKSFFX-WDEREUQCSA-N 1 0 287.329 3.040 10 0 CGAERO Cc1ncc(C[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)n1C ZINC000657326143 419250719 /nfs/dbraw/zinc/25/07/19/419250719.db2.gz AQAKCIBVYVIQBC-VIFPVBQESA-N 1 0 281.762 3.372 10 0 CGAERO O[C@H]1CCC[C@H](C[NH+]2CCC(C3CCC3)CC2)C1 ZINC000661373722 419254311 /nfs/dbraw/zinc/25/43/11/419254311.db2.gz FMZBQKCULPURFB-BBRMVZONSA-N 1 0 251.414 3.050 10 0 CGAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1nn(CC)c2ccccc12 ZINC000225361886 287632940 /nfs/dbraw/zinc/63/29/40/287632940.db2.gz WYVRIGIFOSBZRB-OCCSQVGLSA-N 1 0 257.381 3.334 10 0 CGAERO O[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000224021775 287631632 /nfs/dbraw/zinc/63/16/32/287631632.db2.gz WEQKLXREHCYHPF-DAXOMENPSA-N 1 0 279.811 3.468 10 0 CGAERO CC(C)(C)[NH+]1CCC(N[C@H]2CCOc3ccccc32)CC1 ZINC000037786247 260118063 /nfs/dbraw/zinc/11/80/63/260118063.db2.gz ZREHWIZAWJSNLU-INIZCTEOSA-N 1 0 288.435 3.363 10 0 CGAERO Cc1cccc(NC(=O)C[NH2+][C@@H](C)c2cccs2)c1 ZINC000035133045 270027679 /nfs/dbraw/zinc/02/76/79/270027679.db2.gz CXKHWAYWOQCSFY-LBPRGKRZSA-N 1 0 274.389 3.346 10 0 CGAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccccc1F ZINC000037167093 270028670 /nfs/dbraw/zinc/02/86/70/270028670.db2.gz HGFOPODHEKUGDY-KBPBESRZSA-N 1 0 266.404 3.453 10 0 CGAERO Cc1cccc(OCC[NH2+][C@H]2CCc3c2cccc3O)c1 ZINC000042895806 270033461 /nfs/dbraw/zinc/03/34/61/270033461.db2.gz KVGBKGQWKDXBLV-KRWDZBQOSA-N 1 0 283.371 3.357 10 0 CGAERO [NH3+][C@H]1CCC[C@H]1C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000085362085 270043468 /nfs/dbraw/zinc/04/34/68/270043468.db2.gz NPARFLHEJHVFRV-CVEARBPZSA-N 1 0 288.391 3.074 10 0 CGAERO CCCOc1ccc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])cc1Cl ZINC000085366090 270043537 /nfs/dbraw/zinc/04/35/37/270043537.db2.gz VAXDYQMPYKETRP-AAEUAGOBSA-N 1 0 296.798 3.195 10 0 CGAERO C[N@H+](CCC1CCCCC1)C[C@@H](O)COC(C)(C)C ZINC000101733928 270044587 /nfs/dbraw/zinc/04/45/87/270044587.db2.gz RVOADKHTPIFFDZ-OAHLLOKOSA-N 1 0 271.445 3.065 10 0 CGAERO CC(C)Cc1ccc([C@@H](C)[NH2+]CC(=O)NC(C)(C)C)cc1 ZINC000105861912 270047945 /nfs/dbraw/zinc/04/79/45/270047945.db2.gz ANJMSJRDFXKOAL-CQSZACIVSA-N 1 0 290.451 3.450 10 0 CGAERO CC[N@@H+]1CCC[C@H](N[C@@H](C)c2csc(C(C)C)n2)C1 ZINC000186267276 270065449 /nfs/dbraw/zinc/06/54/49/270065449.db2.gz QSBRURCYAIOREK-STQMWFEESA-N 1 0 281.469 3.401 10 0 CGAERO CC[C@H](c1ccc(Br)cc1)N1CC[NH2+][C@@H](C)C1 ZINC000227534211 270086932 /nfs/dbraw/zinc/08/69/32/270086932.db2.gz XLCKHXRYIMYHIQ-SMDDNHRTSA-N 1 0 297.240 3.194 10 0 CGAERO COc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2C[C@H]2C)cc1OC ZINC000321971006 270093310 /nfs/dbraw/zinc/09/33/10/270093310.db2.gz ZYJHTJHONFEKHA-CZXHOFHRSA-N 1 0 263.381 3.399 10 0 CGAERO C[C@H]([NH3+])c1ccc(-c2ccc3c(c2)CCOC3)cc1 ZINC000530249163 270197518 /nfs/dbraw/zinc/19/75/18/270197518.db2.gz ZJPMLWZRFYLGPC-LBPRGKRZSA-N 1 0 253.345 3.446 10 0 CGAERO Cc1ccccc1-n1ncc2c1-n1cccc1[C@@H](C)[NH2+]C2 ZINC000049454586 274805675 /nfs/dbraw/zinc/80/56/75/274805675.db2.gz BZKDUBQDJZIHHO-CYBMUJFWSA-N 1 0 278.359 3.136 10 0 CGAERO CCO[C@@H]1C[C@H]([NH2+]C2[C@@H](C)CCC[C@@H]2C)C12CCOCC2 ZINC000249013061 287796572 /nfs/dbraw/zinc/79/65/72/287796572.db2.gz PBKAKMKQBIGHEM-YHUYYLMFSA-N 1 0 295.467 3.375 10 0 CGAERO O=C1Nc2ccccc2NC12CC[NH+](C1CCCCC1)CC2 ZINC000082166952 275026225 /nfs/dbraw/zinc/02/62/25/275026225.db2.gz GJVMTTOSGBWMII-UHFFFAOYSA-N 1 0 299.418 3.218 10 0 CGAERO CC(C)c1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@H]2C)cc1 ZINC000282049010 276057757 /nfs/dbraw/zinc/05/77/57/276057757.db2.gz AZCOPVVGSYYPNE-XEZPLFJOSA-N 1 0 274.408 3.128 10 0 CGAERO CC[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)c1ccc2c(c1)CCO2 ZINC000251668850 276590983 /nfs/dbraw/zinc/59/09/83/276590983.db2.gz IKGJBCQTSHDPOH-CUSZFKRNSA-N 1 0 287.403 3.230 10 0 CGAERO CC(C)c1ccc([C@H](C)[NH2+][C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000069136251 278048984 /nfs/dbraw/zinc/04/89/84/278048984.db2.gz QKMTZRWITPGVNL-XJKSGUPXSA-N 1 0 295.448 3.038 10 0 CGAERO C[C@H](N[C@@H]1CCC[NH2+][C@H]1C)c1cccc(Cl)c1 ZINC000396673358 288015350 /nfs/dbraw/zinc/01/53/50/288015350.db2.gz RPGWOPBTTIAGLC-COPLHBTASA-N 1 0 252.789 3.131 10 0 CGAERO CC1(C)CCC(CC(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000335053192 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O=C(C1CCCCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000101960713 279739944 /nfs/dbraw/zinc/73/99/44/279739944.db2.gz FNPFUBDSENYENM-UHFFFAOYSA-N 1 0 278.440 3.044 10 0 CGAERO CC(C)[C@@H](C)[NH2+]C[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000246378642 279823483 /nfs/dbraw/zinc/82/34/83/279823483.db2.gz JVYRIKBYGJJELL-KFWWJZLASA-N 1 0 296.480 3.144 10 0 CGAERO CCC(F)(F)C(C)(C)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000527664818 288185141 /nfs/dbraw/zinc/18/51/41/288185141.db2.gz LKBFSMDAVRWLRB-UTUOFQBUSA-N 1 0 275.383 3.461 10 0 CGAERO Cc1cn[nH]c1C[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000289578628 280284258 /nfs/dbraw/zinc/28/42/58/280284258.db2.gz SHPOHXOEVVXCSB-NHYWBVRUSA-N 1 0 255.365 3.446 10 0 CGAERO c1coc(C[NH2+]C[C@@H]2[C@@H]3CCc4ccccc4[C@H]23)c1 ZINC000128371733 280504213 /nfs/dbraw/zinc/50/42/13/280504213.db2.gz LFMOEZYCSAKPJG-BBWFWOEESA-N 1 0 253.345 3.345 10 0 CGAERO Cc1cccc(C)c1NC(=O)c1ccc(C[NH3+])cc1 ZINC000022176675 281210781 /nfs/dbraw/zinc/21/07/81/281210781.db2.gz XBJJRNVHFMFWQI-UHFFFAOYSA-N 1 0 254.333 3.014 10 0 CGAERO Cc1cccc([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@@H]2O)c1 ZINC000178364035 281254882 /nfs/dbraw/zinc/25/48/82/281254882.db2.gz KLBIVEYIGQWNLK-KKXDTOCCSA-N 1 0 267.372 3.304 10 0 CGAERO Cc1cccc2nc([C@@H](C)[NH3+])n(-c3ccccc3)c21 ZINC000091692132 281320801 /nfs/dbraw/zinc/32/08/01/281320801.db2.gz AUESLSUHCZOWNX-GFCCVEGCSA-N 1 0 251.333 3.354 10 0 CGAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000124653093 281382659 /nfs/dbraw/zinc/38/26/59/281382659.db2.gz JGMSYIJONASEMS-DZKIICNBSA-N 1 0 288.435 3.150 10 0 CGAERO Cc1ccccc1[C@@H]1C[C@@H]([NH3+])CN(C(=O)OC(C)(C)C)C1 ZINC000216019073 292665159 /nfs/dbraw/zinc/66/51/59/292665159.db2.gz RITNBWOWLSVTSO-ZIAGYGMSSA-N 1 0 290.407 3.047 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1cccc(F)c1 ZINC000223864471 290004819 /nfs/dbraw/zinc/00/48/19/290004819.db2.gz QPKATNACHHZXSI-NJZAAPMLSA-N 1 0 251.345 3.027 10 0 CGAERO Cc1ccccc1[C@@H]1C[C@H]([NH3+])CN(C(=O)OC(C)(C)C)C1 ZINC000216019041 302168366 /nfs/dbraw/zinc/16/83/66/302168366.db2.gz RITNBWOWLSVTSO-KGLIPLIRSA-N 1 0 290.407 3.047 10 0 CGAERO CCCC(CCC)C(=O)NC[C@H](C)[NH+](CC)CC ZINC000163757192 321897704 /nfs/dbraw/zinc/89/77/04/321897704.db2.gz GKCDJMMFGSNITI-ZDUSSCGKSA-N 1 0 256.434 3.049 10 0 CGAERO C[C@@H]1CC[C@@H](CC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)C1 ZINC000164646676 321903064 /nfs/dbraw/zinc/90/30/64/321903064.db2.gz WETXTERZBRWOCF-INMHGKMJSA-N 1 0 288.435 3.232 10 0 CGAERO C[C@H]([NH2+]C1CC(C)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000166153656 321906554 /nfs/dbraw/zinc/90/65/54/321906554.db2.gz CHAMFEKHESEQHI-RAFNIBEQSA-N 1 0 296.455 3.410 10 0 CGAERO CCOc1cc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)ccc1C ZINC000568856536 322225057 /nfs/dbraw/zinc/22/50/57/322225057.db2.gz SXAKFNGTVHAYTJ-UONOGXRCSA-N 1 0 262.397 3.194 10 0 CGAERO CC(C)(C)OC(=O)N1c2ccccc2[C@H]([NH3+])C1(C)C ZINC000536950117 330382171 /nfs/dbraw/zinc/38/21/71/330382171.db2.gz LRWFUEPFVBCDSV-LBPRGKRZSA-N 1 0 262.353 3.220 10 0 CGAERO CC[C@@H]1C[NH2+]C[C@H]1c1ccccc1Br ZINC000536952556 330382611 /nfs/dbraw/zinc/38/26/11/330382611.db2.gz DXLUSFKAIDCGDP-MWLCHTKSSA-N 1 0 254.171 3.162 10 0 CGAERO CCCC[C@@H]([NH2+]Cc1nnc(C)n1CC)C1CCC1 ZINC000184880819 335938651 /nfs/dbraw/zinc/93/86/51/335938651.db2.gz YMIUSOSFKOIRFL-CQSZACIVSA-N 1 0 264.417 3.055 10 0 CGAERO CCO[C@@H]1C[C@H]([NH2+]CC(C(C)C)C(C)C)C12CCOCC2 ZINC000193340159 335967795 /nfs/dbraw/zinc/96/77/95/335967795.db2.gz JJFSTEMQXPLXFD-DLBZAZTESA-N 1 0 297.483 3.478 10 0 CGAERO CC(C)c1nnc(CN(Cc2ccccc2)C2CC2)n1C ZINC000195053647 336043839 /nfs/dbraw/zinc/04/38/39/336043839.db2.gz JCGZXNMBNLZZDF-UHFFFAOYSA-N 1 0 284.407 3.103 10 0 CGAERO C[C@@H]([NH2+]CC(C)(C)C(F)(F)F)c1cscn1 ZINC000381446186 336063905 /nfs/dbraw/zinc/06/39/05/336063905.db2.gz FWDXIOBLLZJUMU-SSDOTTSWSA-N 1 0 252.305 3.382 10 0 CGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1csc(C)c1 ZINC000381761509 336072508 /nfs/dbraw/zinc/07/25/08/336072508.db2.gz ORKHIRKFUQVAAZ-GJZGRUSLSA-N 1 0 264.438 3.115 10 0 CGAERO CC[NH2+]Cc1cc(F)ccc1N1C[C@H](C)C[C@H](C)C1 ZINC000037236320 535478655 /nfs/dbraw/zinc/47/86/55/535478655.db2.gz HKFDRSGQGBWTQC-BETUJISGSA-N 1 0 264.388 3.418 10 0 CGAERO CCC[NH2+]C[C@@H](OCCOC)c1cccc(Cl)c1 ZINC000050495880 519921662 /nfs/dbraw/zinc/92/16/62/519921662.db2.gz BBBYTNPUYMIVIY-CQSZACIVSA-N 1 0 271.788 3.044 10 0 CGAERO CCC[NH2+]Cc1cnc(N(C)C[C@@H](C)CC)s1 ZINC000054903106 519961601 /nfs/dbraw/zinc/96/16/01/519961601.db2.gz MEAPXRKTEFIRHT-NSHDSACASA-N 1 0 255.431 3.125 10 0 CGAERO CC[NH2+]Cc1nc(N2CCCC[C@@H]2C)ccc1Cl ZINC000051399366 520019746 /nfs/dbraw/zinc/01/97/46/520019746.db2.gz QOUYPJSKLDUKAX-NSHDSACASA-N 1 0 267.804 3.223 10 0 CGAERO CC[NH2+][C@H]1CCCC[C@@H]1CCOCC(F)(F)F ZINC000049311573 520213177 /nfs/dbraw/zinc/21/31/77/520213177.db2.gz VISZRHXHKKEFPM-MNOVXSKESA-N 1 0 253.308 3.124 10 0 CGAERO CC[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1ccc(F)cc1 ZINC000248136914 500737744 /nfs/dbraw/zinc/73/77/44/500737744.db2.gz PEYWPFUNUBSFAU-BPUTZDHNSA-N 1 0 265.372 3.418 10 0 CGAERO CCC[C@H](C)[N@H+](C)[C@@H](CN)c1ccc(OC)c(C)c1 ZINC000050596673 521036905 /nfs/dbraw/zinc/03/69/05/521036905.db2.gz FTTLOVZUVMTZMW-ZFWWWQNUSA-N 1 0 264.413 3.124 10 0 CGAERO C[NH2+][C@@H]1CCN(c2cc(Cl)ccc2F)[C@H](C)C1 ZINC000049712715 522394341 /nfs/dbraw/zinc/39/43/41/522394341.db2.gz CHPNQWALZBCPDT-MWLCHTKSSA-N 1 0 256.752 3.056 10 0 CGAERO C[NH2+][C@H](CCCCOCC(F)(F)F)C(C)(C)C ZINC000049312794 522458036 /nfs/dbraw/zinc/45/80/36/522458036.db2.gz QLGDTHHCAYKNAI-SNVBAGLBSA-N 1 0 255.324 3.370 10 0 CGAERO CC[C@@H](C[NH2+]C(C)(C)C)Oc1cccc(N(C)C)c1 ZINC000052703331 522543614 /nfs/dbraw/zinc/54/36/14/522543614.db2.gz LIPJRKOHYTYDHO-AWEZNQCLSA-N 1 0 264.413 3.298 10 0 CGAERO CC(C)(C)[NH2+]Cc1nccn1CCc1ccccc1 ZINC000051015598 518768600 /nfs/dbraw/zinc/76/86/00/518768600.db2.gz LYXRXSTUNHGMOF-UHFFFAOYSA-N 1 0 257.381 3.014 10 0 CGAERO CC(C)(C)Oc1ccc(NC(=O)C2([NH3+])CCCC2)cc1 ZINC000236581526 518892348 /nfs/dbraw/zinc/89/23/48/518892348.db2.gz AJISGWDVLWDIEO-UHFFFAOYSA-N 1 0 276.380 3.074 10 0 CGAERO CC(C)CCOc1ccc(C[NH2+]CC(C)C)cn1 ZINC000051526235 519674356 /nfs/dbraw/zinc/67/43/56/519674356.db2.gz ZQQBLCVODLGQQZ-UHFFFAOYSA-N 1 0 250.386 3.252 10 0 CGAERO CC(C)[NH2+]C[C@@]1(CCCc2ccccc2)CCOC1 ZINC000054665074 519724386 /nfs/dbraw/zinc/72/43/86/519724386.db2.gz GYFLSKUZJUNYIN-QGZVFWFLSA-N 1 0 261.409 3.414 10 0 CGAERO CC(C)[NH2+]C[C@H]1CC[C@@H](COC2CCCCCC2)O1 ZINC000052671474 519725720 /nfs/dbraw/zinc/72/57/20/519725720.db2.gz SMAQBJSTDXISNT-CVEARBPZSA-N 1 0 269.429 3.271 10 0 CGAERO CC(C)[C@@H]1CN(Cc2ccccc2Cl)[C@@H](C)C[NH2+]1 ZINC000068694936 519804608 /nfs/dbraw/zinc/80/46/08/519804608.db2.gz QOPINOOKJPYLPP-WFASDCNBSA-N 1 0 266.816 3.158 10 0 CGAERO CC(C)[C@H]1CCC(=O)[C@H](C[N@H+](C)Cc2ccco2)C1 ZINC000054559000 519824470 /nfs/dbraw/zinc/82/44/70/519824470.db2.gz XJEITSNHDSCECV-KBPBESRZSA-N 1 0 263.381 3.353 10 0 CGAERO CC[NH2+]C1CCN([C@@H](C)c2ccc(C)s2)CC1 ZINC000049183933 519909092 /nfs/dbraw/zinc/90/90/92/519909092.db2.gz SHGIPEQIXUDFLS-LBPRGKRZSA-N 1 0 252.427 3.191 10 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CC[NH2+]Cc1occc1CN1CCc2sccc2C1 ZINC000052382984 520030840 /nfs/dbraw/zinc/03/08/40/520030840.db2.gz HPDZIBXPYLZXIB-UHFFFAOYSA-N 1 0 276.405 3.009 10 0 CGAERO CCC[NH2+][C@H](COC)c1cc(Cl)ccc1OC ZINC000055226323 520083249 /nfs/dbraw/zinc/08/32/49/520083249.db2.gz LDKVNUWQPPWTOS-GFCCVEGCSA-N 1 0 257.761 3.036 10 0 CGAERO CCCCCC[C@H](C)[NH2+][C@H](C)C(=O)NCCCC ZINC000049202744 520130809 /nfs/dbraw/zinc/13/08/09/520130809.db2.gz DBNKRPGWPRFHQK-UONOGXRCSA-N 1 0 256.434 3.240 10 0 CGAERO CCCCC[NH2+]C[C@@H](C)n1ccc(C(F)(F)F)n1 ZINC000053533666 520225155 /nfs/dbraw/zinc/22/51/55/520225155.db2.gz SGJTXRZQIJXZQK-SNVBAGLBSA-N 1 0 263.307 3.243 10 0 CGAERO CCCCC[C@H](C)[NH2+]CCSc1nccn1C ZINC000053612913 520309078 /nfs/dbraw/zinc/30/90/78/520309078.db2.gz CFOTUGCSQLLLIQ-LBPRGKRZSA-N 1 0 255.431 3.071 10 0 CGAERO CCCOc1cc(OC)ccc1C[NH2+]CC(C)C ZINC000062733182 520315689 /nfs/dbraw/zinc/31/56/89/520315689.db2.gz HWOMJSYOFRJGEI-UHFFFAOYSA-N 1 0 251.370 3.230 10 0 CGAERO CCN(CC(C)C)c1ccc(C[NH2+]CC(C)C)cn1 ZINC000051440852 520414218 /nfs/dbraw/zinc/41/42/18/520414218.db2.gz IOPSGLRRAMYACH-UHFFFAOYSA-N 1 0 263.429 3.310 10 0 CGAERO CCCOc1cccc([C@@H]([NH3+])Cc2ccccn2)c1 ZINC000061667962 520464578 /nfs/dbraw/zinc/46/45/78/520464578.db2.gz XNRHBEBIJMZCHH-INIZCTEOSA-N 1 0 256.349 3.113 10 0 CGAERO CCCCO[C@@H](C[NH2+]C1CC1)c1ccccc1OC ZINC000050483338 520823234 /nfs/dbraw/zinc/82/32/34/520823234.db2.gz GJEDTHFCGNKCLA-INIZCTEOSA-N 1 0 263.381 3.305 10 0 CGAERO CCOc1ccc(C[C@@H]2CCCC[NH2+]2)cc1OCC ZINC000055230019 521012896 /nfs/dbraw/zinc/01/28/96/521012896.db2.gz RSKRBWWJTNOFNL-AWEZNQCLSA-N 1 0 263.381 3.169 10 0 CGAERO CCC[C@H](C)[NH2+]C[C@H](C)N(C)Cc1ccsc1 ZINC000053490857 521060013 /nfs/dbraw/zinc/06/00/13/521060013.db2.gz LBLKSTPDWLOMLG-STQMWFEESA-N 1 0 254.443 3.347 10 0 CGAERO CCCC[C@H](C[NH3+])Nc1cc(C)c(Br)cn1 ZINC000163963700 521189915 /nfs/dbraw/zinc/18/99/15/521189915.db2.gz UQUPVJXTEVSFRC-SNVBAGLBSA-N 1 0 286.217 3.082 10 0 CGAERO CCOc1ccccc1N1CC[C@@H](C[NH2+]CC(C)C)C1 ZINC000053011801 521518948 /nfs/dbraw/zinc/51/89/48/521518948.db2.gz IKWKHBCLIXHDMD-HNNXBMFYSA-N 1 0 276.424 3.157 10 0 CGAERO CCCc1nc(N(CC)C(C)C)sc1C[NH2+]CC ZINC000054996462 521530553 /nfs/dbraw/zinc/53/05/53/521530553.db2.gz LINMVUONQIRBFB-UHFFFAOYSA-N 1 0 269.458 3.440 10 0 CGAERO C[NH2+]C[C@@H](C(C)C)N(C)Cc1ccc(Cl)s1 ZINC000052508816 522023359 /nfs/dbraw/zinc/02/33/59/522023359.db2.gz SJHVJOJRSYUXFT-NSHDSACASA-N 1 0 260.834 3.077 10 0 CGAERO C[NH2+]C[C@@H]1CC[C@@H](COc2c(C)cc(Cl)cc2C)O1 ZINC000052651475 522057869 /nfs/dbraw/zinc/05/78/69/522057869.db2.gz KIOQWBROTNXOPJ-KBPBESRZSA-N 1 0 283.799 3.103 10 0 CGAERO CC[C@@H](C)N(CCOC)c1cc(Cl)ccc1C[NH3+] ZINC000062786976 522094970 /nfs/dbraw/zinc/09/49/70/522094970.db2.gz ZZHAQINJMNTSAZ-LLVKDONJSA-N 1 0 270.804 3.050 10 0 CGAERO C[NH2+]Cc1cnc(N(C)C2CCCCCC2)s1 ZINC000054904737 522147080 /nfs/dbraw/zinc/14/70/80/522147080.db2.gz RWLVJRUKVRTWFR-UHFFFAOYSA-N 1 0 253.415 3.022 10 0 CGAERO CC[C@H](C[NH2+]CC(C)C)N(CC(F)(F)F)C(C)C ZINC000052485190 522195565 /nfs/dbraw/zinc/19/55/65/522195565.db2.gz XZEQKGXYDZAMRB-GFCCVEGCSA-N 1 0 268.367 3.283 10 0 CGAERO C[NH2+][C@@H](C)c1cnc(Cc2ccccc2Cl)nc1C ZINC000054962753 522336549 /nfs/dbraw/zinc/33/65/49/522336549.db2.gz IPQVNUNJIOQXHZ-JTQLQIEISA-N 1 0 275.783 3.310 10 0 CGAERO CC[C@H]([NH3+])[C@H](Sc1nnc(C)o1)c1sccc1C ZINC000051037960 522343889 /nfs/dbraw/zinc/34/38/89/522343889.db2.gz AFBOVHKBCRUPSB-ONGXEEELSA-N 1 0 283.422 3.319 10 0 CGAERO C[NH2+][C@@H](Cc1c(F)cccc1Cl)C[C@@H]1CCCO1 ZINC000049347202 522359479 /nfs/dbraw/zinc/35/94/79/522359479.db2.gz HCLKVKPDHQNUEK-MNOVXSKESA-N 1 0 271.763 3.179 10 0 CGAERO CCc1nc(N2CCC[C@@H](C)C2)sc1C[NH2+]C(C)C ZINC000054995599 522385631 /nfs/dbraw/zinc/38/56/31/522385631.db2.gz ICTVPNSVLMXRNG-GFCCVEGCSA-N 1 0 281.469 3.440 10 0 CGAERO C[NH2+][C@H]1CCC[C@@H]1Cc1cc(Br)ccc1OC ZINC000049597076 522499246 /nfs/dbraw/zinc/49/92/46/522499246.db2.gz FRFVKKANCMSQGQ-MFKMUULPSA-N 1 0 298.224 3.388 10 0 CGAERO CCc1oc2ccccc2c1[C@H]([NH3+])C1CCOCC1 ZINC000061876853 523008402 /nfs/dbraw/zinc/00/84/02/523008402.db2.gz RXFWTAUODPLNKE-MRXNPFEDSA-N 1 0 259.349 3.422 10 0 CGAERO COc1ccc(-c2csc(C3([NH3+])CCC3)n2)cc1F ZINC000061713497 523162641 /nfs/dbraw/zinc/16/26/41/523162641.db2.gz XBWGLQQJSHUSNE-UHFFFAOYSA-N 1 0 278.352 3.296 10 0 CGAERO CC[C@@H]1CCCC[C@H]1OCC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000053552617 523228086 /nfs/dbraw/zinc/22/80/86/523228086.db2.gz GTYZPODXKQMVTJ-XUWVNRHRSA-N 1 0 269.429 3.129 10 0 CGAERO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1Cc1ccccc1F ZINC000068695366 523486657 /nfs/dbraw/zinc/48/66/57/523486657.db2.gz QPLBSFRMXHXWRU-ZBFHGGJFSA-N 1 0 264.388 3.034 10 0 CGAERO COCC[NH2+]C[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000054598549 523941581 /nfs/dbraw/zinc/94/15/81/523941581.db2.gz HPZKPXFDQISGCM-YOEHRIQHSA-N 1 0 255.361 3.179 10 0 CGAERO Cc1ccc(C)c(C[C@@]2(C[NH2+]C(C)C)CCOC2)c1 ZINC000054665008 524110373 /nfs/dbraw/zinc/11/03/73/524110373.db2.gz ZBMVVJHVXYRIFQ-QGZVFWFLSA-N 1 0 261.409 3.251 10 0 CGAERO C[C@H]1CCC[C@H](SCc2cccnc2C(N)=[NH2+])C1 ZINC000061659047 524212120 /nfs/dbraw/zinc/21/21/20/524212120.db2.gz GXUGKEOGIXZOTG-JQWIXIFHSA-N 1 0 263.410 3.178 10 0 CGAERO C[C@@H](C1CC1)N(C)c1ncc(C[NH2+]C(C)(C)C)s1 ZINC000054903814 524319680 /nfs/dbraw/zinc/31/96/80/524319680.db2.gz KPBMWOOWEINBGJ-JTQLQIEISA-N 1 0 267.442 3.266 10 0 CGAERO Cc1ccc(CN(C)CC(C)(C)C[NH3+])c(Br)c1 ZINC000164124871 524392430 /nfs/dbraw/zinc/39/24/30/524392430.db2.gz AHKQCZUSJPCDSC-UHFFFAOYSA-N 1 0 299.256 3.174 10 0 CGAERO C[C@@H](CC[NH+](C)C)Nc1nnc(Cl)c2ccccc21 ZINC000050530046 524481325 /nfs/dbraw/zinc/48/13/25/524481325.db2.gz WCBXOJKNXMOKNM-JTQLQIEISA-N 1 0 278.787 3.035 10 0 CGAERO COc1ccccc1N(C)c1ccc([C@@H](C)[NH3+])cc1 ZINC000049966754 524527291 /nfs/dbraw/zinc/52/72/91/524527291.db2.gz XZQGEMMTIGJSST-GFCCVEGCSA-N 1 0 256.349 3.483 10 0 CGAERO Cc1ccc(C[C@@]2(C[NH2+]C(C)C)CCOC2)cc1C ZINC000054665082 524668035 /nfs/dbraw/zinc/66/80/35/524668035.db2.gz BXMCUYJYYZQQJI-QGZVFWFLSA-N 1 0 261.409 3.251 10 0 CGAERO COc1ccccc1Oc1cccc(Cl)c1C(N)=[NH2+] ZINC000052906698 524697176 /nfs/dbraw/zinc/69/71/76/524697176.db2.gz DNPUPFGTUWUVMR-UHFFFAOYSA-N 1 0 276.723 3.425 10 0 CGAERO Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+]C2CC2)C1 ZINC000053010037 524738209 /nfs/dbraw/zinc/73/82/09/524738209.db2.gz YDXYVIPOVUHXFF-GFCCVEGCSA-N 1 0 264.800 3.227 10 0 CGAERO C[C@@H]([NH3+])Cc1cnn(Cc2ccc(Cl)cc2Cl)c1 ZINC000054741324 525000335 /nfs/dbraw/zinc/00/03/35/525000335.db2.gz SLIIRAGAYRHSPN-SECBINFHSA-N 1 0 284.190 3.128 10 0 CGAERO C[C@@H]([NH3+])[C@@H](OC1CCC1)c1cc(Br)cs1 ZINC000050519276 525003485 /nfs/dbraw/zinc/00/34/85/525003485.db2.gz HVXAMXFJFALHKB-RDDDGLTNSA-N 1 0 290.226 3.468 10 0 CGAERO C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000156841775 525005238 /nfs/dbraw/zinc/00/52/38/525005238.db2.gz IQNCUBHXTORQTE-CHWSQXEVSA-N 1 0 284.359 3.401 10 0 CGAERO Cc1ccc(NC(=O)c2ccc3c(c2)C[NH2+]C3)cc1C ZINC000156647710 525240250 /nfs/dbraw/zinc/24/02/50/525240250.db2.gz LIKTWZSSVGGDER-UHFFFAOYSA-N 1 0 266.344 3.159 10 0 CGAERO C[C@H](N[C@@H](C[NH+](C)C)c1ccccc1)c1nccs1 ZINC000086507999 525540709 /nfs/dbraw/zinc/54/07/09/525540709.db2.gz RWYKBDIKPKZZKT-JSGCOSHPSA-N 1 0 275.421 3.097 10 0 CGAERO C[C@H]([NH2+][C@@H]1CN(C)C[C@H]1C)c1ccc(Cl)s1 ZINC000309553065 525584339 /nfs/dbraw/zinc/58/43/39/525584339.db2.gz IWDUZSCYVABECE-KXUCPTDWSA-N 1 0 258.818 3.002 10 0 CGAERO COc1ccc2ccccc2c1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000089162118 525652374 /nfs/dbraw/zinc/65/23/74/525652374.db2.gz YZIZSRNEMYQHOB-RHSMWYFYSA-N 1 0 285.387 3.099 10 0 CGAERO Cc1ccc([C@H]([C@H](C)[NH3+])n2ncc3ccccc32)s1 ZINC000050524104 525981222 /nfs/dbraw/zinc/98/12/22/525981222.db2.gz SFYQCOYDSWMLII-NHYWBVRUSA-N 1 0 271.389 3.343 10 0 CGAERO Cc1nn([C@@H](C[NH3+])c2ccccc2Cl)c(C)c1Cl ZINC000050586226 526303175 /nfs/dbraw/zinc/30/31/75/526303175.db2.gz NBKFIAWUERQXMR-LBPRGKRZSA-N 1 0 284.190 3.355 10 0 CGAERO Cc1nn([C@H](C[NH3+])c2ccccc2C)c(C)c1Cl ZINC000050586374 526306344 /nfs/dbraw/zinc/30/63/44/526306344.db2.gz FKYPITRJXPOEQW-CYBMUJFWSA-N 1 0 263.772 3.010 10 0 CGAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000089163758 526308394 /nfs/dbraw/zinc/30/83/94/526308394.db2.gz QQSAFUNFVXMDQX-GWCFXTLKSA-N 1 0 274.191 3.244 10 0 CGAERO Cc1nnc(S[C@H](c2ccccc2Cl)[C@@H](C)[NH3+])o1 ZINC000051037857 526390170 /nfs/dbraw/zinc/39/01/70/526390170.db2.gz XUKQYIUUVIFCNO-HQJQHLMTSA-N 1 0 283.784 3.212 10 0 CGAERO c1ccc(CC[N@@H+]2CCCN[C@@H](c3ccccc3)C2)cc1 ZINC000062671256 526464880 /nfs/dbraw/zinc/46/48/80/526464880.db2.gz WJEHTEQNVCNOQV-LJQANCHMSA-N 1 0 280.415 3.266 10 0 CGAERO c1ccc(OCCCOCC[C@H]2CCCC[NH2+]2)cc1 ZINC000061816049 526484663 /nfs/dbraw/zinc/48/46/63/526484663.db2.gz SOMLNNNVGVSVLI-OAHLLOKOSA-N 1 0 263.381 3.004 10 0 CGAERO NC(=[NH2+])c1ccc(COCc2cccc(Cl)c2)cc1 ZINC000062714846 526821897 /nfs/dbraw/zinc/82/18/97/526821897.db2.gz DTGPTOPBOKVRJE-UHFFFAOYSA-N 1 0 274.751 3.341 10 0 CGAERO Cc1nc(Cc2ccc(Cl)c(Cl)c2)nc(C)c1C[NH3+] ZINC000054836933 526927922 /nfs/dbraw/zinc/92/79/22/526927922.db2.gz 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270.417 3.068 10 0 CGAERO [NH3+]C[C@@H]1CCCC[C@H]1c1nc([C@H]2CCC(F)(F)C2)no1 ZINC000312157654 619032244 /nfs/dbraw/zinc/03/22/44/619032244.db2.gz UXJWVCHOXFBFOK-GARJFASQSA-N 1 0 285.338 3.205 10 0 CGAERO CS[C@H](C)C[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000162678251 619127389 /nfs/dbraw/zinc/12/73/89/619127389.db2.gz MXXIDKSIYIDYQS-SKDRFNHKSA-N 1 0 293.354 3.080 10 0 CGAERO C[C@@H]([NH2+]CCCCCCCO)c1ccc2c(c1)OCCO2 ZINC000181752705 619169617 /nfs/dbraw/zinc/16/96/17/619169617.db2.gz IAMJTMRKSXWSJH-CQSZACIVSA-N 1 0 293.407 3.051 10 0 CGAERO CCC[C@H]([NH3+])C(=O)N1CCc2cc(C(C)(C)C)ccc21 ZINC000236810155 619246855 /nfs/dbraw/zinc/24/68/55/619246855.db2.gz ONZQVLZNYIZESJ-AWEZNQCLSA-N 1 0 274.408 3.001 10 0 CGAERO CC(C)(C)c1csc(C[NH2+]CC[C@@H]2CCCO2)n1 ZINC000094965565 619266663 /nfs/dbraw/zinc/26/66/63/619266663.db2.gz PWKULFZNAKKHJC-NSHDSACASA-N 1 0 268.426 3.099 10 0 CGAERO CC(C)(C)C1CCC(C(=O)N[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000222588054 619400362 /nfs/dbraw/zinc/40/03/62/619400362.db2.gz ZJNHYUDFEDKMLS-UYSNPLJNSA-N 1 0 292.467 3.049 10 0 CGAERO Cc1cc(-c2noc([C@@H]3CCC[NH2+]3)n2)nc2ccccc12 ZINC000097815076 619997992 /nfs/dbraw/zinc/99/79/92/619997992.db2.gz JQADYPLRTJGWQS-ZDUSSCGKSA-N 1 0 280.331 3.018 10 0 CGAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@@H](C)N2CCCCC2)c1C ZINC000045171899 622846566 /nfs/dbraw/zinc/84/65/66/622846566.db2.gz FAXZZDXLVBGZCS-KGLIPLIRSA-N 1 0 292.471 3.045 10 0 CGAERO C[C@H](c1nc([C@H]2CC2(C)C)no1)[C@@H]([NH3+])c1ccccc1 ZINC000225477149 622911753 /nfs/dbraw/zinc/91/17/53/622911753.db2.gz GYNGRKGPGZSRRS-CYZMBNFOSA-N 1 0 271.364 3.387 10 0 CGAERO CC(C)c1nn(C)cc1-c1cccc2c1CC[C@H]2[NH3+] ZINC000232764269 623560519 /nfs/dbraw/zinc/56/05/19/623560519.db2.gz ZLWWNFFKQNPHRR-OAHLLOKOSA-N 1 0 255.365 3.157 10 0 CGAERO C[C@@H]([NH2+]CC1OCCO1)c1ccc(C(C)(C)C)cc1 ZINC000180239683 624729709 /nfs/dbraw/zinc/72/97/09/624729709.db2.gz QAKMDQUCXHIQQD-GFCCVEGCSA-N 1 0 263.381 3.008 10 0 CGAERO CC(C)(C)OC(=O)[C@]1(F)[C@@H]([NH3+])CC(C)(C)CC1(C)C ZINC000757183987 630588105 /nfs/dbraw/zinc/58/81/05/630588105.db2.gz VJYWKIVNMCWIBF-ZUZCIYMTSA-N 1 0 273.392 3.210 10 0 CGAERO Cc1ccccc1OCC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000121820029 633266481 /nfs/dbraw/zinc/26/64/81/633266481.db2.gz KAUDRIHOZVKUNL-INIZCTEOSA-N 1 0 285.391 3.324 10 0 CGAERO Cc1cc(C(C)C)nc(NCc2ccc(CC[NH3+])cc2)n1 ZINC000122556273 633435342 /nfs/dbraw/zinc/43/53/42/633435342.db2.gz LRPIQKDZNXNYLM-UHFFFAOYSA-N 1 0 284.407 3.022 10 0 CGAERO Cc1ccc(OCC[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000128546048 636031477 /nfs/dbraw/zinc/03/14/77/636031477.db2.gz COMNMILBYGYGDG-AEFFLSMTSA-N 1 0 289.419 3.001 10 0 CGAERO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc(C)cc3)[C@H]2C)o1 ZINC000886096485 637408308 /nfs/dbraw/zinc/40/83/08/637408308.db2.gz JOXHGJIPQIRXEH-BBRMVZONSA-N 1 0 285.391 3.455 10 0 CGAERO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1C[C@@H]1C ZINC000223975739 637900935 /nfs/dbraw/zinc/90/09/35/637900935.db2.gz BRAWCHCVXZKGSC-RFQIPJPRSA-N 1 0 282.428 3.163 10 0 CGAERO C[C@H](NC(=O)CCCCC[NH3+])c1ccccc1Cl ZINC000040853786 639897713 /nfs/dbraw/zinc/89/77/13/639897713.db2.gz DABFWBPBUFQNJU-NSHDSACASA-N 1 0 268.788 3.036 10 0 CGAERO COc1c(C[NH2+]CCC2CCC(C)CC2)c(C)nn1C ZINC000158333067 640001235 /nfs/dbraw/zinc/00/12/35/640001235.db2.gz MXOBWVPNWKKQOK-UHFFFAOYSA-N 1 0 279.428 3.043 10 0 CGAERO COc1ccc([C@@H](C)[NH2+]Cc2ccc(F)nc2)cc1OC ZINC000188998974 640161119 /nfs/dbraw/zinc/16/11/19/640161119.db2.gz KOHADSBDGFHACC-LLVKDONJSA-N 1 0 290.338 3.089 10 0 CGAERO CCC(CC)[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000089146962 640630662 /nfs/dbraw/zinc/63/06/62/640630662.db2.gz NVNZKLTUYJNYER-GXTWGEPZSA-N 1 0 284.444 3.458 10 0 CGAERO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000089150663 640631443 /nfs/dbraw/zinc/63/14/43/640631443.db2.gz SBTGLIWLOCRVKC-APIJFGDWSA-N 1 0 296.455 3.458 10 0 CGAERO [NH3+]C[C@H]1CCCC[C@@H]1c1nc(-c2cccc(F)c2)no1 ZINC000089383454 640643401 /nfs/dbraw/zinc/64/34/01/640643401.db2.gz ZYNPGSWSFXXVLP-YPMHNXCESA-N 1 0 275.327 3.108 10 0 CGAERO CC(C)CCCCCCNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089459687 640646478 /nfs/dbraw/zinc/64/64/78/640646478.db2.gz JSGJMGQZURDLRG-GJZGRUSLSA-N 1 0 268.445 3.084 10 0 CGAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc2ccccc2c1 ZINC000089451853 640646875 /nfs/dbraw/zinc/64/68/75/640646875.db2.gz AHULRCSTTOHJDY-HOCLYGCPSA-N 1 0 268.360 3.153 10 0 CGAERO CCCCN(C)c1ccc(NC(=O)[C@H]([NH3+])[C@H](C)CC)cc1 ZINC000246510446 640678822 /nfs/dbraw/zinc/67/88/22/640678822.db2.gz QLZWUCLMLHOALQ-CZUORRHYSA-N 1 0 291.439 3.235 10 0 CGAERO CO[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000251781541 640832531 /nfs/dbraw/zinc/83/25/31/640832531.db2.gz SSMZIFFPMCDNEW-BIGNPOOSSA-N 1 0 255.308 3.183 10 0 CGAERO C[C@@H]1C[NH+](C[C@@H](O)c2ccc3ccccc3c2)C[C@H]1C ZINC000252520675 640854354 /nfs/dbraw/zinc/85/43/54/640854354.db2.gz YJEWSKLXEXBENR-HBUWYVDXSA-N 1 0 269.388 3.461 10 0 CGAERO Cc1cc2c(ncnc2NCc2ccc3c(c2)C[NH2+]C3)s1 ZINC000097830090 640877812 /nfs/dbraw/zinc/87/78/12/640877812.db2.gz BFPPCPHTIZJANF-UHFFFAOYSA-N 1 0 296.399 3.215 10 0 CGAERO CCn1cnnc1[C@H]1CCC[N@H+](CCc2ccc(C)cc2)C1 ZINC000124327628 187132818 /nfs/dbraw/zinc/13/28/18/187132818.db2.gz HHFCEJGFJHAOJD-KRWDZBQOSA-N 1 0 298.434 3.029 10 0 CGAERO COc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2CO)cc1F ZINC000269022290 190460838 /nfs/dbraw/zinc/46/08/38/190460838.db2.gz PZRBSULODINYAB-CORIIIEPSA-N 1 0 281.371 3.036 10 0 CGAERO CC(C)c1nc(CCOc2ccccc2)sc1C[NH3+] ZINC000082430908 178008734 /nfs/dbraw/zinc/00/87/34/178008734.db2.gz QJYZJMHRGCMAJS-UHFFFAOYSA-N 1 0 276.405 3.347 10 0 CGAERO CCC[NH2+]Cc1sc(N2CCCC2)nc1C(C)C ZINC000082434740 178011370 /nfs/dbraw/zinc/01/13/70/178011370.db2.gz LEPRJWYTWGAXRI-UHFFFAOYSA-N 1 0 267.442 3.366 10 0 CGAERO COc1ccc(-c2nc(C3CC3)c(C[NH3+])s2)cc1 ZINC000082436708 178014930 /nfs/dbraw/zinc/01/49/30/178014930.db2.gz CXAWNZJJYLKHTD-UHFFFAOYSA-N 1 0 260.362 3.155 10 0 CGAERO C[NH2+]Cc1sc([C@@H]2CCCO2)nc1C(C)(C)C ZINC000082440102 178018202 /nfs/dbraw/zinc/01/82/02/178018202.db2.gz 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275.392 3.195 10 0 in-man CGAERO CCCCOCCC[NH2+]Cc1ccc(OC)c(OCC)c1 ZINC000013719873 368663095 /nfs/dbraw/zinc/66/30/95/368663095.db2.gz MWHXUDAMZIRZNH-UHFFFAOYSA-N 1 0 295.423 3.390 10 0 CGAERO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)C(C)C ZINC000016518481 368715097 /nfs/dbraw/zinc/71/50/97/368715097.db2.gz BHYKISRSWSGOCS-GHMZBOCLSA-N 1 0 298.814 3.310 10 0 CGAERO COc1ccc(OC)c2c1CC[NH2+][C@@H]2Cc1ccccc1 ZINC000019626418 368758075 /nfs/dbraw/zinc/75/80/75/368758075.db2.gz JXBGBNUEKURSRY-OAHLLOKOSA-N 1 0 283.371 3.133 10 0 CGAERO c1ccc([C@@H]2C[NH2+]CCc3c4ccccc4[nH]c32)cc1 ZINC000028260861 368883885 /nfs/dbraw/zinc/88/38/85/368883885.db2.gz COIQMGMQDHSYTQ-INIZCTEOSA-N 1 0 262.356 3.446 10 0 CGAERO COc1cc(C[C@H](C)[NH3+])ccc1OCc1ccccc1 ZINC000034324775 368974372 /nfs/dbraw/zinc/97/43/72/368974372.db2.gz JISYSNUFDJQBKV-ZDUSSCGKSA-N 1 0 271.360 3.164 10 0 CGAERO COc1ccc(-c2cc3ccccn3c2C[NH3+])cc1 ZINC000034936157 368980217 /nfs/dbraw/zinc/98/02/17/368980217.db2.gz 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CGAERO C[C@H]([NH3+])c1ccc(NC(=O)c2c(F)cccc2F)cc1 ZINC000019277842 170770069 /nfs/dbraw/zinc/77/00/69/170770069.db2.gz MOKRKCOHEHPOHZ-VIFPVBQESA-N 1 0 276.286 3.237 10 0 CGAERO CCC[NH+](CCC)[C@@H]1CCc2cc(OC)ccc2[C@@H]1N ZINC000019387616 170779663 /nfs/dbraw/zinc/77/96/63/170779663.db2.gz VOQGFXTUIACZJV-SJORKVTESA-N 1 0 276.424 3.132 10 0 CGAERO CCN(c1ccccc1C)[C@H](C[NH3+])c1ccc(C)o1 ZINC000019405004 170786628 /nfs/dbraw/zinc/78/66/28/170786628.db2.gz IANBZHHJHAWICN-OAHLLOKOSA-N 1 0 258.365 3.423 10 0 CGAERO CCc1cccc(CC)c1NC(=O)[C@H]1CCC[C@@H](C)[NH2+]1 ZINC000019425816 170794559 /nfs/dbraw/zinc/79/45/59/170794559.db2.gz IMIRMEOEFNHWAP-IUODEOHRSA-N 1 0 274.408 3.281 10 0 CGAERO [NH3+]C[C@@H]1CCN(c2ccccc2-c2ccccc2)C1 ZINC000019508146 170819088 /nfs/dbraw/zinc/81/90/88/170819088.db2.gz AQILCFUEBFDFMP-AWEZNQCLSA-N 1 0 252.361 3.139 10 0 CGAERO CCN(c1ccccc1)[C@H](C[NH3+])Cc1ccccc1 ZINC000019803016 170871803 /nfs/dbraw/zinc/87/18/03/170871803.db2.gz MGRFATCPPQTBTB-KRWDZBQOSA-N 1 0 254.377 3.083 10 0 CGAERO COc1ccc(Sc2ccc(C(N)=[NH2+])cc2)cc1 ZINC000019866465 170899750 /nfs/dbraw/zinc/89/97/50/170899750.db2.gz GIZPXGUVGZCEHV-UHFFFAOYSA-N 1 0 258.346 3.130 10 0 CGAERO C[C@@H]([NH3+])c1ccc(Oc2ccc3c(c2)CCC(=O)N3)cc1 ZINC000019873450 170903092 /nfs/dbraw/zinc/90/30/92/170903092.db2.gz WMIWNEXWUVTKDW-LLVKDONJSA-N 1 0 282.343 3.383 10 0 CGAERO c1csc(CC[NH2+][C@@H]2CCOc3ccccc32)c1 ZINC000019949488 170938492 /nfs/dbraw/zinc/93/84/92/170938492.db2.gz CYVVTIPXZBHADS-CQSZACIVSA-N 1 0 259.374 3.404 10 0 CGAERO [NH3+][C@@H](c1ccc(F)c(F)c1)c1ccc2c(c1)OCCCO2 ZINC000019968042 170950170 /nfs/dbraw/zinc/95/01/70/170950170.db2.gz SFPISLAKYLDBLZ-INIZCTEOSA-N 1 0 291.297 3.174 10 0 CGAERO CCN(Cc1ccccc1)[C@H](C[NH3+])c1cccs1 ZINC000020225299 171087087 /nfs/dbraw/zinc/08/70/87/171087087.db2.gz KVXRKQOXFOVYDK-CQSZACIVSA-N 1 0 260.406 3.270 10 0 CGAERO Cc1ccccc1CN(C)[C@H](C[NH3+])c1ccccc1 ZINC000020225369 171088840 /nfs/dbraw/zinc/08/88/40/171088840.db2.gz YWJMAPHFNVNTDK-QGZVFWFLSA-N 1 0 254.377 3.127 10 0 CGAERO CN(CC(C)(C)C)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000020225982 171089423 /nfs/dbraw/zinc/08/94/23/171089423.db2.gz GWTAVGTUDBMEAK-ZDUSSCGKSA-N 1 0 254.805 3.318 10 0 CGAERO CCCN(C)[C@@H](C[NH3+])c1c(Cl)cccc1Cl ZINC000020226712 171091593 /nfs/dbraw/zinc/09/15/93/171091593.db2.gz ZRCKWCARGYDMIA-NSHDSACASA-N 1 0 261.196 3.335 10 0 CGAERO Cc1ccc(N(CCC[NH3+])C(=O)CC(C)C)c(C)c1 ZINC000020234343 171095345 /nfs/dbraw/zinc/09/53/45/171095345.db2.gz FMZHBAZGMOQTGQ-UHFFFAOYSA-N 1 0 262.397 3.031 10 0 CGAERO CCc1cccc(O[C@@H]2Cc3ccccc3[C@H]2[NH3+])c1 ZINC000020263164 171120909 /nfs/dbraw/zinc/12/09/09/171120909.db2.gz WKPSQLLXKDKZJT-IAGOWNOFSA-N 1 0 253.345 3.253 10 0 CGAERO Cc1ccsc1[C@@H](CN)[NH+]1CCCCCCC1 ZINC000020265214 171122903 /nfs/dbraw/zinc/12/29/03/171122903.db2.gz PMKVSPADDCFNFC-CYBMUJFWSA-N 1 0 252.427 3.322 10 0 CGAERO Cc1cc(C[NH2+]CCCOCc2ccco2)cc(C)c1O ZINC000020307129 171142523 /nfs/dbraw/zinc/14/25/23/171142523.db2.gz DHDGXBQNDAVQIL-UHFFFAOYSA-N 1 0 289.375 3.299 10 0 CGAERO CCC[C@@H](C)NC(=O)[C@@H](C)[NH2+]C1CCCCCCC1 ZINC000020365573 171164230 /nfs/dbraw/zinc/16/42/30/171164230.db2.gz ZDFUOWQSTUZEJG-ZIAGYGMSSA-N 1 0 268.445 3.382 10 0 CGAERO C[C@H]1CCCC[N@@H+]1CCCNc1ccc(F)cc1N ZINC000020382933 171173128 /nfs/dbraw/zinc/17/31/28/171173128.db2.gz NEFGIKOMVMBSSM-LBPRGKRZSA-N 1 0 265.376 3.084 10 0 CGAERO COc1ccc(-c2nn(-c3cccc(C)c3)cc2C[NH3+])cc1 ZINC000020390743 171179699 /nfs/dbraw/zinc/17/96/99/171179699.db2.gz SDKDCQSAKPEYQF-UHFFFAOYSA-N 1 0 293.370 3.315 10 0 CGAERO FC(F)(F)c1ccc(N[C@H]2C[NH+]3CCC2CC3)cc1 ZINC000020440628 171203801 /nfs/dbraw/zinc/20/38/01/171203801.db2.gz NNIHQAIKIFEFCS-ZDUSSCGKSA-N 1 0 270.298 3.212 10 0 CGAERO CCOc1ccccc1Oc1ccc(C[NH3+])cc1F ZINC000020470201 171211290 /nfs/dbraw/zinc/21/12/90/171211290.db2.gz IRVRFFYZKNMKOW-UHFFFAOYSA-N 1 0 261.296 3.475 10 0 CGAERO CCCOc1ccc(O[C@H]2C[C@H](C)CC[C@@H]2[NH3+])cc1 ZINC000020473906 171218075 /nfs/dbraw/zinc/21/80/75/171218075.db2.gz CIFADEGRINOAJQ-KCXAZCMYSA-N 1 0 263.381 3.370 10 0 CGAERO CCCC[C@@H](CC)[C@H]([NH3+])c1ccc2c(c1)CC(=O)N2 ZINC000020482495 171222970 /nfs/dbraw/zinc/22/29/70/171222970.db2.gz HHJXKBPYAKYJQD-BZNIZROVSA-N 1 0 260.381 3.397 10 0 CGAERO CCCCOCCOc1ccc(F)cc1[C@H](C)[NH3+] ZINC000020517002 171232652 /nfs/dbraw/zinc/23/26/52/171232652.db2.gz UFZJXLAUKDEXNU-NSHDSACASA-N 1 0 255.333 3.041 10 0 CGAERO COC(C)(C)C[C@H](C)[NH2+]C[C@@H](c1cccs1)N(C)C ZINC000020524700 171237622 /nfs/dbraw/zinc/23/76/22/171237622.db2.gz QZRXFHQACDIZSK-STQMWFEESA-N 1 0 284.469 3.144 10 0 CGAERO CC(C)Oc1ccc([C@@H](N)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000021788280 171323057 /nfs/dbraw/zinc/32/30/57/171323057.db2.gz IENJYVMKIFUDES-RKVPGOIHSA-N 1 0 290.451 3.452 10 0 CGAERO CC(C)(C)[C@@H]([NH3+])COc1ccccc1C(F)(F)F ZINC000021816501 171332279 /nfs/dbraw/zinc/33/22/79/171332279.db2.gz HWKQXWUSRKASBO-NSHDSACASA-N 1 0 261.287 3.458 10 0 CGAERO COc1ccc2cc([C@H](CN)[N@H+](C)C(C)C)ccc2c1 ZINC000022170279 171367652 /nfs/dbraw/zinc/36/76/52/171367652.db2.gz RONXEVZILSLSFC-KRWDZBQOSA-N 1 0 272.392 3.188 10 0 CGAERO C[C@@H]([NH3+])c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 ZINC000022171641 171368185 /nfs/dbraw/zinc/36/81/85/171368185.db2.gz OWBARRWYVSZZFN-SNVBAGLBSA-N 1 0 273.311 3.489 10 0 CGAERO [NH3+]Cc1ccc(Oc2ccc3ccccc3c2)nc1 ZINC000022210379 171372925 /nfs/dbraw/zinc/37/29/25/171372925.db2.gz MUBQGQQNCQISHM-UHFFFAOYSA-N 1 0 250.301 3.486 10 0 CGAERO CCOc1ccccc1C(=O)Nc1cccc([C@@H](C)[NH3+])c1 ZINC000022218421 171376956 /nfs/dbraw/zinc/37/69/56/171376956.db2.gz WVUOKPXYAIIMEJ-GFCCVEGCSA-N 1 0 284.359 3.357 10 0 CGAERO COc1cccc([C@@H]([NH3+])COc2ccc(C)c(C)c2)c1 ZINC000022563949 171391067 /nfs/dbraw/zinc/39/10/67/171391067.db2.gz JUGGKMAMAGXGJF-KRWDZBQOSA-N 1 0 271.360 3.391 10 0 CGAERO Cc1cc(C)n([C@H]2C[C@H](c3ccccc3)CC[C@@H]2[NH3+])n1 ZINC000023066308 171407214 /nfs/dbraw/zinc/40/72/14/171407214.db2.gz BLLIPYBEVHPAEY-IKGGRYGDSA-N 1 0 269.392 3.336 10 0 CGAERO Cc1cc(C)cc(O[C@H]2Cc3ccccc3[C@@H]2[NH3+])c1 ZINC000023066121 171407558 /nfs/dbraw/zinc/40/75/58/171407558.db2.gz HZWLUPCMFGJUQU-IRXDYDNUSA-N 1 0 253.345 3.307 10 0 CGAERO CC[NH+](CC)Cc1sc(N)nc1-c1ccc(OC)cc1 ZINC000026442906 171484659 /nfs/dbraw/zinc/48/46/59/171484659.db2.gz BJVRLPIQLBIENV-UHFFFAOYSA-N 1 0 291.420 3.243 10 0 CGAERO COc1ccc([C@H](C[NH3+])Oc2ccc(F)c(F)c2)cc1 ZINC000032125789 171713215 /nfs/dbraw/zinc/71/32/15/171713215.db2.gz SOJUUKSFYJDEBL-HNNXBMFYSA-N 1 0 279.286 3.052 10 0 CGAERO COc1cc(C[NH2+]C2CC2)cc(Cl)c1OC(C)C ZINC000034652078 171847069 /nfs/dbraw/zinc/84/70/69/171847069.db2.gz HIJNPZNHOTZBBF-UHFFFAOYSA-N 1 0 269.772 3.388 10 0 CGAERO CCC[NH2+][C@@H](C)c1ccccc1OC[C@@H]1CCCO1 ZINC000034821213 171874852 /nfs/dbraw/zinc/87/48/52/171874852.db2.gz JISAAHZAIAZFPE-KBPBESRZSA-N 1 0 263.381 3.305 10 0 CGAERO CCN(CC)C(=O)[C@H](C)[NH2+][C@H]1CCSc2ccccc21 ZINC000035224764 172069295 /nfs/dbraw/zinc/06/92/95/172069295.db2.gz PLMOJLSBLSJLMZ-JSGCOSHPSA-N 1 0 292.448 3.070 10 0 CGAERO CC(C)C[NH2+][C@@H]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000035273148 172093650 /nfs/dbraw/zinc/09/36/50/172093650.db2.gz WCOVLXMYUSAVOV-GHMZBOCLSA-N 1 0 253.308 3.122 10 0 CGAERO CC[NH2+][C@H](C)c1cc(F)ccc1SCCOC ZINC000035322047 172124991 /nfs/dbraw/zinc/12/49/91/172124991.db2.gz HDXSYZPJMQSXDR-SNVBAGLBSA-N 1 0 257.374 3.235 10 0 CGAERO CCCCC[C@H]([NH3+])c1cc2c(cc1F)NC(=O)CC2 ZINC000035359630 172150233 /nfs/dbraw/zinc/15/02/33/172150233.db2.gz YZCAXGHQXLXGFM-ZDUSSCGKSA-N 1 0 264.344 3.291 10 0 CGAERO C[NH2+][C@H](c1ccc(C)s1)c1cc(OC)cc(OC)c1 ZINC000035459202 172208088 /nfs/dbraw/zinc/20/80/88/172208088.db2.gz YESKOBXUOACGJR-HNNXBMFYSA-N 1 0 277.389 3.383 10 0 CGAERO C[NH2+][C@@H](c1cnn(C)c1)c1cc(Cl)cc(Cl)c1 ZINC000035500340 172234216 /nfs/dbraw/zinc/23/42/16/172234216.db2.gz SYKLGJVERGKWJX-GFCCVEGCSA-N 1 0 270.163 3.036 10 0 CGAERO CC[C@H](C)[C@H]([NH2+]C)c1cc2c(cc1Cl)OCCO2 ZINC000035501375 172235765 /nfs/dbraw/zinc/23/57/65/172235765.db2.gz SXCULAHCEYXLNC-XPTSAGLGSA-N 1 0 269.772 3.418 10 0 CGAERO C[NH2+][C@H](Cc1ncc[nH]1)c1cccc(Cl)c1Cl ZINC000035504271 172237330 /nfs/dbraw/zinc/23/73/30/172237330.db2.gz VPMKEGQJUNCFBN-SNVBAGLBSA-N 1 0 270.163 3.220 10 0 CGAERO C[NH2+][C@H](c1occc1C)c1ccc2c(c1)C[C@@H](C)O2 ZINC000035504417 172238500 /nfs/dbraw/zinc/23/85/00/172238500.db2.gz MYXCAPRCJNQVNE-ABAIWWIYSA-N 1 0 257.333 3.220 10 0 CGAERO CC[NH2+][C@H](CC(F)(F)F)c1cc(OC)ccc1OC ZINC000035541492 172248716 /nfs/dbraw/zinc/24/87/16/172248716.db2.gz ITTUVPWYTRSQCN-LLVKDONJSA-N 1 0 277.286 3.307 10 0 CGAERO CCC[NH2+][C@@H](c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000035584335 172283142 /nfs/dbraw/zinc/28/31/42/172283142.db2.gz QJPUCDXXRPIRHR-CQSZACIVSA-N 1 0 263.772 3.163 10 0 CGAERO C[NH2+][C@@H]1COc2c1c(Cl)c(Cl)cc2Cl ZINC000035653170 172329558 /nfs/dbraw/zinc/32/95/58/172329558.db2.gz NQRHEYGJEXXWJU-ZCFIWIBFSA-N 1 0 252.528 3.300 10 0 CGAERO COc1cc2c(c(C(C)(C)C)c1)OC[C@H]2[NH2+]C1CC1 ZINC000035652767 172329921 /nfs/dbraw/zinc/32/99/21/172329921.db2.gz RDDHJMCJAOYIKF-CQSZACIVSA-N 1 0 261.365 3.178 10 0 CGAERO Brc1ccc2c(c1)[C@H]([NH2+]C1CC1)CCO2 ZINC000035657563 172332119 /nfs/dbraw/zinc/33/21/19/172332119.db2.gz YBYBSROSQOCVJA-LLVKDONJSA-N 1 0 268.154 3.025 10 0 CGAERO Brc1ccc2c(c1)[C@@H]([NH2+]C1CC1)CCO2 ZINC000035657564 172332722 /nfs/dbraw/zinc/33/27/22/172332722.db2.gz YBYBSROSQOCVJA-NSHDSACASA-N 1 0 268.154 3.025 10 0 CGAERO CN(Cc1cccs1)[C@H](C[NH3+])c1cccc(F)c1 ZINC000035717008 172370861 /nfs/dbraw/zinc/37/08/61/172370861.db2.gz WHDOPNRINWQXOG-CQSZACIVSA-N 1 0 264.369 3.019 10 0 CGAERO CCCCOc1ccc(Br)cc1CC[NH3+] ZINC000036193441 172505699 /nfs/dbraw/zinc/50/56/99/172505699.db2.gz JLPFOPOWPUPCPZ-UHFFFAOYSA-N 1 0 272.186 3.129 10 0 CGAERO CC[C@H](C)CN(C)c1nc2ccccc2cc1C[NH3+] ZINC000037173825 173007553 /nfs/dbraw/zinc/00/75/53/173007553.db2.gz QDNJAXYHVVOOJV-LBPRGKRZSA-N 1 0 257.381 3.176 10 0 CGAERO [NH3+]CC[C@H](O[C@H]1CCCc2ccccc21)C(F)(F)F ZINC000037179354 173012977 /nfs/dbraw/zinc/01/29/77/173012977.db2.gz KAQSGULVZNMJEI-STQMWFEESA-N 1 0 273.298 3.360 10 0 CGAERO COc1ccc2c(c1)[C@H]([NH2+]CCc1ccccc1)CCO2 ZINC000037202201 173025873 /nfs/dbraw/zinc/02/58/73/173025873.db2.gz SZZSNMSFBBIWHE-QGZVFWFLSA-N 1 0 283.371 3.351 10 0 CGAERO C[C@@H]1CCC[C@H](OC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000037222979 173043150 /nfs/dbraw/zinc/04/31/50/173043150.db2.gz DQKZWMWFSGMBLB-RISCZKNCSA-N 1 0 262.353 3.273 10 0 CGAERO CN([C@@H](C[NH3+])c1cc(F)ccc1F)C1CCCCC1 ZINC000037233479 173052236 /nfs/dbraw/zinc/05/22/36/173052236.db2.gz HNWJAXNDINAUSN-HNNXBMFYSA-N 1 0 268.351 3.229 10 0 CGAERO CC(C)[C@@H](CN[C@H]1CSCc2ccccc21)[NH+](C)C ZINC000037233576 173052346 /nfs/dbraw/zinc/05/23/46/173052346.db2.gz ZTMBZDNNKYAIGJ-JKSUJKDBSA-N 1 0 278.465 3.150 10 0 CGAERO CCC[NH2+][C@H]1CCN(c2cccc3ccccc32)C1 ZINC000037240348 173057261 /nfs/dbraw/zinc/05/72/61/173057261.db2.gz JPUWDMUULUOCMT-HNNXBMFYSA-N 1 0 254.377 3.418 10 0 CGAERO COC(=O)CC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000037308572 173111027 /nfs/dbraw/zinc/11/10/27/173111027.db2.gz NSXVJQRZJFHARP-GFCCVEGCSA-N 1 0 263.381 3.198 10 0 CGAERO COc1ccc(C(=O)[C@@H](C)[N@H+](C)C2CCCC2)cc1 ZINC000037334770 173135014 /nfs/dbraw/zinc/13/50/14/173135014.db2.gz GISVYUCSMHDNEB-GFCCVEGCSA-N 1 0 261.365 3.141 10 0 CGAERO CC[C@@H](C)[NH2+]CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000037386291 173168646 /nfs/dbraw/zinc/16/86/46/173168646.db2.gz FZYIRZDPYODBAZ-SECBINFHSA-N 1 0 274.286 3.032 10 0 CGAERO CC[C@H](C)[NH2+]CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000037386292 173169107 /nfs/dbraw/zinc/16/91/07/173169107.db2.gz FZYIRZDPYODBAZ-VIFPVBQESA-N 1 0 274.286 3.032 10 0 CGAERO COC(=O)CCC[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000037415783 173192154 /nfs/dbraw/zinc/19/21/54/173192154.db2.gz RABGWHFWAGIXSI-AWEZNQCLSA-N 1 0 263.381 3.216 10 0 CGAERO CCC[C@@](C)([NH3+])c1nc(-c2ccc(OC)cc2)c[nH]1 ZINC000037621039 173571020 /nfs/dbraw/zinc/57/10/20/173571020.db2.gz ZKRASZTWACKVNE-OAHLLOKOSA-N 1 0 259.353 3.059 10 0 CGAERO c1cc(C[NH2+]CCC2CCCCC2)cc2c1OCO2 ZINC000037739843 173660046 /nfs/dbraw/zinc/66/00/46/173660046.db2.gz IFNQPLZTCMTYOS-UHFFFAOYSA-N 1 0 261.365 3.475 10 0 CGAERO CC[NH2+][C@H](CC)CCc1ncc(C)c(OC)c1C ZINC000037948764 173889220 /nfs/dbraw/zinc/88/92/20/173889220.db2.gz IZGCUJKCJBQBHQ-CYBMUJFWSA-N 1 0 250.386 3.028 10 0 CGAERO CC[C@@H](C)[C@@H](C(=O)N[C@@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000038049356 174060424 /nfs/dbraw/zinc/06/04/24/174060424.db2.gz HNUARWLSZHIZOD-XLNGHYISSA-N 1 0 288.435 3.202 10 0 CGAERO CC(C)[NH2+]Cc1ccc(-n2cc(Br)cn2)cc1 ZINC000038054633 174065606 /nfs/dbraw/zinc/06/56/06/174065606.db2.gz XTPNGKCEVFDEGN-UHFFFAOYSA-N 1 0 294.196 3.133 10 0 CGAERO C[NH2+]Cc1cc(-c2cc(F)cc(F)c2)ccc1OC ZINC000038070274 174081387 /nfs/dbraw/zinc/08/13/87/174081387.db2.gz SCQRQLINVITLOL-UHFFFAOYSA-N 1 0 263.287 3.360 10 0 CGAERO Cc1nn(C)c(C)c1-c1ccc(C[NH2+]C(C)C)cc1 ZINC000038073149 174083259 /nfs/dbraw/zinc/08/32/59/174083259.db2.gz YKTSACREMLKSRP-UHFFFAOYSA-N 1 0 257.381 3.202 10 0 CGAERO [NH3+]Cc1ccc(-c2ccc3c(c2)CCCO3)cc1F ZINC000038073860 174084022 /nfs/dbraw/zinc/08/40/22/174084022.db2.gz XZDKDZQNYJOKKO-UHFFFAOYSA-N 1 0 257.308 3.276 10 0 CGAERO C[C@@H](c1ccc(C(C)(C)C)cc1)N1CCC[NH2+]CC1 ZINC000038087003 174098508 /nfs/dbraw/zinc/09/85/08/174098508.db2.gz MSRVMEFHNUJHBI-AWEZNQCLSA-N 1 0 260.425 3.340 10 0 CGAERO C[C@@H](NC(=O)CC[NH2+]C(C)(C)C)c1cccc(Cl)c1 ZINC000038092854 174106795 /nfs/dbraw/zinc/10/67/95/174106795.db2.gz UVTZTKKZEQHIOZ-LLVKDONJSA-N 1 0 282.815 3.295 10 0 CGAERO C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1cc(F)ccc1F ZINC000038095681 174109303 /nfs/dbraw/zinc/10/93/03/174109303.db2.gz NUSAKYMBAKASBZ-PWSUYJOCSA-N 1 0 255.308 3.185 10 0 CGAERO CC(C)C[C@H]([NH3+])C(=O)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000038101375 174117148 /nfs/dbraw/zinc/11/71/48/174117148.db2.gz VEKKPKAQIUWSFV-FZMZJTMJSA-N 1 0 282.815 3.233 10 0 CGAERO C[C@H](c1cccc(Cl)c1)N(C)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000038101352 174117296 /nfs/dbraw/zinc/11/72/96/174117296.db2.gz PWNRGCCXKLOGBB-RISCZKNCSA-N 1 0 280.799 3.002 10 0 CGAERO CC[NH2+][C@H](Cc1cccc(OC)c1)c1ccc(C)o1 ZINC000038134766 174132279 /nfs/dbraw/zinc/13/22/79/174132279.db2.gz OTVDSYITQJVHIB-OAHLLOKOSA-N 1 0 259.349 3.490 10 0 CGAERO Cc1ccc2c(c1)[C@@H]([NH3+])CN2Cc1ccc(F)cc1 ZINC000039941617 174176131 /nfs/dbraw/zinc/17/61/31/174176131.db2.gz HTEGCCWTTOXMAC-HNNXBMFYSA-N 1 0 256.324 3.154 10 0 CGAERO CC[C@@H](C)n1c2cc(Cl)ccc2nc1CC[NH3+] ZINC000040408289 174253968 /nfs/dbraw/zinc/25/39/68/174253968.db2.gz MCLNEYBIJCHVTJ-SECBINFHSA-N 1 0 251.761 3.162 10 0 CGAERO CC[C@H](C)n1c(C[NH2+]C)nc2ccc(Cl)cc21 ZINC000040408167 174254050 /nfs/dbraw/zinc/25/40/50/174254050.db2.gz IHELCXTWDJXVRH-VIFPVBQESA-N 1 0 251.761 3.380 10 0 CGAERO Brc1ccc(CC[C@@H]2CCC[NH2+]2)cc1 ZINC000041324144 174520498 /nfs/dbraw/zinc/52/04/98/174520498.db2.gz QFKOIUVFPUCVAE-LBPRGKRZSA-N 1 0 254.171 3.134 10 0 CGAERO Cc1ccccc1C[C@H](C[NH3+])Cc1ccccc1F ZINC000041328314 174524785 /nfs/dbraw/zinc/52/47/85/174524785.db2.gz SLEIEBHKTOAKLM-AWEZNQCLSA-N 1 0 257.352 3.494 10 0 CGAERO CC[C@H]([NH2+]CC(=O)Nc1cccc(Cl)c1)C(C)C ZINC000042589255 174810654 /nfs/dbraw/zinc/81/06/54/174810654.db2.gz WRUHGIIJRQDDKM-ZDUSSCGKSA-N 1 0 268.788 3.303 10 0 CGAERO C[C@@H]([NH3+])[C@@H](Oc1cccc(F)c1)c1ccccc1F ZINC000043047194 174957327 /nfs/dbraw/zinc/95/73/27/174957327.db2.gz SCSYLTZBXDDUDV-MEBBXXQBSA-N 1 0 263.287 3.432 10 0 CGAERO C[C@@H]([NH3+])[C@@H](Sc1nncs1)c1ccccc1Cl ZINC000043089412 174963634 /nfs/dbraw/zinc/96/36/34/174963634.db2.gz TYXAIGACROCLCL-GMSGAONNSA-N 1 0 285.825 3.372 10 0 CGAERO CC[C@@H](Cc1cc(Br)cs1)[C@@H](C)[NH3+] ZINC000043688071 175094820 /nfs/dbraw/zinc/09/48/20/175094820.db2.gz JNXUPOYHTWOEJO-SFYZADRCSA-N 1 0 262.216 3.427 10 0 CGAERO CC[NH2+][C@@H](CN1CCCCC1)c1cc(C)ccc1C ZINC000043814277 175111909 /nfs/dbraw/zinc/11/19/09/175111909.db2.gz ICFQHWFYQSFBFB-KRWDZBQOSA-N 1 0 260.425 3.440 10 0 CGAERO CC[NH2+]Cc1nc(-c2ccc(Br)s2)c[nH]1 ZINC000044651810 175224762 /nfs/dbraw/zinc/22/47/62/175224762.db2.gz IRJHBPAUVUKQDR-UHFFFAOYSA-N 1 0 286.198 3.010 10 0 CGAERO [NH3+][C@@H]1CCCC[C@H]1c1ccc(Br)cc1 ZINC000062625255 175669709 /nfs/dbraw/zinc/66/97/09/175669709.db2.gz GRKTUSLJZDCUBN-NWDGAFQWSA-N 1 0 254.171 3.434 10 0 CGAERO CC(C)(C)N1CC[C@H]([NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000070299937 175886527 /nfs/dbraw/zinc/88/65/27/175886527.db2.gz OXUQCZJNJPLSAY-STQMWFEESA-N 1 0 270.779 3.352 10 0 CGAERO CC(C)[C@H]1[NH2+]CCc2c(Br)cccc21 ZINC000070821295 176007514 /nfs/dbraw/zinc/00/75/14/176007514.db2.gz YXIOKHLEZHWMQL-GFCCVEGCSA-N 1 0 254.171 3.292 10 0 CGAERO CCC[NH2+][C@@H](C)c1cnc(-c2c(C)noc2C)s1 ZINC000071138023 176036393 /nfs/dbraw/zinc/03/63/93/176036393.db2.gz VFFRCTWGNRCWJK-QMMMGPOBSA-N 1 0 265.382 3.476 10 0 CGAERO C[NH2+][C@@H](C)c1cnn(Cc2ccccc2Cl)c1C ZINC000071194033 176075826 /nfs/dbraw/zinc/07/58/26/176075826.db2.gz WGVGGJJDYYEGDE-JTQLQIEISA-N 1 0 263.772 3.174 10 0 CGAERO CC[C@@H]([NH3+])c1c[nH]c2ccc(Br)cc21 ZINC000071488018 176189689 /nfs/dbraw/zinc/18/96/89/176189689.db2.gz CVMKSLSSMQRRTN-SNVBAGLBSA-N 1 0 253.143 3.340 10 0 CGAERO C[C@@H]([NH3+])C1(Cc2cccc(Br)c2)CC1 ZINC000071575408 176202692 /nfs/dbraw/zinc/20/26/92/176202692.db2.gz ZRLSXCDHLCIEEK-SECBINFHSA-N 1 0 254.171 3.119 10 0 CGAERO C[NH2+]CC[C@H](O)c1ccc(Oc2ccccc2)cc1 ZINC000071582336 176207254 /nfs/dbraw/zinc/20/72/54/176207254.db2.gz IBMUQMPPGGKNET-INIZCTEOSA-N 1 0 257.333 3.122 10 0 CGAERO CC[NH2+][C@@H](C)[C@@H](O)c1cc(C(C)C)c(OC)cc1C ZINC000071598023 176221474 /nfs/dbraw/zinc/22/14/74/176221474.db2.gz IJSQSRGWDYBVRR-BLLLJJGKSA-N 1 0 265.397 3.158 10 0 CGAERO C[NH2+]Cc1ncc(-c2cc(Cl)ccc2OC)s1 ZINC000071600012 176225920 /nfs/dbraw/zinc/22/59/20/176225920.db2.gz ZEBUBNXFAQNPGT-UHFFFAOYSA-N 1 0 268.769 3.192 10 0 CGAERO CCOc1ccc([C@@H](O)[C@@H](C)[NH2+]C(C)C)cc1Cl ZINC000071611268 176231866 /nfs/dbraw/zinc/23/18/66/176231866.db2.gz JUWYBYZIHYZCIM-YGRLFVJLSA-N 1 0 271.788 3.159 10 0 CGAERO CC(C)c1ccc([C@H]2Cc3n[nH]cc3[C@@H]([NH3+])C2)cc1 ZINC000072415347 176399549 /nfs/dbraw/zinc/39/95/49/176399549.db2.gz OIQWNSTUGLLLFX-HIFRSBDPSA-N 1 0 255.365 3.263 10 0 CGAERO CC[C@@H](C)c1ccc(N(C)C(=O)C[NH2+]C(C)C)cc1 ZINC000076357338 177000020 /nfs/dbraw/zinc/00/00/20/177000020.db2.gz KXPDNMYNFVQTDB-CYBMUJFWSA-N 1 0 262.397 3.161 10 0 CGAERO CCC[C@@H](CC[NH3+])C(=O)Nc1cccc(Cl)c1 ZINC000076658772 177047697 /nfs/dbraw/zinc/04/76/97/177047697.db2.gz AYNOXWDIAIXCKC-JTQLQIEISA-N 1 0 254.761 3.044 10 0 CGAERO Cc1ccccc1CC[C@@H](CC[NH3+])c1cccn1C ZINC000076663313 177050186 /nfs/dbraw/zinc/05/01/86/177050186.db2.gz LAOCLIQLUWYJGE-INIZCTEOSA-N 1 0 256.393 3.399 10 0 CGAERO CN(C[C@H](CC[NH3+])c1cccs1)c1ccccc1 ZINC000076671347 177053621 /nfs/dbraw/zinc/05/36/21/177053621.db2.gz KGNAJBRONQKCQC-ZDUSSCGKSA-N 1 0 260.406 3.317 10 0 CGAERO CCc1cccc(OC[C@H](C[NH3+])c2cccs2)c1 ZINC000076673118 177054544 /nfs/dbraw/zinc/05/45/44/177054544.db2.gz FJRAYRICXZDWCY-ZDUSSCGKSA-N 1 0 261.390 3.432 10 0 CGAERO Cc1ccc(NC(=O)[C@@H](CC[NH3+])CC(C)C)c(C)c1 ZINC000076675511 177055982 /nfs/dbraw/zinc/05/59/82/177055982.db2.gz UPKVRKPKNZIMTD-AWEZNQCLSA-N 1 0 262.397 3.253 10 0 CGAERO CC(C)[C@H](CCC[NH3+])C(=O)Nc1cccc(Cl)c1 ZINC000076706010 177065513 /nfs/dbraw/zinc/06/55/13/177065513.db2.gz QVDWHGMEQNGEFU-ZDUSSCGKSA-N 1 0 268.788 3.290 10 0 CGAERO CC[C@@H](C[NH3+])CCC(=O)Nc1ccc(Cl)cc1C ZINC000076706065 177065982 /nfs/dbraw/zinc/06/59/82/177065982.db2.gz WFEYCSOPBJWWST-LLVKDONJSA-N 1 0 268.788 3.352 10 0 CGAERO CCCCN(CC[NH3+])c1ccc(Br)cc1 ZINC000076710960 177067878 /nfs/dbraw/zinc/06/78/78/177067878.db2.gz IGPQOSLLUGUOTB-UHFFFAOYSA-N 1 0 271.202 3.014 10 0 CGAERO CC[C@H](CC[NH3+])C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000076719101 177069476 /nfs/dbraw/zinc/06/94/76/177069476.db2.gz XBHCPONMLQZYPY-SECBINFHSA-N 1 0 274.286 3.019 10 0 CGAERO CC[C@H](C[NH3+])CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000076722296 177070109 /nfs/dbraw/zinc/07/01/09/177070109.db2.gz RYSHQVIDGJAOPU-QMMMGPOBSA-N 1 0 275.179 3.307 10 0 CGAERO C[NH2+][C@H](C)c1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000076784728 177092488 /nfs/dbraw/zinc/09/24/88/177092488.db2.gz WHZVRRNCQJZEGP-SECBINFHSA-N 1 0 278.377 3.108 10 0 CGAERO Cc1cc(Br)ccc1NC(=O)CC[C@@H](C)C[NH3+] ZINC000076870295 177125323 /nfs/dbraw/zinc/12/53/23/177125323.db2.gz FXWLDZBUVOUMQP-SECBINFHSA-N 1 0 299.212 3.071 10 0 CGAERO C[C@]1(c2ccc(Br)cc2)CCCC[NH2+]1 ZINC000077607655 177284278 /nfs/dbraw/zinc/28/42/78/177284278.db2.gz HTJQINMJXFMSIV-GFCCVEGCSA-N 1 0 254.171 3.438 10 0 CGAERO O[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@H]2C2CCCC2)C1 ZINC000310757428 416531677 /nfs/dbraw/zinc/53/16/77/416531677.db2.gz AEWSAODLHAOCKR-BMFZPTHFSA-N 1 0 251.414 3.192 10 0 CGAERO C[C@@H](N[C@H]1C[NH2+]C[C@@H](C)C1)c1ccc(Cl)s1 ZINC000401796456 416546176 /nfs/dbraw/zinc/54/61/76/416546176.db2.gz JRBKYFIXRZJMLZ-IVZWLZJFSA-N 1 0 258.818 3.050 10 0 CGAERO C[C@@H]1CC(C)(C)C[C@](C[NH3+])(C(=O)OC(C)(C)C)C1 ZINC000725244058 544111856 /nfs/dbraw/zinc/11/18/56/544111856.db2.gz DDUYPOUSKLLLIT-IAQYHMDHSA-N 1 0 255.402 3.119 10 0 CGAERO CC(C)[C@@H]1C[NH2+][C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000725255595 544113374 /nfs/dbraw/zinc/11/33/74/544113374.db2.gz FQUHXTWUKWTFNR-BBRMVZONSA-N 1 0 282.428 3.022 10 0 CGAERO C[NH2+][C@H](c1cc2cc(C(=O)OC)cc(C)c2o1)C(C)C ZINC000725264885 544114018 /nfs/dbraw/zinc/11/40/18/544114018.db2.gz QNXVCKNRELMRPR-AWEZNQCLSA-N 1 0 275.348 3.444 10 0 CGAERO Clc1ccc(Cl)c(-c2cnnn2[C@H]2CCC[NH2+]C2)c1 ZINC000725266194 544114662 /nfs/dbraw/zinc/11/46/62/544114662.db2.gz VQIBKDBIYQSFFJ-JTQLQIEISA-N 1 0 297.189 3.176 10 0 CGAERO O[C@@H]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2c2nccs2)C1 ZINC000659867633 419020906 /nfs/dbraw/zinc/02/09/06/419020906.db2.gz IFEIMAOILJEKHU-MGPQQGTHSA-N 1 0 280.437 3.221 10 0 CGAERO CC1(C)CCN(C(=O)C[C@@H]2CCC[NH2+]C2)CC(C)(C)C1 ZINC000659358160 418979022 /nfs/dbraw/zinc/97/90/22/418979022.db2.gz PWMPLPQHZMHSEH-AWEZNQCLSA-N 1 0 280.456 3.051 10 0 CGAERO CC1(C)CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC(C)(C)C1 ZINC000659357276 418979352 /nfs/dbraw/zinc/97/93/52/418979352.db2.gz GHAFHHHHDZPOMF-UONOGXRCSA-N 1 0 280.456 3.036 10 0 CGAERO CC[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CO1 ZINC000657301723 419246438 /nfs/dbraw/zinc/24/64/38/419246438.db2.gz FVKQPBYAUKFYFE-NOOOWODRSA-N 1 0 265.319 3.265 10 0 CGAERO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(F)c(F)c2F)C[C@H](C)O1 ZINC000657455818 419283347 /nfs/dbraw/zinc/28/33/47/419283347.db2.gz MNHQVTFDDULMQD-JGPRNRPPSA-N 1 0 287.325 3.397 10 0 CGAERO COCc1nc(C[NH2+]CC2C[C@@H](C)C[C@H](C)C2)cs1 ZINC000657590496 419311661 /nfs/dbraw/zinc/31/16/61/419311661.db2.gz ZRWPJXPIVWWCDQ-RYUDHWBXSA-N 1 0 282.453 3.451 10 0 CGAERO CC[C@@H](c1ccc(Br)cc1)N1CC[NH2+][C@H](C)C1 ZINC000088058786 260420630 /nfs/dbraw/zinc/42/06/30/260420630.db2.gz XLCKHXRYIMYHIQ-RISCZKNCSA-N 1 0 297.240 3.194 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1ccc(F)cc1F ZINC000037166681 270028826 /nfs/dbraw/zinc/02/88/26/270028826.db2.gz PDTHFMCAUWGPOG-CQSZACIVSA-N 1 0 270.367 3.031 10 0 CGAERO Cc1cccc(C[NH2+][C@@H](CC(C)C)CN(C)C)c1C ZINC000043314152 270034384 /nfs/dbraw/zinc/03/43/84/270034384.db2.gz TUQBRJBOICOSOW-KRWDZBQOSA-N 1 0 262.441 3.369 10 0 CGAERO Cc1cnn(CC[NH2+][C@H]2CCC[C@@H](CC(C)C)C2)c1 ZINC000232608466 287646136 /nfs/dbraw/zinc/64/61/36/287646136.db2.gz OIHYUUBEJZZTLR-HOTGVXAUSA-N 1 0 263.429 3.386 10 0 CGAERO C[C@H]1C[C@@H](C(=O)NCCC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC000183558250 270055853 /nfs/dbraw/zinc/05/58/53/270055853.db2.gz NFHFHMCCZPBOEY-GOEBONIOSA-N 1 0 294.483 3.297 10 0 CGAERO C[C@H]1C(=O)NCCC[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000189074812 270070599 /nfs/dbraw/zinc/07/05/99/270070599.db2.gz QKRGOQGRKZSZOB-HNNXBMFYSA-N 1 0 294.398 3.064 10 0 CGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cccc3ccccc32)C1 ZINC000194310780 270081755 /nfs/dbraw/zinc/08/17/55/270081755.db2.gz NAEROGMFGVKBTN-OAHLLOKOSA-N 1 0 297.402 3.446 10 0 CGAERO Cc1cc(C)c(C[NH2+][C@H]2CCCC[C@@H]2CO)cc1C ZINC000219020958 270085851 /nfs/dbraw/zinc/08/58/51/270085851.db2.gz NRBGXWQCSCYUBC-WBVHZDCISA-N 1 0 261.409 3.253 10 0 CGAERO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCCN2C)cc1C ZINC000222705108 270086146 /nfs/dbraw/zinc/08/61/46/270086146.db2.gz ACQBPWMTZDRQNT-HZPDHXFCSA-N 1 0 260.425 3.357 10 0 CGAERO CCN1CCC[C@@H]([NH2+][C@H](C)c2cccc(Cl)c2)C1 ZINC000250306558 270091242 /nfs/dbraw/zinc/09/12/42/270091242.db2.gz LFHXZKNMHQIPDR-IUODEOHRSA-N 1 0 266.816 3.475 10 0 CGAERO CCN1CC[C@H]([NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000328349249 270095138 /nfs/dbraw/zinc/09/51/38/270095138.db2.gz MWHYNRPVSZSRLD-GJZGRUSLSA-N 1 0 250.430 3.173 10 0 CGAERO CSc1ccc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000520793644 270099012 /nfs/dbraw/zinc/09/90/12/270099012.db2.gz DJSCQZIELOBACS-NWDGAFQWSA-N 1 0 250.411 3.209 10 0 CGAERO CC(C)(C)OC[C@H](O)C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000246423551 287705959 /nfs/dbraw/zinc/70/59/59/287705959.db2.gz CGIJHXYLZFGYLP-KFWWJZLASA-N 1 0 285.472 3.357 10 0 CGAERO OC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000247970484 287752471 /nfs/dbraw/zinc/75/24/71/287752471.db2.gz HGLZUFRVNKULOE-RCBQFDQVSA-N 1 0 279.811 3.468 10 0 CGAERO Brc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCCOC1 ZINC000103963718 275370941 /nfs/dbraw/zinc/37/09/41/275370941.db2.gz DJDRAOHIVCAPSB-JSGCOSHPSA-N 1 0 296.208 3.205 10 0 CGAERO COc1ccc([C@@H]([NH2+][C@H]2CC[C@H](O)CC2)C2CC2)cc1 ZINC000252730899 287844005 /nfs/dbraw/zinc/84/40/05/287844005.db2.gz NKGFGGZMBGIVHE-ZOBUZTSGSA-N 1 0 275.392 3.039 10 0 CGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCOc3ccccc32)C12CCC2 ZINC000087709867 276353777 /nfs/dbraw/zinc/35/37/77/276353777.db2.gz ZVHVRFGJIMDYKC-HYVNUMGLSA-N 1 0 287.403 3.448 10 0 CGAERO C[N@@H+]1CCc2ccccc2[C@H]1Cc1ccc(F)cc1N ZINC000031622798 277188339 /nfs/dbraw/zinc/18/83/39/277188339.db2.gz NLUAPZXHOITBQV-QGZVFWFLSA-N 1 0 270.351 3.180 10 0 CGAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCCC[C@@H]1O)CCC2 ZINC000135605679 277990960 /nfs/dbraw/zinc/99/09/60/277990960.db2.gz XQMXCFWGBOLSRD-KURKYZTESA-N 1 0 289.419 3.356 10 0 CGAERO CC1(C)CCC[C@@H](CC(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000335051418 278225322 /nfs/dbraw/zinc/22/53/22/278225322.db2.gz IWDGUDFTJREMAS-UONOGXRCSA-N 1 0 280.456 3.179 10 0 CGAERO C[C@@H]([NH2+]C1(C2CCC2)CCC1)C(=O)Nc1ccccc1 ZINC000459757985 278333484 /nfs/dbraw/zinc/33/34/84/278333484.db2.gz HPCFCHZORXCNDB-CYBMUJFWSA-N 1 0 272.392 3.326 10 0 CGAERO CC(C)c1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])C2CCC2)cc1 ZINC000399156032 288049863 /nfs/dbraw/zinc/04/98/63/288049863.db2.gz DAMQJCSBEIVWRR-WBMJQRKESA-N 1 0 274.408 3.115 10 0 CGAERO CC(C)[C@@H](C(=O)N[C@@H](C)c1ccccc1Cl)[C@@H](C)[NH3+] ZINC000399732028 288053973 /nfs/dbraw/zinc/05/39/73/288053973.db2.gz MHHRRKUSHYJPDZ-UHIISALHSA-N 1 0 282.815 3.137 10 0 CGAERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000247398021 288075131 /nfs/dbraw/zinc/07/51/31/288075131.db2.gz MKIZJZOWCXZPTJ-SIXLDLHFSA-N 1 0 292.467 3.001 10 0 CGAERO Cc1nc([C@@H]2CCCN2CC[NH+]2CCC(C)CC2)cs1 ZINC000189825481 279106330 /nfs/dbraw/zinc/10/63/30/279106330.db2.gz DKVBPWGAUDURRD-INIZCTEOSA-N 1 0 293.480 3.320 10 0 CGAERO Clc1cccc2c1CC[C@@H]2N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178676998 279295471 /nfs/dbraw/zinc/29/54/71/279295471.db2.gz JTBGCPPPQPOEEH-WBMJQRKESA-N 1 0 276.811 3.107 10 0 CGAERO CC[C@@H](C)NC(=O)CC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000225625726 280105809 /nfs/dbraw/zinc/10/58/09/280105809.db2.gz OULHFBHHQSNUIR-MCIONIFRSA-N 1 0 268.445 3.096 10 0 CGAERO CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2nnc(C(C)C)n2C1 ZINC000245788837 280274457 /nfs/dbraw/zinc/27/44/57/280274457.db2.gz ZZVKZDUJORAFPF-QLFBSQMISA-N 1 0 290.455 3.275 10 0 CGAERO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1CCCC[C@H]1O ZINC000247931225 281078735 /nfs/dbraw/zinc/07/87/35/281078735.db2.gz CAWGTGOGJAHGMX-HYVNUMGLSA-N 1 0 289.419 3.349 10 0 CGAERO CC1(C)CN(C(=O)C[C@@H]2CCCCC2(C)C)CC[C@H]1[NH3+] ZINC000335053948 281165790 /nfs/dbraw/zinc/16/57/90/281165790.db2.gz UAHHNXRUEHVBDZ-UONOGXRCSA-N 1 0 280.456 3.179 10 0 CGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCC(C)(C)C ZINC000175005730 281188463 /nfs/dbraw/zinc/18/84/63/281188463.db2.gz WPGDLVMATLOZHW-LSDHHAIUSA-N 1 0 280.456 3.288 10 0 CGAERO Cc1nnc([C@@H]([NH2+][C@H](C)C2CCCC2)c2ccccc2)[nH]1 ZINC000162626040 293359777 /nfs/dbraw/zinc/35/97/77/293359777.db2.gz LLIUMSNPHJEXJK-WBMJQRKESA-N 1 0 284.407 3.371 10 0 CGAERO COc1ccc([C@@H]([NH2+][C@H](C)CSC)C2CC2)cc1 ZINC000229353492 295217403 /nfs/dbraw/zinc/21/74/03/295217403.db2.gz KXEIEUFJRKUVIP-ABAIWWIYSA-N 1 0 265.422 3.487 10 0 CGAERO COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2=O)[N@@H+](C)CC3 ZINC000005699846 295273168 /nfs/dbraw/zinc/27/31/68/295273168.db2.gz UOCRGKKCNCIQCZ-QILLFSRXSA-N 1 0 285.387 3.024 10 0 CGAERO [NH3+][C@@H](c1ccc2c(c1)OCCCO2)C1CCCCC1 ZINC000015014401 295295961 /nfs/dbraw/zinc/29/59/61/295295961.db2.gz BIHFZTSALGJXJX-MRXNPFEDSA-N 1 0 261.365 3.428 10 0 CGAERO [NH3+][C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000069309411 295296055 /nfs/dbraw/zinc/29/60/55/295296055.db2.gz DQVBLMWUVHUBEG-GFCCVEGCSA-N 1 0 259.271 3.132 10 0 CGAERO COc1cccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)c1 ZINC000328926656 295324757 /nfs/dbraw/zinc/32/47/57/295324757.db2.gz WOTSTAMSGHFHER-UXEPBGEESA-N 1 0 288.391 3.243 10 0 CGAERO Cc1ccccc1[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH3+] ZINC000216008288 302219949 /nfs/dbraw/zinc/21/99/49/302219949.db2.gz ILFQFCCOFNHOOC-CABCVRRESA-N 1 0 290.407 3.047 10 0 CGAERO Cc1nc(C)c([C@@H](C)[NH2+][C@H](CC(C)C)CN(C)C)s1 ZINC000111361325 302578318 /nfs/dbraw/zinc/57/83/18/302578318.db2.gz YKTXPAHNDHQNOO-TZMCWYRMSA-N 1 0 283.485 3.387 10 0 CGAERO Cc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCCCCC2)c1 ZINC000157328587 321793839 /nfs/dbraw/zinc/79/38/39/321793839.db2.gz BFSRUJWQBSUJTJ-HOTGVXAUSA-N 1 0 288.435 3.437 10 0 CGAERO C[C@H](Nc1ccc(-c2cnco2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000565231760 322068212 /nfs/dbraw/zinc/06/82/12/322068212.db2.gz GLSVGDQYPCQAAU-GXTWGEPZSA-N 1 0 271.364 3.142 10 0 CGAERO Cc1nc(C[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)[nH]c1C ZINC000569624669 322252481 /nfs/dbraw/zinc/25/24/81/322252481.db2.gz ZOSAGKDGNNTEMY-WDEREUQCSA-N 1 0 275.318 3.237 10 0 CGAERO CC[C@@H](C)[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000379632362 330144646 /nfs/dbraw/zinc/14/46/46/330144646.db2.gz NPWKKNLUTOWKIG-WBVHZDCISA-N 1 0 260.425 3.429 10 0 CGAERO CC(C)(C)OC(=O)[C@]1([NH3+])CCCC[C@@H]1C(C)(C)C ZINC000521400510 333250022 /nfs/dbraw/zinc/25/00/22/333250022.db2.gz KZBADMSIKDVMMH-ABAIWWIYSA-N 1 0 255.402 3.262 10 0 CGAERO [NH3+]C[C@H]1CC[C@H](Nc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000382458935 336091051 /nfs/dbraw/zinc/09/10/51/336091051.db2.gz SWHDJPXUCQHDHM-CBAPKCEASA-N 1 0 293.720 3.293 10 0 CGAERO Cc1nnsc1C[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000384245408 336122774 /nfs/dbraw/zinc/12/27/74/336122774.db2.gz KEZZQHGXHLGDQD-KGYLQXTDSA-N 1 0 267.442 3.397 10 0 CGAERO CC(C)OCCOc1ccc(Cl)cc1C[C@H](C)[NH3+] ZINC000049261099 519768855 /nfs/dbraw/zinc/76/88/55/519768855.db2.gz MHAOXIZBVGDICA-NSHDSACASA-N 1 0 271.788 3.034 10 0 CGAERO CC(C)[C@@H](CCCOCC(F)(F)F)C[NH2+]C1CC1 ZINC000052972570 519792828 /nfs/dbraw/zinc/79/28/28/519792828.db2.gz OZLSGBDSMIWTFD-NSHDSACASA-N 1 0 267.335 3.370 10 0 CGAERO CCOCCC[NH2+]CCn1cc(Cl)c2ccccc21 ZINC000055310823 519896891 /nfs/dbraw/zinc/89/68/91/519896891.db2.gz GZSDXSUKHKLESG-UHFFFAOYSA-N 1 0 280.799 3.311 10 0 CGAERO CCC[NH2+]CC(C)(C)CCCOCC(F)(F)F ZINC000054638130 519908263 /nfs/dbraw/zinc/90/82/63/519908263.db2.gz DQJPUPIKBYERDG-UHFFFAOYSA-N 1 0 255.324 3.371 10 0 CGAERO CCC[NH2+]CC1(OC2CCOCC2)CCC(C)CC1 ZINC000050486134 519911235 /nfs/dbraw/zinc/91/12/35/519911235.db2.gz AZTAQHDDCHYPHC-UHFFFAOYSA-N 1 0 269.429 3.131 10 0 CGAERO CC[NH2+]C[C@H]1C[C@H]1c1ccc(F)c(Br)c1 ZINC000054590314 519982079 /nfs/dbraw/zinc/98/20/79/519982079.db2.gz AYCPCJSMRPWSOO-ZJUUUORDSA-N 1 0 272.161 3.301 10 0 CGAERO CC[NH2+][C@H](C)c1cnc(N2CCCCCC2)s1 ZINC000054900752 520181715 /nfs/dbraw/zinc/18/17/15/520181715.db2.gz VEJSIFLBUHLLOB-LLVKDONJSA-N 1 0 253.415 3.194 10 0 CGAERO CCc1ccccc1N1CC[C@H](C[NH2+]CC(C)C)C1 ZINC000053012327 521854260 /nfs/dbraw/zinc/85/42/60/521854260.db2.gz MFFWYKCZTAQRFS-OAHLLOKOSA-N 1 0 260.425 3.321 10 0 CGAERO CCc1nc(N(CC)CC)sc1C[NH2+]C(C)C ZINC000054995249 522381467 /nfs/dbraw/zinc/38/14/67/522381467.db2.gz WVAVSEMRECSFSL-UHFFFAOYSA-N 1 0 255.431 3.050 10 0 CGAERO C[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccc2ccccc2c1 ZINC000375604858 533889771 /nfs/dbraw/zinc/88/97/71/533889771.db2.gz HWMIBLNKTMAVJT-GYIHYUDTSA-N 1 0 267.372 3.383 10 0 CGAERO CC[C@@H](C[NH2+]C(C)C)Cc1ccc(OC)c(F)c1 ZINC000052973535 522544190 /nfs/dbraw/zinc/54/41/90/522544190.db2.gz ZQZARKAVEYPVOO-GFCCVEGCSA-N 1 0 253.361 3.401 10 0 CGAERO CC[C@@H]1C[NH2+][C@@H](C)CN1c1ccc(Cl)cc1F ZINC000083418384 535825033 /nfs/dbraw/zinc/82/50/33/535825033.db2.gz FQDOGTNOPBTKFK-GXSJLCMTSA-N 1 0 256.752 3.056 10 0 CGAERO CC(C)(C)OC(=O)CC[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000157807393 518784307 /nfs/dbraw/zinc/78/43/07/518784307.db2.gz FOBRTOFDYCTVNF-GFCCVEGCSA-N 1 0 296.436 3.054 10 0 CGAERO CC(C)N(C[C@H](C)C[NH2+]C(C)(C)C)CC(F)(F)F ZINC000052485208 519652554 /nfs/dbraw/zinc/65/25/54/519652554.db2.gz DQDCJGZULAQDLV-LLVKDONJSA-N 1 0 268.367 3.283 10 0 CGAERO CC(C)[NH2+]C[C@H](C)N(C)Cc1ccccc1Cl ZINC000052371892 519724638 /nfs/dbraw/zinc/72/46/38/519724638.db2.gz SQOUXPCIIYSXDR-LBPRGKRZSA-N 1 0 254.805 3.158 10 0 CGAERO CC(C)[NH2+]C[C@H](C)N(C)Cc1cccc(Br)c1 ZINC000052545094 519724760 /nfs/dbraw/zinc/72/47/60/519724760.db2.gz IOHSJLNZNCZJHX-LBPRGKRZSA-N 1 0 299.256 3.267 10 0 CGAERO CC(C)C[NH2+]CC[C@@H](C)N(C)Cc1ccsc1 ZINC000052457497 519744221 /nfs/dbraw/zinc/74/42/21/519744221.db2.gz MZGUURMKJSTQHZ-CYBMUJFWSA-N 1 0 254.443 3.204 10 0 CGAERO CC(C)C[NH2+]C[C@]1(Cc2ccccc2F)CCOC1 ZINC000054665841 519746788 /nfs/dbraw/zinc/74/67/88/519746788.db2.gz LSGVMFDJTSKKNN-MRXNPFEDSA-N 1 0 265.372 3.021 10 0 CGAERO CC(C)[C@@H]1CN[C@@H](C(C)C)C[N@@H+]1C1CCCCC1 ZINC000062624639 519804769 /nfs/dbraw/zinc/80/47/69/519804769.db2.gz FAHRBYHAKGCARK-CVEARBPZSA-N 1 0 252.446 3.274 10 0 CGAERO CCC1CCC(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000155686462 519856549 /nfs/dbraw/zinc/85/65/49/519856549.db2.gz YNTASFQDPUQYLI-UHFFFAOYSA-N 1 0 288.435 3.447 10 0 CGAERO CCC[NH2+]C1CCN([C@@H](C)c2ccsc2)CC1 ZINC000061363800 519906979 /nfs/dbraw/zinc/90/69/79/519906979.db2.gz KUFVQCSTPXHCEQ-LBPRGKRZSA-N 1 0 252.427 3.273 10 0 CGAERO CCOCC[N@H+](CC)CCCC(=O)c1ccccc1 ZINC000104200575 519908795 /nfs/dbraw/zinc/90/87/95/519908795.db2.gz SMVNQGBHSQPZCA-UHFFFAOYSA-N 1 0 263.381 3.008 10 0 CGAERO CCC[NH2+]CCC[C@H](C)n1ccc(C(F)(F)F)n1 ZINC000052592595 519913138 /nfs/dbraw/zinc/91/31/38/519913138.db2.gz TYDPUULJDQKKKO-JTQLQIEISA-N 1 0 263.307 3.243 10 0 CGAERO CCC[NH2+]C[C@@H](c1ccccc1)n1cc(Cl)cn1 ZINC000052577326 519922604 /nfs/dbraw/zinc/92/26/04/519922604.db2.gz IYOWZSPNQGUIIM-AWEZNQCLSA-N 1 0 263.772 3.126 10 0 CGAERO CCC[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000053010080 519923999 /nfs/dbraw/zinc/92/39/99/519923999.db2.gz MCTBKVVJUMIKLR-LBPRGKRZSA-N 1 0 297.240 3.275 10 0 CGAERO CCC[NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000053010173 519936504 /nfs/dbraw/zinc/93/65/04/519936504.db2.gz AXDSZSAJQFCFJZ-GFCCVEGCSA-N 1 0 252.789 3.166 10 0 CGAERO CCC[NH2+]C[C@H]1C[C@@]12CCCc1cc(OC)ccc12 ZINC000054593158 519940867 /nfs/dbraw/zinc/94/08/67/519940867.db2.gz DREIPXZAPCDNLY-PBHICJAKSA-N 1 0 259.393 3.289 10 0 CGAERO CC[NH2+]C[C@@H](OC[C@H]1CCCO1)c1ccc(Cl)cc1 ZINC000050493635 519948226 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257.381 3.185 10 0 CGAERO Cc1csc(C2CC[NH+](C[C@@H]3CCCCO3)CC2)n1 ZINC000156760121 526330621 /nfs/dbraw/zinc/33/06/21/526330621.db2.gz NOHZWKJFQUGDLP-AWEZNQCLSA-N 1 0 280.437 3.200 10 0 CGAERO Cc1csc(C2CC[NH+](C[C@H]3CCCCO3)CC2)n1 ZINC000156760272 526330841 /nfs/dbraw/zinc/33/08/41/526330841.db2.gz NOHZWKJFQUGDLP-CQSZACIVSA-N 1 0 280.437 3.200 10 0 CGAERO Cc1csc(Cn2c(N)[nH+]c3cc(Cl)ccc32)n1 ZINC000049534202 526369287 /nfs/dbraw/zinc/36/92/87/526369287.db2.gz IFQZIZFIKRHSSO-UHFFFAOYSA-N 1 0 278.768 3.085 10 0 CGAERO c1ccc(OCC[NH2+]CCSc2ccccc2)cc1 ZINC000049900299 526486374 /nfs/dbraw/zinc/48/63/74/526486374.db2.gz BCPHJTPGHHHYOW-UHFFFAOYSA-N 1 0 273.401 3.447 10 0 CGAERO Cc1nc(-c2ccco2)sc1C[NH2+]CC(C)C ZINC000054456653 526614768 /nfs/dbraw/zinc/61/47/68/526614768.db2.gz DJDVUVSDDWJFAI-UHFFFAOYSA-N 1 0 250.367 3.457 10 0 CGAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CC1(CCO)CC1 ZINC000157448704 526650072 /nfs/dbraw/zinc/65/00/72/526650072.db2.gz WIMXKBMAWWRADF-ZIAGYGMSSA-N 1 0 253.430 3.344 10 0 CGAERO C[NH2+]Cc1ccccc1NC(=O)c1ccc(F)c(C)c1 ZINC000063058084 536470849 /nfs/dbraw/zinc/47/08/49/536470849.db2.gz LLMROQNNWWMHDR-UHFFFAOYSA-N 1 0 272.323 3.106 10 0 CGAERO Cc1oc(CN2CCc3sccc3[C@H]2C)cc1C[NH3+] ZINC000052505400 526772799 /nfs/dbraw/zinc/77/27/99/526772799.db2.gz VKEXWOTXRNTJKI-SNVBAGLBSA-N 1 0 276.405 3.228 10 0 CGAERO Cc1nc(CC(C)C)nc(C)c1[C@H](C)C[NH2+]C1CC1 ZINC000054855031 526798182 /nfs/dbraw/zinc/79/81/82/526798182.db2.gz RXMFJGDDVJWUQF-LLVKDONJSA-N 1 0 261.413 3.147 10 0 CGAERO Cc1nc(CC(F)(F)F)sc1C[NH2+]C(C)C ZINC000052330786 526802779 /nfs/dbraw/zinc/80/27/79/526802779.db2.gz RIMDKSAWMUZXGK-UHFFFAOYSA-N 1 0 252.305 3.054 10 0 CGAERO Cc1occc1CN(C)c1cc(Cl)ccc1C[NH3+] ZINC000062786897 526827133 /nfs/dbraw/zinc/82/71/33/526827133.db2.gz KWDCJJQPQILRQD-UHFFFAOYSA-N 1 0 264.756 3.337 10 0 CGAERO Cc1nc(CN(C)[C@@H](C[NH2+]CC(C)C)C(C)C)cs1 ZINC000052505689 526843680 /nfs/dbraw/zinc/84/36/80/526843680.db2.gz NSKRRKYVROMUTB-HNNXBMFYSA-N 1 0 283.485 3.154 10 0 CGAERO 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289.354 3.417 10 0 CGAERO CC(=O)c1ccc(-n2ccnc2C)c(Br)c1 ZINC000061694467 623168679 /nfs/dbraw/zinc/16/86/79/623168679.db2.gz JBORJNQYVXODGH-UHFFFAOYSA-N 1 0 279.137 3.146 10 0 CGAERO COC1CC([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000230689261 623267181 /nfs/dbraw/zinc/26/71/81/623267181.db2.gz XCYMKJLQPXHTNQ-UHFFFAOYSA-N 1 0 277.261 3.112 10 0 CGAERO c1c2ccccc2oc1-c1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000063084502 623293444 /nfs/dbraw/zinc/29/34/44/623293444.db2.gz LTFMVHVBPVCUJM-NSHDSACASA-N 1 0 283.331 3.025 10 0 CGAERO CCC1CCC(c2noc(C[C@H]([NH3+])C3CC3)n2)CC1 ZINC000087939218 623326144 /nfs/dbraw/zinc/32/61/44/623326144.db2.gz FHNIZDAFOLAPNU-GDKBPFBDSA-N 1 0 263.385 3.033 10 0 CGAERO CCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000089147078 623573222 /nfs/dbraw/zinc/57/32/22/623573222.db2.gz UXJCCJYJSYFNDA-MJBXVCDLSA-N 1 0 284.444 3.458 10 0 CGAERO CC(C)OC[C@@H](O)C[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000154390379 624268765 /nfs/dbraw/zinc/26/87/65/624268765.db2.gz 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ZINC000082427396 178003077 /nfs/dbraw/zinc/00/30/77/178003077.db2.gz GNKUIRXPAXHHNK-UHFFFAOYSA-N 1 0 262.378 3.133 10 0 CGAERO CC[NH2+]Cc1sc(-c2cccnc2)nc1C(C)C ZINC000082429807 178007335 /nfs/dbraw/zinc/00/73/35/178007335.db2.gz GEKQUQNCZBFJEJ-UHFFFAOYSA-N 1 0 261.394 3.438 10 0 CGAERO CC[NH2+]Cc1sc([C@@H]2CCCO2)nc1C(C)C ZINC000082430608 178008544 /nfs/dbraw/zinc/00/85/44/178008544.db2.gz VKPHTXATKYMBOJ-JTQLQIEISA-N 1 0 254.399 3.228 10 0 CGAERO CCSc1ccc(-c2nc(C[NH3+])cs2)cc1 ZINC000082555279 178090654 /nfs/dbraw/zinc/09/06/54/178090654.db2.gz BNCLMLVWCYIOLN-UHFFFAOYSA-N 1 0 250.392 3.381 10 0 CGAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCCCc2ccccc21 ZINC000090223241 282102819 /nfs/dbraw/zinc/10/28/19/282102819.db2.gz IWHBJPZFRKPGSE-IRXDYDNUSA-N 1 0 296.418 3.479 10 0 CGAERO C[N@H+](C[C@@H]1CCC[C@@H]2CN(c3cccnc3)C[C@@H]21)C1CC1 ZINC000096081900 185091277 /nfs/dbraw/zinc/09/12/77/185091277.db2.gz PNUYYOMYUWLFAQ-HDMKZQKVSA-N 1 0 285.435 3.028 10 0 CGAERO O[C@@H](c1ccc(Cl)c2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000083140640 178341271 /nfs/dbraw/zinc/34/12/71/178341271.db2.gz IQMBUPSHXPLOKB-GJZGRUSLSA-N 1 0 261.752 3.279 10 0 CGAERO Clc1cccc([C@@H]2C[NH2+]CCN2Cc2ccccc2)c1 ZINC000337778784 214257500 /nfs/dbraw/zinc/25/75/00/214257500.db2.gz ZPXMSCLMZZTLEV-KRWDZBQOSA-N 1 0 286.806 3.487 10 0 CGAERO CC1(C)[C@@H](C[NH3+])[C@@H]1c1cccc(Br)c1 ZINC000096958900 185142641 /nfs/dbraw/zinc/14/26/41/185142641.db2.gz FKOMLLSMJVUGKP-QWRGUYRKSA-N 1 0 254.171 3.147 10 0 CGAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]CCC1OCCO1 ZINC000125494331 187187932 /nfs/dbraw/zinc/18/79/32/187187932.db2.gz YMURSDIVIZBEQG-INIZCTEOSA-N 1 0 275.392 3.053 10 0 CGAERO CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000153793414 529430891 /nfs/dbraw/zinc/43/08/91/529430891.db2.gz OTFCAKQPBYXIEJ-BRWVUGGUSA-N 1 0 261.409 3.148 10 0 CGAERO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1ccc(F)cc1 ZINC000153807763 529669709 /nfs/dbraw/zinc/66/97/09/529669709.db2.gz PEYWPFUNUBSFAU-KBMXLJTQSA-N 1 0 265.372 3.418 10 0 CGAERO CC(C)(C)[C@@H](O)C[NH2+]Cc1ccsc1C(F)(F)F ZINC000623417157 349803477 /nfs/dbraw/zinc/80/34/77/349803477.db2.gz UVMWVKDTBJWYCT-VIFPVBQESA-N 1 0 281.343 3.264 10 0 CGAERO CC(C)Oc1cccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)c1 ZINC000188406036 542247271 /nfs/dbraw/zinc/24/72/71/542247271.db2.gz ASQVYVMZIXRHCY-QGZVFWFLSA-N 1 0 299.418 3.335 10 0 CGAERO CCc1nc(C)c(C[N@H+](C[C@@H]2CCCO2)C2CCCC2)o1 ZINC000428242062 529721941 /nfs/dbraw/zinc/72/19/41/529721941.db2.gz FCGMIPJUQFZLRT-HNNXBMFYSA-N 1 0 292.423 3.469 10 0 CGAERO CC[C@H]1C[NH2+][C@H](C)CN1Cc1ccc(Cl)c(F)c1 ZINC000083518136 178551983 /nfs/dbraw/zinc/55/19/83/178551983.db2.gz UYDVDEURVNBPTH-PWSUYJOCSA-N 1 0 270.779 3.051 10 0 CGAERO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1csc2ccccc12 ZINC000295078802 199334385 /nfs/dbraw/zinc/33/43/85/199334385.db2.gz RSWITGXFRUNYKW-SMDDNHRTSA-N 1 0 261.390 3.247 10 0 CGAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1csc2ccccc12 ZINC000295078800 199334426 /nfs/dbraw/zinc/33/44/26/199334426.db2.gz RSWITGXFRUNYKW-RISCZKNCSA-N 1 0 261.390 3.247 10 0 CGAERO CCO[C@H](c1ccc(Cl)cc1)C1=[NH+]CCCCN1 ZINC000002010302 344857064 /nfs/dbraw/zinc/85/70/64/344857064.db2.gz OOABKCSOFUFBLV-CYBMUJFWSA-N 1 0 266.772 3.200 10 0 CGAERO Cc1cccc([C@@](O)(c2ccccc2)[C@@H](C)C[NH+](C)C)c1 ZINC000003642361 344859522 /nfs/dbraw/zinc/85/95/22/344859522.db2.gz QYZMKGPXRFWQKR-LPHOPBHVSA-N 1 0 283.415 3.429 10 0 CGAERO O[C@]1(c2ccccc2)C[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC000033856642 344936396 /nfs/dbraw/zinc/93/63/96/344936396.db2.gz MUPRAECAEXZYHK-HOTGVXAUSA-N 1 0 273.763 3.262 10 0 CGAERO CCC[C@@H]([NH3+])C(=O)N(C)Cc1ccc(C(C)(C)C)cc1 ZINC000037798262 344953164 /nfs/dbraw/zinc/95/31/64/344953164.db2.gz IOCFEXAPBLGCDM-OAHLLOKOSA-N 1 0 276.424 3.070 10 0 CGAERO O=C(CCC1CC[NH2+]CC1)c1ccc2c(c1)NCCCC2 ZINC000038602066 344956273 /nfs/dbraw/zinc/95/62/73/344956273.db2.gz NRGRZWNAVCNINV-UHFFFAOYSA-N 1 0 286.419 3.397 10 0 CGAERO O[C@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2Cl)C1 ZINC000037164847 344948006 /nfs/dbraw/zinc/94/80/06/344948006.db2.gz KCVNNVBLGFTAAP-RYUDHWBXSA-N 1 0 274.191 3.387 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)CCc1ccco1 ZINC000037167300 344948031 /nfs/dbraw/zinc/94/80/31/344948031.db2.gz RUCZBBPVHGUGBN-HUUCEWRRSA-N 1 0 266.429 3.167 10 0 CGAERO O[C@H]1CCC[C@H]([NH2+]Cc2cccc(Cl)c2Cl)C1 ZINC000037164125 344948240 /nfs/dbraw/zinc/94/82/40/344948240.db2.gz WVGZHUJKZFRPND-QWRGUYRKSA-N 1 0 274.191 3.387 10 0 CGAERO CS[C@@H](c1ccc(Br)s1)[C@@H](C)[NH3+] ZINC000043284164 344996753 /nfs/dbraw/zinc/99/67/53/344996753.db2.gz DSVQJQKOFQENHF-SVGQVSJJSA-N 1 0 266.229 3.262 10 0 CGAERO Cc1ccc([C@H](C)NC(=O)CC[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000043588909 345001593 /nfs/dbraw/zinc/00/15/93/345001593.db2.gz IBDVKNVHMKFQRS-JKSUJKDBSA-N 1 0 288.435 3.260 10 0 CGAERO Cc1cccc(C(C)C)c1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054289985 345131778 /nfs/dbraw/zinc/13/17/78/345131778.db2.gz TXBPNTJILYLHLW-CQSZACIVSA-N 1 0 274.408 3.447 10 0 CGAERO CCC[C@H](NC(=O)C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000054307172 345132520 /nfs/dbraw/zinc/13/25/20/345132520.db2.gz LBDCTGAFDFEMPO-HOCLYGCPSA-N 1 0 274.408 3.034 10 0 CGAERO C[NH2+][C@@H](c1occc1Br)C1CCCC1 ZINC000068982662 345369557 /nfs/dbraw/zinc/36/95/57/345369557.db2.gz AOCICAJICQMQIL-SNVBAGLBSA-N 1 0 258.159 3.493 10 0 CGAERO [NH3+][C@H]1CCCCC[C@H]1c1occc1Br ZINC000068983309 345369932 /nfs/dbraw/zinc/36/99/32/345369932.db2.gz OHCNMCUUNAKWAW-SCZZXKLOSA-N 1 0 258.159 3.417 10 0 CGAERO C[C@@H]1C[C@H](c2ccc(Br)s2)[C@H](C)[NH2+]1 ZINC000070587098 345392210 /nfs/dbraw/zinc/39/22/10/345392210.db2.gz GCOSBZNWSNWTBH-CSMHCCOUSA-N 1 0 260.200 3.365 10 0 CGAERO Cc1cc(OC(C)C)ccc1NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000070575790 345392233 /nfs/dbraw/zinc/39/22/33/345392233.db2.gz BYUCEGPLBFEVHW-KBPBESRZSA-N 1 0 290.407 3.238 10 0 CGAERO C[C@H]1C[NH2+]C2(CCCCC2)CN1Cc1ccccc1 ZINC000071359331 345402330 /nfs/dbraw/zinc/40/23/30/345402330.db2.gz MLGKMECWIUALFI-HNNXBMFYSA-N 1 0 258.409 3.183 10 0 CGAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000152320547 232209521 /nfs/dbraw/zinc/20/95/21/232209521.db2.gz NZSYMQFTHQGCRD-GXTWGEPZSA-N 1 0 298.224 3.090 10 0 CGAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000162830246 232254795 /nfs/dbraw/zinc/25/47/95/232254795.db2.gz GFSPBFYLTPSGDC-FZMZJTMJSA-N 1 0 271.763 3.120 10 0 CGAERO Cc1ccc(NC(=O)CN2CCS[C@@H](C)C2)c(Cl)c1 ZINC000171702770 232268988 /nfs/dbraw/zinc/26/89/88/232268988.db2.gz DZWLVLBFQIIJQO-NSHDSACASA-N 1 0 298.839 3.024 10 0 CGAERO CCc1ccc(Cl)c(CC)c1CC1=[NH+]CCN1 ZINC000114912604 345967426 /nfs/dbraw/zinc/96/74/26/345967426.db2.gz KWPQBDSRAFZFQZ-UHFFFAOYSA-N 1 0 250.773 3.009 10 0 CGAERO Fc1ccc([C@H]2CC[NH2+]CCN2c2ccccc2)cc1 ZINC000117618176 345984990 /nfs/dbraw/zinc/98/49/90/345984990.db2.gz CZSVGYQHNJWPRZ-QGZVFWFLSA-N 1 0 270.351 3.367 10 0 CGAERO c1ccc([C@@H]2OCC[NH2+]C[C@@H]2c2ccccc2)cc1 ZINC000117603116 345985024 /nfs/dbraw/zinc/98/50/24/345985024.db2.gz QHSHDUYLOQSFGH-SJORKVTESA-N 1 0 253.345 3.131 10 0 CGAERO CC[C@H]1CCc2sc(Br)c(C[NH3+])c21 ZINC000132827542 346074489 /nfs/dbraw/zinc/07/44/89/346074489.db2.gz HWNUNECGDIHMGH-LURJTMIESA-N 1 0 260.200 3.409 10 0 CGAERO CC[C@@H]([NH2+]C[C@H]1CN(CC)CCO1)c1ccc(Cl)cc1 ZINC000134441654 346082065 /nfs/dbraw/zinc/08/20/65/346082065.db2.gz ZDISVEWONBUTLW-JKSUJKDBSA-N 1 0 296.842 3.101 10 0 CGAERO C[C@@]1(c2ccc(Br)cc2Cl)CC[NH2+]1 ZINC000135062459 346085796 /nfs/dbraw/zinc/08/57/96/346085796.db2.gz RNQHPCYNFHFQMC-JTQLQIEISA-N 1 0 260.562 3.311 10 0 CGAERO C[NH2+]C[C@@H]1C[C@@H]1c1ccc(Cl)c(Br)c1 ZINC000137241486 346093052 /nfs/dbraw/zinc/09/30/52/346093052.db2.gz PTZDSTKOUPZSPR-DTWKUNHWSA-N 1 0 274.589 3.425 10 0 CGAERO CCCOc1ccc(C[NH2+][C@H]2CCCC[C@H]2CO)cc1 ZINC000152329806 346141247 /nfs/dbraw/zinc/14/12/47/346141247.db2.gz BVYPXLRENLJBFE-RDJZCZTQSA-N 1 0 277.408 3.116 10 0 CGAERO CCCOc1ccc(C[NH2+][C@H]2CCCC[C@@H]2CO)cc1 ZINC000152329614 346141528 /nfs/dbraw/zinc/14/15/28/346141528.db2.gz BVYPXLRENLJBFE-WBVHZDCISA-N 1 0 277.408 3.116 10 0 CGAERO C[C@@H]([NH3+])c1cc(NC(=O)OC(C)(C)C)ccc1F ZINC000141193951 346107513 /nfs/dbraw/zinc/10/75/13/346107513.db2.gz PUNOFXOSVQQFSG-MRVPVSSYSA-N 1 0 254.305 3.192 10 0 CGAERO FC[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccccc1 ZINC000143339227 346113239 /nfs/dbraw/zinc/11/32/39/346113239.db2.gz SDEMZAXQOIWPPI-IBGZPJMESA-N 1 0 298.405 3.343 10 0 CGAERO O[C@]12CCCC[C@@H]1CCC[C@@H]2[NH2+]CCc1ccccc1 ZINC000144545821 346118388 /nfs/dbraw/zinc/11/83/88/346118388.db2.gz BICKQITZHPUQQU-FGTMMUONSA-N 1 0 273.420 3.293 10 0 CGAERO COC(=O)CCCC1CC[NH+](CCc2ccccc2)CC1 ZINC000148646261 346129081 /nfs/dbraw/zinc/12/90/81/346129081.db2.gz OWVXUTMLHGVXCO-UHFFFAOYSA-N 1 0 289.419 3.284 10 0 CGAERO CC[C@@H](CC(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccc(C)cc1 ZINC000158679160 346165500 /nfs/dbraw/zinc/16/55/00/346165500.db2.gz NTXVGYIGDGFIAG-DOTOQJQBSA-N 1 0 288.435 3.041 10 0 CGAERO C[C@@H]1C[C@@H](c2ccc(Br)c(F)c2)C[NH2+]1 ZINC000161935890 346177578 /nfs/dbraw/zinc/17/75/78/346177578.db2.gz UBSORMMUWTVLAX-VXNVDRBHSA-N 1 0 258.134 3.054 10 0 CGAERO CC[C@@H]([NH2+]C)c1csc(I)c1 ZINC000168829409 346191227 /nfs/dbraw/zinc/19/12/27/346191227.db2.gz MUGDWRJFSNNEJJ-SSDOTTSWSA-N 1 0 281.162 3.023 10 0 CGAERO C[C@@H]1C[C@@H](c2ccccc2Br)[C@@H](C)[NH2+]1 ZINC000227094841 346308442 /nfs/dbraw/zinc/30/84/42/346308442.db2.gz SMTUNJJECRSOOK-FXPVBKGRSA-N 1 0 254.171 3.303 10 0 CGAERO C[C@H]1C[NH2+]CC[C@@H]1c1sccc1Br ZINC000228025287 346313211 /nfs/dbraw/zinc/31/32/11/346313211.db2.gz OLLAHCZURHTDGB-YUMQZZPRSA-N 1 0 260.200 3.224 10 0 CGAERO [NH3+][C@H]1C=C(c2occc2Br)CCCC1 ZINC000230166807 346319993 /nfs/dbraw/zinc/31/99/93/346319993.db2.gz OQTSLSKAPWWNJR-SECBINFHSA-N 1 0 256.143 3.327 10 0 CGAERO C[C@H]([NH3+])/C=C/c1ccc(Br)cc1Cl ZINC000231751157 346324014 /nfs/dbraw/zinc/32/40/14/346324014.db2.gz FZEQMXRYEMRPLO-AIYRYJHASA-N 1 0 260.562 3.463 10 0 CGAERO [NH3+]C/C=C/c1ccc(Br)c(Br)c1 ZINC000236183165 346340009 /nfs/dbraw/zinc/34/00/09/346340009.db2.gz CSJCSWNXAFDQHH-OWOJBTEDSA-N 1 0 290.986 3.184 10 0 CGAERO [NH3+]C[C@H]1C[C@H]1c1ccc(Br)c(Cl)c1 ZINC000236211753 346340044 /nfs/dbraw/zinc/34/00/44/346340044.db2.gz ARTQIIBNHPTFNX-SFYZADRCSA-N 1 0 260.562 3.165 10 0 CGAERO [NH3+][C@H]1C[C@H]1c1ccc(Br)c(Br)c1 ZINC000236320285 346340541 /nfs/dbraw/zinc/34/05/41/346340541.db2.gz KEVNOZAWJKCAHH-RCOVLWMOSA-N 1 0 290.986 3.026 10 0 CGAERO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000257353124 346399945 /nfs/dbraw/zinc/39/99/45/346399945.db2.gz PMKFHKVDGNCTBC-MELADBBJSA-N 1 0 282.428 3.151 10 0 CGAERO Cc1cc(F)ccc1NC(=[NH2+])NCc1ccccc1 ZINC000306345069 346453580 /nfs/dbraw/zinc/45/35/80/346453580.db2.gz OUITWUIYIKHQLK-UHFFFAOYSA-N 1 0 257.312 3.271 10 0 CGAERO [NH3+]CC[C@H]1CC[C@@H](c2cscc2Br)O1 ZINC000306597404 346455920 /nfs/dbraw/zinc/45/59/20/346455920.db2.gz OHSNNGKWQFKACV-XCBNKYQSSA-N 1 0 276.199 3.080 10 0 CGAERO C[C@@H]1[N@H+](Cc2ccccc2)CC[C@]12NCC[C@@H](C)S2 ZINC000306733324 346457468 /nfs/dbraw/zinc/45/74/68/346457468.db2.gz SYGUXDSCMPYFSG-IJEWVQPXSA-N 1 0 276.449 3.092 10 0 CGAERO [NH3+][C@@H]1C=C(Cc2ccsc2Br)CC1 ZINC000307041589 346459590 /nfs/dbraw/zinc/45/95/90/346459590.db2.gz LEQHIHKNELZWPN-VIFPVBQESA-N 1 0 258.184 3.101 10 0 CGAERO CC1(C)[C@H]([NH2+]C[C@H]2CCCC2(C)C)[C@H]2CCO[C@@H]21 ZINC000388841542 346571181 /nfs/dbraw/zinc/57/11/81/346571181.db2.gz HKHVIWHUGBQHGP-SYQHCUMBSA-N 1 0 251.414 3.216 10 0 CGAERO Cc1ccccc1[C@H]([NH3+])CN1CCCc2ccccc21 ZINC000019987596 136579780 /nfs/dbraw/zinc/57/97/80/136579780.db2.gz CHYPOHKEGNQGGB-QGZVFWFLSA-N 1 0 266.388 3.448 10 0 CGAERO C[N@@H+]1CC[C@]23CCCC[C@H]2c2cc(O)ccc2C[C@@H]13 ZINC000584602596 346689832 /nfs/dbraw/zinc/68/98/32/346689832.db2.gz OFKWFECOZWXSBS-GVDBMIGSSA-N 1 0 257.377 3.296 10 0 CGAERO Cc1cc(=O)[nH]c(NC(=[NH2+])Nc2ccc3ccccc3c2)n1 ZINC000584604901 346690370 /nfs/dbraw/zinc/69/03/70/346690370.db2.gz CJYAZSQAEXBKLN-UHFFFAOYSA-N 1 0 293.330 3.103 10 0 CGAERO C[N@@H+]1CC[C@H](c2ccccc2F)c2ccc(O)cc2C1 ZINC000584617111 346694637 /nfs/dbraw/zinc/69/46/37/346694637.db2.gz JBDUXWQDUOGVGK-HNNXBMFYSA-N 1 0 271.335 3.499 10 0 CGAERO COc1ccc(CC[NH2+]C[C@H]2CCc3ccccc3N2)cc1 ZINC000584630045 346698673 /nfs/dbraw/zinc/69/86/73/346698673.db2.gz GGSLANKLWATLHU-QGZVFWFLSA-N 1 0 296.414 3.254 10 0 CGAERO COC(=O)c1csc(C[NH2+][C@H]2CCc3ccccc32)c1 ZINC000602505021 347971425 /nfs/dbraw/zinc/97/14/25/347971425.db2.gz XVAQNJDNERAYOY-HNNXBMFYSA-N 1 0 287.384 3.312 10 0 CGAERO CC[C@@H](C)S[C@H](C[NH3+])C(F)(F)C(F)(F)F ZINC000616569859 348833753 /nfs/dbraw/zinc/83/37/53/348833753.db2.gz OAZLXBVYXIWHJN-PHDIDXHHSA-N 1 0 251.264 3.043 10 0 CGAERO [NH3+]CCN1c2ccccc2NC[C@H]1c1ccc(Cl)cc1 ZINC000616586781 348837185 /nfs/dbraw/zinc/83/71/85/348837185.db2.gz XGSRVRPASMZJJG-INIZCTEOSA-N 1 0 287.794 3.272 10 0 CGAERO COc1cccc([C@@H]2CCc3ccccc3N2CC[NH3+])c1 ZINC000616595614 348839043 /nfs/dbraw/zinc/83/90/43/348839043.db2.gz WKZMEIFVJHJPLZ-SFHVURJKSA-N 1 0 282.387 3.148 10 0 CGAERO CC(C)[N@@H+]1CCCOC[C@H]1c1nccc2ccccc21 ZINC000616597708 348840213 /nfs/dbraw/zinc/84/02/13/348840213.db2.gz QRHDVYHAXGHLFM-INIZCTEOSA-N 1 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CXBJGYRCSHLIAQ-AWEZNQCLSA-N 1 0 260.381 3.233 10 0 CGAERO CCCOCCO[C@@]1(C[NH2+]C(C)C)CCC[C@H](C)C1 ZINC000104240827 185941006 /nfs/dbraw/zinc/94/10/06/185941006.db2.gz RTSIDPIJSKOQKD-HOTGVXAUSA-N 1 0 271.445 3.377 10 0 CGAERO [NH3+]CCN1CCCCC[C@@H]1c1ccc2ccccc2n1 ZINC000616623799 348849789 /nfs/dbraw/zinc/84/97/89/348849789.db2.gz HQHRUBGXYPAROT-QGZVFWFLSA-N 1 0 269.392 3.111 10 0 CGAERO c1ccc(C[N@@H+]2CCCC[C@H](c3cncnc3)C2)cc1 ZINC000616630394 348852650 /nfs/dbraw/zinc/85/26/50/348852650.db2.gz WZUYUZANUIEQEZ-INIZCTEOSA-N 1 0 267.376 3.246 10 0 CGAERO CC(C)(C)[N@@H+]1CCN[C@@H](c2ccccc2Cl)C1 ZINC000616631590 348852661 /nfs/dbraw/zinc/85/26/61/348852661.db2.gz AILKHLASLPRFJL-CYBMUJFWSA-N 1 0 252.789 3.085 10 0 CGAERO c1nc([C@H]2CCCC[N@@H+](Cc3ccccc3)C2)co1 ZINC000616630251 348852698 /nfs/dbraw/zinc/85/26/98/348852698.db2.gz TZEWWPGDGBELPE-HNNXBMFYSA-N 1 0 256.349 3.444 10 0 CGAERO CC(C)(C)OC(=O)Nc1ccc([C@@H]2COCCC[NH2+]2)cc1 ZINC000616645886 348854795 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CC(C)c1ccc([C@@H](C)[NH2+][C@H]2CCCS(=O)(=O)C2)cc1 ZINC000069136252 392170782 /nfs/dbraw/zinc/17/07/82/392170782.db2.gz QKMTZRWITPGVNL-CJNGLKHVSA-N 1 0 295.448 3.038 10 0 CGAERO c1ccc2c(c1)OC[C@H]2[NH2+][C@H]1CCc2ccccc2C1 ZINC000070528797 392183927 /nfs/dbraw/zinc/18/39/27/392183927.db2.gz RPHNWJKDOOWZBZ-DOTOQJQBSA-N 1 0 265.356 3.267 10 0 CGAERO Cc1ccccc1[C@H]([NH2+]C[C@@H](C)O)c1ccccc1 ZINC000105692749 392294328 /nfs/dbraw/zinc/29/43/28/392294328.db2.gz WIOOVQNYQNGAPJ-RHSMWYFYSA-N 1 0 255.361 3.055 10 0 CGAERO CC[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccccc1 ZINC000105802423 392295293 /nfs/dbraw/zinc/29/52/93/392295293.db2.gz DKHHZNWWOAEFCS-IRXDYDNUSA-N 1 0 296.418 3.186 10 0 CGAERO C[C@H]([NH2+]CC(=O)NC(C)(C)C)c1cccc2ccccc21 ZINC000105862806 392295373 /nfs/dbraw/zinc/29/53/73/392295373.db2.gz UKLLSIKLXFDXBT-ZDUSSCGKSA-N 1 0 284.403 3.405 10 0 CGAERO C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152284982 392501339 /nfs/dbraw/zinc/50/13/39/392501339.db2.gz ZFHZTAWXHRCXLT-DYVFJYSZSA-N 1 0 286.350 3.435 10 0 CGAERO CCn1c(C)nnc1C[N@@H+]1CCCC[C@H]1CCC(C)C ZINC000158152710 392556602 /nfs/dbraw/zinc/55/66/02/392556602.db2.gz HIYDWYSPQCEQLV-HNNXBMFYSA-N 1 0 278.444 3.397 10 0 CGAERO Cc1ccc([C@@H](C)[NH2+]C2CCN(Cc3cccnc3)CC2)o1 ZINC000158193379 392558471 /nfs/dbraw/zinc/55/84/71/392558471.db2.gz FNBVLGYYTIQGHS-OAHLLOKOSA-N 1 0 299.418 3.298 10 0 CGAERO Cc1cc(N[C@H](C[NH+]2CCCC2)c2ccccc2)nnc1C ZINC000302339361 392615472 /nfs/dbraw/zinc/61/54/72/392615472.db2.gz WCDMMKDAGVHZNO-QGZVFWFLSA-N 1 0 296.418 3.342 10 0 CGAERO CN(Cc1ccccc1)c1cc(N)[nH+]cc1Br ZINC000307341597 392650275 /nfs/dbraw/zinc/65/02/75/392650275.db2.gz VEDLYQQTHDMALB-UHFFFAOYSA-N 1 0 292.180 3.063 10 0 CGAERO Nc1cc(NCc2ccccc2)c(Br)c[nH+]1 ZINC000307653972 392654032 /nfs/dbraw/zinc/65/40/32/392654032.db2.gz QEVGJBGYSMXKNF-UHFFFAOYSA-N 1 0 278.153 3.038 10 0 CGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)C1CCCCC1)CC2 ZINC000177275041 392661335 /nfs/dbraw/zinc/66/13/35/392661335.db2.gz OOBHYWQZDPWXQA-UKRRQHHQSA-N 1 0 290.455 3.275 10 0 CGAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@H](C)CC(F)F)c1C ZINC000647318754 392663247 /nfs/dbraw/zinc/66/32/47/392663247.db2.gz ZKEAILSPOWBSNH-ZJUUUORDSA-N 1 0 273.371 3.462 10 0 CGAERO CCC(C)(C)C1CCC([NH2+][C@@H]2CCC(=O)N[C@@H]2C)CC1 ZINC000392892624 392932216 /nfs/dbraw/zinc/93/22/16/392932216.db2.gz ZXMZBQBJFQKBLE-XSCHDIRWSA-N 1 0 280.456 3.238 10 0 CGAERO O=C(CCCC1CCCCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195326890 392966055 /nfs/dbraw/zinc/96/60/55/392966055.db2.gz ISFISEQICLCSTE-MRXNPFEDSA-N 1 0 278.440 3.044 10 0 CGAERO CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000248473228 393089213 /nfs/dbraw/zinc/08/92/13/393089213.db2.gz KMFLMYUNDQQYMR-NUJGCVRESA-N 1 0 288.435 3.088 10 0 CGAERO C[C@H]1CC[N@H+](Cc2cnn(C)c2)[C@H]1c1cccc(F)c1 ZINC000245410982 393039759 /nfs/dbraw/zinc/03/97/59/393039759.db2.gz UKSGDIYMMNLXCS-BLLLJJGKSA-N 1 0 273.355 3.142 10 0 CGAERO C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)c1ccc(Cl)nc1 ZINC000245638603 393044419 /nfs/dbraw/zinc/04/44/19/393044419.db2.gz WOXZAQOKPXFWGC-JJMVLAAESA-N 1 0 288.778 3.044 10 0 CGAERO C[C@H]1CC[N@H+](Cc2ccnn2C)[C@H]1c1cccc(F)c1 ZINC000245718205 393046333 /nfs/dbraw/zinc/04/63/33/393046333.db2.gz HLZNRRXZCGOSRU-BLLLJJGKSA-N 1 0 273.355 3.142 10 0 CGAERO Cc1cc(N[C@H]2CCO[C@H]2c2ccccc2)cc[nH+]1 ZINC000274334639 393285603 /nfs/dbraw/zinc/28/56/03/393285603.db2.gz GTEXFTZOVPOXAP-HOTGVXAUSA-N 1 0 254.333 3.332 10 0 CGAERO c1cnn([C@@H]2CCCC[C@H]2[NH2+]CCc2ccccc2)c1 ZINC000138756373 285559261 /nfs/dbraw/zinc/55/92/61/285559261.db2.gz ZLBYSIJCDKGCHX-IAGOWNOFSA-N 1 0 269.392 3.199 10 0 CGAERO CC(C)(C)OCCC[NH2+][C@@H]1CCc2c1cccc2O ZINC000649745589 393571121 /nfs/dbraw/zinc/57/11/21/393571121.db2.gz IAZSUWPKHFZUHF-CQSZACIVSA-N 1 0 263.381 3.174 10 0 CGAERO C[C@@H]1CN(c2ccc(Cl)c(Cl)c2)[C@@H](C)C[NH2+]1 ZINC000035823183 134805005 /nfs/dbraw/zinc/80/50/05/134805005.db2.gz RQBSJPVCBLCIHM-BDAKNGLRSA-N 1 0 259.180 3.180 10 0 CGAERO CC[C@@H]1C[NH2+][C@H](C)CN1c1ccc(C)cc1Cl ZINC000083394305 135018637 /nfs/dbraw/zinc/01/86/37/135018637.db2.gz QTYDXLPNGXXTTM-VXGBXAGGSA-N 1 0 252.789 3.225 10 0 CGAERO Cc1cc(Cl)ccc1N1C[C@@H](C)[NH2+]C[C@@H]1C(C)C ZINC000083493812 135024681 /nfs/dbraw/zinc/02/46/81/135024681.db2.gz FSCWRYHQZKWWNM-IUODEOHRSA-N 1 0 266.816 3.471 10 0 CGAERO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1c1cccc(F)c1F ZINC000083510466 135025175 /nfs/dbraw/zinc/02/51/75/135025175.db2.gz XQHSIGAOQBALBN-WCQYABFASA-N 1 0 268.351 3.178 10 0 CGAERO C[C@H]1C[NH2+]CCN1c1ccccc1Oc1ccccc1 ZINC000083510730 135025276 /nfs/dbraw/zinc/02/52/76/135025276.db2.gz KFRLRIPEDRPALK-AWEZNQCLSA-N 1 0 268.360 3.277 10 0 CGAERO CC[C@H]1CN(c2ccc(Cl)c(F)c2)[C@@H](CC)C[NH2+]1 ZINC000083518220 135026741 /nfs/dbraw/zinc/02/67/41/135026741.db2.gz YGRSPKVDTLOJMB-QWRGUYRKSA-N 1 0 270.779 3.446 10 0 CGAERO CC(C)[C@@H]1CN(c2ccc(F)c(Cl)c2)[C@H](C)C[NH2+]1 ZINC000083518046 135026831 /nfs/dbraw/zinc/02/68/31/135026831.db2.gz ILZDSYHKGJFGRD-YGRLFVJLSA-N 1 0 270.779 3.302 10 0 CGAERO CC(C)[C@H]1CN(c2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000083536386 135027130 /nfs/dbraw/zinc/02/71/30/135027130.db2.gz ULDXUVUGFGBROY-CYBMUJFWSA-N 1 0 273.207 3.428 10 0 CGAERO CC(C)CCN(CCC(C)C)C(=O)C1CCC([NH3+])CC1 ZINC000037804708 397608905 /nfs/dbraw/zinc/60/89/05/397608905.db2.gz RZFRMZUUQHAANH-UHFFFAOYSA-N 1 0 282.472 3.425 10 0 CGAERO Cc1ccccc1[C@H]1CCCN1C(=O)C1CCC([NH3+])CC1 ZINC000037817377 397609225 /nfs/dbraw/zinc/60/92/25/397609225.db2.gz QQQQXAVICBWVTG-VMBOVVBDSA-N 1 0 286.419 3.176 10 0 CGAERO CC[NH2+][C@H]1CCc2c1ccc(Br)c2F ZINC000306563391 397678289 /nfs/dbraw/zinc/67/82/89/397678289.db2.gz PGYMSMUVYYGJRI-JTQLQIEISA-N 1 0 258.134 3.185 10 0 CGAERO C[C@H]([NH2+]C(C)(C)C)c1ncc(Br)s1 ZINC000306613543 397678572 /nfs/dbraw/zinc/67/85/72/397678572.db2.gz KQTDKMBGDSYZCC-LURJTMIESA-N 1 0 263.204 3.355 10 0 CGAERO Brc1ccsc1[C@H]1[NH2+]C[C@H]1C1CC1 ZINC000307478930 397680793 /nfs/dbraw/zinc/68/07/93/397680793.db2.gz WMPXIKFHILKLNN-CBAPKCEASA-N 1 0 258.184 3.181 10 0 CGAERO C[C@H]([NH3+])c1ccc(-c2ccc(F)c(N)c2F)cc1F ZINC000675056107 543311813 /nfs/dbraw/zinc/31/18/13/543311813.db2.gz CGVAWGYVRXOMHT-ZETCQYMHSA-N 1 0 266.266 3.373 10 0 CGAERO C[C@@H]1C[C@H](C)C[N@@H+](CCOc2cncc(Cl)c2)C1 ZINC000675076260 543313606 /nfs/dbraw/zinc/31/36/06/543313606.db2.gz MVAKTTBUTTXBEA-TXEJJXNPSA-N 1 0 268.788 3.092 10 0 CGAERO CCOC(C)(C)C[NH2+]C[C@@H](C)c1ccc(OC)cc1 ZINC000186540015 285983522 /nfs/dbraw/zinc/98/35/22/285983522.db2.gz GPYGYRRQTTWNMO-CYBMUJFWSA-N 1 0 265.397 3.203 10 0 CGAERO CCO[C@@H]1C[C@H]([NH2+]CC(C)(C)C(C)C)C12CCOCC2 ZINC000188708814 286383658 /nfs/dbraw/zinc/38/36/58/286383658.db2.gz RXOYLRHYYYKRTJ-LSDHHAIUSA-N 1 0 283.456 3.232 10 0 CGAERO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(=O)NC1CCCCC1 ZINC000042259640 286893739 /nfs/dbraw/zinc/89/37/39/286893739.db2.gz UQDOCDJOHYEXSN-CABCVRRESA-N 1 0 288.435 3.483 10 0 CGAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)NC1CCCCCC1 ZINC000048694847 286909251 /nfs/dbraw/zinc/90/92/51/286909251.db2.gz HIFGCSWWICWQNH-HNNXBMFYSA-N 1 0 288.435 3.485 10 0 CGAERO C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1ccc(F)c(F)c1 ZINC000038095631 287029945 /nfs/dbraw/zinc/02/99/45/287029945.db2.gz CCOOBNFJJZUERU-PWSUYJOCSA-N 1 0 255.308 3.185 10 0 CGAERO CC(C)CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000073716782 165081453 /nfs/dbraw/zinc/08/14/53/165081453.db2.gz KYMDHUMHRQAGBO-NWDGAFQWSA-N 1 0 298.377 3.166 10 0 CGAERO CCOC(=O)CCC[NH2+][C@H](C)c1ccc(C)cc1C ZINC000081545159 165165423 /nfs/dbraw/zinc/16/54/23/165165423.db2.gz CQZRIGCSBNVUFG-CQSZACIVSA-N 1 0 263.381 3.297 10 0 CGAERO CC(C)COc1cccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089454722 165207247 /nfs/dbraw/zinc/20/72/47/165207247.db2.gz HWLFPNPFUSIMMV-CZUORRHYSA-N 1 0 290.407 3.035 10 0 CGAERO CC(C)Cc1ccc([C@H](C)NC(=O)C[C@@H]2CC[NH2+]C2)cc1 ZINC000089741932 165213807 /nfs/dbraw/zinc/21/38/07/165213807.db2.gz FFHNFBRQLFGHBT-HOCLYGCPSA-N 1 0 288.435 3.062 10 0 CGAERO CC(C)[C@H]([NH2+]C[C@]1(O)CCSC1)c1ccccc1Cl ZINC000091366823 287108006 /nfs/dbraw/zinc/10/80/06/287108006.db2.gz FMCAHZDOEHVIPY-LSDHHAIUSA-N 1 0 299.867 3.495 10 0 CGAERO OC1CC(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000091524135 287108359 /nfs/dbraw/zinc/10/83/59/287108359.db2.gz YENZHRLZUGBHMT-NKELODKYSA-N 1 0 281.399 3.331 10 0 CGAERO COCCc1nc(C)c([C@@H](C)[NH2+][C@H](C)C(C)C)s1 ZINC000092720520 165306240 /nfs/dbraw/zinc/30/62/40/165306240.db2.gz DSEWKCAXWZDADA-GHMZBOCLSA-N 1 0 270.442 3.336 10 0 CGAERO Cc1csc([C@@H]2CCC[N@H+](Cc3cncs3)C2)n1 ZINC000092788073 165313299 /nfs/dbraw/zinc/31/32/99/165313299.db2.gz ZBFKNOHYDMNHNZ-LLVKDONJSA-N 1 0 279.434 3.288 10 0 CGAERO Cc1c(C[NH2+]CC[C@H](C)c2ccccc2)cnn1C ZINC000093650267 165334277 /nfs/dbraw/zinc/33/42/77/165334277.db2.gz XHXJXVLEBMRISP-ZDUSSCGKSA-N 1 0 257.381 3.012 10 0 CGAERO C[C@@H]1C[C@H]([NH2+]CCc2cscn2)CC(C)(C)C1 ZINC000108942208 287127028 /nfs/dbraw/zinc/12/70/28/287127028.db2.gz DVBZASGACBCISE-YPMHNXCESA-N 1 0 252.427 3.490 10 0 CGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](CC)c1ccc(C)cc1)CC2 ZINC000180626139 165661167 /nfs/dbraw/zinc/66/11/67/165661167.db2.gz OUUOJFKCKYWHJU-HZPDHXFCSA-N 1 0 298.434 3.205 10 0 CGAERO C[C@@H](c1ccc(F)cc1F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246180256 287137071 /nfs/dbraw/zinc/13/70/71/287137071.db2.gz KMVYKNWPHJRFFC-JSGCOSHPSA-N 1 0 280.362 3.196 10 0 CGAERO CCCCOC[C@@H](O)C[N@@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000248644371 165778395 /nfs/dbraw/zinc/77/83/95/165778395.db2.gz FGOVTMUAYWNXRB-HOTGVXAUSA-N 1 0 295.423 3.293 10 0 CGAERO Cc1cc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2CO)cs1 ZINC000294191602 165855369 /nfs/dbraw/zinc/85/53/69/165855369.db2.gz LAXYUZPCHZMJOJ-SCRDCRAPSA-N 1 0 253.411 3.258 10 0 CGAERO NC(=[NH2+])c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000002047873 169772016 /nfs/dbraw/zinc/77/20/16/169772016.db2.gz HQWKMDKTTCPCMQ-UHFFFAOYSA-N 1 0 288.738 3.268 10 0 in-vivo CGAERO Cc1cnn(CC[NH2+][C@@H](Cc2ccc(C)cc2)C2CC2)c1 ZINC000123935380 287227247 /nfs/dbraw/zinc/22/72/47/287227247.db2.gz OALHOZFLKMEWQH-SFHVURJKSA-N 1 0 283.419 3.111 10 0 CGAERO C[C@H]1CCc2nc(-c3cccc(C[NH3+])c3)sc2C1 ZINC000011566549 170420323 /nfs/dbraw/zinc/42/03/23/170420323.db2.gz MCBLYVTWUQNFTL-JTQLQIEISA-N 1 0 258.390 3.394 10 0 CGAERO CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000019266653 170764654 /nfs/dbraw/zinc/76/46/54/170764654.db2.gz PABVBTRDJKBYQH-GDBMZVCRSA-N 1 0 290.407 3.069 10 0 CGAERO Cc1cc2ncn(Cc3cc(C[NH3+])ccc3F)c2cc1C ZINC000019282088 170772126 /nfs/dbraw/zinc/77/21/26/170772126.db2.gz YMIQTSQGUNTHLY-UHFFFAOYSA-N 1 0 283.350 3.299 10 0 CGAERO [NH3+][C@@H](COC[C@@H]1CCCCO1)C12CC3CC(CC(C3)C1)C2 ZINC000019386129 170779455 /nfs/dbraw/zinc/77/94/55/170779455.db2.gz LFRVUPXCSKHBQG-WRECPOHLSA-N 1 0 293.451 3.116 10 0 CGAERO Cc1ccc(NC(=O)c2ccc(CC[NH3+])cc2)c(C)c1 ZINC000019722362 170843782 /nfs/dbraw/zinc/84/37/82/170843782.db2.gz MPSLLAALHILLKI-UHFFFAOYSA-N 1 0 268.360 3.057 10 0 CGAERO CC[C@H](C(=O)N(C)CC[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000019843795 170892150 /nfs/dbraw/zinc/89/21/50/170892150.db2.gz ABQHOHBRZZWYFQ-IRXDYDNUSA-N 1 0 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172802812 /nfs/dbraw/zinc/80/28/12/172802812.db2.gz KDQPDIOYZDCOBP-MRVPVSSYSA-N 1 0 282.750 3.039 10 0 CGAERO Cc1ccc(-c2nc(CSCC[NH3+])cs2)cc1 ZINC000037035568 172903885 /nfs/dbraw/zinc/90/38/85/172903885.db2.gz PVUFZUZMISJQLQ-UHFFFAOYSA-N 1 0 264.419 3.310 10 0 CGAERO C[NH2+]Cc1cc(F)ccc1N(C)Cc1ccccc1 ZINC000037236157 173054389 /nfs/dbraw/zinc/05/43/89/173054389.db2.gz KMYFSCLRVZKGES-UHFFFAOYSA-N 1 0 258.340 3.182 10 0 CGAERO C[NH2+]Cc1cc(F)ccc1Oc1cccc(OC)c1 ZINC000037237577 173055409 /nfs/dbraw/zinc/05/54/09/173055409.db2.gz USBKUUBCCFGBBK-UHFFFAOYSA-N 1 0 261.296 3.346 10 0 CGAERO CC(C)[C@H]([NH3+])c1nnc2c(Cl)cc(C(F)(F)F)cn21 ZINC000037399568 173176792 /nfs/dbraw/zinc/17/67/92/173176792.db2.gz APXKBUFJGFNRLA-QMMMGPOBSA-N 1 0 292.692 3.057 10 0 CGAERO Cc1ccc2cccc(OCCC[NH2+]C3CC3)c2n1 ZINC000037429420 173199850 /nfs/dbraw/zinc/19/98/50/173199850.db2.gz PMLWYAUCYGDUQG-UHFFFAOYSA-N 1 0 256.349 3.064 10 0 CGAERO CCCn1c2ccc(F)cc2nc1[C@H]([NH3+])CCSC ZINC000037439592 173209380 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[NH3+]C[C@@H](Sc1nc2ccccc2[nH]1)c1ccccc1 ZINC000042900305 174905455 /nfs/dbraw/zinc/90/54/55/174905455.db2.gz YEUBKWIFGZQJDN-CQSZACIVSA-N 1 0 269.373 3.355 10 0 CGAERO Cc1ccc([C@H](Sc2nncs2)[C@@H](C)[NH3+])cc1 ZINC000042912060 174910579 /nfs/dbraw/zinc/91/05/79/174910579.db2.gz PRPYFMNDGLGHEG-MWLCHTKSSA-N 1 0 265.407 3.027 10 0 CGAERO C[C@H]([NH3+])[C@@H](Oc1ccccc1F)c1ccc(F)cc1 ZINC000042916209 174916441 /nfs/dbraw/zinc/91/64/41/174916441.db2.gz MDNWYIUVJHFHPN-ZUZCIYMTSA-N 1 0 263.287 3.432 10 0 CGAERO CC[C@@H]([NH3+])[C@H](Sc1nccn1C)c1ccc(C)cc1 ZINC000042942886 174918392 /nfs/dbraw/zinc/91/83/92/174918392.db2.gz UUNZYTLZNNDDGP-ZIAGYGMSSA-N 1 0 275.421 3.299 10 0 CGAERO Cc1cccc([C@H]([C@H](C)[NH3+])N(C)Cc2ccoc2)c1 ZINC000042966945 174931047 /nfs/dbraw/zinc/93/10/47/174931047.db2.gz VAXQCCSXCYSQAO-BBRMVZONSA-N 1 0 258.365 3.108 10 0 CGAERO Cc1ncsc1CCO[C@@H](C[NH3+])c1cccc(C)c1 ZINC000042968626 174932323 /nfs/dbraw/zinc/93/23/23/174932323.db2.gz ZALTVZAJQLBENA-AWEZNQCLSA-N 1 0 276.405 3.019 10 0 CGAERO Cc1cnc(S[C@H](c2cccc(F)c2)[C@@H](C)[NH3+])nc1 ZINC000042974860 174937988 /nfs/dbraw/zinc/93/79/88/174937988.db2.gz YDIFNBNDZVFGLT-MFKMUULPSA-N 1 0 277.368 3.105 10 0 CGAERO CC[C@@H]([NH3+])[C@@H](Sc1cnn(C)c1)c1cccc(F)c1 ZINC000042974876 174938105 /nfs/dbraw/zinc/93/81/05/174938105.db2.gz XUDOGCXLELOIGE-KGLIPLIRSA-N 1 0 279.384 3.130 10 0 CGAERO C[C@@H]([NH3+])[C@@H](OCc1ccccc1)c1ccccc1F ZINC000043046521 174956690 /nfs/dbraw/zinc/95/66/90/174956690.db2.gz KYBNXMYYTSXLKH-MLGOLLRUSA-N 1 0 259.324 3.431 10 0 CGAERO C[C@@H]([NH3+])Cc1ccc(OC[C@H]2CCCCO2)c(Cl)c1 ZINC000043491556 175057641 /nfs/dbraw/zinc/05/76/41/175057641.db2.gz VZGQIMZBIMCJJK-DGCLKSJQSA-N 1 0 283.799 3.178 10 0 CGAERO c1ccc2oc(SCC[C@H]3CCCC[NH2+]3)nc2c1 ZINC000043499403 175058507 /nfs/dbraw/zinc/05/85/07/175058507.db2.gz ZAUMZSARNSSBID-LLVKDONJSA-N 1 0 262.378 3.452 10 0 CGAERO [NH3+][C@H]1CCC[C@@H]1Cc1sccc1Br ZINC000043676288 175088352 /nfs/dbraw/zinc/08/83/52/175088352.db2.gz KBYLGARPXDYSDM-APPZFPTMSA-N 1 0 260.200 3.181 10 0 CGAERO COc1ccc(C)cc1[C@@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000044121886 175143346 /nfs/dbraw/zinc/14/33/46/175143346.db2.gz FADUGDIGKVAMEP-LZWOXQAQSA-N 1 0 277.408 3.300 10 0 CGAERO CC(C)CC[C@H]1CCC[N@@H+]1C[C@H](O)COC(C)(C)C ZINC000127932413 287299407 /nfs/dbraw/zinc/29/94/07/287299407.db2.gz JSPUTKRVGQDFFI-CABCVRRESA-N 1 0 271.445 3.063 10 0 CGAERO CC1(C)C[C@@H]1n1c(N)[nH+]c2cc(Br)ccc21 ZINC000045135987 175313685 /nfs/dbraw/zinc/31/36/85/175313685.db2.gz MSGNNWXUWKCFLF-JTQLQIEISA-N 1 0 280.169 3.352 10 0 CGAERO COc1ccc2c(c1)CCc1sc(C[NH2+]C(C)C)nc1-2 ZINC000045205992 175327604 /nfs/dbraw/zinc/32/76/04/175327604.db2.gz RYIXJTDYSDEVDQ-UHFFFAOYSA-N 1 0 288.416 3.415 10 0 CGAERO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC1CCCCCCC1 ZINC000055125440 175571060 /nfs/dbraw/zinc/57/10/60/175571060.db2.gz ZJCBIBJGURLUKG-UKRRQHHQSA-N 1 0 266.429 3.123 10 0 CGAERO Oc1ccc(C[NH2+]C2CCCC2)cc1Br ZINC000057901555 175603301 /nfs/dbraw/zinc/60/33/01/175603301.db2.gz VSBJTPSHTIAOTL-UHFFFAOYSA-N 1 0 270.170 3.187 10 0 CGAERO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccnn2C)c(C)c1 ZINC000071138785 176036736 /nfs/dbraw/zinc/03/67/36/176036736.db2.gz WVYHDPYXYVRGKY-AWEZNQCLSA-N 1 0 257.381 3.196 10 0 CGAERO CC[NH2+]Cc1cnn(Cc2ccccc2Cl)c1C ZINC000071194023 176075938 /nfs/dbraw/zinc/07/59/38/176075938.db2.gz BWJRSZVTXLLYFV-UHFFFAOYSA-N 1 0 263.772 3.003 10 0 CGAERO Cc1c([C@@H](C)[NH3+])cnn1Cc1cccc(Br)c1 ZINC000071194376 176076063 /nfs/dbraw/zinc/07/60/63/176076063.db2.gz MJLBKJPZYBXAPT-SECBINFHSA-N 1 0 294.196 3.022 10 0 CGAERO CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2C)c1OC ZINC000071206528 176080451 /nfs/dbraw/zinc/08/04/51/176080451.db2.gz QKPHBWQEQSHGHX-TZMCWYRMSA-N 1 0 263.381 3.372 10 0 CGAERO Clc1ccc([C@@H]2C[NH2+]C[C@@H](C3CC3)O2)c(Cl)c1 ZINC000071308621 176116068 /nfs/dbraw/zinc/11/60/68/176116068.db2.gz FGWGISFDHRSZQI-STQMWFEESA-N 1 0 272.175 3.433 10 0 CGAERO CCN([C@@H](C)c1cc2ccccc2o1)[C@@H]1CC[NH2+]C1 ZINC000071312229 176119040 /nfs/dbraw/zinc/11/90/40/176119040.db2.gz FPLUPIIDSFRBDD-GXTWGEPZSA-N 1 0 258.365 3.178 10 0 CGAERO [NH3+]Cc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000071396780 176150256 /nfs/dbraw/zinc/15/02/56/176150256.db2.gz DZOXEPZHEBCBCH-UHFFFAOYSA-N 1 0 261.328 3.269 10 0 CGAERO COC(=O)[C@](C)([NH2+]C1CCCCC1)C1CCCCC1 ZINC000071399888 176152181 /nfs/dbraw/zinc/15/21/81/176152181.db2.gz QCPGBIGFNCTKIZ-MRXNPFEDSA-N 1 0 267.413 3.421 10 0 CGAERO C[NH2+]Cc1oc2ccc(Br)cc2c1C ZINC000071453111 176176693 /nfs/dbraw/zinc/17/66/93/176176693.db2.gz CBOTVXNNJSHFFL-UHFFFAOYSA-N 1 0 254.127 3.223 10 0 CGAERO C[C@@]1(c2ccc(Br)cc2)CCC[NH2+]C1 ZINC000071575411 176202946 /nfs/dbraw/zinc/20/29/46/176202946.db2.gz OERBGXNTAXUGOR-GFCCVEGCSA-N 1 0 254.171 3.090 10 0 CGAERO C[NH2+][C@@H](CCO)c1ccc(Oc2ccccc2)cc1 ZINC000071582332 176207470 /nfs/dbraw/zinc/20/74/70/176207470.db2.gz ATJPDOXCSVAHQN-INIZCTEOSA-N 1 0 257.333 3.122 10 0 CGAERO CC[NH2+][C@@H](C(=O)c1cc(C)cc(C)c1OC)C(C)C ZINC000071595937 176219370 /nfs/dbraw/zinc/21/93/70/176219370.db2.gz OVWIUROWAFMBJT-CQSZACIVSA-N 1 0 263.381 3.129 10 0 CGAERO CC(C)[NH2+][C@H](C)[C@@H](O)c1ccc(OC(C)(C)C)cc1 ZINC000071598016 176221737 /nfs/dbraw/zinc/22/17/37/176221737.db2.gz BTVVVVBZHGBALS-IUODEOHRSA-N 1 0 265.397 3.284 10 0 CGAERO CC[NH2+][C@@H](C(=O)c1ccc(OC)cc1Cl)C(C)C ZINC000071601145 176227512 /nfs/dbraw/zinc/22/75/12/176227512.db2.gz MLPBFOZIKLUUDR-CYBMUJFWSA-N 1 0 269.772 3.165 10 0 CGAERO CC[NH2+][C@H](CC)C(=O)c1cc(Cl)cc(C)c1OC ZINC000071601082 176227733 /nfs/dbraw/zinc/22/77/33/176227733.db2.gz CAORCTJFGWTDBE-GFCCVEGCSA-N 1 0 269.772 3.228 10 0 CGAERO COc1cc(Cl)c([C@H](O)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000071646290 176239832 /nfs/dbraw/zinc/23/98/32/176239832.db2.gz LVWGOJYXLCWLMI-AMIZOPFISA-N 1 0 290.190 3.035 10 0 CGAERO [NH3+]C[C@@H](c1ccccc1Br)C1CCC1 ZINC000076657899 177047049 /nfs/dbraw/zinc/04/70/49/177047049.db2.gz IGWYBMLXQXZHEC-LLVKDONJSA-N 1 0 254.171 3.292 10 0 CGAERO CC[C@@H](CCC[NH3+])C(=O)Nc1cccc(Cl)c1 ZINC000076658966 177047593 /nfs/dbraw/zinc/04/75/93/177047593.db2.gz YXKXHKYJUZHIMO-JTQLQIEISA-N 1 0 254.761 3.044 10 0 CGAERO [NH3+]CC[C@H](CCc1ccccc1F)c1ccncc1 ZINC000076666307 177051086 /nfs/dbraw/zinc/05/10/86/177051086.db2.gz VPPQDCFWAYKNFP-ZDUSSCGKSA-N 1 0 258.340 3.286 10 0 CGAERO CC(C)CN(CC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000076670057 177053227 /nfs/dbraw/zinc/05/32/27/177053227.db2.gz IVAPTLSOMNQHRF-UHFFFAOYSA-N 1 0 260.303 3.127 10 0 CGAERO COc1cccc(CC[C@H](C[NH3+])c2cccs2)c1 ZINC000076672976 177054837 /nfs/dbraw/zinc/05/48/37/177054837.db2.gz OSLUDLZXBYVJDK-CYBMUJFWSA-N 1 0 261.390 3.432 10 0 CGAERO Cc1cccc(NC(=O)[C@H](CC[NH3+])CC(C)C)c1C ZINC000076675547 177055962 /nfs/dbraw/zinc/05/59/62/177055962.db2.gz LJDIWDGERDTWSJ-CQSZACIVSA-N 1 0 262.397 3.253 10 0 CGAERO CC[C@@H](CC[NH3+])C(=O)Nc1c(C)cccc1C(C)C ZINC000076675586 177056003 /nfs/dbraw/zinc/05/60/03/177056003.db2.gz OMHPTCHVZOBLNM-ZDUSSCGKSA-N 1 0 262.397 3.432 10 0 CGAERO Cc1ccc(NC(=O)C[C@H](C[NH3+])CC(C)C)cc1C ZINC000076675702 177056010 /nfs/dbraw/zinc/05/60/10/177056010.db2.gz CKMPZDFIWQIMGH-CQSZACIVSA-N 1 0 262.397 3.253 10 0 CGAERO CC[C@@H](CC[NH3+])C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000076675602 177056125 /nfs/dbraw/zinc/05/61/25/177056125.db2.gz JCNVVUIVRPVXAC-LBPRGKRZSA-N 1 0 262.397 3.298 10 0 CGAERO [NH3+]CC[C@@H](COc1ccc(F)cc1)c1cccs1 ZINC000076681271 177058772 /nfs/dbraw/zinc/05/87/72/177058772.db2.gz PVPCEJIKCWPCOH-NSHDSACASA-N 1 0 265.353 3.399 10 0 CGAERO COc1ccc([C@@H](CC[NH3+])C(C)(C)C)c(OC)c1C ZINC000076681786 177058947 /nfs/dbraw/zinc/05/89/47/177058947.db2.gz HMVVMARTQIEQBQ-CYBMUJFWSA-N 1 0 265.397 3.491 10 0 CGAERO CC[C@H](C[NH3+])CCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000076715617 177069141 /nfs/dbraw/zinc/06/91/41/177069141.db2.gz CULVKAZJCPSGFT-VIFPVBQESA-N 1 0 272.751 3.183 10 0 CGAERO CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)C(C)C ZINC000078585390 177356421 /nfs/dbraw/zinc/35/64/21/177356421.db2.gz LPMADJFKZSRBJJ-QWHCGFSZSA-N 1 0 278.396 3.046 10 0 CGAERO CCCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000119347229 416499988 /nfs/dbraw/zinc/49/99/88/416499988.db2.gz POVWBIDYHFCGBE-NEPJUHHUSA-N 1 0 298.377 3.310 10 0 CGAERO Cc1cc(C(C)C)nc(NC[C@@H]([NH3+])c2ccccc2)n1 ZINC000122558392 416505731 /nfs/dbraw/zinc/50/57/31/416505731.db2.gz NVTFDWBJOGWPSC-CQSZACIVSA-N 1 0 270.380 3.020 10 0 CGAERO C[C@@H]([NH2+]C1CC(CO)C1)c1ccc(C(C)(C)C)cc1 ZINC000658352225 418946459 /nfs/dbraw/zinc/94/64/59/418946459.db2.gz VFAYMCFPUXUAPY-VEAWUBTESA-N 1 0 261.409 3.406 10 0 CGAERO OCC1CC([NH2+][C@H](c2cccs2)C2CCCC2)C1 ZINC000658352869 418946830 /nfs/dbraw/zinc/94/68/30/418946830.db2.gz BKRAKQWVUNTQEG-HGMXIMQMSA-N 1 0 265.422 3.340 10 0 CGAERO C[C@@H]1CC(C[NH2+][C@@H]2CC[C@@H](C)SC2)C[C@@H](C)O1 ZINC000655764352 419090136 /nfs/dbraw/zinc/09/01/36/419090136.db2.gz ZIYBFDOPBXUEPT-HKUMRIAESA-N 1 0 257.443 3.064 10 0 CGAERO CC(C)=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000660465452 419148544 /nfs/dbraw/zinc/14/85/44/419148544.db2.gz RNPTXJFOLKRWKA-OAGGEKHMSA-N 1 0 251.414 3.358 10 0 CGAERO Cc1nc(C[NH2+]C2CCC(C(F)(F)F)CC2)[nH]c1C ZINC000657304203 419246247 /nfs/dbraw/zinc/24/62/47/419246247.db2.gz MATJSRSMLFVYEP-UHFFFAOYSA-N 1 0 275.318 3.237 10 0 CGAERO CC[C@H]1C[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)CO1 ZINC000657303848 419246870 /nfs/dbraw/zinc/24/68/70/419246870.db2.gz HJTUIPYXSAGSLQ-QQFIATSDSA-N 1 0 265.319 3.265 10 0 CGAERO O[C@H]1CCC[C@H]([NH2+]C2CCC(C3CCC3)CC2)C1 ZINC000657325038 419251237 /nfs/dbraw/zinc/25/12/37/419251237.db2.gz FPAPFMPHZFKYGN-CKUJCDMFSA-N 1 0 251.414 3.238 10 0 CGAERO CCn1c(C)nnc1C[NH2+][C@H]1CCCC12CCCCC2 ZINC000661126248 419232791 /nfs/dbraw/zinc/23/27/91/419232791.db2.gz AJMUGAYULMPLHN-AWEZNQCLSA-N 1 0 276.428 3.199 10 0 CGAERO COCc1nc(C[NH2+]CC2C[C@H](C)C[C@@H](C)C2)cs1 ZINC000657590497 419311564 /nfs/dbraw/zinc/31/15/64/419311564.db2.gz ZRWPJXPIVWWCDQ-VXGBXAGGSA-N 1 0 282.453 3.451 10 0 CGAERO C[C@@H]([NH2+][C@@H](C)c1cncc(Br)c1)[C@H]1CCCO1 ZINC000657833049 419379454 /nfs/dbraw/zinc/37/94/54/419379454.db2.gz DAPHEKQRFIOPLE-OPQQBVKSSA-N 1 0 299.212 3.062 10 0 CGAERO COc1cccc(F)c1C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000088079878 260227766 /nfs/dbraw/zinc/22/77/66/260227766.db2.gz XXJCRAGQIFSPEW-SNVBAGLBSA-N 1 0 288.322 3.106 10 0 CGAERO C[C@H](COCc1ccccc1)N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000390565812 262219098 /nfs/dbraw/zinc/21/90/98/262219098.db2.gz PLHLCVAPGYBSAY-CCKFTAQKSA-N 1 0 296.414 3.326 10 0 CGAERO CCC[C@H](CCO)C[NH2+]Cc1ccnc2ccccc12 ZINC000231384926 287642922 /nfs/dbraw/zinc/64/29/22/287642922.db2.gz FNTCKAONSWLXLU-CQSZACIVSA-N 1 0 272.392 3.123 10 0 CGAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccs1 ZINC000035206923 270027436 /nfs/dbraw/zinc/02/74/36/270027436.db2.gz QLUPQSNGOTZICS-GHMZBOCLSA-N 1 0 268.426 3.092 10 0 CGAERO CCCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000035206898 270027530 /nfs/dbraw/zinc/02/75/30/270027530.db2.gz SMWJGPXRDWANKK-RYUDHWBXSA-N 1 0 268.426 3.094 10 0 CGAERO C[C@@H]([NH2+]Cc1csnn1)C12CC3CC(CC(C3)C1)C2 ZINC000036901823 270028259 /nfs/dbraw/zinc/02/82/59/270028259.db2.gz HDEPJFCGZWHGDT-QFGHMXTESA-N 1 0 277.437 3.233 10 0 CGAERO Cc1cccc(Oc2ccccc2NC(=O)C[C@@H](C)[NH3+])c1 ZINC000040854932 270030149 /nfs/dbraw/zinc/03/01/49/270030149.db2.gz HKHBSLVCIUGKFU-CYBMUJFWSA-N 1 0 284.359 3.463 10 0 CGAERO CCOC(=O)CC[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC000044288307 270035035 /nfs/dbraw/zinc/03/50/35/270035035.db2.gz AHFKJHNJNQRCSU-AWEZNQCLSA-N 1 0 277.408 3.489 10 0 CGAERO CC(C)(C)NC(=O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000105863039 270047927 /nfs/dbraw/zinc/04/79/27/270047927.db2.gz RFJRJHITALBUEB-HNNXBMFYSA-N 1 0 294.826 3.295 10 0 CGAERO [NH3+][C@@H](CF)c1ccc(Cl)cc1Br ZINC000238573827 265367787 /nfs/dbraw/zinc/36/77/87/265367787.db2.gz MUNXAVVUGRLZQA-QMMMGPOBSA-N 1 0 252.514 3.072 10 0 CGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCOCC(F)F ZINC000230417085 270089033 /nfs/dbraw/zinc/08/90/33/270089033.db2.gz JMNDLZFMPMMRMY-AGIUHOORSA-N 1 0 263.372 3.319 10 0 CGAERO Cc1c(C[NH2+]CC(C2CCC2)C2CCC2)cnn1C ZINC000527736700 270133346 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C[C@@H](c1cccc(O)c1)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032515 274277469 /nfs/dbraw/zinc/27/74/69/274277469.db2.gz NOVLNCHDYZERFJ-LBPRGKRZSA-N 1 0 268.360 3.094 10 0 CGAERO CCC[C@H]([NH2+][C@H]1Cc2ccccc2[C@H]1O)c1cccnc1 ZINC000248500071 276045626 /nfs/dbraw/zinc/04/56/26/276045626.db2.gz NCHJLZVSSRMMMN-OKZBNKHCSA-N 1 0 282.387 3.171 10 0 CGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)C1)CC2 ZINC000245541725 276066818 /nfs/dbraw/zinc/06/68/18/276066818.db2.gz ORXVKQWNDDCLOZ-KFWWJZLASA-N 1 0 290.455 3.132 10 0 CGAERO CCN1CCC[C@@H]([NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC000040502050 276167666 /nfs/dbraw/zinc/16/76/66/276167666.db2.gz PLSGFCIDXCMJBF-MRXNPFEDSA-N 1 0 260.425 3.186 10 0 CGAERO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1c(C)nn(C)c1OC ZINC000093740823 276278507 /nfs/dbraw/zinc/27/85/07/276278507.db2.gz IDPXPSPUIQPYEX-SWLSCSKDSA-N 1 0 279.428 3.138 10 0 CGAERO CCc1ccc([C@@H]([NH2+][C@@H]2CCc3ncnn3C2)C(C)C)cc1 ZINC000180166995 276670457 /nfs/dbraw/zinc/67/04/57/276670457.db2.gz DHQTUMBWLOIKPB-AEFFLSMTSA-N 1 0 298.434 3.142 10 0 CGAERO CN1C(=O)C[C@@H]([NH2+]C2CCCCCC2)c2ccccc21 ZINC000037218392 277012153 /nfs/dbraw/zinc/01/21/53/277012153.db2.gz HKRKZPKVSRXMDG-OAHLLOKOSA-N 1 0 272.392 3.407 10 0 CGAERO CN1c2ccccc2[C@H]([NH2+]CC2(C)CCCC2)CC1=O ZINC000111618874 277218619 /nfs/dbraw/zinc/21/86/19/277218619.db2.gz BISIKPCBGBBCMW-CQSZACIVSA-N 1 0 272.392 3.264 10 0 CGAERO COc1cccc([C@H](C)[NH2+][C@@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000246843410 278021969 /nfs/dbraw/zinc/02/19/69/278021969.db2.gz CGFBMWRLTOABBR-GRDNDAEWSA-N 1 0 276.424 3.075 10 0 CGAERO CC/C=C/C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000395126267 288006083 /nfs/dbraw/zinc/00/60/83/288006083.db2.gz DLHCVZZVYOHFHR-PSKZRQQASA-N 1 0 282.428 3.189 10 0 CGAERO COc1ccsc1[C@H](C)[NH2+][C@H]1Cc2ccccc2[C@@H]1O ZINC000186167604 278071198 /nfs/dbraw/zinc/07/11/98/278071198.db2.gz KPSSDYUZDMGDMP-XEGUGMAKSA-N 1 0 289.400 3.066 10 0 CGAERO C[C@@H]1[NH2+]CCC[C@H]1N[C@H]1CCSc2ccc(F)cc21 ZINC000396566865 288013931 /nfs/dbraw/zinc/01/39/31/288013931.db2.gz MHWPXCKTWHWYSO-GDLCADMTSA-N 1 0 280.412 3.093 10 0 CGAERO C[C@H](N[C@@H]1CCC[NH2+][C@H]1C)c1cccc(Br)c1 ZINC000396636411 288014689 /nfs/dbraw/zinc/01/46/89/288014689.db2.gz NRVNHCUWBFBPGG-COPLHBTASA-N 1 0 297.240 3.240 10 0 CGAERO C[C@@H]1NCCC[C@H]1[NH2+][C@H]1CCCCC12CCCC2 ZINC000396662456 288015066 /nfs/dbraw/zinc/01/50/66/288015066.db2.gz OHVHFVVOQFCKGV-ZNMIVQPWSA-N 1 0 250.430 3.220 10 0 CGAERO Cc1cc([C@H](C)N[C@H]2CCC[NH2+][C@H]2C)c(C)s1 ZINC000396666851 288015096 /nfs/dbraw/zinc/01/50/96/288015096.db2.gz PDJHXAPMSARHFX-MJVIPROJSA-N 1 0 252.427 3.156 10 0 CGAERO CC[C@H]([NH2+][C@@H](C)c1nnc(C)s1)[C@H]1CC1(C)C ZINC000397710661 288028036 /nfs/dbraw/zinc/02/80/36/288028036.db2.gz SOKXAVJSOZQXPL-GDPRMGEGSA-N 1 0 253.415 3.322 10 0 CGAERO CC(C)(C)OC(=O)N1CCC[C@@H]([NH3+])[C@@H]1c1ccccc1 ZINC000038387287 278389887 /nfs/dbraw/zinc/38/98/87/278389887.db2.gz GQOAORJRRSLOQA-KGLIPLIRSA-N 1 0 276.380 3.086 10 0 CGAERO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1cccc2ccccc21 ZINC000399216987 288050272 /nfs/dbraw/zinc/05/02/72/288050272.db2.gz ULDQOVGDSUVFNZ-XJKSGUPXSA-N 1 0 255.361 3.185 10 0 CGAERO CC[C@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1)C(C)C ZINC000049126822 288081680 /nfs/dbraw/zinc/08/16/80/288081680.db2.gz XPPOMQNLULGCQK-DOMZBBRYSA-N 1 0 283.437 3.175 10 0 CGAERO Cc1cc(C[NH+]2[C@@H](C)COC[C@@H]2C)c2ccccc2n1 ZINC000077369043 280488063 /nfs/dbraw/zinc/48/80/63/280488063.db2.gz JEAAJZCYKSIDET-KBPBESRZSA-N 1 0 270.376 3.152 10 0 CGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Cl)cc1 ZINC000174988859 281191999 /nfs/dbraw/zinc/19/19/99/281191999.db2.gz UGWQKUBWFNBACY-LSDHHAIUSA-N 1 0 292.810 3.039 10 0 CGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1CCCCCC1 ZINC000174986383 288308332 /nfs/dbraw/zinc/30/83/32/288308332.db2.gz GZBLZSXUDWZEPI-JKSUJKDBSA-N 1 0 278.440 3.042 10 0 CGAERO CC[C@]([NH2+]C1CCCCC1)(C(N)=O)c1ccc(C)cc1 ZINC000037971126 288422530 /nfs/dbraw/zinc/42/25/30/288422530.db2.gz XGBNCNXIJXFIDV-QGZVFWFLSA-N 1 0 274.408 3.008 10 0 CGAERO C[C@H](Cn1cccn1)[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000128958957 289753881 /nfs/dbraw/zinc/75/38/81/289753881.db2.gz VUOONFYQQFJZFU-UKRRQHHQSA-N 1 0 285.391 3.164 10 0 CGAERO C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CC(F)(F)F)CC(C)(C)C1 ZINC000358376014 297285704 /nfs/dbraw/zinc/28/57/04/297285704.db2.gz RDERZTRWIBQUHW-GMTAPVOTSA-N 1 0 267.335 3.104 10 0 CGAERO CCC[C@@H](C(=O)Nc1nnc(C(CC)CC)s1)[NH+](C)C ZINC000161712834 321872077 /nfs/dbraw/zinc/87/20/77/321872077.db2.gz RBKXJXRTLAOMLV-NSHDSACASA-N 1 0 298.456 3.111 10 0 CGAERO COc1ccc(C[NH+](C)C)cc1N[C@H](C)[C@@H]1C[C@H]1C ZINC000321994843 321961515 /nfs/dbraw/zinc/96/15/15/321961515.db2.gz FQDYKXGXUPLYBZ-YRGRVCCFSA-N 1 0 262.397 3.213 10 0 CGAERO CCc1cc2c(ncnc2NCCC[NH2+]C(C)C)s1 ZINC000563611499 322004079 /nfs/dbraw/zinc/00/40/79/322004079.db2.gz LUMJJHDZNUCYRO-UHFFFAOYSA-N 1 0 278.425 3.054 10 0 CGAERO C[C@@H](Nc1ccc(-c2cnco2)cc1)[C@H]1CCC[NH2+]C1 ZINC000565231762 322068037 /nfs/dbraw/zinc/06/80/37/322068037.db2.gz GLSVGDQYPCQAAU-OCCSQVGLSA-N 1 0 271.364 3.142 10 0 CGAERO CC[C@@H](C)N(Cc1ccccc1)C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000567663767 322172681 /nfs/dbraw/zinc/17/26/81/322172681.db2.gz FXYMNADZELGMEK-BFYDXBDKSA-N 1 0 288.435 3.202 10 0 CGAERO Cc1cccc2nc(C3CC[NH+](CC(C)(C)O)CC3)oc21 ZINC000189801680 328523124 /nfs/dbraw/zinc/52/31/24/328523124.db2.gz INTPRENLTMULNS-UHFFFAOYSA-N 1 0 288.391 3.087 10 0 CGAERO Brc1ccccc1[C@@H]1C[NH2+]CC12CCC2 ZINC000536950402 330382242 /nfs/dbraw/zinc/38/22/42/330382242.db2.gz HLGAEECBBFWVDR-NSHDSACASA-N 1 0 266.182 3.306 10 0 CGAERO CC[C@@H]1C[NH2+]C[C@@H]1c1ccccc1Br ZINC000536952553 330382594 /nfs/dbraw/zinc/38/25/94/330382594.db2.gz DXLUSFKAIDCGDP-KOLCDFICSA-N 1 0 254.171 3.162 10 0 CGAERO CCC(CC)[C@@H](O)C[NH2+]Cc1ccnc2ccccc12 ZINC000225818125 333241163 /nfs/dbraw/zinc/24/11/63/333241163.db2.gz UQIVKIHGMCYCLM-KRWDZBQOSA-N 1 0 272.392 3.122 10 0 CGAERO CNC(=O)C(C)(C)C[NH2+][C@@H](c1ccccc1Cl)C(C)C ZINC000183219939 335880137 /nfs/dbraw/zinc/88/01/37/335880137.db2.gz YIKYRYVGVAHHNQ-CQSZACIVSA-N 1 0 296.842 3.399 10 0 CGAERO CC(C)CC[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)C1CC1 ZINC000381012919 336044114 /nfs/dbraw/zinc/04/41/14/336044114.db2.gz SSVVBQATCSLYJG-PMPSAXMXSA-N 1 0 253.430 3.342 10 0 CGAERO CCn1c(C)nnc1CN(Cc1ccco1)C1CCCC1 ZINC000195089370 336044861 /nfs/dbraw/zinc/04/48/61/336044861.db2.gz GZZFSJYTHAATDJ-UHFFFAOYSA-N 1 0 288.395 3.144 10 0 CGAERO CSCC1CCC([NH2+][C@H]2CCCC[C@H]2CO)CC1 ZINC000385743075 336155702 /nfs/dbraw/zinc/15/57/02/336155702.db2.gz WGFRMEZWLGBVGR-SHWKFHJASA-N 1 0 271.470 3.049 10 0 CGAERO CCC[NH2+]Cc1sc(N2CCCC[C@@H]2C)nc1C ZINC000054995286 519974965 /nfs/dbraw/zinc/97/49/65/519974965.db2.gz NQUWUXQRWIPPNX-NSHDSACASA-N 1 0 267.442 3.330 10 0 CGAERO CC[NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000054791349 520009708 /nfs/dbraw/zinc/00/97/08/520009708.db2.gz QFMUGMZFBZSTDW-UHFFFAOYSA-N 1 0 292.180 3.016 10 0 CGAERO CC[NH2+][C@@H](CC)c1nnc(-c2cccc(C)c2C)o1 ZINC000061512849 520083765 /nfs/dbraw/zinc/08/37/65/520083765.db2.gz MEALZOQGGZOGET-ZDUSSCGKSA-N 1 0 259.353 3.414 10 0 CGAERO CC[NH2+][C@H](CCCOCC(F)(F)F)C(C)(C)C ZINC000049311505 520185641 /nfs/dbraw/zinc/18/56/41/520185641.db2.gz CFXBXZVYGGITOZ-SNVBAGLBSA-N 1 0 255.324 3.370 10 0 CGAERO CCN(C[C@H]1CCCC[C@@H]1[NH2+]C)c1ccccc1F ZINC000053859025 521264730 /nfs/dbraw/zinc/26/47/30/521264730.db2.gz IQBSRNBIEOCRPM-HIFRSBDPSA-N 1 0 264.388 3.430 10 0 CGAERO C[NH2+][C@@H](Cc1csc(C)n1)c1ccc(F)c(F)c1 ZINC000055295025 522361321 /nfs/dbraw/zinc/36/13/21/522361321.db2.gz CJGBIZBDSHKXOK-ZDUSSCGKSA-N 1 0 268.332 3.233 10 0 CGAERO C[NH2+][C@H]1CCC[C@@H]1Cc1ccc(OC)c(Br)c1 ZINC000049597080 522499086 /nfs/dbraw/zinc/49/90/86/522499086.db2.gz ZSEOJCHBTWQWAF-YPMHNXCESA-N 1 0 298.224 3.388 10 0 CGAERO C([NH2+]C1CC1)[C@]1(CC2CCOCC2)C[C@H]2CC[C@@H]1C2 ZINC000054639143 518397598 /nfs/dbraw/zinc/39/75/98/518397598.db2.gz HACNEOBXFKUOIP-UXLLHSPISA-N 1 0 263.425 3.362 10 0 CGAERO CC(C)(C)NC(=O)C[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000104700748 518733850 /nfs/dbraw/zinc/73/38/50/518733850.db2.gz RIYJWRIZCZCNDV-INIZCTEOSA-N 1 0 274.408 3.032 10 0 CGAERO CC(C)C[C@@H]1C[NH2+][C@@H](CC(C)C)CN1CC(F)(F)F ZINC000062671186 519274114 /nfs/dbraw/zinc/27/41/14/519274114.db2.gz MWWFLNXJLZGIHL-QWHCGFSZSA-N 1 0 280.378 3.283 10 0 CGAERO CC(C)C[C@@H]1C[NH2+]CCN1Cc1cccc(Cl)c1 ZINC000062663523 519274137 /nfs/dbraw/zinc/27/41/37/519274137.db2.gz AQFVVJRTJAXJGA-OAHLLOKOSA-N 1 0 266.816 3.160 10 0 CGAERO CC(C)C[C@H]1CSC(NCCc2ccsc2)=[NH+]1 ZINC000049185321 519417406 /nfs/dbraw/zinc/41/74/06/519417406.db2.gz DWZSSRZINBSBMR-LBPRGKRZSA-N 1 0 268.451 3.398 10 0 CGAERO CC(C)[NH2+]C[C@@H]1CCCN1Cc1c(F)cccc1Cl ZINC000053649099 519723372 /nfs/dbraw/zinc/72/33/72/519723372.db2.gz PHYUWVRIQOJYTH-LBPRGKRZSA-N 1 0 284.806 3.442 10 0 CGAERO CC(C)[NH2+]C[C@@H]1CC[C@@H](COC2CCCCCC2)O1 ZINC000052671471 519723837 /nfs/dbraw/zinc/72/38/37/519723837.db2.gz SMAQBJSTDXISNT-HOTGVXAUSA-N 1 0 269.429 3.271 10 0 CGAERO CC(C)[NH2+]C[C@@H]1C[C@@H]1c1ccc(OC(F)F)cc1 ZINC000054594350 519724358 /nfs/dbraw/zinc/72/43/58/519724358.db2.gz UMMRBFYNWLLQIH-WCQYABFASA-N 1 0 255.308 3.390 10 0 CGAERO CC(C)[NH2+]C[C@H](OCC1CC1)c1ccccc1F ZINC000050485472 519724834 /nfs/dbraw/zinc/72/48/34/519724834.db2.gz NKOWHCXGBHIUJZ-HNNXBMFYSA-N 1 0 251.345 3.291 10 0 CGAERO CC(C)[C@@H](C)N(C)c1ccc(Cl)cc1C(N)=[NH2+] ZINC000052860054 519791272 /nfs/dbraw/zinc/79/12/72/519791272.db2.gz KRTBQDVCUOZFFY-SECBINFHSA-N 1 0 253.777 3.105 10 0 CGAERO CC(C)[C@@H]1CN(Cc2ccc(Cl)cc2)[C@@H](C)C[NH2+]1 ZINC000068694724 519804707 /nfs/dbraw/zinc/80/47/07/519804707.db2.gz CBIAVNJKKNYAAP-WFASDCNBSA-N 1 0 266.816 3.158 10 0 CGAERO CC(C)[C@H](CN(C)C)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000049196562 519814831 /nfs/dbraw/zinc/81/48/31/519814831.db2.gz LVICSQDBMPCSJV-WFASDCNBSA-N 1 0 252.377 3.063 10 0 CGAERO CCCC1CC[NH+]([C@]2(CN)CCC[C@H](C)C2)CC1 ZINC000050893301 519903412 /nfs/dbraw/zinc/90/34/12/519903412.db2.gz CIVUOKMTVOZGDE-GOEBONIOSA-N 1 0 252.446 3.406 10 0 CGAERO CC[NH2+]C(C)(C)C(=O)N(C)[C@H](C)c1ccccc1Cl ZINC000061294941 519903501 /nfs/dbraw/zinc/90/35/01/519903501.db2.gz ZRYLFQRLUSHGRW-LLVKDONJSA-N 1 0 282.815 3.248 10 0 CGAERO CC[NH2+]CC[C@@H](C)N(Cc1ccsc1)C1CC1 ZINC000052542170 519928261 /nfs/dbraw/zinc/92/82/61/519928261.db2.gz HWDHUAJBRJZTHZ-GFCCVEGCSA-N 1 0 252.427 3.101 10 0 CGAERO CC[NH2+]C[C@H](OC[C@H]1CCCO1)c1ccc(Cl)cc1 ZINC000050493633 519974558 /nfs/dbraw/zinc/97/45/58/519974558.db2.gz JWNAIMLPADLCEM-CABCVRRESA-N 1 0 283.799 3.186 10 0 CGAERO CC[NH2+]Cc1cnc(N2CCCC[C@@H]2CC)s1 ZINC000054902487 520015248 /nfs/dbraw/zinc/01/52/48/520015248.db2.gz ZXWRXBKWQDWHKJ-NSHDSACASA-N 1 0 253.415 3.022 10 0 CGAERO CCC[NH2+][C@H]1CCC[C@H]1OCc1ccc(OC)cc1 ZINC000050503370 520094135 /nfs/dbraw/zinc/09/41/35/520094135.db2.gz HSZXFTOGVVWBHO-JKSUJKDBSA-N 1 0 263.381 3.133 10 0 CGAERO CCC[NH2+][C@H]1CC[C@@H](CC)C[C@@H]1Cc1cnn(C)c1 ZINC000050540939 520096572 /nfs/dbraw/zinc/09/65/72/520096572.db2.gz DQLBHNZUSFQTBT-BMFZPTHFSA-N 1 0 263.429 3.157 10 0 CGAERO CC[NH2+][C@@H]1CCCC[C@H]1CCOCC(F)(F)F ZINC000049311574 520117430 /nfs/dbraw/zinc/11/74/30/520117430.db2.gz VISZRHXHKKEFPM-WDEREUQCSA-N 1 0 253.308 3.124 10 0 CGAERO CC[NH2+][C@H](c1cccnc1)C1(c2ccccc2)CC1 ZINC000062781406 520211291 /nfs/dbraw/zinc/21/12/91/520211291.db2.gz IBYMWDUMOUXXON-MRXNPFEDSA-N 1 0 252.361 3.464 10 0 CGAERO CC[NH2+][C@H]1CCCCc2cc3c(cc21)OCCCO3 ZINC000054742465 520214696 /nfs/dbraw/zinc/21/46/96/520214696.db2.gz OETDXJOMKVUZJG-AWEZNQCLSA-N 1 0 261.365 3.225 10 0 CGAERO CCC[C@@H](C(=O)Nc1ccc(-c2cnco2)cc1)[NH+](C)C ZINC000094019241 520597282 /nfs/dbraw/zinc/59/72/82/520597282.db2.gz DVYFDXZOULLHAE-AWEZNQCLSA-N 1 0 287.363 3.010 10 0 CGAERO CCC[C@@H]([NH2+][C@H](C)CC(=O)OC)c1cccs1 ZINC000049544360 520790267 /nfs/dbraw/zinc/79/02/67/520790267.db2.gz IWXXDKOPJIRTND-GHMZBOCLSA-N 1 0 255.383 3.131 10 0 CGAERO CCOC(=O)C[C@@H](C)C[C@@H]([NH3+])c1ccc(C)s1 ZINC000061829433 520820598 /nfs/dbraw/zinc/82/05/98/520820598.db2.gz MXVIHGHNGUVKKJ-GXSJLCMTSA-N 1 0 255.383 3.036 10 0 CGAERO CCC[C@H](c1cccs1)N1CC[C@H]([NH2+]CC)C1 ZINC000049545605 521197367 /nfs/dbraw/zinc/19/73/67/521197367.db2.gz OZAOMIIYLISMDQ-QWHCGFSZSA-N 1 0 252.427 3.273 10 0 CGAERO CCC(CC)(C[NH2+]C)CN(C)c1cccc(OC)c1 ZINC000051252051 521440426 /nfs/dbraw/zinc/44/04/26/521440426.db2.gz CJZNXWNRBXJUMP-UHFFFAOYSA-N 1 0 264.413 3.157 10 0 CGAERO CCN(c1ncc(C[NH2+]CC(C)C)s1)C(C)C ZINC000054902432 521507964 /nfs/dbraw/zinc/50/79/64/521507964.db2.gz PWYDWNHJFVLZAK-UHFFFAOYSA-N 1 0 255.431 3.123 10 0 CGAERO CCOc1ccccc1[C@H](C[NH3+])Nc1ccc(F)cc1 ZINC000057570497 521589223 /nfs/dbraw/zinc/58/92/23/521589223.db2.gz PYEPOUHAXKXZCT-HNNXBMFYSA-N 1 0 274.339 3.336 10 0 CGAERO C[NH2+]C[C@@H](Cc1cscn1)Cc1cccc(Cl)c1 ZINC000052977640 522034589 /nfs/dbraw/zinc/03/45/89/522034589.db2.gz XMUHZAVILYMTQE-GFCCVEGCSA-N 1 0 280.824 3.417 10 0 CGAERO C[NH2+]Cc1ccc(OCCC(C)(C)C)c(OC)c1 ZINC000049254005 522122036 /nfs/dbraw/zinc/12/20/36/522122036.db2.gz NUSYELUNXFCWPF-UHFFFAOYSA-N 1 0 251.370 3.230 10 0 CGAERO C[NH2+]Cc1csc(C2(c3ccccc3)CCC2)n1 ZINC000062782028 522148224 /nfs/dbraw/zinc/14/82/24/522148224.db2.gz JYXVOSSSFCDOGA-UHFFFAOYSA-N 1 0 258.390 3.333 10 0 CGAERO C[NH2+]Cc1sc(-c2cc(F)c(F)c(F)c2)nc1C ZINC000052330244 522162887 /nfs/dbraw/zinc/16/28/87/522162887.db2.gz CCAFFMVRFIHITH-UHFFFAOYSA-N 1 0 272.295 3.255 10 0 CGAERO CN(C)c1ccc(NCC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000052205573 522237044 /nfs/dbraw/zinc/23/70/44/522237044.db2.gz XDOGLWBNMLZVNA-MRXNPFEDSA-N 1 0 261.413 3.039 10 0 CGAERO C[NH2+][C@H](CCc1ccccc1)Cc1nc(C)cs1 ZINC000055267991 522466165 /nfs/dbraw/zinc/46/61/65/522466165.db2.gz SYFUMLBUZFLUQX-CQSZACIVSA-N 1 0 260.406 3.215 10 0 CGAERO C[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)[C@@H](C)C1 ZINC000049712502 522504292 /nfs/dbraw/zinc/50/42/92/522504292.db2.gz XOLACBZGNNAEPR-UWVGGRQHSA-N 1 0 256.752 3.056 10 0 CGAERO CC[C@@H]([NH3+])[C@H](Sc1nnc(C)o1)c1sccc1C ZINC000051037961 522653643 /nfs/dbraw/zinc/65/36/43/522653643.db2.gz AFBOVHKBCRUPSB-KOLCDFICSA-N 1 0 283.422 3.319 10 0 CGAERO CC[C@H]([NH2+][C@H]1CCCCC[C@@H]1O)c1cccs1 ZINC000049530307 522750197 /nfs/dbraw/zinc/75/01/97/522750197.db2.gz MZAOOVITHZFLGA-AVGNSLFASA-N 1 0 253.411 3.482 10 0 CGAERO CC[C@H]([NH2+][C@H]1CN(C(C)C)C[C@@H]1C)c1ccc(OC)cc1 ZINC000157729036 522759836 /nfs/dbraw/zinc/75/98/36/522759836.db2.gz RBTJBNGCYBMVEG-WBAXXEDZSA-N 1 0 290.451 3.465 10 0 CGAERO CC[C@H](c1ccccc1)[NH+]1CCC(n2cncn2)CC1 ZINC000156624623 522944177 /nfs/dbraw/zinc/94/41/77/522944177.db2.gz GULYYPAWSASRND-MRXNPFEDSA-N 1 0 270.380 3.066 10 0 CGAERO CCn1cc([C@@H]([NH2+]C)c2ccc(Cl)cc2F)cn1 ZINC000062786264 523464648 /nfs/dbraw/zinc/46/46/48/523464648.db2.gz QTBYVPNDEORMQA-CYBMUJFWSA-N 1 0 267.735 3.004 10 0 CGAERO CC[C@@]1(CN2CCCc3cc(C)ccc32)CC[NH2+]C1 ZINC000062910982 523735772 /nfs/dbraw/zinc/73/57/72/523735772.db2.gz UARZLBKMIHWUHG-QGZVFWFLSA-N 1 0 258.409 3.137 10 0 CGAERO CC[C@H](C)N(C)c1ncc(C[NH2+]CC(C)C)s1 ZINC000054902721 523925014 /nfs/dbraw/zinc/92/50/14/523925014.db2.gz GAUYYWDODZNMHQ-NSHDSACASA-N 1 0 255.431 3.123 10 0 CGAERO COc1ccc(CC[NH3+])c(OCCC(C)(C)C)c1 ZINC000049256246 523942552 /nfs/dbraw/zinc/94/25/52/523942552.db2.gz BNTFWXLCNSOZHX-UHFFFAOYSA-N 1 0 251.370 3.011 10 0 CGAERO COc1ccc(CO[C@@]2(C[NH3+])CCC[C@H](C)C2)cc1 ZINC000050504742 524120349 /nfs/dbraw/zinc/12/03/49/524120349.db2.gz NMAOFTPPNAAADV-BBRMVZONSA-N 1 0 263.381 3.119 10 0 CGAERO Cc1ccc(C)c(NC(=O)c2ccc3c(c2)C[NH2+]C3)c1 ZINC000156643217 524159099 /nfs/dbraw/zinc/15/90/99/524159099.db2.gz VZZRKFASCAALMN-UHFFFAOYSA-N 1 0 266.344 3.159 10 0 CGAERO C[C@H](C[NH3+])c1nc2cc(Br)ccc2s1 ZINC000054334446 524311157 /nfs/dbraw/zinc/31/11/57/524311157.db2.gz PRWWEABSSQIRJO-ZCFIWIBFSA-N 1 0 271.183 3.121 10 0 CGAERO C[C@@H]1CCC[C@@H](S[C@@H](C[NH3+])c2ccncc2)C1 ZINC000054690520 524320038 /nfs/dbraw/zinc/32/00/38/524320038.db2.gz JXTIOZMVGSKZEY-BNOWGMLFSA-N 1 0 250.411 3.393 10 0 CGAERO Cc1ccc(C[N@@H+]2CCCC[C@H](CO)C2)c(Cl)c1 ZINC000364827570 524447115 /nfs/dbraw/zinc/44/71/15/524447115.db2.gz ARPDZVZHXUYMDX-ZDUSSCGKSA-N 1 0 267.800 3.243 10 0 CGAERO C[C@@H](CCCC[NH3+])Nc1ncc(Cl)cc1Cl ZINC000309433484 524456002 /nfs/dbraw/zinc/45/60/02/524456002.db2.gz JXPZIPBULZIRBK-QMMMGPOBSA-N 1 0 262.184 3.318 10 0 CGAERO C[C@@H](CC[NH+](C)C)Nc1nc2cc(F)ccc2s1 ZINC000049559132 524482063 /nfs/dbraw/zinc/48/20/63/524482063.db2.gz VBEMQQLOZJSXJM-VIFPVBQESA-N 1 0 267.373 3.188 10 0 CGAERO C[C@@H](C[NH+]1CCCCC1)Nc1ccc(Cl)cc1N ZINC000049500910 524606836 /nfs/dbraw/zinc/60/68/36/524606836.db2.gz WCGMNDQENPWNJT-NSHDSACASA-N 1 0 267.804 3.209 10 0 CGAERO Cc1cccc(NCCc2nc3cc(F)ccc3[nH]2)[nH+]1 ZINC000157852098 524677517 /nfs/dbraw/zinc/67/75/17/524677517.db2.gz SLZSBYVYEVDVIK-UHFFFAOYSA-N 1 0 270.311 3.060 10 0 CGAERO O=C1Nc2ccccc2[C@@H]1CC[NH2+][C@H]1CCC12CCCC2 ZINC000189158882 534804086 /nfs/dbraw/zinc/80/40/86/534804086.db2.gz FCMZVMZVBWOMMK-HOCLYGCPSA-N 1 0 284.403 3.425 10 0 CGAERO Cc1ccc(Cl)cc1N1CC(C)(C)[NH2+]C[C@@H]1C ZINC000058451240 524731134 /nfs/dbraw/zinc/73/11/34/524731134.db2.gz JZHCFGYSRKNBMQ-NSHDSACASA-N 1 0 252.789 3.225 10 0 CGAERO Cc1ccc(F)c([C@H]([NH3+])c2ccc(F)cc2F)c1 ZINC000052981779 524835207 /nfs/dbraw/zinc/83/52/07/524835207.db2.gz JHANVDANEOXIGG-CQSZACIVSA-N 1 0 251.251 3.460 10 0 CGAERO COc1ccc(OC)c([C@@H]2CC[NH2+][C@@H]2CC(C)C)c1 ZINC000054929127 524896065 /nfs/dbraw/zinc/89/60/65/524896065.db2.gz FMKLNJHBBNJZSC-DZGCQCFKSA-N 1 0 263.381 3.195 10 0 CGAERO C[C@@H]1C[N@@H+](C2CCC(C(C)(C)C)CC2)[C@@H](C)CN1 ZINC000062624608 524921654 /nfs/dbraw/zinc/92/16/54/524921654.db2.gz IZLQLZQIRIVORL-DNDYEEKYSA-N 1 0 252.446 3.274 10 0 CGAERO C[C@@H]1C[C@@H](C)CCN1c1cc(Cl)ccc1C[NH3+] ZINC000062787033 525200148 /nfs/dbraw/zinc/20/01/48/525200148.db2.gz MLFOJRKMFJXFPJ-WDEREUQCSA-N 1 0 252.789 3.424 10 0 CGAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000156201387 525415085 /nfs/dbraw/zinc/41/50/85/525415085.db2.gz XEIHPBWECVWYET-XHSDSOJGSA-N 1 0 288.435 3.435 10 0 CGAERO COc1ccc([C@](C)([NH3+])c2ccccc2C)cc1F ZINC000055262026 525444928 /nfs/dbraw/zinc/44/49/28/525444928.db2.gz SFABSFXOKYNPOR-INIZCTEOSA-N 1 0 259.324 3.365 10 0 CGAERO COc1ccc2c(ccn2CCC[NH2+]CC(C)C)c1 ZINC000053527577 525615594 /nfs/dbraw/zinc/61/55/94/525615594.db2.gz WPOWCEAZVVEOEZ-UHFFFAOYSA-N 1 0 260.381 3.286 10 0 CGAERO C[C@@H](Nc1cc(F)c(F)c(F)c1)C1CC[NH+](C)CC1 ZINC000061115747 525699259 /nfs/dbraw/zinc/69/92/59/525699259.db2.gz XOOBMVKPRBQEBP-SECBINFHSA-N 1 0 272.314 3.246 10 0 CGAERO CSCc1nc(C)c([C@H](C)C[NH2+]C(C)(C)C)c(C)n1 ZINC000054855081 525765430 /nfs/dbraw/zinc/76/54/30/525765430.db2.gz PECLQVZZLJZZAQ-SNVBAGLBSA-N 1 0 281.469 3.448 10 0 CGAERO C[C@@H](c1ccsc1)n1c(N)[nH+]c2ccc(F)cc21 ZINC000061365110 526156946 /nfs/dbraw/zinc/15/69/46/526156946.db2.gz FLBFOLYDZAGESB-QMMMGPOBSA-N 1 0 261.325 3.428 10 0 CGAERO Cc1nn(CCC[NH2+]C(C)(C)C)c(C)c1Br ZINC000050594624 526280603 /nfs/dbraw/zinc/28/06/03/526280603.db2.gz ZDBXQFNIVDCXAF-UHFFFAOYSA-N 1 0 288.233 3.041 10 0 CGAERO Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1[C@H](C)[NH3+] ZINC000054716414 526292126 /nfs/dbraw/zinc/29/21/26/526292126.db2.gz AITCWAJDMIUQBN-QMMMGPOBSA-N 1 0 281.762 3.360 10 0 CGAERO Cc1nc(C)c([C@H](C)NCCC[NH2+]C(C)(C)C)s1 ZINC000049534981 526753325 /nfs/dbraw/zinc/75/33/25/526753325.db2.gz SLBVXSSLHKGETF-JTQLQIEISA-N 1 0 269.458 3.189 10 0 CGAERO Cc1nc(C)c([C@@H](C)[NH2+][C@H](C)c2cn(C)nc2C)s1 ZINC000087409316 526747882 /nfs/dbraw/zinc/74/78/82/526747882.db2.gz XJMFABZJJIIKMN-PSASIEDQSA-N 1 0 278.425 3.214 10 0 CGAERO Cc1nc(C)c([C@H](C)[NH2+]Cc2ccccc2N)s1 ZINC000049538760 526755355 /nfs/dbraw/zinc/75/53/55/526755355.db2.gz ZHGUNYYHHYHBCV-VIFPVBQESA-N 1 0 261.394 3.193 10 0 CGAERO Cc1nc(Cc2cccnc2)sc1C[NH2+]C(C)(C)C ZINC000053133022 526929193 /nfs/dbraw/zinc/92/91/93/526929193.db2.gz FYJAORYVPHBGOY-UHFFFAOYSA-N 1 0 275.421 3.325 10 0 CGAERO Cc1[nH+]c2cc(N)ccc2n1Cc1cccc(C)c1 ZINC000052853126 527123960 /nfs/dbraw/zinc/12/39/60/527123960.db2.gz GCVLJPHLYYTLPP-UHFFFAOYSA-N 1 0 251.333 3.284 10 0 CGAERO [NH3+]C[C@@H](CCOCC(F)(F)F)Cc1cccc(Cl)c1 ZINC000052948033 527201681 /nfs/dbraw/zinc/20/16/81/527201681.db2.gz ANKYYPHUPVPKKM-NSHDSACASA-N 1 0 295.732 3.426 10 0 CGAERO [NH3+]Cc1sc2ccccc2c1COC[C@@H]1CCCO1 ZINC000052626146 527269128 /nfs/dbraw/zinc/26/91/28/527269128.db2.gz KYKPKXBSYZZEJM-NSHDSACASA-N 1 0 277.389 3.056 10 0 CGAERO [NH3+][C@@]1(c2cncnc2)CCCC[C@@H]1C1CCCCC1 ZINC000052887638 527379033 /nfs/dbraw/zinc/37/90/33/527379033.db2.gz CQNIFDBBCNWAOV-HZPDHXFCSA-N 1 0 259.397 3.401 10 0 CGAERO [NH3+][C@H](Cc1cc(F)cc(F)c1)c1cccc(F)c1 ZINC000049348896 527388481 /nfs/dbraw/zinc/38/84/81/527388481.db2.gz ACWQYZTZBNCTEQ-CQSZACIVSA-N 1 0 251.251 3.346 10 0 CGAERO Cc1nccn1CC[NH2+][C@@H](c1cccs1)C(C)C ZINC000049556124 527431678 /nfs/dbraw/zinc/43/16/78/527431678.db2.gz RRYQBOUQYTVLDY-CQSZACIVSA-N 1 0 263.410 3.240 10 0 CGAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(Cl)s1 ZINC000082992138 527668319 /nfs/dbraw/zinc/66/83/19/527668319.db2.gz IWAUJAIMVIFTLH-MWLCHTKSSA-N 1 0 259.802 3.042 10 0 CGAERO FC(F)(F)c1ccc2oc(C3CC[NH2+]CC3)nc2c1 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284.835 3.226 10 0 CGAERO CC[NH2+]Cc1cnn(-c2cccc(F)c2)c1C(F)(F)F ZINC000082661938 178150347 /nfs/dbraw/zinc/15/03/47/178150347.db2.gz OYVHBVMWHQLPGO-UHFFFAOYSA-N 1 0 287.260 3.140 10 0 CGAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cc(Br)ncc1F ZINC000273831575 192325470 /nfs/dbraw/zinc/32/54/70/192325470.db2.gz GATGMKDZOQQSSB-MHYGZLNHSA-N 1 0 273.149 3.042 10 0 CGAERO Cc1ccc(NC(=O)[C@@H]([NH3+])c2ccc(Cl)cc2)cc1 ZINC000096032547 185068620 /nfs/dbraw/zinc/06/86/20/185068620.db2.gz QHXHVKDPJGLKDE-AWEZNQCLSA-N 1 0 274.751 3.287 10 0 CGAERO C[C@@H]([NH3+])c1cc2c(cc1Br)CCCC2 ZINC000082726328 178242576 /nfs/dbraw/zinc/24/25/76/178242576.db2.gz WVBBRJHJJRRUNV-MRVPVSSYSA-N 1 0 254.171 3.348 10 0 CGAERO CCn1nc(C)c([C@@H](C)[NH2+]CC[C@H]2CC2(F)F)c1C ZINC000621768179 349582775 /nfs/dbraw/zinc/58/27/75/349582775.db2.gz LRZDEOJQHMJHBD-SKDRFNHKSA-N 1 0 271.355 3.216 10 0 CGAERO Cc1cc(Cl)ccc1-c1nc(CC[NH3+])cs1 ZINC000083394086 178402552 /nfs/dbraw/zinc/40/25/52/178402552.db2.gz XBWCDSYWKCZDRF-UHFFFAOYSA-N 1 0 252.770 3.273 10 0 CGAERO CC[C@H](C(=O)N[C@@H](C)c1ccc(C(C)C)cc1)[NH+](C)C ZINC000178198540 529612496 /nfs/dbraw/zinc/61/24/96/529612496.db2.gz CLSPCIYIFLPJIJ-XJKSGUPXSA-N 1 0 276.424 3.327 10 0 CGAERO Clc1ccc2c(C[NH2+]C[C@@H]3CCCO3)c[nH]c2c1 ZINC000083480351 178497568 /nfs/dbraw/zinc/49/75/68/178497568.db2.gz PSODSIAIGAPRMK-LBPRGKRZSA-N 1 0 264.756 3.090 10 0 CGAERO CC(C)(C)[C@@H](O)C[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623417154 349803546 /nfs/dbraw/zinc/80/35/46/349803546.db2.gz UUQWXUZOXVGYOV-VIFPVBQESA-N 1 0 281.343 3.264 10 0 CGAERO Cc1nn(-c2ccccc2)c2c1C[NH2+][C@H](C)c1cccn1-2 ZINC000049454577 282242086 /nfs/dbraw/zinc/24/20/86/282242086.db2.gz ZNTIKRFTRYPTCD-CYBMUJFWSA-N 1 0 278.359 3.136 10 0 CGAERO c1cc2c(cccc2OCC[NH2+]Cc2ccccc2)[nH]1 ZINC000001903142 344856660 /nfs/dbraw/zinc/85/66/60/344856660.db2.gz ZEHDEZWEFBOGNZ-UHFFFAOYSA-N 1 0 266.344 3.337 10 0 in-vivo CGAERO C[C@H](C[NH3+])C1(O)c2ccccc2C=Cc2ccccc21 ZINC000001995377 344857118 /nfs/dbraw/zinc/85/71/18/344857118.db2.gz DWEAWVGMNZKLCB-CYBMUJFWSA-N 1 0 265.356 3.001 10 0 CGAERO CC(C)[C@](CC[NH+](C)C)(C(N)=O)c1ccc2ccccc2c1 ZINC000003642931 344859514 /nfs/dbraw/zinc/85/95/14/344859514.db2.gz ZLNAZRUEULSTFP-IBGZPJMESA-N 1 0 298.430 3.171 10 0 CGAERO Cc1cccc([C@@](O)(c2ccccc2)[C@H](C)C[NH+](C)C)c1 ZINC000003642364 344859590 /nfs/dbraw/zinc/85/95/90/344859590.db2.gz QYZMKGPXRFWQKR-APWZRJJASA-N 1 0 283.415 3.429 10 0 CGAERO COc1ccc2c(c1O)[C@@]13CCCC[C@H]1[C@@H](C2)[N@@H+](C)CC3 ZINC000005599908 344862307 /nfs/dbraw/zinc/86/23/07/344862307.db2.gz FOMOAEUYWZDTNS-PMUMKWKESA-N 1 0 287.403 3.089 10 0 CGAERO CCO[C@@H](c1ccc(Cl)c(Cl)c1)C1=[NH+]CCCN1 ZINC000005860834 344862946 /nfs/dbraw/zinc/86/29/46/344862946.db2.gz KWYDMASCDYCJRP-LBPRGKRZSA-N 1 0 287.190 3.463 10 0 CGAERO CCO[C@H](c1cccc(Cl)c1)C1=[NH+]CC(C)(C)CN1 ZINC000005861344 344863032 /nfs/dbraw/zinc/86/30/32/344863032.db2.gz BJZGGPBBOQDMIC-CYBMUJFWSA-N 1 0 280.799 3.446 10 0 CGAERO c1ccc(CSc2cncc(N3CCC[NH2+]CC3)c2)cc1 ZINC000013704056 344880835 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C[C@H]([NH2+]Cc1coc(-c2ccc(F)cc2)n1)[C@H]1CCCO1 ZINC000183133339 542228483 /nfs/dbraw/zinc/22/84/83/542228483.db2.gz CVGUFDHHPWJEDU-XHDPSFHLSA-N 1 0 290.338 3.138 10 0 CGAERO CCCCc1nc(C[NH2+][C@H](C)[C@H]2CCCO2)cs1 ZINC000183106154 542229249 /nfs/dbraw/zinc/22/92/49/542229249.db2.gz ADTWBFYNKRRLAT-DGCLKSJQSA-N 1 0 268.426 3.143 10 0 CGAERO [NH3+][C@@H](c1ncsc1Br)C1CCCC1 ZINC000575505126 377916605 /nfs/dbraw/zinc/91/66/05/377916605.db2.gz TYSWZRKKWUQYSG-SSDOTTSWSA-N 1 0 261.188 3.096 10 0 CGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000183731843 542232776 /nfs/dbraw/zinc/23/27/76/542232776.db2.gz QVHWQMJLQVQSQE-OQPBUACISA-N 1 0 297.189 3.072 10 0 CGAERO CC(C)c1ccc([C@H](C)Nc2cc[nH+]cc2C(N)=O)cc1 ZINC000184043155 542233863 /nfs/dbraw/zinc/23/38/63/542233863.db2.gz WZZUVOUVQPESTE-LBPRGKRZSA-N 1 0 283.375 3.477 10 0 CGAERO CCC(=O)Nc1ccccc1SCCC[NH+](C)C ZINC000584648521 378396246 /nfs/dbraw/zinc/39/62/46/378396246.db2.gz LWAKOXCDCDXNCK-UHFFFAOYSA-N 1 0 266.410 3.079 10 0 CGAERO CCCCC1CCC(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000638885470 378947639 /nfs/dbraw/zinc/94/76/39/378947639.db2.gz IGQVBDPNZXHBEN-LMPOIIKSSA-N 1 0 280.456 3.036 10 0 CGAERO C[C@@H]([NH2+]CC(C)(C)C(F)(F)F)c1nccs1 ZINC000381453176 379867828 /nfs/dbraw/zinc/86/78/28/379867828.db2.gz IFTXMDFWNCMIOL-SSDOTTSWSA-N 1 0 252.305 3.382 10 0 CGAERO C[C@@H](N[C@H](C)[C@H]1CCC[NH2+]1)c1ccccc1Br ZINC000400339574 379949603 /nfs/dbraw/zinc/94/96/03/379949603.db2.gz IIYCJFDMJZELAK-JTNHKYCSSA-N 1 0 297.240 3.240 10 0 CGAERO COCc1nc(C[NH2+]CC(C)(C)C(C)(C)C)cs1 ZINC000644890919 380539724 /nfs/dbraw/zinc/53/97/24/380539724.db2.gz SJYGPVWUEIDONY-UHFFFAOYSA-N 1 0 270.442 3.451 10 0 CGAERO COCc1nc(C[NH2+]C(C)(C)C(C)(C)C)cs1 ZINC000644893259 380540633 /nfs/dbraw/zinc/54/06/33/380540633.db2.gz DYOBCNPRMSQIRT-UHFFFAOYSA-N 1 0 256.415 3.204 10 0 CGAERO CCCn1nc(C)c(-c2ccc(C[C@@H](C)[NH3+])cc2)c1C ZINC000233413583 542307168 /nfs/dbraw/zinc/30/71/68/542307168.db2.gz WOEBHALGJGFAMY-GFCCVEGCSA-N 1 0 271.408 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ZINC000070528745 392183875 /nfs/dbraw/zinc/18/38/75/392183875.db2.gz YYXGWVMCQOWRGK-JKSUJKDBSA-N 1 0 251.329 3.397 10 0 CGAERO Cc1ccsc1C[N@H+]1C[C@H]2CCCCN2C[C@@H]1C ZINC000094885328 392242938 /nfs/dbraw/zinc/24/29/38/392242938.db2.gz YIKFUDILQCIHAS-UONOGXRCSA-N 1 0 264.438 3.115 10 0 CGAERO Cc1ccccc1[C@@H]([NH2+]C[C@H](C)O)c1ccccc1 ZINC000105692757 392293737 /nfs/dbraw/zinc/29/37/37/392293737.db2.gz WIOOVQNYQNGAPJ-YOEHRIQHSA-N 1 0 255.361 3.055 10 0 CGAERO Cc1cnn([C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000105899910 392295967 /nfs/dbraw/zinc/29/59/67/392295967.db2.gz MGZPFBOSNUJSGJ-INIZCTEOSA-N 1 0 255.365 3.029 10 0 CGAERO CCO[C@H]1C[C@H]([N@H+](C)CCCCOC)C12CCCC2 ZINC000121168718 392410095 /nfs/dbraw/zinc/41/00/95/392410095.db2.gz LDGIJRXSIJKHDR-GJZGRUSLSA-N 1 0 269.429 3.083 10 0 CGAERO CC(C)[NH+]1CCC(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000158897588 392578819 /nfs/dbraw/zinc/57/88/19/392578819.db2.gz KAZUMRWCWDHHMA-SJORKVTESA-N 1 0 292.467 3.192 10 0 CGAERO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2CO)C1 ZINC000300521423 392583491 /nfs/dbraw/zinc/58/34/91/392583491.db2.gz PJQWGOOSHWCRHZ-FXUDXRNXSA-N 1 0 253.430 3.342 10 0 CGAERO CC1(C)C[C@H]1c1csc(Br)c1C[NH3+] ZINC000307163519 392647748 /nfs/dbraw/zinc/64/77/48/392647748.db2.gz IUUHPNKHBALTMF-QMMMGPOBSA-N 1 0 260.200 3.483 10 0 CGAERO Cc1ccc(F)c([C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000307158226 392647908 /nfs/dbraw/zinc/64/79/08/392647908.db2.gz RXQYXZPGXXXFNB-SFHVURJKSA-N 1 0 285.362 3.228 10 0 CGAERO CCn1nc(C)c([C@@H](C)[NH2+]C[C@@H](C)CC(F)F)c1C ZINC000647318753 392663287 /nfs/dbraw/zinc/66/32/87/392663287.db2.gz ZKEAILSPOWBSNH-VHSXEESVSA-N 1 0 273.371 3.462 10 0 CGAERO COC(=O)c1ccc(CN[C@H](C)c2ccc(C)o2)c(F)c1 ZINC000182582346 392747738 /nfs/dbraw/zinc/74/77/38/392747738.db2.gz LDNDFWFPQAKLDP-LLVKDONJSA-N 1 0 291.322 3.365 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1nc2ccccc2n1C ZINC000647348026 392698744 /nfs/dbraw/zinc/69/87/44/392698744.db2.gz BMMMQSNHSDJTNS-IGQOVBAYSA-N 1 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QECPXZBZMMMROQ-AWEZNQCLSA-N 1 0 281.469 3.005 10 0 CGAERO COc1ccc([C@@H](C)[NH2+]Cc2cc(C)ns2)cc1OC ZINC000404439414 392964958 /nfs/dbraw/zinc/96/49/58/392964958.db2.gz FWKJPCSEFYCPRC-LLVKDONJSA-N 1 0 292.404 3.320 10 0 CGAERO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1nc2oc(C)c(C)c2c(N)n1 ZINC000407950461 392969212 /nfs/dbraw/zinc/96/92/12/392969212.db2.gz HKOUOJGAZYQDRT-BXKDBHETSA-N 1 0 288.395 3.042 10 0 CGAERO Cc1ccc([C@H](C)[NH2+][C@H]2CN(C(C)C)C[C@H]2C)s1 ZINC000247021459 393068908 /nfs/dbraw/zinc/06/89/08/393068908.db2.gz LTNBIUSTUQCZPD-XBFCOCLRSA-N 1 0 266.454 3.436 10 0 CGAERO COCc1nc(C[NH2+]C[C@@H]2CC3CCC2CC3)cs1 ZINC000647224930 393396200 /nfs/dbraw/zinc/39/62/00/393396200.db2.gz BBSIWAFABJIKTJ-BPCQOVAHSA-N 1 0 280.437 3.205 10 0 CGAERO C[C@@H](NC(=O)CCCC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000070203157 572617200 /nfs/dbraw/zinc/61/72/00/572617200.db2.gz QSFPGBXZTKRTKZ-SECBINFHSA-N 1 0 289.206 3.300 10 0 CGAERO CC(C)[C@@H]([NH2+]Cc1cnn(C(C)C)c1)C1(CO)CCCC1 ZINC000453623222 394261325 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/nfs/dbraw/zinc/31/36/00/165313600.db2.gz ZVQGMERYYINRCW-UHFFFAOYSA-N 1 0 262.378 3.424 10 0 CGAERO CCCOc1ccc([C@@H](C)[NH2+]C2COC2)cc1OCCC ZINC000094710096 165391235 /nfs/dbraw/zinc/39/12/35/165391235.db2.gz FYBPYQDCNOOZGV-CYBMUJFWSA-N 1 0 293.407 3.314 10 0 CGAERO C[NH2+][C@H]1CCCN(Cc2ccc(CC(C)C)cc2)C1 ZINC000094901292 165394851 /nfs/dbraw/zinc/39/48/51/165394851.db2.gz KCPXPKFLUCLFPX-KRWDZBQOSA-N 1 0 260.425 3.069 10 0 CGAERO Cc1ccccc1[C@@H](C)[NH2+]CC(=O)N1CCc2ccccc21 ZINC000102683530 165413555 /nfs/dbraw/zinc/41/35/55/165413555.db2.gz WLANBOZIIPEDCX-OAHLLOKOSA-N 1 0 294.398 3.235 10 0 CGAERO CC1(C)CN(C(=O)c2cc3ccccc3s2)CC[C@H]1[NH3+] ZINC000261639522 165825515 /nfs/dbraw/zinc/82/55/15/165825515.db2.gz CDDLWPCSANDCAO-CQSZACIVSA-N 1 0 288.416 3.101 10 0 CGAERO Cc1ccccc1[C@@H](C)CC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261692487 165828584 /nfs/dbraw/zinc/82/85/84/165828584.db2.gz DGQLRPDIQYRDRM-GOEBONIOSA-N 1 0 288.435 3.074 10 0 CGAERO CC[C@@H](CC1CCCCC1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000114328120 287150754 /nfs/dbraw/zinc/15/07/54/287150754.db2.gz NDOQQQIZDFLFBX-HOTGVXAUSA-N 1 0 280.456 3.146 10 0 CGAERO CC[N@H+](Cc1nnc(C(C)C)n1C)[C@H]1CCCC[C@@H]1C ZINC000120144854 287178701 /nfs/dbraw/zinc/17/87/01/287178701.db2.gz NCMGKEDZTCDYAU-KBPBESRZSA-N 1 0 278.444 3.339 10 0 CGAERO CCC[C@H](C(=O)NC[C@H](CC)c1ccccc1)[NH+](C)C ZINC000120520438 287183219 /nfs/dbraw/zinc/18/32/19/287183219.db2.gz GERSLCHLOWDNSN-GOEBONIOSA-N 1 0 276.424 3.027 10 0 CGAERO c1ccc(C[C@H]2[NH2+]CC[C@@H]2Cc2ccccc2)cc1 ZINC000003732558 169909536 /nfs/dbraw/zinc/90/95/36/169909536.db2.gz UPBZNDIYCLJENK-QZTJIDSGSA-N 1 0 251.373 3.450 10 0 CGAERO CCC[NH2+][C@@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000004976401 170047838 /nfs/dbraw/zinc/04/78/38/170047838.db2.gz HPXHERWSLMDPQQ-IRXDYDNUSA-N 1 0 255.361 3.461 10 0 CGAERO Cc1cnn(CC[NH2+][C@H](Cc2ccc(C)cc2)C2CC2)c1 ZINC000123935636 287227344 /nfs/dbraw/zinc/22/73/44/287227344.db2.gz OALHOZFLKMEWQH-GOSISDBHSA-N 1 0 283.419 3.111 10 0 CGAERO O[C@@H]1CCCC[C@H]1[N@H+]1CC=C(c2ccccc2)CC1 ZINC000005646994 170123660 /nfs/dbraw/zinc/12/36/60/170123660.db2.gz NJNHOOFGKCHIFQ-IAGOWNOFSA-N 1 0 257.377 3.079 10 0 CGAERO COc1ccc([C@@H]2CC[NH2+]C2)cc1OC1CCCC1 ZINC000013741096 170585094 /nfs/dbraw/zinc/58/50/94/170585094.db2.gz WIPHPWZXIKOWIF-CYBMUJFWSA-N 1 0 261.365 3.094 10 0 CGAERO CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1cccc(C[NH3+])c1 ZINC000019399977 170784583 /nfs/dbraw/zinc/78/45/83/170784583.db2.gz NQYJJOSSHAVYLT-HOCLYGCPSA-N 1 0 290.407 3.069 10 0 CGAERO CC(C)(c1ccccc1)[C@H]([NH3+])c1ccc2c(c1)OCCO2 ZINC000019841683 170889982 /nfs/dbraw/zinc/88/99/82/170889982.db2.gz FWYZVLFZULOXTR-QGZVFWFLSA-N 1 0 283.371 3.435 10 0 CGAERO Cc1cc([C@@H](C)[NH2+][C@H]2CN3CCC2CC3)c(C)s1 ZINC000020091026 170989968 /nfs/dbraw/zinc/98/99/68/170989968.db2.gz AKZCQDMKYZBSNG-ABAIWWIYSA-N 1 0 264.438 3.110 10 0 CGAERO Cc1cc([C@H](C)[NH2+][C@@H]2CN3CCC2CC3)c(C)s1 ZINC000020091024 170990232 /nfs/dbraw/zinc/99/02/32/170990232.db2.gz AKZCQDMKYZBSNG-XHDPSFHLSA-N 1 0 264.438 3.110 10 0 CGAERO C[C@H](N[C@H](C[NH+](C)C)c1ccccc1)c1ccco1 ZINC000020129373 171017569 /nfs/dbraw/zinc/01/75/69/171017569.db2.gz VVDZNLRSEOVBJR-DZGCQCFKSA-N 1 0 258.365 3.233 10 0 CGAERO C[C@H](N[C@@H](C[NH+](C)C)c1ccccc1)c1ccco1 ZINC000020129371 171017630 /nfs/dbraw/zinc/01/76/30/171017630.db2.gz VVDZNLRSEOVBJR-ZFWWWQNUSA-N 1 0 258.365 3.233 10 0 CGAERO CC(C)[C@@H](C[NH2+][C@@H](C)c1cccc(F)c1)N(C)C ZINC000020145839 171031347 /nfs/dbraw/zinc/03/13/47/171031347.db2.gz GCIRYGDOOSTYHD-SWLSCSKDSA-N 1 0 252.377 3.063 10 0 CGAERO Cc1ccc([C@H]([NH2+]CCCO)c2ccccc2)c(C)c1 ZINC000020188229 171053508 /nfs/dbraw/zinc/05/35/08/171053508.db2.gz MXXBQXGGWXZAPC-GOSISDBHSA-N 1 0 269.388 3.365 10 0 CGAERO Cc1cccc(NC(=O)C[NH2+]Cc2ccc(Cl)cc2)c1 ZINC000020210074 171074073 /nfs/dbraw/zinc/07/40/73/171074073.db2.gz VQDRAORPRZONGN-UHFFFAOYSA-N 1 0 288.778 3.377 10 0 CGAERO Cc1cccc(CN(C)[C@@H](C[NH3+])c2ccccc2C)c1 ZINC000020225432 171088769 /nfs/dbraw/zinc/08/87/69/171088769.db2.gz NFAHDDZVRVXLCS-SFHVURJKSA-N 1 0 268.404 3.435 10 0 CGAERO COc1ccc(CN(C)[C@@H](C[NH3+])c2ccccc2C)cc1 ZINC000020225452 171089080 /nfs/dbraw/zinc/08/90/80/171089080.db2.gz NPXQMKVJJZSVDQ-SFHVURJKSA-N 1 0 284.403 3.135 10 0 CGAERO [NH3+]C[C@@H](c1ccc(Cl)cc1)N1CCc2ccccc2C1 ZINC000020225991 171090128 /nfs/dbraw/zinc/09/01/28/171090128.db2.gz YATCRPUYHOOVKM-KRWDZBQOSA-N 1 0 286.806 3.398 10 0 CGAERO C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc2cc[nH]c2c1 ZINC000020287218 171133413 /nfs/dbraw/zinc/13/34/13/171133413.db2.gz LOCKTIDVYAJQLY-GOSISDBHSA-N 1 0 280.371 3.333 10 0 CGAERO [NH3+][C@H](COc1ccc2c(c1)CCC2)c1ccccc1 ZINC000020296753 171137097 /nfs/dbraw/zinc/13/70/97/171137097.db2.gz OVVKNTAROVIWSV-QGZVFWFLSA-N 1 0 253.345 3.254 10 0 CGAERO C[C@@H]([NH2+]C1CCCCCCC1)C(=O)N1CCCCCC1 ZINC000020314831 171145571 /nfs/dbraw/zinc/14/55/71/171145571.db2.gz OBDIEJNPWKPMJR-OAHLLOKOSA-N 1 0 280.456 3.480 10 0 CGAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+]C1CCCCCCC1 ZINC000020365578 171164088 /nfs/dbraw/zinc/16/40/88/171164088.db2.gz GWEQSYHFLLYXOF-CYBMUJFWSA-N 1 0 268.445 3.382 10 0 CGAERO Cc1ccccc1-n1cc(C[NH3+])c(-c2ccc(F)cc2)n1 ZINC000020390777 171179330 /nfs/dbraw/zinc/17/93/30/171179330.db2.gz DJENDHQDVOJTKB-UHFFFAOYSA-N 1 0 281.334 3.446 10 0 CGAERO Cc1cc(OCCSCC[NH3+])cc(C)c1Cl ZINC000020399425 171181449 /nfs/dbraw/zinc/18/14/49/171181449.db2.gz STPDPHGQNOELFH-UHFFFAOYSA-N 1 0 259.802 3.028 10 0 CGAERO C[NH+](C)CCNc1c(Cl)cccc1C(F)(F)F ZINC000020443431 171205892 /nfs/dbraw/zinc/20/58/92/171205892.db2.gz CLEVGELFJFKOQR-UHFFFAOYSA-N 1 0 266.694 3.332 10 0 CGAERO Cc1ccc(NC(=O)[C@@H]([NH3+])c2ccccc2)c(Cl)c1 ZINC000020471403 171214105 /nfs/dbraw/zinc/21/41/05/171214105.db2.gz UGLJDJKLLALRIZ-AWEZNQCLSA-N 1 0 274.751 3.287 10 0 CGAERO CC(C)(C)OC[C@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000020510727 171230761 /nfs/dbraw/zinc/23/07/61/171230761.db2.gz OWFCSIIOKXOORP-IXUJDMMCSA-N 1 0 251.414 3.345 10 0 CGAERO CCCCOCCOc1ccc([C@H](C)[NH3+])cc1F ZINC000020517004 171232910 /nfs/dbraw/zinc/23/29/10/171232910.db2.gz BXFLCBYZSBXCCQ-NSHDSACASA-N 1 0 255.333 3.041 10 0 CGAERO COCCC[NH2+][C@@H](C)c1ccc(OC(C)C)c(F)c1 ZINC000020549955 171246783 /nfs/dbraw/zinc/24/67/83/171246783.db2.gz SWFFYMPTXFLIGJ-LBPRGKRZSA-N 1 0 269.360 3.300 10 0 CGAERO Nc1c[nH+]ccc1Nc1cccc(C(F)(F)F)c1 ZINC000020584891 171258187 /nfs/dbraw/zinc/25/81/87/171258187.db2.gz YFOJKIDQQPKOAH-UHFFFAOYSA-N 1 0 253.227 3.426 10 0 CGAERO CCC[C@H]([NH3+])c1cc(Br)ccc1OC ZINC000020586691 171259391 /nfs/dbraw/zinc/25/93/91/171259391.db2.gz VYVLZESZPFTCJE-JTQLQIEISA-N 1 0 258.159 3.258 10 0 CGAERO Cc1ccc(COc2cccc(C[NH2+]C[C@@H](C)O)c2)cc1 ZINC000020874454 171277231 /nfs/dbraw/zinc/27/72/31/171277231.db2.gz QAPKFUACCYOWJI-OAHLLOKOSA-N 1 0 285.387 3.044 10 0 CGAERO CCCOc1ccc(C[NH2+]Cc2cccnc2)cc1OC ZINC000020931001 171280779 /nfs/dbraw/zinc/28/07/79/171280779.db2.gz YJPQUSHAARUITE-UHFFFAOYSA-N 1 0 286.375 3.169 10 0 CGAERO CCCOc1ccc(Cl)cc1C[NH2+]CCCOC ZINC000020929065 171281041 /nfs/dbraw/zinc/28/10/41/171281041.db2.gz WHAVHOXWNUSYLI-UHFFFAOYSA-N 1 0 271.788 3.255 10 0 CGAERO CCCOc1ccc(CNCCC[NH+](C)C)cc1Cl ZINC000020967419 171282010 /nfs/dbraw/zinc/28/20/10/171282010.db2.gz YNYKDUVWLZEFCR-UHFFFAOYSA-N 1 0 284.831 3.170 10 0 CGAERO CC1CC[NH+]([C@]2(CN)C[C@@H](C)CC(C)(C)C2)CC1 ZINC000021513795 171311533 /nfs/dbraw/zinc/31/15/33/171311533.db2.gz BQOZWJBHZMJZLL-GOEBONIOSA-N 1 0 252.446 3.262 10 0 CGAERO Cc1ccc([C@H]([NH3+])CN(C)c2ccccc2)cc1C ZINC000021518242 171314518 /nfs/dbraw/zinc/31/45/18/171314518.db2.gz SWVUSILKZMCVNP-QGZVFWFLSA-N 1 0 254.377 3.440 10 0 CGAERO CC(C)C[C@@H](C[NH2+]C1[C@@H](C)CCC[C@@H]1C)N1CCOCC1 ZINC000021810741 171328886 /nfs/dbraw/zinc/32/88/86/171328886.db2.gz YQIWZABSEGRHAM-ULQDDVLXSA-N 1 0 296.499 3.148 10 0 CGAERO CC[C@H](c1cccc(Cl)c1)N1CCC[NH2+]CC1 ZINC000022045719 171350455 /nfs/dbraw/zinc/35/04/55/171350455.db2.gz GDYCWUTUSASBBI-CQSZACIVSA-N 1 0 252.789 3.086 10 0 CGAERO C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1N ZINC000022156107 171362405 /nfs/dbraw/zinc/36/24/05/171362405.db2.gz OFHDMPTZZKGAEK-NSHDSACASA-N 1 0 295.814 3.125 10 0 CGAERO Cc1ccc(C(=O)Nc2cccc([C@H](C)[NH3+])c2)cc1 ZINC000022164033 171365192 /nfs/dbraw/zinc/36/51/92/171365192.db2.gz RDQRULLVWZPSQT-LBPRGKRZSA-N 1 0 254.333 3.267 10 0 CGAERO CCc1ccc([C@@H](C[NH3+])N2CCc3sccc3C2)cc1 ZINC000022177545 171371713 /nfs/dbraw/zinc/37/17/13/171371713.db2.gz BBDWYPGSWMFGMA-MRXNPFEDSA-N 1 0 286.444 3.369 10 0 CGAERO C[C@H]([NH3+])c1cccc(NC(=O)Nc2ccc(F)cc2)c1 ZINC000022222502 171378647 /nfs/dbraw/zinc/37/86/47/171378647.db2.gz KLLVLXJKIGJCGQ-JTQLQIEISA-N 1 0 273.311 3.489 10 0 CGAERO CCOc1ccccc1C(=O)Nc1ccccc1[C@H](C)[NH3+] ZINC000022223195 171379132 /nfs/dbraw/zinc/37/91/32/171379132.db2.gz XHGSVHNXFCQBHW-LBPRGKRZSA-N 1 0 284.359 3.357 10 0 CGAERO Cc1cc(C)n(C[C@@H]([NH3+])c2cccc(C(F)(F)F)c2)n1 ZINC000023068221 171408999 /nfs/dbraw/zinc/40/89/99/171408999.db2.gz AJQWPMMBBMGIBY-CYBMUJFWSA-N 1 0 283.297 3.219 10 0 CGAERO C[NH2+]CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000034572474 171844554 /nfs/dbraw/zinc/84/45/54/171844554.db2.gz QEIBKLLSSWHWMK-UHFFFAOYSA-N 1 0 271.204 3.486 10 0 CGAERO CCC(CC)C(=O)N(c1ccc(C[NH3+])cc1)C(C)C ZINC000034654826 171849121 /nfs/dbraw/zinc/84/91/21/171849121.db2.gz WQGFRYTWRSXEHP-UHFFFAOYSA-N 1 0 262.397 3.323 10 0 CGAERO C[NH2+][C@@H](C)c1c(F)cccc1Sc1ncccn1 ZINC000034669138 171856042 /nfs/dbraw/zinc/85/60/42/171856042.db2.gz XGVRCYOWKFRNJD-VIFPVBQESA-N 1 0 263.341 3.047 10 0 CGAERO CCN(CC)[C@H](C[NH2+]C[C@H]1CCCCO1)c1ccccc1 ZINC000035151279 172014096 /nfs/dbraw/zinc/01/40/96/172014096.db2.gz SGUJDJXNKQATIV-QZTJIDSGSA-N 1 0 290.451 3.228 10 0 CGAERO COc1ccc(C)cc1C[NH2+][C@H](C)c1ccncc1 ZINC000035162044 172022442 /nfs/dbraw/zinc/02/24/42/172022442.db2.gz XFEVXRHBTNLGDX-CYBMUJFWSA-N 1 0 256.349 3.249 10 0 CGAERO Cc1ccccc1NC(=O)C[NH2+][C@@H]1CCc2ccccc21 ZINC000035180531 172034024 /nfs/dbraw/zinc/03/40/24/172034024.db2.gz CXIIWJVDVJVEJS-QGZVFWFLSA-N 1 0 280.371 3.211 10 0 CGAERO CC[NH2+][C@H](C)c1ccc(SCCOC)c(F)c1 ZINC000035322051 172125222 /nfs/dbraw/zinc/12/52/22/172125222.db2.gz MOOXSIWNHKWFMT-SNVBAGLBSA-N 1 0 257.374 3.235 10 0 CGAERO COc1ccc([C@H]([NH3+])c2ccoc2C)cc1Cl ZINC000035381616 172164738 /nfs/dbraw/zinc/16/47/38/172164738.db2.gz NQBHRKCSKPAMGG-ZDUSSCGKSA-N 1 0 251.713 3.298 10 0 CGAERO C[NH2+][C@H](c1cc(Br)ccc1OC)[C@H]1C[C@@H]1C ZINC000035456801 172206789 /nfs/dbraw/zinc/20/67/89/172206789.db2.gz FKUHBVRRTLCUCZ-FWDPORAESA-N 1 0 284.197 3.374 10 0 CGAERO C[NH2+][C@H](c1ccc(F)cc1)c1ccc(C)c(OC)c1 ZINC000035463699 172211786 /nfs/dbraw/zinc/21/17/86/172211786.db2.gz UCZNIFGZJFMJHC-MRXNPFEDSA-N 1 0 259.324 3.452 10 0 CGAERO C[NH2+][C@@H](c1cnn(C)c1)c1cccc(Cl)c1Cl ZINC000035500372 172234372 /nfs/dbraw/zinc/23/43/72/172234372.db2.gz UYLVJNOXERBSPG-LBPRGKRZSA-N 1 0 270.163 3.036 10 0 CGAERO C[NH2+][C@@H](CC(F)(F)F)c1cc2c(cc1Cl)NC(=O)C2 ZINC000035507378 172240294 /nfs/dbraw/zinc/24/02/94/172240294.db2.gz ZWDMKNWXAIUIHI-JTQLQIEISA-N 1 0 292.688 3.048 10 0 CGAERO CC[NH2+][C@@H](CC(F)(F)F)c1cc(OC)ccc1OC ZINC000035541491 172248516 /nfs/dbraw/zinc/24/85/16/172248516.db2.gz ITTUVPWYTRSQCN-NSHDSACASA-N 1 0 277.286 3.307 10 0 CGAERO CCC[C@@H](C)[C@H]([NH2+]CC)c1ccc2c(c1)CC(=O)N2 ZINC000035549984 172257515 /nfs/dbraw/zinc/25/75/15/172257515.db2.gz VQSMSVQEUIEGBW-BZNIZROVSA-N 1 0 260.381 3.268 10 0 CGAERO CCC[NH2+][C@H](c1cnn(C)c1)c1ccc(Cl)cc1 ZINC000035584333 172283134 /nfs/dbraw/zinc/28/31/34/172283134.db2.gz QJPUCDXXRPIRHR-AWEZNQCLSA-N 1 0 263.772 3.163 10 0 CGAERO CCC[NH2+][C@H](Cc1ccccc1Cl)c1cnn(C)c1 ZINC000035584221 172283253 /nfs/dbraw/zinc/28/32/53/172283253.db2.gz PIZXNQIQIWRVDV-OAHLLOKOSA-N 1 0 277.799 3.357 10 0 CGAERO C[NH2+][C@@H](C)c1ccc(NC(=O)OCC(C)C)cc1 ZINC000035645312 172322421 /nfs/dbraw/zinc/32/24/21/172322421.db2.gz ZOGOMTRIWXXHIC-NSHDSACASA-N 1 0 250.342 3.172 10 0 CGAERO CC[NH2+][C@@H](C)c1ccccc1NC(=O)NC(C)(C)C ZINC000035645819 172322844 /nfs/dbraw/zinc/32/28/44/172322844.db2.gz GSCIQIRDSUFDOM-NSHDSACASA-N 1 0 263.385 3.277 10 0 CGAERO CN(Cc1ccsc1)[C@@H](C[NH3+])c1cccc(F)c1 ZINC000035718855 172373332 /nfs/dbraw/zinc/37/33/32/172373332.db2.gz CTZIHXRXHUWBJL-AWEZNQCLSA-N 1 0 264.369 3.019 10 0 CGAERO [NH3+]Cc1ccc(Sc2ccccc2Br)nc1 ZINC000035719922 172374833 /nfs/dbraw/zinc/37/48/33/172374833.db2.gz JAZDGTQXXPCBNL-UHFFFAOYSA-N 1 0 295.205 3.454 10 0 CGAERO [NH3+]Cc1ccnc(Sc2ccccc2Cl)c1 ZINC000035720099 172374895 /nfs/dbraw/zinc/37/48/95/172374895.db2.gz MKPFOEJIRXIQNE-UHFFFAOYSA-N 1 0 250.754 3.345 10 0 CGAERO COc1ccc2[nH]c(SCc3ccc(C[NH3+])cc3)nc2c1 ZINC000035723973 172379230 /nfs/dbraw/zinc/37/92/30/172379230.db2.gz NGWAGUPRPJHGBH-UHFFFAOYSA-N 1 0 299.399 3.323 10 0 CGAERO CC[NH2+]Cc1cccc(NC(=O)/C=C/c2ccco2)c1 ZINC000036281235 172572216 /nfs/dbraw/zinc/57/22/16/172572216.db2.gz TWXKDPRKZFEAKA-CMDGGOBGSA-N 1 0 270.332 3.041 10 0 CGAERO C[C@@H]1Cc2ccccc2N1C[C@H]([NH3+])c1ccccc1 ZINC000036998802 172857996 /nfs/dbraw/zinc/85/79/96/172857996.db2.gz RITZHXLBQQUOCT-CJNGLKHVSA-N 1 0 252.361 3.138 10 0 CGAERO CC[C@@H]1CCC[N@@H+]([C@@H](CN)c2ccc(C)c(C)c2)C1 ZINC000037180162 173013042 /nfs/dbraw/zinc/01/30/42/173013042.db2.gz RZXXDJXPQMQYDR-WBVHZDCISA-N 1 0 260.425 3.425 10 0 CGAERO Cc1ccc2sc(N[C@H]3C[NH+]4CCC3CC4)nc2c1 ZINC000037206667 173027688 /nfs/dbraw/zinc/02/76/88/173027688.db2.gz GTGJYEKSYFACAN-ZDUSSCGKSA-N 1 0 273.405 3.111 10 0 CGAERO O=C(C[NH2+]CC1CCCCC1)Nc1ccccc1Cl ZINC000037247535 173060122 /nfs/dbraw/zinc/06/01/22/173060122.db2.gz ICJFQWRHHFNNCA-UHFFFAOYSA-N 1 0 280.799 3.448 10 0 CGAERO CC[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCCC2)C(C)C ZINC000037318554 173118412 /nfs/dbraw/zinc/11/84/12/173118412.db2.gz QQAXPEINQRBOSF-QWHCGFSZSA-N 1 0 264.417 3.090 10 0 CGAERO [NH3+]C[C@H](c1ccc(Cl)s1)N1CCc2ccccc2C1 ZINC000037328327 173128881 /nfs/dbraw/zinc/12/88/81/173128881.db2.gz XSIOIPQAIBESHM-CYBMUJFWSA-N 1 0 292.835 3.460 10 0 CGAERO O=C1CCC[C@@H]1[NH+]1CCC(Cc2ccccc2)CC1 ZINC000037333772 173135826 /nfs/dbraw/zinc/13/58/26/173135826.db2.gz GIXYYVWQXWPQNJ-INIZCTEOSA-N 1 0 257.377 3.063 10 0 CGAERO CC[N@H+](CC(C)C)[C@@H](C)C(=O)c1ccc(OC)cc1 ZINC000037336363 173137585 /nfs/dbraw/zinc/13/75/85/173137585.db2.gz ZWBKCHAMQWLHTM-ZDUSSCGKSA-N 1 0 263.381 3.244 10 0 CGAERO CC[C@@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1Cl ZINC000037386339 173168917 /nfs/dbraw/zinc/16/89/17/173168917.db2.gz TWNUSUFVIUSOEY-MRVPVSSYSA-N 1 0 275.179 3.320 10 0 CGAERO CC[C@H](C)[NH2+]CC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000037386360 173169072 /nfs/dbraw/zinc/16/90/72/173169072.db2.gz PIBONHISYYNXAT-QMMMGPOBSA-N 1 0 275.179 3.320 10 0 CGAERO CC[C@@H](C)[NH2+]CC(=O)Nc1ccccc1SC(F)F ZINC000037388701 173172676 /nfs/dbraw/zinc/17/26/76/173172676.db2.gz DPZZNSXADSBRPS-SECBINFHSA-N 1 0 288.363 3.328 10 0 CGAERO CCC[C@@H](NC(=O)C[NH2+][C@@H](C)CC)c1ccccc1 ZINC000037394590 173175552 /nfs/dbraw/zinc/17/55/52/173175552.db2.gz JKAUDQKOCDOQFZ-DZGCQCFKSA-N 1 0 262.397 3.032 10 0 CGAERO CCCCCC[C@@H](C)[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC000037495420 173234633 /nfs/dbraw/zinc/23/46/33/173234633.db2.gz JASGEBXPMVAYIR-CABCVRRESA-N 1 0 268.445 3.336 10 0 CGAERO COc1ccc([C@@](C)([NH3+])Cc2cccc(F)c2)cc1 ZINC000037531499 173253580 /nfs/dbraw/zinc/25/35/80/173253580.db2.gz DGNCEYMMVAMGSW-INIZCTEOSA-N 1 0 259.324 3.251 10 0 CGAERO CC[NH2+][C@H](Cc1ccccc1Cl)C[C@@H]1CCCO1 ZINC000037535230 173254449 /nfs/dbraw/zinc/25/44/49/173254449.db2.gz TZVQEQINKZBTFW-KGLIPLIRSA-N 1 0 267.800 3.430 10 0 CGAERO CCC[NH2+][C@@H](CCc1ccccc1)c1ncccn1 ZINC000037536382 173255337 /nfs/dbraw/zinc/25/53/37/173255337.db2.gz MQZNUSDRNDZWDY-HNNXBMFYSA-N 1 0 255.365 3.150 10 0 CGAERO CC(C)[C@H](NC(=O)CC[NH2+]C(C)(C)C)c1cccs1 ZINC000037634610 173583142 /nfs/dbraw/zinc/58/31/42/173583142.db2.gz OITAFGCKNRWYDH-AWEZNQCLSA-N 1 0 282.453 3.340 10 0 CGAERO [NH3+]CCc1ccccc1OC/C=C/c1ccccc1 ZINC000037720427 173638769 /nfs/dbraw/zinc/63/87/69/173638769.db2.gz IZRXAUNBCMCEED-RMKNXTFCSA-N 1 0 253.345 3.280 10 0 CGAERO Cc1cc(C[C@H](C)[NH3+])cc(C)c1OC/C=C/Cl ZINC000037723173 173642170 /nfs/dbraw/zinc/64/21/70/173642170.db2.gz CEAHMENGZAJQEI-ITKZLYELSA-N 1 0 253.773 3.324 10 0 CGAERO CCc1ccc([C@@H](C)[NH2+]C[C@@H](O)COC2CCCC2)cc1 ZINC000037975415 173930185 /nfs/dbraw/zinc/93/01/85/173930185.db2.gz SDHSSXNAMPEPJB-RHSMWYFYSA-N 1 0 291.435 3.220 10 0 CGAERO C[NH2+][C@H](C)CCc1ccc(F)cc1Br ZINC000038001010 173964033 /nfs/dbraw/zinc/96/40/33/173964033.db2.gz OWKCQERGRPYCKK-MRVPVSSYSA-N 1 0 260.150 3.129 10 0 CGAERO CC[NH2+][C@@H](C)c1c(F)cccc1-n1cc(Cl)cn1 ZINC000038053656 174065071 /nfs/dbraw/zinc/06/50/71/174065071.db2.gz ZOOCKECVCYDHDC-VIFPVBQESA-N 1 0 267.735 3.335 10 0 CGAERO CC[C@H]([NH2+]C)c1ccc(-c2c(C)nn(C)c2C)cc1 ZINC000038073194 174083421 /nfs/dbraw/zinc/08/34/21/174083421.db2.gz SVVNYXRBFGACBI-HNNXBMFYSA-N 1 0 257.381 3.374 10 0 CGAERO C[C@H](c1cc(F)c(Cl)cc1Cl)N1CC[NH2+]CC1 ZINC000038086772 174097853 /nfs/dbraw/zinc/09/78/53/174097853.db2.gz FHJIULYWHMGWBO-MRVPVSSYSA-N 1 0 277.170 3.099 10 0 CGAERO Cc1ccc(C2CC([NH2+]CC[C@@H]3CCCO3)C2)cc1 ZINC000038096125 174110299 /nfs/dbraw/zinc/11/02/99/174110299.db2.gz JTFPPHMVDCPIAN-JCYILVPMSA-N 1 0 259.393 3.400 10 0 CGAERO [NH3+]C[C@H](c1cccc(Cl)c1)N1CCCCCC1 ZINC000038808912 174155996 /nfs/dbraw/zinc/15/59/96/174155996.db2.gz CTEZAIZMNVWTRR-CQSZACIVSA-N 1 0 252.789 3.216 10 0 CGAERO Nc1cc[nH+]cc1OCc1cccc2ccccc21 ZINC000038814258 174156069 /nfs/dbraw/zinc/15/60/69/174156069.db2.gz IQVNFLWUHSGWSD-UHFFFAOYSA-N 1 0 250.301 3.396 10 0 CGAERO COc1ccc2c(c1)[C@@]1(C)CCCCC[C@@H](C2)[C@@H]1[NH3+] ZINC000039203162 174165775 /nfs/dbraw/zinc/16/57/75/174165775.db2.gz MQICXMHOEMKUIE-RRQGHBQHSA-N 1 0 259.393 3.417 10 0 CGAERO O=C(NCC[NH2+]C1CCCCCC1)c1cccc(Cl)c1 ZINC000127492050 287289220 /nfs/dbraw/zinc/28/92/20/287289220.db2.gz ZCWCMPXDMKZFID-UHFFFAOYSA-N 1 0 294.826 3.382 10 0 CGAERO COc1cc(Cl)cc(C[NH2+]CC(C)C)c1OC ZINC000040722122 174385585 /nfs/dbraw/zinc/38/55/85/174385585.db2.gz NZQMGHUIOCVPRT-UHFFFAOYSA-N 1 0 257.761 3.103 10 0 CGAERO COc1ccccc1C[C@@H](C[NH3+])Cc1cccc(F)c1 ZINC000041409692 174548403 /nfs/dbraw/zinc/54/84/03/174548403.db2.gz OTIBDNWSBVRXQP-AWEZNQCLSA-N 1 0 273.351 3.194 10 0 CGAERO Cc1ccc([C@H](CN)[N@@H+](CC2CC2)C(C)C)c(C)c1 ZINC000042580058 174804610 /nfs/dbraw/zinc/80/46/10/174804610.db2.gz UJAILCQCWNDNSC-KRWDZBQOSA-N 1 0 260.425 3.424 10 0 CGAERO CCC[NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1 ZINC000042590346 174811592 /nfs/dbraw/zinc/81/15/92/174811592.db2.gz TWJDRQLYFLGTHI-NSHDSACASA-N 1 0 256.752 3.057 10 0 CGAERO C[C@@H]([NH3+])[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000042900671 174905176 /nfs/dbraw/zinc/90/51/76/174905176.db2.gz CCTYQMMWHSCZRM-MLGOLLRUSA-N 1 0 272.417 3.195 10 0 CGAERO CC[C@@H]([NH3+])[C@H](Sc1nccn1C)c1cccc(C)c1 ZINC000042969546 174932964 /nfs/dbraw/zinc/93/29/64/174932964.db2.gz BNTWLERNRXUTSR-ZIAGYGMSSA-N 1 0 275.421 3.299 10 0 CGAERO CC[C@@H]([NH3+])[C@@H](OC(C)(C)C)c1ccccc1OC ZINC000043099888 174967017 /nfs/dbraw/zinc/96/70/17/174967017.db2.gz TVRKBTNLTKIRKJ-OCCSQVGLSA-N 1 0 251.370 3.289 10 0 CGAERO CC[C@@H]([NH3+])[C@@H](Sc1nncs1)c1ccccc1OC ZINC000043101177 174967697 /nfs/dbraw/zinc/96/76/97/174967697.db2.gz QIKFEGSARQMYFC-PWSUYJOCSA-N 1 0 295.433 3.117 10 0 CGAERO C[C@@H]([NH3+])Cc1ccc(OC[C@@H]2CCCCO2)c(Cl)c1 ZINC000043491550 175057567 /nfs/dbraw/zinc/05/75/67/175057567.db2.gz VZGQIMZBIMCJJK-YPMHNXCESA-N 1 0 283.799 3.178 10 0 CGAERO CC[NH2+][C@@H](CN1CCCCC1)c1ccc(C)c(C)c1 ZINC000043814335 175111464 /nfs/dbraw/zinc/11/14/64/175111464.db2.gz OOVVMXOBEQOPQZ-KRWDZBQOSA-N 1 0 260.425 3.440 10 0 CGAERO Cc1ccc([C@@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)c1 ZINC000044113744 175140940 /nfs/dbraw/zinc/14/09/40/175140940.db2.gz LCOMKHHPADTRQO-VBQJREDUSA-N 1 0 261.409 3.315 10 0 CGAERO C[C@@H]1C[NH+](C[C@H](O)c2ccc(C(C)(C)C)cc2)C[C@@H](C)O1 ZINC000044116968 175141525 /nfs/dbraw/zinc/14/15/25/175141525.db2.gz NKPDROWSEYUENV-CPUCHLNUSA-N 1 0 291.435 3.127 10 0 CGAERO COc1ccc(-c2ccc(C[C@H](C)[NH3+])cc2)cc1OC ZINC000044461095 175177818 /nfs/dbraw/zinc/17/78/18/175177818.db2.gz LIRDFVCKQMUPAB-LBPRGKRZSA-N 1 0 271.360 3.261 10 0 CGAERO COCCCC[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000044656103 175225485 /nfs/dbraw/zinc/22/54/85/175225485.db2.gz YHCGQIRIDRDCCM-MRXNPFEDSA-N 1 0 259.349 3.385 10 0 CGAERO CCN(C[C@H]([NH3+])c1ccccc1)c1cccc(F)c1 ZINC000044881114 175269532 /nfs/dbraw/zinc/26/95/32/175269532.db2.gz YKFUOEDABZJKJM-INIZCTEOSA-N 1 0 258.340 3.352 10 0 CGAERO CC(C)CCOCC[NH2+][C@H]1CCOc2ccccc21 ZINC000045093952 175306927 /nfs/dbraw/zinc/30/69/27/175306927.db2.gz PCPMNSYRGMEEBA-HNNXBMFYSA-N 1 0 263.381 3.163 10 0 CGAERO COc1ccccc1-c1cnc(C[NH2+]C2CC2)s1 ZINC000045206077 175327501 /nfs/dbraw/zinc/32/75/01/175327501.db2.gz YRTWCESZIMITDI-UHFFFAOYSA-N 1 0 260.362 3.071 10 0 CGAERO CC(C)n1nc(C[NH2+]C(C)(C)C)c(-c2ccccc2)n1 ZINC000045944870 175387226 /nfs/dbraw/zinc/38/72/26/175387226.db2.gz CGWKFOSBFXWIGX-UHFFFAOYSA-N 1 0 272.396 3.414 10 0 CGAERO c1cc([C@@H]2[NH2+]CCc3nc[nH]c32)sc1-c1ccccc1 ZINC000065507819 175745431 /nfs/dbraw/zinc/74/54/31/175745431.db2.gz HDEHKYIUVLKZCD-INIZCTEOSA-N 1 0 281.384 3.373 10 0 CGAERO CC[C@H]1[NH2+]CCc2c(F)ccc(Br)c21 ZINC000070821277 176007372 /nfs/dbraw/zinc/00/73/72/176007372.db2.gz CXZQWAAWYBWMJN-SNVBAGLBSA-N 1 0 258.134 3.185 10 0 CGAERO CC[C@@H]1[NH2+]CCc2c(F)ccc(Br)c21 ZINC000070821279 176007396 /nfs/dbraw/zinc/00/73/96/176007396.db2.gz CXZQWAAWYBWMJN-JTQLQIEISA-N 1 0 258.134 3.185 10 0 CGAERO Brc1ccc2c(c1)[C@@H](C1CC1)[NH2+]CC2 ZINC000070821319 176007523 /nfs/dbraw/zinc/00/75/23/176007523.db2.gz MSOQMYJCFOYLEY-GFCCVEGCSA-N 1 0 252.155 3.046 10 0 CGAERO C[C@@H]1CCCC[C@@H]1OCc1ccc(F)cc1C[NH3+] ZINC000071264156 176097321 /nfs/dbraw/zinc/09/73/21/176097321.db2.gz CCZXQSXLZMSEFY-ABAIWWIYSA-N 1 0 251.345 3.380 10 0 CGAERO Clc1ccc([C@H]2C[NH2+]C[C@H](C3CC3)O2)c(Cl)c1 ZINC000071308619 176116024 /nfs/dbraw/zinc/11/60/24/176116024.db2.gz FGWGISFDHRSZQI-CHWSQXEVSA-N 1 0 272.175 3.433 10 0 CGAERO Clc1ccc([C@@H]2C[NH2+]C[C@H](C3CC3)O2)cc1Cl ZINC000071308447 176116485 /nfs/dbraw/zinc/11/64/85/176116485.db2.gz CJQHYCPONFHRCC-OLZOCXBDSA-N 1 0 272.175 3.433 10 0 CGAERO CCCN([C@@H]1CC[NH2+]C1)[C@@H]1CCCc2ccccc21 ZINC000071314790 176120931 /nfs/dbraw/zinc/12/09/31/176120931.db2.gz DKDCMVPCSVFDTE-NVXWUHKLSA-N 1 0 258.409 3.138 10 0 CGAERO CCCC[C@H](CC)CSc1nnc(C[NH3+])n1CC ZINC000071375067 176140446 /nfs/dbraw/zinc/14/04/46/176140446.db2.gz HYMYBHACWHPLDV-NSHDSACASA-N 1 0 270.446 3.065 10 0 CGAERO Cc1cc(C2([NH3+])CCCC2)ccc1Br ZINC000071575432 176202862 /nfs/dbraw/zinc/20/28/62/176202862.db2.gz SUVFEPLJEIRVEA-UHFFFAOYSA-N 1 0 254.171 3.486 10 0 CGAERO CC[C@H](C)c1ccc(-c2c[nH]c(CC[NH2+]C)n2)cc1 ZINC000071582911 176208000 /nfs/dbraw/zinc/20/80/00/176208000.db2.gz HBRUICCIMZJCNL-LBPRGKRZSA-N 1 0 257.381 3.352 10 0 CGAERO CC(C)(C)c1ccc([C@@](C)(O)[C@H]2CCC[NH2+]C2)cc1 ZINC000071587891 176215682 /nfs/dbraw/zinc/21/56/82/176215682.db2.gz MGRHEXBTJYDKFC-DOTOQJQBSA-N 1 0 261.409 3.191 10 0 CGAERO C[NH2+][C@H](C(C)C)[C@H](O)c1ccc(OC(C)(C)C)cc1 ZINC000071598018 176221555 /nfs/dbraw/zinc/22/15/55/176221555.db2.gz LLJZFEHEMIYTLF-HUUCEWRRSA-N 1 0 265.397 3.141 10 0 CGAERO Cc1cccc(CCc2nc3ccc(C[NH3+])cc3[nH]2)c1 ZINC000071597906 176221616 /nfs/dbraw/zinc/22/16/16/176221616.db2.gz GVGPEFUYYRGLEZ-UHFFFAOYSA-N 1 0 265.360 3.115 10 0 CGAERO FC(F)(F)c1cc(N2CCC[NH2+]CC2)ccc1Cl ZINC000071630005 176235904 /nfs/dbraw/zinc/23/59/04/176235904.db2.gz MLAPHRLPKJICGJ-UHFFFAOYSA-N 1 0 278.705 3.159 10 0 CGAERO COc1cc(Cl)c(C(=O)C2CC[NH2+]CC2)cc1Cl ZINC000071644285 176239642 /nfs/dbraw/zinc/23/96/42/176239642.db2.gz GEKSEGNRTMHCJS-UHFFFAOYSA-N 1 0 288.174 3.184 10 0 CGAERO Cc1[nH]nc2c1[C@H]([NH3+])C[C@H](c1ccc(Cl)cc1)C2 ZINC000072415395 176399342 /nfs/dbraw/zinc/39/93/42/176399342.db2.gz XRVKOGFVHGFGGL-CMPLNLGQSA-N 1 0 261.756 3.101 10 0 CGAERO CC[NH+](CC)[C@@H]1CCN(C(=O)Oc2ccccc2)C[C@@H]1C ZINC000073655183 176483315 /nfs/dbraw/zinc/48/33/15/176483315.db2.gz HSKQQCFHGULWNJ-GOEBONIOSA-N 1 0 290.407 3.238 10 0 CGAERO COC[C@H](C)C[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000128965953 287321717 /nfs/dbraw/zinc/32/17/17/287321717.db2.gz QFHAEZDAPJRHMN-OCCSQVGLSA-N 1 0 263.381 3.161 10 0 CGAERO C[N@H+](CC[C@@H]1NCCc2ccccc21)Cc1ccccc1 ZINC000076476725 177025446 /nfs/dbraw/zinc/02/54/46/177025446.db2.gz GBQLLYLKHTYEFP-IBGZPJMESA-N 1 0 280.415 3.396 10 0 CGAERO CC[C@H](CCC[NH3+])C(=O)Nc1ccc(Cl)cc1 ZINC000076658977 177047847 /nfs/dbraw/zinc/04/78/47/177047847.db2.gz TXQBXIDYOPZKNL-SNVBAGLBSA-N 1 0 254.761 3.044 10 0 CGAERO COc1ccc(CC[C@H](C[NH3+])c2ccccc2)cc1 ZINC000076660198 177048133 /nfs/dbraw/zinc/04/81/33/177048133.db2.gz LMZLCNUSMUPKLX-MRXNPFEDSA-N 1 0 255.361 3.370 10 0 CGAERO Cc1cc([C@@H](C[NH3+])CCOc2ccccc2)c(C)[nH]1 ZINC000076667272 177051733 /nfs/dbraw/zinc/05/17/33/177051733.db2.gz QJXAQTDKXVFVKA-CQSZACIVSA-N 1 0 258.365 3.143 10 0 CGAERO [NH3+]C[C@@H](c1cc(Br)cs1)C1CCC1 ZINC000076669652 177052890 /nfs/dbraw/zinc/05/28/90/177052890.db2.gz DSSKLLAZRGVKOR-SECBINFHSA-N 1 0 260.200 3.353 10 0 CGAERO CN(C[C@@H](CC[NH3+])c1cccs1)c1ccccc1 ZINC000076671344 177053581 /nfs/dbraw/zinc/05/35/81/177053581.db2.gz KGNAJBRONQKCQC-CYBMUJFWSA-N 1 0 260.406 3.317 10 0 CGAERO Cc1ccc(NC(=O)[C@H](CCC[NH3+])C(C)C)cc1C ZINC000076675866 177056104 /nfs/dbraw/zinc/05/61/04/177056104.db2.gz PDAFOPUYQYBYAH-OAHLLOKOSA-N 1 0 262.397 3.253 10 0 CGAERO CC[C@H](CCC[NH3+])C(=O)Nc1cc(Cl)ccc1C ZINC000076706020 177065420 /nfs/dbraw/zinc/06/54/20/177065420.db2.gz XDEIWQKHOFLMSP-LLVKDONJSA-N 1 0 268.788 3.352 10 0 CGAERO C[C@H](CCC[NH3+])C(=O)Nc1ccccc1C(F)(F)F ZINC000076719131 177069341 /nfs/dbraw/zinc/06/93/41/177069341.db2.gz RXWIWFCNDBDWRP-SECBINFHSA-N 1 0 274.286 3.019 10 0 CGAERO CC[C@H](CC[NH3+])C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000076719106 177069349 /nfs/dbraw/zinc/06/93/49/177069349.db2.gz VWNKMZCEKQCLCQ-SECBINFHSA-N 1 0 274.286 3.019 10 0 CGAERO CC[C@@H](C[NH3+])CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000076719117 177069560 /nfs/dbraw/zinc/06/95/60/177069560.db2.gz DPVDIGYZGTUPGC-SECBINFHSA-N 1 0 274.286 3.019 10 0 CGAERO C[C@H](CCC[NH3+])C(=O)Nc1cc(Cl)ccc1Cl ZINC000076722354 177070046 /nfs/dbraw/zinc/07/00/46/177070046.db2.gz IMVAKWKAJDJAIE-MRVPVSSYSA-N 1 0 275.179 3.307 10 0 CGAERO C[C@@H](C[NH3+])CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000076852907 177120930 /nfs/dbraw/zinc/12/09/30/177120930.db2.gz HESNUXLOADRYMM-SSDOTTSWSA-N 1 0 294.704 3.282 10 0 CGAERO C[C@@H](CC[NH3+])C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000076852880 177121090 /nfs/dbraw/zinc/12/10/90/177121090.db2.gz JYISODIMKFDRPK-ZETCQYMHSA-N 1 0 294.704 3.282 10 0 CGAERO Nc1cc(N)[nH+]c(SCc2csc3ccccc23)n1 ZINC000076993954 177139888 /nfs/dbraw/zinc/13/98/88/177139888.db2.gz WCXGEHBYYCQZCW-UHFFFAOYSA-N 1 0 288.401 3.148 10 0 CGAERO Cc1ccc(Br)cc1[C@H]1CC[C@H]([NH3+])C1 ZINC000077607686 177284352 /nfs/dbraw/zinc/28/43/52/177284352.db2.gz QMJYCJUSJICPGP-ONGXEEELSA-N 1 0 254.171 3.352 10 0 CGAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000130570036 287358334 /nfs/dbraw/zinc/35/83/34/287358334.db2.gz LBBOYZYJBUWPGM-RDJZCZTQSA-N 1 0 278.415 3.379 10 0 CGAERO CCCCOC[C@@H](O)C[NH+]1CCC(C2CCCC2)CC1 ZINC000683994461 543959846 /nfs/dbraw/zinc/95/98/46/543959846.db2.gz CWVQEJRKOUXRTB-KRWDZBQOSA-N 1 0 283.456 3.066 10 0 CGAERO CC(C)(C)OC(=O)N1CCC[C@]2(C[C@@H](CC3CC3)C[NH2+]2)C1 ZINC000725255761 544113393 /nfs/dbraw/zinc/11/33/93/544113393.db2.gz LYEZFOMSYSKPNZ-PBHICJAKSA-N 1 0 294.439 3.166 10 0 CGAERO CC(C)C[C@@H]1C[NH2+][C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000725255582 544113424 /nfs/dbraw/zinc/11/34/24/544113424.db2.gz FFJULGHQSXKWQO-XJKSGUPXSA-N 1 0 282.428 3.022 10 0 CGAERO CCC(C)(C)[C@@H]1CCC(OC)(OC)[C@@H](CC[NH3+])C1 ZINC000725261907 544114012 /nfs/dbraw/zinc/11/40/12/544114012.db2.gz NCNJXVXLSBTWRI-OLZOCXBDSA-N 1 0 257.418 3.177 10 0 CGAERO CC(C)C[NH+](CC(C)C)C[C@H]1C[C@@]1(CO)C(C)C ZINC000725267056 544114538 /nfs/dbraw/zinc/11/45/38/544114538.db2.gz DGZBFIMLKAGPKX-HZPDHXFCSA-N 1 0 255.446 3.255 10 0 CGAERO CC[C@H]([NH2+]C1CC(CO)C1)c1cccc(Br)c1 ZINC000658351605 418947172 /nfs/dbraw/zinc/94/71/72/418947172.db2.gz PHZNHVNCTZVZNP-DBRPNBKGSA-N 1 0 298.224 3.261 10 0 CGAERO OCC1CC([NH2+][C@H]2CCCC[C@H]2C2CCCCC2)C1 ZINC000658352861 418947379 /nfs/dbraw/zinc/94/73/79/418947379.db2.gz BKQYGWQHIWDLBZ-KMZOKZLKSA-N 1 0 265.441 3.486 10 0 CGAERO Cc1ccc(C[N@H+](C)C[C@H]2CCC[C@H](O)C2)s1 ZINC000659875983 419026770 /nfs/dbraw/zinc/02/67/70/419026770.db2.gz UJHXDCDEBDZPAD-STQMWFEESA-N 1 0 253.411 3.039 10 0 CGAERO O[C@@H]1CCC[C@H](C[NH+]2CCC(C3CCCC3)CC2)C1 ZINC000659959524 419045774 /nfs/dbraw/zinc/04/57/74/419045774.db2.gz KARGMQUNFUIGLP-WMLDXEAASA-N 1 0 265.441 3.440 10 0 CGAERO CCn1nc(C)c([C@@H](C)[NH2+]Cc2ccnc(C)c2)c1C ZINC000391135818 262383934 /nfs/dbraw/zinc/38/39/34/262383934.db2.gz PKDFKOZHVQQGGS-GFCCVEGCSA-N 1 0 272.396 3.074 10 0 CGAERO COc1ccccc1NC(=O)C[NH2+][C@@H](C)c1cccs1 ZINC000035133069 270027687 /nfs/dbraw/zinc/02/76/87/270027687.db2.gz JPSHDOSOOOJYHJ-NSHDSACASA-N 1 0 290.388 3.046 10 0 CGAERO COc1ccccc1C[C@H](C)[NH2+][C@H](CC(C)C)CN(C)C ZINC000037321604 270029175 /nfs/dbraw/zinc/02/91/75/270029175.db2.gz IBLWKAVTRHKCRL-DOTOQJQBSA-N 1 0 292.467 3.192 10 0 CGAERO CC(C)C[C@@H](C)[NH2+][C@H]1CCN(CCc2ccccc2)C1 ZINC000040671379 270029924 /nfs/dbraw/zinc/02/99/24/270029924.db2.gz SJWPEZKNASDDIZ-AEFFLSMTSA-N 1 0 274.452 3.328 10 0 CGAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000085360025 270043490 /nfs/dbraw/zinc/04/34/90/270043490.db2.gz RAKCRIWOLCOWPP-MAZHCROVSA-N 1 0 288.435 3.289 10 0 CGAERO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CC[C@@H](C)O2)cc1 ZINC000190566904 270073618 /nfs/dbraw/zinc/07/36/18/270073618.db2.gz CDUKSHNYVLQJPS-CJNGLKHVSA-N 1 0 290.407 3.034 10 0 CGAERO C[C@@H](O)CCC[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000227570298 270087419 /nfs/dbraw/zinc/08/74/19/270087419.db2.gz AMTZNHYTUNTUQY-CZUORRHYSA-N 1 0 261.409 3.451 10 0 CGAERO CCCCOC[C@H](O)C[N@H+](CC(C)C)C1CCCC1 ZINC000227907459 270087473 /nfs/dbraw/zinc/08/74/73/270087473.db2.gz NHVVITLQYRJMMD-MRXNPFEDSA-N 1 0 271.445 3.065 10 0 CGAERO CC(C)[NH2+][C@H]1CCOC[C@H]1Cc1ccc(Cl)cc1 ZINC000095088436 273539895 /nfs/dbraw/zinc/53/98/95/273539895.db2.gz KQERKYLJKBAIDS-HIFRSBDPSA-N 1 0 267.800 3.286 10 0 CGAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CN(C(C)C)C[C@H]1C)CC2 ZINC000246271436 274138385 /nfs/dbraw/zinc/13/83/85/274138385.db2.gz AQZGHQRPNRFNLH-FSPWUOQZSA-N 1 0 288.435 3.001 10 0 CGAERO C[C@@H]1CC(C[NH2+][C@H]2CCc3ccccc32)C[C@@H](C)O1 ZINC000282007302 274283266 /nfs/dbraw/zinc/28/32/66/274283266.db2.gz WTWXDMZPGQEQQS-XNJGSVPQSA-N 1 0 259.393 3.467 10 0 CGAERO Cc1cnn(CC[NH2+][C@H]2CCSc3ccc(F)cc32)c1 ZINC000123845692 274830378 /nfs/dbraw/zinc/83/03/78/274830378.db2.gz KXQSHFGOCBHZEI-AWEZNQCLSA-N 1 0 291.395 3.157 10 0 CGAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000249156023 287805902 /nfs/dbraw/zinc/80/59/02/287805902.db2.gz YQUYWHHQPWPRNK-YIDVYQOGSA-N 1 0 253.430 3.198 10 0 CGAERO c1n[nH]cc1[C@H]1CCCC[N@H+]1CC1=Cc2ccccc2OC1 ZINC000093438223 275075196 /nfs/dbraw/zinc/07/51/96/275075196.db2.gz ZIDINBCOIGKYNM-QGZVFWFLSA-N 1 0 295.386 3.413 10 0 CGAERO C[C@H](CCCC(F)(F)F)[NH2+]C[C@H]1CCCC[C@H]1O ZINC000253103903 287847131 /nfs/dbraw/zinc/84/71/31/287847131.db2.gz BUXPXNAQDQQKAV-IJLUTSLNSA-N 1 0 267.335 3.248 10 0 CGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cc(C)cc(C)c1 ZINC000176259069 276168714 /nfs/dbraw/zinc/16/87/14/276168714.db2.gz PZERRGQAAADAQT-MRXNPFEDSA-N 1 0 289.423 3.251 10 0 CGAERO CC[NH+](CC)[C@@H]1CCN([C@@H]2CCCc3ccccc32)C1=O ZINC000367066753 276337676 /nfs/dbraw/zinc/33/76/76/276337676.db2.gz KOPFUCISRRHUBD-IAGOWNOFSA-N 1 0 286.419 3.007 10 0 CGAERO CN1c2ccccc2[C@@H]([NH2+]CCC(C)(C)C)CC1=O ZINC000129609415 277217683 /nfs/dbraw/zinc/21/76/83/277217683.db2.gz JQVGZWLBLAOCCD-ZDUSSCGKSA-N 1 0 260.381 3.120 10 0 CGAERO C[C@@H]([NH2+]C[C@@H]1CC2(CCC2)C(=O)O1)c1ccc(F)c(F)c1 ZINC000192147431 277621530 /nfs/dbraw/zinc/62/15/30/277621530.db2.gz DRGZKAXAHIHGQN-PWSUYJOCSA-N 1 0 295.329 3.101 10 0 CGAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCCCC[C@H]1O ZINC000252870261 277948591 /nfs/dbraw/zinc/94/85/91/277948591.db2.gz OCGDQQRKRWZOLJ-RCCFBDPRSA-N 1 0 289.419 3.356 10 0 CGAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](C)[C@H]1CCCO1 ZINC000248513121 277948899 /nfs/dbraw/zinc/94/88/99/277948899.db2.gz CYMHHTFYFSNDIF-OAUYIBNBSA-N 1 0 275.392 3.230 10 0 CGAERO C[C@@H]([NH2+][C@@H](C)CS(C)(=O)=O)c1ccc(C(C)(C)C)cc1 ZINC000081899442 278363352 /nfs/dbraw/zinc/36/33/52/278363352.db2.gz WKLOHTUOTOUAPI-QWHCGFSZSA-N 1 0 297.464 3.068 10 0 CGAERO CC(C)[C@@H](C(=O)N[C@@H](C)c1ccc(Cl)s1)[C@H](C)[NH3+] ZINC000399494732 288052236 /nfs/dbraw/zinc/05/22/36/288052236.db2.gz HTJIVWSIHRTVQO-HOTUBEGUSA-N 1 0 288.844 3.198 10 0 CGAERO CC(C)CC1(CNC(=O)[C@@]2(C)CCC[NH2+]C2)CCCC1 ZINC000094876200 278745755 /nfs/dbraw/zinc/74/57/55/278745755.db2.gz JOUISRYZTXWLTA-INIZCTEOSA-N 1 0 280.456 3.099 10 0 CGAERO CC(C)CC[NH2+]C[C@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000236728170 278768959 /nfs/dbraw/zinc/76/89/59/278768959.db2.gz MIMYFUVEMVEXGS-LSDHHAIUSA-N 1 0 296.480 3.146 10 0 CGAERO CCOC(C)(C)C[NH2+]C[C@H](C)c1ccc(OC)cc1 ZINC000186540037 279647511 /nfs/dbraw/zinc/64/75/11/279647511.db2.gz GPYGYRRQTTWNMO-ZDUSSCGKSA-N 1 0 265.397 3.203 10 0 CGAERO C[C@@H]1C[N@H+](C[C@H]2CCCC2(F)F)CCC1(F)F ZINC000336254299 288199887 /nfs/dbraw/zinc/19/98/87/288199887.db2.gz UBJGPAUGTXPQEM-NXEZZACHSA-N 1 0 253.283 3.399 10 0 CGAERO Cc1[nH+]ccc(N[C@H]2CCOc3ccccc32)c1Cl ZINC000336818111 280185825 /nfs/dbraw/zinc/18/58/25/280185825.db2.gz UCTFNEQAAVIIAW-LBPRGKRZSA-N 1 0 274.751 3.401 10 0 CGAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CC1CCC(F)(F)CC1 ZINC000459360487 288298122 /nfs/dbraw/zinc/29/81/22/288298122.db2.gz FWQGNDYSMYINIR-HIFRSBDPSA-N 1 0 286.410 3.371 10 0 CGAERO Cc1cccc(N2CCC[C@@H]([NH+]3CCCCCC3)C2)n1 ZINC000157481723 281226528 /nfs/dbraw/zinc/22/65/28/281226528.db2.gz YKQMGVAVIYDUMD-MRXNPFEDSA-N 1 0 273.424 3.235 10 0 CGAERO Cc1cccc([C@@H]2CCCN2CCC[NH+]2CCCC2)n1 ZINC000163348619 281252489 /nfs/dbraw/zinc/25/24/89/281252489.db2.gz MWGSDWPESMJCST-KRWDZBQOSA-N 1 0 273.424 3.013 10 0 CGAERO C[C@H](CC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)C(C)(C)C ZINC000111653116 289413747 /nfs/dbraw/zinc/41/37/47/289413747.db2.gz RQNIIEHMGZMFPW-HIFRSBDPSA-N 1 0 280.456 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QJUAKJWCEKCPER-IUODEOHRSA-N 1 0 276.424 3.145 10 0 CGAERO CCN1CC[C@H]([NH2+][C@@H](C)c2cc3c(s2)CCCC3)C1 ZINC000389547635 328944468 /nfs/dbraw/zinc/94/44/68/328944468.db2.gz MWWKKFBPVZDMLQ-JSGCOSHPSA-N 1 0 278.465 3.372 10 0 CGAERO CC(C)c1ccc([C@@H](C[NH3+])C2(CO)CCCC2)cc1 ZINC000536955376 330383109 /nfs/dbraw/zinc/38/31/09/330383109.db2.gz XPCBFQLWAVIWGN-MRXNPFEDSA-N 1 0 261.409 3.405 10 0 CGAERO CC(C)c1nnc(CN(C)[C@@H](C)c2ccc(F)cc2)n1C ZINC000195042573 336043606 /nfs/dbraw/zinc/04/36/06/336043606.db2.gz OJWUAJPBKGXTJA-LBPRGKRZSA-N 1 0 290.386 3.271 10 0 CGAERO CCCC[NH+](CCCC)Cc1nnc(C(C)C)n1C ZINC000195059199 336044126 /nfs/dbraw/zinc/04/41/26/336044126.db2.gz BEIWGNWUUIHQDJ-UHFFFAOYSA-N 1 0 266.433 3.341 10 0 CGAERO CC(C)[C@@H]1C[NH2+][C@H](C)CN1Cc1c(F)cccc1Cl ZINC000062672660 519804877 /nfs/dbraw/zinc/80/48/77/519804877.db2.gz ADYLUMQWCISIFB-ABAIWWIYSA-N 1 0 284.806 3.297 10 0 CGAERO CC(C)[C@H]1CN(Cc2c(F)cccc2Cl)CCC[NH2+]1 ZINC000062672668 519826866 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ZINC000054558447 519803553 /nfs/dbraw/zinc/80/35/53/519803553.db2.gz QAUPLAGBWVPDNC-OAGGEKHMSA-N 1 0 253.430 3.292 10 0 CGAERO CCC[N@@H+]1C[C@@H](CC(C)C)NC[C@@H]1c1ccccc1 ZINC000062657529 519864583 /nfs/dbraw/zinc/86/45/83/519864583.db2.gz AISWVOLNEZVOIH-IAGOWNOFSA-N 1 0 260.425 3.458 10 0 CGAERO CCC[NH2+]CCCc1cccc(Br)c1 ZINC000052949175 519914286 /nfs/dbraw/zinc/91/42/86/519914286.db2.gz WWTLSYFUGNCWIF-UHFFFAOYSA-N 1 0 256.187 3.381 10 0 CGAERO CCC[NH2+]C[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC000053011296 519922505 /nfs/dbraw/zinc/92/25/05/519922505.db2.gz MTXBERVKZZEOSQ-ZDUSSCGKSA-N 1 0 266.816 3.162 10 0 CGAERO CC(C)n1c2cc(F)ccc2nc1[C@H]1CCC[NH2+]C1 ZINC000052125001 519925127 /nfs/dbraw/zinc/92/51/27/519925127.db2.gz GDPJSOFGTGYPGX-NSHDSACASA-N 1 0 261.344 3.223 10 0 CGAERO CCC[NH2+]C[C@H]1CC[C@@H](CO[C@@H]2CCCC[C@@H]2C)O1 ZINC000052621047 519938707 /nfs/dbraw/zinc/93/87/07/519938707.db2.gz LRGJBZNEHDRFLA-XUWVNRHRSA-N 1 0 269.429 3.129 10 0 CGAERO CC[NH2+]C[C@H]1CCN(c2cc(Cl)cc(Cl)c2)C1 ZINC000053010727 519975443 /nfs/dbraw/zinc/97/54/43/519975443.db2.gz PDVRNMVJIDPAGK-SNVBAGLBSA-N 1 0 273.207 3.429 10 0 CGAERO CCC[NH2+][C@@H](Cc1nc(C)cs1)CC1CCOCC1 ZINC000055269478 520016746 /nfs/dbraw/zinc/01/67/46/520016746.db2.gz HIBSVXJXDZEKJM-CQSZACIVSA-N 1 0 282.453 3.179 10 0 CGAERO CCC[NH2+][C@@H](c1cncc(F)c1)c1ccccc1F ZINC000062774957 520020381 /nfs/dbraw/zinc/02/03/81/520020381.db2.gz DYIXNYLBZYAEFZ-HNNXBMFYSA-N 1 0 262.303 3.449 10 0 CGAERO CC[NH2+]Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000050615494 520023061 /nfs/dbraw/zinc/02/30/61/520023061.db2.gz YJTGRMNIHSMKJP-UHFFFAOYSA-N 1 0 272.135 3.153 10 0 CGAERO CC[NH2+]Cc1sc(N(C)C(CC)CC)nc1CC ZINC000054997679 520033416 /nfs/dbraw/zinc/03/34/16/520033416.db2.gz FBSCFUWBWMPCFW-UHFFFAOYSA-N 1 0 269.458 3.440 10 0 CGAERO CCC[NH2+][C@H](c1cncc(F)c1)c1ccccc1F ZINC000062774956 520091239 /nfs/dbraw/zinc/09/12/39/520091239.db2.gz DYIXNYLBZYAEFZ-OAHLLOKOSA-N 1 0 262.303 3.449 10 0 CGAERO CC[NH2+][C@@H](Cc1csc(C)n1)c1ccc(OC)cc1 ZINC000055295353 520106318 /nfs/dbraw/zinc/10/63/18/520106318.db2.gz UFENXURSQITKLS-HNNXBMFYSA-N 1 0 276.405 3.353 10 0 CGAERO CCCCCN(C)[C@H](C[NH3+])c1ccc(F)cc1C ZINC000050578477 520155724 /nfs/dbraw/zinc/15/57/24/520155724.db2.gz WOKOJCGQFLJJJA-OAHLLOKOSA-N 1 0 252.377 3.256 10 0 CGAERO CC[NH2+][C@H](c1cccnc1)c1cc(Cl)ccc1OC ZINC000055223100 520211813 /nfs/dbraw/zinc/21/18/13/520211813.db2.gz SOPIYBXEGQHEOI-OAHLLOKOSA-N 1 0 276.767 3.443 10 0 CGAERO CCCCC[NH2+]C[C@H](C)OCCOc1ccccc1 ZINC000053551605 520224879 /nfs/dbraw/zinc/22/48/79/520224879.db2.gz RDVJMROLIABFRB-HNNXBMFYSA-N 1 0 265.397 3.250 10 0 CGAERO CCCCN(CCCC)C(=O)[C@H]1[C@H](C)CCC[C@@H]1[NH3+] ZINC000055125910 520492920 /nfs/dbraw/zinc/49/29/20/520492920.db2.gz HCYWCTZLUKLZJF-ILXRZTDVSA-N 1 0 268.445 3.179 10 0 CGAERO CCC[C@@H]1CCc2nc([C@@H]3CCC[NH2+]3)sc2C1 ZINC000053251114 520831106 /nfs/dbraw/zinc/83/11/06/520831106.db2.gz GTDXDKCUOGSAKN-PWSUYJOCSA-N 1 0 250.411 3.473 10 0 CGAERO CCOC(=O)C[C@H](C)C[C@H]([NH3+])c1ccc(C)s1 ZINC000061829432 520867716 /nfs/dbraw/zinc/86/77/16/520867716.db2.gz MXVIHGHNGUVKKJ-KOLCDFICSA-N 1 0 255.383 3.036 10 0 CGAERO CC1CC(C[NH3+])(c2ccccc2Br)C1 ZINC000070068651 520902788 /nfs/dbraw/zinc/90/27/88/520902788.db2.gz GCOCOGVJUYBBRC-UHFFFAOYSA-N 1 0 254.171 3.076 10 0 CGAERO CCC[C@H](C[NH2+]CCOC)Cc1cccc(F)c1 ZINC000054662823 521100867 /nfs/dbraw/zinc/10/08/67/521100867.db2.gz XLMVSUKUMCPNDO-AWEZNQCLSA-N 1 0 253.361 3.021 10 0 CGAERO CCOc1ccc(O[C@@H](C[NH2+]C(C)C)C(C)C)cc1 ZINC000052652176 521181749 /nfs/dbraw/zinc/18/17/49/521181749.db2.gz HVVTWAPOGBXEGB-INIZCTEOSA-N 1 0 265.397 3.487 10 0 CGAERO CCC[C@H]1CC[C@@H](C[NH3+])[C@H](SC2CCOCC2)C1 ZINC000062055186 521212922 /nfs/dbraw/zinc/21/29/22/521212922.db2.gz WFLJLRKGESSEFN-KCQAQPDRSA-N 1 0 271.470 3.442 10 0 CGAERO CCOc1cccc(O[C@@H]([C@H]([NH3+])CC)C(F)(F)F)c1 ZINC000051845749 521403712 /nfs/dbraw/zinc/40/37/12/521403712.db2.gz GJTYGOGTWCVATR-NEPJUHHUSA-N 1 0 277.286 3.132 10 0 CGAERO CCN(Cc1cccs1)[C@H](C)C[NH2+]C(C)(C)C ZINC000052546289 521410791 /nfs/dbraw/zinc/41/07/91/521410791.db2.gz HSQVXQFMYCTOPZ-GFCCVEGCSA-N 1 0 254.443 3.347 10 0 CGAERO CCN(c1cccc(C)c1)[C@]1(C[NH3+])CCCSC1 ZINC000061590101 521494666 /nfs/dbraw/zinc/49/46/66/521494666.db2.gz CHAFOCCKYHLRDO-HNNXBMFYSA-N 1 0 264.438 3.046 10 0 CGAERO CCN(c1nc(C)c(C[NH3+])s1)c1ccc(C)cc1 ZINC000054999673 521503787 /nfs/dbraw/zinc/50/37/87/521503787.db2.gz DKZIWLCNZWPDQJ-UHFFFAOYSA-N 1 0 261.394 3.377 10 0 CGAERO CCCn1cc([C@@H]([NH2+]C)c2ccccc2Cl)cn1 ZINC000050438812 521654759 /nfs/dbraw/zinc/65/47/59/521654759.db2.gz ZCMCSQYURFKBMW-CQSZACIVSA-N 1 0 263.772 3.255 10 0 CGAERO CCc1ccccc1[C@H](CN)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000052203353 521953530 /nfs/dbraw/zinc/95/35/30/521953530.db2.gz HKTYBYYICQDKFK-VBQJREDUSA-N 1 0 260.425 3.227 10 0 CGAERO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1Cl ZINC000054601710 521953675 /nfs/dbraw/zinc/95/36/75/521953675.db2.gz VVAQZEOOKXQASR-GOOCMWNKSA-N 1 0 278.827 3.445 10 0 CGAERO CC[C@@H](C)COc1c(C[C@@H]([NH3+])CC)cccc1OC 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ZINC000050812419 522606402 /nfs/dbraw/zinc/60/64/02/522606402.db2.gz RVFKNHRZMVRLHA-UHFFFAOYSA-N 1 0 255.365 3.064 10 0 CGAERO COc1cc(F)ccc1NCC[C@@H]1CCCC[N@@H+]1C ZINC000052206092 522614490 /nfs/dbraw/zinc/61/44/90/522614490.db2.gz PHEKJPCTGARCHN-ZDUSSCGKSA-N 1 0 266.360 3.121 10 0 CGAERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N1CCC(C)(C)CC1 ZINC000061818563 522649537 /nfs/dbraw/zinc/64/95/37/522649537.db2.gz VCCLPTCIKURJJT-HIFRSBDPSA-N 1 0 264.413 3.488 10 0 CGAERO CC[C@H]([NH2+][C@H](CN(C)C)C(C)C)c1cccs1 ZINC000049197238 522748426 /nfs/dbraw/zinc/74/84/26/522748426.db2.gz ZLZZVDJOGVUVNU-QWHCGFSZSA-N 1 0 254.443 3.375 10 0 CGAERO CN(CC[NH2+]C1CCCCC1)Cc1ccccc1F ZINC000053342600 522864094 /nfs/dbraw/zinc/86/40/94/522864094.db2.gz KISRDOZCDUOMBG-UHFFFAOYSA-N 1 0 264.388 3.180 10 0 CGAERO CC[C@H]1CCN(c2cc(F)c(F)c(F)c2)CCC[NH2+]1 ZINC000061122261 523168018 /nfs/dbraw/zinc/16/80/18/523168018.db2.gz JTIUCIDIBHNUIN-JTQLQIEISA-N 1 0 272.314 3.072 10 0 CGAERO CC[C@H]1CN[C@@H](C(C)C)C[N@@H+]1CCCc1ccccc1 ZINC000068695212 523323004 /nfs/dbraw/zinc/32/30/04/523323004.db2.gz XWBKATIQMCWUGF-ZWKOTPCHSA-N 1 0 274.452 3.328 10 0 CGAERO COc1ccc(Br)cc1C[C@@H]1CCCC[NH2+]1 ZINC000062772416 523502255 /nfs/dbraw/zinc/50/22/55/523502255.db2.gz HEKICCAIIIMNBM-LBPRGKRZSA-N 1 0 284.197 3.142 10 0 CGAERO CC[C@@H]1CSC(N[C@H](C)c2ccccc2F)=[NH+]1 ZINC000049531598 523519821 /nfs/dbraw/zinc/51/98/21/523519821.db2.gz CNDWZSJJGQAJSY-NXEZZACHSA-N 1 0 252.358 3.358 10 0 CGAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@H]2CCCCS2)c1C ZINC000157997228 523667207 /nfs/dbraw/zinc/66/72/07/523667207.db2.gz XCWJOWJJFAVKSL-SMDDNHRTSA-N 1 0 281.469 3.456 10 0 CGAERO CC[C@@]1(c2nc3cc(F)ccc3s2)CCC[NH2+]C1 ZINC000062871478 523748992 /nfs/dbraw/zinc/74/89/92/523748992.db2.gz NENKWACGOSKFOT-CQSZACIVSA-N 1 0 264.369 3.467 10 0 CGAERO COCC[NH2+]CCCO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000053557861 523936096 /nfs/dbraw/zinc/93/60/96/523936096.db2.gz OTPZYFINWBIPMS-ARFHVFGLSA-N 1 0 271.445 3.090 10 0 CGAERO COCCOc1ccc(C[NH2+]CC(C)C)cc1Cl ZINC000062730328 524044458 /nfs/dbraw/zinc/04/44/58/524044458.db2.gz QMSVEJCKZPFGSM-UHFFFAOYSA-N 1 0 271.788 3.111 10 0 CGAERO CCc1cccc(CC)c1NC(=O)C[NH2+][C@H](C)C(C)C ZINC000057848090 524068195 /nfs/dbraw/zinc/06/81/95/524068195.db2.gz HTIBXBCKUOXWOP-CYBMUJFWSA-N 1 0 276.424 3.384 10 0 CGAERO Cc1ccc(CN(C)c2nc3c(s2)[C@@H]([NH3+])CCC3)o1 ZINC000054895449 524402759 /nfs/dbraw/zinc/40/27/59/524402759.db2.gz KUHIHQHPBOCNEB-NSHDSACASA-N 1 0 277.393 3.017 10 0 CGAERO Cc1ccc(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)s1 ZINC000282239127 524575992 /nfs/dbraw/zinc/57/59/92/524575992.db2.gz NYJCVPSBHLXAJF-QWRGUYRKSA-N 1 0 253.411 3.350 10 0 CGAERO COc1ccccc1[C@@H](C[NH3+])SC1CCCC1 ZINC000062829345 524730234 /nfs/dbraw/zinc/73/02/34/524730234.db2.gz RSGJCEQCMDIBBR-CQSZACIVSA-N 1 0 251.395 3.371 10 0 CGAERO C[C@H]([NH3+])[C@H](Oc1cc(F)cc(F)c1)c1ccco1 ZINC000054932332 524853817 /nfs/dbraw/zinc/85/38/17/524853817.db2.gz PKCFPABLJLJRKC-SDBXPKJASA-N 1 0 253.248 3.025 10 0 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259.324 3.365 10 0 CGAERO Cc1ccccc1[C@H]([NH3+])COc1cc(F)cc(F)c1 ZINC000054932853 525423704 /nfs/dbraw/zinc/42/37/04/525423704.db2.gz ZJFJZUZVTYIGGO-OAHLLOKOSA-N 1 0 263.287 3.352 10 0 CGAERO Cc1cc([C@@H](C[NH3+])N(C)CCC(C)C)ccc1F ZINC000050546280 525480218 /nfs/dbraw/zinc/48/02/18/525480218.db2.gz XQMRCICXHKYHEM-OAHLLOKOSA-N 1 0 252.377 3.112 10 0 CGAERO C[C@@H]1C[C@H]1Nc1c(N)c[nH+]c2ccc(Br)cc21 ZINC000052274322 525499546 /nfs/dbraw/zinc/49/95/46/525499546.db2.gz KLUDIFJLZMQYRY-JMCQJSRRSA-N 1 0 292.180 3.400 10 0 CGAERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1csc(Cl)c1Cl ZINC000309042137 525575583 /nfs/dbraw/zinc/57/55/83/525575583.db2.gz LVIROOGUTAIGMQ-XPUUQOCRSA-N 1 0 266.193 3.322 10 0 CGAERO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cc(C(N)=S)ccc1F ZINC000050564859 525639271 /nfs/dbraw/zinc/63/92/71/525639271.db2.gz DPUDVAQLMBQFPQ-WDEREUQCSA-N 1 0 280.412 3.080 10 0 CGAERO COc1cccc(N(C)c2ccc(C[NH3+])c(C)c2)c1 ZINC000050584862 526131435 /nfs/dbraw/zinc/13/14/35/526131435.db2.gz NRNSQPZQWUHXNJ-UHFFFAOYSA-N 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ZINC000180520848 618880201 /nfs/dbraw/zinc/88/02/01/618880201.db2.gz XWEJAFFBFXHHJX-CHWSQXEVSA-N 1 0 272.433 3.314 10 0 CGAERO COCCC[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1F ZINC000395428319 619005458 /nfs/dbraw/zinc/00/54/58/619005458.db2.gz CRMYRVYFYNQIRI-WDEREUQCSA-N 1 0 257.324 3.431 10 0 CGAERO FCC[C@H]1CCC[C@@H]1[NH2+]CCSC(F)(F)F ZINC000309571564 619039732 /nfs/dbraw/zinc/03/97/32/619039732.db2.gz NAQNKKHSVKOBBO-BDAKNGLRSA-N 1 0 259.312 3.357 10 0 CGAERO CCCC[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC000310003872 619067075 /nfs/dbraw/zinc/06/70/75/619067075.db2.gz SPUXJTLQGXEAAM-CHWSQXEVSA-N 1 0 272.433 3.410 10 0 CGAERO CC(C)[C@@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195184482 619147458 /nfs/dbraw/zinc/14/74/58/619147458.db2.gz MKZLACFVQGGVJJ-CZUORRHYSA-N 1 0 284.444 3.268 10 0 CGAERO C(C[C@@H]1CCCO1)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000094368943 619249327 /nfs/dbraw/zinc/24/93/27/619249327.db2.gz PEBQUNDEAMXOPK-GJZGRUSLSA-N 1 0 267.413 3.027 10 0 CGAERO CCCCCC(C)(C)CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000094988666 619267771 /nfs/dbraw/zinc/26/77/71/619267771.db2.gz NHCQEKXWWLQTTN-CQSZACIVSA-N 1 0 268.445 3.099 10 0 CGAERO Cc1noc2ncc(CN3CCC[C@H]3c3ccco3)cc12 ZINC000894021663 619351815 /nfs/dbraw/zinc/35/18/15/619351815.db2.gz POWWEBLBTPMQNE-AWEZNQCLSA-N 1 0 283.331 3.461 10 0 CGAERO CN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(C(C)(C)C)cc1 ZINC000237070968 619441729 /nfs/dbraw/zinc/44/17/29/619441729.db2.gz OBYLFBRQIBDFKX-HIFRSBDPSA-N 1 0 288.435 3.464 10 0 CGAERO CCC[C@@H](C)C[NH2+]C(C)(C)CNC(=O)OC(C)(C)C ZINC000225040289 622894631 /nfs/dbraw/zinc/89/46/31/622894631.db2.gz XMMHKMPZYDAGBJ-GFCCVEGCSA-N 1 0 272.433 3.316 10 0 CGAERO Cc1cc2ccccc2nc1NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000227649848 623026462 /nfs/dbraw/zinc/02/64/62/623026462.db2.gz SLIBNSNXGPIJFT-OCCSQVGLSA-N 1 0 255.365 3.083 10 0 CGAERO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000230168036 623213521 /nfs/dbraw/zinc/21/35/21/623213521.db2.gz HPFQIGSYGYXZCA-LSDHHAIUSA-N 1 0 294.439 3.189 10 0 CGAERO CC(C)C[C@H](C)[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000230393733 623235788 /nfs/dbraw/zinc/23/57/88/623235788.db2.gz AAIOSJWZUYUDIV-UONOGXRCSA-N 1 0 284.444 3.268 10 0 CGAERO CCSc1ccc(-c2noc([C@H]3CC[C@@H]([NH3+])C3)n2)cc1 ZINC000233836393 624649079 /nfs/dbraw/zinc/64/90/79/624649079.db2.gz FMKZIINXGVONKR-NWDGAFQWSA-N 1 0 289.404 3.443 10 0 CGAERO C[C@@H]1C[NH+](C[C@H](O)c2ccc3ccccc3c2)C[C@H]1C ZINC000076114038 625050900 /nfs/dbraw/zinc/05/09/00/625050900.db2.gz YJEWSKLXEXBENR-LBTNJELSSA-N 1 0 269.388 3.461 10 0 CGAERO CC(C)Cc1ccc([C@H](C)[NH2+]C[C@H](O)C2CC2)cc1 ZINC000071299803 625075651 /nfs/dbraw/zinc/07/56/51/625075651.db2.gz HJPRKJDXBWCINW-GUYCJALGSA-N 1 0 261.409 3.307 10 0 CGAERO CCCCC[C@@H](C)NC(=O)C[NH2+][C@H](C)c1cccs1 ZINC000183604800 625097324 /nfs/dbraw/zinc/09/73/24/625097324.db2.gz WNOGZMBJJHIRGA-CHWSQXEVSA-N 1 0 282.453 3.484 10 0 CGAERO CCCCC[C@H](C)NC(=O)C[NH2+][C@H](C)c1cccs1 ZINC000183604816 625097378 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CC(C)(C)OC(=O)N1CC[C@H]([NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000219322061 346294870 /nfs/dbraw/zinc/29/48/70/346294870.db2.gz QIRIQQGQNSXUCF-QWHCGFSZSA-N 1 0 296.798 3.349 10 0 CGAERO C[C@@H]([NH3+])c1ncc(-c2cccc(Cl)c2Cl)cn1 ZINC000222607954 346299482 /nfs/dbraw/zinc/29/94/82/346299482.db2.gz HRFMMVUOKYYHHU-SSDOTTSWSA-N 1 0 268.147 3.470 10 0 CGAERO CC(=O)NC(C)(C)C[C@@H](C1CCCCC1)C1CC[NH2+]CC1 ZINC000224709233 346302458 /nfs/dbraw/zinc/30/24/58/346302458.db2.gz BRGMIZTVQUBRCU-KRWDZBQOSA-N 1 0 294.483 3.487 10 0 CGAERO CCCn1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cn1 ZINC000227281742 346309349 /nfs/dbraw/zinc/30/93/49/346309349.db2.gz LKIJWEMGPOAEBH-UHFFFAOYSA-N 1 0 273.424 3.207 10 0 CGAERO C[NH2+][C@@H]1C[C@H](c2cc(Br)cs2)[C@@H]1C ZINC000229871032 346318957 /nfs/dbraw/zinc/31/89/57/346318957.db2.gz SXVXVNYOIOLPJS-CNUIFLNQSA-N 1 0 260.200 3.222 10 0 CGAERO c1ccc(CNC2=[NH+][C@@H]3CCCC[C@@H]3CS2)cc1 ZINC000231331717 346323005 /nfs/dbraw/zinc/32/30/05/346323005.db2.gz XYAYKXXKMMJQKW-ZIAGYGMSSA-N 1 0 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GORICNHZWFTIGS-OAHLLOKOSA-N 1 0 295.471 3.081 10 0 CGAERO Cn1cc([C@H]2CC[N@H+](CC3CCC(C)(C)CC3)C2)cn1 ZINC000128454209 138393786 /nfs/dbraw/zinc/39/37/86/138393786.db2.gz DLKKTAQZKQSOAR-HNNXBMFYSA-N 1 0 275.440 3.426 10 0 CGAERO CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CC[C@@H](C)O2)c1 ZINC000129925964 138398670 /nfs/dbraw/zinc/39/86/70/138398670.db2.gz ZDHXZPYUPBZTKH-CJNGLKHVSA-N 1 0 290.407 3.034 10 0 CGAERO Cc1ccc(NC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)c(F)c1 ZINC000130113180 138399024 /nfs/dbraw/zinc/39/90/24/138399024.db2.gz VZGDYMRFILUTRC-LRDDRELGSA-N 1 0 286.350 3.409 10 0 CGAERO C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[C@H]([NH3+])c1ccccc1 ZINC000130052027 138399252 /nfs/dbraw/zinc/39/92/52/138399252.db2.gz PPXXJKVBXUANCG-BMIGLBTASA-N 1 0 290.313 3.239 10 0 CGAERO Cc1ccc(NC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)cc1F ZINC000130079620 138399347 /nfs/dbraw/zinc/39/93/47/138399347.db2.gz GLRIYEKQONOPDD-WBMJQRKESA-N 1 0 286.350 3.409 10 0 CGAERO COc1cc(C[NH2+][C@H]2CCOc3c(C)cccc32)ccc1O ZINC000195001917 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CC[N@@H+]1CCC[C@@H]1CN(C)Cc1nc(C(C)(C)C)cs1 ZINC000122680216 287211490 /nfs/dbraw/zinc/21/14/90/287211490.db2.gz XOOHCCUDYYYSMO-CYBMUJFWSA-N 1 0 295.496 3.357 10 0 CGAERO Cc1cnn(CC[NH2+][C@@H]2c3cccc(F)c3CC[C@@H]2C)c1 ZINC000123903003 287226691 /nfs/dbraw/zinc/22/66/91/287226691.db2.gz MKQYFPRISHTQFB-GUYCJALGSA-N 1 0 287.382 3.244 10 0 CGAERO c1ccc(CC[NH2+]C[C@H]2CCc3ccccc3N2)cc1 ZINC000005162341 170072605 /nfs/dbraw/zinc/07/26/05/170072605.db2.gz SDDCXRABBOAPJP-QGZVFWFLSA-N 1 0 266.388 3.246 10 0 CGAERO CCC(=O)O[C@]1(c2ccccc2)CC[N@@H+]2CCCC[C@H]2C1 ZINC000005497953 170104683 /nfs/dbraw/zinc/10/46/83/170104683.db2.gz LHHMEVNXCJLHKP-FUHWJXTLSA-N 1 0 287.403 3.483 10 0 CGAERO COc1ccc([C@@H](Oc2ccccc2)C2=[NH+]CCCN2)cc1 ZINC000006018418 170168741 /nfs/dbraw/zinc/16/87/41/170168741.db2.gz MZYHYIBCEPKOOT-QGZVFWFLSA-N 1 0 296.370 3.207 10 0 CGAERO C[C@H]1CCCC[N@@H+]1CCCOC(=O)c1cccs1 ZINC000006037522 170170167 /nfs/dbraw/zinc/17/01/67/170170167.db2.gz WYDBQEACYWRGIP-LBPRGKRZSA-N 1 0 267.394 3.169 10 0 CGAERO C[NH2+]CCc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000006228532 170183997 /nfs/dbraw/zinc/18/39/97/170183997.db2.gz BTCQBQZCYIAVRM-UHFFFAOYSA-N 1 0 276.449 3.373 10 0 CGAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCNC(=O)c1ccco1 ZINC000124505598 287234162 /nfs/dbraw/zinc/23/41/62/287234162.db2.gz ZZOZHPOGPFZBQF-ZIAGYGMSSA-N 1 0 292.423 3.204 10 0 CGAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCNC(=O)c1ccco1 ZINC000124505346 287234232 /nfs/dbraw/zinc/23/42/32/287234232.db2.gz ZZOZHPOGPFZBQF-KBPBESRZSA-N 1 0 292.423 3.204 10 0 CGAERO C[C@@H]([NH3+])Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000011595465 170424605 /nfs/dbraw/zinc/42/46/05/170424605.db2.gz DCESSKMKHAHVNQ-MRVPVSSYSA-N 1 0 252.770 3.353 10 0 CGAERO CC(C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1Cl ZINC000012670694 170503359 /nfs/dbraw/zinc/50/33/59/170503359.db2.gz VVCQOTMAERGNEQ-QWRGUYRKSA-N 1 0 268.788 3.301 10 0 CGAERO Cc1cc(C)cc(O[C@H]2COc3ccccc3[C@H]2[NH3+])c1 ZINC000019263199 170763009 /nfs/dbraw/zinc/76/30/09/170763009.db2.gz PWWUWPGYSLKIQK-DLBZAZTESA-N 1 0 269.344 3.143 10 0 CGAERO COc1ccc(OC)c([C@H]([NH3+])c2cccc(C)c2)c1 ZINC000019967579 170949433 /nfs/dbraw/zinc/94/94/33/170949433.db2.gz SOSWGZAOJALENM-MRXNPFEDSA-N 1 0 257.333 3.060 10 0 CGAERO Cc1ccc(C)c([C@@H]([NH3+])[C@H]2COc3ccccc3O2)c1 ZINC000019971580 170955224 /nfs/dbraw/zinc/95/52/24/170955224.db2.gz XMRZJCOTLHHGKG-IAGOWNOFSA-N 1 0 269.344 3.143 10 0 CGAERO CCC[C@@H](C)C[NH2+]CCCn1cnc2ccccc21 ZINC000020130357 171019512 /nfs/dbraw/zinc/01/95/12/171019512.db2.gz SMVLYCPJQLPXJV-CQSZACIVSA-N 1 0 259.397 3.452 10 0 CGAERO CC(C)[C@H](C[NH2+][C@H](C)c1ccc(F)cc1)N(C)C ZINC000020145650 171031023 /nfs/dbraw/zinc/03/10/23/171031023.db2.gz VORHBVSLSGECOG-DOMZBBRYSA-N 1 0 252.377 3.063 10 0 CGAERO CCOc1cc(C[NH2+]CCCOCC(C)C)ccc1OC ZINC000020147357 171033999 /nfs/dbraw/zinc/03/39/99/171033999.db2.gz BJUOJFNCNFVGEK-UHFFFAOYSA-N 1 0 295.423 3.246 10 0 CGAERO C[C@@H]([NH2+][C@H]1COc2cc(O)ccc21)c1cccs1 ZINC000020148466 171037021 /nfs/dbraw/zinc/03/70/21/171037021.db2.gz XCVFRULJZHZTLS-SKDRFNHKSA-N 1 0 261.346 3.238 10 0 CGAERO CN(Cc1ccccc1F)[C@H](C[NH3+])c1cccs1 ZINC000020225315 171087151 /nfs/dbraw/zinc/08/71/51/171087151.db2.gz RTVKLQXVJKGISA-CYBMUJFWSA-N 1 0 264.369 3.019 10 0 CGAERO COc1cccc([C@@H](CN)[N@H+](C)CC2CCCCC2)c1 ZINC000020225834 171090097 /nfs/dbraw/zinc/09/00/97/171090097.db2.gz KRLVCGDCMPZPDT-QGZVFWFLSA-N 1 0 276.424 3.207 10 0 CGAERO CN(CC(C)(C)C)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000020226033 171090552 /nfs/dbraw/zinc/09/05/52/171090552.db2.gz JHUMDIGHVDFUIW-CYBMUJFWSA-N 1 0 254.805 3.318 10 0 CGAERO COc1ccc(CN(CCC[NH3+])c2ccccc2)cc1 ZINC000020236896 171095907 /nfs/dbraw/zinc/09/59/07/171095907.db2.gz BRDGUTQKXFNJIE-UHFFFAOYSA-N 1 0 270.376 3.051 10 0 CGAERO [NH3+]C[C@H](c1ccc(Cl)c(Cl)c1)N1CCSCC1 ZINC000020257059 171112119 /nfs/dbraw/zinc/11/21/19/171112119.db2.gz BTHAEIUKBVFRJE-GFCCVEGCSA-N 1 0 291.247 3.042 10 0 CGAERO Cc1ccc([C@H]([NH3+])Cn2ccnc2C(C)C)cc1C ZINC000020261800 171118933 /nfs/dbraw/zinc/11/89/33/171118933.db2.gz KFLSBQYJIKGHTD-OAHLLOKOSA-N 1 0 257.381 3.323 10 0 CGAERO CCc1cccc(O[C@H]2Cc3ccccc3[C@H]2[NH3+])c1 ZINC000020263167 171120407 /nfs/dbraw/zinc/12/04/07/171120407.db2.gz WKPSQLLXKDKZJT-DLBZAZTESA-N 1 0 253.345 3.253 10 0 CGAERO NC(=[NH2+])c1ccccc1Oc1cccc2cccnc21 ZINC000020297081 171137481 /nfs/dbraw/zinc/13/74/81/171137481.db2.gz YDHUDJKOZULMJW-UHFFFAOYSA-N 1 0 263.300 3.311 10 0 CGAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC000020364183 171163145 /nfs/dbraw/zinc/16/31/45/171163145.db2.gz UXHMQXCCWGCTHH-NSHDSACASA-N 1 0 282.815 3.123 10 0 CGAERO [NH3+]C1(CCOc2ccc(Br)cc2)CCCC1 ZINC000020398848 171181611 /nfs/dbraw/zinc/18/16/11/171181611.db2.gz AHVUSGQPTHZWSR-UHFFFAOYSA-N 1 0 284.197 3.490 10 0 CGAERO Cc1ccc([C@H]([NH3+])Cc2nc3ccccc3o2)cc1 ZINC000020427774 171193541 /nfs/dbraw/zinc/19/35/41/171193541.db2.gz PSNPTSBVXDTIIN-CYBMUJFWSA-N 1 0 252.317 3.379 10 0 CGAERO Cc1ccc(NC(=O)[C@@H]([NH3+])Cc2ccccc2)c(Cl)c1 ZINC000020471417 171214091 /nfs/dbraw/zinc/21/40/91/171214091.db2.gz NCHXKEMKRMTLHJ-AWEZNQCLSA-N 1 0 288.778 3.157 10 0 CGAERO [NH3+]CCCCCCC(=O)Nc1cccc(Cl)c1F ZINC000020472568 171215468 /nfs/dbraw/zinc/21/54/68/171215468.db2.gz SDUXDKKMSULBKJ-UHFFFAOYSA-N 1 0 272.751 3.327 10 0 CGAERO O[C@@H]1CCCC[C@@H]1[N@H+]1CC=C(c2ccccc2)CC1 ZINC000020509811 171230024 /nfs/dbraw/zinc/23/00/24/171230024.db2.gz NJNHOOFGKCHIFQ-DLBZAZTESA-N 1 0 257.377 3.079 10 0 CGAERO C[C@H]1CCCC[C@@]1(C[NH3+])N(C)Cc1cccc(F)c1 ZINC000020548044 171245313 /nfs/dbraw/zinc/24/53/13/171245313.db2.gz FIIYADSYLIPFNX-BBRMVZONSA-N 1 0 264.388 3.165 10 0 CGAERO CCC[C@@H]([NH3+])c1cc(Br)ccc1OC ZINC000020586688 171259405 /nfs/dbraw/zinc/25/94/05/171259405.db2.gz VYVLZESZPFTCJE-SNVBAGLBSA-N 1 0 258.159 3.258 10 0 CGAERO C[C@H]([NH3+])[C@H]1C[C@@H]1c1ccc(F)c(Br)c1 ZINC000020594573 171263578 /nfs/dbraw/zinc/26/35/78/171263578.db2.gz TUIRCFAMGFAVKY-NBEYISGCSA-N 1 0 258.134 3.039 10 0 CGAERO CCCOc1cccc(C[NH2+]Cc2ccncc2)c1 ZINC000020925076 171279749 /nfs/dbraw/zinc/27/97/49/171279749.db2.gz AMDFREKNWRBLCF-UHFFFAOYSA-N 1 0 256.349 3.160 10 0 CGAERO CCCOc1ccc2ccccc2c1C[NH2+][C@@H](CC)CO ZINC000020930553 171280886 /nfs/dbraw/zinc/28/08/86/171280886.db2.gz XJFFLMNLRPCPLU-HNNXBMFYSA-N 1 0 287.403 3.489 10 0 CGAERO CCN(CC)CC[NH2+]CCc1ccc(Cl)cc1Cl ZINC000021508716 171309289 /nfs/dbraw/zinc/30/92/89/171309289.db2.gz FSJMJLVMXNLBHL-UHFFFAOYSA-N 1 0 289.250 3.467 10 0 CGAERO CC(C)[C@@H](C[NH2+][C@H]1CCCC[C@@H]1C)N1CCCC1 ZINC000021513341 171311347 /nfs/dbraw/zinc/31/13/47/171311347.db2.gz IAJNSFCJCVCRLM-HRCADAONSA-N 1 0 252.446 3.275 10 0 CGAERO CC(C)Oc1ccc([C@H](N)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000021788277 171323051 /nfs/dbraw/zinc/32/30/51/171323051.db2.gz IENJYVMKIFUDES-RVKKMQEKSA-N 1 0 290.451 3.452 10 0 CGAERO CC[C@H](c1cccc(Br)c1)N1CCC[NH2+]CC1 ZINC000022127582 171354799 /nfs/dbraw/zinc/35/47/99/171354799.db2.gz TYXTVNISPOJGPA-CQSZACIVSA-N 1 0 297.240 3.196 10 0 CGAERO Cc1c(N)cccc1NC(=O)CCC[N@H+]1CCC[C@H](C)C1 ZINC000022155581 171362565 /nfs/dbraw/zinc/36/25/65/171362565.db2.gz BPEYSIXCOFRLEB-ZDUSSCGKSA-N 1 0 289.423 3.028 10 0 CGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCCC(=O)Nc1cccc(N)c1 ZINC000022169768 171367853 /nfs/dbraw/zinc/36/78/53/171367853.db2.gz VOVIXSAYESXDLD-OKILXGFUSA-N 1 0 289.423 3.250 10 0 CGAERO Cc1ccc(C(=O)Nc2ccccc2[C@@H](C)[NH3+])cc1F ZINC000022173258 171369315 /nfs/dbraw/zinc/36/93/15/171369315.db2.gz XRUCVOPCHGHHTG-LLVKDONJSA-N 1 0 272.323 3.406 10 0 CGAERO C[C@H]1C[C@@H]1c1ccc([C@@H](C[NH3+])N2CCCC[C@@H]2C)o1 ZINC000022223307 171379080 /nfs/dbraw/zinc/37/90/80/171379080.db2.gz HQHQPJSFLDSFMT-XDQVBPFNSA-N 1 0 262.397 3.277 10 0 CGAERO CC(C)[NH2+]Cc1ccc(OCc2cccnc2)cc1 ZINC000034653438 171847997 /nfs/dbraw/zinc/84/79/97/171847997.db2.gz WOEZXSLMSKDHSC-UHFFFAOYSA-N 1 0 256.349 3.159 10 0 CGAERO C[C@@H]1CCC[C@@H](OCc2cc(C[NH3+])ccc2F)C1 ZINC000034958149 171904104 /nfs/dbraw/zinc/90/41/04/171904104.db2.gz ZQPWZKQLSYFYPJ-BXUZGUMPSA-N 1 0 251.345 3.380 10 0 CGAERO CC[C@H](C)[NH2+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000035159800 172017461 /nfs/dbraw/zinc/01/74/61/172017461.db2.gz DPOZZGBKDKKLDG-QMMMGPOBSA-N 1 0 275.179 3.320 10 0 CGAERO O=C(C[NH2+]CC1CCCCC1)Nc1c(F)cccc1F ZINC000035159844 172018157 /nfs/dbraw/zinc/01/81/57/172018157.db2.gz DRYUXEWEMUWGTF-UHFFFAOYSA-N 1 0 282.334 3.073 10 0 CGAERO O=C(C[NH2+][C@H]1CCCc2ccccc21)N1CCCCCC1 ZINC000035179217 172032801 /nfs/dbraw/zinc/03/28/01/172032801.db2.gz ACBQPERPVXAZBZ-KRWDZBQOSA-N 1 0 286.419 3.056 10 0 CGAERO CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H]1CCSc2ccccc21 ZINC000035224761 172069614 /nfs/dbraw/zinc/06/96/14/172069614.db2.gz PLMOJLSBLSJLMZ-TZMCWYRMSA-N 1 0 292.448 3.070 10 0 CGAERO COc1cccc(C[NH3+])c1OCc1cccc(C)c1 ZINC000035413030 172184956 /nfs/dbraw/zinc/18/49/56/172184956.db2.gz JKTJSVYHTYLRII-UHFFFAOYSA-N 1 0 257.333 3.041 10 0 CGAERO CC[C@@H]([NH2+]C)c1cc(Br)ccc1OC ZINC000035456132 172206983 /nfs/dbraw/zinc/20/69/83/172206983.db2.gz IJGHDVAXMYGLMI-SNVBAGLBSA-N 1 0 258.159 3.128 10 0 CGAERO C[NH2+][C@H](CC(F)(F)F)c1ccc(CCOC)cc1 ZINC000035467586 172215750 /nfs/dbraw/zinc/21/57/50/172215750.db2.gz ZUWQNTGGMIAHAM-GFCCVEGCSA-N 1 0 261.287 3.088 10 0 CGAERO C[NH2+][C@H](c1cccc(F)c1)c1ccc(F)cc1F ZINC000035491988 172226551 /nfs/dbraw/zinc/22/65/51/172226551.db2.gz SBNXQAFEOQGQMG-CQSZACIVSA-N 1 0 251.251 3.413 10 0 CGAERO CCC[C@H]([NH2+]C)c1cc2c(cc1Cl)OCCO2 ZINC000035501340 172235877 /nfs/dbraw/zinc/23/58/77/172235877.db2.gz KTRMLZXIKQKVFE-NSHDSACASA-N 1 0 255.745 3.172 10 0 CGAERO C[NH2+][C@H](CC(F)(F)F)c1ccc2c(c1)C[C@@H](C)O2 ZINC000035505303 172238393 /nfs/dbraw/zinc/23/83/93/172238393.db2.gz OYPAEEMJQJYMKR-LDYMZIIASA-N 1 0 259.271 3.223 10 0 CGAERO CC[NH2+][C@H](c1ccsc1)c1ccc2c(c1)CCO2 ZINC000035542147 172250084 /nfs/dbraw/zinc/25/00/84/172250084.db2.gz LYHICKOJDNMEOY-HNNXBMFYSA-N 1 0 259.374 3.382 10 0 CGAERO CC[NH2+][C@@H](c1cnn(C)c1)c1cc(Cl)ccc1Cl ZINC000035556219 172262946 /nfs/dbraw/zinc/26/29/46/172262946.db2.gz QLXTWSPBUTZNLC-ZDUSSCGKSA-N 1 0 284.190 3.426 10 0 CGAERO CC[NH2+][C@H](Cc1ncc[nH]1)c1cccc(Br)c1 ZINC000035570169 172265239 /nfs/dbraw/zinc/26/52/39/172265239.db2.gz OLGHWUAQTSPKMJ-GFCCVEGCSA-N 1 0 294.196 3.066 10 0 CGAERO CCC[NH2+][C@H](c1ccncc1)c1ccc(OC)cc1 ZINC000035576423 172272956 /nfs/dbraw/zinc/27/29/56/172272956.db2.gz WAJJGTOZEZAQGI-INIZCTEOSA-N 1 0 256.349 3.179 10 0 CGAERO CCC[NH2+][C@@H](c1ccc2c(c1)CCC(=O)N2)C1CC1 ZINC000035581762 172278525 /nfs/dbraw/zinc/27/85/25/172278525.db2.gz IXVACIAIYUPCQC-MRXNPFEDSA-N 1 0 258.365 3.022 10 0 CGAERO CCC[NH2+][C@@H](c1ccc(F)c(F)c1)[C@@H]1CCCO1 ZINC000035582483 172280328 /nfs/dbraw/zinc/28/03/28/172280328.db2.gz TUEYIOZCTADSNS-KBPBESRZSA-N 1 0 255.308 3.185 10 0 CGAERO CCC[NH2+][C@@H](C)c1cc2c(cc1Cl)OCCO2 ZINC000035584755 172283911 /nfs/dbraw/zinc/28/39/11/172283911.db2.gz OTDHAGRICFHFON-VIFPVBQESA-N 1 0 255.745 3.172 10 0 CGAERO CCC[NH2+][C@@H](C)c1cc(OC)c(OC)cc1Cl ZINC000035584699 172284005 /nfs/dbraw/zinc/28/40/05/172284005.db2.gz JQIIBKCMHSJLEW-VIFPVBQESA-N 1 0 257.761 3.418 10 0 CGAERO CCC[NH2+][C@@H](Cc1ncc[nH]1)c1ccc(C)c(C)c1 ZINC000035586647 172285952 /nfs/dbraw/zinc/28/59/52/172285952.db2.gz LOMIHFBEHQNGOX-HNNXBMFYSA-N 1 0 257.381 3.310 10 0 CGAERO CCC(CC)NC(=O)[C@H](C)Oc1ccc(C)cc1[C@@H](C)[NH3+] ZINC000035629287 172308714 /nfs/dbraw/zinc/30/87/14/172308714.db2.gz PUYXHEPJDCAHNV-OLZOCXBDSA-N 1 0 292.423 3.087 10 0 CGAERO [NH3+]Cc1c(OCC(F)(F)F)ccc2ccccc21 ZINC000035630605 172312557 /nfs/dbraw/zinc/31/25/57/172312557.db2.gz HRUVELVGRQQBBS-UHFFFAOYSA-N 1 0 255.239 3.240 10 0 CGAERO CCC1CCC(C[NH3+])(N(C)Cc2cccs2)CC1 ZINC000035717183 172371120 /nfs/dbraw/zinc/37/11/20/172371120.db2.gz MXDNVDQSTXGHMJ-UHFFFAOYSA-N 1 0 266.454 3.478 10 0 CGAERO CN(Cc1ccsc1)[C@@H](C[NH3+])c1cc(F)ccc1F ZINC000035718942 172372979 /nfs/dbraw/zinc/37/29/79/172372979.db2.gz LYFGKGDVXNUEAP-AWEZNQCLSA-N 1 0 282.359 3.158 10 0 CGAERO [NH3+]CCCc1ncc(-c2ccc(Br)s2)o1 ZINC000036177206 172496466 /nfs/dbraw/zinc/49/64/66/172496466.db2.gz FDVOUNQSDWVMER-UHFFFAOYSA-N 1 0 287.182 3.057 10 0 CGAERO CC[NH2+][C@@H](C)c1ccccc1SCCC(=O)OC ZINC000036336499 172620451 /nfs/dbraw/zinc/62/04/51/172620451.db2.gz WKHUONRYILKNHG-NSHDSACASA-N 1 0 267.394 3.012 10 0 CGAERO CC(C)[C@H]([NH3+])CCc1ccc(Br)cc1 ZINC000036684005 172654960 /nfs/dbraw/zinc/65/49/60/172654960.db2.gz DGZIAIVUWOZXCP-GFCCVEGCSA-N 1 0 256.187 3.365 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000126684100 287270751 /nfs/dbraw/zinc/27/07/51/287270751.db2.gz FBBGPXIBKVDTRZ-DLBZAZTESA-N 1 0 294.870 3.373 10 0 CGAERO O[C@H]1CCC[C@@H]([NH2+][C@@H]2CCCCc3ccccc32)C1 ZINC000037165797 173000717 /nfs/dbraw/zinc/00/07/17/173000717.db2.gz NTIXHPZIZCXCLC-HLLBOEOZSA-N 1 0 259.393 3.347 10 0 CGAERO [NH3+]C[C@@H](Oc1ccc(Cl)cc1Cl)C(F)(F)F ZINC000037169988 173004189 /nfs/dbraw/zinc/00/41/89/173004189.db2.gz NLYZXOITCUHFSQ-MRVPVSSYSA-N 1 0 274.069 3.262 10 0 CGAERO CCOc1ccccc1[C@H](C[NH3+])N(C)C[C@@H](C)CC ZINC000037172621 173006487 /nfs/dbraw/zinc/00/64/87/173006487.db2.gz NGDXPJGFHWUMAJ-ZFWWWQNUSA-N 1 0 264.413 3.063 10 0 CGAERO CCCCC[C@@H]([NH2+]CCNC(C)=O)c1ccccc1 ZINC000037235672 173053119 /nfs/dbraw/zinc/05/31/19/173053119.db2.gz GWHYKOCMWVBYIQ-MRXNPFEDSA-N 1 0 262.397 3.034 10 0 CGAERO C[C@H]([NH2+][C@H](c1cccs1)C1CCCC1)C(=O)N(C)C ZINC000037268208 173078654 /nfs/dbraw/zinc/07/86/54/173078654.db2.gz MNSQQIAOAGNCSO-FZMZJTMJSA-N 1 0 280.437 3.046 10 0 CGAERO CC(C)(C)n1c2ccccc2nc1[C@H]1CCC[NH2+]C1 ZINC000037323678 173124328 /nfs/dbraw/zinc/12/43/28/173124328.db2.gz FTXPLVXARDYONO-LBPRGKRZSA-N 1 0 257.381 3.258 10 0 CGAERO Cc1ccc2c(c1)nc(-c1ccc(C[NH3+])cc1)n2C ZINC000037437758 173207981 /nfs/dbraw/zinc/20/79/81/173207981.db2.gz XFQJZQJOCOOSPY-UHFFFAOYSA-N 1 0 251.333 3.007 10 0 CGAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(SC(F)F)cc1 ZINC000037508572 173242516 /nfs/dbraw/zinc/24/25/16/173242516.db2.gz YEFDQIKRKMWTDI-LDYMZIIASA-N 1 0 288.363 3.313 10 0 CGAERO [NH3+][C@@H](CCOc1ccccc1)Cc1ccc(F)cc1 ZINC000037533064 173253753 /nfs/dbraw/zinc/25/37/53/173253753.db2.gz JXTJILRFVAJDJA-HNNXBMFYSA-N 1 0 259.324 3.165 10 0 CGAERO CCC[NH2+][C@@H](c1ccncc1)c1ccccc1OC ZINC000037534707 173254230 /nfs/dbraw/zinc/25/42/30/173254230.db2.gz AKOVHNKCFZSROO-INIZCTEOSA-N 1 0 256.349 3.179 10 0 CGAERO C[NH2+][C@@H](Cc1ccccc1Br)c1cccnc1 ZINC000037534573 173254690 /nfs/dbraw/zinc/25/46/90/173254690.db2.gz OOSQARHFQDJZLM-AWEZNQCLSA-N 1 0 291.192 3.347 10 0 CGAERO CCN(Cc1ccc(F)cc1Cl)C1CC[NH2+]CC1 ZINC000037538120 173257377 /nfs/dbraw/zinc/25/73/77/173257377.db2.gz MPWXAUAKQXAFBE-UHFFFAOYSA-N 1 0 270.779 3.053 10 0 CGAERO CC[C@H]([NH3+])c1ccccc1OCCc1ccncc1 ZINC000037662744 173608427 /nfs/dbraw/zinc/60/84/27/173608427.db2.gz IGJWVWCALPBLPO-HNNXBMFYSA-N 1 0 256.349 3.113 10 0 CGAERO C[C@H](Cc1ccccc1Cl)[NH2+][C@H](C)c1cc[nH]n1 ZINC000037907282 173840008 /nfs/dbraw/zinc/84/00/08/173840008.db2.gz IWQSCMQVGDRXTG-GHMZBOCLSA-N 1 0 263.772 3.345 10 0 CGAERO CCCCC[NH2+]Cc1cccc(NC(=O)C(F)(F)F)c1 ZINC000038003554 173965212 /nfs/dbraw/zinc/96/52/12/173965212.db2.gz PKXSSXJHTYXKQJ-UHFFFAOYSA-N 1 0 288.313 3.467 10 0 CGAERO CCCCCC[C@H](C)[NH2+]CCC(=O)N[C@@H](C)CC ZINC000038013466 173983696 /nfs/dbraw/zinc/98/36/96/173983696.db2.gz OEDLMVPEDQWNIR-KBPBESRZSA-N 1 0 256.434 3.240 10 0 CGAERO C[NH2+][C@@H](c1ccsc1)c1ccc2c(c1)CCCO2 ZINC000038057893 174067952 /nfs/dbraw/zinc/06/79/52/174067952.db2.gz NDNDIICHWMRZPS-OAHLLOKOSA-N 1 0 259.374 3.382 10 0 CGAERO C[NH2+][C@@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000038057984 174068119 /nfs/dbraw/zinc/06/81/19/174068119.db2.gz PHKCWBOFKVIAJK-KRWDZBQOSA-N 1 0 253.345 3.320 10 0 CGAERO Cc1ccc([C@@H]([NH3+])c2ccc3c(c2)CCCO3)s1 ZINC000038057651 174068197 /nfs/dbraw/zinc/06/81/97/174068197.db2.gz FTNFRPUZXUXMIK-HNNXBMFYSA-N 1 0 259.374 3.430 10 0 CGAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000038101393 174116747 /nfs/dbraw/zinc/11/67/47/174116747.db2.gz MTYDZICRZRWXFO-UHIISALHSA-N 1 0 282.815 3.233 10 0 CGAERO [NH3+][C@H](Cc1c(F)cccc1Cl)c1ccncc1 ZINC000038128008 174131396 /nfs/dbraw/zinc/13/13/96/174131396.db2.gz VJNAKRCISCFXME-CYBMUJFWSA-N 1 0 250.704 3.117 10 0 CGAERO Oc1cccc([C@H]2C[NH2+]Cc3sc(Cl)cc32)c1 ZINC000038157523 174134241 /nfs/dbraw/zinc/13/42/41/174134241.db2.gz IWURIMYQYPDYTB-LLVKDONJSA-N 1 0 265.765 3.342 10 0 CGAERO CCOC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccccc1 ZINC000038228631 174137683 /nfs/dbraw/zinc/13/76/83/174137683.db2.gz XFESHQNKLZLTHP-BPLDGKMQSA-N 1 0 261.365 3.069 10 0 CGAERO C[NH2+]C[C@@H]1CCCN1Cc1ccc(C(C)(C)C)cc1 ZINC000039781801 174173802 /nfs/dbraw/zinc/17/38/02/174173802.db2.gz KMYFPZAKQAEMFQ-INIZCTEOSA-N 1 0 260.425 3.168 10 0 CGAERO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000040177379 174202454 /nfs/dbraw/zinc/20/24/54/174202454.db2.gz HPGLGCXNLCKQEN-CMXYNOPPSA-N 1 0 280.456 3.094 10 0 CGAERO CC(C)c1ccc(OCC[NH+]2CCCC2)c(C=O)c1 ZINC000040541772 174322741 /nfs/dbraw/zinc/32/27/41/174322741.db2.gz LYMPEZFOOLOSON-UHFFFAOYSA-N 1 0 261.365 3.097 10 0 CGAERO COc1ccc(-c2nc(C)c([C@H](C)[NH3+])s2)cc1OC ZINC000040994095 174446558 /nfs/dbraw/zinc/44/65/58/174446558.db2.gz WGISZFXSRZVDTC-QMMMGPOBSA-N 1 0 278.377 3.155 10 0 CGAERO Cc1ccc(C[C@H](C[NH3+])Cc2cccc(F)c2)cc1 ZINC000041328336 174525148 /nfs/dbraw/zinc/52/51/48/174525148.db2.gz RXLYRGDQNGBJGQ-INIZCTEOSA-N 1 0 257.352 3.494 10 0 CGAERO COc1ccc([C@@H](O)C[NH+](CC(C)C)CC(C)C)cc1 ZINC000042249748 174665848 /nfs/dbraw/zinc/66/58/48/174665848.db2.gz JFBVUPIBNKOFBX-KRWDZBQOSA-N 1 0 279.424 3.343 10 0 CGAERO CC[C@@H]([NH3+])[C@@H](Sc1nncs1)c1ccc(C)cc1 ZINC000042943312 174919010 /nfs/dbraw/zinc/91/90/10/174919010.db2.gz UEDKFCLHSQTOKG-NEPJUHHUSA-N 1 0 279.434 3.417 10 0 CGAERO C[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)N(C)Cc1ccco1 ZINC000042945000 174920580 /nfs/dbraw/zinc/92/05/80/174920580.db2.gz ULTVITNGIJZWOJ-XHDPSFHLSA-N 1 0 278.783 3.453 10 0 CGAERO C[C@@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N(C)CC(F)(F)F ZINC000042945510 174920881 /nfs/dbraw/zinc/92/08/81/174920881.db2.gz XXCRJZAMNSPMNU-KCJUWKMLSA-N 1 0 280.721 3.222 10 0 CGAERO CC[C@H]([NH3+])[C@@H](Sc1nncn1C)c1ccc(Cl)cc1 ZINC000042950345 174923442 /nfs/dbraw/zinc/92/34/42/174923442.db2.gz MSNXVQZRAATLOB-RYUDHWBXSA-N 1 0 296.827 3.039 10 0 CGAERO CCc1c(C)nn([C@@H](C[NH3+])c2cccc(Cl)c2)c1C ZINC000043016882 174943457 /nfs/dbraw/zinc/94/34/57/174943457.db2.gz GNCXMFDFUKPPOS-HNNXBMFYSA-N 1 0 277.799 3.264 10 0 CGAERO COc1cc(Nc2cc(N)cc[nH+]2)c(OC)cc1Cl ZINC000043568564 175067396 /nfs/dbraw/zinc/06/73/96/175067396.db2.gz XGSYUBQBYZYTGN-UHFFFAOYSA-N 1 0 279.727 3.078 10 0 CGAERO C[NH2+][C@@H](C)[C@H](C)Cc1cc(Br)cs1 ZINC000043688062 175095053 /nfs/dbraw/zinc/09/50/53/175095053.db2.gz STBJVTOCXBBNQW-SFYZADRCSA-N 1 0 262.216 3.297 10 0 CGAERO CCC[NH+](CCC)C[C@@H](O)c1ccc(OCC)cc1 ZINC000044120002 175142543 /nfs/dbraw/zinc/14/25/43/175142543.db2.gz IYBMCRGAQYXOIY-MRXNPFEDSA-N 1 0 265.397 3.241 10 0 CGAERO CCCC[NH+](CCCC)[C@@H]1COc2ccccc2[C@H]1O ZINC000044125949 175144117 /nfs/dbraw/zinc/14/41/17/175144117.db2.gz ICYOXDVZXKILII-NVXWUHKLSA-N 1 0 277.408 3.383 10 0 CGAERO COc1ccc(Oc2ccccc2C[C@H](C)[NH3+])cc1 ZINC000044460822 175177751 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416502628 /nfs/dbraw/zinc/50/26/28/416502628.db2.gz NVJIHGCFOUBBDF-IAGOWNOFSA-N 1 0 299.414 3.394 10 0 CGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCNC(=O)c1ccco1 ZINC000124507161 416507941 /nfs/dbraw/zinc/50/79/41/416507941.db2.gz PKCRQNNMLREGPN-QLFBSQMISA-N 1 0 292.423 3.060 10 0 CGAERO CC(C)C[C@H]1C[NH2+][C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000725255581 544113436 /nfs/dbraw/zinc/11/34/36/544113436.db2.gz FFJULGHQSXKWQO-CZUORRHYSA-N 1 0 282.428 3.022 10 0 CGAERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000134639232 287451120 /nfs/dbraw/zinc/45/11/20/287451120.db2.gz FSFCCFXARPJVOG-LJISPDSOSA-N 1 0 251.414 3.118 10 0 CGAERO CC[C@H]([NH2+]Cc1csc(N(CC)C(C)=O)n1)C(C)C ZINC000049127597 522665862 /nfs/dbraw/zinc/66/58/62/522665862.db2.gz ONSFMAJWTLJFLR-ZDUSSCGKSA-N 1 0 283.441 3.040 10 0 CGAERO CC(C)c1ccc(CN(C)C(=O)[C@]2(C)CCCC[NH2+]2)cc1 ZINC000136138355 287479508 /nfs/dbraw/zinc/47/95/08/287479508.db2.gz FPLCBMSIVXPSEZ-SFHVURJKSA-N 1 0 288.435 3.301 10 0 CGAERO C[C@H]([NH2+]C1CC(CO)C1)c1ccccc1C(F)(F)F ZINC000658351558 418947625 /nfs/dbraw/zinc/94/76/25/418947625.db2.gz OFFDIMZEVPCXTC-WHXUTIOJSA-N 1 0 273.298 3.127 10 0 CGAERO CC[N@@H+](Cc1ccc(C)cc1)C[C@H]1CCC[C@H](O)C1 ZINC000659856688 419015449 /nfs/dbraw/zinc/01/54/49/419015449.db2.gz GOVKMCKVBCNBPH-IRXDYDNUSA-N 1 0 261.409 3.368 10 0 CGAERO Cc1ccc(C[N@H+](C)C[C@H]2CCC[C@@H](O)C2)s1 ZINC000659875982 419025741 /nfs/dbraw/zinc/02/57/41/419025741.db2.gz UJHXDCDEBDZPAD-QWHCGFSZSA-N 1 0 253.411 3.039 10 0 CGAERO CC1(C)CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC(C)(C)C1 ZINC000659359337 418981423 /nfs/dbraw/zinc/98/14/23/418981423.db2.gz ZYDXGHCGGHTICP-KGLIPLIRSA-N 1 0 280.456 3.179 10 0 CGAERO Fc1cc(Cl)cnc1N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656609709 419186467 /nfs/dbraw/zinc/18/64/67/419186467.db2.gz WULHGZMJORFJRF-GFCCVEGCSA-N 1 0 297.805 3.090 10 0 CGAERO FC(F)(F)C1CCC([NH2+]Cc2cnc3n2CCC3)CC1 ZINC000657304626 419246278 /nfs/dbraw/zinc/24/62/78/419246278.db2.gz OSXRYDICGFTABE-UHFFFAOYSA-N 1 0 287.329 3.040 10 0 CGAERO CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2)CO1 ZINC000657286681 419242784 /nfs/dbraw/zinc/24/27/84/419242784.db2.gz QHPYIZMGPLSFQS-ZMLRMANQSA-N 1 0 255.308 3.183 10 0 CGAERO CC[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)Oc3ccccc32)CO1 ZINC000657399132 419270488 /nfs/dbraw/zinc/27/04/88/419270488.db2.gz ONGHCHCAKWBHFR-GUTXKFCHSA-N 1 0 275.392 3.446 10 0 CGAERO C[C@H]1OCC[C@@H]1[NH2+]Cc1cscc1C(F)(F)F ZINC000356113469 228125975 /nfs/dbraw/zinc/12/59/75/228125975.db2.gz WOFFXNNOUKHDDK-XCBNKYQSSA-N 1 0 265.300 3.034 10 0 CGAERO C[C@@H]1C[C@@H](C[NH2+][C@H]2CCCSCC2)C[C@H](C)O1 ZINC000658002560 419488604 /nfs/dbraw/zinc/48/86/04/419488604.db2.gz VXJNQPAJSMXSRI-CRWXNKLISA-N 1 0 257.443 3.065 10 0 CGAERO CCC[C@@H]1C[C@@H]1[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000226329966 287634568 /nfs/dbraw/zinc/63/45/68/287634568.db2.gz DTQDQNTUMBBCDC-OCCSQVGLSA-N 1 0 282.428 3.164 10 0 CGAERO CCC[C@H](C(=O)NCCCc1cccc(Cl)c1)[NH+](C)C ZINC000179717027 260064622 /nfs/dbraw/zinc/06/46/22/260064622.db2.gz NQVTZDDBLHULGZ-OAHLLOKOSA-N 1 0 296.842 3.119 10 0 CGAERO CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000223892302 260399486 /nfs/dbraw/zinc/39/94/86/260399486.db2.gz JTYTWYOBPDQLNG-IGQOVBAYSA-N 1 0 273.486 3.293 10 0 CGAERO C[C@H]([NH2+]Cc1csnn1)C12CC3CC(CC(C3)C1)C2 ZINC000036901822 270028531 /nfs/dbraw/zinc/02/85/31/270028531.db2.gz HDEPJFCGZWHGDT-OWWVKFPZSA-N 1 0 277.437 3.233 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CCc2ccccc21 ZINC000037167132 270028729 /nfs/dbraw/zinc/02/87/29/270028729.db2.gz VTZKDXNBOBPIOO-NVXWUHKLSA-N 1 0 260.425 3.240 10 0 CGAERO CCc1ccc([C@H](C)[NH2+][C@H]2CCCN(CC)C2)s1 ZINC000041632179 270031209 /nfs/dbraw/zinc/03/12/09/270031209.db2.gz FXWIFSSBYIQWMY-STQMWFEESA-N 1 0 266.454 3.445 10 0 CGAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)N1CCCCCC1 ZINC000042302623 270032079 /nfs/dbraw/zinc/03/20/79/270032079.db2.gz AFVDVUHASZVYDI-HOTGVXAUSA-N 1 0 288.435 3.437 10 0 CGAERO C[C@@H]1C[C@H](C(=O)NC2CC[NH+](C3CC3)CC2)CC(C)(C)C1 ZINC000182981487 270055048 /nfs/dbraw/zinc/05/50/48/270055048.db2.gz MFCDKNGSZLNGHZ-KGLIPLIRSA-N 1 0 292.467 3.192 10 0 CGAERO CCO[C@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C12CCOCC2 ZINC000186271959 270065412 /nfs/dbraw/zinc/06/54/12/270065412.db2.gz QRSTVBRCIQDOAZ-GQGLESIBSA-N 1 0 295.467 3.377 10 0 CGAERO C[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1CCCC1(C)C)c1ccccc1 ZINC000191291615 270074628 /nfs/dbraw/zinc/07/46/28/270074628.db2.gz NCMOZGKPKFQDCJ-OFQRWUPVSA-N 1 0 288.435 3.421 10 0 CGAERO O[C@@]12CCCC[C@H]1C[N@H+](CCCc1ccccc1)CC2 ZINC000220381070 270085930 /nfs/dbraw/zinc/08/59/30/270085930.db2.gz YEZYPIHUSAWLOL-ZWKOTPCHSA-N 1 0 273.420 3.246 10 0 CGAERO CCCc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN2C)cc1 ZINC000222697014 270086310 /nfs/dbraw/zinc/08/63/10/270086310.db2.gz WKGKMWOHWFQRLC-YOEHRIQHSA-N 1 0 260.425 3.384 10 0 CGAERO C[C@@H](O)CCC[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000227570311 270087371 /nfs/dbraw/zinc/08/73/71/270087371.db2.gz 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ZINC000148294540 524155953 /nfs/dbraw/zinc/15/59/53/524155953.db2.gz SHGBTLLXGRTEGI-VBNZEHGJSA-N 1 0 263.381 3.039 10 0 CGAERO COc1ccc(C[C@H]2CCCC[NH2+]2)cc1Br ZINC000062772419 524158046 /nfs/dbraw/zinc/15/80/46/524158046.db2.gz GRNLTLDPHUFAFY-LLVKDONJSA-N 1 0 284.197 3.142 10 0 CGAERO Cc1cc(C)c(-n2cc(C[NH2+]C(C)C)cn2)c(C)c1 ZINC000055265760 524211021 /nfs/dbraw/zinc/21/10/21/524211021.db2.gz LBCUYHUOKSWNTN-UHFFFAOYSA-N 1 0 257.381 3.296 10 0 CGAERO Cc1ccc(CCc2[nH]c3ccc(N)cc3[nH+]2)cc1 ZINC000052945907 524351575 /nfs/dbraw/zinc/35/15/75/524351575.db2.gz BLPPNJWEUWKFKS-UHFFFAOYSA-N 1 0 251.333 3.239 10 0 CGAERO C[C@@H]1CCC[C@H](S[C@@H](C[NH3+])c2ccncc2)C1 ZINC000054690515 524413624 /nfs/dbraw/zinc/41/36/24/524413624.db2.gz JXTIOZMVGSKZEY-XBFCOCLRSA-N 1 0 250.411 3.393 10 0 CGAERO Cc1cccc(CS[C@@H](C[NH3+])c2cccnc2)c1 ZINC000054965645 524461189 /nfs/dbraw/zinc/46/11/89/524461189.db2.gz KWSDWQDSVRUOSN-HNNXBMFYSA-N 1 0 258.390 3.323 10 0 CGAERO Cc1ccc(CN2C[C@H](C(C)C)[NH2+]C[C@@H]2C(C)C)cc1 ZINC000062668234 524481420 /nfs/dbraw/zinc/48/14/20/524481420.db2.gz XAHSHBLLKHMEHG-QZTJIDSGSA-N 1 0 274.452 3.449 10 0 CGAERO C[C@@H](CC[NH2+]C(C)(C)C)N1CCc2ccccc2C1 ZINC000052419194 524498737 /nfs/dbraw/zinc/49/87/37/524498737.db2.gz DOYVBXJCQBRLPZ-AWEZNQCLSA-N 1 0 260.425 3.211 10 0 CGAERO COc1ccccc1N(C)CCCCC[NH2+]C1CC1 ZINC000052513154 524525574 /nfs/dbraw/zinc/52/55/74/524525574.db2.gz VZNBLUVOSHIEPS-UHFFFAOYSA-N 1 0 262.397 3.054 10 0 CGAERO C[C@H]1C[C@H](C)CN(c2cccc(Cl)c2C(N)=[NH2+])C1 ZINC000052904745 524887448 /nfs/dbraw/zinc/88/74/48/524887448.db2.gz HZYPXORTKDQBGJ-UWVGGRQHSA-N 1 0 265.788 3.106 10 0 CGAERO C[C@@H]1CN(Cc2ccccc2F)c2ccccc2C[NH2+]1 ZINC000062665533 525014742 /nfs/dbraw/zinc/01/47/42/525014742.db2.gz CBQKKTNMPNIHHH-CYBMUJFWSA-N 1 0 270.351 3.324 10 0 CGAERO C[C@]([NH3+])(c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000055236997 525149433 /nfs/dbraw/zinc/14/94/33/525149433.db2.gz ICJMYEFASBYVOB-AWEZNQCLSA-N 1 0 251.251 3.326 10 0 CGAERO C[C@H](N[C@H](C[NH+](C)C)c1ccccc1)c1nccs1 ZINC000086508003 525596434 /nfs/dbraw/zinc/59/64/34/525596434.db2.gz RWYKBDIKPKZZKT-GXTWGEPZSA-N 1 0 275.421 3.097 10 0 CGAERO Cc1ccc([C@H](Oc2cccc(F)c2F)[C@H](C)[NH3+])o1 ZINC000062612132 525978545 /nfs/dbraw/zinc/97/85/45/525978545.db2.gz DSWLGFQGYNGTSS-LKFCYVNXSA-N 1 0 267.275 3.334 10 0 CGAERO Cc1ccc2cccc(OCC[NH2+]CC(C)C)c2n1 ZINC000052697957 526239079 /nfs/dbraw/zinc/23/90/79/526239079.db2.gz AGIFLPIGEBUFMS-UHFFFAOYSA-N 1 0 258.365 3.168 10 0 CGAERO Cc1nn(Cc2ccoc2C[NH2+]C2CC2)c(C)c1Cl ZINC000052573882 526299131 /nfs/dbraw/zinc/29/91/31/526299131.db2.gz VGESRONXBWAPAV-UHFFFAOYSA-N 1 0 279.771 3.047 10 0 CGAERO c1cc2c(cc1OCC[C@H]1CCC[NH2+]C1)CCCC2 ZINC000051920169 526440501 /nfs/dbraw/zinc/44/05/01/526440501.db2.gz JVNITWPXHCNOII-CQSZACIVSA-N 1 0 259.393 3.334 10 0 CGAERO c1ccc(CCCN2CC[NH2+]C[C@@H]2c2ccccc2)cc1 ZINC000062671223 526463031 /nfs/dbraw/zinc/46/30/31/526463031.db2.gz HHISMLWTQLTPLK-LJQANCHMSA-N 1 0 280.415 3.266 10 0 CGAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000376053371 526648534 /nfs/dbraw/zinc/64/85/34/526648534.db2.gz DTYLWGVJPRASOU-QMIVOQANSA-N 1 0 251.414 3.073 10 0 CGAERO Cc1[nH+]c2cc(N)ccc2n1Cc1ccccc1F ZINC000052842031 527124207 /nfs/dbraw/zinc/12/42/07/527124207.db2.gz LZFGRDJSELSLND-UHFFFAOYSA-N 1 0 255.296 3.114 10 0 CGAERO [NH3+]C[C@@H](Cc1cccc(Br)c1)C[C@@H]1CCCO1 ZINC000053339335 527203257 /nfs/dbraw/zinc/20/32/57/527203257.db2.gz JDDOQWFHAIOWEQ-JSGCOSHPSA-N 1 0 298.224 3.136 10 0 CGAERO [NH3+][C@H](Cc1c(F)cccc1Cl)c1ccccn1 ZINC000049347080 527387997 /nfs/dbraw/zinc/38/79/97/527387997.db2.gz FINWGQDTCXYAAG-GFCCVEGCSA-N 1 0 250.704 3.117 10 0 CGAERO [NH3+][C@H](c1ccncc1)c1cccc(OC(F)(F)F)c1 ZINC000061703503 527393173 /nfs/dbraw/zinc/39/31/73/527393173.db2.gz DYWRNZCYYQDKFQ-GFCCVEGCSA-N 1 0 268.238 3.028 10 0 CGAERO [NH3+][C@H]1CCCc2nc(-c3ccc(F)cc3F)sc21 ZINC000055266019 527410209 /nfs/dbraw/zinc/41/02/09/527410209.db2.gz HXPISZHOSVAPFU-JTQLQIEISA-N 1 0 266.316 3.424 10 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PTYSKHJQUNIUQR-PWSUYJOCSA-N 1 0 262.180 3.400 10 0 CGAERO C[NH2+][C@H](C)C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000055421627 345148330 /nfs/dbraw/zinc/14/83/30/345148330.db2.gz GYQUOLWAWZDEPS-GFCCVEGCSA-N 1 0 270.332 3.025 10 0 CGAERO Cc1cc(C)cc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)c1 ZINC000188410286 542248014 /nfs/dbraw/zinc/24/80/14/542248014.db2.gz AQENNNPUVQXDHZ-KRWDZBQOSA-N 1 0 269.392 3.165 10 0 CGAERO [NH3+][C@H](Cc1sccc1Br)c1ccoc1 ZINC000069946312 345387139 /nfs/dbraw/zinc/38/71/39/345387139.db2.gz JCZFHSDAELPPAS-SECBINFHSA-N 1 0 272.167 3.346 10 0 CGAERO [NH3+][C@@H]1CC[C@@H](Cc2cccc(Br)c2)C1 ZINC000070740873 345393954 /nfs/dbraw/zinc/39/39/54/345393954.db2.gz HLZLISGHKIAGFV-CMPLNLGQSA-N 1 0 254.171 3.119 10 0 CGAERO [NH3+][C@H]1CC[C@H](Cc2cccc(Br)c2)C1 ZINC000070740871 345394159 /nfs/dbraw/zinc/39/41/59/345394159.db2.gz HLZLISGHKIAGFV-PWSUYJOCSA-N 1 0 254.171 3.119 10 0 CGAERO [NH3+][C@@H]1CC[C@H](Cc2cccc(Br)c2)C1 ZINC000070740874 345394216 /nfs/dbraw/zinc/39/42/16/345394216.db2.gz 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10 0 CGAERO c1cc([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)n[nH]1 ZINC000616611357 348845811 /nfs/dbraw/zinc/84/58/11/348845811.db2.gz PBNNCVGPVPJIEJ-OAHLLOKOSA-N 1 0 255.365 3.179 10 0 CGAERO c1c[nH]c([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)n1 ZINC000616611493 348845849 /nfs/dbraw/zinc/84/58/49/348845849.db2.gz RNXPFGKAUJQUKT-OAHLLOKOSA-N 1 0 255.365 3.179 10 0 CGAERO OCC[N@@H+]1CCCCC[C@H]1c1cccc2ccncc21 ZINC000616626350 348850811 /nfs/dbraw/zinc/85/08/11/348850811.db2.gz FYUPXNALOGHPEN-KRWDZBQOSA-N 1 0 270.376 3.144 10 0 CGAERO CC(C)(C)[N@@H+]1CCOC[C@H]1c1cncc2ccccc21 ZINC000616640622 348853733 /nfs/dbraw/zinc/85/37/33/348853733.db2.gz JTBWZUGPHDACIW-INIZCTEOSA-N 1 0 270.376 3.407 10 0 CGAERO CC(C)[N@@H+]1CCOC[C@@H]1c1cccc2ncccc21 ZINC000616637087 348853910 /nfs/dbraw/zinc/85/39/10/348853910.db2.gz KMANHXDOBDNWOM-MRXNPFEDSA-N 1 0 256.349 3.017 10 0 CGAERO CC(C)(C)[N@@H+]1CCCOC[C@@H]1c1cccc(F)c1 ZINC000616645314 348854659 /nfs/dbraw/zinc/85/46/59/348854659.db2.gz JMWPPDHQLZAWHY-CQSZACIVSA-N 1 0 251.345 3.388 10 0 CGAERO CC[N@@H+]1CCCO[C@H](c2cccc3ccncc32)C1 ZINC000616649415 348855469 /nfs/dbraw/zinc/85/54/69/348855469.db2.gz IUJHRMSXTODDNI-INIZCTEOSA-N 1 0 256.349 3.018 10 0 CGAERO CC(C)(C)[N@@H+]1CCOC[C@@H](c2ccc(F)cc2)C1 ZINC000616660731 348859021 /nfs/dbraw/zinc/85/90/21/348859021.db2.gz OAJQUHLJMMVFSR-ZDUSSCGKSA-N 1 0 251.345 3.040 10 0 CGAERO COc1ccccc1[C@H]1CCc2ccccc2N1CC[NH3+] ZINC000616667809 348860733 /nfs/dbraw/zinc/86/07/33/348860733.db2.gz DTZYJVNIHJOKJN-QGZVFWFLSA-N 1 0 282.387 3.148 10 0 CGAERO CNc1cccc([C@H]2CCN(CC[NH3+])c3ccccc32)c1 ZINC000616675100 348863206 /nfs/dbraw/zinc/86/32/06/348863206.db2.gz MJFXWZIVUDKMAG-MRXNPFEDSA-N 1 0 281.403 3.029 10 0 CGAERO CC(C)CCN(C)c1cc(Br)ccc1CC[NH3+] ZINC000104258278 185946393 /nfs/dbraw/zinc/94/63/93/185946393.db2.gz CVJGCFQGARQGNB-UHFFFAOYSA-N 1 0 299.256 3.433 10 0 CGAERO COCCCS[C@H](c1ccc(Cl)cc1)[C@H](C)[NH3+] ZINC000104439348 186002676 /nfs/dbraw/zinc/00/26/76/186002676.db2.gz ZFKMYNYHQVUKFO-GWCFXTLKSA-N 1 0 273.829 3.498 10 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YPENEOYAQFACKY-NSHDSACASA-N 1 0 293.392 3.072 10 0 CGAERO CC(C)[C@@H]1C[NH2+][C@H](C)CN1c1ccc(Cl)cc1F ZINC000083518253 535264809 /nfs/dbraw/zinc/26/48/09/535264809.db2.gz MCFAOUKUAWYZTF-YGRLFVJLSA-N 1 0 270.779 3.302 10 0 CGAERO C[C@@H]1CCCC[C@H]1OCC[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000328718790 202026593 /nfs/dbraw/zinc/02/65/93/202026593.db2.gz VGIAYIJJROXRNE-RBSFLKMASA-N 1 0 294.439 3.213 10 0 CGAERO CO[C@H](c1noc([C@@H]2CCC[N@@H+]2C2CCCC2)n1)C1CC1 ZINC000328887363 202098537 /nfs/dbraw/zinc/09/85/37/202098537.db2.gz PJXQOITZFNMBEW-KBPBESRZSA-N 1 0 291.395 3.247 10 0 CGAERO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccco2)cc1O ZINC000093335161 138345026 /nfs/dbraw/zinc/34/50/26/138345026.db2.gz SCDAGPSRYPLSGM-ZDUSSCGKSA-N 1 0 273.332 3.331 10 0 CGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccccc1)CC2 ZINC000105873847 138353054 /nfs/dbraw/zinc/35/30/54/138353054.db2.gz DPSDWBBSUOTECX-DZGCQCFKSA-N 1 0 284.407 3.067 10 0 CGAERO CC(C)CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106903552 138355716 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QXLYJPFLUXKRAB-OCCSQVGLSA-N 1 0 291.391 3.220 10 0 CGAERO C[C@H](COCc1ccccc1)[NH2+][C@H](C)c1cccnc1 ZINC000181427677 189295992 /nfs/dbraw/zinc/29/59/92/189295992.db2.gz VNVPWJMJZBFZDQ-HUUCEWRRSA-N 1 0 270.376 3.338 10 0 CGAERO Cc1n[nH]cc1CCC[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000182329059 189320615 /nfs/dbraw/zinc/32/06/15/189320615.db2.gz FBSIHOVMPXQJNV-KRWDZBQOSA-N 1 0 287.382 3.457 10 0 CGAERO Cc1ccc([C@H]2CCCC[N@@H+]2CCCn2ccnc2)o1 ZINC000182795163 189335302 /nfs/dbraw/zinc/33/53/02/189335302.db2.gz PMMOULMBCWWQMB-OAHLLOKOSA-N 1 0 273.380 3.402 10 0 CGAERO CSC[C@@H](CCO)Nc1cc[nH+]c2c(C)cccc12 ZINC000301651029 201117171 /nfs/dbraw/zinc/11/71/71/201117171.db2.gz GFQWRYZKWYJQST-GFCCVEGCSA-N 1 0 276.405 3.069 10 0 CGAERO CC(=O)c1c(C)cc(C)c(C[NH2+][C@H](C)[C@H]2CCCO2)c1C ZINC000183119744 189347210 /nfs/dbraw/zinc/34/72/10/189347210.db2.gz LYTSHDYCHMOKKL-RHSMWYFYSA-N 1 0 289.419 3.472 10 0 CGAERO Cc1nc(C(F)(F)F)c(C[NH2+][C@H](C)[C@H]2CCCO2)s1 ZINC000183670573 189365566 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298.430 3.171 10 0 in-man CGAERO C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)[C@@H](CCCO)C1 ZINC000013579493 368656877 /nfs/dbraw/zinc/65/68/77/368656877.db2.gz QXYGLYJWXYAGSO-DZGCQCFKSA-N 1 0 267.800 3.148 10 0 CGAERO CCOc1ccc2ccccc2c1C[NH2+]CCCCCO ZINC000013727106 368662994 /nfs/dbraw/zinc/66/29/94/368662994.db2.gz DGXURKDNHVUALJ-UHFFFAOYSA-N 1 0 287.403 3.491 10 0 CGAERO [NH3+][C@@H]1CN(Cc2ccccc2Cl)c2ccc(F)cc21 ZINC000019795842 368767486 /nfs/dbraw/zinc/76/74/86/368767486.db2.gz VRUYTAZFSIRABS-CQSZACIVSA-N 1 0 276.742 3.499 10 0 CGAERO NC(=[NH2+])c1cccc(OCc2ccccc2Cl)c1 ZINC000019434831 368753409 /nfs/dbraw/zinc/75/34/09/368753409.db2.gz XWTABRTVRNYPOW-UHFFFAOYSA-N 1 0 260.724 3.203 10 0 CGAERO CCOc1ccccc1[C@H](C[NH3+])N1[C@H](C)CCC[C@@H]1C ZINC000022853963 368813006 /nfs/dbraw/zinc/81/30/06/368813006.db2.gz LGZBVYDOPFHOQZ-LZWOXQAQSA-N 1 0 276.424 3.348 10 0 CGAERO CCOC(=O)CCCCCc1cccc2c[nH+]cn21 ZINC000029414654 368894878 /nfs/dbraw/zinc/89/48/78/368894878.db2.gz QKORHPPZKPFFII-UHFFFAOYSA-N 1 0 260.337 3.000 10 0 CGAERO COCC[NH2+]Cc1ccccc1OCc1cccc(C)c1 ZINC000032132478 368926267 /nfs/dbraw/zinc/92/62/67/368926267.db2.gz CEEGUOJGPXIQIR-UHFFFAOYSA-N 1 0 285.387 3.310 10 0 CGAERO C[C@H](c1ccc(-c2ccc(N)nc2)cc1)[NH+]1CCCC1 ZINC000032573331 368935585 /nfs/dbraw/zinc/93/55/85/368935585.db2.gz KAUMNYBQMXRVJW-CYBMUJFWSA-N 1 0 267.376 3.488 10 0 CGAERO Nc1ccc2[nH]c(CCCc3ccccc3)[nH+]c2c1 ZINC000034940610 368981857 /nfs/dbraw/zinc/98/18/57/368981857.db2.gz SUGOHZUCUKMZBO-UHFFFAOYSA-N 1 0 251.333 3.320 10 0 CGAERO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C(C)(C)C ZINC000036813485 369030122 /nfs/dbraw/zinc/03/01/22/369030122.db2.gz YMBVKHWPHVFDSM-UHFFFAOYSA-N 1 0 257.381 3.377 10 0 CGAERO CCc1ccc([C@H](C)[NH2+]CC(=O)N2CCCCCC2)cc1 ZINC000037977758 369129950 /nfs/dbraw/zinc/12/99/50/369129950.db2.gz DPYNGMNUSIHYGU-HNNXBMFYSA-N 1 0 288.435 3.302 10 0 CGAERO C[C@H](CN1CCCC1=O)[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000037782283 369110639 /nfs/dbraw/zinc/11/06/39/369110639.db2.gz BVEMQQGJXBUFPE-ILXRZTDVSA-N 1 0 280.456 3.192 10 0 CGAERO [NH3+][C@@H]1CCC[C@H]1Cc1ccccc1Br ZINC000042398124 369219498 /nfs/dbraw/zinc/21/94/98/369219498.db2.gz JUTWGUVAHUPMHX-CMPLNLGQSA-N 1 0 254.171 3.119 10 0 CGAERO CCC[C@H]([NH2+][C@@H]1CCCNC1=O)c1ccc(Cl)cc1 ZINC000050394634 369437693 /nfs/dbraw/zinc/43/76/93/369437693.db2.gz NTDCYVYJMZXHRT-UONOGXRCSA-N 1 0 280.799 3.049 10 0 CGAERO CO[C@@H]1CCC[C@H]1[NH2+]C1CC(c2cccc(C)c2)C1 ZINC000050371029 369437745 /nfs/dbraw/zinc/43/77/45/369437745.db2.gz AANNNIQYRWPMGN-BHUNQDJPSA-N 1 0 259.393 3.398 10 0 CGAERO OCCC[C@H]1CCC[N@@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000052761890 369470322 /nfs/dbraw/zinc/47/03/22/369470322.db2.gz HKYMXVQEPPYDTR-OAHLLOKOSA-N 1 0 286.375 3.079 10 0 CGAERO C[C@@H]([NH2+]Cc1cnc[nH]1)c1cccc(Br)c1 ZINC000054764161 369506342 /nfs/dbraw/zinc/50/63/42/369506342.db2.gz HRGOSHSIGSPJTR-SECBINFHSA-N 1 0 280.169 3.023 10 0 CGAERO COCC[N@H+](Cc1ccncc1)Cc1ccc(C)cc1 ZINC000055119820 369512071 /nfs/dbraw/zinc/51/20/71/369512071.db2.gz VFMWYSLAFSLQMI-UHFFFAOYSA-N 1 0 270.376 3.039 10 0 CGAERO Clc1cccc([C@H]2CN(Cc3ccccc3)CC[NH2+]2)c1 ZINC000056894779 369528434 /nfs/dbraw/zinc/52/84/34/369528434.db2.gz IRHKCEXHUDRRNI-QGZVFWFLSA-N 1 0 286.806 3.487 10 0 CGAERO C[C@@H](N[C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1Br ZINC000400339582 296148889 /nfs/dbraw/zinc/14/88/89/296148889.db2.gz IIYCJFDMJZELAK-SUNKGSAMSA-N 1 0 297.240 3.240 10 0 CGAERO [NH3+][C@H](COC=C(F)F)c1ccc(Br)cc1 ZINC000068576580 369745383 /nfs/dbraw/zinc/74/53/83/369745383.db2.gz MSQCJCAEALZOTR-SECBINFHSA-N 1 0 278.096 3.203 10 0 CGAERO CC(C)C[C@@H](CNC(=O)OC(C)(C)C)C1CC[NH2+]CC1 ZINC000068590888 369745467 /nfs/dbraw/zinc/74/54/67/369745467.db2.gz WLHOWEKATKWNAC-AWEZNQCLSA-N 1 0 284.444 3.173 10 0 CGAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1cc(F)ccc1F ZINC000083704302 370009114 /nfs/dbraw/zinc/00/91/14/370009114.db2.gz FUOAEKFMTYLDFK-SWLSCSKDSA-N 1 0 280.362 3.023 10 0 CGAERO Cc1nc(C)c(C[NH2+][C@@H]2CCOc3ccccc32)s1 ZINC000080692826 369992043 /nfs/dbraw/zinc/99/20/43/369992043.db2.gz PXOCURKLDQZYCH-CYBMUJFWSA-N 1 0 274.389 3.373 10 0 CGAERO CCN(C(=O)OC(C)(C)C)[C@H](C(C)C)[C@@H]1CCC[NH2+]C1 ZINC000057218966 284193786 /nfs/dbraw/zinc/19/37/86/284193786.db2.gz RWDZSIBSJFLDKK-ZIAGYGMSSA-N 1 0 284.444 3.268 10 0 CGAERO Clc1ncc(CSC[C@@H]2CCCC[NH2+]2)s1 ZINC000095070287 370170029 /nfs/dbraw/zinc/17/00/29/370170029.db2.gz OHAQKXBGCWBKCW-QMMMGPOBSA-N 1 0 262.831 3.172 10 0 CGAERO FC(F)(F)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095077059 370170984 /nfs/dbraw/zinc/17/09/84/370170984.db2.gz GYOIULGAMLDPIP-CYBMUJFWSA-N 1 0 272.314 3.008 10 0 CGAERO CC(C)[NH2+][C@@]1(C)CCCN(C(=O)OCc2ccccc2)C1 ZINC000095088372 370172694 /nfs/dbraw/zinc/17/26/94/370172694.db2.gz NVVSPFNLAKPLNQ-KRWDZBQOSA-N 1 0 290.407 3.176 10 0 CGAERO CC[NH2+][C@H]1CCOC[C@@H]1Cc1ccc(Br)cc1 ZINC000095091468 370173260 /nfs/dbraw/zinc/17/32/60/370173260.db2.gz SGYIYVGMYCGBRA-JSGCOSHPSA-N 1 0 298.224 3.006 10 0 CGAERO CCC[C@@]1(C)CCC[N@H+](Cc2c(C)nn(C)c2OC)C1 ZINC000093509068 370137943 /nfs/dbraw/zinc/13/79/43/370137943.db2.gz XHLQBBSDIHHUAL-INIZCTEOSA-N 1 0 279.428 3.139 10 0 CGAERO Cc1ccsc1C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000093585497 370144391 /nfs/dbraw/zinc/14/43/91/370144391.db2.gz GDZGGCYPENPEDW-HIFRSBDPSA-N 1 0 265.422 3.184 10 0 CGAERO CCC[C@H](C)[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000102680611 370307642 /nfs/dbraw/zinc/30/76/42/370307642.db2.gz QAFQJXPUBHMISW-JTQLQIEISA-N 1 0 251.761 3.266 10 0 CGAERO c1cnn(CCCCC[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000114484794 370502389 /nfs/dbraw/zinc/50/23/89/370502389.db2.gz KNQDZSVRCQJEEI-INIZCTEOSA-N 1 0 287.411 3.004 10 0 CGAERO COCCCC[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000117876293 370600679 /nfs/dbraw/zinc/60/06/79/370600679.db2.gz QCZJDMIZSRSCFN-LBPRGKRZSA-N 1 0 254.399 3.097 10 0 CGAERO Cc1ccc(C[N@H+]2CCC[C@H]2c2cnn(C)c2)c(C)c1 ZINC000131896044 371136708 /nfs/dbraw/zinc/13/67/08/371136708.db2.gz RRAJGXVOMFTCIP-KRWDZBQOSA-N 1 0 269.392 3.374 10 0 CGAERO CCC[C@H]([NH3+])C(=O)N(C)c1ccc(C(C)(C)C)cc1 ZINC000236790938 189844752 /nfs/dbraw/zinc/84/47/52/189844752.db2.gz IDJPJQBGSSLPTF-AWEZNQCLSA-N 1 0 262.397 3.074 10 0 CGAERO CCC[C@@H](C(=O)N(CC)Cc1ccccc1C)[NH+](C)C ZINC000135252598 371406330 /nfs/dbraw/zinc/40/63/30/371406330.db2.gz LWZLWPYMNRHPLK-INIZCTEOSA-N 1 0 276.424 3.074 10 0 CGAERO C[N@@H+]1CCC[C@H]1CNc1ccnc2cc(Cl)ccc21 ZINC000136911085 371487081 /nfs/dbraw/zinc/48/70/81/371487081.db2.gz HBOJXGMPFZSJHS-LBPRGKRZSA-N 1 0 275.783 3.394 10 0 CGAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCCCC[C@@H]1O ZINC000135638087 371441454 /nfs/dbraw/zinc/44/14/54/371441454.db2.gz OCGDQQRKRWZOLJ-KSZLIROESA-N 1 0 289.419 3.356 10 0 CGAERO CC1(C)CCC[C@@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)C1 ZINC000136072752 371459747 /nfs/dbraw/zinc/45/97/47/371459747.db2.gz LRDGAFWSXHGOSL-HUUCEWRRSA-N 1 0 288.439 3.004 10 0 CGAERO CC(C)[C@H](C)[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000136386558 371475570 /nfs/dbraw/zinc/47/55/70/371475570.db2.gz ZKENSPMVXHZPLL-JTQLQIEISA-N 1 0 253.773 3.409 10 0 CGAERO CCSCC[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000336792399 213631594 /nfs/dbraw/zinc/63/15/94/213631594.db2.gz RYRWZTRCEXUOIM-HNNXBMFYSA-N 1 0 265.422 3.415 10 0 CGAERO Cc1ccc(N(C)C(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000237079557 189862597 /nfs/dbraw/zinc/86/25/97/189862597.db2.gz QZFLBIQGIFITMT-RYUDHWBXSA-N 1 0 280.799 3.129 10 0 CGAERO COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCCC[C@H]1O ZINC000149250935 371527945 /nfs/dbraw/zinc/52/79/45/371527945.db2.gz WNPMEXBSGVXVGK-BPLDGKMQSA-N 1 0 263.381 3.039 10 0 CGAERO COc1ccc([C@@H](C[NH2+]CC=C(C)C)N2CCCC2)cc1 ZINC000237205583 189868584 /nfs/dbraw/zinc/86/85/84/189868584.db2.gz RYCVLXPKEWIXDI-GOSISDBHSA-N 1 0 288.435 3.388 10 0 CGAERO [NH3+]Cc1c(-c2ccc(Cl)cc2)nc2ccc(F)cn21 ZINC000036244507 541860117 /nfs/dbraw/zinc/86/01/17/541860117.db2.gz SGRYSGSMNPNYAI-UHFFFAOYSA-N 1 0 275.714 3.253 10 0 CGAERO CC(C)[N@H+]1C[C@H](NC(=O)c2cccc3ccccc32)[C@@H](C)C1 ZINC000155588103 371934489 /nfs/dbraw/zinc/93/44/89/371934489.db2.gz POVUGXXMHYTOGK-KSSFIOAISA-N 1 0 296.414 3.298 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1ccccc1OC(F)F ZINC000037166090 541862335 /nfs/dbraw/zinc/86/23/35/541862335.db2.gz SSAMLPDMMMWLQM-TUAOUCFPSA-N 1 0 285.334 3.242 10 0 CGAERO C[C@@H](NCc1cnns1)c1ccccc1Br ZINC000290159951 371916781 /nfs/dbraw/zinc/91/67/81/371916781.db2.gz XJORYRJWEMHZDI-MRVPVSSYSA-N 1 0 298.209 3.151 10 0 CGAERO Cc1ccc(C2CC([NH2+][C@H]3CCC[C@H](O)C3)C2)cc1 ZINC000037166167 541862967 /nfs/dbraw/zinc/86/29/67/541862967.db2.gz BBSTUZKBZDVZCK-XGHPGWEVSA-N 1 0 259.393 3.134 10 0 CGAERO COc1cccc2cc([C@H](C)[NH2+][C@H]3CCC[C@H](O)C3)oc21 ZINC000037163892 541862805 /nfs/dbraw/zinc/86/28/05/541862805.db2.gz JHLIBJNIENYLTK-UBHSHLNASA-N 1 0 289.375 3.396 10 0 CGAERO CC(C)C(=O)N1CCC([NH2+]C[C@H]2CCCC[C@@H]2C)CC1 ZINC000344151844 217075744 /nfs/dbraw/zinc/07/57/44/217075744.db2.gz HKRVURUNNMQWIC-LSDHHAIUSA-N 1 0 280.456 3.049 10 0 CGAERO C[C@@H](NCCC[NH3+])c1c(Cl)ccc(F)c1Cl ZINC000037713357 541865332 /nfs/dbraw/zinc/86/53/32/541865332.db2.gz HAZDQHLRDYYJOX-SSDOTTSWSA-N 1 0 265.159 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MLCVVYCJIMHXJD-CVEARBPZSA-N 1 0 291.753 3.227 10 0 CGAERO Cc1cncc(C[N@@H+]2CC[C@H](CNc3cccc(C)n3)C2)c1 ZINC000189896370 375456483 /nfs/dbraw/zinc/45/64/83/375456483.db2.gz WICVPNYALCYZAZ-MRXNPFEDSA-N 1 0 296.418 3.027 10 0 CGAERO CCc1ccc(C[N@@H+]2C[C@H](CO)[C@H](c3ccsc3)C2)o1 ZINC000190282953 375490518 /nfs/dbraw/zinc/49/05/18/375490518.db2.gz XYYZLVIKPUVPEO-CJNGLKHVSA-N 1 0 291.416 3.111 10 0 CGAERO O[C@@H](C[N@@H+]1CCC[C@@H]1c1ccco1)C1CCCCC1 ZINC000190569514 375521842 /nfs/dbraw/zinc/52/18/42/375521842.db2.gz SLCVPEIFFHETMI-CABCVRRESA-N 1 0 263.381 3.358 10 0 CGAERO COc1cccc([C@H]2CN(C)C[C@H](c3ccccc3)C2=O)c1 ZINC000256008103 190001264 /nfs/dbraw/zinc/00/12/64/190001264.db2.gz VZEODMLXOOKCGA-QZTJIDSGSA-N 1 0 295.382 3.077 10 0 CGAERO CC(C)N(c1c(=[NH2+])c1N(C(C)C)C(C)C)C(C)C ZINC000498050838 375619209 /nfs/dbraw/zinc/61/92/09/375619209.db2.gz WPONFPKTLIYYFJ-UHFFFAOYSA-N 1 0 251.418 3.288 10 0 CGAERO CC(C)=CC[NH2+][C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000191615342 375644281 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CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(C)cc1C)CC2 ZINC000180608496 165663146 /nfs/dbraw/zinc/66/31/46/165663146.db2.gz NFVOTWZWHBMZRN-LSDHHAIUSA-N 1 0 298.434 3.123 10 0 CGAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000230226586 165763910 /nfs/dbraw/zinc/76/39/10/165763910.db2.gz ZFFVAGBJBJQEQE-BXUZGUMPSA-N 1 0 271.763 3.120 10 0 CGAERO C[C@H](C[NH2+]C[C@H]1CCCC[C@H]1O)Cc1ccccc1 ZINC000249420209 165793830 /nfs/dbraw/zinc/79/38/30/165793830.db2.gz HHFGAXUQNDEUGO-USXIJHARSA-N 1 0 261.409 3.006 10 0 CGAERO C[C@@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247026797 287142452 /nfs/dbraw/zinc/14/24/52/287142452.db2.gz CYQKOTMQIZQAGI-SWLSCSKDSA-N 1 0 290.798 3.330 10 0 CGAERO C[C@H]1CCN(Cc2cccc(Br)c2)[C@H](C[NH3+])C1 ZINC000261542225 165815247 /nfs/dbraw/zinc/81/52/47/165815247.db2.gz NYTRFIKQJDAKJZ-FZMZJTMJSA-N 1 0 297.240 3.008 10 0 CGAERO CC1(C)CN(C(=O)c2ccc3sccc3c2)CC[C@H]1[NH3+] ZINC000261770484 165835325 /nfs/dbraw/zinc/83/53/25/165835325.db2.gz GRDSWGVMNWOLLO-CQSZACIVSA-N 1 0 288.416 3.101 10 0 CGAERO Cc1ccc(C[NH2+][C@@H]2C[C@H]2C)cc1Br ZINC000119857599 287174580 /nfs/dbraw/zinc/17/45/80/287174580.db2.gz CAJUVVVIZYMQDC-BXKDBHETSA-N 1 0 254.171 3.256 10 0 CGAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(F)cc1OC(F)F ZINC000120545362 287183594 /nfs/dbraw/zinc/18/35/94/287183594.db2.gz RLAYUSSTGQNMRN-DKCNOQQISA-N 1 0 259.271 3.486 10 0 CGAERO Cc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1ccccc1C ZINC000121507295 287199405 /nfs/dbraw/zinc/19/94/05/287199405.db2.gz DNOCRDSVSLYNPS-SJORKVTESA-N 1 0 299.414 3.394 10 0 CGAERO CC(C)(C)[NH2+]C[C@@H](O)c1cc(Cl)c(Cl)s1 ZINC000003643828 169905242 /nfs/dbraw/zinc/90/52/42/169905242.db2.gz MRKNDBCEHBGWKI-SSDOTTSWSA-N 1 0 268.209 3.476 10 0 CGAERO CC[C@@H](C)c1cc(OC)c(C[C@@H](C)[NH3+])cc1OC ZINC000005922742 170155865 /nfs/dbraw/zinc/15/58/65/170155865.db2.gz VEQUTPSVRQTUHR-GHMZBOCLSA-N 1 0 251.370 3.107 10 0 CGAERO CC[NH+](CC)CCCNc1nc(Cl)nc2ccccc21 ZINC000011756481 170438973 /nfs/dbraw/zinc/43/89/73/170438973.db2.gz YRFSCQOACKDXCX-UHFFFAOYSA-N 1 0 292.814 3.427 10 0 CGAERO [NH3+][C@@H]1CCCCCC[C@@H]1OCCOc1ccccc1 ZINC000019265139 170764356 /nfs/dbraw/zinc/76/43/56/170764356.db2.gz HHXDWCPVILRYEM-CVEARBPZSA-N 1 0 263.381 3.132 10 0 CGAERO CCc1ccc([C@@H]([NH3+])COc2cccc(OC)c2)cc1 ZINC000019267259 170765075 /nfs/dbraw/zinc/76/50/75/170765075.db2.gz JQISWICXBWWTPX-KRWDZBQOSA-N 1 0 271.360 3.336 10 0 CGAERO C[C@H]1CCCC[C@@H]1OCc1ccc(C[NH3+])cc1F ZINC000019274050 170768398 /nfs/dbraw/zinc/76/83/98/170768398.db2.gz JYUAPYCSYLSNGJ-NHYWBVRUSA-N 1 0 251.345 3.380 10 0 CGAERO [NH3+]C[C@H]1CCN(c2ccccc2Oc2ccccc2)C1 ZINC000019808247 170877414 /nfs/dbraw/zinc/87/74/14/170877414.db2.gz GWCAYGKBRQULLX-CQSZACIVSA-N 1 0 268.360 3.264 10 0 CGAERO COC(=O)c1ccc(C[NH2+][C@H]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000020001244 170966246 /nfs/dbraw/zinc/96/62/46/170966246.db2.gz INVJJGKWEPJBTC-XEZPLFJOSA-N 1 0 275.392 3.388 10 0 CGAERO CC[N@H+](C[C@H]1Cc2ccccc2CN1)C1CCCCC1 ZINC000020073382 170983921 /nfs/dbraw/zinc/98/39/21/170983921.db2.gz ISVHEJAZQPPCAG-QGZVFWFLSA-N 1 0 272.436 3.356 10 0 CGAERO COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccccn2)ccc1O ZINC000020123540 171004555 /nfs/dbraw/zinc/00/45/55/171004555.db2.gz OAGOQTLBMKPEHZ-NEPJUHHUSA-N 1 0 272.348 3.208 10 0 CGAERO CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1)N(C)C ZINC000020145649 171030807 /nfs/dbraw/zinc/03/08/07/171030807.db2.gz VORHBVSLSGECOG-IUODEOHRSA-N 1 0 252.377 3.063 10 0 CGAERO CC(C)[C@H](C[NH2+][C@@H]1CCSc2ccccc21)N(C)C ZINC000020145732 171031310 /nfs/dbraw/zinc/03/13/10/171031310.db2.gz ABQQURPKSGFADI-CABCVRRESA-N 1 0 278.465 3.399 10 0 CGAERO Cc1ccsc1C[NH2+]CCCOCc1ccco1 ZINC000020146989 171033977 /nfs/dbraw/zinc/03/39/77/171033977.db2.gz AFLFGYHSZFVJLH-UHFFFAOYSA-N 1 0 265.378 3.346 10 0 CGAERO C=COCCC[NH2+]Cc1ccc2cc(OC)ccc2c1 ZINC000020197004 171061278 /nfs/dbraw/zinc/06/12/78/171061278.db2.gz VFEKINJIDFINSA-UHFFFAOYSA-N 1 0 271.360 3.488 10 0 CGAERO Cc1cccc([C@H](C[NH3+])N(C)Cc2ccccc2F)c1 ZINC000020225490 171088926 /nfs/dbraw/zinc/08/89/26/171088926.db2.gz STTAJGWILNVCFA-KRWDZBQOSA-N 1 0 272.367 3.266 10 0 CGAERO COc1ccc([C@@H](C[NH3+])N(C)Cc2cccc(C)c2)cc1 ZINC000020225850 171089769 /nfs/dbraw/zinc/08/97/69/171089769.db2.gz YGIGKRTVXZXZBW-GOSISDBHSA-N 1 0 284.403 3.135 10 0 CGAERO CN(CC(C)(C)C)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000020226529 171091945 /nfs/dbraw/zinc/09/19/45/171091945.db2.gz HPZVIJGUMNLABZ-CYBMUJFWSA-N 1 0 299.256 3.427 10 0 CGAERO Cc1nc(CSc2ccccc2)sc1CC[NH3+] ZINC000020273836 171131212 /nfs/dbraw/zinc/13/12/12/171131212.db2.gz NYNYPJPMPCMQLV-UHFFFAOYSA-N 1 0 264.419 3.245 10 0 CGAERO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+]C1CCCCCCC1 ZINC000020365575 171164130 /nfs/dbraw/zinc/16/41/30/171164130.db2.gz ZDFUOWQSTUZEJG-UONOGXRCSA-N 1 0 268.445 3.382 10 0 CGAERO Cc1ccoc1[C@H]([NH3+])Cc1nc2ccccc2s1 ZINC000020428167 171193508 /nfs/dbraw/zinc/19/35/08/171193508.db2.gz PXGATDKYMOEOKX-SNVBAGLBSA-N 1 0 258.346 3.440 10 0 CGAERO Clc1ccc(Cl)c(N[C@@H]2C[NH+]3CCC2CC3)c1 ZINC000020440289 171204227 /nfs/dbraw/zinc/20/42/27/171204227.db2.gz WQPAPVSIUSBFDN-CYBMUJFWSA-N 1 0 271.191 3.500 10 0 CGAERO COc1cc(C[NH3+])cc(Cl)c1OCCC(C)C ZINC000020470669 171213239 /nfs/dbraw/zinc/21/32/39/171213239.db2.gz GWDZKUJEKAGRAP-UHFFFAOYSA-N 1 0 257.761 3.232 10 0 CGAERO Cc1ccc(NC(=O)[C@H]([NH3+])Cc2ccccc2)c(Cl)c1 ZINC000020471418 171213973 /nfs/dbraw/zinc/21/39/73/171213973.db2.gz NCHXKEMKRMTLHJ-CQSZACIVSA-N 1 0 288.778 3.157 10 0 CGAERO CCCOc1ccccc1OCCC[NH2+]C(C)C ZINC000020524886 171237581 /nfs/dbraw/zinc/23/75/81/171237581.db2.gz CENXIPZDSZSLQQ-UHFFFAOYSA-N 1 0 251.370 3.242 10 0 CGAERO CC(C)CC[NH+]1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000020541375 171241989 /nfs/dbraw/zinc/24/19/89/171241989.db2.gz JVPMXOAYIJKGHW-UHFFFAOYSA-N 1 0 293.386 3.021 10 0 CGAERO Cc1ccc([C@@H]([NH3+])CN2CCc3ccccc32)c(C)c1 ZINC000020549217 171246397 /nfs/dbraw/zinc/24/63/97/171246397.db2.gz CJJWZTONYSCBMY-KRWDZBQOSA-N 1 0 266.388 3.366 10 0 CGAERO CC1(C)Cc2cccc(OC[C@H]([NH3+])c3ccccc3)c2O1 ZINC000020553049 171248322 /nfs/dbraw/zinc/24/83/22/171248322.db2.gz BFKCLQXGRLHKFS-HNNXBMFYSA-N 1 0 283.371 3.479 10 0 CGAERO CCn1cc(C[NH2+]Cc2ccncc2)c2ccccc21 ZINC000020935280 171281302 /nfs/dbraw/zinc/28/13/02/171281302.db2.gz ZFQPBEIVHNGPPM-UHFFFAOYSA-N 1 0 265.360 3.346 10 0 CGAERO CC1(C)Cc2cccc(O[C@H]3CCCCC[C@H]3[NH3+])c2O1 ZINC000021061577 171297206 /nfs/dbraw/zinc/29/72/06/171297206.db2.gz SWIKDDOTKYXZDL-KGLIPLIRSA-N 1 0 275.392 3.439 10 0 CGAERO CC(C)Cc1ccc([C@@H]([NH3+])COCC(F)(F)F)cc1 ZINC000021501026 171305250 /nfs/dbraw/zinc/30/52/50/171305250.db2.gz WUEFLQWDPAONDE-ZDUSSCGKSA-N 1 0 275.314 3.464 10 0 CGAERO Cc1ccccc1[C@H]([NH3+])CN1c2ccccc2C[C@@H]1C ZINC000021800404 171325933 /nfs/dbraw/zinc/32/59/33/171325933.db2.gz XEOGWLJLCCHGDD-WMLDXEAASA-N 1 0 266.388 3.446 10 0 CGAERO CCN(c1ccccc1)[C@H](C[NH3+])c1cccc(F)c1 ZINC000022164720 171365171 /nfs/dbraw/zinc/36/51/71/171365171.db2.gz VCGYUMZPNXTEHN-MRXNPFEDSA-N 1 0 258.340 3.352 10 0 CGAERO CCN(c1ccccc1)[C@H](C[NH3+])c1ccccc1OC ZINC000022177508 171371675 /nfs/dbraw/zinc/37/16/75/171371675.db2.gz KCWCWJJBSNSMKI-MRXNPFEDSA-N 1 0 270.376 3.222 10 0 CGAERO C[C@@H]([NH3+])c1ccc(NC(=O)Cc2ccc(F)cc2)cc1 ZINC000022217846 171376478 /nfs/dbraw/zinc/37/64/78/171376478.db2.gz BURPFMQEZCROKA-LLVKDONJSA-N 1 0 272.323 3.027 10 0 CGAERO CCN(c1ccccc1)[C@H](C[NH3+])c1c(F)cccc1F ZINC000022222439 171378763 /nfs/dbraw/zinc/37/87/63/171378763.db2.gz SUDHWPQPYPURHY-OAHLLOKOSA-N 1 0 276.330 3.491 10 0 CGAERO Cc1ccc([C@H](C[NH3+])Oc2ccc(F)cc2F)cc1 ZINC000032112865 171706032 /nfs/dbraw/zinc/70/60/32/171706032.db2.gz WDQFBEMZQZINKS-HNNXBMFYSA-N 1 0 263.287 3.352 10 0 CGAERO COc1ccc([C@@H](C[NH3+])Oc2cccc(C)c2C)cc1 ZINC000032119361 171711106 /nfs/dbraw/zinc/71/11/06/171711106.db2.gz XTVLSIBHMLZGNJ-QGZVFWFLSA-N 1 0 271.360 3.391 10 0 CGAERO Cc1cc(Cl)cc(C)c1OC[C@H]1CCC[NH2+]C1 ZINC000034579811 171844609 /nfs/dbraw/zinc/84/46/09/171844609.db2.gz JWMRIADKUZVZQY-LBPRGKRZSA-N 1 0 253.773 3.335 10 0 CGAERO C[C@H]([NH2+]CC(=O)Nc1c(F)cccc1F)c1cccs1 ZINC000035154848 172016845 /nfs/dbraw/zinc/01/68/45/172016845.db2.gz RWZICZCUSGPSIB-VIFPVBQESA-N 1 0 296.342 3.316 10 0 CGAERO C[C@H]1CCC[C@@](C[NH3+])(N2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000035176775 172030283 /nfs/dbraw/zinc/03/02/83/172030283.db2.gz VLPQQYVKBVLFQN-MWDXBVQZSA-N 1 0 264.457 3.406 10 0 CGAERO CCCC[NH2+][C@H]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000035273295 172093309 /nfs/dbraw/zinc/09/33/09/172093309.db2.gz GWEJPZMBJZTIMA-WDEREUQCSA-N 1 0 253.308 3.266 10 0 CGAERO Cc1ccc2nc(C[C@@H]([NH3+])c3ccccc3)oc2c1 ZINC000035279138 172098356 /nfs/dbraw/zinc/09/83/56/172098356.db2.gz PJZKDKPSXFUAFJ-CYBMUJFWSA-N 1 0 252.317 3.379 10 0 CGAERO COC(=O)[C@@H]([NH2+][C@H]1CCCC[C@@H]1C(C)(C)C)C(C)C ZINC000035346561 172139048 /nfs/dbraw/zinc/13/90/48/172139048.db2.gz DRJPNEWYFWPIHA-IHRRRGAJSA-N 1 0 269.429 3.379 10 0 CGAERO C[NH2+][C@H](c1ccsc1)c1cc(OC)ccc1OC ZINC000035466598 172214320 /nfs/dbraw/zinc/21/43/20/172214320.db2.gz QCICUJCFJCUJJX-CQSZACIVSA-N 1 0 263.362 3.074 10 0 CGAERO C[NH2+][C@@H](C)c1cc(Br)ccc1Br ZINC000035467177 172216068 /nfs/dbraw/zinc/21/60/68/172216068.db2.gz HCFYITASQGJPPV-LURJTMIESA-N 1 0 293.002 3.492 10 0 CGAERO C[NH2+][C@@H](c1cccc(F)c1)c1ccc(F)c(F)c1 ZINC000035494650 172227665 /nfs/dbraw/zinc/22/76/65/172227665.db2.gz MDVNZDCUNAYSSB-AWEZNQCLSA-N 1 0 251.251 3.413 10 0 CGAERO CC[NH2+][C@@H](c1cccs1)[C@@H]1COc2ccccc2O1 ZINC000035545484 172253541 /nfs/dbraw/zinc/25/35/41/172253541.db2.gz PABBKMUSNBYXAH-DZGCQCFKSA-N 1 0 275.373 3.239 10 0 CGAERO CC[NH2+][C@H](c1cccs1)[C@@H]1COc2ccccc2O1 ZINC000035545486 172253814 /nfs/dbraw/zinc/25/38/14/172253814.db2.gz PABBKMUSNBYXAH-ZFWWWQNUSA-N 1 0 275.373 3.239 10 0 CGAERO CC[NH2+][C@H](c1cc2c(cc1Cl)OCCO2)C1CC1 ZINC000035557807 172263677 /nfs/dbraw/zinc/26/36/77/172263677.db2.gz YBPPFSGLYIMFAA-AWEZNQCLSA-N 1 0 267.756 3.172 10 0 CGAERO CC[NH2+][C@H](CC(F)(F)F)c1ccc(OC)c(F)c1 ZINC000035572398 172269219 /nfs/dbraw/zinc/26/92/19/172269219.db2.gz YPWLQBFZCKFMAR-SNVBAGLBSA-N 1 0 265.250 3.437 10 0 CGAERO CCC[NH2+][C@@H](Cc1ncc[nH]1)c1ccc(Cl)cc1 ZINC000035586615 172285333 /nfs/dbraw/zinc/28/53/33/172285333.db2.gz ONJSMNFWJMNFEU-ZDUSSCGKSA-N 1 0 263.772 3.347 10 0 CGAERO C[NH2+]Cc1c(OC[C@H]2CCCO2)ccc2ccccc21 ZINC000035630644 172312337 /nfs/dbraw/zinc/31/23/37/172312337.db2.gz SARYQICZZAWMDC-CQSZACIVSA-N 1 0 271.360 3.117 10 0 CGAERO C[C@H]([NH2+]CCc1ccco1)c1c(F)cccc1F ZINC000035661721 172339377 /nfs/dbraw/zinc/33/93/77/172339377.db2.gz PMZAMKYLKVFSHR-JTQLQIEISA-N 1 0 251.276 3.451 10 0 CGAERO Cn1ccnc1S[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000035722679 172378245 /nfs/dbraw/zinc/37/82/45/172378245.db2.gz VGBXLMKJGIJQAG-FRRDWIJNSA-N 1 0 281.469 3.302 10 0 CGAERO COc1ccc(SCc2cccc(C[NH3+])c2)cc1 ZINC000035723754 172378569 /nfs/dbraw/zinc/37/85/69/172378569.db2.gz WKVVHRPOIBQOMP-UHFFFAOYSA-N 1 0 259.374 3.446 10 0 CGAERO COc1ccc([C@H]([NH3+])c2ccc(C)s2)c(F)c1 ZINC000036766503 172685570 /nfs/dbraw/zinc/68/55/70/172685570.db2.gz BRGPSVJYXYZRIA-ZDUSSCGKSA-N 1 0 251.326 3.252 10 0 CGAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@H](C)c1cccc(F)c1 ZINC000037167293 173001562 /nfs/dbraw/zinc/00/15/62/173001562.db2.gz CLFVZRHTXUUYII-CJNGLKHVSA-N 1 0 266.404 3.453 10 0 CGAERO CCC[N@@H+]1CCC[C@@H]([C@@H](C)Nc2cccc(O)c2)C1 ZINC000037221556 173041634 /nfs/dbraw/zinc/04/16/34/173041634.db2.gz FBDMTGLHGBNTNG-ZIAGYGMSSA-N 1 0 262.397 3.315 10 0 CGAERO Cc1ccc(C)c(Oc2ncccc2C(N)=[NH2+])c1C ZINC000037382402 173167896 /nfs/dbraw/zinc/16/78/96/173167896.db2.gz YITIQUMSQRVAIF-UHFFFAOYSA-N 1 0 255.321 3.083 10 0 CGAERO CCC[C@H](NC(=O)C[NH2+][C@@H](C)CC)c1ccccc1 ZINC000037394589 173175090 /nfs/dbraw/zinc/17/50/90/173175090.db2.gz JKAUDQKOCDOQFZ-ZFWWWQNUSA-N 1 0 262.397 3.032 10 0 CGAERO CC[NH2+]C[C@@H](O)COc1cc(C(C)C)c(Cl)cc1C ZINC000037429114 173199818 /nfs/dbraw/zinc/19/98/18/173199818.db2.gz ZFRLBWBLJMCORA-GFCCVEGCSA-N 1 0 285.815 3.121 10 0 CGAERO CCCn1c2ccc(Br)cc2nc1[C@@H](C)[NH3+] ZINC000037441599 173211195 /nfs/dbraw/zinc/21/11/95/173211195.db2.gz IIQBQCBOKGDJBI-MRVPVSSYSA-N 1 0 282.185 3.229 10 0 CGAERO C[NH2+][C@H](c1cccc(OC)c1)c1ccccc1OC ZINC000037532970 173253743 /nfs/dbraw/zinc/25/37/43/173253743.db2.gz SCRIEDMMAQEYSF-MRXNPFEDSA-N 1 0 257.333 3.013 10 0 CGAERO CCN(Cc1ccccc1Br)C1CC[NH2+]CC1 ZINC000037538700 173259298 /nfs/dbraw/zinc/25/92/98/173259298.db2.gz FLUDOWYFEIXZGB-UHFFFAOYSA-N 1 0 297.240 3.023 10 0 CGAERO CC[C@@H]([NH3+])Cc1cccc(OC)c1OC1CCCC1 ZINC000037727887 173647115 /nfs/dbraw/zinc/64/71/15/173647115.db2.gz JJRLOLALXIXQJG-CYBMUJFWSA-N 1 0 263.381 3.296 10 0 CGAERO c1c(C[NH2+]C[C@@H]2CCCO2)sc2c1CCCCC2 ZINC000037927500 173866422 /nfs/dbraw/zinc/86/64/22/173866422.db2.gz SEUKWAOXXGDIOU-ZDUSSCGKSA-N 1 0 265.422 3.286 10 0 CGAERO O=C(Nc1cccc(C[NH2+]CC2CCC2)c1)C(F)(F)F ZINC000038003582 173965538 /nfs/dbraw/zinc/96/55/38/173965538.db2.gz AKQMFBWCYPRFMD-UHFFFAOYSA-N 1 0 286.297 3.077 10 0 CGAERO FC(F)Sc1ccc(NC2CC[NH2+]CC2)cc1 ZINC000038040888 174040957 /nfs/dbraw/zinc/04/09/57/174040957.db2.gz FZMOOLXUUCLFKW-UHFFFAOYSA-N 1 0 258.337 3.165 10 0 CGAERO CC(C)Oc1ccc(NC2CC[NH2+]CC2)cc1Cl ZINC000038041235 174041983 /nfs/dbraw/zinc/04/19/83/174041983.db2.gz OQZPNTVUMPFUTB-UHFFFAOYSA-N 1 0 268.788 3.291 10 0 CGAERO C=COCCC[NH2+]Cc1nc2ccccc2n1CCC ZINC000038046697 174054997 /nfs/dbraw/zinc/05/49/97/174054997.db2.gz QQFWXZBBLPLCFT-UHFFFAOYSA-N 1 0 273.380 3.086 10 0 CGAERO C[NH2+][C@H](c1occc1C)c1ccc2c(c1)CCCO2 ZINC000038057881 174068211 /nfs/dbraw/zinc/06/82/11/174068211.db2.gz LZRABQWMYBMXGG-HNNXBMFYSA-N 1 0 257.333 3.222 10 0 CGAERO CC[NH2+][C@H](C)c1ccc(-c2c(C)nn(C)c2C)cc1 ZINC000038073143 174083223 /nfs/dbraw/zinc/08/32/23/174083223.db2.gz ZEKHWXXZHVFIKV-LLVKDONJSA-N 1 0 257.381 3.374 10 0 CGAERO CCC[NH2+]Cc1ccc(-c2c(C)nn(C)c2C)cc1 ZINC000038073148 174083300 /nfs/dbraw/zinc/08/33/00/174083300.db2.gz CLUNCUHJJYJHCQ-UHFFFAOYSA-N 1 0 257.381 3.204 10 0 CGAERO COc1ccc(-c2c(F)cc(F)cc2F)cc1C[NH3+] ZINC000038072774 174083305 /nfs/dbraw/zinc/08/33/05/174083305.db2.gz YFXWMBPCMMBWLJ-UHFFFAOYSA-N 1 0 267.250 3.238 10 0 CGAERO C[NH2+]CCCOc1ccccc1Cc1ccccc1 ZINC000039260312 174167507 /nfs/dbraw/zinc/16/75/07/174167507.db2.gz RUGAFRLGNOYCPS-UHFFFAOYSA-N 1 0 255.361 3.266 10 0 CGAERO [NH3+][C@@H]1CN(Cc2ccc(F)cc2)c2ccc(Cl)cc21 ZINC000039941597 174175431 /nfs/dbraw/zinc/17/54/31/174175431.db2.gz DPJNLOCDEJCENV-CQSZACIVSA-N 1 0 276.742 3.499 10 0 CGAERO Cc1cc(C(=O)NCC[NH2+]C2CCCCCC2)sc1C ZINC000127478454 287288899 /nfs/dbraw/zinc/28/88/99/287288899.db2.gz PZXWMLVLMIDMQO-UHFFFAOYSA-N 1 0 294.464 3.407 10 0 CGAERO CCC[C@@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000040177376 174202146 /nfs/dbraw/zinc/20/21/46/174202146.db2.gz HPGLGCXNLCKQEN-UKRFAEJPSA-N 1 0 280.456 3.094 10 0 CGAERO [NH3+]C[C@@H](Cc1cccc(F)c1)Cc1ccccc1F ZINC000041350705 174529734 /nfs/dbraw/zinc/52/97/34/174529734.db2.gz IUOZYBHQHWLDGP-ZDUSSCGKSA-N 1 0 261.315 3.325 10 0 CGAERO [NH3+]C[C@@H](Cc1ccc(F)cc1)Cc1ccccc1F ZINC000041350712 174529877 /nfs/dbraw/zinc/52/98/77/174529877.db2.gz KPNSSSZUFUQQNS-ZDUSSCGKSA-N 1 0 261.315 3.325 10 0 CGAERO COc1ccc(CC[NH2+]CC2CCCC2)cc1OC ZINC000041356902 174535106 /nfs/dbraw/zinc/53/51/06/174535106.db2.gz LVYAUKZOVNOSFI-UHFFFAOYSA-N 1 0 263.381 3.026 10 0 CGAERO Cc1ccc(NC[C@H]2CCC[NH2+]C2)cc1Br ZINC000041440355 174553577 /nfs/dbraw/zinc/55/35/77/174553577.db2.gz LXEBDFFMBGKHMC-NSHDSACASA-N 1 0 283.213 3.169 10 0 CGAERO Cc1c(C[NH2+]C2CC2)cnn1-c1ccc(C)cc1C ZINC000042355801 174694017 /nfs/dbraw/zinc/69/40/17/174694017.db2.gz CNKKSMJSNDPMLC-UHFFFAOYSA-N 1 0 255.365 3.050 10 0 CGAERO CCCCN([C@@H](C)CC)[C@@H](CC[NH3+])C(F)(F)F ZINC000042601968 174817038 /nfs/dbraw/zinc/81/70/38/174817038.db2.gz AGPYMCBEYMZZGJ-QWRGUYRKSA-N 1 0 254.340 3.167 10 0 CGAERO CC[C@@H]([NH3+])[C@H](Sc1nncs1)c1ccccc1F ZINC000043049539 174958048 /nfs/dbraw/zinc/95/80/48/174958048.db2.gz PJCHGDWGUDGSPK-GHMZBOCLSA-N 1 0 283.397 3.248 10 0 CGAERO C[C@H]([NH3+])[C@H](c1ccccc1Cl)N(C)Cc1ccco1 ZINC000043051382 174959716 /nfs/dbraw/zinc/95/97/16/174959716.db2.gz LUZYHUNBLHAUGD-XHDPSFHLSA-N 1 0 278.783 3.453 10 0 CGAERO CC[C@H]([NH3+])[C@@H](SCC(=O)OC)c1ccccc1Cl ZINC000043089917 174964227 /nfs/dbraw/zinc/96/42/27/174964227.db2.gz IJULNOLPVFITNP-AAEUAGOBSA-N 1 0 287.812 3.025 10 0 CGAERO CC(C)C[N@H+](CCCc1ccccc1)CCC(N)=S ZINC000043418252 175038541 /nfs/dbraw/zinc/03/85/41/175038541.db2.gz HBJQEIZZYBPQQT-UHFFFAOYSA-N 1 0 278.465 3.253 10 0 CGAERO Nc1cc[nH+]c(Nc2ccc(C(F)(F)F)cc2)c1 ZINC000043568622 175067516 /nfs/dbraw/zinc/06/75/16/175067516.db2.gz FSIXQVRYPVKEDK-UHFFFAOYSA-N 1 0 253.227 3.426 10 0 CGAERO CCc1ccc([C@H]([NH2+]C)[C@H](C)N2CCCCC2)cc1 ZINC000043814113 175111763 /nfs/dbraw/zinc/11/17/63/175111763.db2.gz JEVZZYJBICXFEV-WMLDXEAASA-N 1 0 260.425 3.384 10 0 CGAERO CN[C@H](c1ccccc1)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000043813988 175111840 /nfs/dbraw/zinc/11/18/40/175111840.db2.gz GMYJUBDEMQZTIL-IAGOWNOFSA-N 1 0 260.425 3.458 10 0 CGAERO CCC[NH+](CCC)C[C@@H](O)c1ccccc1OCC ZINC000044120284 175142723 /nfs/dbraw/zinc/14/27/23/175142723.db2.gz WUYFYZALBYWOHA-OAHLLOKOSA-N 1 0 265.397 3.241 10 0 CGAERO Cc1ccc([C@H](O)C[N@@H+]2CCc3ccccc3C2)c(C)c1 ZINC000044120411 175142964 /nfs/dbraw/zinc/14/29/64/175142964.db2.gz IJMKGOVQWUCIRF-LJQANCHMSA-N 1 0 281.399 3.395 10 0 CGAERO COc1cccc(N[C@@H](C[NH3+])c2ccccc2Cl)c1 ZINC000057573583 175599722 /nfs/dbraw/zinc/59/97/22/175599722.db2.gz LARDWWYRRGKWPV-HNNXBMFYSA-N 1 0 276.767 3.461 10 0 CGAERO O[C@@]12CCCC[C@@H]1C[N@H+](CCCc1ccccc1)CC2 ZINC000128366714 287309306 /nfs/dbraw/zinc/30/93/06/287309306.db2.gz YEZYPIHUSAWLOL-QZTJIDSGSA-N 1 0 273.420 3.246 10 0 CGAERO CCCOc1cccc(C[NH2+]Cc2ncccc2C)c1 ZINC000071339965 176129722 /nfs/dbraw/zinc/12/97/22/176129722.db2.gz OWNQYBKJHODWAM-UHFFFAOYSA-N 1 0 270.376 3.469 10 0 CGAERO CCCN(C(=O)CC[C@H]([NH3+])c1ccccc1)C(C)C ZINC000071400323 176152705 /nfs/dbraw/zinc/15/27/05/176152705.db2.gz DZVHCPJBSLVHKP-HNNXBMFYSA-N 1 0 262.397 3.114 10 0 CGAERO O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCCC[NH2+]1 ZINC000071577889 176206672 /nfs/dbraw/zinc/20/66/72/176206672.db2.gz OQRDCDYMJUJXKB-LLVKDONJSA-N 1 0 257.255 3.030 10 0 CGAERO C[NH2+][C@H](C(C)C)[C@@H](O)c1ccc(OC(C)C)c(C)c1 ZINC000071598056 176221560 /nfs/dbraw/zinc/22/15/60/176221560.db2.gz VIJQKUJPHWOHOD-CVEARBPZSA-N 1 0 265.397 3.060 10 0 CGAERO CC[C@@H]([NH2+]C)C(=O)c1ccc(OC(C)C)c(Cl)c1 ZINC000071601037 176227529 /nfs/dbraw/zinc/22/75/29/176227529.db2.gz KSVXPHIXKUCTFQ-GFCCVEGCSA-N 1 0 269.772 3.308 10 0 CGAERO CCOc1ccc([C@@H](O)[C@H](C)[NH2+]C(C)C)cc1Cl ZINC000071611274 176231818 /nfs/dbraw/zinc/23/18/18/176231818.db2.gz JUWYBYZIHYZCIM-HZMBPMFUSA-N 1 0 271.788 3.159 10 0 CGAERO CC[NH2+][C@@H](C)[C@@H](O)c1cc(Cl)c(OCC)cc1C ZINC000071611248 176231937 /nfs/dbraw/zinc/23/19/37/176231937.db2.gz KHHWYQUDBDBYON-IINYFYTJSA-N 1 0 271.788 3.079 10 0 CGAERO COc1ccc(C(C)C)cc1[C@H](C[NH3+])N(C)C(C)C ZINC000076369752 177006417 /nfs/dbraw/zinc/00/64/17/177006417.db2.gz WSJWLKOJCWUXSO-HNNXBMFYSA-N 1 0 264.413 3.159 10 0 CGAERO CCC[C@@H](C[NH3+])CC(=O)Nc1ccc(Cl)cc1 ZINC000076658872 177047801 /nfs/dbraw/zinc/04/78/01/177047801.db2.gz FFZPFUJNHHTBSD-SNVBAGLBSA-N 1 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253.729 3.308 10 0 CGAERO C[C@H](NC(=O)CCC(C)(C)[NH3+])c1ccccc1Cl ZINC000070088165 416489346 /nfs/dbraw/zinc/48/93/46/416489346.db2.gz YLTVWGPOTUQLCJ-JTQLQIEISA-N 1 0 268.788 3.035 10 0 CGAERO O[C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)sc2Cl)C1 ZINC000312587977 416534882 /nfs/dbraw/zinc/53/48/82/416534882.db2.gz SUZWSALCNXGWOS-BDAKNGLRSA-N 1 0 280.220 3.448 10 0 CGAERO O[C@H]1CCC[C@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000681006818 543755881 /nfs/dbraw/zinc/75/58/81/543755881.db2.gz CPLLSHJEYDAYBV-TYUFSLCMSA-N 1 0 279.346 3.248 10 0 CGAERO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ncc(Cl)s1 ZINC000681165459 543771240 /nfs/dbraw/zinc/77/12/40/543771240.db2.gz BMUBGPONMFBWKO-NEPJUHHUSA-N 1 0 299.871 3.245 10 0 CGAERO CC(C)(C)OC(=O)N1CCC[C@](C)([NH+]2CCCCC2)C1 ZINC000685961508 544111214 /nfs/dbraw/zinc/11/12/14/544111214.db2.gz SCLBMEFPHPZQKM-INIZCTEOSA-N 1 0 282.428 3.262 10 0 CGAERO COC1(OC)CC[C@H](C2CCCCC2)C[C@H]1CC[NH3+] ZINC000725261686 544113911 /nfs/dbraw/zinc/11/39/11/544113911.db2.gz BTQDNHCRKRZWQY-LSDHHAIUSA-N 1 0 269.429 3.321 10 0 CGAERO CN1C[C@H](C[NH2+][C@H]2CCC[C@@H](C(C)(C)C)CC2)CC1=O ZINC000657696431 419329390 /nfs/dbraw/zinc/32/93/90/419329390.db2.gz UNEKDBULTMLPBZ-ZNMIVQPWSA-N 1 0 280.456 3.049 10 0 CGAERO Clc1ccc2c(c1)nccc2NCC12CC(C1)C[NH2+]2 ZINC000663275251 419536617 /nfs/dbraw/zinc/53/66/17/419536617.db2.gz TXNIKOFPDKSVLB-UHFFFAOYSA-N 1 0 273.767 3.052 10 0 CGAERO CCCc1nccnc1N[C@H](C)CCC[NH+](CC)CC ZINC000663316258 419550968 /nfs/dbraw/zinc/55/09/68/419550968.db2.gz UMFIPGSNJGZCAC-CQSZACIVSA-N 1 0 278.444 3.352 10 0 CGAERO CCO[C@H]1C[C@H]([NH2+]CC2(C3CC3)CCC2)C12CCOCC2 ZINC000186429411 287557705 /nfs/dbraw/zinc/55/77/05/287557705.db2.gz WWHYHFPTHQIYKJ-HOTGVXAUSA-N 1 0 293.451 3.131 10 0 CGAERO Cc1cnc([C@@H](C)[NH2+]C[C@H]2CCCCC2(F)F)o1 ZINC000394516465 261303387 /nfs/dbraw/zinc/30/33/87/261303387.db2.gz RBHORGCIVMCJCB-GHMZBOCLSA-N 1 0 258.312 3.459 10 0 CGAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000189291019 264287453 /nfs/dbraw/zinc/28/74/53/264287453.db2.gz YQUYWHHQPWPRNK-IBEHDNSVSA-N 1 0 253.430 3.198 10 0 CGAERO COc1ccc([C@H](C)[NH2+][C@H](CC(C)C)CN(C)C)cc1F ZINC000037166948 270028664 /nfs/dbraw/zinc/02/86/64/270028664.db2.gz DOIXAIFVAVRHEU-DZGCQCFKSA-N 1 0 296.430 3.461 10 0 CGAERO COc1ccc([C@H](C)[NH2+][C@@H](CC(C)C)CN(C)C)cc1F ZINC000037166947 270028736 /nfs/dbraw/zinc/02/87/36/270028736.db2.gz DOIXAIFVAVRHEU-ZFWWWQNUSA-N 1 0 296.430 3.461 10 0 CGAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@H](C)c1cccs1 ZINC000037167061 270028798 /nfs/dbraw/zinc/02/87/98/270028798.db2.gz AASHIMQGSCYRHO-OLZOCXBDSA-N 1 0 254.443 3.375 10 0 CGAERO CCC(CC)[NH2+][C@H]1CCN(CCc2ccccc2)C1 ZINC000042277128 270032348 /nfs/dbraw/zinc/03/23/48/270032348.db2.gz BUGLWCUEFXAJKC-KRWDZBQOSA-N 1 0 260.425 3.082 10 0 CGAERO CCOC(=O)CC[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC000044288311 270034884 /nfs/dbraw/zinc/03/48/84/270034884.db2.gz AHFKJHNJNQRCSU-CQSZACIVSA-N 1 0 277.408 3.489 10 0 CGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1CCCCCC1 ZINC000101859947 270044458 /nfs/dbraw/zinc/04/44/58/270044458.db2.gz BAAUFSABZTUPFV-HNNXBMFYSA-N 1 0 268.445 3.049 10 0 CGAERO Cc1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)cc(C)c1O ZINC000108106003 270050935 /nfs/dbraw/zinc/05/09/35/270050935.db2.gz YQEQMFDAHKMWRB-JKSUJKDBSA-N 1 0 275.392 3.152 10 0 CGAERO [NH3+][C@H](CF)c1cc(Br)ccc1Cl ZINC000238683760 265367867 /nfs/dbraw/zinc/36/78/67/265367867.db2.gz LJTLZTNPOCAWHR-MRVPVSSYSA-N 1 0 252.514 3.072 10 0 CGAERO [NH3+][C@@H](CF)c1ccc(Br)c(Br)c1 ZINC000238573428 265367871 /nfs/dbraw/zinc/36/78/71/265367871.db2.gz DTOFMSJDXSCDOP-QMMMGPOBSA-N 1 0 296.965 3.181 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000223147147 270086085 /nfs/dbraw/zinc/08/60/85/270086085.db2.gz UFMYNQVAOJYSCY-WMLDXEAASA-N 1 0 280.431 3.323 10 0 CGAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000246298046 287701786 /nfs/dbraw/zinc/70/17/86/287701786.db2.gz CVMFJADDCAGCQH-SQWLQELKSA-N 1 0 275.440 3.462 10 0 CGAERO C[NH2+][C@@H]1CCOC[C@H]1Cc1ccc(Cl)cc1Cl ZINC000095075904 273972880 /nfs/dbraw/zinc/97/28/80/273972880.db2.gz YQIQOLIBVLXZIO-ZWNOBZJWSA-N 1 0 274.191 3.160 10 0 CGAERO COc1c(N)c2ccccc2[nH+]c1-c1ccccc1 ZINC000091365499 274090182 /nfs/dbraw/zinc/09/01/82/274090182.db2.gz HUASDOALFDNZJQ-UHFFFAOYSA-N 1 0 250.301 3.493 10 0 CGAERO Cc1c([C@H](C)[NH2+][C@@H](C)[C@H]2CCCO2)cnn1C(C)(C)C ZINC000248684157 287778894 /nfs/dbraw/zinc/77/88/94/287778894.db2.gz FQROTFAKOKUQAL-SLEUVZQESA-N 1 0 279.428 3.165 10 0 CGAERO Cc1cc(N2CC[NH2+]CC2)c2cc(Cl)c(Cl)cc2n1 ZINC000032500253 274708403 /nfs/dbraw/zinc/70/84/03/274708403.db2.gz CJIIZNPXGNJZTK-UHFFFAOYSA-N 1 0 296.201 3.260 10 0 CGAERO c1nc(-c2ccccc2)n2c1-c1ccccc1N1CC[NH+]=C12 ZINC000027753476 275075549 /nfs/dbraw/zinc/07/55/49/275075549.db2.gz DEGJRJFZXTUUCV-UHFFFAOYSA-N 1 0 286.338 3.255 10 0 CGAERO CC(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000069136250 275745075 /nfs/dbraw/zinc/74/50/75/275745075.db2.gz QKMTZRWITPGVNL-CZUORRHYSA-N 1 0 295.448 3.038 10 0 CGAERO CC(C)c1ccc([C@@H](C)[NH2+][C@H]2CCc3ncnn3C2)cc1 ZINC000180599718 275745322 /nfs/dbraw/zinc/74/53/22/275745322.db2.gz HBDNCKWKQHIZEL-CJNGLKHVSA-N 1 0 284.407 3.067 10 0 CGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H]1CC(C)(C)C[C@H]1C)CC2 ZINC000193128579 275777095 /nfs/dbraw/zinc/77/70/95/275777095.db2.gz PGZMQNJJBNSKDS-MGPQQGTHSA-N 1 0 290.455 3.131 10 0 CGAERO CCC[N@@H+]1Cc2ccccc2C[C@H]1C(OCC)OCC ZINC000057354367 276014644 /nfs/dbraw/zinc/01/46/44/276014644.db2.gz CIIXPLGJPDJUIN-INIZCTEOSA-N 1 0 277.408 3.222 10 0 CGAERO CC1(C)C[C@@H]([NH2+]C2CCOCC2)c2ccccc2O1 ZINC000126887822 276142845 /nfs/dbraw/zinc/14/28/45/276142845.db2.gz MNBBZGCQEVIEFJ-CQSZACIVSA-N 1 0 261.365 3.057 10 0 CGAERO CCN1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)c3ccccc32)C1 ZINC000311614005 276179265 /nfs/dbraw/zinc/17/92/65/276179265.db2.gz WCLVXIUBQYYXSV-JKIFEVAISA-N 1 0 258.409 3.309 10 0 CGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2COc3ccccc32)C12CCC2 ZINC000087711145 276475139 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ZINC000252137833 278483632 /nfs/dbraw/zinc/48/36/32/278483632.db2.gz LTMCLFGHFMGADS-RISCZKNCSA-N 1 0 286.341 3.265 10 0 CGAERO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1ccccc1C(F)(F)F ZINC000399252879 288050628 /nfs/dbraw/zinc/05/06/28/288050628.db2.gz PPTGMZDBDNHZGP-CMPLNLGQSA-N 1 0 273.298 3.051 10 0 CGAERO CC(C)[C@@H](C(=O)N[C@@H](C)c1ccccc1Cl)[C@H](C)[NH3+] ZINC000399731992 288053974 /nfs/dbraw/zinc/05/39/74/288053974.db2.gz MHHRRKUSHYJPDZ-COPLHBTASA-N 1 0 282.815 3.137 10 0 CGAERO C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000252689853 279053129 /nfs/dbraw/zinc/05/31/29/279053129.db2.gz SKLDYRFDZQCPBC-FZZIBODNSA-N 1 0 296.208 3.203 10 0 CGAERO Cc1ccccc1C1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000039377425 281336567 /nfs/dbraw/zinc/33/65/67/281336567.db2.gz JNKAKYDNTGEMGZ-UHFFFAOYSA-N 1 0 281.399 3.479 10 0 CGAERO CCc1ccc([C@H](CC)[NH2+]CCn2cc(C)cn2)cc1 ZINC000123953960 288561872 /nfs/dbraw/zinc/56/18/72/288561872.db2.gz KFFKKYKHLGVIMG-KRWDZBQOSA-N 1 0 271.408 3.495 10 0 CGAERO 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519977612 /nfs/dbraw/zinc/97/76/12/519977612.db2.gz CQNQASWSWBPEMM-GFCCVEGCSA-N 1 0 297.240 3.193 10 0 CGAERO CCC[NH2+][C@@H](CC(F)(F)F)c1cncc(F)c1 ZINC000049576537 519990534 /nfs/dbraw/zinc/99/05/34/519990534.db2.gz WEWPQBROBRUBDZ-JTQLQIEISA-N 1 0 250.239 3.214 10 0 CGAERO CC[NH2+]Cc1cnc(N(C)C2CCC(C)CC2)s1 ZINC000054908990 520014921 /nfs/dbraw/zinc/01/49/21/520014921.db2.gz UFGWHMDRGKTOLC-UHFFFAOYSA-N 1 0 267.442 3.268 10 0 CGAERO CC[NH2+]Cc1cnc(Cc2cc(F)cc(F)c2)s1 ZINC000049349669 520015312 /nfs/dbraw/zinc/01/53/12/520015312.db2.gz RBXGFHYJZVRMCN-UHFFFAOYSA-N 1 0 268.332 3.122 10 0 CGAERO CCC[NH2+][C@@H]1CCC[C@@H]1Oc1cc(F)cc(F)c1 ZINC000054932943 520022485 /nfs/dbraw/zinc/02/24/85/520022485.db2.gz MRESELSEKFASPE-KGLIPLIRSA-N 1 0 255.308 3.264 10 0 CGAERO CC[NH2+]Cc1sc(N2CCCCCC2)nc1CC ZINC000054995652 520033347 /nfs/dbraw/zinc/03/33/47/520033347.db2.gz VZVITYMTFDFTQE-UHFFFAOYSA-N 1 0 267.442 3.195 10 0 CGAERO CCC[NH2+][C@H](CC)c1nnc(-c2cccc(F)c2)o1 ZINC000061513650 520069458 /nfs/dbraw/zinc/06/94/58/520069458.db2.gz JARYLBUBVUSKPF-GFCCVEGCSA-N 1 0 263.316 3.326 10 0 CGAERO CC[NH2+][C@@H](C)c1cnc(N2C[C@H](C)C[C@H](C)C2)s1 ZINC000054899787 520079509 /nfs/dbraw/zinc/07/95/09/520079509.db2.gz IKIHVQBQCVMQOC-TUAOUCFPSA-N 1 0 267.442 3.296 10 0 CGAERO CCC[NH2+][C@H](c1ccc(F)c(F)c1)c1ccccn1 ZINC000055237353 520088721 /nfs/dbraw/zinc/08/87/21/520088721.db2.gz XCHDRFFOSHJFOM-OAHLLOKOSA-N 1 0 262.303 3.449 10 0 CGAERO CCC[NH2+][C@H](c1ccc(F)c(C)c1)c1cnccn1 ZINC000055224726 520089317 /nfs/dbraw/zinc/08/93/17/520089317.db2.gz JFDWHKATDOWMCI-OAHLLOKOSA-N 1 0 259.328 3.013 10 0 CGAERO CCC[NH2+][C@H]1CCc2c1cccc2OCC(F)F ZINC000062800077 520097220 /nfs/dbraw/zinc/09/72/20/520097220.db2.gz HFEXWDLGARBENP-LBPRGKRZSA-N 1 0 255.308 3.317 10 0 CGAERO CC[NH2+][C@H](Cc1csc(C)n1)Cc1ccc(F)cc1 ZINC000055295505 520203759 /nfs/dbraw/zinc/20/37/59/520203759.db2.gz KYRSDMSXXSAFIE-AWEZNQCLSA-N 1 0 278.396 3.354 10 0 CGAERO CCCCC[NH2+]C[C@H](C)Oc1ccc(OC)cc1 ZINC000053567256 520224835 /nfs/dbraw/zinc/22/48/35/520224835.db2.gz ATEZAPLPOWCJII-ZDUSSCGKSA-N 1 0 251.370 3.242 10 0 CGAERO CCCCCO[C@@H](C[NH2+]C)c1cccc(OC)c1 ZINC000050500975 520245552 /nfs/dbraw/zinc/24/55/52/520245552.db2.gz YXNZWMFOBJAFKX-HNNXBMFYSA-N 1 0 251.370 3.163 10 0 CGAERO CCCOC[C@H]([NH2+]CC)c1cccc2cnccc21 ZINC000061124410 520256146 /nfs/dbraw/zinc/25/61/46/520256146.db2.gz PJMQKUYPXOELEX-INIZCTEOSA-N 1 0 258.365 3.312 10 0 CGAERO CCCCOCCO[C@@H](C[NH2+]CC(C)C)C(C)C ZINC000052628849 520791612 /nfs/dbraw/zinc/79/16/12/520791612.db2.gz KIJBMHNHMPPACL-HNNXBMFYSA-N 1 0 259.434 3.090 10 0 CGAERO CCCCOCC[C@@H](C[NH2+]C)Cc1cccc(F)c1 ZINC000052977073 520793814 /nfs/dbraw/zinc/79/38/14/520793814.db2.gz PJMKFQOHMOCWCD-OAHLLOKOSA-N 1 0 267.388 3.411 10 0 CGAERO CC[NH+](CC)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000073652709 520868848 /nfs/dbraw/zinc/86/88/48/520868848.db2.gz RKEDLWQETUATIO-INIZCTEOSA-N 1 0 290.407 3.129 10 0 CGAERO CCC[C@]1(C(=O)N(C)[C@H](C)C(C)(C)C)CCC[NH2+]C1 ZINC000062856820 521297646 /nfs/dbraw/zinc/29/76/46/521297646.db2.gz AFKDDCPJHHMDIO-CJNGLKHVSA-N 1 0 268.445 3.049 10 0 CGAERO CCOc1ccccc1OCCCC(C)(C)C[NH3+] ZINC000057713965 521565457 /nfs/dbraw/zinc/56/54/57/521565457.db2.gz VSEJEPXVPFNJEN-UHFFFAOYSA-N 1 0 251.370 3.229 10 0 CGAERO CCCn1c(C[C@@H](C)[NH2+]CC)nc2ccc(F)cc21 ZINC000061182009 521630771 /nfs/dbraw/zinc/63/07/71/521630771.db2.gz FEJWYJUIQUQUHT-LLVKDONJSA-N 1 0 263.360 3.126 10 0 CGAERO CCCN(CCC)C(=O)C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000153939072 521635750 /nfs/dbraw/zinc/63/57/50/521635750.db2.gz URHJLKJZKHNYKJ-GFCCVEGCSA-N 1 0 298.377 3.264 10 0 CGAERO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CC1CCCCC1 ZINC000054601971 521953211 /nfs/dbraw/zinc/95/32/11/521953211.db2.gz IGKOLKGKGVHMMV-MQVJKMGUSA-N 1 0 250.430 3.172 10 0 CGAERO C[NH2+]C[C@@H](Oc1cccc(OC)c1)c1ccccc1 ZINC000052655311 522038748 /nfs/dbraw/zinc/03/87/48/522038748.db2.gz APHYTMDEAZKQDE-MRXNPFEDSA-N 1 0 257.333 3.035 10 0 CGAERO C[NH2+]Cc1cc(CN(C)c2cccc(F)c2)c(C)o1 ZINC000052544578 522103060 /nfs/dbraw/zinc/10/30/60/522103060.db2.gz NVNKWTVSDSKDRG-UHFFFAOYSA-N 1 0 262.328 3.083 10 0 CGAERO CCc1csc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000103473089 522113993 /nfs/dbraw/zinc/11/39/93/522113993.db2.gz ATQRTLJJUOQPQO-CYBMUJFWSA-N 1 0 287.432 3.480 10 0 CGAERO C[NH2+]Cc1ccoc1COc1cccc(Cl)c1 ZINC000052674342 522144369 /nfs/dbraw/zinc/14/43/69/522144369.db2.gz MXAVUNUOIYJYIS-UHFFFAOYSA-N 1 0 251.713 3.231 10 0 CGAERO CC[C@H](C[NH2+]C1CC1)N1CCC(C(C)(C)C)CC1 ZINC000052373577 522191711 /nfs/dbraw/zinc/19/17/11/522191711.db2.gz NYRWFPNJWTUYDP-OAHLLOKOSA-N 1 0 252.446 3.275 10 0 CGAERO CC[C@H](C[NH2+]CC(C)C)N(C)Cc1cccc(F)c1 ZINC000052425245 522194617 /nfs/dbraw/zinc/19/46/17/522194617.db2.gz ROSDQRPIHBKYRD-MRXNPFEDSA-N 1 0 266.404 3.282 10 0 CGAERO C[NH2+][C@@H](Cc1ccc(Cl)cc1Cl)c1cncnc1 ZINC000052887171 522360029 /nfs/dbraw/zinc/36/00/29/522360029.db2.gz WWCQHVBANJVTLP-ZDUSSCGKSA-N 1 0 282.174 3.287 10 0 CGAERO C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1OC(F)(F)F ZINC000055231780 522387887 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523520177 /nfs/dbraw/zinc/52/01/77/523520177.db2.gz XBJLCUPYOBIITK-WCBMZHEXSA-N 1 0 269.439 3.292 10 0 CGAERO CCc1ccc(CC(C)(C)C[NH2+]CCOC)s1 ZINC000054638664 523910676 /nfs/dbraw/zinc/91/06/76/523910676.db2.gz AVJNUCPFSJSKPO-UHFFFAOYSA-N 1 0 255.427 3.115 10 0 CGAERO COc1ccc(CCC[NH2+]C2CC2)cc1Br ZINC000052949445 523938107 /nfs/dbraw/zinc/93/81/07/523938107.db2.gz XFOQFPASMOLCMS-UHFFFAOYSA-N 1 0 284.197 3.142 10 0 CGAERO COCC[NH2+]C[C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000054659787 523942620 /nfs/dbraw/zinc/94/26/20/523942620.db2.gz IFTIYWAVOCEWQN-LLVKDONJSA-N 1 0 275.314 3.120 10 0 CGAERO COCC[NH2+]C[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000054598748 523944956 /nfs/dbraw/zinc/94/49/56/523944956.db2.gz QSXPTBXCVJPBCG-MWLCHTKSSA-N 1 0 274.191 3.333 10 0 CGAERO CCc1ccc([C@H](C)[NH2+]CCn2c(C)csc2=O)cc1 ZINC000102686575 524045518 /nfs/dbraw/zinc/04/55/18/524045518.db2.gz SVWLZMOBVTUJMJ-ZDUSSCGKSA-N 1 0 290.432 3.131 10 0 CGAERO C[C@H]1CCC[C@H](SCc2nc(C(C)(C)[NH3+])no2)C1 ZINC000054694798 524212239 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Cc1[nH+]c2cc(N)ccc2n1[C@@H](C)Cc1ccco1 ZINC000052854088 527123173 /nfs/dbraw/zinc/12/31/73/527123173.db2.gz OVVGDWKPQZKTIB-JTQLQIEISA-N 1 0 255.321 3.324 10 0 CGAERO [NH3+]C[C@@H](Cc1cccc(Cl)c1)CC1CCOCC1 ZINC000052948024 527203989 /nfs/dbraw/zinc/20/39/89/527203989.db2.gz VTQZRFUOBMXCHI-CQSZACIVSA-N 1 0 267.800 3.274 10 0 CGAERO [NH3+]C[C@H](c1nc2cc(Cl)ccc2[nH]1)c1ccccc1 ZINC000061608814 527230845 /nfs/dbraw/zinc/23/08/45/527230845.db2.gz CAIPALXYACJCBK-LBPRGKRZSA-N 1 0 271.751 3.307 10 0 CGAERO [NH3+][C@H](CCCOCC(F)(F)F)Cc1ccccc1F ZINC000060696705 527385235 /nfs/dbraw/zinc/38/52/35/527385235.db2.gz HLVXHGUGBOFNJA-LLVKDONJSA-N 1 0 279.277 3.055 10 0 CGAERO O=C(Nc1nc2ccccc2s1)c1ccc2c(c1)C[NH2+]C2 ZINC000156648123 527517068 /nfs/dbraw/zinc/51/70/68/527517068.db2.gz XBCPRDVSDANOPR-UHFFFAOYSA-N 1 0 295.367 3.152 10 0 CGAERO CCC[NH2+]C1CCN(c2ccc(F)cc2Cl)CC1 ZINC000037635617 535158241 /nfs/dbraw/zinc/15/82/41/535158241.db2.gz BVJRJQMDGMATPZ-UHFFFAOYSA-N 1 0 270.779 3.448 10 0 CGAERO CC(C)(C)S[C@@H](C[NH3+])C(F)(F)C(F)(F)F ZINC000616570532 570408983 /nfs/dbraw/zinc/40/89/83/570408983.db2.gz SOOAJGYCBXZSNC-YFKPBYRVSA-N 1 0 251.264 3.043 10 0 CGAERO CC(C)[NH2+]CC[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000381994998 570250703 /nfs/dbraw/zinc/25/07/03/570250703.db2.gz PTOOHNOORCQEPA-STQMWFEESA-N 1 0 270.417 3.068 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1ccc(Br)cc1 ZINC000217635767 572395227 /nfs/dbraw/zinc/39/52/27/572395227.db2.gz WCLUSBLADTWWRZ-ZLKJLUDKSA-N 1 0 298.224 3.403 10 0 CGAERO Fc1ccccc1[C@@H]1CCOC2(CCSCC2)[NH2+]1 ZINC000757143615 617793765 /nfs/dbraw/zinc/79/37/65/617793765.db2.gz DQCROLQRFOFRMQ-ZDUSSCGKSA-N 1 0 267.369 3.100 10 0 CGAERO FC(F)(F)[C@H]1CCC[C@@]2(C1)[NH2+]CCC1(CCC1)O2 ZINC000757145022 617800081 /nfs/dbraw/zinc/80/00/81/617800081.db2.gz HKUNDLCAOYGPQP-CMPLNLGQSA-N 1 0 263.303 3.368 10 0 CGAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@]12CCCC(C)(C)C2 ZINC000757187323 617837174 /nfs/dbraw/zinc/83/71/74/617837174.db2.gz ZFDSTDCTKCWKCT-MLGOLLRUSA-N 1 0 267.413 3.134 10 0 CGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)/C=C(\C)c1ccccc1 ZINC000177010721 618771719 /nfs/dbraw/zinc/77/17/19/618771719.db2.gz HOOCLWFMWXNJRO-VOGRQWBCSA-N 1 0 286.419 3.033 10 0 CGAERO Cc1cccc(C)c1NC(=O)C[NH2+]CCc1ccccc1 ZINC000066212974 618833783 /nfs/dbraw/zinc/83/37/83/618833783.db2.gz KLJPSHOOBSESES-UHFFFAOYSA-N 1 0 282.387 3.074 10 0 CGAERO CN(C)C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1 ZINC000311892931 618920775 /nfs/dbraw/zinc/92/07/75/618920775.db2.gz WRCWVHUSSQUGHE-TWMKSMIVSA-N 1 0 258.409 3.068 10 0 CGAERO CC(C)(CO)[NH2+]C1c2ccccc2-c2ccccc21 ZINC000020196362 618976646 /nfs/dbraw/zinc/97/66/46/618976646.db2.gz SSEQEDYAXHUPNL-UHFFFAOYSA-N 1 0 253.345 3.117 10 0 CGAERO CC(C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185266791 619059286 /nfs/dbraw/zinc/05/92/86/619059286.db2.gz QEGAPIZENREJBE-VIFPVBQESA-N 1 0 256.733 3.382 10 0 CGAERO CCCCCC(C)(C)CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000094988597 619267893 /nfs/dbraw/zinc/26/78/93/619267893.db2.gz AARHRYRLISCTFL-KGLIPLIRSA-N 1 0 268.445 3.084 10 0 CGAERO Clc1ccc(Cc2noc([C@H]3CC[NH2+]C3)n2)cc1Cl ZINC000062119795 619282470 /nfs/dbraw/zinc/28/24/70/619282470.db2.gz AGLHHCGYCTYUSL-VIFPVBQESA-N 1 0 298.173 3.044 10 0 CGAERO C([NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)C1CCCCCCC1 ZINC000261937406 619487740 /nfs/dbraw/zinc/48/77/40/619487740.db2.gz MLDAPCPZYBBMCG-KZNAEPCWSA-N 1 0 294.483 3.094 10 0 CGAERO CC[C@H]([NH2+]C[C@](C)(O)c1ccccc1)c1nccs1 ZINC000080280048 620540709 /nfs/dbraw/zinc/54/07/09/620540709.db2.gz CSFGKFXZDWINBQ-ZFWWWQNUSA-N 1 0 276.405 3.092 10 0 CGAERO COc1ncc(-c2ccc([C@H](OC)[C@H](C)[NH3+])cc2)cc1C ZINC000906191424 622178945 /nfs/dbraw/zinc/17/89/45/622178945.db2.gz VTZCMHQCQQWBDW-BLLLJJGKSA-N 1 0 286.375 3.100 10 0 CGAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@H](C)N2CCCCC2)c1C ZINC000045171903 622846771 /nfs/dbraw/zinc/84/67/71/622846771.db2.gz FAXZZDXLVBGZCS-KBPBESRZSA-N 1 0 292.471 3.045 10 0 CGAERO [NH3+][C@@H]1CC[C@H](CNc2ccnc3cc(Cl)ccc32)C1 ZINC000227644082 623025641 /nfs/dbraw/zinc/02/56/41/623025641.db2.gz HKGHLEJYHSMRTA-CMPLNLGQSA-N 1 0 275.783 3.428 10 0 CGAERO Cc1cccc(NC[C@@H]2CC[N@H+](C[Si](C)(C)C)C2)n1 ZINC000171736080 623188425 /nfs/dbraw/zinc/18/84/25/623188425.db2.gz HTOMXAPCIFADEB-AWEZNQCLSA-N 1 0 277.488 3.001 10 0 CGAERO C[C@H]([NH2+]C[C@H]1COC(C)(C)O1)c1cccc(Cl)c1 ZINC000230203346 623221670 /nfs/dbraw/zinc/22/16/70/623221670.db2.gz GFNONNJNWKGDGJ-GWCFXTLKSA-N 1 0 269.772 3.142 10 0 CGAERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2COC(C)(C)O2)c(C)c1 ZINC000230212542 623222584 /nfs/dbraw/zinc/22/25/84/623222584.db2.gz JEORCBDHVKAYHQ-UONOGXRCSA-N 1 0 263.381 3.106 10 0 CGAERO COC1CC([NH2+][C@@H](C)c2sccc2Br)C1 ZINC000230674487 623259478 /nfs/dbraw/zinc/25/94/78/623259478.db2.gz XPFPDCOIWXUAPN-UEJVZZJDSA-N 1 0 290.226 3.339 10 0 CGAERO C[C@@H]([NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1CC1 ZINC000230970028 623289859 /nfs/dbraw/zinc/28/98/59/623289859.db2.gz OOGSMSMHEQNDDQ-GFCCVEGCSA-N 1 0 284.444 3.410 10 0 CGAERO Fc1ccc(-c2nc(C[C@@H]3CCC[NH2+]C3)no2)c(Cl)c1 ZINC000063084472 623293451 /nfs/dbraw/zinc/29/34/51/623293451.db2.gz LQCQVVNJYFNTQQ-VIFPVBQESA-N 1 0 295.745 3.071 10 0 CGAERO FC(F)(F)C1CCC([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000085126038 625795487 /nfs/dbraw/zinc/79/54/87/625795487.db2.gz NJXXSYGDKOBESL-MCIGGMRASA-N 1 0 265.319 3.266 10 0 CGAERO CO[C@H]1CCC[C@@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000085126203 625795610 /nfs/dbraw/zinc/79/56/10/625795610.db2.gz QKRNIAAISPPZIY-QQFIATSDSA-N 1 0 265.319 3.265 10 0 CGAERO Fc1c(Cl)cccc1-c1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000124931529 634533096 /nfs/dbraw/zinc/53/30/96/634533096.db2.gz MFEFRENGBJPURR-SECBINFHSA-N 1 0 295.745 3.071 10 0 CGAERO Cc1cc(C)cc(C2(C(=O)OC(C)(C)C)CC([NH3+])C2)c1 ZINC000757176716 630588044 /nfs/dbraw/zinc/58/80/44/630588044.db2.gz GJAGMJLFPSYGRL-UHFFFAOYSA-N 1 0 275.392 3.004 10 0 CGAERO CCCC(CCC)c1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000212084696 636274418 /nfs/dbraw/zinc/27/44/18/636274418.db2.gz AYVSCLLCGKFMDY-LBPRGKRZSA-N 1 0 265.401 3.296 10 0 CGAERO CC(C)N(C)c1ccc(NC[C@H]2CCC[NH2+]C2)cc1F ZINC000130905832 636527838 /nfs/dbraw/zinc/52/78/38/636527838.db2.gz LZKBVIYZWNOUIF-ZDUSSCGKSA-N 1 0 279.403 3.082 10 0 CGAERO c1ccc2c(c1)OC[C@H]2[NH2+]Cc1cncc2ccccc21 ZINC000135779268 637176766 /nfs/dbraw/zinc/17/67/66/637176766.db2.gz VTUWPWJWGCURJP-QGZVFWFLSA-N 1 0 276.339 3.458 10 0 CGAERO C[NH+](C)C[C@@H](NC(=O)/C=C/c1ccccc1)c1ccccc1 ZINC000007816490 637346395 /nfs/dbraw/zinc/34/63/95/637346395.db2.gz FVPNNOHHZPPGOT-KAUXGEHWSA-N 1 0 294.398 3.119 10 0 CGAERO CC(C)[C@H](C)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000300206439 637826959 /nfs/dbraw/zinc/82/69/59/637826959.db2.gz WPKDJZBNASNETA-IHRRRGAJSA-N 1 0 284.444 3.409 10 0 CGAERO c1csc(CC[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000114202199 638355844 /nfs/dbraw/zinc/35/58/44/638355844.db2.gz UZVDQGRTRIOTHS-AWEZNQCLSA-N 1 0 261.394 3.241 10 0 CGAERO C/C(=C\C(=O)N[C@@H]1CCC[NH2+][C@H]1C)c1cccc(Cl)c1 ZINC000193509699 640467500 /nfs/dbraw/zinc/46/75/00/640467500.db2.gz JFIJVHRCFHSDAQ-PVUWTNIMSA-N 1 0 292.810 3.000 10 0 CGAERO Cc1cc(C)cc(Cc2noc([C@H]3CCC[C@@H]3C[NH3+])n2)c1 ZINC000089431181 640645339 /nfs/dbraw/zinc/64/53/39/640645339.db2.gz RJSKVQUZXOSHNK-CABCVRRESA-N 1 0 285.391 3.120 10 0 CGAERO CCCCC[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccccc1 ZINC000091667531 640718332 /nfs/dbraw/zinc/71/83/32/640718332.db2.gz RSMFLQSEPGAXME-ZWKOTPCHSA-N 1 0 290.451 3.228 10 0 CGAERO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000248000024 640738829 /nfs/dbraw/zinc/73/88/29/640738829.db2.gz KIMNVNXGBXZBPF-CJQITXGSSA-N 1 0 259.393 3.059 10 0 CGAERO O[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000250843388 640817244 /nfs/dbraw/zinc/81/72/44/640817244.db2.gz MOFVPRHATBAJBR-AALSBFMBSA-N 1 0 251.414 3.096 10 0 CGAERO [NH3+][C@@H]1CC[C@H](c2nc(Cc3ccc(F)cc3Cl)no2)C1 ZINC000097068298 640854849 /nfs/dbraw/zinc/85/48/49/640854849.db2.gz QHHZFBKZSLJEIA-GXSJLCMTSA-N 1 0 295.745 3.048 10 0 CGAERO CC[NH2+]Cc1sc(-c2ccccn2)nc1C(C)C ZINC000082429776 178007677 /nfs/dbraw/zinc/00/76/77/178007677.db2.gz INUJQFFGIMQOTA-UHFFFAOYSA-N 1 0 261.394 3.438 10 0 CGAERO C[NH2+]Cc1sc(N2CCCCCC2)nc1C(C)C ZINC000082434987 178012349 /nfs/dbraw/zinc/01/23/49/178012349.db2.gz HKZKXMUVNUHPEP-UHFFFAOYSA-N 1 0 267.442 3.366 10 0 CGAERO C[NH2+]Cc1sc(-c2ccc(OC)cc2)nc1C1CC1 ZINC000082436698 178014537 /nfs/dbraw/zinc/01/45/37/178014537.db2.gz YCTAPLKEQRRTFP-UHFFFAOYSA-N 1 0 274.389 3.416 10 0 CGAERO COCCc1nc(C(C)(C)C)c(C[NH2+]C(C)C)s1 ZINC000082438810 178017120 /nfs/dbraw/zinc/01/71/20/178017120.db2.gz IJHJCASGZJLFJD-UHFFFAOYSA-N 1 0 270.442 3.128 10 0 CGAERO [NH3+]CC1(c2ccc(Br)s2)CCCC1 ZINC000082621192 178133158 /nfs/dbraw/zinc/13/31/58/178133158.db2.gz JDHVCFYHDPIYOY-UHFFFAOYSA-N 1 0 260.200 3.281 10 0 CGAERO C[C@H]1COC2(C1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096089748 185093411 /nfs/dbraw/zinc/09/34/11/185093411.db2.gz NKBYJWAAEQZSSX-CYBMUJFWSA-N 1 0 263.356 3.217 10 0 CGAERO Cc1cc(C)c(C(=O)[C@@H]2CCC[NH2+]2)c(C)c1Br ZINC000083161585 178346065 /nfs/dbraw/zinc/34/60/65/178346065.db2.gz SYPWJPZLNFZSBU-NSHDSACASA-N 1 0 296.208 3.309 10 0 CGAERO CC(C)(CC[NH3+])c1cc(Br)ccc1F ZINC000083256314 178371987 /nfs/dbraw/zinc/37/19/87/178371987.db2.gz BZVWSFHABXCWBW-UHFFFAOYSA-N 1 0 260.150 3.215 10 0 CGAERO COc1cc([C@H](C)CC[NH3+])c(OC)cc1C(C)C ZINC000096889205 185124077 /nfs/dbraw/zinc/12/40/77/185124077.db2.gz NTJITUZHBGTPHB-LLVKDONJSA-N 1 0 251.370 3.280 10 0 CGAERO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCOc2ccccc21 ZINC000126694990 187256020 /nfs/dbraw/zinc/25/60/20/187256020.db2.gz BADYIFLDTXLAMJ-GUYCJALGSA-N 1 0 283.371 3.437 10 0 CGAERO CC[NH+](CC)CCCOc1ccc2c(C)cc(=O)oc2c1 ZINC000005470940 344861965 /nfs/dbraw/zinc/86/19/65/344861965.db2.gz UDVYANVPBSOJFN-UHFFFAOYSA-N 1 0 289.375 3.212 10 0 CGAERO CCC[NH+](CCC)[C@H]1CCc2cc(F)c(N)cc2C1 ZINC000013741691 344881086 /nfs/dbraw/zinc/88/10/86/344881086.db2.gz ZCWXEQRWNZXNOJ-AWEZNQCLSA-N 1 0 264.388 3.387 10 0 CGAERO CCC(=O)N(c1ccccc1)[C@H]1CCCC[C@@H]1[NH+](C)C ZINC000028237950 344913690 /nfs/dbraw/zinc/91/36/90/344913690.db2.gz FYMBNVYLYZOADF-HOTGVXAUSA-N 1 0 274.408 3.302 10 0 CGAERO COc1ccc2c(c1)O[C@H](C[NH2+]Cc1cccs1)CC2 ZINC000039025029 344957333 /nfs/dbraw/zinc/95/73/33/344957333.db2.gz CDFXJWAUYCQCBJ-AWEZNQCLSA-N 1 0 289.400 3.240 10 0 CGAERO CC(C)C[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000037030914 344946725 /nfs/dbraw/zinc/94/67/25/344946725.db2.gz ZLNRZZZZEXMUAV-CXAGYDPISA-N 1 0 288.435 3.116 10 0 CGAERO O[C@H]1CCC[C@H]([NH2+]Cc2ccc3ccccc3c2)C1 ZINC000037164181 344948171 /nfs/dbraw/zinc/94/81/71/344948171.db2.gz ISEUIOXIIRMJJA-IRXDYDNUSA-N 1 0 255.361 3.233 10 0 CGAERO c1ccc2c(c1)CC[C@H]2[NH2+]Cc1cnc2ccccc2n1 ZINC000037229838 344948856 /nfs/dbraw/zinc/94/88/56/344948856.db2.gz WAWRRXOUHGTTLY-MRXNPFEDSA-N 1 0 275.355 3.407 10 0 CGAERO C[C@@H]1Oc2c(c(Cl)c(Cl)cc2Cl)[C@@H]1[NH3+] ZINC000043640984 345002743 /nfs/dbraw/zinc/00/27/43/345002743.db2.gz FQFVIPZEDJQAKU-FIQSIYOXSA-N 1 0 252.528 3.428 10 0 CGAERO C[C@H]([NH3+])Cc1cc(Br)c(Br)s1 ZINC000044460553 345010412 /nfs/dbraw/zinc/01/04/12/345010412.db2.gz OUAGXZQDLOAORB-BYPYZUCNSA-N 1 0 299.031 3.163 10 0 CGAERO CC(C)[NH2+]CCC(=O)c1ccc(Br)cc1 ZINC000049861309 345075854 /nfs/dbraw/zinc/07/58/54/345075854.db2.gz QYKMLEHGROTZLV-UHFFFAOYSA-N 1 0 270.170 3.020 10 0 CGAERO Brc1ccc(SC[C@@H]2CC[NH2+]C2)cc1 ZINC000051890991 345092892 /nfs/dbraw/zinc/09/28/92/345092892.db2.gz FDDRFKBIYYIYMD-SECBINFHSA-N 1 0 272.211 3.151 10 0 CGAERO CC(C)C[C@H]([NH3+])[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000054929353 345140554 /nfs/dbraw/zinc/14/05/54/345140554.db2.gz YNOSRLHJWGAIAY-RYUDHWBXSA-N 1 0 262.180 3.400 10 0 CGAERO c1cnn(CCCCC[N@@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000116290287 232184262 /nfs/dbraw/zinc/18/42/62/232184262.db2.gz IEPMKMRDRIKNSF-OAHLLOKOSA-N 1 0 273.380 3.484 10 0 CGAERO CCCN(Cc1ccc(C)cc1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000070575950 345392221 /nfs/dbraw/zinc/39/22/21/345392221.db2.gz DUGPRWAVERTHAZ-IRXDYDNUSA-N 1 0 288.435 3.251 10 0 CGAERO CCC[C@H]1[NH2+]CCc2c(Br)cccc21 ZINC000070821280 345396458 /nfs/dbraw/zinc/39/64/58/345396458.db2.gz POWAKQDUOXUTEE-GFCCVEGCSA-N 1 0 254.171 3.436 10 0 CGAERO OC1(C[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)CCCC1 ZINC000087016929 345752121 /nfs/dbraw/zinc/75/21/21/345752121.db2.gz GVPRSDWMKOPRJR-WDEREUQCSA-N 1 0 265.319 3.002 10 0 CGAERO CC1(C)C[N@H+](Cc2ccccc2)C2(CCCC2)CN1 ZINC000082936362 345723526 /nfs/dbraw/zinc/72/35/26/345723526.db2.gz WQRASDKXLMNYOQ-UHFFFAOYSA-N 1 0 258.409 3.183 10 0 CGAERO c1ccc2[nH]c(N3CCC[C@@H]([NH+]4CCCCCC4)C3)nc2c1 ZINC000091482381 345816743 /nfs/dbraw/zinc/81/67/43/345816743.db2.gz IPJOPIPFQXQNNO-OAHLLOKOSA-N 1 0 298.434 3.408 10 0 CGAERO COc1ccc(C[NH2+][C@H]2CCC[C@H](O)C2)c2ccccc12 ZINC000109133091 345940087 /nfs/dbraw/zinc/94/00/87/345940087.db2.gz BWYJDHKYPJMSMY-GJZGRUSLSA-N 1 0 285.387 3.242 10 0 CGAERO CC(C)C[C@@H](CN(C)C)[NH2+]Cc1ccnc2ccccc12 ZINC000111763662 345950709 /nfs/dbraw/zinc/95/07/09/345950709.db2.gz IJORBPVEBXPUQH-INIZCTEOSA-N 1 0 285.435 3.301 10 0 CGAERO CC(C)[C@H](CC1CCCCC1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000115361981 345971387 /nfs/dbraw/zinc/97/13/87/345971387.db2.gz DRURVLUQOSOFNQ-SJORKVTESA-N 1 0 294.483 3.392 10 0 CGAERO COc1ccccc1[C@@H]1C[NH2+]CCCN1c1ccccc1 ZINC000117606365 345985170 /nfs/dbraw/zinc/98/51/70/345985170.db2.gz FHTBQFYHCGTIGM-KRWDZBQOSA-N 1 0 282.387 3.236 10 0 CGAERO O=C(Nc1ccc([C@H]2CC[NH2+]C2)cc1)c1ccccc1 ZINC000117718182 345985736 /nfs/dbraw/zinc/98/57/36/345985736.db2.gz MSKGDBYYEZFIOF-HNNXBMFYSA-N 1 0 266.344 3.016 10 0 CGAERO C[NH2+][C@H](C)[C@H](C)c1cc(Br)ccc1F ZINC000132288341 346070904 /nfs/dbraw/zinc/07/09/04/346070904.db2.gz JAQUMDZHXUWRAU-JGVFFNPUSA-N 1 0 260.150 3.300 10 0 CGAERO C[C@@H]1CC[C@H]([C@H]([NH3+])c2cscc2Br)O1 ZINC000132230803 346070956 /nfs/dbraw/zinc/07/09/56/346070956.db2.gz KKGZPRALDTWMGU-BDODKLCJSA-N 1 0 276.199 3.078 10 0 CGAERO C[NH2+][C@H]1CSC[C@@H]1Cc1ccc(Br)s1 ZINC000134584870 346083168 /nfs/dbraw/zinc/08/31/68/346083168.db2.gz QZYKKDOGFJXIDG-CBAPKCEASA-N 1 0 292.267 3.004 10 0 CGAERO O=Cc1ccc(OCC2CCN(c3ccccn3)CC2)cc1 ZINC000137654920 346094515 /nfs/dbraw/zinc/09/45/15/346094515.db2.gz LHEQMSFQRHCPHI-UHFFFAOYSA-N 1 0 296.370 3.190 10 0 CGAERO O=C1CCCC2=C1CC[C@H]([NH2+]CCc1cccs1)C2 ZINC000137665927 346094669 /nfs/dbraw/zinc/09/46/69/346094669.db2.gz HVDVDXUWIINBQB-ZDUSSCGKSA-N 1 0 275.417 3.482 10 0 CGAERO COc1ccccc1-c1cc(Cl)cc2c1O[C@@H](C[NH3+])C2 ZINC000138611264 346096783 /nfs/dbraw/zinc/09/67/83/346096783.db2.gz MFUXFQGHGFRLBC-GFCCVEGCSA-N 1 0 289.762 3.278 10 0 CGAERO CC[C@@H]1C[NH2+]Cc2cc3ccc(Br)cc3n21 ZINC000143356072 346113680 /nfs/dbraw/zinc/11/36/80/346113680.db2.gz UQFJPJRKNBLEHC-LLVKDONJSA-N 1 0 279.181 3.458 10 0 CGAERO FC1(F)C[C@@H]1COc1ccc(C2CC[NH2+]CC2)cc1 ZINC000143620075 346114930 /nfs/dbraw/zinc/11/49/30/346114930.db2.gz JDRUYYYPOSUKFE-CYBMUJFWSA-N 1 0 267.319 3.188 10 0 CGAERO O[C@@H]1C[C@H](Cc2ccccc2)C[N@H+](Cc2ccccc2)C1 ZINC000147297943 346125682 /nfs/dbraw/zinc/12/56/82/346125682.db2.gz PKBSNRGRYVZYEC-RBUKOAKNSA-N 1 0 281.399 3.112 10 0 CGAERO COc1cccc(C[C@H]2[NH2+]CCc3ccsc32)c1 ZINC000149657454 346130861 /nfs/dbraw/zinc/13/08/61/346130861.db2.gz DRUUOPNLIVITTF-CQSZACIVSA-N 1 0 259.374 3.186 10 0 CGAERO CC(C)(C)[C@H]([NH3+])c1ccccc1I ZINC000162848363 346180308 /nfs/dbraw/zinc/18/03/08/346180308.db2.gz QIOPDGNKYCZGSD-SNVBAGLBSA-N 1 0 289.160 3.337 10 0 CGAERO CC[C@@H]1CC[C@@H](CCc2ccccc2NC=O)[N@H+](C)C1 ZINC000165434809 346184256 /nfs/dbraw/zinc/18/42/56/346184256.db2.gz NZEAMXVHHJRCEN-ZBFHGGJFSA-N 1 0 274.408 3.308 10 0 CGAERO CC[C@@H]1C[C@]1([NH3+])c1ccc(F)c(Br)c1 ZINC000169252030 346192747 /nfs/dbraw/zinc/19/27/47/346192747.db2.gz FOCYTZOFOZFSBI-RDDDGLTNSA-N 1 0 258.134 3.172 10 0 CGAERO CC1(C)CS[C@H](c2occc2Br)N1 ZINC000232805888 346328253 /nfs/dbraw/zinc/32/82/53/346328253.db2.gz FSFDANXGYRDSRP-MRVPVSSYSA-N 1 0 262.172 3.156 10 0 CGAERO CC[C@H]([NH2+]Cc1ccc(C(=O)OC)c(F)c1)C(C)C ZINC000234029562 346330261 /nfs/dbraw/zinc/33/02/61/346330261.db2.gz IWBOGGRMQULRDL-AWEZNQCLSA-N 1 0 267.344 3.137 10 0 CGAERO CC[C@H]1C[C@]1([NH3+])c1ccc(C)cc1Br ZINC000234047563 346330282 /nfs/dbraw/zinc/33/02/82/346330282.db2.gz JJCSEKFRDKSLAS-JOYOIKCWSA-N 1 0 254.171 3.341 10 0 CGAERO CC[C@@H]([NH2+]Cc1ccc(C(=O)OC)c(F)c1)C(C)C ZINC000233899678 346330378 /nfs/dbraw/zinc/33/03/78/346330378.db2.gz IWBOGGRMQULRDL-CQSZACIVSA-N 1 0 267.344 3.137 10 0 CGAERO Cc1sc([C@@H]2C[NH2+][C@@H](C)C2)cc1Br ZINC000227972951 346312508 /nfs/dbraw/zinc/31/25/08/346312508.db2.gz YWAJWLNTEPNOAG-XPUUQOCRSA-N 1 0 260.200 3.284 10 0 CGAERO [NH3+][C@@H]1CCC[C@H]1c1cccc(Br)c1F ZINC000229828543 346318386 /nfs/dbraw/zinc/31/83/86/346318386.db2.gz NNGREOBEGXPGCG-OIBJUYFYSA-N 1 0 258.134 3.183 10 0 CGAERO Cc1cc(C)cc(-c2ccc3[nH+]c(N)nc(N)c3c2C)c1 ZINC000085389549 179047891 /nfs/dbraw/zinc/04/78/91/179047891.db2.gz UISBLOQSTOLZMR-UHFFFAOYSA-N 1 0 278.359 3.386 10 0 CGAERO C[NH2+][C@H](C)c1ccc(F)c(F)c1Br ZINC000231873540 346323391 /nfs/dbraw/zinc/32/33/91/346323391.db2.gz GANSFEJGFJMDBL-RXMQYKEDSA-N 1 0 250.086 3.008 10 0 CGAERO C[NH+](C)CCNc1ccc(Br)c(Cl)c1 ZINC000232195964 346325522 /nfs/dbraw/zinc/32/55/22/346325522.db2.gz XLQXAPDICJEGIU-UHFFFAOYSA-N 1 0 277.593 3.076 10 0 CGAERO C[C@H]([NH3+])C1(Cc2ccc(Br)s2)CC1 ZINC000235469200 346335969 /nfs/dbraw/zinc/33/59/69/346335969.db2.gz YUHPWZMXUUKINI-ZETCQYMHSA-N 1 0 260.200 3.181 10 0 CGAERO C[N@@H+]1CCC[C@H](O)[C@H]1C(c1ccccc1)c1ccccc1 ZINC000256226522 346399354 /nfs/dbraw/zinc/39/93/54/346399354.db2.gz DQNBDZSLMWHFTB-HKUYNNGSSA-N 1 0 281.399 3.274 10 0 CGAERO Cc1sc([C@H]2[C@@H]([NH3+])C2(C)C)cc1Br ZINC000301028335 346439196 /nfs/dbraw/zinc/43/91/96/346439196.db2.gz SYTBKPFVPFYBGJ-DTWKUNHWSA-N 1 0 260.200 3.270 10 0 CGAERO [NH3+]CC[C@@H]1CC[C@@H](c2cscc2Br)O1 ZINC000306597405 346455880 /nfs/dbraw/zinc/45/58/80/346455880.db2.gz OHSNNGKWQFKACV-XVKPBYJWSA-N 1 0 276.199 3.080 10 0 CGAERO C[C@H]1[N@H+](Cc2ccccc2)CC[C@@]12NCC[C@@H](C)S2 ZINC000306733320 346457056 /nfs/dbraw/zinc/45/70/56/346457056.db2.gz SYGUXDSCMPYFSG-FMKPAKJESA-N 1 0 276.449 3.092 10 0 CGAERO C[NH2+]Cc1cc(Br)c(C)c(Br)c1 ZINC000307700531 346464823 /nfs/dbraw/zinc/46/48/23/346464823.db2.gz QMLKHVAKYLRSGN-UHFFFAOYSA-N 1 0 293.002 3.239 10 0 CGAERO Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2CO)cc1Cl ZINC000195444142 232520241 /nfs/dbraw/zinc/52/02/41/232520241.db2.gz IWTFSRFMUGJARQ-ZFWWWQNUSA-N 1 0 267.800 3.289 10 0 CGAERO C[NH2+][C@H](c1ccccc1)c1cc(Br)ccc1N ZINC000584646263 346703846 /nfs/dbraw/zinc/70/38/46/346703846.db2.gz WDXBQFLBMYKXSF-CQSZACIVSA-N 1 0 291.192 3.340 10 0 CGAERO Cc1cc(NC=O)c(OC(C)C)cc1C1CC[NH+](C)CC1 ZINC000584655961 346705638 /nfs/dbraw/zinc/70/56/38/346705638.db2.gz FCCNQDLXECGCPF-UHFFFAOYSA-N 1 0 290.407 3.160 10 0 CGAERO COCCOc1cc(C[C@H]([NH3+])CC(C)C)ccc1Cl ZINC000584595083 346686831 /nfs/dbraw/zinc/68/68/31/346686831.db2.gz ZPMNHXFAPUNPOC-CYBMUJFWSA-N 1 0 285.815 3.281 10 0 CGAERO CCC[C@H](CO)[C@@](C[NH3+])(CCC)c1cccc(OC)c1 ZINC000584596843 346687542 /nfs/dbraw/zinc/68/75/42/346687542.db2.gz NHZSQBZWMKOYHI-NVXWUHKLSA-N 1 0 279.424 3.100 10 0 CGAERO C[N@@H+]1CC[C@H](c2ccccc2)c2ccc(O)cc2C1 ZINC000584617071 346693711 /nfs/dbraw/zinc/69/37/11/346693711.db2.gz FMWOKLKALGCKQT-QGZVFWFLSA-N 1 0 253.345 3.360 10 0 CGAERO Cc1cccc(C)c1[C@]1(O)CC[N@@H+]2CCCC[C@@H]2C1 ZINC000584625422 346697223 /nfs/dbraw/zinc/69/72/23/346697223.db2.gz MAZYAQHCVVAFNR-WBVHZDCISA-N 1 0 259.393 3.139 10 0 CGAERO Clc1ccc(Nc2ccc([C@H]3C[NH2+]CCO3)nc2)cc1 ZINC000584633580 346699811 /nfs/dbraw/zinc/69/98/11/346699811.db2.gz UBOVDXSEPYEZIZ-OAHLLOKOSA-N 1 0 289.766 3.140 10 0 CGAERO CC(C)(C)[NH2+]CC1(O[C@H]2CCOC2)CCCCCC1 ZINC000104110681 185897234 /nfs/dbraw/zinc/89/72/34/185897234.db2.gz DTYWYOVYWYYWRD-AWEZNQCLSA-N 1 0 269.429 3.273 10 0 CGAERO [NH3+]Cc1cc(C(F)(F)F)ccc1OC(F)(F)F ZINC000616579553 348835014 /nfs/dbraw/zinc/83/50/14/348835014.db2.gz DRQKCKIPSCIYMZ-UHFFFAOYSA-N 1 0 259.149 3.063 10 0 CGAERO CC(C)[N@@H+]1CCOC[C@H](c2cccc3ccncc32)C1 ZINC000616593065 348838602 /nfs/dbraw/zinc/83/86/02/348838602.db2.gz HUIOLUKZAFQIHH-OAHLLOKOSA-N 1 0 270.376 3.059 10 0 CGAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2cccc3ccnnc32)CC1 ZINC000616596537 348839841 /nfs/dbraw/zinc/83/98/41/348839841.db2.gz ZPAWWCWVIQGMKA-OAHLLOKOSA-N 1 0 285.391 3.192 10 0 CGAERO CC(=O)Nc1cccc([C@H]2CC[N@@H+](C(C)(C)C)CCO2)c1 ZINC000616596489 348839887 /nfs/dbraw/zinc/83/98/87/348839887.db2.gz XAEZJJCDQGCXCH-MRXNPFEDSA-N 1 0 290.407 3.207 10 0 CGAERO CC(C)[N@@H+]1CCOCC[C@@H]1c1cncc2ccccc21 ZINC000616598972 348841079 /nfs/dbraw/zinc/84/10/79/348841079.db2.gz MXPQLVAHQZOQBV-QGZVFWFLSA-N 1 0 270.376 3.407 10 0 CGAERO OCCc1cccc([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000616612156 348845979 /nfs/dbraw/zinc/84/59/79/348845979.db2.gz SVQJKPAMTOUNIW-LJQANCHMSA-N 1 0 281.399 3.211 10 0 CGAERO [NH3+]CCN1CCCCC[C@@H]1c1ccccc1Cl ZINC000616623896 348849939 /nfs/dbraw/zinc/84/99/39/348849939.db2.gz LKRDUIRPZDLZFD-CQSZACIVSA-N 1 0 252.789 3.216 10 0 CGAERO CC(C)(C)[N@@H+]1CCOC[C@@H]1c1ccc2cccnc2c1 ZINC000616637679 348853808 /nfs/dbraw/zinc/85/38/08/348853808.db2.gz OUGKVQXXCLGFHO-MRXNPFEDSA-N 1 0 270.376 3.407 10 0 CGAERO CC(C)(C)[N@@H+]1CCCO[C@H](c2ccc3nnccc3c2)C1 ZINC000616650191 348856687 /nfs/dbraw/zinc/85/66/87/348856687.db2.gz WIJYLUSVIHKJFT-INIZCTEOSA-N 1 0 285.391 3.192 10 0 CGAERO c1ccc(C[N@@H+]2CCCO[C@@H](c3ccccn3)C2)cc1 ZINC000616652383 348856727 /nfs/dbraw/zinc/85/67/27/348856727.db2.gz WRJJTCBYAVIVHS-QGZVFWFLSA-N 1 0 268.360 3.045 10 0 CGAERO c1ccc(C[N@@H+]2CCCO[C@H](c3cccnc3)C2)cc1 ZINC000616651432 348856785 /nfs/dbraw/zinc/85/67/85/348856785.db2.gz AEXTXMGDUUXEQO-KRWDZBQOSA-N 1 0 268.360 3.045 10 0 CGAERO CC(C)[N@@H+]1CCOC[C@@H](c2ccc3ccccc3n2)C1 ZINC000616660010 348858658 /nfs/dbraw/zinc/85/86/58/348858658.db2.gz IRTQWDCOYGPLLK-HNNXBMFYSA-N 1 0 270.376 3.059 10 0 CGAERO CC(C)[N@@H+]1CCOC[C@H](c2ccc3cccnc3c2)C1 ZINC000616658389 348859067 /nfs/dbraw/zinc/85/90/67/348859067.db2.gz DMFONXBTZKUBEK-MRXNPFEDSA-N 1 0 270.376 3.059 10 0 CGAERO C[N@@H+]1CCc2ccccc2[C@@H]1c1cnnc2ccccc21 ZINC000616677065 348863833 /nfs/dbraw/zinc/86/38/33/348863833.db2.gz HKPCIMWQGQKSAH-GOSISDBHSA-N 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299.465 3.022 10 0 CGAERO CCCCCCOC[C@@H](O)C[NH2+][C@H](C)C(CC)CC ZINC000104444512 186004011 /nfs/dbraw/zinc/00/40/11/186004011.db2.gz QQVHDFPQBDQBEF-ZBFHGGJFSA-N 1 0 273.461 3.359 10 0 CGAERO CC(C)(C)OC(=O)N1CCC[C@@]2(C[NH2+][C@@H]3CCCC[C@@H]32)C1 ZINC000091303220 180129623 /nfs/dbraw/zinc/12/96/23/180129623.db2.gz FNSZQFZQISBTBY-JJRVBVJISA-N 1 0 294.439 3.166 10 0 CGAERO [NH3+]Cc1cncc(-c2ccccc2C(F)(F)F)c1 ZINC000091351603 180137900 /nfs/dbraw/zinc/13/79/00/180137900.db2.gz GDCCHQMVNPGMSC-UHFFFAOYSA-N 1 0 252.239 3.226 10 0 CGAERO FC(F)(F)c1ncccc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000625508719 350178795 /nfs/dbraw/zinc/17/87/95/350178795.db2.gz GGSJBRGBISOKEJ-MVWJERBFSA-N 1 0 270.298 3.379 10 0 CGAERO c1cc(-c2ccc(C[NH2+]C3CCSCC3)cc2)n[nH]1 ZINC000040768602 137887439 /nfs/dbraw/zinc/88/74/39/137887439.db2.gz DVSKVNAYCOXCLT-UHFFFAOYSA-N 1 0 273.405 3.062 10 0 CGAERO C[C@@H]1C[C@@H](C[NH2+]C[C@@]2(C)CCCS2)C[C@H](C)O1 ZINC000628260829 350469532 /nfs/dbraw/zinc/46/95/32/350469532.db2.gz XYNJDQPINKWEOB-XJFOESAGSA-N 1 0 257.443 3.065 10 0 CGAERO C[C@@H](C[NH3+])C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000044808364 137896665 /nfs/dbraw/zinc/89/66/65/137896665.db2.gz QNJDCQSHFWEAKM-LBPRGKRZSA-N 1 0 270.332 3.012 10 0 CGAERO COc1c(C[N@@H+]2CCC[C@@H]2c2ccccc2)c(C)nn1C ZINC000123659340 187103797 /nfs/dbraw/zinc/10/37/97/187103797.db2.gz AFPUTEHNTQAELX-MRXNPFEDSA-N 1 0 285.391 3.074 10 0 CGAERO Cc1ccc(CC[NH+]2CCC(c3ccnn3C)CC2)cc1 ZINC000124313930 187131812 /nfs/dbraw/zinc/13/18/12/187131812.db2.gz VEOHZAWFBOYHND-UHFFFAOYSA-N 1 0 283.419 3.151 10 0 CGAERO FC(F)SCc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H]2O3)o1 ZINC000152962309 188055707 /nfs/dbraw/zinc/05/57/07/188055707.db2.gz CDANKMKCFUFYJG-ZHAHWJHGSA-N 1 0 289.347 3.145 10 0 CGAERO CC[C@H]1[C@H](C)CCN1Cc1cc(Br)no1 ZINC000292674508 198370868 /nfs/dbraw/zinc/37/08/68/198370868.db2.gz BRVDXOJOPLQASG-SCZZXKLOSA-N 1 0 273.174 3.058 10 0 CGAERO CCC[C@@H](C(=O)Nc1ccc(OC(C)C)cc1)[NH+](C)C ZINC000161626268 188537719 /nfs/dbraw/zinc/53/77/19/188537719.db2.gz GZHQUFZXUWVFHG-HNNXBMFYSA-N 1 0 278.396 3.143 10 0 CGAERO Cc1cnn(CC[NH2+][C@H](C)c2ccc(OC(F)F)cc2)c1 ZINC000105881964 138352945 /nfs/dbraw/zinc/35/29/45/138352945.db2.gz UKMTVBQTUHWPQN-GFCCVEGCSA-N 1 0 295.333 3.144 10 0 CGAERO Cn1ccnc1CC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000105875819 138353309 /nfs/dbraw/zinc/35/33/09/138353309.db2.gz JYDCLGNFIJAEQH-UHFFFAOYSA-N 1 0 287.382 3.014 10 0 CGAERO C[C@@H](c1ccc(F)cc1)[NH+]1CCC(Cn2cccn2)CC1 ZINC000106182335 138354107 /nfs/dbraw/zinc/35/41/07/138354107.db2.gz WXJJZTHZJZNSGI-AWEZNQCLSA-N 1 0 287.382 3.495 10 0 CGAERO COCC[N@@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000127665185 138390323 /nfs/dbraw/zinc/39/03/23/138390323.db2.gz PMCFETKHGNJUSN-GFCCVEGCSA-N 1 0 268.426 3.092 10 0 CGAERO Clc1cccc(C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)n1 ZINC000127915039 138391464 /nfs/dbraw/zinc/39/14/64/138391464.db2.gz BKVNYZGEWVDOPS-ZIAGYGMSSA-N 1 0 290.798 3.205 10 0 CGAERO C[C@H](C(=O)Nc1ccc(F)cc1)[C@H]([NH3+])c1ccccc1 ZINC000130065472 138399247 /nfs/dbraw/zinc/39/92/47/138399247.db2.gz ODYYVAZNTBUQEU-NHYWBVRUSA-N 1 0 272.323 3.100 10 0 CGAERO Cc1cc(F)ccc1NC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000130083517 138399342 /nfs/dbraw/zinc/39/93/42/138399342.db2.gz RFRHDPCPKBUYDL-BLLLJJGKSA-N 1 0 286.350 3.409 10 0 CGAERO FC1(F)CCC[C@@H]1C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000336260874 213097490 /nfs/dbraw/zinc/09/74/90/213097490.db2.gz QTWXBMBHZLPEAF-ZIAGYGMSSA-N 1 0 273.367 3.313 10 0 CGAERO CCCn1ccc(C[NH2+][C@H](COCC)C(C)C)c1 ZINC000233386320 138510784 /nfs/dbraw/zinc/51/07/84/138510784.db2.gz SHMZXEUQWMURES-OAHLLOKOSA-N 1 0 252.402 3.049 10 0 CGAERO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1ccsc1 ZINC000294418343 199031646 /nfs/dbraw/zinc/03/16/46/199031646.db2.gz NUUXWXLOMHYRFQ-XBFCOCLRSA-N 1 0 253.411 3.340 10 0 CGAERO CCC[N@@H+]1CC[C@H](N(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC000252474536 283352725 /nfs/dbraw/zinc/35/27/25/283352725.db2.gz HCYFAHBZRDQWEP-OLZOCXBDSA-N 1 0 270.417 3.116 10 0 CGAERO CCC1(C[N@@H+]2CCC3(CCOCC3)[C@@H]2C)CCOCC1 ZINC000336191037 213008916 /nfs/dbraw/zinc/00/89/16/213008916.db2.gz FPPOQKIHOONNRT-HNNXBMFYSA-N 1 0 281.440 3.084 10 0 CGAERO Cc1cccnc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000180523923 189260342 /nfs/dbraw/zinc/26/03/42/189260342.db2.gz JYISCWDJKRNAIF-MJGOQNOKSA-N 1 0 296.414 3.478 10 0 CGAERO Cc1oc(-c2cccs2)nc1C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000183170639 189349259 /nfs/dbraw/zinc/34/92/59/189349259.db2.gz PVRSSEPOAOWBMC-GXFFZTMASA-N 1 0 292.404 3.369 10 0 CGAERO Cc1cccc2c(NC[C@H]3CCC[C@@H]3O)cc[nH+]c12 ZINC000301690312 201139765 /nfs/dbraw/zinc/13/97/65/201139765.db2.gz WEVAZHGPNMBUJV-DOMZBBRYSA-N 1 0 256.349 3.116 10 0 CGAERO Cc1cccc2c(NC[C@@H]3CCC[C@H]3O)cc[nH+]c12 ZINC000301690314 201140520 /nfs/dbraw/zinc/14/05/20/201140520.db2.gz WEVAZHGPNMBUJV-SWLSCSKDSA-N 1 0 256.349 3.116 10 0 CGAERO Cc1cnc(N[C@@H](C)C[N@H+](C)Cc2ccccc2)nc1C ZINC000302037434 201313375 /nfs/dbraw/zinc/31/33/75/201313375.db2.gz VHKISLFAJCLQEI-AWEZNQCLSA-N 1 0 284.407 3.026 10 0 CGAERO Fc1ccc(CN2CCCC[C@@H]2c2cn[nH]c2)c(F)c1 ZINC000120598614 370784200 /nfs/dbraw/zinc/78/42/00/370784200.db2.gz DNLNELUVNDLYRN-OAHLLOKOSA-N 1 0 277.318 3.415 10 0 CGAERO CCc1nccn1[C@@H]1CCC[N@H+](CCOCCC(C)C)C1 ZINC000120600327 370784628 /nfs/dbraw/zinc/78/46/28/370784628.db2.gz VTDAUOZMQJXLLY-MRXNPFEDSA-N 1 0 293.455 3.145 10 0 CGAERO CCO[C@@H]1C[C@@H]([N@H+](C)CC2CCOCC2)C12CCCC2 ZINC000121137849 370833330 /nfs/dbraw/zinc/83/33/30/370833330.db2.gz YVKUWCPBYCCDSS-HZPDHXFCSA-N 1 0 281.440 3.083 10 0 CGAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)Nc1cc(F)cc(F)c1 ZINC000121661210 370883151 /nfs/dbraw/zinc/88/31/51/370883151.db2.gz LTAFKGOLIUIVNS-AWEZNQCLSA-N 1 0 299.365 3.063 10 0 CGAERO [NH3+][C@H](CCc1ccc(F)cc1)c1ccc2c(c1)OCCO2 ZINC000000173918 368309661 /nfs/dbraw/zinc/30/96/61/368309661.db2.gz JEJMMGHPMSSVFF-OAHLLOKOSA-N 1 0 287.334 3.230 10 0 CGAERO Oc1ccc2c(c1)O[C@H](C[NH2+]CC1CCCCC1)CC2 ZINC000003959258 368524729 /nfs/dbraw/zinc/52/47/29/368524729.db2.gz QBNAZFPOIWIARB-INIZCTEOSA-N 1 0 275.392 3.256 10 0 CGAERO CCOc1ccc(C[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000011600075 368591512 /nfs/dbraw/zinc/59/15/12/368591512.db2.gz QFCBEKMSJOKFEV-MRXNPFEDSA-N 1 0 255.361 3.198 10 0 CGAERO [NH3+]CCCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000011755402 368595979 /nfs/dbraw/zinc/59/59/79/368595979.db2.gz RVWPFVMTIYBGQG-UHFFFAOYSA-N 1 0 280.677 3.036 10 0 CGAERO COc1ccc2[nH]c3c(c2c1)[C@@H](C[NH+](C)C)CCC3 ZINC000013805823 368666790 /nfs/dbraw/zinc/66/67/90/368666790.db2.gz MEUKAKNAKNCMKB-LLVKDONJSA-N 1 0 258.365 3.158 10 0 CGAERO Cc1nn(C)c(C)c1-c1cccc2c1CC[C@H]([NH+](C)C)C2 ZINC000013816347 368667178 /nfs/dbraw/zinc/66/71/78/368667178.db2.gz BTTOYOKCLDAHHO-HNNXBMFYSA-N 1 0 283.419 3.123 10 0 in-vitro CGAERO Cc1ccccc1CCCN1CCCC[C@H]1c1nc[nH]n1 ZINC000121844991 370901279 /nfs/dbraw/zinc/90/12/79/370901279.db2.gz AJOFVPCWCYMXIG-INIZCTEOSA-N 1 0 284.407 3.273 10 0 CGAERO CCc1ccc([C@H](CN)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000022853808 368811843 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ZINC000313008409 374297095 /nfs/dbraw/zinc/29/70/95/374297095.db2.gz NWSZSDCQIXDUHG-LSDHHAIUSA-N 1 0 250.430 3.173 10 0 CGAERO CC(C)c1ccc([C@H](C)NC(=O)[C@@]2(C)CCC[NH2+]2)cc1 ZINC000079514673 541921254 /nfs/dbraw/zinc/92/12/54/541921254.db2.gz DWTWMYSYMGTBOZ-SUMWQHHRSA-N 1 0 274.408 3.129 10 0 CGAERO CC(C)[C@](C)(O)CN[C@H](c1nccs1)c1ccccc1 ZINC000183277067 374396228 /nfs/dbraw/zinc/39/62/28/374396228.db2.gz DLCAJAMVPWBXEG-GOEBONIOSA-N 1 0 290.432 3.229 10 0 CGAERO Cc1ccccc1[C@H]([NH2+]C[C@H](O)COC(C)(C)C)C(C)C ZINC000183232779 374388452 /nfs/dbraw/zinc/38/84/52/374388452.db2.gz AUOMWVPYRZQLPV-DOTOQJQBSA-N 1 0 293.451 3.458 10 0 CGAERO Cc1ccc([C@@H](C)NC(=O)C[C@@H](C[NH3+])CC(C)C)c(C)c1 ZINC000088276972 541946268 /nfs/dbraw/zinc/94/62/68/541946268.db2.gz CSXNSTFPCAERIG-CVEARBPZSA-N 1 0 290.451 3.492 10 0 CGAERO CC(C)c1cccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000089450300 541952044 /nfs/dbraw/zinc/95/20/44/541952044.db2.gz WUQIUECZMOPDPJ-DZGCQCFKSA-N 1 0 260.381 3.124 10 0 CGAERO CCOc1ccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])cc1Cl ZINC000089454683 541952080 /nfs/dbraw/zinc/95/20/80/541952080.db2.gz LKAPOILCLVBZQA-JQWIXIFHSA-N 1 0 296.798 3.052 10 0 CGAERO CCC[C@@H](C)[NH2+][C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000184524115 374533300 /nfs/dbraw/zinc/53/33/00/374533300.db2.gz BYRKNXLZNBNRRO-SJKOYZFVSA-N 1 0 292.398 3.397 10 0 CGAERO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C2CC2)c2ccc(F)cc2C1 ZINC000184522950 374534483 /nfs/dbraw/zinc/53/44/83/374534483.db2.gz RLEWOFKIJPFDSV-APPDUMDISA-N 1 0 290.382 3.007 10 0 CGAERO Cc1ncc([C@@H](C)N[C@H](C[NH+](C)C)c2ccccc2)s1 ZINC000090400862 541958747 /nfs/dbraw/zinc/95/87/47/541958747.db2.gz HLONHVGSDQQLAE-IUODEOHRSA-N 1 0 289.448 3.405 10 0 CGAERO Cc1cc(F)ccc1CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000251039489 189968761 /nfs/dbraw/zinc/96/87/61/189968761.db2.gz KMYTTYHMPAUSLT-BZUAXINKSA-N 1 0 277.383 3.080 10 0 CGAERO COC1(C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)CCOCC1 ZINC000090652231 541963894 /nfs/dbraw/zinc/96/38/94/541963894.db2.gz 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[NH3+]CC1(CCNc2ccnc3cc(Cl)ccc32)CC1 ZINC000395860576 397696962 /nfs/dbraw/zinc/69/69/62/397696962.db2.gz SHCKGBRHKMWOSH-UHFFFAOYSA-N 1 0 275.783 3.429 10 0 CGAERO CC(C)c1ccc([C@H](C)[NH2+][C@H]2CCNC(=O)CC2)cc1 ZINC000396674596 397697578 /nfs/dbraw/zinc/69/75/78/397697578.db2.gz SXESMILXAPUCQL-XJKSGUPXSA-N 1 0 274.408 3.129 10 0 CGAERO CN1CC[C@H]([NH3+])C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000675055789 543311702 /nfs/dbraw/zinc/31/17/02/543311702.db2.gz YESNNNGQMYZEHR-NWDGAFQWSA-N 1 0 259.180 3.087 10 0 CGAERO CN1CC[C@H]([NH3+])C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000675055774 543311828 /nfs/dbraw/zinc/31/18/28/543311828.db2.gz XXDWGCSVCOLAKI-CABZTGNLSA-N 1 0 259.180 3.087 10 0 CGAERO C[C@@H]1CN(C)C[C@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000674880104 543302275 /nfs/dbraw/zinc/30/22/75/543302275.db2.gz GKDJLWNSOLWWNO-MLVVQWTHSA-N 1 0 278.827 3.126 10 0 CGAERO C[C@@H]1CN(C)C[C@@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000674880121 543302286 /nfs/dbraw/zinc/30/22/86/543302286.db2.gz GKDJLWNSOLWWNO-SNBTVBLJSA-N 1 0 278.827 3.126 10 0 CGAERO CC1(C)C[NH+](CCOc2cncc(Cl)c2)CC(C)(C)O1 ZINC000675076742 543313432 /nfs/dbraw/zinc/31/34/32/543313432.db2.gz QLIHNGOQYMCDNX-UHFFFAOYSA-N 1 0 298.814 3.003 10 0 CGAERO CCC(C)(C)C1CCC(NC(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085359825 287082026 /nfs/dbraw/zinc/08/20/26/287082026.db2.gz ZWXKSPKNCRYSQO-WUCCLRPBSA-N 1 0 280.456 3.225 10 0 CGAERO c1ccc2sc(NCCC[NH2+]Cc3cccnc3)nc2c1 ZINC000063197246 165029015 /nfs/dbraw/zinc/02/90/15/165029015.db2.gz KITAOLFBWZVLQQ-UHFFFAOYSA-N 1 0 298.415 3.283 10 0 CGAERO Cc1cc(C)cc(OCCCN2CCCC[C@H]2[C@@H](C)[NH3+])c1 ZINC000063195384 165031398 /nfs/dbraw/zinc/03/13/98/165031398.db2.gz FCELXKAJPAQQAJ-AEFFLSMTSA-N 1 0 290.451 3.274 10 0 CGAERO C[C@H]1CC(C)(C)C[C@]2(C1)NC(=[NH2+])Nc1nc3ccccc3n12 ZINC000072751667 165076454 /nfs/dbraw/zinc/07/64/54/165076454.db2.gz GWFQSOHEPTVBPR-APPDUMDISA-N 1 0 297.406 3.085 10 0 CGAERO Cc1cc(C[NH2+]C[C@@H]2CCC[C@@H]2O)ccc1Br ZINC000073852753 165085411 /nfs/dbraw/zinc/08/54/11/165085411.db2.gz DEZHYPJLEHSPRO-JSGCOSHPSA-N 1 0 298.224 3.008 10 0 CGAERO C[C@H](NC(=O)[C@H]1CCCCC[NH2+]1)c1cccc(Cl)c1 ZINC000080997396 165161669 /nfs/dbraw/zinc/16/16/69/165161669.db2.gz COYQLTHLPSZBJB-SMDDNHRTSA-N 1 0 280.799 3.049 10 0 CGAERO CCOC(=O)CCC[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000081545157 165166084 /nfs/dbraw/zinc/16/60/84/165166084.db2.gz CQZRIGCSBNVUFG-AWEZNQCLSA-N 1 0 263.381 3.297 10 0 CGAERO CC1(C)[C@H]([NH2+]CCCOC2CCCCC2)[C@@H]2CCO[C@@H]21 ZINC000085630936 165181513 /nfs/dbraw/zinc/18/15/13/165181513.db2.gz VELQEXICSPUCIM-XHSDSOJGSA-N 1 0 281.440 3.129 10 0 CGAERO CCC[NH2+][C@@H](C)c1nnc(-c2cccc(F)c2)s1 ZINC000088821930 165194131 /nfs/dbraw/zinc/19/41/31/165194131.db2.gz QVWYMGYUODHNJW-VIFPVBQESA-N 1 0 265.357 3.405 10 0 CGAERO CC(C)C(=O)NCCC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000090881210 287105213 /nfs/dbraw/zinc/10/52/13/287105213.db2.gz ZQFBKROWQCTVFG-HUUCEWRRSA-N 1 0 282.472 3.343 10 0 CGAERO CC(C)(C)c1ccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089448875 165208201 /nfs/dbraw/zinc/20/82/01/165208201.db2.gz NRKNFHZGIKXGPX-IUODEOHRSA-N 1 0 274.408 3.298 10 0 CGAERO Cc1noc(CC[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)n1 ZINC000089518460 165211230 /nfs/dbraw/zinc/21/12/30/165211230.db2.gz ILOSHOJEOKLVOR-CHWSQXEVSA-N 1 0 265.401 3.115 10 0 CGAERO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](c1ccccc1)C(C)C ZINC000091377456 165259730 /nfs/dbraw/zinc/25/97/30/165259730.db2.gz JERGMPNBHXELMF-CVEARBPZSA-N 1 0 284.407 3.408 10 0 CGAERO C[NH2+]Cc1ccccc1NC(=O)[C@@H]1CSc2ccccc21 ZINC000092239121 165286465 /nfs/dbraw/zinc/28/64/65/165286465.db2.gz CRMXOYFHMSLRCG-CQSZACIVSA-N 1 0 298.411 3.234 10 0 CGAERO C[C@@H]([NH2+]CC1CC(O)C1)c1ccccc1C(F)(F)F ZINC000091524914 287108153 /nfs/dbraw/zinc/10/81/53/287108153.db2.gz HGVYMSBATCLPOL-KPPDAEKUSA-N 1 0 273.298 3.127 10 0 CGAERO COCCc1nc(C)c([C@@H](C)[NH2+][C@@H](C)C(C)C)s1 ZINC000092720518 165308436 /nfs/dbraw/zinc/30/84/36/165308436.db2.gz DSEWKCAXWZDADA-WDEREUQCSA-N 1 0 270.442 3.336 10 0 CGAERO Cc1cccc(N2CCC([NH2+][C@@H](C)c3cccnc3)CC2)n1 ZINC000092750233 165313525 /nfs/dbraw/zinc/31/35/25/165313525.db2.gz IVYOJZVRPDHRCI-HNNXBMFYSA-N 1 0 296.418 3.105 10 0 CGAERO C[NH+](C)CCCNC(=O)c1ccc2[nH]c3ccccc3c2c1 ZINC000002075435 169774024 /nfs/dbraw/zinc/77/40/24/169774024.db2.gz MDEDEXBBJJVJHL-UHFFFAOYSA-N 1 0 295.386 3.003 10 0 CGAERO COc1ccc([C@H]2CC[C@H]3CCCC[N@@H+]3C2)cc1OC ZINC000006018674 170168615 /nfs/dbraw/zinc/16/86/15/170168615.db2.gz WWZYSFVVLXIGSX-LSDHHAIUSA-N 1 0 275.392 3.436 10 0 CGAERO Cc1ccc([C@H](O)[C@H](C)[NH2+]CCCc2ccccc2)cc1O ZINC000006071252 170174018 /nfs/dbraw/zinc/17/40/18/170174018.db2.gz AUTKZDGLQYYXLZ-HNAYVOBHSA-N 1 0 299.414 3.345 10 0 in-man CGAERO [NH3+]C[C@H](c1c[nH]c2ccccc21)c1cccc(F)c1 ZINC000009280357 170370053 /nfs/dbraw/zinc/37/00/53/170370053.db2.gz FJROFPVAWFZVRR-AWEZNQCLSA-N 1 0 254.308 3.398 10 0 CGAERO COc1ccc(C)cc1[C@H]([NH3+])COc1cccc(C)c1 ZINC000019257315 170759878 /nfs/dbraw/zinc/75/98/78/170759878.db2.gz OYNSRVHPLGGICD-MRXNPFEDSA-N 1 0 271.360 3.391 10 0 CGAERO C[C@H]([NH3+])c1cccc(NC(=O)Cc2ccc(F)cc2)c1 ZINC000019260812 170761807 /nfs/dbraw/zinc/76/18/07/170761807.db2.gz QCYUKAZAFNLKAK-NSHDSACASA-N 1 0 272.323 3.027 10 0 CGAERO C[C@H]1C[C@H](C)CN([C@@H](C[NH3+])c2ccccc2OC(F)F)C1 ZINC000019268066 170765504 /nfs/dbraw/zinc/76/55/04/170765504.db2.gz VUHHUWUNONSTSI-OBJOEFQTSA-N 1 0 298.377 3.266 10 0 CGAERO C[C@H]1CC[C@@H](C(=O)Nc2ccc(C(F)(F)F)cc2)C[NH2+]1 ZINC000019471045 170804842 /nfs/dbraw/zinc/80/48/42/170804842.db2.gz UANPVTPEXJVEKR-VHSXEESVSA-N 1 0 286.297 3.032 10 0 CGAERO CSc1cccc(NC(=O)[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000019488546 170813712 /nfs/dbraw/zinc/81/37/12/170813712.db2.gz XLDVSNYDTDFVGL-TUKIKUTGSA-N 1 0 290.432 3.268 10 0 CGAERO NC(=[NH2+])c1ccc(COc2ccc(Cl)cc2)cc1 ZINC000019489133 170814091 /nfs/dbraw/zinc/81/40/91/170814091.db2.gz AIHOQFFRTZKUNW-UHFFFAOYSA-N 1 0 260.724 3.203 10 0 CGAERO [NH3+]C[C@H](Oc1ccc(F)cc1F)c1ccc(F)cc1 ZINC000019671591 170835929 /nfs/dbraw/zinc/83/59/29/170835929.db2.gz RARWMUFUAJATKG-AWEZNQCLSA-N 1 0 267.250 3.183 10 0 CGAERO CC[N@H+](Cc1ccccc1C(N)=S)C1CCCCC1 ZINC000019806008 170874836 /nfs/dbraw/zinc/87/48/36/170874836.db2.gz XOGMBKFHCIKEDM-UHFFFAOYSA-N 1 0 276.449 3.475 10 0 CGAERO NC(=[NH2+])c1ccc(CSc2ccccc2F)cc1 ZINC000019848076 170897824 /nfs/dbraw/zinc/89/78/24/170897824.db2.gz AUWGSVVHIJMGNE-UHFFFAOYSA-N 1 0 260.337 3.402 10 0 CGAERO Cc1csc(SCc2ccc(C(N)=[NH2+])cc2)n1 ZINC000019863721 170899018 /nfs/dbraw/zinc/89/90/18/170899018.db2.gz PMPDZLZCWXYXCG-UHFFFAOYSA-N 1 0 263.391 3.028 10 0 CGAERO COc1cccc(C[C@H]([NH3+])c2ccc(OC)cc2C)c1 ZINC000019972138 170956658 /nfs/dbraw/zinc/95/66/58/170956658.db2.gz PMGUTHCTSBBYAY-KRWDZBQOSA-N 1 0 271.360 3.255 10 0 CGAERO Cc1ccc([C@H](N)C[NH+]2C[C@H](C)C[C@@H](C)C2)c(C)c1 ZINC000020011276 170968807 /nfs/dbraw/zinc/96/88/07/170968807.db2.gz LLYYPSOFYVZIFO-CKEIUWERSA-N 1 0 260.425 3.281 10 0 CGAERO C[C@H]([NH2+]Cc1ccncc1)c1ccc2c(c1)CCC2 ZINC000020140498 171026579 /nfs/dbraw/zinc/02/65/79/171026579.db2.gz RGCQOUQMNPVGNR-ZDUSSCGKSA-N 1 0 252.361 3.421 10 0 CGAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C(C)C)N(C)C)s1 ZINC000020145868 171031790 /nfs/dbraw/zinc/03/17/90/171031790.db2.gz YKHMUOVMRAZWKY-OLZOCXBDSA-N 1 0 254.443 3.293 10 0 CGAERO Cc1ccccc1C[NH2+]CCCOCc1ccco1 ZINC000020146959 171033935 /nfs/dbraw/zinc/03/39/35/171033935.db2.gz UFUWSLJIIDLLAE-UHFFFAOYSA-N 1 0 259.349 3.285 10 0 CGAERO COc1cc(C[NH2+][C@@H](C)c2cccs2)cc(OC)c1O ZINC000020148596 171037137 /nfs/dbraw/zinc/03/71/37/171037137.db2.gz AKCBFSDUMMIBGG-JTQLQIEISA-N 1 0 293.388 3.322 10 0 CGAERO CCCN(C)[C@@H](C[NH3+])c1cccc(Cl)c1Cl ZINC000020226728 171091044 /nfs/dbraw/zinc/09/10/44/171091044.db2.gz PMBWCQGVWGHFKR-NSHDSACASA-N 1 0 261.196 3.335 10 0 CGAERO CN(CC1CC1)[C@@H](C[NH3+])c1c(Cl)cccc1Cl ZINC000020226716 171091749 /nfs/dbraw/zinc/09/17/49/171091749.db2.gz QGKNIFYZVOMBJB-LBPRGKRZSA-N 1 0 273.207 3.335 10 0 CGAERO [NH3+][C@H](CC1CCCCC1)c1ccc2c(c1)CC(=O)N2 ZINC000020252289 171104275 /nfs/dbraw/zinc/10/42/75/171104275.db2.gz QSSGMALQHUCDTC-CQSZACIVSA-N 1 0 258.365 3.151 10 0 CGAERO Cc1cccc(O[C@@H]2CCc3ccccc3[C@@H]2[NH3+])c1 ZINC000020262572 171119709 /nfs/dbraw/zinc/11/97/09/171119709.db2.gz XUKFMTNZIXLJII-SJORKVTESA-N 1 0 253.345 3.389 10 0 CGAERO [NH3+]C[C@H](c1ccc(F)cc1)N1CCCCCCC1 ZINC000020265285 171122957 /nfs/dbraw/zinc/12/29/57/171122957.db2.gz CYIJTDGZJZNGGP-OAHLLOKOSA-N 1 0 250.361 3.092 10 0 CGAERO [NH3+]C[C@@H](c1cccc(F)c1)N1CCCCCCC1 ZINC000020265227 171122995 /nfs/dbraw/zinc/12/29/95/171122995.db2.gz MFIVUSHRDSUAEL-HNNXBMFYSA-N 1 0 250.361 3.092 10 0 CGAERO C[C@@H]([NH3+])c1ccc(O[C@@H](C)C(=O)Nc2ccccc2)cc1 ZINC000020419330 171183912 /nfs/dbraw/zinc/18/39/12/171183912.db2.gz AWUAGQMTGLRXQR-OLZOCXBDSA-N 1 0 284.359 3.112 10 0 CGAERO Cc1ccc(NC(=O)[C@H]([NH3+])c2ccccc2)c(Cl)c1 ZINC000020471404 171214109 /nfs/dbraw/zinc/21/41/09/171214109.db2.gz UGLJDJKLLALRIZ-CQSZACIVSA-N 1 0 274.751 3.287 10 0 CGAERO C[C@@H]([NH3+])c1ccccc1OCCCc1ccncc1 ZINC000020519655 171233584 /nfs/dbraw/zinc/23/35/84/171233584.db2.gz JWWNPJYHANFORI-CYBMUJFWSA-N 1 0 256.349 3.113 10 0 CGAERO Cc1cc2ncc([C@H](C)[NH2+][C@H](C)C(C)C)c(C)n2n1 ZINC000020522536 171235578 /nfs/dbraw/zinc/23/55/78/171235578.db2.gz RQLDTXAMQVACGP-NEPJUHHUSA-N 1 0 260.385 3.041 10 0 CGAERO CC[NH+](CC)CCCn1c2ccccc2[nH]c1=S ZINC000020584453 171258064 /nfs/dbraw/zinc/25/80/64/171258064.db2.gz OCJKLDZPHMOFRV-UHFFFAOYSA-N 1 0 263.410 3.057 10 0 CGAERO Cc1ccc(COc2ccccc2C[NH2+]C[C@@H](C)O)cc1 ZINC000020873608 171277115 /nfs/dbraw/zinc/27/71/15/171277115.db2.gz VYVRMXAJOYKQQO-OAHLLOKOSA-N 1 0 285.387 3.044 10 0 CGAERO CCCOc1ccccc1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000020924519 171280024 /nfs/dbraw/zinc/28/00/24/171280024.db2.gz KPBGKAVCEBXBRT-QGZVFWFLSA-N 1 0 285.387 3.299 10 0 CGAERO CCn1c2ccc(N)cc2[nH+]c1CCc1ccccc1 ZINC000020980584 171282844 /nfs/dbraw/zinc/28/28/44/171282844.db2.gz RWOZRUYENXHGGZ-UHFFFAOYSA-N 1 0 265.360 3.424 10 0 CGAERO CC(C)C[C@H](C[NH2+]C1[C@H](C)CCC[C@@H]1C)N1CCOCC1 ZINC000021810747 171328768 /nfs/dbraw/zinc/32/87/68/171328768.db2.gz YQIWZABSEGRHAM-SOABOVLPSA-N 1 0 296.499 3.148 10 0 CGAERO CCC[NH+](CCC)CCC(=O)Nc1ccc(N)cc1C ZINC000022152181 171359291 /nfs/dbraw/zinc/35/92/91/171359291.db2.gz QGPFGXFFEQHZDC-UHFFFAOYSA-N 1 0 277.412 3.028 10 0 CGAERO CN(C)C[C@@H]([NH2+]CC1CCCCC1)c1ccccc1 ZINC000022153041 171359904 /nfs/dbraw/zinc/35/99/04/171359904.db2.gz NRVSMQUELXGUTD-QGZVFWFLSA-N 1 0 260.425 3.459 10 0 CGAERO C[C@@H](C(=O)Nc1ccc(Cl)cc1N)[N@@H+]1CCCC[C@@H]1C ZINC000022153194 171360371 /nfs/dbraw/zinc/36/03/71/171360371.db2.gz WFNVDXJLRLHBSB-QWRGUYRKSA-N 1 0 295.814 3.124 10 0 CGAERO CCC[NH+](CCC)[C@H](C)C(=O)Nc1ccc(N)cc1C ZINC000022155848 171362647 /nfs/dbraw/zinc/36/26/47/171362647.db2.gz OKABMFACQHKAEV-CYBMUJFWSA-N 1 0 277.412 3.026 10 0 CGAERO CC(C)N(C)[C@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000022163559 171364906 /nfs/dbraw/zinc/36/49/06/171364906.db2.gz BSAGGHPQBPFRPO-GFCCVEGCSA-N 1 0 261.196 3.333 10 0 CGAERO C[C@@H]1C[C@@H]1c1ccc([C@@H](C[NH3+])N2CCc3ccccc32)o1 ZINC000022174191 171369203 /nfs/dbraw/zinc/36/92/03/171369203.db2.gz ZMMCOULZCJPPDW-IVMMDQJWSA-N 1 0 282.387 3.466 10 0 CGAERO Cc1ccsc1[C@@H](C[NH3+])N1CCc2ccccc2C1 ZINC000022176862 171370819 /nfs/dbraw/zinc/37/08/19/171370819.db2.gz FUMCSZRYEPRZJZ-OAHLLOKOSA-N 1 0 272.417 3.115 10 0 CGAERO [NH3+][C@@H](Cc1ccccc1)[C@H](c1ccccc1)n1ccnc1 ZINC000022565202 171391709 /nfs/dbraw/zinc/39/17/09/171391709.db2.gz FNZASKVUDGTAEV-ROUUACIJSA-N 1 0 277.371 3.043 10 0 CGAERO COc1ccc(O[C@H]2CCCc3ccccc3[C@H]2[NH3+])cc1 ZINC000023070473 171409867 /nfs/dbraw/zinc/40/98/67/171409867.db2.gz VRAQMJCVTUPEJB-ZWKOTPCHSA-N 1 0 283.371 3.479 10 0 CGAERO [NH3+]C[C@H](c1c[nH]c2cc(F)ccc21)c1ccccc1 ZINC000026512789 171490725 /nfs/dbraw/zinc/49/07/25/171490725.db2.gz ZVYGGRASSSFVRF-AWEZNQCLSA-N 1 0 254.308 3.398 10 0 CGAERO CCC[NH2+]Cc1cc(OC)ccc1OCC(C)C ZINC000034655965 171849699 /nfs/dbraw/zinc/84/96/99/171849699.db2.gz SZSOGKLEVNGTGQ-UHFFFAOYSA-N 1 0 251.370 3.230 10 0 CGAERO CC[NH2+]Cc1ccc(Br)cc1N(C)C1CC1 ZINC000034824666 171878708 /nfs/dbraw/zinc/87/87/08/171878708.db2.gz KDDFCOXWCDAPMC-UHFFFAOYSA-N 1 0 283.213 3.157 10 0 CGAERO CCOCC[NH2+][C@@H](c1ccccc1)c1ccc(O)cc1 ZINC000035151379 172014734 /nfs/dbraw/zinc/01/47/34/172014734.db2.gz OQHCVIDPGPEKSM-KRWDZBQOSA-N 1 0 271.360 3.108 10 0 CGAERO C=COCCC[NH2+]Cc1c(C)nn(-c2ccccc2)c1C ZINC000035161928 172021815 /nfs/dbraw/zinc/02/18/15/172021815.db2.gz GWXYXAWMRGBKRH-UHFFFAOYSA-N 1 0 285.391 3.129 10 0 CGAERO O=C(C[NH2+][C@@H]1CCCc2ccccc21)N1CCCCCC1 ZINC000035179219 172032469 /nfs/dbraw/zinc/03/24/69/172032469.db2.gz ACBQPERPVXAZBZ-QGZVFWFLSA-N 1 0 286.419 3.056 10 0 CGAERO O=C(C[NH2+][C@@H]1CCCc2ccccc21)NC1CCCCC1 ZINC000035179180 172032814 /nfs/dbraw/zinc/03/28/14/172032814.db2.gz MNEYQCWRKUYLLQ-QGZVFWFLSA-N 1 0 286.419 3.103 10 0 CGAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000035206922 172051857 /nfs/dbraw/zinc/05/18/57/172051857.db2.gz QLUPQSNGOTZICS-QWRGUYRKSA-N 1 0 268.426 3.092 10 0 CGAERO CC(C)[NH2+]C[C@@H](O)COc1ccc(Cl)c2ccccc12 ZINC000035232081 172072068 /nfs/dbraw/zinc/07/20/68/172072068.db2.gz AYDFPRRFARMWED-GFCCVEGCSA-N 1 0 293.794 3.231 10 0 CGAERO Fc1ccccc1[C@H]1C[NH2+]C[C@@H](c2ccccc2)O1 ZINC000035285275 172103276 /nfs/dbraw/zinc/10/32/76/172103276.db2.gz JKWPXZBOEFJJPX-JKSUJKDBSA-N 1 0 257.308 3.228 10 0 CGAERO COc1ccc(F)cc1[C@@H]([NH3+])c1sccc1C ZINC000035381479 172164539 /nfs/dbraw/zinc/16/45/39/172164539.db2.gz WWPASFLJPFMMRW-GFCCVEGCSA-N 1 0 251.326 3.252 10 0 CGAERO COc1ccc(Br)cc1[C@@H]([NH3+])c1ccoc1 ZINC000035381701 172164798 /nfs/dbraw/zinc/16/47/98/172164798.db2.gz DDFAZELPIFNADX-LBPRGKRZSA-N 1 0 282.137 3.099 10 0 CGAERO CCCOc1ccc(C[NH2+]C2CC2)c(OC(F)F)c1 ZINC000035414502 172188739 /nfs/dbraw/zinc/18/87/39/172188739.db2.gz OQRGZFYOVNSCSP-UHFFFAOYSA-N 1 0 271.307 3.329 10 0 CGAERO C[NH2+][C@@H](c1ccc(C)cc1)c1cncc(Br)c1 ZINC000035466138 172213467 /nfs/dbraw/zinc/21/34/67/172213467.db2.gz LEFMVNCRGSXWJP-AWEZNQCLSA-N 1 0 291.192 3.461 10 0 CGAERO C[NH2+][C@@H](c1ccc(C)cc1)[C@H]1Cc2ccccc2O1 ZINC000035466213 172214043 /nfs/dbraw/zinc/21/40/43/172214043.db2.gz HFMLMCSBQKHOBS-SJORKVTESA-N 1 0 253.345 3.259 10 0 CGAERO CCC(CC)[C@H]([NH2+]C)c1ccc(OC)cc1OC ZINC000035489108 172223962 /nfs/dbraw/zinc/22/39/62/172223962.db2.gz OIWOJGQGQIWGSQ-HNNXBMFYSA-N 1 0 251.370 3.401 10 0 CGAERO C[NH2+][C@H](CC(C)(C)C)c1ccc2c(c1)CCC(=O)N2 ZINC000035490511 172224637 /nfs/dbraw/zinc/22/46/37/172224637.db2.gz ABRZAMQRWLSRJW-CQSZACIVSA-N 1 0 260.381 3.268 10 0 CGAERO C[NH2+][C@H](c1cccc(F)c1)c1cc(F)ccc1OC ZINC000035499275 172232666 /nfs/dbraw/zinc/23/26/66/172232666.db2.gz FIQRXYOIPYDLEM-OAHLLOKOSA-N 1 0 263.287 3.282 10 0 CGAERO CCOc1cc(Cl)c([C@@H](C)[NH2+]C)cc1OCC ZINC000035501064 172234870 /nfs/dbraw/zinc/23/48/70/172234870.db2.gz ODSUZPQUMQVLFB-SECBINFHSA-N 1 0 257.761 3.418 10 0 CGAERO CCOc1cc(Cl)c([C@H](C)[NH2+]C)cc1OCC ZINC000035501065 172235125 /nfs/dbraw/zinc/23/51/25/172235125.db2.gz ODSUZPQUMQVLFB-VIFPVBQESA-N 1 0 257.761 3.418 10 0 CGAERO C[NH2+][C@@H](c1cc2c(cc1Cl)OCCO2)C(C)C ZINC000035501339 172235444 /nfs/dbraw/zinc/23/54/44/172235444.db2.gz KQEXTFINMNGECW-CYBMUJFWSA-N 1 0 255.745 3.028 10 0 CGAERO CCC[C@@H]([NH2+]C)c1cc2c(cc1Cl)OCCO2 ZINC000035501341 172235691 /nfs/dbraw/zinc/23/56/91/172235691.db2.gz KTRMLZXIKQKVFE-LLVKDONJSA-N 1 0 255.745 3.172 10 0 CGAERO FC(F)(F)c1ccc(Cn2ccnc2C[NH2+]C2CC2)cc1 ZINC000035518077 172243217 /nfs/dbraw/zinc/24/32/17/172243217.db2.gz CXQFYWOABUGSNE-UHFFFAOYSA-N 1 0 295.308 3.202 10 0 CGAERO CC[NH2+][C@@H](c1cccs1)[C@H]1Cc2ccccc2O1 ZINC000035545446 172253801 /nfs/dbraw/zinc/25/38/01/172253801.db2.gz OACNDGTXHNYIBJ-UKRRQHHQSA-N 1 0 259.374 3.402 10 0 CGAERO CC[NH2+][C@@H](Cc1ncc[nH]1)c1ccc(Cl)cc1F ZINC000035570198 172265014 /nfs/dbraw/zinc/26/50/14/172265014.db2.gz QVQYXURNJUYFPE-LBPRGKRZSA-N 1 0 267.735 3.096 10 0 CGAERO CCC[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1Cl ZINC000035584250 172283078 /nfs/dbraw/zinc/28/30/78/172283078.db2.gz YUVSSNAJASBQKO-CQSZACIVSA-N 1 0 281.762 3.302 10 0 CGAERO CCC[NH2+][C@H]1CCCOc2ccc(CCOC)cc21 ZINC000035657652 172332442 /nfs/dbraw/zinc/33/24/42/172332442.db2.gz QKWQDENYKCPREE-HNNXBMFYSA-N 1 0 263.381 3.089 10 0 CGAERO Cc1ccc(CN(C)c2cccc(F)c2[C@@H](C)[NH3+])o1 ZINC000035699862 172368177 /nfs/dbraw/zinc/36/81/77/172368177.db2.gz WBOFZVJITMAJHV-LLVKDONJSA-N 1 0 262.328 3.383 10 0 CGAERO C[C@@H]1CCC[C@@](C[NH3+])(N(C)Cc2cccs2)C1 ZINC000035717228 172370878 /nfs/dbraw/zinc/37/08/78/172370878.db2.gz SAGZDFBLCVMTHE-TZMCWYRMSA-N 1 0 252.427 3.088 10 0 CGAERO C[NH2+]Cc1cc(F)ccc1N(C)Cc1cccs1 ZINC000035717994 172372056 /nfs/dbraw/zinc/37/20/56/172372056.db2.gz QRGKAKXDDGDOSR-UHFFFAOYSA-N 1 0 264.369 3.243 10 0 CGAERO COc1ccc(SCc2ccc(C[NH3+])cc2)cc1 ZINC000035723757 172378533 /nfs/dbraw/zinc/37/85/33/172378533.db2.gz ZXGWVUQJZDCPDJ-UHFFFAOYSA-N 1 0 259.374 3.446 10 0 CGAERO C[C@@H](C1CC1)N(C)c1ccc(C(F)(F)F)cc1C[NH3+] ZINC000036782821 172701192 /nfs/dbraw/zinc/70/11/92/172701192.db2.gz NONAYIFUIARTHT-VIFPVBQESA-N 1 0 272.314 3.399 10 0 CGAERO CCCCOC[C@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000037093433 172947883 /nfs/dbraw/zinc/94/78/83/172947883.db2.gz KTQLRTNHTRGRNL-DQGBIZLVSA-N 1 0 251.414 3.347 10 0 CGAERO COc1nc2sccn2c1C[NH2+]C1CCC(C)CC1 ZINC000037201521 173025576 /nfs/dbraw/zinc/02/55/76/173025576.db2.gz BSGUSGBPKBRSHZ-UHFFFAOYSA-N 1 0 279.409 3.073 10 0 CGAERO C[C@@H]1CCCC[C@@H]1OC(=O)Nc1ccc(C[NH3+])cc1 ZINC000037222919 173043270 /nfs/dbraw/zinc/04/32/70/173043270.db2.gz ZPMHEKCLOLYZGO-RISCZKNCSA-N 1 0 262.353 3.273 10 0 CGAERO CC(C)C[C@H](C)[NH2+]CC(=O)Nc1cccc(Cl)c1 ZINC000037264887 173074085 /nfs/dbraw/zinc/07/40/85/173074085.db2.gz VXPBMYYBROFYSP-NSHDSACASA-N 1 0 268.788 3.303 10 0 CGAERO Cc1ccc([C@@H](C[NH3+])N(C)Cc2ccc(C)cc2)s1 ZINC000037328321 173128382 /nfs/dbraw/zinc/12/83/82/173128382.db2.gz FOERYIOBLBUZPQ-OAHLLOKOSA-N 1 0 274.433 3.497 10 0 CGAERO COC(=O)CCC[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000037415781 173192527 /nfs/dbraw/zinc/19/25/27/173192527.db2.gz RABGWHFWAGIXSI-CQSZACIVSA-N 1 0 263.381 3.216 10 0 CGAERO CSCC[C@@H]([NH3+])c1nc2cc(C)ccc2n1C1CC1 ZINC000037438698 173209414 /nfs/dbraw/zinc/20/94/14/173209414.db2.gz JMMLBAICMFCFOX-GFCCVEGCSA-N 1 0 275.421 3.433 10 0 CGAERO CC(C)[NH2+]CCc1nc2c(cccc2F)n1C1CC1 ZINC000037600076 173553521 /nfs/dbraw/zinc/55/35/21/173553521.db2.gz LEDWTQBNCFLQOM-UHFFFAOYSA-N 1 0 261.344 3.051 10 0 CGAERO C[C@@H](Cc1c(F)cccc1F)[NH2+]C1CCSCC1 ZINC000037776089 173708039 /nfs/dbraw/zinc/70/80/39/173708039.db2.gz GMSNEQZTFIUWMU-JTQLQIEISA-N 1 0 271.376 3.381 10 0 CGAERO CCCC[C@H]([NH3+])C(=O)N1CCc2sccc2[C@H]1CC ZINC000037811793 173756941 /nfs/dbraw/zinc/75/69/41/173756941.db2.gz XAUPBANDWCGAKD-QWHCGFSZSA-N 1 0 280.437 3.101 10 0 CGAERO CCCCCC[C@@](C)([NH2+]C1CCCCC1)C(N)=O ZINC000037969609 173917975 /nfs/dbraw/zinc/91/79/75/173917975.db2.gz ILYSEQNADRUHKJ-OAHLLOKOSA-N 1 0 254.418 3.123 10 0 CGAERO C[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1ccc(O)cc1 ZINC000038009358 173974392 /nfs/dbraw/zinc/97/43/92/173974392.db2.gz FWSNLIBWDUDWIQ-BLLLJJGKSA-N 1 0 269.344 3.047 10 0 CGAERO C[C@H]1CCCC[N@@H+]1CCCNc1c(F)cc(N)cc1F ZINC000038039897 174039683 /nfs/dbraw/zinc/03/96/83/174039683.db2.gz RVLAUKVTNKSQEW-NSHDSACASA-N 1 0 283.366 3.223 10 0 CGAERO Cc1cccc([C@@H]([NH3+])c2ccc3c(c2)CCCO3)c1 ZINC000038057795 174068275 /nfs/dbraw/zinc/06/82/75/174068275.db2.gz HNWPIDOULGHQAN-QGZVFWFLSA-N 1 0 253.345 3.368 10 0 CGAERO [NH3+][C@@H](c1cccc(F)c1)c1ccc2c(c1)CCCO2 ZINC000038057804 174068289 /nfs/dbraw/zinc/06/82/89/174068289.db2.gz HQDFJMRKKMQGMU-INIZCTEOSA-N 1 0 257.308 3.199 10 0 CGAERO C[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccc2c(c1)CCC2 ZINC000038095939 174109413 /nfs/dbraw/zinc/10/94/13/174109413.db2.gz HZVMYQIZCICQAV-CXAGYDPISA-N 1 0 259.393 3.395 10 0 CGAERO Cc1cc(Oc2cccc([C@H]([NH3+])C(C)C)c2)ncn1 ZINC000040542920 174323502 /nfs/dbraw/zinc/32/35/02/174323502.db2.gz GEGMKQRLXRAPIT-OAHLLOKOSA-N 1 0 257.337 3.233 10 0 CGAERO CC(C)[C@@H](C[NH3+])Cc1ccc(Br)cc1 ZINC000041326413 174522811 /nfs/dbraw/zinc/52/28/11/174522811.db2.gz JJHPPBMDBVRKMQ-LLVKDONJSA-N 1 0 256.187 3.223 10 0 CGAERO Cc1ccccc1C[C@@H](C[NH3+])Cc1ccccc1F ZINC000041328316 174524937 /nfs/dbraw/zinc/52/49/37/174524937.db2.gz SLEIEBHKTOAKLM-CQSZACIVSA-N 1 0 257.352 3.494 10 0 CGAERO Clc1cccc(NCC2CC[NH2+]CC2)c1Cl ZINC000041343840 174526695 /nfs/dbraw/zinc/52/66/95/174526695.db2.gz PPIQPCXQGKSMSC-UHFFFAOYSA-N 1 0 259.180 3.405 10 0 CGAERO COc1cccc(C[C@@H](C[NH3+])Cc2cccc(C)c2)c1 ZINC000041390270 174544421 /nfs/dbraw/zinc/54/44/21/174544421.db2.gz CTFJRMFFRPWQCX-KRWDZBQOSA-N 1 0 269.388 3.364 10 0 CGAERO Cc1ccc(OCCOc2ccccc2)c([C@H](C)[NH3+])c1 ZINC000041404427 174547005 /nfs/dbraw/zinc/54/70/05/174547005.db2.gz DUUXVAUVAVDEAZ-AWEZNQCLSA-N 1 0 271.360 3.473 10 0 CGAERO C[NH2+]Cc1cc(-c2ccc3c(c2)CCCO3)cs1 ZINC000042402214 174710587 /nfs/dbraw/zinc/71/05/87/174710587.db2.gz ZSZBUKMCAJESKB-UHFFFAOYSA-N 1 0 259.374 3.460 10 0 CGAERO C[C@H]1CC(C)(C)C[C@@](C[NH3+])(N(C)Cc2cscn2)C1 ZINC000042863527 174893905 /nfs/dbraw/zinc/89/39/05/174893905.db2.gz ZPWHFAWAELFIOH-WFASDCNBSA-N 1 0 281.469 3.119 10 0 CGAERO C[C@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N1CCCSCC1 ZINC000042945729 174921373 /nfs/dbraw/zinc/92/13/73/174921373.db2.gz IHAWULVGSHYZDE-FZMZJTMJSA-N 1 0 284.856 3.167 10 0 CGAERO CC[C@H]([NH3+])[C@@H](c1ccc(Cl)cc1)n1nc(C)cc1C ZINC000042947382 174922094 /nfs/dbraw/zinc/92/20/94/174922094.db2.gz VWQATJKADGGKOW-LSDHHAIUSA-N 1 0 277.799 3.480 10 0 CGAERO CC[C@H]([NH3+])[C@@H](Sc1cnn(C)c1)c1cccc(C)c1 ZINC000042970559 174933580 /nfs/dbraw/zinc/93/35/80/174933580.db2.gz XRRQFASNEORWML-GJZGRUSLSA-N 1 0 275.421 3.299 10 0 CGAERO CC[C@H]([NH3+])[C@H](Sc1nc[nH]n1)c1ccccc1Cl ZINC000043089023 174963802 /nfs/dbraw/zinc/96/38/02/174963802.db2.gz MIMAUBRTDHMDCF-WDEREUQCSA-N 1 0 282.800 3.029 10 0 CGAERO C[C@H]([NH3+])[C@H](c1ccccc1Br)N(C)CC1CC1 ZINC000043092410 174963956 /nfs/dbraw/zinc/96/39/56/174963956.db2.gz NHFWHZFYPSUWMJ-IINYFYTJSA-N 1 0 297.240 3.179 10 0 CGAERO CCCN(CC(F)(F)F)[C@H](c1cccs1)[C@@H](C)[NH3+] ZINC000043106895 174973121 /nfs/dbraw/zinc/97/31/21/174973121.db2.gz WASUBECRQRBZIY-KOLCDFICSA-N 1 0 280.359 3.411 10 0 CGAERO Cc1ccc([C@H]2C[C@@H]([NH3+])CN(C(=O)OC(C)(C)C)C2)cc1 ZINC000044136153 175145861 /nfs/dbraw/zinc/14/58/61/175145861.db2.gz UCLYVEOFKUIMIG-LSDHHAIUSA-N 1 0 290.407 3.047 10 0 CGAERO CC(C)[N@H+](CC1CC1)[C@@H](CN)c1ccc(Cl)cc1 ZINC000044415119 175173092 /nfs/dbraw/zinc/17/30/92/175173092.db2.gz YENWELGNUTZHSF-HNNXBMFYSA-N 1 0 266.816 3.460 10 0 CGAERO COc1ccccc1-c1csc(C[NH2+]C2CC2)n1 ZINC000045206541 175328519 /nfs/dbraw/zinc/32/85/19/175328519.db2.gz IPJCUZCNODEZBR-UHFFFAOYSA-N 1 0 260.362 3.071 10 0 CGAERO CCCn1nc(C[NH2+]CC(C)C)c(-c2ccccc2)n1 ZINC000045944939 175387348 /nfs/dbraw/zinc/38/73/48/175387348.db2.gz BWUUQVZCXOWORS-UHFFFAOYSA-N 1 0 272.396 3.101 10 0 CGAERO FC(F)(F)c1cnc(OC[C@@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000051883445 175526656 /nfs/dbraw/zinc/52/66/56/175526656.db2.gz JVDCAQJAYITGLI-VIFPVBQESA-N 1 0 294.704 3.275 10 0 CGAERO c1ccc2[nH]c(CC[NH2+]CC3CCCCC3)nc2c1 ZINC000057353452 175594773 /nfs/dbraw/zinc/59/47/73/175594773.db2.gz WDHITACERJMFGF-UHFFFAOYSA-N 1 0 257.381 3.275 10 0 CGAERO C[C@@H]1CCCC[C@H]1OCc1ccc(F)cc1C[NH3+] ZINC000071264159 176097346 /nfs/dbraw/zinc/09/73/46/176097346.db2.gz CCZXQSXLZMSEFY-IAQYHMDHSA-N 1 0 251.345 3.380 10 0 CGAERO COc1cccc(COc2ccc(C)cc2C[NH3+])c1 ZINC000071403333 176154720 /nfs/dbraw/zinc/15/47/20/176154720.db2.gz OPUCLYCCNLNBNB-UHFFFAOYSA-N 1 0 257.333 3.041 10 0 CGAERO CC(C)[C@@H](CCCC[NH3+])c1ccc2c(c1)CC(=O)N2 ZINC000071586859 176213710 /nfs/dbraw/zinc/21/37/10/176213710.db2.gz FHODYFMFUYSOOK-CQSZACIVSA-N 1 0 260.381 3.050 10 0 CGAERO Cc1cc([C@@H](O)[C@H](C)[NH2+]C(C)C)ccc1OC(C)C ZINC000071598055 176221623 /nfs/dbraw/zinc/22/16/23/176221623.db2.gz BQHMIXXWBFMATN-BBRMVZONSA-N 1 0 265.397 3.202 10 0 CGAERO C[NH2+][C@H](C(=O)c1ccc(OC(C)C)c(F)c1)C(C)C ZINC000071599130 176223558 /nfs/dbraw/zinc/22/35/58/176223558.db2.gz GPZWZOXLZHLPOX-AWEZNQCLSA-N 1 0 267.344 3.040 10 0 CGAERO Brc1ccc(SC[C@H]2CCC[NH2+]2)s1 ZINC000071629044 176235919 /nfs/dbraw/zinc/23/59/19/176235919.db2.gz PWARYPYRQKKSQD-SSDOTTSWSA-N 1 0 278.240 3.355 10 0 CGAERO COc1cc(Cl)c([C@H](O)C2CC[NH2+]CC2)cc1Cl ZINC000071646288 176240167 /nfs/dbraw/zinc/24/01/67/176240167.db2.gz YDPKPAYQHPEIAK-CYBMUJFWSA-N 1 0 290.190 3.035 10 0 CGAERO Cc1nn(-c2nc3ccccc3s2)c(C)c1[C@@H](C)[NH3+] ZINC000072415716 176399331 /nfs/dbraw/zinc/39/93/31/176399331.db2.gz OSHYBQZXBUFQGV-MRVPVSSYSA-N 1 0 272.377 3.119 10 0 CGAERO Cc1nn(-c2ccc(OC(F)(F)F)cc2)c(C)c1[C@@H](C)[NH3+] ZINC000072415967 176399539 /nfs/dbraw/zinc/39/95/39/176399539.db2.gz ANOUTUPTQWBEOA-MRVPVSSYSA-N 1 0 299.296 3.407 10 0 CGAERO CCC[C@H](C[NH3+])CC(=O)Nc1ccccc1Cl ZINC000076658840 177047684 /nfs/dbraw/zinc/04/76/84/177047684.db2.gz MDNLRHXQWZPLPZ-JTQLQIEISA-N 1 0 254.761 3.044 10 0 CGAERO Cc1cccc(CC[C@@H](CC[NH3+])c2cccnc2)c1 ZINC000076658490 177047804 /nfs/dbraw/zinc/04/78/04/177047804.db2.gz CZHWUBPKHQPWEB-INIZCTEOSA-N 1 0 254.377 3.455 10 0 CGAERO Cc1cccc(C)c1OC[C@H](CC[NH3+])c1cc[nH]c1 ZINC000076667586 177051692 /nfs/dbraw/zinc/05/16/92/177051692.db2.gz IUFWXCYSPMOTQC-HNNXBMFYSA-N 1 0 258.365 3.143 10 0 CGAERO CC[C@@H](CCC[NH3+])C(=O)Nc1cc(Cl)ccc1C ZINC000076706018 177065328 /nfs/dbraw/zinc/06/53/28/177065328.db2.gz XDEIWQKHOFLMSP-NSHDSACASA-N 1 0 268.788 3.352 10 0 CGAERO CC(C)C[C@@H](C[NH3+])CC(=O)Nc1ccccc1Cl ZINC000076705950 177065569 /nfs/dbraw/zinc/06/55/69/177065569.db2.gz NEBUQDNARRHBIR-LLVKDONJSA-N 1 0 268.788 3.290 10 0 CGAERO CC[C@H](C[NH3+])CCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000076706066 177065984 /nfs/dbraw/zinc/06/59/84/177065984.db2.gz RXDRLWBWHSONGM-NSHDSACASA-N 1 0 268.788 3.352 10 0 CGAERO [NH3+]CCC[C@@H](C(=O)Nc1ccccc1)c1cccs1 ZINC000076720872 177069743 /nfs/dbraw/zinc/06/97/43/177069743.db2.gz RDPCDZLTLLLDJT-CYBMUJFWSA-N 1 0 274.389 3.209 10 0 CGAERO CC[NH2+][C@H](C)c1csc(Cc2ccc(OC)cc2)n1 ZINC000076784460 177092012 /nfs/dbraw/zinc/09/20/12/177092012.db2.gz KVSMLRVFEMNBFE-LLVKDONJSA-N 1 0 276.405 3.413 10 0 CGAERO C[C@@]1(c2ccc(Br)cc2)CCCC[NH2+]1 ZINC000077607659 177284332 /nfs/dbraw/zinc/28/43/32/177284332.db2.gz HTJQINMJXFMSIV-LBPRGKRZSA-N 1 0 254.171 3.438 10 0 CGAERO [NH3+][C@H]1CCC[C@H](c2ccccc2Br)C1 ZINC000077607635 177284446 /nfs/dbraw/zinc/28/44/46/177284446.db2.gz HBSIEOGMXXCNJR-UWVGGRQHSA-N 1 0 254.171 3.434 10 0 CGAERO CCc1cccc(C)c1NC(=O)C[NH2+][C@@H](C)C(C)C ZINC000078282677 177329989 /nfs/dbraw/zinc/32/99/89/177329989.db2.gz DKWYYCGSQHOBKD-ZDUSSCGKSA-N 1 0 262.397 3.130 10 0 CGAERO CC(C)N(Cc1cccs1)C(=O)C1CCC([NH3+])CC1 ZINC000049038641 416465401 /nfs/dbraw/zinc/46/54/01/416465401.db2.gz QBPXVOJOISSPGW-UHFFFAOYSA-N 1 0 280.437 3.003 10 0 CGAERO C[C@H](NC(=O)CCC(C)(C)[NH3+])c1ccc2c(c1)CCCC2 ZINC000070087094 416489887 /nfs/dbraw/zinc/48/98/87/416489887.db2.gz CCRDYSRIFHFJIS-ZDUSSCGKSA-N 1 0 288.435 3.260 10 0 CGAERO CC[C@H]1CN(c2nc3ccccc3cc2C)CC[C@@H]1[NH3+] ZINC000123032706 416505300 /nfs/dbraw/zinc/50/53/00/416505300.db2.gz ZFWMTFORJPGHLN-ZFWWWQNUSA-N 1 0 269.392 3.107 10 0 CGAERO CC[C@]1([NH+]2CCCC2)CCCN(C(=O)OC(C)(C)C)C1 ZINC000685961343 544111489 /nfs/dbraw/zinc/11/14/89/544111489.db2.gz QSJCBSUWFYOYFE-INIZCTEOSA-N 1 0 282.428 3.262 10 0 CGAERO CC(C)(C)OC(=O)N1CCC2(C[C@@H](CC3CC3)C[NH2+]2)CC1 ZINC000725256133 544113459 /nfs/dbraw/zinc/11/34/59/544113459.db2.gz UWAXQGADPSYOGB-CQSZACIVSA-N 1 0 294.439 3.166 10 0 CGAERO CCCCc1ccc([C@H](C)[NH2+]C2CC(CO)C2)cc1 ZINC000658351840 418946709 /nfs/dbraw/zinc/94/67/09/418946709.db2.gz PYIAFCFPCJJHEV-KTAKPFMOSA-N 1 0 261.409 3.451 10 0 CGAERO CC1(C)CC[C@H]([NH2+]C2CC(CO)C2)c2ccccc21 ZINC000658352376 418946923 /nfs/dbraw/zinc/94/69/23/418946923.db2.gz FTOCDYZLJPNDOT-ZUEPYMLJSA-N 1 0 259.393 3.160 10 0 CGAERO CCCCc1ccc([C@@H](C)[NH2+]C2CC(CO)C2)cc1 ZINC000658351838 418947394 /nfs/dbraw/zinc/94/73/94/418947394.db2.gz PYIAFCFPCJJHEV-BZOOQXSSSA-N 1 0 261.409 3.451 10 0 CGAERO OCC1CC([NH2+][C@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC000658357146 418949752 /nfs/dbraw/zinc/94/97/52/418949752.db2.gz SCJXKQKWOKCXDD-BNICSPFPSA-N 1 0 259.393 3.073 10 0 CGAERO CC[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CO1 ZINC000657301722 419246277 /nfs/dbraw/zinc/24/62/77/419246277.db2.gz FVKQPBYAUKFYFE-FIQHERPVSA-N 1 0 265.319 3.265 10 0 CGAERO Cc1ncc(C[NH2+][C@H](C)c2ccc(F)c(Cl)c2)n1C ZINC000657326142 419250695 /nfs/dbraw/zinc/25/06/95/419250695.db2.gz AQAKCIBVYVIQBC-SECBINFHSA-N 1 0 281.762 3.372 10 0 CGAERO CC[C@H]([NH2+]C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000662349230 419401956 /nfs/dbraw/zinc/40/19/56/419401956.db2.gz ZGFCTQXZSXFUFG-PELKAZGASA-N 1 0 289.206 3.169 10 0 CGAERO CCCCOC[C@@H](O)C[NH2+]C1CCC(C2CCC2)CC1 ZINC000663370031 419580952 /nfs/dbraw/zinc/58/09/52/419580952.db2.gz MCQUMGPQOINKNY-JCYILVPMSA-N 1 0 283.456 3.113 10 0 CGAERO Cc1ccsc1[C@H](C)[NH2+][C@H]1CCCC[C@@H]1CO ZINC000223856396 287631217 /nfs/dbraw/zinc/63/12/17/287631217.db2.gz UWMNZSHEFCRPTQ-XQQFMLRXSA-N 1 0 253.411 3.258 10 0 CGAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C[C@H]1CCCCC1(F)F ZINC000390914998 262363306 /nfs/dbraw/zinc/36/33/06/262363306.db2.gz DKWDNUYCMUQPTH-KFWWJZLASA-N 1 0 286.410 3.371 10 0 CGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000231673665 287643333 /nfs/dbraw/zinc/64/33/33/287643333.db2.gz WBDTXGTUUFKLAI-UKRRQHHQSA-N 1 0 255.365 3.355 10 0 CGAERO CNC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C(C)C)cc1 ZINC000103173497 270045594 /nfs/dbraw/zinc/04/55/94/270045594.db2.gz LKNCZFKASQEVDG-IAGOWNOFSA-N 1 0 288.435 3.351 10 0 CGAERO CC[C@@H](CO)[NH2+][C@H](c1ccccc1)c1ccccc1C ZINC000105692626 270047855 /nfs/dbraw/zinc/04/78/55/270047855.db2.gz WRZAAXSAAPGKTR-FUHWJXTLSA-N 1 0 269.388 3.445 10 0 CGAERO [NH3+][C@@H](CF)c1cc(Cl)ccc1Br ZINC000238572728 265367921 /nfs/dbraw/zinc/36/79/21/265367921.db2.gz PIVVAYGYCDUWRR-QMMMGPOBSA-N 1 0 252.514 3.072 10 0 CGAERO CCc1nnc(C[NH2+][C@@H]2CCC[C@@H]2CCC(C)C)n1C ZINC000191878190 270076687 /nfs/dbraw/zinc/07/66/87/270076687.db2.gz CCOFHKDWQGQXAC-ZIAGYGMSSA-N 1 0 278.444 3.072 10 0 CGAERO CC(C)N1C[C@H]([NH2+]Cc2cc(Cl)cs2)[C@@H](C)C1 ZINC000193147696 270078666 /nfs/dbraw/zinc/07/86/66/270078666.db2.gz CEORBEQDUUWMFD-GWCFXTLKSA-N 1 0 272.845 3.220 10 0 CGAERO Fc1ccc(OCC[N@@H+]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000194274790 270081523 /nfs/dbraw/zinc/08/15/23/270081523.db2.gz PCWYSYAPOCHDOG-LLVKDONJSA-N 1 0 291.288 3.479 10 0 CGAERO CCC[C@H](CC)NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000195398625 270084689 /nfs/dbraw/zinc/08/46/89/270084689.db2.gz QKLBRQUWEKZXPQ-HOTGVXAUSA-N 1 0 291.439 3.167 10 0 CGAERO COc1ccc([C@H]([NH2+]C[C@H]2CCC[C@@H](O)C2)C2CC2)cc1 ZINC000223119562 270086251 /nfs/dbraw/zinc/08/62/51/270086251.db2.gz IVCBQFZLNFTSST-FDQGKXFDSA-N 1 0 289.419 3.287 10 0 CGAERO CC1(C)[C@H]([NH2+]CC2(C)CCCCC2)[C@H]2CCO[C@@H]21 ZINC000224745743 270086579 /nfs/dbraw/zinc/08/65/79/270086579.db2.gz YQERZTWYPUCFNN-MCIONIFRSA-N 1 0 251.414 3.360 10 0 CGAERO C[C@H](C[N@@H+]1C[C@@H]2CCCCN2C[C@@H]1C)c1ccccc1 ZINC000227361217 270087095 /nfs/dbraw/zinc/08/70/95/270087095.db2.gz MGJKZDULOUQGHT-RYRKJORJSA-N 1 0 272.436 3.349 10 0 CGAERO C[NH2+][C@@H]1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1 ZINC000011933742 273971385 /nfs/dbraw/zinc/97/13/85/273971385.db2.gz FILPIJUYSSPOFW-CQSZACIVSA-N 1 0 273.355 3.244 10 0 CGAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@]1(O)CCSC1 ZINC000247023422 287728628 /nfs/dbraw/zinc/72/86/28/287728628.db2.gz KXWUDTNKZRRXBY-NFAWXSAZSA-N 1 0 271.470 3.049 10 0 CGAERO C[C@H]1C[C@H](CC[NH+]2CCC(C(=O)N(C)C)CC2)C[C@@H](C)C1 ZINC000246321046 274619182 /nfs/dbraw/zinc/61/91/82/274619182.db2.gz WYJDLMDJGZRKKT-ZSHCYNCHSA-N 1 0 294.483 3.249 10 0 CGAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)N[C@@H]1CCCC[C@H]1C ZINC000249828626 287822648 /nfs/dbraw/zinc/82/26/48/287822648.db2.gz SDEHBPKFLPDKCU-HLLBOEOZSA-N 1 0 288.435 3.341 10 0 CGAERO CC(C)c1ccc([C@@H](C)[NH2+]Cc2cncnc2)cc1 ZINC000054767546 275744999 /nfs/dbraw/zinc/74/49/99/275744999.db2.gz KYSXDLBWMCIKBF-CYBMUJFWSA-N 1 0 255.365 3.451 10 0 CGAERO CC1(C)C[C@H]([NH2+]C2CCOCC2)c2ccccc2O1 ZINC000126887576 275867178 /nfs/dbraw/zinc/86/71/78/275867178.db2.gz MNBBZGCQEVIEFJ-AWEZNQCLSA-N 1 0 261.365 3.057 10 0 CGAERO CCC[C@@H]([NH2+]CCn1cc(C)cn1)c1ccc(OC)cc1 ZINC000124111714 276025488 /nfs/dbraw/zinc/02/54/88/276025488.db2.gz IZKQQMWNTJBTCD-QGZVFWFLSA-N 1 0 287.407 3.331 10 0 CGAERO CC1(C)C(c2nc(C3([NH3+])CCCCC3)no2)C1(C)C ZINC000091494257 276099207 /nfs/dbraw/zinc/09/92/07/276099207.db2.gz IALNSQJUEOKANK-UHFFFAOYSA-N 1 0 263.385 3.337 10 0 CGAERO CC1(C)C[C@@H]([NH2+]CCCF)c2ccc(F)cc2O1 ZINC000126848189 276142843 /nfs/dbraw/zinc/14/28/43/276142843.db2.gz OSFNLHNORRRGLH-GFCCVEGCSA-N 1 0 255.308 3.377 10 0 CGAERO CCN1CCC[C@H]([NH2+]Cc2ccccc2C(F)(F)F)C1 ZINC000040502023 276178844 /nfs/dbraw/zinc/17/88/44/276178844.db2.gz FNGMPKHVDDWTAK-ZDUSSCGKSA-N 1 0 286.341 3.279 10 0 CGAERO CCN1CCC[C@@H]([NH2+][C@H](C)c2ccc(F)cc2N(C)C)C1 ZINC000247083551 276369385 /nfs/dbraw/zinc/36/93/85/276369385.db2.gz OZDCAJVBKBOBPB-UKRRQHHQSA-N 1 0 293.430 3.027 10 0 CGAERO C[N@@H+]1CCc2[nH]nc(-c3cccc(C(F)(F)F)c3)c2C1 ZINC000168765476 277186929 /nfs/dbraw/zinc/18/69/29/277186929.db2.gz QJPKJZOFLMGUSC-UHFFFAOYSA-N 1 0 281.281 3.083 10 0 CGAERO CC(C)(C)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000089106609 277266955 /nfs/dbraw/zinc/26/69/55/277266955.db2.gz MSJHGBINSZKJNV-GDBMZVCRSA-N 1 0 288.435 3.231 10 0 CGAERO COC[C@@H]([NH2+]C[C@H]1CCCCS1)c1ccccc1 ZINC000234715398 277569452 /nfs/dbraw/zinc/56/94/52/277569452.db2.gz WDVRPOVIYWBUPK-HUUCEWRRSA-N 1 0 265.422 3.249 10 0 CGAERO OCCC[C@H]1CCC[N@@H+]1C[C@@H]1CCCCC1(F)F ZINC000394473147 288002413 /nfs/dbraw/zinc/00/24/13/288002413.db2.gz NRHJWZIJRPKVHX-QWHCGFSZSA-N 1 0 261.356 3.049 10 0 CGAERO COc1cccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)c1 ZINC000253102723 278010701 /nfs/dbraw/zinc/01/07/01/278010701.db2.gz YFUYYZOFNVMDSQ-KURKYZTESA-N 1 0 289.419 3.211 10 0 CGAERO C[C@H](N[C@H]1CCC[NH2+][C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000396574195 288014104 /nfs/dbraw/zinc/01/41/04/288014104.db2.gz MGXAJXAOWQAGDV-WDMOLILDSA-N 1 0 286.341 3.497 10 0 CGAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000397702865 288028071 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Cc1ccc([C@H](C)NC(=O)[C@H](C(C)C)[C@H](C)[NH3+])c(C)c1 ZINC000399606616 288053303 /nfs/dbraw/zinc/05/33/03/288053303.db2.gz WVZHTEJRXLSRHP-OFQRWUPVSA-N 1 0 276.424 3.100 10 0 CGAERO CC[C@H]([NH2+][C@@H]1CCCCC[C@@H]1O)c1ccc(OC)cc1 ZINC000135628065 288066317 /nfs/dbraw/zinc/06/63/17/288066317.db2.gz AWKGWXGQWATMQI-BBWFWOEESA-N 1 0 277.408 3.430 10 0 CGAERO CC(C)CCN(CCC(C)C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000070576110 278761938 /nfs/dbraw/zinc/76/19/38/278761938.db2.gz CSBUMUWIUHAAGP-HOTGVXAUSA-N 1 0 282.472 3.425 10 0 CGAERO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CCCC[C@@H]1CO ZINC000091344643 279378734 /nfs/dbraw/zinc/37/87/34/279378734.db2.gz KDBRBOHAZICLNQ-XPKDYRNWSA-N 1 0 281.827 3.412 10 0 CGAERO CCC(F)(F)C(C)(C)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000527664807 288185348 /nfs/dbraw/zinc/18/53/48/288185348.db2.gz LKBFSMDAVRWLRB-QJPTWQEYSA-N 1 0 275.383 3.461 10 0 CGAERO Cc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(F)cc2)o1 ZINC000182601525 280939256 /nfs/dbraw/zinc/93/92/56/280939256.db2.gz PUPLECFWWCDJOB-GFCCVEGCSA-N 1 0 290.338 3.407 10 0 CGAERO C[C@@H]1[C@H](C)[NH2+][C@@H](C)[C@H](C)N1Cc1ccc(Cl)cc1 ZINC000059206763 289016592 /nfs/dbraw/zinc/01/65/92/289016592.db2.gz GZDGWAQBEFNWHE-ZDEQEGDKSA-N 1 0 266.816 3.299 10 0 CGAERO C[C@H](CSC(C)(C)C)[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000187289379 289724870 /nfs/dbraw/zinc/72/48/70/289724870.db2.gz AOUNUFNEXCAIAW-FDYHWXHSSA-N 1 0 257.443 3.064 10 0 CGAERO Cn1cccc1[C@@H]1CCCC[N@@H+]1C[C@H]1CCC=CO1 ZINC000248875157 294385773 /nfs/dbraw/zinc/38/57/73/294385773.db2.gz JBYWNGCXVPRZPN-ZBFHGGJFSA-N 1 0 260.381 3.245 10 0 CGAERO COc1ccc([C@@H]([NH2+]C[C@@H](C)SC)C2CC2)cc1 ZINC000091403103 295216265 /nfs/dbraw/zinc/21/62/65/295216265.db2.gz QXFNAGPAZXILBK-ABAIWWIYSA-N 1 0 265.422 3.487 10 0 CGAERO COc1ccc([C@H]([NH2+]C[C@H](C)SC)C2CC2)cc1 ZINC000091403097 295245089 /nfs/dbraw/zinc/24/50/89/295245089.db2.gz QXFNAGPAZXILBK-XHDPSFHLSA-N 1 0 265.422 3.487 10 0 CGAERO Cc1cncc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1 ZINC000248730905 302382790 /nfs/dbraw/zinc/38/27/90/302382790.db2.gz OMMIRWKKGAGYQQ-RKTXRCNFSA-N 1 0 286.419 3.388 10 0 CGAERO Cc1nc2c(s1)[C@H]([NH2+][C@H]1CN(C(C)C)C[C@@H]1C)CCC2 ZINC000181282877 302658790 /nfs/dbraw/zinc/65/87/90/302658790.db2.gz JQGLKUWEUNSTCN-GLQYFDAESA-N 1 0 293.480 3.147 10 0 CGAERO FC1(F)CCC[C@H]1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000336254945 303126554 /nfs/dbraw/zinc/12/65/54/303126554.db2.gz HRTXDKQFLDYUHR-LBPRGKRZSA-N 1 0 291.407 3.020 10 0 CGAERO [NH3+]CCCCCCC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000037042584 303374902 /nfs/dbraw/zinc/37/49/02/303374902.db2.gz VNSQTXNBPVNCKU-RYUDHWBXSA-N 1 0 294.361 3.133 10 0 CGAERO CCC[C@@H](C(=O)NC[C@H](C)Sc1ccccc1)[NH+](C)C ZINC000162333930 321881252 /nfs/dbraw/zinc/88/12/52/321881252.db2.gz ZCCFRVRCYYIAQX-ZFWWWQNUSA-N 1 0 294.464 3.014 10 0 CGAERO C[NH+](C)[C@H]1CCN(C(=O)CC2CCC(C(C)(C)C)CC2)C1 ZINC000162594433 321885402 /nfs/dbraw/zinc/88/54/02/321885402.db2.gz IUBQSCJFFIRVSN-GPANFISMSA-N 1 0 294.483 3.392 10 0 CGAERO CCC[C@H]([NH3+])C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000037007473 327250514 /nfs/dbraw/zinc/25/05/14/327250514.db2.gz QHGZVHSPRZRJDQ-DOMZBBRYSA-N 1 0 276.424 3.289 10 0 CGAERO CCN1CC[C@H]([NH2+][C@@H](C)c2sc(C(C)(C)C)nc2C)C1 ZINC000389307786 328726447 /nfs/dbraw/zinc/72/64/47/328726447.db2.gz DQHNKIIDIBIJTJ-AAEUAGOBSA-N 1 0 295.496 3.494 10 0 CGAERO CC(C)N1C[C@H]([NH2+]C[C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000176474347 335285483 /nfs/dbraw/zinc/28/54/83/335285483.db2.gz JHKDSHIQFKPASH-VYDXJSESSA-N 1 0 260.425 3.108 10 0 CGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000182227051 335804882 /nfs/dbraw/zinc/80/48/82/335804882.db2.gz YJQVEDGJNPDOFE-JMERFSKESA-N 1 0 297.446 3.491 10 0 CGAERO CCCCCN(C(=O)N[C@H]1CCC[N@H+](CC)C1)C(C)C ZINC000195273545 336050730 /nfs/dbraw/zinc/05/07/30/336050730.db2.gz FIQLUCYBWYFITH-HNNXBMFYSA-N 1 0 283.460 3.081 10 0 CGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1csc(C)c1 ZINC000381761517 336072454 /nfs/dbraw/zinc/07/24/54/336072454.db2.gz ORKHIRKFUQVAAZ-LSDHHAIUSA-N 1 0 264.438 3.115 10 0 CGAERO C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)C1 ZINC000382439634 336089808 /nfs/dbraw/zinc/08/98/08/336089808.db2.gz OZHNWONSAMGBLP-TWMKSMIVSA-N 1 0 265.441 3.440 10 0 CGAERO CC(C)C[C@H]1CNC(C)(C)C[N@@H+]1C1CCCCC1 ZINC000062624633 519415037 /nfs/dbraw/zinc/41/50/37/519415037.db2.gz YNEIHUUZJTUHQT-HNNXBMFYSA-N 1 0 252.446 3.418 10 0 CGAERO CC(C)[NH2+]Cc1cnc(N(CC(F)(F)F)C2CC2)s1 ZINC000054906172 519728298 /nfs/dbraw/zinc/72/82/98/519728298.db2.gz OMPXPFYKGXNHQI-UHFFFAOYSA-N 1 0 293.358 3.172 10 0 CGAERO CC(C)[C@@H]1CCC(=O)[C@@H](C[N@H+](C)Cc2ccco2)C1 ZINC000054559001 519801875 /nfs/dbraw/zinc/80/18/75/519801875.db2.gz XJEITSNHDSCECV-ZIAGYGMSSA-N 1 0 263.381 3.353 10 0 CGAERO CC(C)[C@@H](C[NH2+]C1CC1)N1CCCc2ccccc21 ZINC000052421397 519794812 /nfs/dbraw/zinc/79/48/12/519794812.db2.gz DQENSJDDPRWRFV-QGZVFWFLSA-N 1 0 258.409 3.216 10 0 CGAERO CCC[NH2+]C[C@H](CCCOC)Cc1ccc(F)cc1 ZINC000052974939 519932676 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521413698 /nfs/dbraw/zinc/41/36/98/521413698.db2.gz AFEJBEDTCFAZSW-QGZVFWFLSA-N 1 0 286.375 3.206 10 0 CGAERO CCCN(CC(F)(F)F)c1ccc(C(N)=[NH2+])cc1Cl ZINC000062794259 521587329 /nfs/dbraw/zinc/58/73/29/521587329.db2.gz YLDDFGARQRGTMI-UHFFFAOYSA-N 1 0 293.720 3.403 10 0 CGAERO CC[N@@H+]1C[C@@H](c2ccccc2)NC[C@@H]1Cc1ccccc1 ZINC000062671220 521727630 /nfs/dbraw/zinc/72/76/30/521727630.db2.gz GZWPFRROUDOHJV-OALUTQOASA-N 1 0 280.415 3.264 10 0 CGAERO C[NH2+]C[C@@H](OC1CCCCC1)c1cccc(F)c1 ZINC000050487173 522036845 /nfs/dbraw/zinc/03/68/45/522036845.db2.gz BQHJVNXLIKABOS-OAHLLOKOSA-N 1 0 251.345 3.436 10 0 CGAERO C[NH2+]C[C@@H](OCc1ccccc1)c1ccc(C)cc1 ZINC000050488148 522038911 /nfs/dbraw/zinc/03/89/11/522038911.db2.gz SHLCWOWILKLZLW-QGZVFWFLSA-N 1 0 255.361 3.472 10 0 CGAERO CC[C@@H](C)N(C)c1nc(C)c(C[NH2+]C(C)C)s1 ZINC000054996739 522066973 /nfs/dbraw/zinc/06/69/73/522066973.db2.gz BACGXZNLUCVJGM-SNVBAGLBSA-N 1 0 255.431 3.184 10 0 CGAERO C[NH2+]C[C@H]1CC[C@@H](COc2c(C)cc(Cl)cc2C)O1 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CC[C@](C)(C[NH2+]CCOC)Cc1ccc(F)cc1F ZINC000054661978 523462943 /nfs/dbraw/zinc/46/29/43/523462943.db2.gz NPFWSLPNAMZSQD-HNNXBMFYSA-N 1 0 271.351 3.160 10 0 CGAERO CN(c1ccc(C(N)=[NH2+])cc1Cl)C1CCCCC1 ZINC000062793936 523633898 /nfs/dbraw/zinc/63/38/98/523633898.db2.gz XKFUSDGZVSKKNT-UHFFFAOYSA-N 1 0 265.788 3.393 10 0 CGAERO CC[C@@](C)(C[NH2+]CCOC)Cc1cccc(F)c1 ZINC000054661901 523639416 /nfs/dbraw/zinc/63/94/16/523639416.db2.gz HPTCLILBNCHIIK-OAHLLOKOSA-N 1 0 253.361 3.021 10 0 CGAERO CN(C(=O)C[C@@H]1CCC[C@H]([NH3+])C1)C1CCCCCC1 ZINC000055130152 523842998 /nfs/dbraw/zinc/84/29/98/523842998.db2.gz KGUZHVSSZLFMTC-KGLIPLIRSA-N 1 0 266.429 3.075 10 0 CGAERO COCC[NH2+]CCCCOc1c(C)ccc(C)c1C ZINC000053586595 523936425 /nfs/dbraw/zinc/93/64/25/523936425.db2.gz LMJCOJMBZJXGNN-UHFFFAOYSA-N 1 0 265.397 3.007 10 0 CGAERO COc1ccc(CCC[NH2+]C(C)C)cc1Br ZINC000052949345 523937311 /nfs/dbraw/zinc/93/73/11/523937311.db2.gz CEBZRJRANAAVJZ-UHFFFAOYSA-N 1 0 286.213 3.388 10 0 CGAERO 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282.428 3.212 10 0 CGAERO Cc1cccc(-c2noc([C@H]3CCCC[C@@H]3C[NH3+])n2)c1 ZINC000089383402 640642163 /nfs/dbraw/zinc/64/21/63/640642163.db2.gz VVMNWBDRYLMPHH-KGLIPLIRSA-N 1 0 271.364 3.278 10 0 CGAERO Cc1ccc(C)c(NC(=O)[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089386343 640643576 /nfs/dbraw/zinc/64/35/76/640643576.db2.gz XPMDEOWHPSNNHX-KBPBESRZSA-N 1 0 260.381 3.007 10 0 CGAERO CC(C)Oc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000089387360 640644515 /nfs/dbraw/zinc/64/45/15/640644515.db2.gz PNDBWGYICGAOKA-CZUORRHYSA-N 1 0 290.407 3.177 10 0 CGAERO CC(C)N1C[C@H]([NH2+][C@H](C)CSC(C)(C)C)[C@@H](C)C1 ZINC000246508111 640679325 /nfs/dbraw/zinc/67/93/25/640679325.db2.gz TXFHJEGQGJDFFF-MJBXVCDLSA-N 1 0 272.502 3.225 10 0 CGAERO C[NH+](C)CCCNc1nc(-c2ccco2)nc2ccccc21 ZINC000096196036 640824240 /nfs/dbraw/zinc/82/42/40/640824240.db2.gz ARFGXHYVTICUFS-UHFFFAOYSA-N 1 0 296.374 3.253 10 0 CGAERO COc1cccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1 ZINC000124574141 187143420 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/nfs/dbraw/zinc/07/85/89/178078589.db2.gz JYVQFKMQCRCYHA-LURJTMIESA-N 1 0 256.136 3.403 10 0 CGAERO [NH3+]CCCCc1nc(-c2ccc(F)cc2)cs1 ZINC000082555161 178089737 /nfs/dbraw/zinc/08/97/37/178089737.db2.gz CKRGOJXXPOBNFL-UHFFFAOYSA-N 1 0 250.342 3.231 10 0 CGAERO COC(=O)C[C@H]1c2ccccc2C[N@H+]1Cc1ccccc1 ZINC000095830921 185029899 /nfs/dbraw/zinc/02/98/99/185029899.db2.gz SBTPNLFSCKSEDO-KRWDZBQOSA-N 1 0 281.355 3.307 10 0 CGAERO CC1(C)c2cc([C@H]([NH3+])C3CCCC3)ccc2NC1=O ZINC000082620656 178131920 /nfs/dbraw/zinc/13/19/20/178131920.db2.gz UOWIRCYYGHEMLY-CQSZACIVSA-N 1 0 258.365 3.106 10 0 CGAERO Cc1cc(C(=O)[C@@H]2CCC[NH2+]C2)c(C)cc1Cl ZINC000082725168 178240986 /nfs/dbraw/zinc/24/09/86/178240986.db2.gz AEWNMMPNFOHOGM-LLVKDONJSA-N 1 0 251.757 3.139 10 0 CGAERO C[N@@H+]1CCc2[nH]nc(-c3ccc(OC(C)(C)C)cc3)c2C1 ZINC000082807711 178309793 /nfs/dbraw/zinc/30/97/93/178309793.db2.gz IJFXMKNFMVJCCA-UHFFFAOYSA-N 1 0 285.391 3.242 10 0 CGAERO Cc1ccc([C@@H](O)[C@H]2CCC[NH2+]C2)c2ccccc12 ZINC000083166051 178347817 /nfs/dbraw/zinc/34/78/17/178347817.db2.gz YJJMUEVQPWSDGC-GUYCJALGSA-N 1 0 255.361 3.181 10 0 CGAERO CCOC[C@H]1CC2(CO1)CC[NH+](Cc1cccs1)CC2 ZINC000096105869 185098497 /nfs/dbraw/zinc/09/84/97/185098497.db2.gz URGXARUSLIRXNR-CQSZACIVSA-N 1 0 295.448 3.156 10 0 CGAERO Cc1ccsc1-c1cnc(C[NH2+]C2CC2)s1 ZINC000083241539 178366728 /nfs/dbraw/zinc/36/67/28/178366728.db2.gz NDMYQUYCALZCNW-UHFFFAOYSA-N 1 0 250.392 3.432 10 0 CGAERO CC1(C)[C@H](C[NH3+])[C@@H]1c1ccccc1Br ZINC000096958907 185142727 /nfs/dbraw/zinc/14/27/27/185142727.db2.gz HWMUWNKJMLUMMR-KOLCDFICSA-N 1 0 254.171 3.147 10 0 CGAERO CCC(CC)[N@H+](CC(C)C)C[C@@H](O)COC(C)(C)C ZINC000177064814 282177412 /nfs/dbraw/zinc/17/74/12/282177412.db2.gz WCFGMXUFUMCRBU-OAHLLOKOSA-N 1 0 273.461 3.309 10 0 CGAERO Cc1nccc(C[NH2+][C@@H]2CCCCc3ccccc32)n1 ZINC000038037359 282184365 /nfs/dbraw/zinc/18/43/65/282184365.db2.gz PLEZNNIANXYZQQ-QGZVFWFLSA-N 1 0 267.376 3.342 10 0 CGAERO Cc1nn(C)cc1C[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000157719963 282296411 /nfs/dbraw/zinc/29/64/11/282296411.db2.gz JCKBHVNEVZEOOF-OAHLLOKOSA-N 1 0 285.391 3.121 10 0 CGAERO C[C@@H]1C[NH+](Cc2cccc(-c3cccnc3)c2)C[C@@H](C)O1 ZINC000126938662 187272144 /nfs/dbraw/zinc/27/21/44/187272144.db2.gz RVKRLLDQIKNFSH-HUUCEWRRSA-N 1 0 282.387 3.358 10 0 CGAERO C[NH2+]CCc1c(-c2ccccc2)cn2ccccc12 ZINC000003635368 344858509 /nfs/dbraw/zinc/85/85/09/344858509.db2.gz JLLJBFVVMXYMPW-UHFFFAOYSA-N 1 0 250.345 3.368 10 0 CGAERO COc1ccc([C@@](O)(c2ccccc2)[C@H](C)C[NH+](C)C)cc1 ZINC000003642373 344859388 /nfs/dbraw/zinc/85/93/88/344859388.db2.gz SSIVYBUSZDMBEQ-BEFAXECRSA-N 1 0 299.414 3.129 10 0 CGAERO O=C(CCC1CC[NH2+]CC1)c1ccc2c(c1)NCCC2 ZINC000034057190 344937472 /nfs/dbraw/zinc/93/74/72/344937472.db2.gz QPSOHCUASIVFHC-UHFFFAOYSA-N 1 0 272.392 3.007 10 0 CGAERO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C1CCC([NH3+])CC1 ZINC000037806542 344953038 /nfs/dbraw/zinc/95/30/38/344953038.db2.gz KELBXMACGYOOMW-NUYPLMSZSA-N 1 0 294.826 3.377 10 0 CGAERO CCCOc1ccccc1OCC[C@@H]1CCCC[NH2+]1 ZINC000034972587 344941312 /nfs/dbraw/zinc/94/13/12/344941312.db2.gz QHPGHSPAWMNDII-AWEZNQCLSA-N 1 0 263.381 3.386 10 0 CGAERO COc1ccc([C@@H]([NH3+])CCC(C)C)c(OC)c1OC ZINC000036200647 344943340 /nfs/dbraw/zinc/94/33/40/344943340.db2.gz PLPKHDYXNDCODH-LBPRGKRZSA-N 1 0 267.369 3.148 10 0 CGAERO [NH3+][C@H]1CCC[C@H]1Cc1ccc(Br)s1 ZINC000042398060 344983011 /nfs/dbraw/zinc/98/30/11/344983011.db2.gz JESGMVJAPRLOEG-CBAPKCEASA-N 1 0 260.200 3.181 10 0 CGAERO Cc1csc(N2CCC[N@H+](Cc3ccccc3)CC2)n1 ZINC000043533821 345000460 /nfs/dbraw/zinc/00/04/60/345000460.db2.gz BKUSKOCJFLRGOP-UHFFFAOYSA-N 1 0 287.432 3.164 10 0 CGAERO C[NH2+][C@@H](C)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000048775759 345068859 /nfs/dbraw/zinc/06/88/59/345068859.db2.gz BCQZKANRHITHRY-LBPRGKRZSA-N 1 0 286.400 3.384 10 0 CGAERO CC[C@@H]1Cc2c(F)cc(Br)cc2C[NH2+]1 ZINC000052095341 345098596 /nfs/dbraw/zinc/09/85/96/345098596.db2.gz SMWVAQPLPGQPRC-SECBINFHSA-N 1 0 258.134 3.013 10 0 CGAERO CC[C@@](C)([NH3+])Cc1ccc(F)cc1Br ZINC000053758134 345124924 /nfs/dbraw/zinc/12/49/24/345124924.db2.gz UCJSYVBXTUGEOH-LLVKDONJSA-N 1 0 260.150 3.258 10 0 CGAERO CCc1ccc(C[NH+]2CCC(C(=O)Cl)CC2)cc1 ZINC000060246325 345212415 /nfs/dbraw/zinc/21/24/15/345212415.db2.gz PDTNKRGCXQCJDE-UHFFFAOYSA-N 1 0 265.784 3.226 10 0 CGAERO C[C@H]1SCC[NH2+][C@H]1c1ccc(Br)cc1 ZINC000070587986 345392216 /nfs/dbraw/zinc/39/22/16/345392216.db2.gz UQCZUQLNFCGEEY-LDYMZIIASA-N 1 0 272.211 3.215 10 0 CGAERO c1ccc(CCc2ccc([C@H]3C[NH2+]CCO3)cc2)cc1 ZINC000084644649 345739057 /nfs/dbraw/zinc/73/90/57/345739057.db2.gz QHOVKAIFWKCVKH-GOSISDBHSA-N 1 0 267.372 3.133 10 0 CGAERO O[C@@H](CSc1ccccc1)C[NH+]1CCCCCC1 ZINC000084689946 178915250 /nfs/dbraw/zinc/91/52/50/178915250.db2.gz VXQWBQSQVOZERA-CQSZACIVSA-N 1 0 265.422 3.016 10 0 CGAERO CC(C)(C)c1cc(C[NH3+])n(-c2cccc(Cl)c2)n1 ZINC000113487617 345961087 /nfs/dbraw/zinc/96/10/87/345961087.db2.gz CUHWYWJSFYITCE-UHFFFAOYSA-N 1 0 263.772 3.282 10 0 CGAERO C[C@]1(c2ccc(NC(=O)c3ccccc3)cc2)CC[NH2+]C1 ZINC000117726953 345985614 /nfs/dbraw/zinc/98/56/14/345985614.db2.gz ORZAKNIXVRBZPG-SFHVURJKSA-N 1 0 280.371 3.190 10 0 CGAERO Brc1c[nH]c(C[NH2+]C2CCCCC2)c1 ZINC000129246254 346047601 /nfs/dbraw/zinc/04/76/01/346047601.db2.gz MJLBRHIPRHUXFX-UHFFFAOYSA-N 1 0 257.175 3.200 10 0 CGAERO C[C@H]([NH2+]C1CC=CC1)c1ccc(Br)o1 ZINC000132539639 346072487 /nfs/dbraw/zinc/07/24/87/346072487.db2.gz GWFKGCMASZJSRQ-QMMMGPOBSA-N 1 0 256.143 3.411 10 0 CGAERO Cc1c(N)[nH+]c(C(C)C)nc1NCc1ccccc1 ZINC000133061235 346074947 /nfs/dbraw/zinc/07/49/47/346074947.db2.gz XMRCOYVOGCTFTI-UHFFFAOYSA-N 1 0 256.353 3.103 10 0 CGAERO C[C@]1(c2ccc(Br)cc2Cl)CC[NH2+]1 ZINC000135062437 346085916 /nfs/dbraw/zinc/08/59/16/346085916.db2.gz RNQHPCYNFHFQMC-SNVBAGLBSA-N 1 0 260.562 3.311 10 0 CGAERO [NH3+]C[C@H]1Cc2cc(Cl)cc(-c3ccccc3)c2O1 ZINC000137257912 346093534 /nfs/dbraw/zinc/09/35/34/346093534.db2.gz PLOMJZAUHRUVRN-CYBMUJFWSA-N 1 0 259.736 3.269 10 0 CGAERO CC[C@@H]1CN(c2nc3ccc(Cl)cc3s2)CC[NH2+]1 ZINC000145803252 346121575 /nfs/dbraw/zinc/12/15/75/346121575.db2.gz KRRZKNJEWLHOMV-SNVBAGLBSA-N 1 0 281.812 3.138 10 0 CGAERO O=C(OCc1ccccc1)[C@@H](c1ccccc1)N1CCC1 ZINC000149816825 346131587 /nfs/dbraw/zinc/13/15/87/346131587.db2.gz BXFFPCGOFUJQRM-QGZVFWFLSA-N 1 0 281.355 3.177 10 0 CGAERO Cc1[nH]c2c(cc(Br)cc2C)c1C[NH3+] ZINC000158920714 346166039 /nfs/dbraw/zinc/16/60/39/346166039.db2.gz CVLQYALLLCYQLA-UHFFFAOYSA-N 1 0 253.143 3.006 10 0 CGAERO C[C@H]1Cc2c(cc(Br)cc2Cl)[C@@H]1[NH3+] ZINC000161091469 346174177 /nfs/dbraw/zinc/17/41/77/346174177.db2.gz YYCOVXODQNIKME-XUOSJQGZSA-N 1 0 260.562 3.295 10 0 CGAERO C[C@@H]1C[NH2+][C@@H](c2ccc(Br)c(F)c2)S1 ZINC000161837880 346176583 /nfs/dbraw/zinc/17/65/83/346176583.db2.gz JTYFGACXVARTOL-LHLIQPBNSA-N 1 0 276.174 3.312 10 0 CGAERO Cc1cccc([C@@H](C)[NH2+]CC(=O)NC2CCCCC2)c1 ZINC000157303970 346161463 /nfs/dbraw/zinc/16/14/63/346161463.db2.gz KVFZHURSIXNFHN-CQSZACIVSA-N 1 0 274.408 3.095 10 0 CGAERO C[N@H+]1Cc2ccccc2[C@H](c2ccc3nnccc3c2)C1 ZINC000164815441 346182994 /nfs/dbraw/zinc/18/29/94/346182994.db2.gz RNEUOBOHNKDECR-KRWDZBQOSA-N 1 0 275.355 3.207 10 0 CGAERO C[N@H+]1Cc2ccccc2[C@@H](c2ccc3nnccc3c2)C1 ZINC000164815597 346183088 /nfs/dbraw/zinc/18/30/88/346183088.db2.gz RNEUOBOHNKDECR-QGZVFWFLSA-N 1 0 275.355 3.207 10 0 CGAERO [NH3+][C@H](c1sccc1Br)C1=CCCCO1 ZINC000167764382 346188697 /nfs/dbraw/zinc/18/86/97/346188697.db2.gz MHGXKLOKURCHFL-VIFPVBQESA-N 1 0 274.183 3.205 10 0 CGAERO CC(C)(C[NH3+])Oc1cc(Br)ccc1Cl ZINC000168062582 346189531 /nfs/dbraw/zinc/18/95/31/346189531.db2.gz VRBILXAJXUNCCS-UHFFFAOYSA-N 1 0 278.577 3.219 10 0 CGAERO CC(C)C[C@H]([NH3+])c1cccc(I)c1 ZINC000169252830 346192913 /nfs/dbraw/zinc/19/29/13/346192913.db2.gz MQRNXDOVGOLDNA-NSHDSACASA-N 1 0 289.160 3.337 10 0 CGAERO [NH3+]Cc1cccc2cc(S(=O)(=O)c3ccccc3)ccc21 ZINC000202161122 346280548 /nfs/dbraw/zinc/28/05/48/346280548.db2.gz KZSULAPOCANFMK-UHFFFAOYSA-N 1 0 297.379 3.131 10 0 CGAERO [NH3+]C[C@H](c1ccccc1)c1ccc(C(F)(F)F)nc1 ZINC000217385081 346291173 /nfs/dbraw/zinc/29/11/73/346291173.db2.gz HBTYYGDIGVIQSH-GFCCVEGCSA-N 1 0 266.266 3.191 10 0 CGAERO C[NH2+]C[C@@H]1C[C@@H]1c1ccc(Br)c(Cl)c1 ZINC000234378156 346331088 /nfs/dbraw/zinc/33/10/88/346331088.db2.gz KFJAFOSHYIWTJX-DTWKUNHWSA-N 1 0 274.589 3.425 10 0 CGAERO C[NH2+][C@H](C)c1c(F)ccc(Br)c1F ZINC000234428959 346331549 /nfs/dbraw/zinc/33/15/49/346331549.db2.gz OULAEOLXVIFQLS-RXMQYKEDSA-N 1 0 250.086 3.008 10 0 CGAERO CC[C@]1(c2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC000234133525 346331706 /nfs/dbraw/zinc/33/17/06/346331706.db2.gz MGQUZSVCIXSPLA-ZYHUDNBSSA-N 1 0 254.171 3.076 10 0 CGAERO Cc1cc([C@H]([NH3+])[C@@H]2C[C@H]2C)sc1Br ZINC000227644865 346311071 /nfs/dbraw/zinc/31/10/71/346311071.db2.gz XSKCVNACLHSSPE-SLBFFKMLSA-N 1 0 260.200 3.475 10 0 CGAERO C[C@@H]1CSC[C@H](c2cc(Br)cs2)[NH2+]1 ZINC000229867331 346319310 /nfs/dbraw/zinc/31/93/10/346319310.db2.gz OCYHVHSBQNBCRN-HTRCEHHLSA-N 1 0 278.240 3.277 10 0 CGAERO Cc1ncc(CN2CC[NH+](CCC3CCCC3)CC2)s1 ZINC000119126776 370646903 /nfs/dbraw/zinc/64/69/03/370646903.db2.gz YCKSEJFNPHIWHW-UHFFFAOYSA-N 1 0 293.480 3.149 10 0 CGAERO C[C@H]1Cc2c(c(Br)ccc2Cl)[C@@H]1[NH3+] ZINC000235692806 346336900 /nfs/dbraw/zinc/33/69/00/346336900.db2.gz LIMUNCUSPQILLY-XUOSJQGZSA-N 1 0 260.562 3.295 10 0 CGAERO [NH3+]Cc1ccc(-c2sccc2Br)o1 ZINC000236228462 346340060 /nfs/dbraw/zinc/34/00/60/346340060.db2.gz UQDYSYLHENKPLE-UHFFFAOYSA-N 1 0 258.140 3.229 10 0 CGAERO CCC[C@H](C[NH2+][C@@H](C)c1c(C)nn(CC)c1C)OCC ZINC000624050043 349956008 /nfs/dbraw/zinc/95/60/08/349956008.db2.gz WQIJSZFBTFXSBV-SWLSCSKDSA-N 1 0 281.444 3.376 10 0 CGAERO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCOCC1 ZINC000250999000 346386992 /nfs/dbraw/zinc/38/69/92/346386992.db2.gz DGYPVDNVDBIWLY-TUAOUCFPSA-N 1 0 265.319 3.266 10 0 CGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)CC2 ZINC000252894717 346393182 /nfs/dbraw/zinc/39/31/82/346393182.db2.gz ZLLLPXZCIOKJSC-BRWVUGGUSA-N 1 0 259.393 3.266 10 0 CGAERO C[C@H](C[NH3+])[C@H](F)c1cc(Br)ccc1F ZINC000306594867 346455357 /nfs/dbraw/zinc/45/53/57/346455357.db2.gz DUNWNYQZGQTOKQ-LDWIPMOCSA-N 1 0 264.113 3.194 10 0 CGAERO CC1(C)[C@H]([NH2+]C[C@H]2CCCC2(C)C)[C@H]2CCO[C@H]21 ZINC000388841529 346571080 /nfs/dbraw/zinc/57/10/80/346571080.db2.gz HKHVIWHUGBQHGP-AAVRWANBSA-N 1 0 251.414 3.216 10 0 CGAERO C[C@@H](O)C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccccc1)[N@@H+]2C ZINC000584640403 346702786 /nfs/dbraw/zinc/70/27/86/346702786.db2.gz BXNTWUCQENXGRL-LMLQULGWSA-N 1 0 259.393 3.024 10 0 CGAERO FC(F)(F)Oc1cccc([C@]2(C(F)(F)F)CC[NH2+]C2)c1 ZINC000584652002 346705335 /nfs/dbraw/zinc/70/53/35/346705335.db2.gz GJFNUNRASNBITQ-JTQLQIEISA-N 1 0 299.214 3.379 10 0 CGAERO COC[C@@H]1CCC[N@@H+]1C1=Cc2cccc(OC)c2CC1 ZINC000584660312 346705690 /nfs/dbraw/zinc/70/56/90/346705690.db2.gz MYYDRXLACQWITD-HNNXBMFYSA-N 1 0 273.376 3.093 10 0 CGAERO Cc1nc(Cl)c2cc(C[NH+]3CCCC3)[nH]c2c1C ZINC000584620072 346695028 /nfs/dbraw/zinc/69/50/28/346695028.db2.gz LOWQNYUFYVNCKO-UHFFFAOYSA-N 1 0 263.772 3.429 10 0 CGAERO COc1ccc([C@@H](c2ccccc2)[C@H]2C=CC[NH2+]2)cc1 ZINC000584619771 346695283 /nfs/dbraw/zinc/69/52/83/346695283.db2.gz NSFSEIDRMSPXSK-QZTJIDSGSA-N 1 0 265.356 3.355 10 0 CGAERO CCc1ccc(-c2noc([C@H](CC)[C@H](C)[NH3+])n2)cc1 ZINC000104060425 185889149 /nfs/dbraw/zinc/88/91/49/185889149.db2.gz WRQAVLMSWKFBRH-GXFFZTMASA-N 1 0 259.353 3.140 10 0 CGAERO CC(C)[N@@H+]1CCC[C@H](c2ccc3nnccc3c2)C1 ZINC000616618508 348847297 /nfs/dbraw/zinc/84/72/97/348847297.db2.gz XXOSWSWNPWWUPX-HNNXBMFYSA-N 1 0 255.365 3.218 10 0 CGAERO C[C@]12CCC[C@@]1(C)[NH2+][C@H](C(=O)OCc1ccccc1)C2 ZINC000616581957 348835563 /nfs/dbraw/zinc/83/55/63/348835563.db2.gz GABUXTYNXKSCLF-USXIJHARSA-N 1 0 273.376 3.041 10 0 CGAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2cnnc3ccccc32)CC1 ZINC000616596483 348840455 /nfs/dbraw/zinc/84/04/55/348840455.db2.gz WREXEVOYRZELQN-MRXNPFEDSA-N 1 0 285.391 3.192 10 0 CGAERO CC(C)[N@@H+]1CCO[C@@H](c2cccc3ccncc32)CC1 ZINC000616596532 348840647 /nfs/dbraw/zinc/84/06/47/348840647.db2.gz ZLITZIDSXRQERF-QGZVFWFLSA-N 1 0 270.376 3.407 10 0 CGAERO CCOC(=O)c1cccc(C2CC[NH+](C(C)C)CC2)c1 ZINC000616619362 348848186 /nfs/dbraw/zinc/84/81/86/348848186.db2.gz KWNUJFRTXKOVKE-UHFFFAOYSA-N 1 0 275.392 3.451 10 0 CGAERO CCOC(=O)c1ccc([C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000616605816 348843331 /nfs/dbraw/zinc/84/33/31/348843331.db2.gz VOKIGWDGUVJWCN-OAHLLOKOSA-N 1 0 261.365 3.063 10 0 CGAERO C[NH2+]C[C@]1(Cc2csc3ccccc23)CCOC1 ZINC000104228419 185936620 /nfs/dbraw/zinc/93/66/20/185936620.db2.gz SGRXFNQOWVUCAG-OAHLLOKOSA-N 1 0 261.390 3.070 10 0 CGAERO c1nnoc1[C@@H]1CCCCC[N@H+]1Cc1ccccc1 ZINC000616624140 348849835 /nfs/dbraw/zinc/84/98/35/348849835.db2.gz VBBSYYLJRURVLF-AWEZNQCLSA-N 1 0 257.337 3.187 10 0 CGAERO CC[N@@H+]1CCC[C@H](c2ccccc2NC(C)=O)CC1 ZINC000616626728 348850728 /nfs/dbraw/zinc/85/07/28/348850728.db2.gz ACNKCVRHORBAPQ-AWEZNQCLSA-N 1 0 260.381 3.234 10 0 CGAERO CC(C)(C)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000616638592 348853179 /nfs/dbraw/zinc/85/31/79/348853179.db2.gz ZRWAIRUKMRWOGN-ZDUSSCGKSA-N 1 0 252.789 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CGAERO CCC[C@H](C(=O)Nc1cc(C)ccc1Cl)[NH+](C)C ZINC000092604245 165308027 /nfs/dbraw/zinc/30/80/27/165308027.db2.gz QXCDWRPKLGJVAQ-CYBMUJFWSA-N 1 0 268.788 3.317 10 0 CGAERO c1cc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c[nH]1 ZINC000093048762 165322403 /nfs/dbraw/zinc/32/24/03/165322403.db2.gz ITAAFDPXRDRYQD-CQSZACIVSA-N 1 0 270.332 3.081 10 0 CGAERO CN(Cc1ccc(Cl)cc1Cl)CC(C)(C)C[NH3+] ZINC000093861251 165339537 /nfs/dbraw/zinc/33/95/37/165339537.db2.gz VZUBZCXICKLOTB-UHFFFAOYSA-N 1 0 275.223 3.410 10 0 CGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(C)c1 ZINC000094448625 165350073 /nfs/dbraw/zinc/35/00/73/165350073.db2.gz RTNKTXXUIUCPGX-DLBZAZTESA-N 1 0 258.409 3.054 10 0 CGAERO CCC(C)(C)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000109130256 287127924 /nfs/dbraw/zinc/12/79/24/287127924.db2.gz STBRZPXEOOBXMJ-ZDUSSCGKSA-N 1 0 284.444 3.412 10 0 CGAERO COc1ccccc1C1CC([NH2+][C@@H]2CCO[C@@H](C)C2)C1 ZINC000225801000 165757650 /nfs/dbraw/zinc/75/76/50/165757650.db2.gz LFGXYOMXIGIFRN-FGZQJIAISA-N 1 0 275.392 3.098 10 0 CGAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@@H](C)C1CCCCC1 ZINC000261719057 165828377 /nfs/dbraw/zinc/82/83/77/165828377.db2.gz JXFKCXKOJLJYSH-OCVGTWLNSA-N 1 0 280.456 3.083 10 0 CGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1CCCCCC1 ZINC000174986365 287218842 /nfs/dbraw/zinc/21/88/42/287218842.db2.gz GZBLZSXUDWZEPI-HZPDHXFCSA-N 1 0 278.440 3.042 10 0 CGAERO CC1(C)C[C@H](O)[C@H](CC[C@@H](O)c2ccccc2)C(C)(C)[NH2+]1 ZINC000006576649 170214838 /nfs/dbraw/zinc/21/48/38/170214838.db2.gz KDSIPMRCCBLUKQ-XHSDSOJGSA-N 1 0 291.435 3.028 10 0 CGAERO CCOc1ccc([C@@H]([NH3+])Cc2nc3ccccc3[nH]2)cc1 ZINC000008324399 170331109 /nfs/dbraw/zinc/33/11/09/170331109.db2.gz WRHUWBVPVVQPAE-AWEZNQCLSA-N 1 0 281.359 3.204 10 0 CGAERO C[C@H]([NH3+])Cc1nc(-c2ccc(Br)cc2)cs1 ZINC000011883726 170451795 /nfs/dbraw/zinc/45/17/95/170451795.db2.gz PVVBKAHEJVYCGP-QMMMGPOBSA-N 1 0 297.221 3.462 10 0 CGAERO [NH3+][C@H]1CCCCCC[C@H]1OCCOc1ccccc1 ZINC000019265145 170764468 /nfs/dbraw/zinc/76/44/68/170764468.db2.gz HHXDWCPVILRYEM-JKSUJKDBSA-N 1 0 263.381 3.132 10 0 CGAERO COc1ccc(OCCCC[NH3+])c(C(C)(C)C)c1 ZINC000019390492 170781202 /nfs/dbraw/zinc/78/12/02/170781202.db2.gz ULTJYFMUYZKCQT-UHFFFAOYSA-N 1 0 251.370 3.110 10 0 CGAERO C[C@@H]1CC[C@@H](C(=O)Nc2ccc(C(F)(F)F)cc2)C[NH2+]1 ZINC000019471044 170804871 /nfs/dbraw/zinc/80/48/71/170804871.db2.gz UANPVTPEXJVEKR-NXEZZACHSA-N 1 0 286.297 3.032 10 0 CGAERO COc1ccc(O[C@@H](C[NH3+])c2ccc(Cl)cc2)cc1 ZINC000019671003 170835750 /nfs/dbraw/zinc/83/57/50/170835750.db2.gz UYANPEQKLLCMRM-HNNXBMFYSA-N 1 0 277.751 3.427 10 0 CGAERO CC(C)(C)c1ccc(C(=O)NCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000019806774 170875740 /nfs/dbraw/zinc/87/57/40/170875740.db2.gz UHZSPXOWPWMMIA-INIZCTEOSA-N 1 0 288.435 3.246 10 0 CGAERO NC(=[NH2+])c1ccccc1CSc1nc2ccccc2o1 ZINC000019863670 170899084 /nfs/dbraw/zinc/89/90/84/170899084.db2.gz RFIVNDNGGKFEER-UHFFFAOYSA-N 1 0 283.356 3.404 10 0 CGAERO C[C@@H](NCC(C)(C)C[NH+](C)C)c1c(F)cccc1F ZINC000019905768 170917170 /nfs/dbraw/zinc/91/71/70/170917170.db2.gz NLXBCNFNCYYEOF-LLVKDONJSA-N 1 0 270.367 3.203 10 0 CGAERO C[C@H]1CCCC[C@H]1[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000019913436 170923871 /nfs/dbraw/zinc/92/38/71/170923871.db2.gz CXMBZFFZWRFUQM-DZGCQCFKSA-N 1 0 275.392 3.169 10 0 CGAERO COC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000020001235 170966317 /nfs/dbraw/zinc/96/63/17/170966317.db2.gz INVJJGKWEPJBTC-DVOMOZLQSA-N 1 0 275.392 3.388 10 0 CGAERO CC(C)[C@H]1CC[C@H](C)C[C@@H]1[NH2+]CCC(=O)N1CCCC1 ZINC000020127163 171012127 /nfs/dbraw/zinc/01/21/27/171012127.db2.gz NZUSGRXBDRODDF-XHSDSOJGSA-N 1 0 280.456 3.049 10 0 CGAERO C[C@@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1ccncc1 ZINC000020129342 171017009 /nfs/dbraw/zinc/01/70/09/171017009.db2.gz XQGFQRGQBVQTCD-RHSMWYFYSA-N 1 0 269.392 3.035 10 0 CGAERO C[C@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1cccc(O)c1 ZINC000020129393 171017459 /nfs/dbraw/zinc/01/74/59/171017459.db2.gz FELQOOCCCKMUIG-KBXCAEBGSA-N 1 0 284.403 3.346 10 0 CGAERO CC(C)[C@H](C[NH2+]Cc1ccc(Br)cc1)N(C)C ZINC000020145405 171030203 /nfs/dbraw/zinc/03/02/03/171030203.db2.gz PCXLTSSTWLRFQC-AWEZNQCLSA-N 1 0 299.256 3.125 10 0 CGAERO CC(C)[C@H](C[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC000020145816 171030859 /nfs/dbraw/zinc/03/08/59/171030859.db2.gz AYBRMRSOJNKJOM-AWEZNQCLSA-N 1 0 254.805 3.016 10 0 CGAERO CC(C)COc1ccc([C@@H](C)[NH2+]C(C)(C)CO)cc1 ZINC000020196890 171061319 /nfs/dbraw/zinc/06/13/19/171061319.db2.gz QXWCVYZMXZWZHV-CYBMUJFWSA-N 1 0 265.397 3.143 10 0 CGAERO C=COCCC[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000020197375 171061465 /nfs/dbraw/zinc/06/14/65/171061465.db2.gz MUYUMYOGCJAFPE-NSHDSACASA-N 1 0 271.307 3.489 10 0 CGAERO CCOc1ccccc1[C@@H](C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000020207352 171071967 /nfs/dbraw/zinc/07/19/67/171071967.db2.gz OLXSSMDKIGFNSU-NFAWXSAZSA-N 1 0 263.381 3.303 10 0 CGAERO CCN(Cc1ccccc1)[C@@H](C[NH3+])c1cccs1 ZINC000020225298 171087208 /nfs/dbraw/zinc/08/72/08/171087208.db2.gz KVXRKQOXFOVYDK-AWEZNQCLSA-N 1 0 260.406 3.270 10 0 CGAERO Cc1ccc([C@H](CN)[N@H+](C)CCc2ccccc2)cc1 ZINC000020225580 171088962 /nfs/dbraw/zinc/08/89/62/171088962.db2.gz ABAGIUJVBBUKHF-SFHVURJKSA-N 1 0 268.404 3.169 10 0 CGAERO CN(CC(C)(C)C)[C@@H](C[NH3+])c1ccccc1Cl ZINC000020225932 171089775 /nfs/dbraw/zinc/08/97/75/171089775.db2.gz YALHRUZAILPWEB-ZDUSSCGKSA-N 1 0 254.805 3.318 10 0 CGAERO [NH3+][C@@H]1c2ccccc2CC[C@H]1Oc1ccc(F)cc1 ZINC000020262602 171120063 /nfs/dbraw/zinc/12/00/63/171120063.db2.gz RWMWXPONCANZIN-HZPDHXFCSA-N 1 0 257.308 3.219 10 0 CGAERO CC(C)[NH+](CCNc1ccc(Cl)cc1N)C(C)C ZINC000020382010 171172647 /nfs/dbraw/zinc/17/26/47/171172647.db2.gz SGPSLRUHQHXENK-UHFFFAOYSA-N 1 0 269.820 3.453 10 0 CGAERO CCC(CC)NC(=O)[C@@H](C)Oc1ccc([C@@H]([NH3+])CC)cc1 ZINC000020419541 171184162 /nfs/dbraw/zinc/18/41/62/171184162.db2.gz YNRMUYQQHCLVFU-WBMJQRKESA-N 1 0 292.423 3.169 10 0 CGAERO [NH3+]C[C@@H]1CCN(c2c(Cl)cccc2C(F)(F)F)C1 ZINC000020443513 171205546 /nfs/dbraw/zinc/20/55/46/171205546.db2.gz HXIFTNILACWYEV-QMMMGPOBSA-N 1 0 278.705 3.144 10 0 CGAERO [NH3+][C@H](C(=O)Nc1cccc(Cl)c1F)c1ccccc1 ZINC000020472590 171215453 /nfs/dbraw/zinc/21/54/53/171215453.db2.gz KLCXPLFMKVIQQV-ZDUSSCGKSA-N 1 0 278.714 3.118 10 0 CGAERO C[C@H]1C[C@H](C)C[NH+]([C@@]2(CN)CCCc3ccccc32)C1 ZINC000020561277 171251923 /nfs/dbraw/zinc/25/19/23/171251923.db2.gz ZMKXLOYOHYEWOL-RLFYNMQTSA-N 1 0 272.436 3.155 10 0 CGAERO CCOC(=O)CCC[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000020665046 171269414 /nfs/dbraw/zinc/26/94/14/171269414.db2.gz HHBJFOZPJROBJH-UHFFFAOYSA-N 1 0 289.297 3.138 10 0 CGAERO CC[C@H]([NH2+]C[C@H](C(C)C)N(C)C)c1ccc(F)cc1 ZINC000021513642 171311397 /nfs/dbraw/zinc/31/13/97/171311397.db2.gz XAOYNKSWWDOEAA-JKSUJKDBSA-N 1 0 266.404 3.453 10 0 CGAERO CC(C)[C@H]([C@H](N)c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000021816678 171332326 /nfs/dbraw/zinc/33/23/26/171332326.db2.gz AIUBBTLQHFCRBR-DJIMGWMZSA-N 1 0 260.425 3.443 10 0 CGAERO C[C@H]1CCC[C@H](C)[NH+]1CC(=O)Nc1ccc(Cl)cc1N ZINC000022166747 171366233 /nfs/dbraw/zinc/36/62/33/171366233.db2.gz ILQWHKAKAAUHIY-QWRGUYRKSA-N 1 0 295.814 3.124 10 0 CGAERO [NH3+]C[C@H](c1ccc(OC(F)F)cc1)N1CCCCCC1 ZINC000022175859 171370542 /nfs/dbraw/zinc/37/05/42/171370542.db2.gz LRGRLPMSWVKXMD-CQSZACIVSA-N 1 0 284.350 3.164 10 0 CGAERO CCOc1ccccc1[C@@H](C[NH3+])N(C)C1CCCCC1 ZINC000022212787 171374352 /nfs/dbraw/zinc/37/43/52/171374352.db2.gz DDGLBHVNZDTYCI-MRXNPFEDSA-N 1 0 276.424 3.350 10 0 CGAERO [NH3+]C[C@H](c1ccc(F)c(F)c1)N1CCc2sccc2C1 ZINC000022214418 171374972 /nfs/dbraw/zinc/37/49/72/171374972.db2.gz JISPJOZJTYXOIN-CQSZACIVSA-N 1 0 294.370 3.084 10 0 CGAERO C[C@@H]([NH3+])c1ccccc1NC(=O)CCc1ccccc1 ZINC000022222857 171379388 /nfs/dbraw/zinc/37/93/88/171379388.db2.gz DULZEGPMSNJKQO-CYBMUJFWSA-N 1 0 268.360 3.278 10 0 CGAERO CCN(C[C@H]([NH3+])c1ccc(OC)cc1)c1ccccc1 ZINC000022564139 171391805 /nfs/dbraw/zinc/39/18/05/171391805.db2.gz UNTRCDPOFXXGIB-KRWDZBQOSA-N 1 0 270.376 3.222 10 0 CGAERO CCN(C(=O)[C@@H]([NH3+])c1ccccc1)c1cccc(C)c1 ZINC000034758308 171865110 /nfs/dbraw/zinc/86/51/10/171865110.db2.gz NPDZJOKLRYOMHP-INIZCTEOSA-N 1 0 268.360 3.048 10 0 CGAERO Cc1ccc([C@H]([NH3+])[C@H]2COc3ccccc3O2)cc1C ZINC000034972080 171908446 /nfs/dbraw/zinc/90/84/46/171908446.db2.gz LYTSCXJQUQCKIZ-SJORKVTESA-N 1 0 269.344 3.143 10 0 CGAERO C[C@@H]([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)C1CC1 ZINC000035174501 172027746 /nfs/dbraw/zinc/02/77/46/172027746.db2.gz KYSNHGQREJYEDD-MRVPVSSYSA-N 1 0 287.190 3.320 10 0 CGAERO C[N@H+](C1CCCCC1)[C@]1(CN)CCCc2ccccc21 ZINC000035176685 172029239 /nfs/dbraw/zinc/02/92/39/172029239.db2.gz JKWPECINVBZEDJ-SFHVURJKSA-N 1 0 272.436 3.441 10 0 CGAERO Fc1cccc([C@H]2C[NH2+]C[C@H](c3ccccc3)O2)c1 ZINC000035285294 172103449 /nfs/dbraw/zinc/10/34/49/172103449.db2.gz MLSCMMALTGXXRQ-HZPDHXFCSA-N 1 0 257.308 3.228 10 0 CGAERO Fc1ccccc1[C@H]1C[NH2+]C[C@H](c2ccccc2)O1 ZINC000035285276 172103755 /nfs/dbraw/zinc/10/37/55/172103755.db2.gz JKWPXZBOEFJJPX-HZPDHXFCSA-N 1 0 257.308 3.228 10 0 CGAERO CC[C@@H]([NH3+])c1nc2cc(Br)ccc2s1 ZINC000035411303 172182990 /nfs/dbraw/zinc/18/29/90/172182990.db2.gz GAEWICWUZMMNNP-SSDOTTSWSA-N 1 0 271.183 3.469 10 0 CGAERO COc1ccc([C@@H]([NH3+])c2cc(C)cc(C)c2)cc1F ZINC000035424202 172192944 /nfs/dbraw/zinc/19/29/44/172192944.db2.gz CTPZCQUKMSSDBB-MRXNPFEDSA-N 1 0 259.324 3.499 10 0 CGAERO COc1ccc([C@@H]([NH3+])c2ccc(C)cc2C)cc1F ZINC000035424328 172192980 /nfs/dbraw/zinc/19/29/80/172192980.db2.gz MZMAFOQEMGIKDF-MRXNPFEDSA-N 1 0 259.324 3.499 10 0 CGAERO C[NH2+]Cc1c(Oc2cccc(C)c2)nc2sccn12 ZINC000035430631 172199246 /nfs/dbraw/zinc/19/92/46/172199246.db2.gz MXDQVKDSANPLNQ-UHFFFAOYSA-N 1 0 273.361 3.216 10 0 CGAERO C[NH2+][C@H](c1ccoc1)c1cc(Br)ccc1OC ZINC000035455956 172206975 /nfs/dbraw/zinc/20/69/75/172206975.db2.gz OGINXRJBTPHYET-CYBMUJFWSA-N 1 0 296.164 3.360 10 0 CGAERO C[NH2+][C@H](c1cc(Br)ccc1OC)C(C)C ZINC000035456137 172207045 /nfs/dbraw/zinc/20/70/45/172207045.db2.gz JKCYJDBRFICHQC-LBPRGKRZSA-N 1 0 272.186 3.374 10 0 CGAERO C[NH2+][C@@H](c1cccc(F)c1)c1cc(F)ccc1OC ZINC000035499273 172232996 /nfs/dbraw/zinc/23/29/96/172232996.db2.gz FIQRXYOIPYDLEM-HNNXBMFYSA-N 1 0 263.287 3.282 10 0 CGAERO C[NH2+][C@H](c1cnn(C)c1)c1cc(Cl)ccc1Cl ZINC000035500395 172234389 /nfs/dbraw/zinc/23/43/89/172234389.db2.gz SVLBXGDKNLSVMP-GFCCVEGCSA-N 1 0 270.163 3.036 10 0 CGAERO C[NH2+][C@H](Cc1ncc[nH]1)c1cc(Cl)ccc1Cl ZINC000035504322 172238261 /nfs/dbraw/zinc/23/82/61/172238261.db2.gz XLHDBCBEDPBSJA-LLVKDONJSA-N 1 0 270.163 3.220 10 0 CGAERO C[NH2+][C@@H](c1ccc(OC)c(F)c1)c1ccccc1F ZINC000035507885 172240785 /nfs/dbraw/zinc/24/07/85/172240785.db2.gz RMENOMHBUPYXJU-HNNXBMFYSA-N 1 0 263.287 3.282 10 0 CGAERO CC[NH2+][C@@H](c1cc2c(cc1Cl)OCCO2)C1CC1 ZINC000035557804 172263466 /nfs/dbraw/zinc/26/34/66/172263466.db2.gz YBPPFSGLYIMFAA-CQSZACIVSA-N 1 0 267.756 3.172 10 0 CGAERO CCC[NH2+][C@@H](c1cc(F)ccc1OC)[C@@H]1CCCO1 ZINC000035583926 172282590 /nfs/dbraw/zinc/28/25/90/172282590.db2.gz FNXAANHIBKFKIJ-GJZGRUSLSA-N 1 0 267.344 3.054 10 0 CGAERO CCC[NH2+][C@@H](Cc1ccccc1Cl)c1cnn(C)c1 ZINC000035584220 172283017 /nfs/dbraw/zinc/28/30/17/172283017.db2.gz PIZXNQIQIWRVDV-HNNXBMFYSA-N 1 0 277.799 3.357 10 0 CGAERO CCC[NH2+][C@H](c1cnn(C)c1)c1ccc(Cl)cc1F ZINC000035584208 172283123 /nfs/dbraw/zinc/28/31/23/172283123.db2.gz XKFXJCWRDTYKRX-CQSZACIVSA-N 1 0 281.762 3.302 10 0 CGAERO Cc1ccc([C@@H](C[NH3+])N(C)Cc2ccco2)c(C)c1 ZINC000035701304 172369402 /nfs/dbraw/zinc/36/94/02/172369402.db2.gz YFNGJLTYCXOQIV-MRXNPFEDSA-N 1 0 258.365 3.028 10 0 CGAERO CN(Cc1ccsc1)[C@H](C[NH3+])c1cccc(F)c1 ZINC000035718857 172373211 /nfs/dbraw/zinc/37/32/11/172373211.db2.gz CTZIHXRXHUWBJL-CQSZACIVSA-N 1 0 264.369 3.019 10 0 CGAERO C[N@H+](Cc1ccsc1)Cc1ccccc1C(N)=S ZINC000035719219 172373300 /nfs/dbraw/zinc/37/33/00/172373300.db2.gz RYOGYZKOZLZIMZ-UHFFFAOYSA-N 1 0 276.430 3.014 10 0 CGAERO [NH3+]Cc1ccnc(Oc2ccc(F)cc2Br)c1 ZINC000035719793 172374024 /nfs/dbraw/zinc/37/40/24/172374024.db2.gz ZXLQEVFTNLAHRB-UHFFFAOYSA-N 1 0 297.127 3.234 10 0 CGAERO [NH3+]Cc1ccnc(Sc2ccc3c(c2)CCC3)c1 ZINC000035720266 172375127 /nfs/dbraw/zinc/37/51/27/172375127.db2.gz PCKDQWNHLWQWJI-UHFFFAOYSA-N 1 0 256.374 3.180 10 0 CGAERO CCOc1ccc2[nH]c(S[C@H](CC)CC[NH3+])nc2c1 ZINC000035722617 172378008 /nfs/dbraw/zinc/37/80/08/172378008.db2.gz XGKUPBXJWPGACC-LLVKDONJSA-N 1 0 279.409 3.181 10 0 CGAERO Cc1csc(SCc2ccccc2C[NH3+])n1 ZINC000035724613 172379518 /nfs/dbraw/zinc/37/95/18/172379518.db2.gz RVSAIWIFRUSZQL-UHFFFAOYSA-N 1 0 250.392 3.203 10 0 CGAERO CC(C)(C)c1nc(C2([NH3+])CCCCCCC2)no1 ZINC000036764819 172683819 /nfs/dbraw/zinc/68/38/19/172683819.db2.gz VNSWLGXHIDHFKD-UHFFFAOYSA-N 1 0 251.374 3.265 10 0 CGAERO CCc1[nH]c([C@H]2CCCC[NH2+]2)nc1-c1ccccc1 ZINC000036876520 172771928 /nfs/dbraw/zinc/77/19/28/172771928.db2.gz LSPQVKOXZNXEHY-CQSZACIVSA-N 1 0 255.365 3.454 10 0 CGAERO [NH3+][C@@H](Cc1ccccn1)c1cc(F)cc(Br)c1 ZINC000037034482 172902640 /nfs/dbraw/zinc/90/26/40/172902640.db2.gz YTKRSAOAYYVMTR-ZDUSSCGKSA-N 1 0 295.155 3.226 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1ccccc1Cl ZINC000037166659 173001360 /nfs/dbraw/zinc/00/13/60/173001360.db2.gz NSGCMOCHJYHXIU-CQSZACIVSA-N 1 0 268.832 3.406 10 0 CGAERO CCc1ccc(C[NH2+][C@H](CC(C)C)CN(C)C)cc1 ZINC000037166711 173001865 /nfs/dbraw/zinc/00/18/65/173001865.db2.gz ZOIBGOSANOESPE-QGZVFWFLSA-N 1 0 262.441 3.315 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1cccc(Cl)c1 ZINC000037167004 173001893 /nfs/dbraw/zinc/00/18/93/173001893.db2.gz LQFLHBUUSPKSFY-OAHLLOKOSA-N 1 0 268.832 3.406 10 0 CGAERO Cc1cc(N)ccc1SCC[NH+]1CCCCC1 ZINC000037193855 173023097 /nfs/dbraw/zinc/02/30/97/173023097.db2.gz VUWVXJLARQCBFV-UHFFFAOYSA-N 1 0 250.411 3.155 10 0 CGAERO C[C@H](Nc1ccccc1Cl)C1CC[NH+](C)CC1 ZINC000037209970 173031741 /nfs/dbraw/zinc/03/17/41/173031741.db2.gz FAXRYWQSQAUSCL-NSHDSACASA-N 1 0 252.789 3.482 10 0 CGAERO Cc1ccc(F)c(N[C@@H](C)[C@@H]2CCC[N@H+](C)C2)c1 ZINC000037221891 173041503 /nfs/dbraw/zinc/04/15/03/173041503.db2.gz VCIWCICMKSPSPD-QWHCGFSZSA-N 1 0 250.361 3.276 10 0 CGAERO CCC[NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000037240582 173056633 /nfs/dbraw/zinc/05/66/33/173056633.db2.gz QDSSILRSJYAHEW-LLVKDONJSA-N 1 0 272.314 3.284 10 0 CGAERO C[C@@H]([NH2+][C@H](c1cccs1)C1CCCC1)C(=O)N(C)C ZINC000037268210 173078489 /nfs/dbraw/zinc/07/84/89/173078489.db2.gz MNSQQIAOAGNCSO-RISCZKNCSA-N 1 0 280.437 3.046 10 0 CGAERO [NH3+][C@@H](c1cnn(-c2ccccc2)c1)c1ccccc1F ZINC000037308952 173111755 /nfs/dbraw/zinc/11/17/55/173111755.db2.gz HNIJCZBXZKFGEH-INIZCTEOSA-N 1 0 267.307 3.060 10 0 CGAERO Cc1ccc2c(c1)nc([C@@H]1CCC[NH2+]C1)n2C1CC1 ZINC000037438622 173209842 /nfs/dbraw/zinc/20/98/42/173209842.db2.gz VHIGTWQXWUZJMN-GFCCVEGCSA-N 1 0 255.365 3.147 10 0 CGAERO Clc1ccc2c(c1)nc([C@@H]1CCC[NH2+]C1)n2C1CC1 ZINC000037440732 173210418 /nfs/dbraw/zinc/21/04/18/173210418.db2.gz KLGRZLLOPVNSEZ-SNVBAGLBSA-N 1 0 275.783 3.492 10 0 CGAERO [NH3+][C@@H](Cc1ccccc1Br)c1ccncc1 ZINC000037466451 173226770 /nfs/dbraw/zinc/22/67/70/173226770.db2.gz JMEFFKHOLFPQGZ-ZDUSSCGKSA-N 1 0 277.165 3.087 10 0 CGAERO CC(C)[NH+](CCNc1nc2ccccc2[nH]1)C(C)C ZINC000037493971 173233891 /nfs/dbraw/zinc/23/38/91/173233891.db2.gz YDELXFMITXECAZ-UHFFFAOYSA-N 1 0 260.385 3.094 10 0 CGAERO CC(C)=CCN1CCC([NH2+]C2CCCCC2)CC1 ZINC000037509892 173243224 /nfs/dbraw/zinc/24/32/24/173243224.db2.gz DKRDRSMOKXCZEJ-UHFFFAOYSA-N 1 0 250.430 3.339 10 0 CGAERO Cc1ccc(C[C@]2([NH3+])CCc3ccccc3C2)cc1 ZINC000037531558 173253505 /nfs/dbraw/zinc/25/35/05/173253505.db2.gz FLNQKLUOWKHHGB-GOSISDBHSA-N 1 0 251.373 3.424 10 0 CGAERO C[NH2+][C@@H](Cc1cccc(Br)c1)c1cccnc1 ZINC000037534575 173254285 /nfs/dbraw/zinc/25/42/85/173254285.db2.gz DTSWKWMRPAQRLW-AWEZNQCLSA-N 1 0 291.192 3.347 10 0 CGAERO CCC[NH2+][C@H](Cc1ccccc1F)C[C@H]1CCCO1 ZINC000037535284 173254579 /nfs/dbraw/zinc/25/45/79/173254579.db2.gz LGVZHKXJFOTMRE-HUUCEWRRSA-N 1 0 265.372 3.306 10 0 CGAERO CCC[NH2+][C@@H](C)c1cc(F)ccc1OCCCOC ZINC000037747472 173669578 /nfs/dbraw/zinc/66/95/78/173669578.db2.gz HQKRFOGBZYWYEO-LBPRGKRZSA-N 1 0 269.360 3.302 10 0 CGAERO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000037980642 173939517 /nfs/dbraw/zinc/93/95/17/173939517.db2.gz BHQBPJYVOBGHHJ-GRYCIOLGSA-N 1 0 282.815 3.294 10 0 CGAERO CC[C@H]([NH2+]C[C@@H](C)N1CCCCC1)c1ccc(O)cc1 ZINC000038028384 174016500 /nfs/dbraw/zinc/01/65/00/174016500.db2.gz XFMUFUXDLWZNSN-PBHICJAKSA-N 1 0 276.424 3.307 10 0 CGAERO C[C@@H](CNc1ncccc1C(F)(F)F)[NH+]1CCCCC1 ZINC000038029364 174019502 /nfs/dbraw/zinc/01/95/02/174019502.db2.gz PISQPCGUQUNJJW-NSHDSACASA-N 1 0 287.329 3.387 10 0 CGAERO Clc1ccc(NC2CC[NH2+]CC2)c2cccnc12 ZINC000038041269 174042352 /nfs/dbraw/zinc/04/23/52/174042352.db2.gz MLOLFQVTIGTRFZ-UHFFFAOYSA-N 1 0 261.756 3.052 10 0 CGAERO CC(C)c1ccc(C(=O)N[C@H](C[NH3+])C2CCCCC2)cc1 ZINC000127370973 287286354 /nfs/dbraw/zinc/28/63/54/287286354.db2.gz DYACQDKJURAWRI-QGZVFWFLSA-N 1 0 288.435 3.447 10 0 CGAERO C[NH2+]Cc1ccc(-c2ccc(N(C)C)cc2)cc1F ZINC000038070121 174080861 /nfs/dbraw/zinc/08/08/61/174080861.db2.gz BDICGNGYJMYJMI-UHFFFAOYSA-N 1 0 258.340 3.278 10 0 CGAERO Clc1cccc(-c2c[nH]c(CC3CC[NH2+]CC3)n2)c1 ZINC000038076156 174086403 /nfs/dbraw/zinc/08/64/03/174086403.db2.gz HWWXPUOFIXSNNS-UHFFFAOYSA-N 1 0 275.783 3.272 10 0 CGAERO CCC[NH2+]C1CCN(Cc2cc(C)cc(C)c2)CC1 ZINC000038076634 174087435 /nfs/dbraw/zinc/08/74/35/174087435.db2.gz PXWQHMZFDCGQIL-UHFFFAOYSA-N 1 0 260.425 3.267 10 0 CGAERO C[C@@H](NC(=O)CCCCC[NH3+])c1cccc(Cl)c1 ZINC000038092768 174106781 /nfs/dbraw/zinc/10/67/81/174106781.db2.gz XDVPLKUEBRKRNS-LLVKDONJSA-N 1 0 268.788 3.036 10 0 CGAERO C[C@H]([NH2+]CC[C@@H]1CCCO1)c1cc(F)ccc1F ZINC000038095680 174109201 /nfs/dbraw/zinc/10/92/01/174109201.db2.gz NUSAKYMBAKASBZ-JQWIXIFHSA-N 1 0 255.308 3.185 10 0 CGAERO c1ccc2c(c1)CSC[C@@H]2[NH2+]CC[C@@H]1CCCO1 ZINC000038096441 174110164 /nfs/dbraw/zinc/11/01/64/174110164.db2.gz BBECEEAIIVCWJB-ZFWWWQNUSA-N 1 0 263.406 3.133 10 0 CGAERO C[NH2+][C@@H](Cc1ccc(OC)cc1)c1cc(C)oc1C ZINC000038133330 174132336 /nfs/dbraw/zinc/13/23/36/174132336.db2.gz PNBMYFGLSXEDMZ-INIZCTEOSA-N 1 0 259.349 3.408 10 0 CGAERO CC[NH+](CC)CCCn1cnc2cc(Cl)ccc21 ZINC000040403677 174253766 /nfs/dbraw/zinc/25/37/66/174253766.db2.gz AEESZVGPONXSHJ-UHFFFAOYSA-N 1 0 265.788 3.422 10 0 CGAERO [NH3+]CCc1nc2ccc(Cl)cc2n1Cc1ccccc1 ZINC000040417908 174256449 /nfs/dbraw/zinc/25/64/49/174256449.db2.gz KWCFZPPOQCTKNB-UHFFFAOYSA-N 1 0 285.778 3.239 10 0 CGAERO CCC[NH2+]Cc1csc(-c2cccc(F)c2)n1 ZINC000040420365 174257220 /nfs/dbraw/zinc/25/72/20/174257220.db2.gz HRMCHVJHLTYZFA-UHFFFAOYSA-N 1 0 250.342 3.449 10 0 CGAERO CCc1c(C)nn(-c2cccc(Cl)c2C[NH3+])c1C ZINC000040733525 174388872 /nfs/dbraw/zinc/38/88/72/174388872.db2.gz IGUGPBXAXWKVDV-UHFFFAOYSA-N 1 0 263.772 3.164 10 0 CGAERO COc1cc(NCCC[NH+]2CCCC2)c(OC)cc1Cl ZINC000041502939 174562708 /nfs/dbraw/zinc/56/27/08/174562708.db2.gz SSCWBSKSKMPZNV-UHFFFAOYSA-N 1 0 298.814 3.255 10 0 CGAERO CCC[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000042580700 174804890 /nfs/dbraw/zinc/80/48/90/174804890.db2.gz DAUSGJVDOZMMMA-JTQLQIEISA-N 1 0 256.752 3.057 10 0 CGAERO Cc1ccsc1[C@@H](C[NH3+])N(CC(F)(F)F)C(C)C ZINC000042746845 174864930 /nfs/dbraw/zinc/86/49/30/174864930.db2.gz LXPFYCBUMWBTOI-SNVBAGLBSA-N 1 0 280.359 3.329 10 0 CGAERO CC[C@@H]([NH3+])[C@H](Sc1cnn(C)c1)c1ccc(C)cc1 ZINC000042944155 174919492 /nfs/dbraw/zinc/91/94/92/174919492.db2.gz NZYMJUBMTGDDNK-HUUCEWRRSA-N 1 0 275.421 3.299 10 0 CGAERO C[C@@H]([NH3+])[C@H](Sc1ccccn1)c1cccc(F)c1 ZINC000042974464 174937516 /nfs/dbraw/zinc/93/75/16/174937516.db2.gz NZAIMDUSEIQQLA-YGRLFVJLSA-N 1 0 262.353 3.401 10 0 CGAERO CC[C@@H]([NH3+])[C@@H](Sc1nncn1C)c1cccc(Cl)c1 ZINC000043019140 174944372 /nfs/dbraw/zinc/94/43/72/174944372.db2.gz ZXCPBBPOHFSTBK-NEPJUHHUSA-N 1 0 296.827 3.039 10 0 CGAERO CCOC(=O)CS[C@H](c1cccc(Cl)c1)[C@@H](C)[NH3+] ZINC000043019551 174944742 /nfs/dbraw/zinc/94/47/42/174944742.db2.gz DICWQZFVXWSVCB-RNCFNFMXSA-N 1 0 287.812 3.025 10 0 CGAERO CC[C@H]([NH3+])[C@@H](Sc1cnn(C)c1)c1ccccc1C ZINC000043042101 174954063 /nfs/dbraw/zinc/95/40/63/174954063.db2.gz SYCKHFCWVQSEGM-GJZGRUSLSA-N 1 0 275.421 3.299 10 0 CGAERO Cc1nn([C@@H](c2ccccc2Cl)[C@@H](C)[NH3+])c(C)c1C ZINC000043053309 174961066 /nfs/dbraw/zinc/96/10/66/174961066.db2.gz CUHNJDSPTRYVIA-MEBBXXQBSA-N 1 0 277.799 3.398 10 0 CGAERO C[C@@H]([NH3+])[C@@H](Sc1ncccn1)c1ccccc1Cl ZINC000043089478 174963710 /nfs/dbraw/zinc/96/37/10/174963710.db2.gz SPFOWDZHXJFSCC-BXKDBHETSA-N 1 0 279.796 3.311 10 0 CGAERO CCOC(=O)CS[C@H](c1ccccc1Cl)[C@H](C)[NH3+] ZINC000043089937 174964277 /nfs/dbraw/zinc/96/42/77/174964277.db2.gz HRDLFXWBHFHHKH-ZANVPECISA-N 1 0 287.812 3.025 10 0 CGAERO C[C@H]([NH3+])[C@H](Oc1ccc(F)cc1)c1cccs1 ZINC000043108470 174973690 /nfs/dbraw/zinc/97/36/90/174973690.db2.gz NIPXXDSMLIETDJ-ZANVPECISA-N 1 0 251.326 3.355 10 0 CGAERO CC[N@H+](Cc1cc(Br)cs1)[C@H](C)COC ZINC000043687319 175095024 /nfs/dbraw/zinc/09/50/24/175095024.db2.gz RCXPFIFOGBIRIX-SECBINFHSA-N 1 0 292.242 3.367 10 0 CGAERO c1ccc2oc(SCC[C@@H]3CCCC[NH2+]3)nc2c1 ZINC000043499401 175058490 /nfs/dbraw/zinc/05/84/90/175058490.db2.gz ZAUMZSARNSSBID-NSHDSACASA-N 1 0 262.378 3.452 10 0 CGAERO CCN(C[C@@H]1[NH2+]CCc2ccccc21)c1ccccc1 ZINC000043595979 175076850 /nfs/dbraw/zinc/07/68/50/175076850.db2.gz DPIHLTXRROYYPN-SFHVURJKSA-N 1 0 266.388 3.400 10 0 CGAERO [NH3+][C@H]1CCC[C@H]1Cc1cc(Br)cs1 ZINC000043688097 175095855 /nfs/dbraw/zinc/09/58/55/175095855.db2.gz AEXJWCGQLOTXDW-XVKPBYJWSA-N 1 0 260.200 3.181 10 0 CGAERO CN[C@H](c1ccccc1)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000043813987 175111478 /nfs/dbraw/zinc/11/14/78/175111478.db2.gz GMYJUBDEMQZTIL-SJORKVTESA-N 1 0 260.425 3.458 10 0 CGAERO COc1ccc([C@@H](O)C[N@H+](C)C2CCCCC2)c(OC)c1 ZINC000044120468 175142812 /nfs/dbraw/zinc/14/28/12/175142812.db2.gz ZCAVTBVSPPRZGO-INIZCTEOSA-N 1 0 293.407 3.002 10 0 CGAERO COc1ccc(C)cc1[C@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000044121881 175143270 /nfs/dbraw/zinc/14/32/70/175143270.db2.gz FADUGDIGKVAMEP-IJEWVQPXSA-N 1 0 277.408 3.300 10 0 CGAERO CCOc1ccc([C@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000044121693 175143381 /nfs/dbraw/zinc/14/33/81/175143381.db2.gz YIUZBTZEXISHHP-JKIFEVAISA-N 1 0 277.408 3.382 10 0 CGAERO COc1ccc(OC)c([C@H]([NH3+])c2cc(C)sc2C)c1 ZINC000044482122 175179513 /nfs/dbraw/zinc/17/95/13/175179513.db2.gz OCNYBJRWSMIQCF-OAHLLOKOSA-N 1 0 277.389 3.430 10 0 CGAERO CN1CCCC[C@@H]1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000044561477 175204936 /nfs/dbraw/zinc/20/49/36/175204936.db2.gz VXBRGVLVPXOHOJ-NVXWUHKLSA-N 1 0 258.409 3.138 10 0 CGAERO CCc1ccc(C[NH2+]CCc2nc3ccccc3[nH]2)cc1 ZINC000057353432 175594405 /nfs/dbraw/zinc/59/44/05/175594405.db2.gz JTMJLOAZSWVWDZ-UHFFFAOYSA-N 1 0 279.387 3.458 10 0 CGAERO COc1ccccc1[C@H](C[NH3+])Nc1ccc(Cl)cc1 ZINC000057573554 175599658 /nfs/dbraw/zinc/59/96/58/175599658.db2.gz OWNYLIGPNABEAH-AWEZNQCLSA-N 1 0 276.767 3.461 10 0 CGAERO CC[NH2+][C@](C)(Cc1ccc(OC)cc1)c1nccs1 ZINC000071169856 176050639 /nfs/dbraw/zinc/05/06/39/176050639.db2.gz CSWONXNLCMXPEG-OAHLLOKOSA-N 1 0 276.405 3.219 10 0 CGAERO CCC[NH2+]Cc1cnn(Cc2ccccc2C)c1C ZINC000071187340 176060617 /nfs/dbraw/zinc/06/06/17/176060617.db2.gz LRKZXSRZHCSVNU-UHFFFAOYSA-N 1 0 257.381 3.048 10 0 CGAERO [NH3+][C@H]1c2cc(Br)ccc2CCC12CC2 ZINC000071489300 176190116 /nfs/dbraw/zinc/19/01/16/176190116.db2.gz LNUGOOXZXJVGHR-NSHDSACASA-N 1 0 252.155 3.175 10 0 CGAERO C[NH2+]C[C@@H](OC)c1cc(C(C)C)c(OC)cc1C ZINC000071573555 176200233 /nfs/dbraw/zinc/20/02/33/176200233.db2.gz SHYKMWAUUJLZRG-OAHLLOKOSA-N 1 0 251.370 3.034 10 0 CGAERO CC(C)Oc1ccc([C@@H](C)OCC[NH3+])cc1Cl ZINC000071583393 176208189 /nfs/dbraw/zinc/20/81/89/176208189.db2.gz CJQNPNRBYPYJTG-SNVBAGLBSA-N 1 0 257.761 3.164 10 0 CGAERO CC(C)Oc1ccc([C@H](C)OCC[NH3+])cc1Cl ZINC000071583395 176208362 /nfs/dbraw/zinc/20/83/62/176208362.db2.gz CJQNPNRBYPYJTG-JTQLQIEISA-N 1 0 257.761 3.164 10 0 CGAERO CC[NH2+][C@H](CC)C(=O)c1cc(Cl)c(OC)cc1C ZINC000071600956 176227045 /nfs/dbraw/zinc/22/70/45/176227045.db2.gz RAGMGYKBLZJGKL-GFCCVEGCSA-N 1 0 269.772 3.228 10 0 CGAERO CCOc1cc(C)c(C(=O)[C@H](CC)[NH2+]C)cc1Cl ZINC000071600973 176227542 /nfs/dbraw/zinc/22/75/42/176227542.db2.gz OUKYMQHPHDPILD-LBPRGKRZSA-N 1 0 269.772 3.228 10 0 CGAERO CC[NH2+][C@@H](C)[C@H](O)c1cc(Cl)c(OCC)cc1C ZINC000071611241 176231795 /nfs/dbraw/zinc/23/17/95/176231795.db2.gz KHHWYQUDBDBYON-HZMBPMFUSA-N 1 0 271.788 3.079 10 0 CGAERO Cc1cc(Br)cc([C@H]2CCC[NH2+]2)c1F ZINC000075867999 176807913 /nfs/dbraw/zinc/80/79/13/176807913.db2.gz YNAWTXSFVMGCGW-SNVBAGLBSA-N 1 0 258.134 3.321 10 0 CGAERO [NH3+][C@H]1CCC[C@@H](c2ccc(Br)s2)C1 ZINC000076323131 176987126 /nfs/dbraw/zinc/98/71/26/176987126.db2.gz NHEYJYZENSACSC-SFYZADRCSA-N 1 0 260.200 3.496 10 0 CGAERO CCc1ccc([C@H](C[NH3+])COc2ccccc2)cc1 ZINC000076660259 177048746 /nfs/dbraw/zinc/04/87/46/177048746.db2.gz RRDYYNGWBLETPK-MRXNPFEDSA-N 1 0 255.361 3.370 10 0 CGAERO [NH3+]CC[C@H](CCc1ccc(F)cc1)c1ccccn1 ZINC000076666273 177051124 /nfs/dbraw/zinc/05/11/24/177051124.db2.gz FMIPSXFYXGRGRH-AWEZNQCLSA-N 1 0 258.340 3.286 10 0 CGAERO Cc1ccc(OC[C@H](CC[NH3+])c2ccc[nH]2)cc1C ZINC000076667582 177051620 /nfs/dbraw/zinc/05/16/20/177051620.db2.gz XXIQVRQAFIXYKZ-AWEZNQCLSA-N 1 0 258.365 3.143 10 0 CGAERO 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O[C@@H]1CCCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ncccc1Cl ZINC000528487039 270166109 /nfs/dbraw/zinc/16/61/09/270166109.db2.gz GAFNGRLNRUAQJJ-VBNZEHGJSA-N 1 0 294.826 3.251 10 0 CGAERO O[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000250536687 275052794 /nfs/dbraw/zinc/05/27/94/275052794.db2.gz QBVVHDWEPBWRHL-YESZJQIVSA-N 1 0 259.393 3.347 10 0 CGAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000167121679 275058841 /nfs/dbraw/zinc/05/88/41/275058841.db2.gz CZNGEJIFHOIFLN-GWCFXTLKSA-N 1 0 291.288 3.095 10 0 CGAERO Brc1cccc2c1C1(CCCC1)C[NH2+]C2 ZINC000095775062 275373615 /nfs/dbraw/zinc/37/36/15/275373615.db2.gz SYSVDHWGTNEZJJ-UHFFFAOYSA-N 1 0 266.182 3.364 10 0 CGAERO Brc1cccc2c1C[NH2+]CC21CCCC1 ZINC000095775060 275374640 /nfs/dbraw/zinc/37/46/40/275374640.db2.gz HCWOFNDJYNBRBN-UHFFFAOYSA-N 1 0 266.182 3.364 10 0 CGAERO CN1CCO[C@H](C[NH2+][C@@H]2CCCC[C@H]2C2CCCCC2)C1 ZINC000252542100 287841498 /nfs/dbraw/zinc/84/14/98/287841498.db2.gz FOJQMXZOKCZQAR-FGTMMUONSA-N 1 0 294.483 3.046 10 0 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290044643 /nfs/dbraw/zinc/04/46/43/290044643.db2.gz MAWHHEJEIZFXQY-XEZPLFJOSA-N 1 0 294.414 3.093 10 0 CGAERO CCC[C@@H](C(=O)N(CC)Cc1c(F)cccc1F)[NH+](C)C ZINC000161909412 321875585 /nfs/dbraw/zinc/87/55/85/321875585.db2.gz VFNFWZPURSHTNH-HNNXBMFYSA-N 1 0 298.377 3.044 10 0 CGAERO C[C@H](NC(=O)[C@H]1CCC[NH2+]C1)c1ccc(C(C)(C)C)cc1 ZINC000037007404 326833835 /nfs/dbraw/zinc/83/38/35/326833835.db2.gz SLCVATDXKQUCPB-ZFWWWQNUSA-N 1 0 288.435 3.161 10 0 CGAERO C[C@@H]1C[C@@H]([NH3+])c2c1c(F)ccc2C(=O)OC(C)(C)C ZINC000536958933 330383947 /nfs/dbraw/zinc/38/39/47/330383947.db2.gz IECFEFNLCCCWJW-LDYMZIIASA-N 1 0 265.328 3.288 10 0 CGAERO C[C@H]1C[C@H](C(=O)N2CCC([NH+](C)C)CC2)CC(C)(C)C1 ZINC000183240172 335882012 /nfs/dbraw/zinc/88/20/12/335882012.db2.gz QQZZGGHMPPSMNJ-KBPBESRZSA-N 1 0 280.456 3.001 10 0 CGAERO CC(C)C[C@@H]1C[N@@H+]([C@@H]2CCC[C@H](C)C2)CCCN1 ZINC000062624678 519270129 /nfs/dbraw/zinc/27/01/29/519270129.db2.gz XYPJHJJRIQFTSJ-ARFHVFGLSA-N 1 0 252.446 3.275 10 0 CGAERO CC(C)C[NH2+]C[C@H](c1ccccc1)N(C)CC1CC1 ZINC000052483728 519746170 /nfs/dbraw/zinc/74/61/70/519746170.db2.gz JQHGJSQMPVQLEO-QGZVFWFLSA-N 1 0 260.425 3.315 10 0 CGAERO CC(C)OCCOCc1c2ccccc2sc1C[NH3+] ZINC000052627407 519768661 /nfs/dbraw/zinc/76/86/61/519768661.db2.gz VMBNXRBTKUWLIY-UHFFFAOYSA-N 1 0 279.405 3.302 10 0 CGAERO CC(C)C[C@@H](C[NH+](C)C)Nc1ccc(Cl)cc1N ZINC000049555065 519776092 /nfs/dbraw/zinc/77/60/92/519776092.db2.gz BFTHVJMJMZLQLZ-LBPRGKRZSA-N 1 0 269.820 3.310 10 0 CGAERO CCC[NH2+]Cc1sc(N2C[C@H]3CC[C@@H]2C3)nc1CC ZINC000055000154 519974375 /nfs/dbraw/zinc/97/43/75/519974375.db2.gz NFGSVJRKEBAKIO-NWDGAFQWSA-N 1 0 279.453 3.194 10 0 CGAERO CCOCCOCc1cccc(C[NH2+]C(C)(C)C)c1 ZINC000052604101 520002152 /nfs/dbraw/zinc/00/21/52/520002152.db2.gz WUWMAXXARNDFLJ-UHFFFAOYSA-N 1 0 265.397 3.128 10 0 CGAERO CCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCCc2sccc21 ZINC000061362435 520669416 /nfs/dbraw/zinc/66/94/16/520669416.db2.gz VEVIKMBRKOYSLV-WCQYABFASA-N 1 0 280.437 3.020 10 0 CGAERO CC[C@H]([NH3+])[C@@H](N1CCC2(CCCC2)CC1)C(F)(F)F ZINC000062952132 522336861 /nfs/dbraw/zinc/33/68/61/522336861.db2.gz GXFNAGGSLVKDBB-NWDGAFQWSA-N 1 0 278.362 3.311 10 0 CGAERO C[NH2+][C@@H](Cc1c(F)cccc1Cl)C[C@H]1CCCO1 ZINC000049347210 522360596 /nfs/dbraw/zinc/36/05/96/522360596.db2.gz HCLKVKPDHQNUEK-GHMZBOCLSA-N 1 0 271.763 3.179 10 0 CGAERO CCc1nc(N(C)c2ccc(F)cc2)sc1C[NH2+]C ZINC000054999725 522380622 /nfs/dbraw/zinc/38/06/22/522380622.db2.gz GKCZUEURRVTHTB-UHFFFAOYSA-N 1 0 279.384 3.332 10 0 CGAERO CCc1nc(N(CC)CC)sc1C[NH2+]CC(C)C ZINC000054995252 522381452 /nfs/dbraw/zinc/38/14/52/522381452.db2.gz CHPMYMJILXYTHO-UHFFFAOYSA-N 1 0 269.458 3.297 10 0 CGAERO CCc1nc(N(C)c2cccc(C)c2)sc1C[NH3+] ZINC000054999373 522381745 /nfs/dbraw/zinc/38/17/45/522381745.db2.gz MWKPWUNKQDDLDT-UHFFFAOYSA-N 1 0 261.394 3.241 10 0 CGAERO CC(C)(C)[NH2+]Cc1ccccc1OC[C@@H]1CCCO1 ZINC000062729210 518766531 /nfs/dbraw/zinc/76/65/31/518766531.db2.gz SUXFBEFJQYHWBW-AWEZNQCLSA-N 1 0 263.381 3.133 10 0 CGAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(Cl)c1F ZINC000150963875 534396288 /nfs/dbraw/zinc/39/62/88/534396288.db2.gz VETIHEUMHKOPTN-YPMHNXCESA-N 1 0 271.763 3.120 10 0 CGAERO CC(C)C[C@H](C)Oc1ccc(Cl)cc1C(N)=[NH2+] ZINC000052860300 519326615 /nfs/dbraw/zinc/32/66/15/519326615.db2.gz DJLAECGNPFHPAV-VIFPVBQESA-N 1 0 254.761 3.437 10 0 CGAERO CC(C)CCN(C)Cc1csc(C[NH2+]CC(C)C)n1 ZINC000052545765 519651134 /nfs/dbraw/zinc/65/11/34/519651134.db2.gz CEPCWEDXAXSGLJ-UHFFFAOYSA-N 1 0 283.485 3.367 10 0 CGAERO CC(C)[NH2+]C[C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000054664807 519724388 /nfs/dbraw/zinc/72/43/88/519724388.db2.gz VFHDVIMOYWOCQS-HNNXBMFYSA-N 1 0 267.800 3.287 10 0 CGAERO CC(C)[NH2+]C[C@]1(OCCOC(C)C)CCC[C@H](C)C1 ZINC000050504522 519726101 /nfs/dbraw/zinc/72/61/01/519726101.db2.gz HMJIDGXLMSNNDH-HOTGVXAUSA-N 1 0 271.445 3.375 10 0 CGAERO CC(C)[NH2+]Cc1cccc(COCCOC(C)C)c1 ZINC000052627208 519727132 /nfs/dbraw/zinc/72/71/32/519727132.db2.gz IPBPSTVUEIKKRV-UHFFFAOYSA-N 1 0 265.397 3.126 10 0 CGAERO CC(C)OCCOc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000052626746 519768872 /nfs/dbraw/zinc/76/88/72/519768872.db2.gz QODPPNAURBWSCI-UHFFFAOYSA-N 1 0 265.397 3.379 10 0 CGAERO CCCC1CCN([C@H]2CCCCC[C@@H]2[NH2+]C)CC1 ZINC000050893440 519903270 /nfs/dbraw/zinc/90/32/70/519903270.db2.gz MRXQETWLIFGECC-HOTGVXAUSA-N 1 0 252.446 3.419 10 0 CGAERO CCCC1CCN([C@H](C[NH2+]C2CC2)C(C)C)CC1 ZINC000052373770 519903417 /nfs/dbraw/zinc/90/34/17/519903417.db2.gz WIHUZXQCCPNMOF-MRXNPFEDSA-N 1 0 252.446 3.275 10 0 CGAERO CC[NH2+]C(C)(C)c1nc2cccc(Cl)c2n1C ZINC000061149848 519908946 /nfs/dbraw/zinc/90/89/46/519908946.db2.gz LZZYJQMIIWLSGA-UHFFFAOYSA-N 1 0 251.761 3.071 10 0 CGAERO CCCCC1CCC(CCS(C)(=O)=O)(C[NH2+]C)CC1 ZINC000054639363 519919099 /nfs/dbraw/zinc/91/90/99/519919099.db2.gz MKFPXFSLBYXENB-UHFFFAOYSA-N 1 0 289.485 3.007 10 0 CGAERO CCC[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000053012883 519922830 /nfs/dbraw/zinc/92/28/30/519922830.db2.gz QYDNDHJEQGPWEG-LBPRGKRZSA-N 1 0 297.240 3.275 10 0 CGAERO CC[NH2+]C[C@H](C)C(=O)Nc1c2ncsc2ccc1Cl ZINC000061230883 519966003 /nfs/dbraw/zinc/96/60/03/519966003.db2.gz UZMMIMANPSRKTI-QMMMGPOBSA-N 1 0 297.811 3.134 10 0 CGAERO CC[NH2+]C[C@H]1CCN(c2ccc(C)c(Cl)c2)C1 ZINC000053010804 519977651 /nfs/dbraw/zinc/97/76/51/519977651.db2.gz PNYKFSXUIUEPSX-GFCCVEGCSA-N 1 0 252.789 3.084 10 0 CGAERO CCC[NH2+][C@@H](CC)c1cc(OC)c(OC)cc1F ZINC000061561668 519992244 /nfs/dbraw/zinc/99/22/44/519992244.db2.gz ZYYWVRDWXIFKAW-LBPRGKRZSA-N 1 0 255.333 3.294 10 0 CGAERO CC[NH2+]Cc1ccc(-n2nc(C)c(C)c2C)cc1C ZINC000050585240 519994985 /nfs/dbraw/zinc/99/49/85/519994985.db2.gz HAGKPNHKXYOWTD-UHFFFAOYSA-N 1 0 257.381 3.215 10 0 CGAERO CCN(C(=O)c1ccc2c(c1)C[NH2+]C2)c1ccc(F)cc1 ZINC000156750662 520092648 /nfs/dbraw/zinc/09/26/48/520092648.db2.gz HCSASTNZWDCDEU-UHFFFAOYSA-N 1 0 284.334 3.096 10 0 CGAERO CC[NH2+][C@@H](c1cc(OC)c(OC)cc1F)C1CCC1 ZINC000061561422 520110220 /nfs/dbraw/zinc/11/02/20/520110220.db2.gz MHDGKOVPDLKVIK-OAHLLOKOSA-N 1 0 267.344 3.294 10 0 CGAERO CC[NH2+][C@@H]1CCN([C@@H](C)c2ccsc2)[C@H](C)C1 ZINC000061363850 520120490 /nfs/dbraw/zinc/12/04/90/520120490.db2.gz IIWPYDBOPMEHLX-MBNYWOFBSA-N 1 0 252.427 3.272 10 0 CGAERO CCCCCC[C@@H](C[NH2+]C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000052951179 520122371 /nfs/dbraw/zinc/12/23/71/520122371.db2.gz GNRYMDUMOCJCJS-GJZGRUSLSA-N 1 0 289.485 3.006 10 0 CGAERO CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1N(C)CC(C)C ZINC000054554937 520218504 /nfs/dbraw/zinc/21/85/04/520218504.db2.gz YKPKFYMGFZVWIN-PMPSAXMXSA-N 1 0 254.462 3.377 10 0 CGAERO CCCOC[C@@H]([NH2+]CC)c1cccc2cnccc21 ZINC000061124411 520256324 /nfs/dbraw/zinc/25/63/24/520256324.db2.gz PJMQKUYPXOELEX-MRXNPFEDSA-N 1 0 258.365 3.312 10 0 CGAERO CCCCN(CC)Cc1csc(C[NH2+]C(C)C)n1 ZINC000052418642 520479752 /nfs/dbraw/zinc/47/97/52/520479752.db2.gz GJJLHMYWWQIAHV-UHFFFAOYSA-N 1 0 269.458 3.263 10 0 CGAERO CC1(C)C[N@H+](C2CCCC2)[C@@H](c2ccccc2)CN1 ZINC000062626778 520462246 /nfs/dbraw/zinc/46/22/46/520462246.db2.gz ZJLJDPHTKGRDOD-MRXNPFEDSA-N 1 0 258.409 3.354 10 0 CGAERO CC[NH+](CC)CCc1nc(C)c(C(C)C)c(Cl)n1 ZINC000061689108 520710890 /nfs/dbraw/zinc/71/08/90/520710890.db2.gz YZAWETOTAWTSNQ-UHFFFAOYSA-N 1 0 269.820 3.446 10 0 CGAERO CCCCOCCOc1ccc([C@H]([NH3+])CC)cc1 ZINC000049261377 520794116 /nfs/dbraw/zinc/79/41/16/520794116.db2.gz VYGXDLZJSMUSFK-OAHLLOKOSA-N 1 0 251.370 3.292 10 0 CGAERO CCC[C@H](C)[N@H+](C)Cc1nc(NC)ccc1Cl ZINC000061631309 521035397 /nfs/dbraw/zinc/03/53/97/521035397.db2.gz PONRCNJXOYUKJN-JTQLQIEISA-N 1 0 255.793 3.397 10 0 CGAERO CCCC[C@](CC)(CCS(=O)(=O)CC)C[NH2+]C(C)C ZINC000054658018 521252756 /nfs/dbraw/zinc/25/27/56/521252756.db2.gz NLQLIBVIKZOUDJ-OAHLLOKOSA-N 1 0 291.501 3.396 10 0 CGAERO CCOc1ccc([C@H]([NH3+])Cc2csc(C)n2)cc1 ZINC000055294721 521263950 /nfs/dbraw/zinc/26/39/50/521263950.db2.gz JZRFSNYFJKSADR-CQSZACIVSA-N 1 0 262.378 3.093 10 0 CGAERO CCN(Cc1ccccc1)c1ncc([C@@H](C)[NH3+])s1 ZINC000054894894 521376200 /nfs/dbraw/zinc/37/62/00/521376200.db2.gz NBRBVDDGQUBJOJ-LLVKDONJSA-N 1 0 261.394 3.189 10 0 CGAERO CC[N@H+](Cc1nc2sccc2c(N)n1)C1CCCC1 ZINC000050813552 521455990 /nfs/dbraw/zinc/45/59/90/521455990.db2.gz YYGDDYUWIFKLQZ-UHFFFAOYSA-N 1 0 276.409 3.038 10 0 CGAERO COc1c(C)cnc(CC(C)(C)C[NH2+]C(C)C)c1C ZINC000054638209 521808682 /nfs/dbraw/zinc/80/86/82/521808682.db2.gz QLRDMHDQFRECMH-UHFFFAOYSA-N 1 0 264.413 3.274 10 0 CGAERO CCc1ccccc1C[NH2+][C@H](C)CN1CCCCC1 ZINC000052202717 521843894 /nfs/dbraw/zinc/84/38/94/521843894.db2.gz AZDSXDBLMCLQCU-OAHLLOKOSA-N 1 0 260.425 3.213 10 0 CGAERO C[NH2+]C(C)(C)C(=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000061317430 521933734 /nfs/dbraw/zinc/93/37/34/521933734.db2.gz SLSYKMCVCIHDEB-ZDUSSCGKSA-N 1 0 280.799 3.002 10 0 CGAERO C[NH2+]CC1(Cc2ccccc2Br)CCOCC1 ZINC000061674026 521971497 /nfs/dbraw/zinc/97/14/97/521971497.db2.gz ULMJNXSMGMGOQD-UHFFFAOYSA-N 1 0 298.224 3.008 10 0 CGAERO C[NH2+]CCc1c(C)nc(-c2ccc(Cl)cc2)nc1C ZINC000054838041 522018488 /nfs/dbraw/zinc/01/84/88/522018488.db2.gz CCVVRDJFTOEQCU-UHFFFAOYSA-N 1 0 275.783 3.176 10 0 CGAERO CCc1csc([C@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000155954023 522116071 /nfs/dbraw/zinc/11/60/71/522116071.db2.gz VGCNSSWDSMAWML-LBPRGKRZSA-N 1 0 250.411 3.295 10 0 CGAERO C[NH2+]Cc1cnc(Cc2ccc(Cl)cc2Cl)nc1 ZINC000054855409 522146584 /nfs/dbraw/zinc/14/65/84/522146584.db2.gz UVQFVCSFYGXGNY-UHFFFAOYSA-N 1 0 282.174 3.094 10 0 CGAERO C[NH2+][C@@H](C)c1cc(F)ccc1Sc1cc(C)nn1C ZINC000052310229 522329927 /nfs/dbraw/zinc/32/99/27/522329927.db2.gz UGCKKPROOGAXJP-JTQLQIEISA-N 1 0 279.384 3.299 10 0 CGAERO C[NH2+][C@H](Cc1c(F)cccc1Cl)C[C@@H]1CCCO1 ZINC000049347206 522471158 /nfs/dbraw/zinc/47/11/58/522471158.db2.gz HCLKVKPDHQNUEK-QWRGUYRKSA-N 1 0 271.763 3.179 10 0 CGAERO C[NH2+][C@H]1CCCCCC[C@H]1N1CCC(C)(C)CC1 ZINC000061819523 522491230 /nfs/dbraw/zinc/49/12/30/522491230.db2.gz DVLNRGQRTULJMM-LSDHHAIUSA-N 1 0 252.446 3.419 10 0 CGAERO CC[C@@H](C[NH2+]C(C)(C)C)N(C)Cc1ccccc1F ZINC000052541371 522543200 /nfs/dbraw/zinc/54/32/00/522543200.db2.gz ZOIOOLSOAIVJPK-AWEZNQCLSA-N 1 0 266.404 3.424 10 0 CGAERO CC[C@@H]([NH3+])Cc1cnc(-c2ccc(F)c(Cl)c2)nc1 ZINC000062793523 522644997 /nfs/dbraw/zinc/64/49/97/522644997.db2.gz QPKNCZBMBAEPBA-LLVKDONJSA-N 1 0 279.746 3.216 10 0 CGAERO CC[C@@H]([NH3+])[C@@H](c1ccco1)N1CCC(C)(C)CC1 ZINC000061818426 522648875 /nfs/dbraw/zinc/64/88/75/522648875.db2.gz FLOLFGYCEAESSG-OCCSQVGLSA-N 1 0 250.386 3.180 10 0 CGAERO CC[C@@H]([NH2+]Cc1cnc[nH]1)c1ccc(Br)cc1 ZINC000054764486 522868837 /nfs/dbraw/zinc/86/88/37/522868837.db2.gz RXGLSMQTAWCQHO-CYBMUJFWSA-N 1 0 294.196 3.413 10 0 CGAERO CCc1sc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1C ZINC000155463720 523073060 /nfs/dbraw/zinc/07/30/60/523073060.db2.gz FDPNLGICYZQINX-QWHCGFSZSA-N 1 0 294.464 3.077 10 0 CGAERO CN(C[C@@](C)([NH3+])c1ccccc1)c1ccc(F)cc1 ZINC000052883652 523089302 /nfs/dbraw/zinc/08/93/02/523089302.db2.gz QJHGBTFYLLTXFY-MRXNPFEDSA-N 1 0 258.340 3.136 10 0 CGAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCCCS2)c1C ZINC000157996952 523665366 /nfs/dbraw/zinc/66/53/66/523665366.db2.gz XCWJOWJJFAVKSL-FZMZJTMJSA-N 1 0 281.469 3.456 10 0 CGAERO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1nc(C)ccc1O ZINC000103341186 523853559 /nfs/dbraw/zinc/85/35/59/523853559.db2.gz CIYLRQZEMCVZAW-CYBMUJFWSA-N 1 0 286.375 3.263 10 0 CGAERO COc1cccc([C@@H](C[NH3+])Nc2ccccc2C)c1 ZINC000057544470 524095675 /nfs/dbraw/zinc/09/56/75/524095675.db2.gz BEMLUERJJNFDEX-MRXNPFEDSA-N 1 0 256.349 3.116 10 0 CGAERO C[C@@H]1CCC[N@H+](CCCOc2ccccc2N)[C@@H]1C ZINC000050563158 524222344 /nfs/dbraw/zinc/22/23/44/524222344.db2.gz SRBLOMAIQQFPKD-ZIAGYGMSSA-N 1 0 262.397 3.158 10 0 CGAERO C[C@H](C[NH+]1CCCCC1)Nc1c(N)cccc1Cl ZINC000049500924 524334376 /nfs/dbraw/zinc/33/43/76/524334376.db2.gz KEKXKNBXNFWVMZ-LLVKDONJSA-N 1 0 267.804 3.209 10 0 CGAERO Cc1ccc(C[N@H+]2CC(C)(C)NC[C@@H]2C(C)C)cc1 ZINC000062657413 524434801 /nfs/dbraw/zinc/43/48/01/524434801.db2.gz VMJJYPRLJXQGMK-MRXNPFEDSA-N 1 0 260.425 3.203 10 0 CGAERO C[C@@H](CC[NH+](C)C)Nc1ccc(C(F)(F)F)cc1 ZINC000054186887 524478254 /nfs/dbraw/zinc/47/82/54/524478254.db2.gz QCRZLOZIZBBWPJ-JTQLQIEISA-N 1 0 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CC(C)[NH2+]CC[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000381994995 570250595 /nfs/dbraw/zinc/25/05/95/570250595.db2.gz PTOOHNOORCQEPA-CHWSQXEVSA-N 1 0 270.417 3.068 10 0 CGAERO CCCCN(C(=O)OC(C)(C)C)c1ccc(C[NH3+])nc1 ZINC000757133050 617758291 /nfs/dbraw/zinc/75/82/91/617758291.db2.gz FOHZDFBFVNXMDZ-UHFFFAOYSA-N 1 0 279.384 3.082 10 0 CGAERO CCC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc(C[NH3+])nc1 ZINC000757134985 617770624 /nfs/dbraw/zinc/77/06/24/617770624.db2.gz QQTPYMARNLIDLK-LBPRGKRZSA-N 1 0 293.411 3.470 10 0 CGAERO CC1(C)C[C@@H]1c1noc([C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)n1 ZINC000300459914 617791442 /nfs/dbraw/zinc/79/14/42/617791442.db2.gz ZHOWASOVIMOHHT-KKOKHZNYSA-N 1 0 261.369 3.176 10 0 CGAERO [NH3+]C[C@H](SCc1ccc(Cl)o1)C(F)(F)F ZINC000757171221 617832179 /nfs/dbraw/zinc/83/21/79/617832179.db2.gz TVHDQOBHIWTELH-LURJTMIESA-N 1 0 259.680 3.056 10 0 CGAERO C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1[NH3+])c1ccc(Cl)cc1 ZINC000085371633 618056473 /nfs/dbraw/zinc/05/64/73/618056473.db2.gz 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ZINC000164034954 622811483 /nfs/dbraw/zinc/81/14/83/622811483.db2.gz XGXRZSUQCJPDCE-CJNGLKHVSA-N 1 0 279.424 3.013 10 0 CGAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]C[C@@H](O)C1CC1 ZINC000156747237 622841991 /nfs/dbraw/zinc/84/19/91/622841991.db2.gz PRUISWQWEAKWEU-HZPDHXFCSA-N 1 0 259.393 3.061 10 0 CGAERO COC1CC([NH2+][C@@H](C)c2cc(Br)cs2)C1 ZINC000226401378 622967532 /nfs/dbraw/zinc/96/75/32/622967532.db2.gz LJNVOWAOOUSQPS-WFRXLMHJSA-N 1 0 290.226 3.339 10 0 CGAERO CC(C)(C)c1csc(C[NH2+][C@H]2CCCC[C@H]2CO)n1 ZINC000231042910 623295256 /nfs/dbraw/zinc/29/52/56/623295256.db2.gz NZGWGALQFHPCTH-RYUDHWBXSA-N 1 0 282.453 3.081 10 0 CGAERO CN(CCC[NH2+]CCc1ccccc1)C(=O)OC(C)(C)C ZINC000232008319 623354507 /nfs/dbraw/zinc/35/45/07/623354507.db2.gz BIVNQELVEAJFGO-UHFFFAOYSA-N 1 0 292.423 3.076 10 0 CGAERO C[C@](O)(C[N@@H+]1Cc2ccccc2C2(CC2)C1)c1ccccc1 ZINC000186153852 625679512 /nfs/dbraw/zinc/67/95/12/625679512.db2.gz KHDOXVOJRBKHPL-IBGZPJMESA-N 1 0 293.410 3.442 10 0 CGAERO CO[C@@H]1CCC[C@@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000085126200 625795933 /nfs/dbraw/zinc/79/59/33/625795933.db2.gz QKRNIAAISPPZIY-MMVSWEMESA-N 1 0 265.319 3.265 10 0 CGAERO CC(C)Cc1ccc([C@H](C)[NH2+]CCC2OCCO2)cc1 ZINC000125344146 634685212 /nfs/dbraw/zinc/68/52/12/634685212.db2.gz DUWOIZHDFNXNJQ-AWEZNQCLSA-N 1 0 277.408 3.299 10 0 CGAERO Cc1cc(F)ccc1-c1noc([C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000126242835 634935385 /nfs/dbraw/zinc/93/53/85/634935385.db2.gz AJMIBHTVWSRVRR-GXFFZTMASA-N 1 0 275.327 3.027 10 0 CGAERO CC(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CCCS2(=O)=O)cc1 ZINC000126899048 635355827 /nfs/dbraw/zinc/35/58/27/635355827.db2.gz MQFORPKFHCOWMX-CZUORRHYSA-N 1 0 295.448 3.038 10 0 CGAERO CCN(c1ccc(NC(=O)C[C@H]([NH3+])C(C)C)cc1)C(C)C ZINC000136433248 637337439 /nfs/dbraw/zinc/33/74/39/637337439.db2.gz NHFJWYHGGUWBCM-INIZCTEOSA-N 1 0 291.439 3.233 10 0 CGAERO CCN(c1ccc(NC(=O)C[C@@H]([NH3+])C(C)C)cc1)C(C)C ZINC000136433284 637337707 /nfs/dbraw/zinc/33/77/07/637337707.db2.gz NHFJWYHGGUWBCM-MRXNPFEDSA-N 1 0 291.439 3.233 10 0 CGAERO C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1nc2ccccc2s1 ZINC000222703064 637816048 /nfs/dbraw/zinc/81/60/48/637816048.db2.gz QENMPNLWYGJWQQ-NEPJUHHUSA-N 1 0 275.421 3.041 10 0 CGAERO O[C@@H](C[C@H]1CCC[N@@H+]1CCOCC1CC1)c1ccccc1 ZINC000076107395 640177366 /nfs/dbraw/zinc/17/73/66/640177366.db2.gz KDBPUYPPFGDUCS-MSOLQXFVSA-N 1 0 289.419 3.001 10 0 CGAERO CCC1CCC(c2noc(C[C@H]3CCC[NH2+]C3)n2)CC1 ZINC000087933597 640613265 /nfs/dbraw/zinc/61/32/65/640613265.db2.gz OCLNGIDQXIKADG-ROKHWSDSSA-N 1 0 277.412 3.296 10 0 CGAERO O[C@H]1CCC[C@H]1C[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000089160583 640632102 /nfs/dbraw/zinc/63/21/02/640632102.db2.gz IAKRMZVEYDVNOR-QTISTPMNSA-N 1 0 279.811 3.337 10 0 CGAERO Cc1ccccc1Cc1noc([C@H]2CCCC[C@H]2C[NH3+])n1 ZINC000089383528 640643652 /nfs/dbraw/zinc/64/36/52/640643652.db2.gz XETFIJWVQKPJPR-GJZGRUSLSA-N 1 0 285.391 3.201 10 0 CGAERO [NH3+]C[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1F ZINC000089389640 640644342 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346051713 /nfs/dbraw/zinc/05/17/13/346051713.db2.gz HRZAVGWVZCGWPS-GFCCVEGCSA-N 1 0 254.171 3.428 10 0 CGAERO C[NH2+][C@@H]1c2cc(C)cc(Br)c2C[C@@H]1C ZINC000129744116 346051787 /nfs/dbraw/zinc/05/17/87/346051787.db2.gz VTUAZWZWFWHEMS-UFBFGSQYSA-N 1 0 254.171 3.210 10 0 CGAERO [NH3+]C[C@@H]1C[C@H]1c1ccc(Br)cc1Cl ZINC000127342331 346030634 /nfs/dbraw/zinc/03/06/34/346030634.db2.gz ALISARQEVMGWNI-IMTBSYHQSA-N 1 0 260.562 3.165 10 0 CGAERO Cc1cc(C)c(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)cc1C ZINC000128349439 187365161 /nfs/dbraw/zinc/36/51/61/187365161.db2.gz XYHKPFSUGFSIMH-MRXNPFEDSA-N 1 0 283.419 3.335 10 0 CGAERO C[NH2+][C@H](C)c1cc(Br)ccc1SC ZINC000132093742 346070126 /nfs/dbraw/zinc/07/01/26/346070126.db2.gz FMMSLDSXHLTVMZ-SSDOTTSWSA-N 1 0 260.200 3.451 10 0 CGAERO CC(C)Oc1cccc(C[NH2+][C@@H]2CCCCC[C@H]2O)c1 ZINC000135633109 346088553 /nfs/dbraw/zinc/08/85/53/346088553.db2.gz ULODVOVIYQEBKJ-IAGOWNOFSA-N 1 0 277.408 3.257 10 0 CGAERO C[C@H]([C@@H](O)c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000138977660 346098170 /nfs/dbraw/zinc/09/81/70/346098170.db2.gz WCQLQXUVEOZLEI-XHDPSFHLSA-N 1 0 267.800 3.351 10 0 CGAERO C[C@H]([NH3+])COc1ccc(F)cc1[C@H](C)C(F)(F)F ZINC000144451911 346118316 /nfs/dbraw/zinc/11/83/16/346118316.db2.gz COJBGHNFBQIZQN-YUMQZZPRSA-N 1 0 265.250 3.218 10 0 CGAERO [NH3+]C[C@H](CCOCc1ccccc1)c1cccc(F)c1 ZINC000145928548 346121502 /nfs/dbraw/zinc/12/15/02/346121502.db2.gz NNZFTPINGVKXLF-INIZCTEOSA-N 1 0 273.351 3.475 10 0 CGAERO O[C@@H]1C[C@@H](Cc2ccccc2)C[N@H+](Cc2ccccc2)C1 ZINC000147297539 346125931 /nfs/dbraw/zinc/12/59/31/346125931.db2.gz PKBSNRGRYVZYEC-RTBURBONSA-N 1 0 281.399 3.112 10 0 CGAERO C[NH+]1CCN(C2=Cc3ccccc3Nc3ccccc32)CC1 ZINC000149800858 346131793 /nfs/dbraw/zinc/13/17/93/346131793.db2.gz ONYAOTPYKJOPHK-UHFFFAOYSA-N 1 0 291.398 3.489 10 0 CGAERO C[C@H]([NH3+])c1nc2ccccc2cc1Br ZINC000158271613 346163816 /nfs/dbraw/zinc/16/38/16/346163816.db2.gz BGXAECHPTVFXIU-ZETCQYMHSA-N 1 0 251.127 3.017 10 0 CGAERO C[C@H]1CCS[C@@]2(CCC[N@H+](Cc3ccccc3)C2)N1 ZINC000159151256 346167105 /nfs/dbraw/zinc/16/71/05/346167105.db2.gz LTQKCACAWLVDQH-GOEBONIOSA-N 1 0 276.449 3.094 10 0 CGAERO Cc1cccc2c(N[C@@H]3C[N@H+](C(C)C)C[C@@H]3C)ncnc12 ZINC000177952684 232378452 /nfs/dbraw/zinc/37/84/52/232378452.db2.gz UDMNNGORRPYLEE-DZGCQCFKSA-N 1 0 284.407 3.079 10 0 CGAERO CC(C)c1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccncc2)cc1 ZINC000171051618 346201926 /nfs/dbraw/zinc/20/19/26/346201926.db2.gz LAIGRMPLRXCFBE-CQSZACIVSA-N 1 0 297.402 3.494 10 0 CGAERO Cc1ccc([C@H]2[NH2+][C@H](C)CS2)cc1Br ZINC000164813410 346183125 /nfs/dbraw/zinc/18/31/25/346183125.db2.gz OBEBWEARSCZRTB-KCJUWKMLSA-N 1 0 272.211 3.481 10 0 CGAERO CCN(CC)C(=O)N(C1CC[NH2+]CC1)C1CCCCCC1 ZINC000165875731 346185477 /nfs/dbraw/zinc/18/54/77/346185477.db2.gz FMEGGFSESGKFSW-UHFFFAOYSA-N 1 0 295.471 3.225 10 0 CGAERO C[NH2+][C@H](c1ccccc1I)C(C)C ZINC000168722280 346191025 /nfs/dbraw/zinc/19/10/25/346191025.db2.gz LOWVFBJTNVKLMB-NSHDSACASA-N 1 0 289.160 3.208 10 0 CGAERO C[C@@H]([NH2+]C1CC(CO)C1)c1ccc(F)cc1C(F)(F)F ZINC000624016688 349948171 /nfs/dbraw/zinc/94/81/71/349948171.db2.gz BEGZGZKMBPDKIZ-FKTRJACZSA-N 1 0 291.288 3.266 10 0 CGAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[NH2+][C@@H]1c1ccccc1 ZINC000219237886 346294350 /nfs/dbraw/zinc/29/43/50/346294350.db2.gz DDEOZOPWFGVBFQ-LSDHHAIUSA-N 1 0 290.407 3.252 10 0 CGAERO CCCc1c(C(F)(F)F)nc2n1[C@@H](C)CN[C@@H]2C ZINC000221252499 346297367 /nfs/dbraw/zinc/29/73/67/346297367.db2.gz QFQTZKVKLPIWSE-JGVFFNPUSA-N 1 0 261.291 3.080 10 0 CGAERO C[C@@H]1CC[C@]2(C[NH+]=C(N)N2Cc2ccccc2)[C@@H](C)C1 ZINC000223673461 346300360 /nfs/dbraw/zinc/30/03/60/346300360.db2.gz HNAKDSIUBVKOFY-KEYYUXOJSA-N 1 0 271.408 3.012 10 0 CGAERO C[C@@H]1[C@H]([NH3+])CC[C@@H]1c1cscc1Br ZINC000225015084 346302631 /nfs/dbraw/zinc/30/26/31/346302631.db2.gz MCMXAPJPJVPKQG-MHYGZLNHSA-N 1 0 260.200 3.351 10 0 CGAERO CC1(C)C[C@@H]1[C@@H]([NH3+])Cc1sccc1Br ZINC000232811225 346327978 /nfs/dbraw/zinc/32/79/78/346327978.db2.gz HTGALLAXEBCVHN-APPZFPTMSA-N 1 0 274.227 3.427 10 0 CGAERO C[NH2+][C@@H]1CCc2c1c(Br)ccc2Cl ZINC000234479792 346331509 /nfs/dbraw/zinc/33/15/09/346331509.db2.gz CIGYEWUHGWTCFU-SECBINFHSA-N 1 0 260.562 3.309 10 0 CGAERO c1ccc2c(C[NH2+]CC[C@H]3CCCCO3)ccnc2c1 ZINC000227340410 346309312 /nfs/dbraw/zinc/30/93/12/346309312.db2.gz ZUTCSOXARBPRGK-OAHLLOKOSA-N 1 0 270.376 3.284 10 0 CGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000231674391 346323140 /nfs/dbraw/zinc/32/31/40/346323140.db2.gz PONBRNQYMVASOO-LALPHHSUSA-N 1 0 275.392 3.297 10 0 CGAERO C[C@@H]([NH3+])/C=C/c1ccc(Br)cc1Cl ZINC000231751154 346323577 /nfs/dbraw/zinc/32/35/77/346323577.db2.gz FZEQMXRYEMRPLO-TYWZFMJISA-N 1 0 260.562 3.463 10 0 CGAERO CCSc1ccc(C[NH3+])c(Br)c1F ZINC000231864504 346324128 /nfs/dbraw/zinc/32/41/28/346324128.db2.gz ZROVFHHVWZWERS-UHFFFAOYSA-N 1 0 264.163 3.159 10 0 CGAERO CC1(C)CO[C@H](c2ccccc2)C[N@@H+]1C[C@H]1CCCCO1 ZINC000245403066 346353689 /nfs/dbraw/zinc/35/36/89/346353689.db2.gz KJGCCYHIVCQLFT-SJORKVTESA-N 1 0 289.419 3.408 10 0 CGAERO C[C@H]([NH3+])/C=C/c1cc(Br)ccc1Cl ZINC000235481501 346335889 /nfs/dbraw/zinc/33/58/89/346335889.db2.gz FXHJGJODKKNBLM-AIYRYJHASA-N 1 0 260.562 3.463 10 0 CGAERO [NH3+][C@@H](c1cccs1)c1ccoc1Br ZINC000236317453 346340075 /nfs/dbraw/zinc/34/00/75/346340075.db2.gz ZHYOLJAGZHXLAN-MRVPVSSYSA-N 1 0 258.140 3.152 10 0 CGAERO CC(C)CC[C@H](C)[NH2+]C[C@@H](O)CO[C@H](C)CC(C)C ZINC000248248585 346374779 /nfs/dbraw/zinc/37/47/79/346374779.db2.gz HZXRAVHYQJGPSU-ARFHVFGLSA-N 1 0 273.461 3.213 10 0 CGAERO COc1cccc2c(CCC[NH2+]C(C)C)cn(C)c21 ZINC000098160132 185694827 /nfs/dbraw/zinc/69/48/27/185694827.db2.gz NLDVWGGKHPKFNU-UHFFFAOYSA-N 1 0 260.381 3.118 10 0 CGAERO C[C@@H]1C[NH2+]CC[C@@H]1c1csc(Br)c1 ZINC000306310145 346453437 /nfs/dbraw/zinc/45/34/37/346453437.db2.gz ZLQQWRNIMMWGCM-APPZFPTMSA-N 1 0 260.200 3.224 10 0 CGAERO CC1(C)[C@@H](C[NH3+])[C@@H]1c1csc(Br)c1 ZINC000306759490 346457268 /nfs/dbraw/zinc/45/72/68/346457268.db2.gz VNVMYFARRASICD-CBAPKCEASA-N 1 0 260.200 3.209 10 0 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256.349 3.444 10 0 CGAERO CC(C)[N@@H+]1CCC[C@H](c2ccccc2CCO)CC1 ZINC000616630215 348852578 /nfs/dbraw/zinc/85/25/78/348852578.db2.gz YVSMETMGPLRQAJ-HNNXBMFYSA-N 1 0 261.409 3.199 10 0 CGAERO CC[N@@H+]1CCCO[C@H](c2cnc3ccccc3c2)C1 ZINC000616648842 348855397 /nfs/dbraw/zinc/85/53/97/348855397.db2.gz FCBPNRLCFJRUSQ-INIZCTEOSA-N 1 0 256.349 3.018 10 0 CGAERO CC(C)[N@@H+]1CCCOC[C@@H]1c1cc2ccccc2cn1 ZINC000616647308 348855615 /nfs/dbraw/zinc/85/56/15/348855615.db2.gz XOYZPWZZENHCPP-QGZVFWFLSA-N 1 0 270.376 3.407 10 0 CGAERO OCc1ccccc1[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000616651642 348856588 /nfs/dbraw/zinc/85/65/88/348856588.db2.gz PREKCTNNJOELQN-LJQANCHMSA-N 1 0 297.398 3.143 10 0 CGAERO Nc1ccccc1[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000616652039 348856694 /nfs/dbraw/zinc/85/66/94/348856694.db2.gz HXSVJSMRYHQLTL-SFHVURJKSA-N 1 0 282.387 3.232 10 0 CGAERO c1c[nH]c([C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000616650449 348857178 /nfs/dbraw/zinc/85/71/78/348857178.db2.gz DHTPCBKUKSJGKP-OAHLLOKOSA-N 1 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KEGIQWMLARYINE-VXGBXAGGSA-N 1 0 287.762 3.015 10 0 CGAERO COCCCS[C@@H](c1ccccc1Cl)[C@@H](C)[NH3+] ZINC000104448051 186005971 /nfs/dbraw/zinc/00/59/71/186005971.db2.gz VAMJYYCGABYPEA-ZWNOBZJWSA-N 1 0 273.829 3.498 10 0 CGAERO C[C@@H]([NH3+])c1nc2ccc(F)cc2n1-c1ccccc1 ZINC000091692144 180228026 /nfs/dbraw/zinc/22/80/26/180228026.db2.gz ZCYZWMVUEKKWKJ-SNVBAGLBSA-N 1 0 255.296 3.184 10 0 CGAERO COc1cc(C)c(OCCC[NH3+])cc1C(C)(C)C ZINC000107295253 186168431 /nfs/dbraw/zinc/16/84/31/186168431.db2.gz JAPFMNOWQMYKJD-UHFFFAOYSA-N 1 0 251.370 3.029 10 0 CGAERO C[C@H](c1ccccc1Br)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839500 351150832 /nfs/dbraw/zinc/15/08/32/351150832.db2.gz HDBRKOKEPPYFHO-UTUOFQBUSA-N 1 0 297.240 3.037 10 0 CGAERO Cc1cnn([C@@H]2CCC[N@H+](C[C@H]3CC=CCC3)C2)c1 ZINC000122984453 187063688 /nfs/dbraw/zinc/06/36/88/187063688.db2.gz KIBUUVAUQDVNPC-JKSUJKDBSA-N 1 0 259.397 3.185 10 0 CGAERO CSc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2O)cc1 ZINC000135666622 187845983 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138391036 /nfs/dbraw/zinc/39/10/36/138391036.db2.gz AZXGQXIOQFENLT-HZPDHXFCSA-N 1 0 279.428 3.019 10 0 CGAERO Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(C[NH3+])cc2)o1 ZINC000262265843 138560960 /nfs/dbraw/zinc/56/09/60/138560960.db2.gz FVJNXWDZBPMAOH-HNNXBMFYSA-N 1 0 284.359 3.024 10 0 CGAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@H]2CCC(C)(C)O2)c1C ZINC000427979511 236355408 /nfs/dbraw/zinc/35/54/08/236355408.db2.gz ILZFTZPZHHJURN-SMDDNHRTSA-N 1 0 279.428 3.128 10 0 CGAERO C[C@H](COCc1ccccc1)[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000297689300 200262159 /nfs/dbraw/zinc/26/21/59/200262159.db2.gz LVEXVKORJQENCF-IJEWVQPXSA-N 1 0 285.391 3.084 10 0 CGAERO C[C@@H]([NH3+])CC(=O)N[C@@H](CC1CCCCC1)C(C)(C)C ZINC000261754058 296016571 /nfs/dbraw/zinc/01/65/71/296016571.db2.gz HLGBABUDQUEPRL-OCCSQVGLSA-N 1 0 268.445 3.225 10 0 CGAERO CCn1cc([C@H](C)[NH2+][C@H](C)COCc2ccccc2)cn1 ZINC000178065078 189088637 /nfs/dbraw/zinc/08/86/37/189088637.db2.gz OWSNVISOCRQBPC-CABCVRRESA-N 1 0 287.407 3.159 10 0 CGAERO CCn1c(C)nnc1C[NH2+][C@@H](c1ccccc1C)C(C)C ZINC000183203571 189349560 /nfs/dbraw/zinc/34/95/60/189349560.db2.gz QHOPBDRXKVVXMP-QGZVFWFLSA-N 1 0 286.423 3.402 10 0 CGAERO CCc1cc(N[C@@H](C)C[N@H+](C)Cc2ccccc2)nc(C)n1 ZINC000302094414 201339355 /nfs/dbraw/zinc/33/93/55/201339355.db2.gz NMAVQNLZZWZMIR-AWEZNQCLSA-N 1 0 298.434 3.280 10 0 CGAERO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000120543668 370778681 /nfs/dbraw/zinc/77/86/81/370778681.db2.gz DWEDVFUEIBKXCW-XUWVNRHRSA-N 1 0 288.435 3.434 10 0 CGAERO Fc1ccc(CN2CCCC[C@H]2c2cn[nH]c2)c(F)c1 ZINC000120598780 370784539 /nfs/dbraw/zinc/78/45/39/370784539.db2.gz DNLNELUVNDLYRN-HNNXBMFYSA-N 1 0 277.318 3.415 10 0 CGAERO Cc1ccc2cc(C[NH2+]C[C@@H](O)C(C)(C)C)ccc2n1 ZINC000275549716 193072986 /nfs/dbraw/zinc/07/29/86/193072986.db2.gz BNSBMCZMDWNMQY-MRXNPFEDSA-N 1 0 272.392 3.040 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1cccs1 ZINC000247267166 299380320 /nfs/dbraw/zinc/38/03/20/299380320.db2.gz ZPQNYMVJMNTAQC-RVMXOQNASA-N 1 0 251.395 3.356 10 0 CGAERO C[C@@H]([NH2+]CC(C)(C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400448340 296116341 /nfs/dbraw/zinc/11/63/41/296116341.db2.gz QFLHKYOCNXLICU-CHWSQXEVSA-N 1 0 284.444 3.268 10 0 CGAERO CCC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)[NH2+]2 ZINC000013756665 368665629 /nfs/dbraw/zinc/66/56/29/368665629.db2.gz BUPHBAAVPSQWDR-HWMZRRJGSA-N 1 0 257.377 3.198 10 0 CGAERO COc1cc2c(cc1OC)CC([NH+]1CCCCCC1)C2 ZINC000013471406 368654984 /nfs/dbraw/zinc/65/49/84/368654984.db2.gz UJLANTWMBLBARQ-UHFFFAOYSA-N 1 0 275.392 3.047 10 0 CGAERO CCc1ccc([C@@H]2CCCC[N@@H+]2CCn2cccn2)o1 ZINC000124898379 370929520 /nfs/dbraw/zinc/92/95/20/370929520.db2.gz JSCYTIBPBYURSE-HNNXBMFYSA-N 1 0 273.380 3.266 10 0 CGAERO COc1ccccc1CN[C@H]1CCC[NH2+][C@@H]1c1ccccc1 ZINC000022933032 368813693 /nfs/dbraw/zinc/81/36/93/368813693.db2.gz DTQNEFOKTXXQKV-PKOBYXMFSA-N 1 0 296.414 3.278 10 0 CGAERO CC[C@H](C)Sc1cc(OC)c(CC[NH3+])cc1OC ZINC000027216754 368869392 /nfs/dbraw/zinc/86/93/92/368869392.db2.gz KSZHVRPGICAZOA-JTQLQIEISA-N 1 0 269.410 3.096 10 0 CGAERO CNc1ccc(Cl)c(C[N@H+](C)CC2CCC2)n1 ZINC000061639156 522620248 /nfs/dbraw/zinc/62/02/48/522620248.db2.gz VDOCLKQOASHPJC-UHFFFAOYSA-N 1 0 253.777 3.009 10 0 CGAERO Cc1cc([C@H]([NH3+])c2ccc3c(c2)OCO3)c(C)s1 ZINC000034940808 368981722 /nfs/dbraw/zinc/98/17/22/368981722.db2.gz LVQFOUGACCILKB-CQSZACIVSA-N 1 0 261.346 3.142 10 0 CGAERO CSc1ccc([C@H](C[NH3+])N2CCc3ccccc32)cc1 ZINC000034958886 368982255 /nfs/dbraw/zinc/98/22/55/368982255.db2.gz QNHDCJYQEPFCQZ-KRWDZBQOSA-N 1 0 284.428 3.471 10 0 CGAERO CCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000035018783 368991212 /nfs/dbraw/zinc/99/12/12/368991212.db2.gz XYHNYQLUJUIBCS-UONOGXRCSA-N 1 0 276.424 3.375 10 0 CGAERO CC[N@@H+]1CCC[C@H](NCc2c(F)cccc2Cl)C1 ZINC000040502351 369157909 /nfs/dbraw/zinc/15/79/09/369157909.db2.gz NMVMOSSUCXXSQY-NSHDSACASA-N 1 0 270.779 3.053 10 0 CGAERO CC[N@@H+]1CCC[C@@H](Nc2ncnc3sc(C)c(C)c32)C1 ZINC000040503274 369159521 /nfs/dbraw/zinc/15/95/21/369159521.db2.gz CMHIALTYFFEVFG-GFCCVEGCSA-N 1 0 290.436 3.204 10 0 CGAERO CC[N@@H+]1CCC[C@H](Nc2ncc(Cl)cc2Cl)C1 ZINC000040503245 369159605 /nfs/dbraw/zinc/15/96/05/369159605.db2.gz AJNIMHVIMVIOOJ-JTQLQIEISA-N 1 0 274.195 3.285 10 0 CGAERO COc1ccccc1C1CC([NH2+]Cc2csc(C)n2)C1 ZINC000041010542 369167384 /nfs/dbraw/zinc/16/73/84/369167384.db2.gz UTWGRZSVTCRXKN-UHFFFAOYSA-N 1 0 288.416 3.496 10 0 CGAERO CCCc1nc(CN(C)C[C@@H]2CCC[N@@H+]2CC)cs1 ZINC000175333073 284122324 /nfs/dbraw/zinc/12/23/24/284122324.db2.gz KETNPCBRZUTEGX-AWEZNQCLSA-N 1 0 281.469 3.012 10 0 CGAERO CC(C)[NH2+]Cc1c[nH]nc1-c1cc2ccccc2o1 ZINC000049067849 369386219 /nfs/dbraw/zinc/38/62/19/369386219.db2.gz KPGDGSSRKCMDNG-UHFFFAOYSA-N 1 0 255.321 3.321 10 0 CGAERO CC[C@H](NC(=O)CC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000051628344 369450535 /nfs/dbraw/zinc/45/05/35/369450535.db2.gz HUPLSESVAGVWDP-HOCLYGCPSA-N 1 0 274.408 3.034 10 0 CGAERO c1ccc2sc(OCC[C@H]3CCC[NH2+]C3)nc2c1 ZINC000051918652 369456766 /nfs/dbraw/zinc/45/67/66/369456766.db2.gz ZFDPHSNZJBNGDT-LLVKDONJSA-N 1 0 262.378 3.065 10 0 CGAERO C[C@H]1[NH2+]CCc2ccc(OCc3ccccc3)cc21 ZINC000052095403 369464621 /nfs/dbraw/zinc/46/46/21/369464621.db2.gz OGCXEUSPCWTAFN-CYBMUJFWSA-N 1 0 253.345 3.472 10 0 CGAERO CC(C)c1nc(C[N@@H+]2CCC[C@@H]2CCCO)cs1 ZINC000052762535 369470342 /nfs/dbraw/zinc/47/03/42/369470342.db2.gz TZAQJJCCCDSSRQ-CYBMUJFWSA-N 1 0 268.426 3.003 10 0 CGAERO OCCC[C@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)on1 ZINC000052761991 369470778 /nfs/dbraw/zinc/47/07/78/369470778.db2.gz ZNHWSFNESYFZHX-MRXNPFEDSA-N 1 0 286.375 3.079 10 0 CGAERO OCCC[C@@H]1CCC[N@@H+]1Cc1cc(-c2cccs2)on1 ZINC000052763038 369471898 /nfs/dbraw/zinc/47/18/98/369471898.db2.gz CLLRLLDXIAGJHH-ZDUSSCGKSA-N 1 0 292.404 3.140 10 0 CGAERO Cc1cc(C)cc(OCCC[N@@H+]2CCC[C@@H]2CCCO)c1 ZINC000052762829 369472066 /nfs/dbraw/zinc/47/20/66/369472066.db2.gz MBRIUWBYLFRVQC-QGZVFWFLSA-N 1 0 291.435 3.309 10 0 CGAERO Cc1ccc(F)cc1C[NH2+][C@@H]1COc2ccccc21 ZINC000129067242 370973527 /nfs/dbraw/zinc/97/35/27/370973527.db2.gz MSOXTNIPUPDTDF-OAHLLOKOSA-N 1 0 257.308 3.357 10 0 CGAERO Cn1nc(C[NH2+]CCC2=CCCCC2)c(-c2ccccc2)n1 ZINC000057353224 369536473 /nfs/dbraw/zinc/53/64/73/369536473.db2.gz ZZJAMKQKMAAEFI-UHFFFAOYSA-N 1 0 296.418 3.462 10 0 CGAERO CCc1cccc(CC)c1NC(=O)C[NH2+][C@@H](C)C(C)C ZINC000057848089 369547760 /nfs/dbraw/zinc/54/77/60/369547760.db2.gz HTIBXBCKUOXWOP-ZDUSSCGKSA-N 1 0 276.424 3.384 10 0 CGAERO CC(C)c1ccc(-c2cc(N3CCC[C@@H]([NH3+])C3)n[nH]2)cc1 ZINC000070460143 369801146 /nfs/dbraw/zinc/80/11/46/369801146.db2.gz GEJJBPDUISJUQY-OAHLLOKOSA-N 1 0 284.407 3.128 10 0 CGAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000073716796 369864217 /nfs/dbraw/zinc/86/42/17/369864217.db2.gz VXZMHWRQJSKXQV-GHMZBOCLSA-N 1 0 298.377 3.309 10 0 CGAERO [NH3+]CC1(c2ccc(Br)cc2Cl)CC1 ZINC000084623565 370013646 /nfs/dbraw/zinc/01/36/46/370013646.db2.gz MVHGKZPISMBYQA-UHFFFAOYSA-N 1 0 260.562 3.093 10 0 CGAERO CCn1cc(C2CC[NH+](Cc3ccccc3OC)CC2)cn1 ZINC000092809338 370101648 /nfs/dbraw/zinc/10/16/48/370101648.db2.gz YMAYOQNAAALMGW-UHFFFAOYSA-N 1 0 299.418 3.291 10 0 CGAERO Fc1ccc(/C=C/C[NH+]2CCC(c3cc[nH]n3)CC2)cc1 ZINC000092810900 370103746 /nfs/dbraw/zinc/10/37/46/370103746.db2.gz LYVMYHSIMCSGBV-OWOJBTEDSA-N 1 0 285.366 3.442 10 0 CGAERO Clc1ccccc1C[C@@H]1COCC[C@@H]1[NH2+]C1CC1 ZINC000095073928 370169287 /nfs/dbraw/zinc/16/92/87/370169287.db2.gz WFAJWMWEAZFCMD-DOMZBBRYSA-N 1 0 265.784 3.040 10 0 CGAERO Clc1ncc(COCCC[C@@H]2CCCC[NH2+]2)s1 ZINC000095070233 370169510 /nfs/dbraw/zinc/16/95/10/370169510.db2.gz BNMJLYKZFWZOHB-JTQLQIEISA-N 1 0 274.817 3.235 10 0 CGAERO Brc1cccc(OCCC[C@@H]2CCCC[NH2+]2)n1 ZINC000095092357 370173365 /nfs/dbraw/zinc/17/33/65/370173365.db2.gz VTXFCYIFRBCJQJ-NSHDSACASA-N 1 0 299.212 3.145 10 0 CGAERO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccco1 ZINC000095089242 370173694 /nfs/dbraw/zinc/17/36/94/370173694.db2.gz YNWPLVULIIGCRJ-OLZOCXBDSA-N 1 0 294.395 3.187 10 0 CGAERO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cncs2)C12CCCC2 ZINC000093610980 370148827 /nfs/dbraw/zinc/14/88/27/370148827.db2.gz OGAGAJLIDXNYKO-ZIAGYGMSSA-N 1 0 280.437 3.313 10 0 CGAERO COc1c(C[NH2+]CC[C@H]2CCC[C@H](C)C2)c(C)nn1C ZINC000115629001 370537786 /nfs/dbraw/zinc/53/77/86/370537786.db2.gz GRAKHOLWQHOCSI-GXTWGEPZSA-N 1 0 279.428 3.043 10 0 CGAERO C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116297369 370554720 /nfs/dbraw/zinc/55/47/20/370554720.db2.gz WOGHGAUNQSKETQ-LSDHHAIUSA-N 1 0 290.407 3.064 10 0 CGAERO CCCn1cc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2)cn1 ZINC000116911971 370575097 /nfs/dbraw/zinc/57/50/97/370575097.db2.gz BOWYLTZDQDBYFA-NSHDSACASA-N 1 0 279.334 3.422 10 0 CGAERO CC[C@@H](O)C[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000131509365 371111907 /nfs/dbraw/zinc/11/19/07/371111907.db2.gz LCGHXJFNYCUWQY-QWHCGFSZSA-N 1 0 282.453 3.217 10 0 CGAERO C[C@H]1OCC[C@@H]1[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000134238331 371315010 /nfs/dbraw/zinc/31/50/10/371315010.db2.gz JXNVOESRVHSIMK-YGRLFVJLSA-N 1 0 292.379 3.216 10 0 CGAERO C[C@@H]1C[C@H]([NH2+]CC2(CO)CCCC2)CC(C)(C)C1 ZINC000135074877 371389084 /nfs/dbraw/zinc/38/90/84/371389084.db2.gz NMAMFQNULRPFPO-KGLIPLIRSA-N 1 0 253.430 3.344 10 0 CGAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCCn1cccn1 ZINC000135100688 371390294 /nfs/dbraw/zinc/39/02/94/371390294.db2.gz SCZJNVGXEHWLSU-HUUCEWRRSA-N 1 0 263.429 3.468 10 0 CGAERO CC1CC[NH+](CCN2CCC[C@@H]2c2ccco2)CC1 ZINC000153953109 371804039 /nfs/dbraw/zinc/80/40/39/371804039.db2.gz QUQNWMPBBXHTOB-OAHLLOKOSA-N 1 0 262.397 3.148 10 0 CGAERO Cc1ccc(C2CC([NH2+][C@@H]3CCC[C@@H](O)C3)C2)cc1 ZINC000037166168 541862205 /nfs/dbraw/zinc/86/22/05/541862205.db2.gz BBSTUZKBZDVZCK-MNAZLIDISA-N 1 0 259.393 3.134 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1cccc(OC(F)F)c1 ZINC000037163943 541862731 /nfs/dbraw/zinc/86/27/31/541862731.db2.gz HISIQUVANZTDOO-UHTWSYAYSA-N 1 0 285.334 3.242 10 0 CGAERO CCC[C@H](C)[C@@H](CC)[NH2+]C1CCN(c2ncccn2)CC1 ZINC000155915368 371951881 /nfs/dbraw/zinc/95/18/81/371951881.db2.gz PXSJLABTBMWJGG-GOEBONIOSA-N 1 0 290.455 3.250 10 0 CGAERO F[C@]1(c2cscc2Br)CCC[NH2+]C1 ZINC000158091882 372051168 /nfs/dbraw/zinc/05/11/68/372051168.db2.gz HSFHMGIBAAQQPD-SECBINFHSA-N 1 0 264.163 3.059 10 0 CGAERO C[C@@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1ccc(F)cc1 ZINC000159856351 372187458 /nfs/dbraw/zinc/18/74/58/372187458.db2.gz VUNVCYXUSCPOIE-KCPJHIHWSA-N 1 0 251.345 3.170 10 0 CGAERO C[C@H](N[C@@H](C[NH+](C)C)c1ccccc1)c1cscn1 ZINC000162335753 372387967 /nfs/dbraw/zinc/38/79/67/372387967.db2.gz DHTPCLBNDNMCNP-JSGCOSHPSA-N 1 0 275.421 3.097 10 0 CGAERO CCC[C@H](C(=O)N[C@H](C)CCC(C)(C)C)[NH+](C)C ZINC000161964285 372364504 /nfs/dbraw/zinc/36/45/04/372364504.db2.gz NHRNHHODEQBLBV-CHWSQXEVSA-N 1 0 256.434 3.048 10 0 CGAERO Cc1csc(C2CCN(CCC[NH+]3CCCC3)CC2)n1 ZINC000162915987 372433099 /nfs/dbraw/zinc/43/30/99/372433099.db2.gz IMQPCUYEMQWZST-UHFFFAOYSA-N 1 0 293.480 3.117 10 0 CGAERO CCC[C@@H]([NH2+][C@H]1CCCn2ncnc21)C1CCCCC1 ZINC000164739875 372532075 /nfs/dbraw/zinc/53/20/75/372532075.db2.gz AVUOUPWYJGMGMQ-CABCVRRESA-N 1 0 276.428 3.452 10 0 CGAERO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1cccc(F)c1 ZINC000166442334 372575011 /nfs/dbraw/zinc/57/50/11/372575011.db2.gz SBBCFWBOEOVIPN-CQDKDKBSSA-N 1 0 251.345 3.434 10 0 CGAERO CCC[NH2+][C@@H]1CCN2CCc3c4ccccc4[nH]c3[C@@H]2C1 ZINC000169321557 372629069 /nfs/dbraw/zinc/62/90/69/372629069.db2.gz CIUMMKUGKGCFRC-DYVFJYSZSA-N 1 0 283.419 3.229 10 0 CGAERO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000167893388 372603893 /nfs/dbraw/zinc/60/38/93/372603893.db2.gz YCZPVFQAMBVEMA-MJBXVCDLSA-N 1 0 290.455 3.480 10 0 CGAERO CC1(C)CO[C@H](c2ccccc2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000171091264 372710919 /nfs/dbraw/zinc/71/09/19/372710919.db2.gz IDUVGCKFOCIBGZ-HOTGVXAUSA-N 1 0 275.392 3.018 10 0 CGAERO Cc1cc(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)c(C)s1 ZINC000172056738 372893681 /nfs/dbraw/zinc/89/36/81/372893681.db2.gz NQMQYKYYAISVDB-ZDUSSCGKSA-N 1 0 275.421 3.088 10 0 CGAERO 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C[C@H](CC[NH2+][C@H](C)c1ccccn1)NC(=O)OC(C)(C)C ZINC000180517087 298441270 /nfs/dbraw/zinc/44/12/70/298441270.db2.gz XEFCHZAMDNTFSP-CHWSQXEVSA-N 1 0 293.411 3.036 10 0 CGAERO C[C@@H]([NH2+]CC1(C)CCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400323547 287017006 /nfs/dbraw/zinc/01/70/06/287017006.db2.gz CPLMGNVTBJFPEJ-KGLIPLIRSA-N 1 0 296.455 3.412 10 0 CGAERO C[C@@H](N[C@@H](C)c1cccc(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000400344251 287051438 /nfs/dbraw/zinc/05/14/38/287051438.db2.gz JVMUQVUQWVMFFS-WDMOLILDSA-N 1 0 252.789 3.131 10 0 CGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)[C@H](C)c1ccccc1 ZINC000079253522 287055054 /nfs/dbraw/zinc/05/50/54/287055054.db2.gz YMGOIXFFYFRKHB-LSDHHAIUSA-N 1 0 291.439 3.119 10 0 CGAERO C[C@H]([NH2+]Cc1cc[nH]c1)c1cccc(-n2ccnc2)c1 ZINC000086255488 287082617 /nfs/dbraw/zinc/08/26/17/287082617.db2.gz YRJMZORMVPFKDR-ZDUSSCGKSA-N 1 0 266.348 3.051 10 0 CGAERO CC(C)CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000073716785 165077838 /nfs/dbraw/zinc/07/78/38/165077838.db2.gz KYMDHUMHRQAGBO-VXGBXAGGSA-N 1 0 298.377 3.166 10 0 CGAERO CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH2+][C@H](C)C(C)C ZINC000078282828 165129437 /nfs/dbraw/zinc/12/94/37/165129437.db2.gz BNFYQSRSKTYMBI-HUUCEWRRSA-N 1 0 276.424 3.058 10 0 CGAERO CCC(CC)(C[NH3+])C(=O)N1CCC[C@H](C(C)(C)C)CC1 ZINC000079308136 165143785 /nfs/dbraw/zinc/14/37/85/165143785.db2.gz CLILCEMYQMODDA-AWEZNQCLSA-N 1 0 282.472 3.426 10 0 CGAERO O[C@H]1CCC[C@H]1C[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000089163220 165199746 /nfs/dbraw/zinc/19/97/46/165199746.db2.gz NBGILFLQEJZGSA-QTISTPMNSA-N 1 0 279.811 3.337 10 0 CGAERO CCn1nc(C)c([C@H](C)[NH2+]CC2(C3CC3)CC2)c1C ZINC000090772669 165243518 /nfs/dbraw/zinc/24/35/18/165243518.db2.gz DLLZJJFHTHELJY-NSHDSACASA-N 1 0 261.413 3.361 10 0 CGAERO CCn1cccc1C[NH2+][C@@H]1CCOc2ccccc21 ZINC000091024538 165251666 /nfs/dbraw/zinc/25/16/66/165251666.db2.gz VOOYVPLEDNUOOQ-OAHLLOKOSA-N 1 0 256.349 3.121 10 0 CGAERO CCn1cccc1C[NH2+]Cc1ccccc1OC(F)F ZINC000091022910 165252419 /nfs/dbraw/zinc/25/24/19/165252419.db2.gz KEIVMPUHNJHHHU-UHFFFAOYSA-N 1 0 280.318 3.399 10 0 CGAERO COc1ccc([C@H]([NH2+]C[C@@H](C)SC)C2CC2)cc1 ZINC000091403099 165259831 /nfs/dbraw/zinc/25/98/31/165259831.db2.gz QXFNAGPAZXILBK-IAQYHMDHSA-N 1 0 265.422 3.487 10 0 CGAERO C[C@@H]([NH2+]CC1CC(O)C1)c1cc(Cl)ccc1Cl ZINC000091525230 287108256 /nfs/dbraw/zinc/10/82/56/287108256.db2.gz JTGXCGLXYXKMTO-FKTRJACZSA-N 1 0 274.191 3.415 10 0 CGAERO c1cc(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)c[nH]1 ZINC000093016725 165320890 /nfs/dbraw/zinc/32/08/90/165320890.db2.gz RGTHTOFALDKFGK-QGZVFWFLSA-N 1 0 275.440 3.103 10 0 CGAERO Cc1c(C[NH2+]CC[C@@H](C)c2ccccc2)cnn1C ZINC000093650266 165336631 /nfs/dbraw/zinc/33/66/31/165336631.db2.gz XHXJXVLEBMRISP-CYBMUJFWSA-N 1 0 257.381 3.012 10 0 CGAERO CC[C@@H](CC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261931483 165841363 /nfs/dbraw/zinc/84/13/63/165841363.db2.gz WKNQWUSLAMDHKH-GOEBONIOSA-N 1 0 288.435 3.156 10 0 CGAERO C[C@@H](C(=O)Nc1cccc(-c2cccs2)c1)C1C[NH2+]C1 ZINC000262002584 165847956 /nfs/dbraw/zinc/84/79/56/165847956.db2.gz BDVGYZHIYHNHOX-LLVKDONJSA-N 1 0 286.400 3.209 10 0 CGAERO Cc1cnn(CC[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)c1 ZINC000123481629 287220779 /nfs/dbraw/zinc/22/07/79/287220779.db2.gz XDGUCMCJQRQZHF-DLBZAZTESA-N 1 0 283.419 3.363 10 0 CGAERO COc1cc(C)ccc1OCc1cc(C[NH3+])ccc1F ZINC000019393705 170782487 /nfs/dbraw/zinc/78/24/87/170782487.db2.gz FKIISIMJKLRYET-UHFFFAOYSA-N 1 0 275.323 3.180 10 0 CGAERO COc1cc(C(N)=[NH2+])ccc1OCc1cccc(Cl)c1 ZINC000019506168 170818282 /nfs/dbraw/zinc/81/82/82/170818282.db2.gz ZYGPJNOPHSMPQC-UHFFFAOYSA-N 1 0 290.750 3.212 10 0 CGAERO Cc1ccc([C@@H]([NH3+])[C@H]2Cc3ccccc3O2)c(C)c1 ZINC000019971436 170955056 /nfs/dbraw/zinc/95/50/56/170955056.db2.gz KTVACVDEERXLIU-IAGOWNOFSA-N 1 0 253.345 3.307 10 0 CGAERO C[C@@H](NCCC[NH+]1CCCC1)c1c(F)cccc1F ZINC000020129009 171016587 /nfs/dbraw/zinc/01/65/87/171016587.db2.gz MEWCYONBARMGLF-GFCCVEGCSA-N 1 0 268.351 3.101 10 0 CGAERO COc1cc(C[NH2+]C[C@@H](C)c2ccccc2)ccc1O ZINC000020136945 171024791 /nfs/dbraw/zinc/02/47/91/171024791.db2.gz KYTLHBOJCMXESU-CYBMUJFWSA-N 1 0 271.360 3.294 10 0 CGAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccncc1 ZINC000020140263 171026649 /nfs/dbraw/zinc/02/66/49/171026649.db2.gz GUJOKMUSEVTDRJ-KRWDZBQOSA-N 1 0 268.360 3.257 10 0 CGAERO c1coc(COCCC[NH2+]Cc2cccs2)c1 ZINC000020146983 171033794 /nfs/dbraw/zinc/03/37/94/171033794.db2.gz XZTGMNPJHHQSTO-UHFFFAOYSA-N 1 0 251.351 3.038 10 0 CGAERO C[C@@H]1CCCC[C@@H]1[NH2+]CCCOCc1ccco1 ZINC000020146974 171033906 /nfs/dbraw/zinc/03/39/06/171033906.db2.gz GMFGQZCYCWPIIR-HIFRSBDPSA-N 1 0 251.370 3.355 10 0 CGAERO CC[C@H]([NH2+]CCCOC(C)C)c1ccc(O)cc1 ZINC000020198088 171061743 /nfs/dbraw/zinc/06/17/43/171061743.db2.gz AUDSADQPCCTFRC-HNNXBMFYSA-N 1 0 251.370 3.248 10 0 CGAERO C=COCCC[NH2+][C@H](C)c1nc2ccccc2s1 ZINC000020197490 171061951 /nfs/dbraw/zinc/06/19/51/171061951.db2.gz NVFDZGMTWPHLOZ-LLVKDONJSA-N 1 0 262.378 3.497 10 0 CGAERO CN(CC1CCCCC1)[C@@H](C[NH3+])c1ccccc1F ZINC000020225630 171088153 /nfs/dbraw/zinc/08/81/53/171088153.db2.gz VYASGKQLVGVDCG-INIZCTEOSA-N 1 0 264.388 3.338 10 0 CGAERO Cc1cccc([C@H](C[NH3+])N(C)Cc2ccc(F)cc2)c1 ZINC000020225494 171088322 /nfs/dbraw/zinc/08/83/22/171088322.db2.gz QQFXGJRZJGNWQW-KRWDZBQOSA-N 1 0 272.367 3.266 10 0 CGAERO [NH3+]C[C@H](c1ccc(Cl)cc1)N1CCc2ccccc2C1 ZINC000020225990 171089767 /nfs/dbraw/zinc/08/97/67/171089767.db2.gz YATCRPUYHOOVKM-QGZVFWFLSA-N 1 0 286.806 3.398 10 0 CGAERO CCCOc1ccc([C@H](CN)[N@H+](C)CC(C)C)cc1 ZINC000020226553 171091201 /nfs/dbraw/zinc/09/12/01/171091201.db2.gz TWLRFYJVYKTCKY-INIZCTEOSA-N 1 0 264.413 3.063 10 0 CGAERO Cc1ccc(O[C@@H]2CCc3ccccc3[C@H]2[NH3+])cc1 ZINC000020262731 171120387 /nfs/dbraw/zinc/12/03/87/171120387.db2.gz RARVJSLUFPDKCW-IAGOWNOFSA-N 1 0 253.345 3.389 10 0 CGAERO COc1ccc([C@@H](C[NH3+])c2cn(C)c3ccccc23)cc1 ZINC000020268186 171123847 /nfs/dbraw/zinc/12/38/47/171123847.db2.gz JHPAUDKPSUWUTB-MRXNPFEDSA-N 1 0 280.371 3.278 10 0 CGAERO CCCNC(=O)[C@H](C)[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000020316373 171146800 /nfs/dbraw/zinc/14/68/00/171146800.db2.gz NILWJRCIFNWPPR-ZAOZSLGCSA-N 1 0 292.467 3.096 10 0 CGAERO [NH3+][C@H](c1ccc(Cl)s1)[C@H]1Cc2ccccc2O1 ZINC000020374976 171170061 /nfs/dbraw/zinc/17/00/61/171170061.db2.gz CUUSBUVSYYWBKX-MFKMUULPSA-N 1 0 265.765 3.405 10 0 CGAERO Cc1cccc([C@H]([NH3+])Cc2nc3ccccc3o2)c1 ZINC000020428029 171193212 /nfs/dbraw/zinc/19/32/12/171193212.db2.gz GJXPKGVGPZPACL-CYBMUJFWSA-N 1 0 252.317 3.379 10 0 CGAERO Cc1ccc([C@@H]([NH3+])Cc2ccc3ccccc3n2)o1 ZINC000020428659 171193918 /nfs/dbraw/zinc/19/39/18/171193918.db2.gz BWTWSWQLQUSYMR-AWEZNQCLSA-N 1 0 252.317 3.379 10 0 CGAERO [NH3+][C@H](Cc1ccccn1)C12CC3CC(CC(C3)C1)C2 ZINC000020429123 171193972 /nfs/dbraw/zinc/19/39/72/171193972.db2.gz NYSJPMVUVLZLCQ-QUZGTJOHSA-N 1 0 256.393 3.168 10 0 CGAERO [NH3+]CCCC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000020443629 171205724 /nfs/dbraw/zinc/20/57/24/171205724.db2.gz MSYUAUWDZDKPPE-UHFFFAOYSA-N 1 0 280.677 3.036 10 0 CGAERO COc1ccc(F)cc1[C@@H]([NH3+])c1ccc(C)c(F)c1 ZINC000020470523 171212633 /nfs/dbraw/zinc/21/26/33/171212633.db2.gz CGSNXTOWDQZWAC-HNNXBMFYSA-N 1 0 263.287 3.330 10 0 CGAERO CCCC[NH+](CCCC)[C@@H](CN)Cc1ccccc1 ZINC000020485035 171224303 /nfs/dbraw/zinc/22/43/03/171224303.db2.gz KXOKJAIBKJFHGD-QGZVFWFLSA-N 1 0 262.441 3.459 10 0 CGAERO CCOC(=O)C[C@H]([NH3+])c1ccc(SC(F)(F)F)cc1 ZINC000020577724 171256514 /nfs/dbraw/zinc/25/65/14/171256514.db2.gz CAEBATSWAOUBMS-JTQLQIEISA-N 1 0 293.310 3.252 10 0 CGAERO CCCOc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCCO1 ZINC000020928793 171280613 /nfs/dbraw/zinc/28/06/13/171280613.db2.gz VRIINKYTYJWLAK-AWEZNQCLSA-N 1 0 283.799 3.397 10 0 CGAERO CCC(C)(C)C1CCC(C[NH3+])(N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000021012917 171288416 /nfs/dbraw/zinc/28/84/16/171288416.db2.gz MJXQYJNLEZAMQM-WMTDPASSSA-N 1 0 296.499 3.420 10 0 CGAERO C[C@@H]1C[C@H](C)C[N@H+](C2(CN)CCCCCCC2)C1 ZINC000021026886 171291163 /nfs/dbraw/zinc/29/11/63/171291163.db2.gz KDSLMOCBCDULJO-GASCZTMLSA-N 1 0 252.446 3.406 10 0 CGAERO C[C@@H]1C[C@@H](C)C[NH+](C2(CN)CCCCCCC2)C1 ZINC000021026880 171291395 /nfs/dbraw/zinc/29/13/95/171291395.db2.gz KDSLMOCBCDULJO-HUUCEWRRSA-N 1 0 252.446 3.406 10 0 CGAERO Cc1cc(C)cc(C(=O)Nc2cccc(C[NH3+])c2)c1 ZINC000021953706 171340706 /nfs/dbraw/zinc/34/07/06/171340706.db2.gz YFUXPFPCXLQFRT-UHFFFAOYSA-N 1 0 254.333 3.014 10 0 CGAERO C[C@@H]1CCCC[N@@H+]1CCCC(=O)Nc1ccc(F)cc1N ZINC000022155182 171361944 /nfs/dbraw/zinc/36/19/44/171361944.db2.gz HXSPOWWOKBDZME-GFCCVEGCSA-N 1 0 293.386 3.001 10 0 CGAERO CN(c1ccccc1)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000022162317 171364655 /nfs/dbraw/zinc/36/46/55/171364655.db2.gz CPNSJTIPJZUTJV-HNNXBMFYSA-N 1 0 260.768 3.476 10 0 CGAERO CC(C)N(C)[C@@H](C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000022178605 171371826 /nfs/dbraw/zinc/37/18/26/171371826.db2.gz VHLXLVGFNLMXCC-LBPRGKRZSA-N 1 0 260.303 3.045 10 0 CGAERO CN(c1ccccc1)[C@@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000022213243 171374544 /nfs/dbraw/zinc/37/45/44/171374544.db2.gz JSLQYWPLBREOTG-HNNXBMFYSA-N 1 0 262.303 3.101 10 0 CGAERO Cc1c(N)cccc1NC(=O)CC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000022218255 171376282 /nfs/dbraw/zinc/37/62/82/171376282.db2.gz RHAIGZHAHUUSCK-STQMWFEESA-N 1 0 289.423 3.169 10 0 CGAERO COc1ccc([C@H](N)[C@@H](C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000022563509 171391070 /nfs/dbraw/zinc/39/10/70/171391070.db2.gz SOFHGKGWRWJUEO-UMPJEAMMSA-N 1 0 276.424 3.061 10 0 CGAERO COc1ccccc1OC[C@H]([NH3+])c1ccccc1C ZINC000022565011 171392129 /nfs/dbraw/zinc/39/21/29/171392129.db2.gz HPQIGERYMQYDLI-AWEZNQCLSA-N 1 0 257.333 3.082 10 0 CGAERO COc1ccc(C)cc1[C@H]([NH3+])COC1CCCCC1 ZINC000023068208 171408522 /nfs/dbraw/zinc/40/85/22/171408522.db2.gz PUFFBAJCMNHMOF-OAHLLOKOSA-N 1 0 263.381 3.353 10 0 CGAERO COc1cc(C[NH2+][C@@H](C)c2ccco2)cc(OC)c1 ZINC000035137040 172003625 /nfs/dbraw/zinc/00/36/25/172003625.db2.gz CDNOARIPTBXIBE-NSHDSACASA-N 1 0 261.321 3.148 10 0 CGAERO C[C@H]1[C@H]([NH2+]CC(=O)Nc2c(F)cccc2F)CCC[C@@H]1C ZINC000035159914 172018094 /nfs/dbraw/zinc/01/80/94/172018094.db2.gz VJPQBLUVPOJORV-MISXGVKJSA-N 1 0 296.361 3.318 10 0 CGAERO CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000035224410 172068653 /nfs/dbraw/zinc/06/86/53/172068653.db2.gz IWXZTAAYVFHPRB-QKPAOTATSA-N 1 0 280.456 3.192 10 0 CGAERO CC(C)C[NH2+][C@H]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000035273150 172093490 /nfs/dbraw/zinc/09/34/90/172093490.db2.gz WCOVLXMYUSAVOV-WDEREUQCSA-N 1 0 253.308 3.122 10 0 CGAERO COc1ccc(F)cc1[C@H]([NH3+])c1sccc1C ZINC000035381481 172164713 /nfs/dbraw/zinc/16/47/13/172164713.db2.gz WWPASFLJPFMMRW-LBPRGKRZSA-N 1 0 251.326 3.252 10 0 CGAERO COc1ccc([C@@H]([NH3+])Cc2cccc(F)c2)cc1F ZINC000035424649 172193219 /nfs/dbraw/zinc/19/32/19/172193219.db2.gz XZKGUWFLFOSOSF-AWEZNQCLSA-N 1 0 263.287 3.216 10 0 CGAERO C[NH2+][C@H](c1ccc(C)o1)c1ccc(CCOC)cc1 ZINC000035467400 172215931 /nfs/dbraw/zinc/21/59/31/172215931.db2.gz USTOPERWGWCEMM-INIZCTEOSA-N 1 0 259.349 3.086 10 0 CGAERO C[NH2+][C@H](c1cccs1)c1ccc(CCOC)cc1 ZINC000035467423 172216118 /nfs/dbraw/zinc/21/61/18/172216118.db2.gz FFUXCOHQJLCBGS-HNNXBMFYSA-N 1 0 261.390 3.246 10 0 CGAERO C[NH2+][C@@H](c1ccc(OC(C)C)cc1)c1cccnc1 ZINC000035498703 172232041 /nfs/dbraw/zinc/23/20/41/172232041.db2.gz OPVINBDDQWPVLI-INIZCTEOSA-N 1 0 256.349 3.178 10 0 CGAERO C[NH2+][C@@H](c1cc2c(cc1Cl)OCCCO2)C1CC1 ZINC000035501158 172235027 /nfs/dbraw/zinc/23/50/27/172235027.db2.gz GDIGHLWIQMEBMZ-CQSZACIVSA-N 1 0 267.756 3.172 10 0 CGAERO CC[NH2+][C@H](CC(C)C)c1cc(OC)ccc1OC ZINC000035541466 172249195 /nfs/dbraw/zinc/24/91/95/172249195.db2.gz SPPZZGJVQOHDRU-CQSZACIVSA-N 1 0 251.370 3.401 10 0 CGAERO CC[NH2+][C@H](Cc1ncc[nH]1)C[C@@H](C)CC(C)(C)C ZINC000035570090 172265011 /nfs/dbraw/zinc/26/50/11/172265011.db2.gz CTBDPOQIXQDKGR-OLZOCXBDSA-N 1 0 251.418 3.393 10 0 CGAERO CC[NH2+][C@H](Cc1ncc[nH]1)c1ccc(Cl)cc1F ZINC000035570200 172265087 /nfs/dbraw/zinc/26/50/87/172265087.db2.gz QVQYXURNJUYFPE-GFCCVEGCSA-N 1 0 267.735 3.096 10 0 CGAERO CCC[NH2+][C@H](c1cc(OC)ccc1OC)C(C)C ZINC000035577821 172274491 /nfs/dbraw/zinc/27/44/91/172274491.db2.gz XGIFQDSPYVRRNB-HNNXBMFYSA-N 1 0 251.370 3.401 10 0 CGAERO Nc1ccc2[nH]c(CCSCc3ccco3)[nH+]c2c1 ZINC000035659211 172335593 /nfs/dbraw/zinc/33/55/93/172335593.db2.gz BUHFWVUYFWUCJY-UHFFFAOYSA-N 1 0 273.361 3.214 10 0 CGAERO C[C@H]1CCC[C@](C[NH3+])(N(C)Cc2cccs2)C1 ZINC000035717233 172371622 /nfs/dbraw/zinc/37/16/22/172371622.db2.gz SAGZDFBLCVMTHE-JSGCOSHPSA-N 1 0 252.427 3.088 10 0 CGAERO [NH3+]Cc1ccc(CSCc2ccco2)c(F)c1 ZINC000035721806 172377498 /nfs/dbraw/zinc/37/74/98/172377498.db2.gz VXBPLBLJUUDXNE-UHFFFAOYSA-N 1 0 251.326 3.311 10 0 CGAERO [NH3+]C[C@@H]1CCCC[C@H]1Sc1nc2ccccc2[nH]1 ZINC000035723681 172378561 /nfs/dbraw/zinc/37/85/61/172378561.db2.gz PLTNTMOHAKOOQU-GXFFZTMASA-N 1 0 261.394 3.173 10 0 CGAERO [NH3+]C[C@H]1CCCC[C@@H]1Sc1nc2ccccc2o1 ZINC000035724436 172379508 /nfs/dbraw/zinc/37/95/08/172379508.db2.gz OAKGJECNVGIBHP-MFKMUULPSA-N 1 0 262.378 3.437 10 0 CGAERO C[C@H]1C[C@H]([NH3+])c2cc(Br)ccc2S1 ZINC000035751998 172396586 /nfs/dbraw/zinc/39/65/86/172396586.db2.gz QSNJETSRWNWZHC-RCOVLWMOSA-N 1 0 258.184 3.333 10 0 CGAERO C[C@@H]1C[C@@H]([NH3+])c2cc(Br)ccc2S1 ZINC000035752000 172396777 /nfs/dbraw/zinc/39/67/77/172396777.db2.gz QSNJETSRWNWZHC-HZGVNTEJSA-N 1 0 258.184 3.333 10 0 CGAERO COC(=O)C[C@H](C)[NH2+]C(c1ccccc1)c1ccccc1 ZINC000035748918 172396834 /nfs/dbraw/zinc/39/68/34/172396834.db2.gz WZQWUVGZDYYLSK-AWEZNQCLSA-N 1 0 283.371 3.317 10 0 CGAERO COC(=O)C[C@@H](C)[NH2+]C(c1ccccc1)c1ccccc1 ZINC000035748920 172397073 /nfs/dbraw/zinc/39/70/73/172397073.db2.gz WZQWUVGZDYYLSK-CQSZACIVSA-N 1 0 283.371 3.317 10 0 CGAERO CCC(=O)N1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)C1 ZINC000126592620 287268528 /nfs/dbraw/zinc/26/85/28/287268528.db2.gz XCARMTMVWBKFGB-KKUMJFAQSA-N 1 0 280.456 3.192 10 0 CGAERO COc1ccc([C@@H]([NH3+])c2cc3c(s2)CCC3)c(F)c1 ZINC000036766505 172685373 /nfs/dbraw/zinc/68/53/73/172685373.db2.gz OHQLHCRKGUXHHP-OAHLLOKOSA-N 1 0 277.364 3.433 10 0 CGAERO O[C@H]1CCC[C@H]([NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000037166143 173000314 /nfs/dbraw/zinc/00/03/14/173000314.db2.gz SUHPRNLTXXURIZ-YIOUJQMASA-N 1 0 279.811 3.479 10 0 CGAERO O[C@@H]1CCC[C@H]([NH2+]C2CC(c3ccc(Cl)cc3)C2)C1 ZINC000037166189 173000914 /nfs/dbraw/zinc/00/09/14/173000914.db2.gz AHUJMYRWQPDIMI-OMFOHFGMSA-N 1 0 279.811 3.479 10 0 CGAERO CCOc1ccc([C@H](CN)[N@H+](C)C[C@@H](C)CC)cc1 ZINC000037172619 173006793 /nfs/dbraw/zinc/00/67/93/173006793.db2.gz MSDHPEFWXXPFGG-BBRMVZONSA-N 1 0 264.413 3.063 10 0 CGAERO CC[N@@H+]1CCC[C@@H]([C@@H](C)Nc2ccc(F)c(F)c2)C1 ZINC000037209779 173032148 /nfs/dbraw/zinc/03/21/48/173032148.db2.gz LBVZOJGHEIAPHO-VXGBXAGGSA-N 1 0 268.351 3.497 10 0 CGAERO COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1OC ZINC000037217610 173035992 /nfs/dbraw/zinc/03/59/92/173035992.db2.gz WEMUVECITQQFNH-XPKDYRNWSA-N 1 0 263.381 3.303 10 0 CGAERO Cc1cc(C)c([C@@H](C)[NH2+]CCCOC(C)C)c(C)n1 ZINC000037239770 173057274 /nfs/dbraw/zinc/05/72/74/173057274.db2.gz MYYYSBBVFSPMQF-CQSZACIVSA-N 1 0 264.413 3.473 10 0 CGAERO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000037303469 173108949 /nfs/dbraw/zinc/10/89/49/173108949.db2.gz RLLZMDDTCMAXKA-IJEWVQPXSA-N 1 0 261.365 3.057 10 0 CGAERO Cc1cccc([C@@H]([NH3+])c2cnn(-c3ccccc3)c2)c1 ZINC000037308963 173112259 /nfs/dbraw/zinc/11/22/59/173112259.db2.gz GNUCPZABTVJXKA-QGZVFWFLSA-N 1 0 263.344 3.229 10 0 CGAERO CO[C@H]1CCCC[C@H]1Nc1ccccc1C[NH+](C)C ZINC000037320572 173121412 /nfs/dbraw/zinc/12/14/12/173121412.db2.gz ZYTSVMRFOSFDJL-CVEARBPZSA-N 1 0 262.397 3.118 10 0 CGAERO CCOc1ccc(C(=O)C[N@H+](CC)CC(C)C)cc1 ZINC000037336261 173136347 /nfs/dbraw/zinc/13/63/47/173136347.db2.gz GXJJPSIGASSELY-UHFFFAOYSA-N 1 0 263.381 3.246 10 0 CGAERO O=C(C[NH2+]C1CC1)Nc1c(Cl)cccc1C(F)(F)F ZINC000037387040 173171113 /nfs/dbraw/zinc/17/11/13/173171113.db2.gz AYUFRBAWLBPVFI-UHFFFAOYSA-N 1 0 292.688 3.049 10 0 CGAERO CC[N@@H+]1CCC[C@H]1Cn1c2cccc(F)c2[nH]c1=S ZINC000037422261 173198684 /nfs/dbraw/zinc/19/86/84/173198684.db2.gz UXXTXMXYMGWUPW-JTQLQIEISA-N 1 0 279.384 3.322 10 0 CGAERO Cc1ccc2c(c1)nc([C@H]([NH3+])Cc1ccccc1)n2C ZINC000037437842 173208315 /nfs/dbraw/zinc/20/83/15/173208315.db2.gz GSXOMTGLQBWSFH-CQSZACIVSA-N 1 0 265.360 3.124 10 0 CGAERO CCC[C@@H]([NH3+])c1nc2cc(Br)ccc2[nH]1 ZINC000037441173 173211273 /nfs/dbraw/zinc/21/12/73/173211273.db2.gz OWFNDVMWKFJTQY-MRVPVSSYSA-N 1 0 268.158 3.125 10 0 CGAERO C[NH2+][C@@H](Cc1ccccc1Br)C[C@H]1CCCO1 ZINC000037535099 173254491 /nfs/dbraw/zinc/25/44/91/173254491.db2.gz AXJWLYSXKFRLMS-QWHCGFSZSA-N 1 0 298.224 3.149 10 0 CGAERO CCCOc1ccc(C[C@H](C)[NH3+])c(OCCC)c1 ZINC000037722231 173641141 /nfs/dbraw/zinc/64/11/41/173641141.db2.gz GSQPGEAXQWGYSY-LBPRGKRZSA-N 1 0 251.370 3.154 10 0 CGAERO O[C@H](C[NH2+]CCC1CCCC1)c1cc(F)ccc1F ZINC000037741208 173662495 /nfs/dbraw/zinc/66/24/95/173662495.db2.gz DUXMZJNWGSVCSZ-OAHLLOKOSA-N 1 0 269.335 3.168 10 0 CGAERO CCCC1CCC([NH2+]CCC(=O)N(CC)CC)CC1 ZINC000037752603 173676235 /nfs/dbraw/zinc/67/62/35/173676235.db2.gz ICCGWZBMRWTRAT-UHFFFAOYSA-N 1 0 268.445 3.193 10 0 CGAERO CCCC[C@H]([NH3+])C(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000037806531 173748410 /nfs/dbraw/zinc/74/84/10/173748410.db2.gz BJAAJOIUCXBAEX-RISCZKNCSA-N 1 0 282.815 3.377 10 0 CGAERO O[C@H](C[NH2+]C1CCCCCC1)c1cc(F)ccc1F ZINC000037885808 173822698 /nfs/dbraw/zinc/82/26/98/173822698.db2.gz MLBCDUVOBMCEKH-OAHLLOKOSA-N 1 0 269.335 3.311 10 0 CGAERO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]CC1CCC(CC)CC1 ZINC000037905857 173838380 /nfs/dbraw/zinc/83/83/80/173838380.db2.gz CJYXQJNXRUUIQL-DNDYEEKYSA-N 1 0 268.445 3.096 10 0 CGAERO C[NH2+][C@@H](C)CCc1cc(Br)ccc1F ZINC000038000989 173963843 /nfs/dbraw/zinc/96/38/43/173963843.db2.gz GVYRBIQZQHZFIY-QMMMGPOBSA-N 1 0 260.150 3.129 10 0 CGAERO [NH3+][C@H]1CCCC[C@H]1Nc1c(F)c(F)c(F)c(F)c1F ZINC000038050972 174062891 /nfs/dbraw/zinc/06/28/91/174062891.db2.gz OCYJFUNKPJADEQ-NTSWFWBYSA-N 1 0 280.240 3.064 10 0 CGAERO Cc1cc(C)cc(CC2(O)CC[NH+](C(C)C)CC2)c1 ZINC000038077091 174087354 /nfs/dbraw/zinc/08/73/54/174087354.db2.gz WXHUSXHRIYNLEC-UHFFFAOYSA-N 1 0 261.409 3.081 10 0 CGAERO Cc1ccccc1C1CC([NH2+]CC[C@@H]2CCCO2)C1 ZINC000038096145 174110169 /nfs/dbraw/zinc/11/01/69/174110169.db2.gz HSQLXIFEQQENJK-GPANFISMSA-N 1 0 259.393 3.400 10 0 CGAERO CC(C)C[C@](C)(C[NH3+])NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000127420952 287287859 /nfs/dbraw/zinc/28/78/59/287287859.db2.gz FQCULZPRJFTCPQ-GOSISDBHSA-N 1 0 290.451 3.477 10 0 CGAERO CCCN(CCC)[C@H](C[NH3+])c1ccccc1OCC ZINC000038860230 174158421 /nfs/dbraw/zinc/15/84/21/174158421.db2.gz NAZCNJYRQGOGAP-OAHLLOKOSA-N 1 0 264.413 3.207 10 0 CGAERO OC1(c2cccc(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000039953771 174177787 /nfs/dbraw/zinc/17/77/87/174177787.db2.gz OUJFBZZSMDBZCQ-UHFFFAOYSA-N 1 0 285.362 3.309 10 0 CGAERO CCCC[C@H]([NH3+])c1nc2ccccc2n1CCCOC ZINC000040163841 174196834 /nfs/dbraw/zinc/19/68/34/174196834.db2.gz RKCSFQBGKAYGAG-ZDUSSCGKSA-N 1 0 275.396 3.263 10 0 CGAERO [NH3+]Cc1cccc(Cn2ccnc2-c2ccccc2)c1 ZINC000040228231 174208818 /nfs/dbraw/zinc/20/88/18/174208818.db2.gz MENQKCUJYDMSJE-UHFFFAOYSA-N 1 0 263.344 3.057 10 0 CGAERO COc1cccc(-c2nc(C[NH2+]C3CC3)cs2)c1 ZINC000040418828 174256896 /nfs/dbraw/zinc/25/68/96/174256896.db2.gz IQTJAVTZFDHDMJ-UHFFFAOYSA-N 1 0 260.362 3.071 10 0 CGAERO C[NH2+]C[C@@H](C)c1nc(-c2cccc(OC)c2)cs1 ZINC000041354463 174532593 /nfs/dbraw/zinc/53/25/93/174532593.db2.gz LJBBTECNSNEEDP-SNVBAGLBSA-N 1 0 262.378 3.142 10 0 CGAERO CN1CC[C@H]([NH2+]Cc2cc(-c3cccs3)cs2)C1 ZINC000042545955 174787030 /nfs/dbraw/zinc/78/70/30/174787030.db2.gz HLVWBJHEYGDWND-LBPRGKRZSA-N 1 0 278.446 3.270 10 0 CGAERO C[C@@H]1CCCC[C@@H]1[N@H+](C)CC(=O)c1cccs1 ZINC000042608975 174821547 /nfs/dbraw/zinc/82/15/47/174821547.db2.gz XFDPQGBCLZKYEW-NEPJUHHUSA-N 1 0 251.395 3.441 10 0 CGAERO C[C@@H]([NH3+])[C@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC000042904179 174907119 /nfs/dbraw/zinc/90/71/19/174907119.db2.gz NLWNKIRDGRXQLC-BMIGLBTASA-N 1 0 263.287 3.432 10 0 CGAERO C[C@@H]1CCCC[C@H]1O[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000042916567 174916285 /nfs/dbraw/zinc/91/62/85/174916285.db2.gz OQHURKWYUXHSOG-DFBGVHRSSA-N 1 0 251.345 3.421 10 0 CGAERO CC[C@H]([NH3+])[C@H](OC[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000042948671 174922936 /nfs/dbraw/zinc/92/29/36/174922936.db2.gz SVTZDJTWBLYGCM-SOUVJXGZSA-N 1 0 283.799 3.314 10 0 CGAERO CCCCCCO[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000042963651 174927853 /nfs/dbraw/zinc/92/78/53/174927853.db2.gz KBQKHBXULRCYFC-HNNXBMFYSA-N 1 0 251.370 3.292 10 0 CGAERO Cc1cccc([C@H](C[NH3+])Oc2ccc(F)c(F)c2)c1 ZINC000042969249 174932426 /nfs/dbraw/zinc/93/24/26/174932426.db2.gz RMYDMMVMYNUZJI-HNNXBMFYSA-N 1 0 263.287 3.352 10 0 CGAERO C[C@H]([NH3+])[C@H](c1cccc(Cl)c1)n1cc(Cl)cn1 ZINC000043016807 174943402 /nfs/dbraw/zinc/94/34/02/174943402.db2.gz YAFISZVWSQXBHW-QPUJVOFHSA-N 1 0 270.163 3.127 10 0 CGAERO CC[C@@H]([NH3+])[C@H](c1ccccc1Cl)N1CCSCC1 ZINC000043051187 174958897 /nfs/dbraw/zinc/95/88/97/174958897.db2.gz RGNAENXAFLOLGT-KGLIPLIRSA-N 1 0 284.856 3.167 10 0 CGAERO C[C@H]([NH3+])[C@@H](Sc1cnn(C)c1)c1ccccc1Cl ZINC000043090278 174964050 /nfs/dbraw/zinc/96/40/50/174964050.db2.gz WHDPLXVGLQSMOR-TVQRCGJNSA-N 1 0 281.812 3.254 10 0 CGAERO CC[C@H]([NH3+])[C@@H](c1cccs1)N(C)Cc1ccncc1 ZINC000043103869 174969531 /nfs/dbraw/zinc/96/95/31/174969531.db2.gz NYTBVZQEPVLGPO-ZFWWWQNUSA-N 1 0 275.421 3.054 10 0 CGAERO COc1ccccc1C[C@@H]([NH3+])c1ccc(F)c(C)c1 ZINC000043457839 175049901 /nfs/dbraw/zinc/04/99/01/175049901.db2.gz CRNGJHHECOJTOJ-OAHLLOKOSA-N 1 0 259.324 3.385 10 0 CGAERO Cc1ccc(Nc2cc(N)cc[nH+]2)c(Br)c1 ZINC000043568535 175067558 /nfs/dbraw/zinc/06/75/58/175067558.db2.gz VHWJTSPWZAXOSC-UHFFFAOYSA-N 1 0 278.153 3.478 10 0 CGAERO CCC(C)(C)[C@@H]1CC[C@@H](O)[C@H]([NH+]2CCCCC2)C1 ZINC000044119500 175141989 /nfs/dbraw/zinc/14/19/89/175141989.db2.gz VELLPWVRWXLXCR-RBSFLKMASA-N 1 0 253.430 3.438 10 0 CGAERO CCCC[NH+](CCCC)[C@H]1COc2ccccc2[C@H]1O ZINC000044125953 175144367 /nfs/dbraw/zinc/14/43/67/175144367.db2.gz ICYOXDVZXKILII-DOTOQJQBSA-N 1 0 277.408 3.383 10 0 CGAERO [NH3+]Cc1cccc(Cn2ccnc2-c2cccs2)c1 ZINC000045047985 175297295 /nfs/dbraw/zinc/29/72/95/175297295.db2.gz VOEGSOCSVOSFEP-UHFFFAOYSA-N 1 0 269.373 3.119 10 0 CGAERO CC[NH2+]C[C@@H](Oc1ccc(C)cc1OC)C(C)C ZINC000052646827 175536616 /nfs/dbraw/zinc/53/66/16/175536616.db2.gz CVDMWRBRMOONIQ-OAHLLOKOSA-N 1 0 251.370 3.017 10 0 CGAERO C[C@H]1CCC[C@@H]1n1c(N)[nH+]c2ccc(F)c(F)c21 ZINC000071208714 176081443 /nfs/dbraw/zinc/08/14/43/176081443.db2.gz HHCFHZIVUPIFFT-XVKPBYJWSA-N 1 0 251.280 3.258 10 0 CGAERO [NH2+]=C1c2cc(F)ccc2CN1CCc1cccs1 ZINC000071268649 176102044 /nfs/dbraw/zinc/10/20/44/176102044.db2.gz KHYCTPMZULJDEF-UHFFFAOYSA-N 1 0 260.337 3.271 10 0 CGAERO Clc1ccc([C@H]2C[NH2+]C[C@@H](C3CC3)O2)cc1Cl ZINC000071308453 176116213 /nfs/dbraw/zinc/11/62/13/176116213.db2.gz CJQHYCPONFHRCC-QWHCGFSZSA-N 1 0 272.175 3.433 10 0 CGAERO C[NH2+]C[C@H](OC)c1ccc(Oc2ccccc2)cc1 ZINC000071582321 176207400 /nfs/dbraw/zinc/20/74/00/176207400.db2.gz XQAYINIWNADPHZ-INIZCTEOSA-N 1 0 257.333 3.386 10 0 CGAERO CC[C@@H]([NH2+]C)C(=O)c1ccc(OC)c(C(C)(C)C)c1 ZINC000071595559 176218604 /nfs/dbraw/zinc/21/86/04/176218604.db2.gz BVUZHWJBQYOPTK-CYBMUJFWSA-N 1 0 263.381 3.173 10 0 CGAERO CC[C@@H]([NH2+]C)C(=O)c1cc(C(C)(C)C)ccc1OC ZINC000071595590 176218654 /nfs/dbraw/zinc/21/86/54/176218654.db2.gz JATAFXUNJWEYLP-CYBMUJFWSA-N 1 0 263.381 3.173 10 0 CGAERO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C(C)(C)C ZINC000073654603 176482504 /nfs/dbraw/zinc/48/25/04/176482504.db2.gz FJKDKNOLJKECET-NWDGAFQWSA-N 1 0 270.417 3.020 10 0 CGAERO CCc1nc(-c2ccccc2)nc(N[C@@H]2CCC[NH2+]C2)c1C ZINC000073685138 176486044 /nfs/dbraw/zinc/48/60/44/176486044.db2.gz GPNBGMCRJGMTTM-OAHLLOKOSA-N 1 0 296.418 3.178 10 0 CGAERO COc1cc(C)c([C@H](CC[NH3+])C(C)C)c(OC)c1 ZINC000076656064 177045427 /nfs/dbraw/zinc/04/54/27/177045427.db2.gz QEMNAVWWBIQFTM-CYBMUJFWSA-N 1 0 251.370 3.101 10 0 CGAERO CCC[C@@H](C[NH3+])CC(=O)Nc1ccccc1Cl ZINC000076658844 177047631 /nfs/dbraw/zinc/04/76/31/177047631.db2.gz MDNLRHXQWZPLPZ-SNVBAGLBSA-N 1 0 254.761 3.044 10 0 CGAERO Cc1ccccc1CC[C@H](CC[NH3+])c1ccccn1 ZINC000076658468 177047943 /nfs/dbraw/zinc/04/79/43/177047943.db2.gz ABMUBMVJHIJFAX-MRXNPFEDSA-N 1 0 254.377 3.455 10 0 CGAERO CC(C)c1ccccc1NC(=O)[C@@H](CC[NH3+])C(C)C ZINC000076675558 177056108 /nfs/dbraw/zinc/05/61/08/177056108.db2.gz LTGKIAQLWSPYKK-AWEZNQCLSA-N 1 0 262.397 3.370 10 0 CGAERO CCC[C@@H](CC[NH3+])C(=O)Nc1cccc(Cl)c1C ZINC000076705918 177065243 /nfs/dbraw/zinc/06/52/43/177065243.db2.gz CCZXPWUHRPPUBI-NSHDSACASA-N 1 0 268.788 3.352 10 0 CGAERO COc1ccc([C@@H]([NH3+])c2c(C)oc(C)c2C)cc1OC ZINC000077088668 177212032 /nfs/dbraw/zinc/21/20/32/177212032.db2.gz RCJBBFLJHBBTDH-MRXNPFEDSA-N 1 0 275.348 3.270 10 0 CGAERO [NH3+]CCCn1cc(-c2ccc(Cl)cc2Cl)cn1 ZINC000049861300 416476783 /nfs/dbraw/zinc/47/67/83/416476783.db2.gz BCCGRGNGJHUQGB-UHFFFAOYSA-N 1 0 270.163 3.206 10 0 CGAERO CC(C)(C)C1CCC(C[NH2+]CC2CC(O)C2)CC1 ZINC000129928855 287341466 /nfs/dbraw/zinc/34/14/66/287341466.db2.gz WQKVUJLSIHZLNN-UHFFFAOYSA-N 1 0 253.430 3.199 10 0 CGAERO C[C@@H]1CC(C[NH2+]Cc2nc3c(s2)CCCC3)C[C@@H](C)O1 ZINC000684931327 544041463 /nfs/dbraw/zinc/04/14/63/544041463.db2.gz JTJXYFPRTQDQCP-VXGBXAGGSA-N 1 0 294.464 3.315 10 0 CGAERO Cc1cccc2c1OCCC[C@@H]2[NH2+]C[C@H]1CCCOC1 ZINC000038045086 292600785 /nfs/dbraw/zinc/60/07/85/292600785.db2.gz JNLXXICQCGYWLC-ZBFHGGJFSA-N 1 0 275.392 3.225 10 0 CGAERO Cc1cccc2c1OCCC[C@H]2[NH2+]C[C@@H]1CCCOC1 ZINC000038045085 292600879 /nfs/dbraw/zinc/60/08/79/292600879.db2.gz JNLXXICQCGYWLC-GOEBONIOSA-N 1 0 275.392 3.225 10 0 CGAERO CO[C@H](C[NH2+][C@H](C)c1ccc(F)c(F)c1)C1CCC1 ZINC000660175098 419094336 /nfs/dbraw/zinc/09/43/36/419094336.db2.gz NUSHJRZKCCGXFZ-MEBBXXQBSA-N 1 0 269.335 3.431 10 0 CGAERO CC(C)(C)[C@@H]1CCC[C@H]([NH2+]C2CC(CO)C2)CC1 ZINC000657813090 419366128 /nfs/dbraw/zinc/36/61/28/419366128.db2.gz QJXPSDKHLCFRBB-FUUBYGMNSA-N 1 0 253.430 3.342 10 0 CGAERO C[C@H](CC[NH2+][C@@H](C)C1CCC1)NC(=O)OC(C)(C)C ZINC000180521237 260105003 /nfs/dbraw/zinc/10/50/03/260105003.db2.gz AQMWYUMXMMPFDA-NEPJUHHUSA-N 1 0 270.417 3.068 10 0 CGAERO C[C@@H]1CCc2ccccc2N1CCC1CC[NH2+]CC1 ZINC000020593489 262345471 /nfs/dbraw/zinc/34/54/71/262345471.db2.gz BUJDQJGTFGXQQA-CQSZACIVSA-N 1 0 258.409 3.217 10 0 CGAERO COc1ccccc1C[C@@H](C)[NH2+][C@H](CC(C)C)CN(C)C ZINC000037321606 270029425 /nfs/dbraw/zinc/02/94/25/270029425.db2.gz IBLWKAVTRHKCRL-NVXWUHKLSA-N 1 0 292.467 3.192 10 0 CGAERO CC(C)Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000085360696 270043625 /nfs/dbraw/zinc/04/36/25/270043625.db2.gz ULCOPJBZAOJPEL-XKQJLSEDSA-N 1 0 288.435 3.190 10 0 CGAERO CC[C@@H](CC(=O)NC[C@H](C)[NH+](CC)CC)c1ccccc1 ZINC000103520332 270046223 /nfs/dbraw/zinc/04/62/23/270046223.db2.gz KNTSNLMMJXLPGJ-HOTGVXAUSA-N 1 0 290.451 3.417 10 0 CGAERO CCc1cccc(C[N@@H+]2CCC[C@@H](Cc3noc(C)n3)C2)c1 ZINC000189099947 270070604 /nfs/dbraw/zinc/07/06/04/270070604.db2.gz HNRPNEPGNQNGPB-KRWDZBQOSA-N 1 0 299.418 3.395 10 0 CGAERO CC[C@](C)(O)C[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190192123 270073244 /nfs/dbraw/zinc/07/32/44/270073244.db2.gz RCNCFDYSZWEXGE-JQWIXIFHSA-N 1 0 267.335 3.058 10 0 CGAERO O[C@@]12CCCC[C@H]1C[N@H+](Cc1cccc(Cl)c1)CC2 ZINC000220380606 270085947 /nfs/dbraw/zinc/08/59/47/270085947.db2.gz PWIPRCWWWFGIAM-GOEBONIOSA-N 1 0 279.811 3.467 10 0 CGAERO O[C@]12CCCC[C@H]1C[N@H+](Cc1ccc3c(c1)CCC3)CC2 ZINC000220388199 270085992 /nfs/dbraw/zinc/08/59/92/270085992.db2.gz AAMCMLHFBNCHBS-OALUTQOASA-N 1 0 285.431 3.302 10 0 CGAERO Cc1cnn(CC[NH2+]C2CC(C)(C)CC(C)(C)C2)c1 ZINC000227321864 270087194 /nfs/dbraw/zinc/08/71/94/270087194.db2.gz RSZAGBDWZPZIRI-UHFFFAOYSA-N 1 0 263.429 3.386 10 0 CGAERO CCN1CC[C@@H]([NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000328349250 270095149 /nfs/dbraw/zinc/09/51/49/270095149.db2.gz MWHYNRPVSZSRLD-HUUCEWRRSA-N 1 0 250.430 3.173 10 0 CGAERO C[C@H]1CCN(c2nc(C3CCCCC3)ns2)[C@H](C[NH3+])C1 ZINC000333328266 265944398 /nfs/dbraw/zinc/94/43/98/265944398.db2.gz VSZGGBOEPNKJBF-AAEUAGOBSA-N 1 0 294.468 3.149 10 0 CGAERO Brc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000532748907 270218932 /nfs/dbraw/zinc/21/89/32/270218932.db2.gz XFBXAMVEZPSCRQ-AAEUAGOBSA-N 1 0 266.182 3.433 10 0 CGAERO Brc1ccccc1C[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000532748914 270219142 /nfs/dbraw/zinc/21/91/42/270219142.db2.gz XFBXAMVEZPSCRQ-YPMHNXCESA-N 1 0 266.182 3.433 10 0 CGAERO C[C@@H]1CCC[N@H+](Cc2cccc3ccccc32)[C@H]1CN ZINC000251604776 274291408 /nfs/dbraw/zinc/29/14/08/274291408.db2.gz BVLAWGLPWZRTJP-KDOFPFPSSA-N 1 0 268.404 3.399 10 0 CGAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1nc2ccc(Cl)cc2n1C ZINC000091320162 274523814 /nfs/dbraw/zinc/52/38/14/274523814.db2.gz DLXBSDRBHXYBFR-VDDIYKPWSA-N 1 0 263.772 3.286 10 0 CGAERO O[C@@H]1c2ccccc2C[C@@H]1[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000178358681 275055517 /nfs/dbraw/zinc/05/55/17/275055517.db2.gz JOIHODVKKMHBQS-FGTMMUONSA-N 1 0 283.346 3.061 10 0 CGAERO O[C@@H]1c2ccccc2C[C@@H]1[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000248121838 275055812 /nfs/dbraw/zinc/05/58/12/275055812.db2.gz NLKTXAYYAABOKQ-OKZBNKHCSA-N 1 0 283.346 3.061 10 0 CGAERO O[C@@H]1CCC[C@H]1C[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000250809708 287830228 /nfs/dbraw/zinc/83/02/28/287830228.db2.gz KJOLIRACVLHOMA-UXLLHSPISA-N 1 0 271.360 3.120 10 0 CGAERO CC(C)(C)C1CCC([NH2+]C[C@@H]2CCC[C@@H]2O)CC1 ZINC000089163964 275509577 /nfs/dbraw/zinc/50/95/77/275509577.db2.gz HVAAMDYMUYZDCD-PPWQZUPISA-N 1 0 253.430 3.342 10 0 CGAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000252186178 287839602 /nfs/dbraw/zinc/83/96/02/287839602.db2.gz UIAGRPWYKFNYTM-IIMNLJJBSA-N 1 0 280.209 3.304 10 0 CGAERO CC(C)n1cncc1C[NH2+][C@H]1CCc2ccccc21 ZINC000090207655 275791267 /nfs/dbraw/zinc/79/12/67/275791267.db2.gz CGLKTOLECMALIU-INIZCTEOSA-N 1 0 255.365 3.241 10 0 CGAERO CC1(C)CCCC[C@H]1[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089732451 275812539 /nfs/dbraw/zinc/81/25/39/275812539.db2.gz TULKTHRJNPBQGM-HUUCEWRRSA-N 1 0 288.439 3.004 10 0 CGAERO CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2CCCC[C@@H]2CO)C1 ZINC000300728556 275924901 /nfs/dbraw/zinc/92/49/01/275924901.db2.gz KCKYXBCIJKDUJW-HNKHHVNMSA-N 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ZINC000757182880 617834427 /nfs/dbraw/zinc/83/44/27/617834427.db2.gz AWGWHUFIKZLKFL-JKSUJKDBSA-N 1 0 289.419 3.455 10 0 CGAERO CC(C)(C)OC(=O)N1CCC[C@]2(CCC[C@H]2CC[NH3+])C1 ZINC000757196393 617842305 /nfs/dbraw/zinc/84/23/05/617842305.db2.gz XHXIULAVJZOSTQ-XJKSGUPXSA-N 1 0 282.428 3.153 10 0 CGAERO CCOc1ccccc1[C@H](C)[NH2+]CC(OCC)OCC ZINC000093446864 618195142 /nfs/dbraw/zinc/19/51/42/618195142.db2.gz CNHNPMNWNVHBOJ-ZDUSSCGKSA-N 1 0 281.396 3.135 10 0 CGAERO Cc1ccccc1[C@H]([NH2+][C@@H]1CCN(C)C1)c1ccccc1 ZINC000093248841 619176924 /nfs/dbraw/zinc/17/69/24/619176924.db2.gz JWQGGXLYWORSCH-IEBWSBKVSA-N 1 0 280.415 3.378 10 0 CGAERO C([NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)C1CCCCCCC1 ZINC000261937409 619487428 /nfs/dbraw/zinc/48/74/28/619487428.db2.gz MLDAPCPZYBBMCG-RCCFBDPRSA-N 1 0 294.483 3.094 10 0 CGAERO C[C@H](C[NH2+]Cc1ccccc1)N(C)C(=O)OC(C)(C)C ZINC000306787538 619660448 /nfs/dbraw/zinc/66/04/48/619660448.db2.gz MVAKJWOLUUXKIS-CYBMUJFWSA-N 1 0 278.396 3.032 10 0 CGAERO [NH3+]Cc1nccc2c(Cl)cc(Br)cc21 ZINC000521401046 619932022 /nfs/dbraw/zinc/93/20/22/619932022.db2.gz JLCFEHKFBMZUHH-UHFFFAOYSA-N 1 0 271.545 3.109 10 0 CGAERO CC[C@H](C)c1noc([C@H](C)[C@@H]([NH3+])c2ccccc2)n1 ZINC000229099368 623099269 /nfs/dbraw/zinc/09/92/69/623099269.db2.gz AFJQETGAVNJPNX-DMDPSCGWSA-N 1 0 259.353 3.387 10 0 CGAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1C[Si](C)(C)C ZINC000171746626 623187759 /nfs/dbraw/zinc/18/77/59/623187759.db2.gz WOUFGPKJOZPXAG-CYBMUJFWSA-N 1 0 265.477 3.051 10 0 CGAERO COC1CC([NH2+][C@@H](C)c2cnc3ccsc3c2)C1 ZINC000230673008 623259551 /nfs/dbraw/zinc/25/95/51/623259551.db2.gz KGCHIUYQSKDUAW-GCVQQVDUSA-N 1 0 262.378 3.124 10 0 CGAERO Cc1ccc(-c2nc(C[C@H]3CCC[NH2+]C3)no2)cc1Cl ZINC000063084799 623295105 /nfs/dbraw/zinc/29/51/05/623295105.db2.gz LKFBHXJKTNJYAY-LLVKDONJSA-N 1 0 291.782 3.241 10 0 CGAERO CCN(CC[NH2+]CCc1ccccc1)C(=O)OC(C)(C)C ZINC000232007662 623352294 /nfs/dbraw/zinc/35/22/94/623352294.db2.gz YZUPKEBWDZNRML-UHFFFAOYSA-N 1 0 292.423 3.076 10 0 CGAERO CC1(C)C[C@@H]1C[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000232928764 624453638 /nfs/dbraw/zinc/45/36/38/624453638.db2.gz CDKQNLMYXJMOEN-OLZOCXBDSA-N 1 0 287.325 3.375 10 0 CGAERO CCCCCCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000175044914 624611055 /nfs/dbraw/zinc/61/10/55/624611055.db2.gz YDZIBAYEIWJAQK-GJZGRUSLSA-N 1 0 266.429 3.042 10 0 CGAERO Cc1cc(Cl)cc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1O ZINC000180262465 624732891 /nfs/dbraw/zinc/73/28/91/624732891.db2.gz DFHKNYTUESHWPU-WFASDCNBSA-N 1 0 294.826 3.023 10 0 CGAERO C[C@H]1C[C@]2(C[NH2+]C[C@@H]2C(=O)OC(C)(C)C)CC(C)(C)C1 ZINC000757186100 630588384 /nfs/dbraw/zinc/58/83/84/630588384.db2.gz VWXDRPVMKHARKP-PBFPGSCMSA-N 1 0 281.440 3.380 10 0 CGAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)s1 ZINC000757192262 630588683 /nfs/dbraw/zinc/58/86/83/630588683.db2.gz WPZUQVJCNQWFQD-RKDXNWHRSA-N 1 0 287.812 3.046 10 0 CGAERO CCC[N@@H+]1CCC[C@H]([C@H]2CC[C@H](C(F)(F)F)NC2)C1 ZINC000757571062 630621578 /nfs/dbraw/zinc/62/15/78/630621578.db2.gz JEZOCRCMOSTASW-RWMBFGLXSA-N 1 0 278.362 3.039 10 0 CGAERO c1cc(OC2CCCC2)ccc1NC[C@@H]1CCC[NH2+]C1 ZINC000130924705 636532466 /nfs/dbraw/zinc/53/24/66/636532466.db2.gz RBFTWVCDYMGNGI-CQSZACIVSA-N 1 0 274.408 3.420 10 0 CGAERO CC(C)C[C@@H]1C[C@@H](CC[NH3+])CCN1C(=O)OC(C)(C)C ZINC000218989331 637488671 /nfs/dbraw/zinc/48/86/71/637488671.db2.gz LELRJFVQLCOEND-UONOGXRCSA-N 1 0 284.444 3.397 10 0 CGAERO C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1ncc[nH]1 ZINC000138914807 637682170 /nfs/dbraw/zinc/68/21/70/637682170.db2.gz IVXRBPZRKBQWQG-IDKOKCKLSA-N 1 0 261.291 3.181 10 0 CGAERO CC(C)C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000040775918 639896656 /nfs/dbraw/zinc/89/66/56/639896656.db2.gz VVTBAQCGKKYMIJ-ZJIFWQFVSA-N 1 0 253.430 3.342 10 0 CGAERO CCCC[N@H+](C)C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000042245040 639913474 /nfs/dbraw/zinc/91/34/74/639913474.db2.gz RRFWZAXPARVWIK-CYBMUJFWSA-N 1 0 275.314 3.471 10 0 CGAERO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC3(CCC3)C(=O)O2)cc1F ZINC000192161227 640353950 /nfs/dbraw/zinc/35/39/50/640353950.db2.gz PGMSKOYEPGIVEU-GXTWGEPZSA-N 1 0 291.366 3.271 10 0 CGAERO [NH3+]C[C@@H]1CCCC[C@@H]1c1nc(-c2ccccc2F)no1 ZINC000089383592 640643118 /nfs/dbraw/zinc/64/31/18/640643118.db2.gz NTCBHKIPAMRWMW-QWRGUYRKSA-N 1 0 275.327 3.108 10 0 CGAERO Cc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C[NH3+])c1C ZINC000089386730 640643225 /nfs/dbraw/zinc/64/32/25/640643225.db2.gz JOAXYPVROVMHLQ-ZIAGYGMSSA-N 1 0 260.381 3.007 10 0 CGAERO [NH3+]C[C@H]1CCCC[C@H]1c1nc(Cc2cccc(F)c2)no1 ZINC000089383497 640643644 /nfs/dbraw/zinc/64/36/44/640643644.db2.gz LJJLHGHVZOPRGO-TZMCWYRMSA-N 1 0 289.354 3.032 10 0 CGAERO Cc1ccc(F)cc1-c1noc([C@H]2CCC[C@H]2C[NH3+])n1 ZINC000089431146 640645892 /nfs/dbraw/zinc/64/58/92/640645892.db2.gz MGNJYMGABHPIOI-JQWIXIFHSA-N 1 0 275.327 3.027 10 0 CGAERO CCCCCC[C@H](C)CC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000246259405 640667780 /nfs/dbraw/zinc/66/77/80/640667780.db2.gz KWMLNRRHQXUFTM-KKUMJFAQSA-N 1 0 268.445 3.227 10 0 CGAERO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H]1COc2ccccc21 ZINC000093516573 640773397 /nfs/dbraw/zinc/77/33/97/640773397.db2.gz FYUGDRFEKNNTQV-IIAWOOMASA-N 1 0 274.408 3.021 10 0 CGAERO C(=C\c1ccccc1)\C[NH2+]CC1CCC2(CC1)OCCO2 ZINC000588594472 799718932 /nfs/dbraw/zinc/71/89/32/799718932.db2.gz CKHYLEDYGURDTA-DAXSKMNVSA-N 1 0 287.403 3.223 10 0 CGAERO CCCc1nc(-c2ccc(OC)c(OC)c2)sc1C[NH3+] ZINC000082428453 178004105 /nfs/dbraw/zinc/00/41/05/178004105.db2.gz NOSJYWACNYZKDU-UHFFFAOYSA-N 1 0 292.404 3.239 10 0 CGAERO CC[NH+](CC)CCN[C@H]1CC(C)(C)Oc2ccccc21 ZINC000082504823 178068962 /nfs/dbraw/zinc/06/89/62/178068962.db2.gz FNXXGRHYGRISMC-HNNXBMFYSA-N 1 0 276.424 3.220 10 0 CGAERO [NH3+]CCCCc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000082574299 178114124 /nfs/dbraw/zinc/11/41/24/178114124.db2.gz BCWXADDRWBZCJR-UHFFFAOYSA-N 1 0 268.332 3.370 10 0 CGAERO O[C@H](c1cc2cc(Cl)ccc2o1)C1CC[NH2+]CC1 ZINC000083160758 178345394 /nfs/dbraw/zinc/34/53/94/178345394.db2.gz ITNWYFRGVADKBO-AWEZNQCLSA-N 1 0 265.740 3.119 10 0 CGAERO Cc1ccc([C@H](O)[C@@H]2CCC[NH2+]C2)c2ccccc12 ZINC000083166045 178347910 /nfs/dbraw/zinc/34/79/10/178347910.db2.gz YJJMUEVQPWSDGC-CXAGYDPISA-N 1 0 255.361 3.181 10 0 CGAERO CC[C@@H]1CN[C@@H](C(C)C)C[N@@H+]1C1CCCCCC1 ZINC000083393775 178402272 /nfs/dbraw/zinc/40/22/72/178402272.db2.gz FTZWCMRWVXEBPF-GDBMZVCRSA-N 1 0 252.446 3.418 10 0 CGAERO [NH3+][C@H]1CCCN(Cc2ccccc2)[C@H]1c1ccccc1 ZINC000096947881 185138084 /nfs/dbraw/zinc/13/80/84/185138084.db2.gz VVXYYKWVMSGEJM-ROUUACIJSA-N 1 0 266.388 3.351 10 0 CGAERO [NH3+]Cc1coc(-c2ccc(Br)cc2)c1 ZINC000096960048 185142415 /nfs/dbraw/zinc/14/24/15/185142415.db2.gz PKERQBUQPZASMN-UHFFFAOYSA-N 1 0 252.111 3.168 10 0 CGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H](C)CC1CCCC1 ZINC000174989362 529406395 /nfs/dbraw/zinc/40/63/95/529406395.db2.gz PIPKENNKPLXMMH-USXIJHARSA-N 1 0 292.467 3.288 10 0 CGAERO Cc1ncsc1C[NH2+][C@H]1CCOc2ccccc21 ZINC000071212539 282234923 /nfs/dbraw/zinc/23/49/23/282234923.db2.gz XHWPFAFVOMEATH-LBPRGKRZSA-N 1 0 260.362 3.065 10 0 CGAERO COc1ccccc1/C=C/C[N@@H+]1CCC[C@H]1Cn1ccnc1 ZINC000188403305 542247682 /nfs/dbraw/zinc/24/76/82/542247682.db2.gz GYMUYUVINKZHSA-PFWMLDTASA-N 1 0 297.402 3.070 10 0 CGAERO COc1cc2c(c(Cl)c1OC)CC[NH2+][C@H]2C(C)C ZINC000083625349 178640553 /nfs/dbraw/zinc/64/05/53/178640553.db2.gz VYJKJDNSRPQMRO-ZDUSSCGKSA-N 1 0 269.772 3.200 10 0 CGAERO CC(C)[NH2+]CCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000037618740 344952027 /nfs/dbraw/zinc/95/20/27/344952027.db2.gz PYJDEEVILRVLQQ-CQSZACIVSA-N 1 0 288.435 3.131 10 0 CGAERO C[C@@H]([NH3+])[C@H](C)Cc1ccc(F)cc1Br ZINC000037947515 344954156 /nfs/dbraw/zinc/95/41/56/344954156.db2.gz KTKQOPYXMQEWJZ-HTQZYQBOSA-N 1 0 260.150 3.114 10 0 CGAERO COc1ccc2ccc(OC)c3c2c1CC[C@H]3CC[NH3+] ZINC000039081919 344957394 /nfs/dbraw/zinc/95/73/94/344957394.db2.gz FEKQJAVKVRALFK-LBPRGKRZSA-N 1 0 271.360 3.236 10 0 CGAERO [NH3+][C@H](c1ccoc1)c1ccc(Br)s1 ZINC000040236053 344961618 /nfs/dbraw/zinc/96/16/18/344961618.db2.gz SHBWYCZOFRZULQ-SECBINFHSA-N 1 0 258.140 3.152 10 0 CGAERO [NH3+]C[C@H]1Cc2cc(Cl)cc(-c3ccccc3F)c2O1 ZINC000034498460 344940334 /nfs/dbraw/zinc/94/03/34/344940334.db2.gz IPHZDGZQGNILBX-LLVKDONJSA-N 1 0 277.726 3.408 10 0 CGAERO CCC[NH+](CCC)[C@@H]1CNc2c(cccc2OC)C1 ZINC000034741368 344940901 /nfs/dbraw/zinc/94/09/01/344940901.db2.gz SKGHMFMXSGKGRB-AWEZNQCLSA-N 1 0 262.397 3.154 10 0 CGAERO COc1ccc2ccccc2c1C[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000037165453 344948047 /nfs/dbraw/zinc/94/80/47/344948047.db2.gz QHFSVTGYNBBINV-HUUCEWRRSA-N 1 0 285.387 3.242 10 0 CGAERO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)c1cnn(C)c1 ZINC000044497735 345011419 /nfs/dbraw/zinc/01/14/19/345011419.db2.gz PTDNQJNPZNOXEG-ADEWGFFLSA-N 1 0 275.318 3.192 10 0 CGAERO Cc1cc([C@@H]([NH3+])CCO)cc(C)c1OCc1ccccc1 ZINC000044233371 345006832 /nfs/dbraw/zinc/00/68/32/345006832.db2.gz IWMDYBBLKRWPFP-KRWDZBQOSA-N 1 0 285.387 3.265 10 0 CGAERO Cc1cc(C)c([C@@H](O)[C@@H]([NH3+])Cc2ccccc2)c(C)c1 ZINC000054686048 345138134 /nfs/dbraw/zinc/13/81/34/345138134.db2.gz DEAGFAYVZMWIAT-WMZOPIPTSA-N 1 0 269.388 3.215 10 0 CGAERO C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1 ZINC000059782350 345209270 /nfs/dbraw/zinc/20/92/70/345209270.db2.gz ZMZUDHKTYXFEJQ-LURJTMIESA-N 1 0 293.002 3.492 10 0 CGAERO [NH3+][C@H](c1cc(F)c(Br)cc1F)C1CC1 ZINC000070022616 345387721 /nfs/dbraw/zinc/38/77/21/345387721.db2.gz HAHAYHHQTAAMGL-JTQLQIEISA-N 1 0 262.097 3.137 10 0 CGAERO C[NH2+]CCC1CCN(c2nc3ccccc3cc2C)CC1 ZINC000070190083 345389613 /nfs/dbraw/zinc/38/96/13/345389613.db2.gz MAMUETJWKLTIFQ-UHFFFAOYSA-N 1 0 283.419 3.369 10 0 CGAERO Cc1ccc([C@H](C)NC(=O)CC[C@H]2CCC[NH2+]C2)cc1F ZINC000094956592 345899373 /nfs/dbraw/zinc/89/93/73/345899373.db2.gz LOQFNXCNJVNEJD-UONOGXRCSA-N 1 0 292.398 3.091 10 0 CGAERO Cn1c(C[N@H+](C2CC2)C2CCCC2)nnc1-c1ccccc1 ZINC000103465942 345921643 /nfs/dbraw/zinc/92/16/43/345921643.db2.gz QUMGLXORRVRCQM-UHFFFAOYSA-N 1 0 296.418 3.389 10 0 CGAERO Cc1cccc(C[NH2+]Cc2ccnc3ccccc23)n1 ZINC000111763544 345950868 /nfs/dbraw/zinc/95/08/68/345950868.db2.gz NNSXUGYQPRBUCB-UHFFFAOYSA-N 1 0 263.344 3.228 10 0 CGAERO c1ccc([C@@H]2C[C@@H](N3CC[NH2+]CC3)c3ccccc32)cc1 ZINC000114906491 345967343 /nfs/dbraw/zinc/96/73/43/345967343.db2.gz QPABODDHXQJCDN-RBUKOAKNSA-N 1 0 278.399 3.169 10 0 CGAERO CC(C)(C)OC(=O)N1CCC(CCC2CC[NH2+]CC2)CC1 ZINC000116452744 345977938 /nfs/dbraw/zinc/97/79/38/345977938.db2.gz PHIKYAZZSFUWIW-UHFFFAOYSA-N 1 0 296.455 3.413 10 0 CGAERO CCOc1ccc([C@H](C)[NH2+][C@@H]2CN(C(C)C)C[C@@H]2C)cc1 ZINC000119392365 345993331 /nfs/dbraw/zinc/99/33/31/345993331.db2.gz SZFCRVRQXCBGLL-RLFYNMQTSA-N 1 0 290.451 3.465 10 0 CGAERO CCNC(=[NH2+])c1ccc(Cl)c(Br)c1 ZINC000126880687 346027262 /nfs/dbraw/zinc/02/72/62/346027262.db2.gz GLZSEJFGHDZDHQ-UHFFFAOYSA-N 1 0 261.550 3.037 10 0 CGAERO [NH3+][C@@H](CC1CCC1)c1ncccc1Br ZINC000133198511 346076549 /nfs/dbraw/zinc/07/65/49/346076549.db2.gz LMAYXGDHLCGULN-JTQLQIEISA-N 1 0 255.159 3.034 10 0 CGAERO Cc1ccccc1-c1ccc(F)c2c1O[C@@H](C[NH3+])C2 ZINC000137262724 346093318 /nfs/dbraw/zinc/09/33/18/346093318.db2.gz ALELAJPEDWZREY-LLVKDONJSA-N 1 0 257.308 3.063 10 0 CGAERO [NH3+][C@H]1CC[C@@](F)(c2cscc2Br)C1 ZINC000158303263 346164301 /nfs/dbraw/zinc/16/43/01/346164301.db2.gz IGVWRDYAAKSDKM-RCOVLWMOSA-N 1 0 264.163 3.187 10 0 CGAERO C[C@H]1CCS[C@]2(CCC[N@H+](Cc3ccccc3)C2)N1 ZINC000159150980 346166872 /nfs/dbraw/zinc/16/68/72/346166872.db2.gz LTQKCACAWLVDQH-HOCLYGCPSA-N 1 0 276.449 3.094 10 0 CGAERO C[NH2+][C@@H](C)c1c(F)cc(Br)cc1F ZINC000162747665 346179488 /nfs/dbraw/zinc/17/94/88/346179488.db2.gz AKBUHBLCIPABTI-YFKPBYRVSA-N 1 0 250.086 3.008 10 0 CGAERO [NH3+]C[C@@H]1Cc2ccc(F)c(-c3ccccc3Cl)c2O1 ZINC000166368043 346185897 /nfs/dbraw/zinc/18/58/97/346185897.db2.gz PFJRQCJJIYXWRL-JTQLQIEISA-N 1 0 277.726 3.408 10 0 CGAERO C[N@H+]1Cc2ccccc2[C@H](c2ccc3ccnnc3c2)C1 ZINC000166281740 346186121 /nfs/dbraw/zinc/18/61/21/346186121.db2.gz AANQJUJEVSDSFA-KRWDZBQOSA-N 1 0 275.355 3.207 10 0 CGAERO Cc1csc([C@H]2C[NH2+]Cc3c(C)cc(Cl)nc3O2)n1 ZINC000166137332 346186329 /nfs/dbraw/zinc/18/63/29/346186329.db2.gz KNIWMLDCJWCFGZ-SNVBAGLBSA-N 1 0 295.795 3.032 10 0 CGAERO CCC[C@@H]([NH3+])c1csc(I)c1 ZINC000167385041 346189037 /nfs/dbraw/zinc/18/90/37/346189037.db2.gz FRNXGJFHNYCPKX-SSDOTTSWSA-N 1 0 281.162 3.153 10 0 CGAERO C[C@@H]1C[C@H]1[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000174418817 346241917 /nfs/dbraw/zinc/24/19/17/346241917.db2.gz VLVKSGOWCREOKP-BYCMXARLSA-N 1 0 295.810 3.396 10 0 CGAERO C[C@H](CCc1ccccc1)[NH2+]CC(=O)c1cccc(O)c1 ZINC000220371513 346295991 /nfs/dbraw/zinc/29/59/91/346295991.db2.gz UVMFZCQETMCDRQ-CQSZACIVSA-N 1 0 283.371 3.186 10 0 CGAERO Nc1ccc(OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(F)c1 ZINC000224889284 346302147 /nfs/dbraw/zinc/30/21/47/346302147.db2.gz MJPGNLJUEJRUOL-SWLSCSKDSA-N 1 0 278.371 3.051 10 0 CGAERO CC1(C)C[C@H]1[C@@H]([NH3+])Cc1sccc1Br ZINC000232990798 346328787 /nfs/dbraw/zinc/32/87/87/346328787.db2.gz HTGALLAXEBCVHN-CBAPKCEASA-N 1 0 274.227 3.427 10 0 CGAERO CC[NH2+][C@H]1CCc2c1c(F)ccc2Br ZINC000233640404 346329772 /nfs/dbraw/zinc/32/97/72/346329772.db2.gz GKZIJLNNKPXHFT-JTQLQIEISA-N 1 0 258.134 3.185 10 0 CGAERO CC[C@H]([NH3+])c1ccc(F)c(F)c1Br ZINC000227104320 346307829 /nfs/dbraw/zinc/30/78/29/346307829.db2.gz HIWRYGZEBQAXNW-ZETCQYMHSA-N 1 0 250.086 3.137 10 0 CGAERO [NH3+]C[C@@H]1C[C@@H]1c1cc(Br)c(Cl)s1 ZINC000227955253 346312144 /nfs/dbraw/zinc/31/21/44/346312144.db2.gz NPHRJIVHBFJTTJ-WHFBIAKZSA-N 1 0 266.591 3.226 10 0 CGAERO COc1ccc([C@H]2C[C@@H]([NH3+])c3ccccc3O2)cc1OC ZINC000229094022 346316478 /nfs/dbraw/zinc/31/64/78/346316478.db2.gz FRSNCCFGBBOJSG-CZUORRHYSA-N 1 0 285.343 3.227 10 0 CGAERO [NH3+][C@H]1CCC[C@H]1c1cccc(Br)c1F ZINC000229828549 346319350 /nfs/dbraw/zinc/31/93/50/346319350.db2.gz NNGREOBEGXPGCG-XVKPBYJWSA-N 1 0 258.134 3.183 10 0 CGAERO Cc1cc2[nH+]ccc(N)c2c(C)c1Br ZINC000232052087 346324980 /nfs/dbraw/zinc/32/49/80/346324980.db2.gz SDUOOXBOWDOHHF-UHFFFAOYSA-N 1 0 251.127 3.196 10 0 CGAERO Cc1cc2ccccc2nc1N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252851250 346392762 /nfs/dbraw/zinc/39/27/62/346392762.db2.gz IAODJBOPUULVFN-JYJNAYRXSA-N 1 0 281.403 3.107 10 0 CGAERO C[NH2+]C[C@H]1[C@@H](c2ccc(Br)o2)C1(C)C ZINC000300928854 346438401 /nfs/dbraw/zinc/43/84/01/346438401.db2.gz FJIYSRMKHOUZRP-XVKPBYJWSA-N 1 0 258.159 3.001 10 0 CGAERO CC1(C)[C@@H]([NH3+])[C@]1(C)c1ccc(Br)s1 ZINC000300954871 346439153 /nfs/dbraw/zinc/43/91/53/346439153.db2.gz HLPMANQAUNMDOO-SCZZXKLOSA-N 1 0 260.200 3.135 10 0 CGAERO CC(C)(C)[C@H](O)C[NH2+]CC(C)(C)c1cccs1 ZINC000302376135 346441305 /nfs/dbraw/zinc/44/13/05/346441305.db2.gz LLZWTBMPYSVIEC-LLVKDONJSA-N 1 0 255.427 3.022 10 0 CGAERO [NH3+]C[C@@H]1CC[C@@H](c2cc(Cl)sc2Cl)O1 ZINC000306245245 346452271 /nfs/dbraw/zinc/45/22/71/346452271.db2.gz UXIZCKUTANZUMH-FSPLSTOPSA-N 1 0 252.166 3.234 10 0 CGAERO Cc1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000306344494 346452982 /nfs/dbraw/zinc/45/29/82/346452982.db2.gz MXXOEYRBTKBQSD-MRXNPFEDSA-N 1 0 267.376 3.076 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CC(C)n1cccc1C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000122504430 187035447 /nfs/dbraw/zinc/03/54/47/187035447.db2.gz YLEUKVSFZNQDOL-INIZCTEOSA-N 1 0 299.418 3.102 10 0 CGAERO c1sc(C[NH2+][C@H]2C[C@H]3CC[C@@H]2O3)nc1-c1ccccc1 ZINC000152985979 188058047 /nfs/dbraw/zinc/05/80/47/188058047.db2.gz MNULOBJUPLRQJS-IPYPFGDCSA-N 1 0 286.400 3.220 10 0 CGAERO CCCC[C@H](C)[NH2+][C@H]1C[C@@H](OCC)C12CCOCC2 ZINC000248625632 282936379 /nfs/dbraw/zinc/93/63/79/282936379.db2.gz DBGWMJYVGGEOLE-SOUVJXGZSA-N 1 0 269.429 3.129 10 0 CGAERO C[C@H](N[C@H](C[NH+](C)C)c1ccccc1)c1cscn1 ZINC000162336013 188569222 /nfs/dbraw/zinc/56/92/22/188569222.db2.gz DHTPCLBNDNMCNP-GXTWGEPZSA-N 1 0 275.421 3.097 10 0 CGAERO Cn1cccc1C[N@H+]1CC=C(c2cccs2)CC1 ZINC000093533840 138347543 /nfs/dbraw/zinc/34/75/43/138347543.db2.gz DVRWUVHZULTJAB-UHFFFAOYSA-N 1 0 258.390 3.376 10 0 CGAERO O=C(Nc1cccc2c1C[NH2+]CC2)C1CCCCCC1 ZINC000123535950 138368133 /nfs/dbraw/zinc/36/81/33/138368133.db2.gz KRVPWOULKZLMPE-UHFFFAOYSA-N 1 0 272.392 3.241 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DKMDQBMBSKIOLB-HNNXBMFYSA-N 1 0 270.461 3.138 10 0 CGAERO CC[C@H]([NH2+]CCn1cc(Br)cn1)C(C)(C)C ZINC000310042085 138581343 /nfs/dbraw/zinc/58/13/43/138581343.db2.gz ZEZAOJMSUYSEFL-NSHDSACASA-N 1 0 288.233 3.060 10 0 CGAERO C[C@H](COCc1ccccc1)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000178065657 189088703 /nfs/dbraw/zinc/08/87/03/189088703.db2.gz PDZXRZXXNPWVCS-KGLIPLIRSA-N 1 0 288.366 3.477 10 0 CGAERO Cc1nccn1C[C@@H]1CCC[N@H+]1C[C@@H](C)c1ccccc1 ZINC000178331572 189107546 /nfs/dbraw/zinc/10/75/46/189107546.db2.gz NVBANZWJEDQYRC-QAPCUYQASA-N 1 0 283.419 3.460 10 0 CGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cccc(C)c1 ZINC000178286315 189102615 /nfs/dbraw/zinc/10/26/15/189102615.db2.gz OOEUNLIFWBYQOM-QGZVFWFLSA-N 1 0 269.392 3.165 10 0 CGAERO Cn1cc([C@@H]2CC[N@H+](Cc3cc4ccccc4o3)C2)cn1 ZINC000178536697 189125199 /nfs/dbraw/zinc/12/51/99/189125199.db2.gz IWRVZXWTAWRXCZ-CQSZACIVSA-N 1 0 281.359 3.156 10 0 CGAERO COCc1cccc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000179237097 189180239 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GEOLZSVBSSQOHC-ZDUSSCGKSA-N 1 0 299.374 3.053 10 0 CGAERO C[C@H]([NH2+][C@H]1CCCCC[C@@H]1O)c1ccc(Cl)cn1 ZINC000348738636 379036091 /nfs/dbraw/zinc/03/60/91/379036091.db2.gz AEBFTBYFNXSCDG-BPNCWPANSA-N 1 0 268.788 3.079 10 0 CGAERO CCOc1ccc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000282098306 379852932 /nfs/dbraw/zinc/85/29/32/379852932.db2.gz CZMARELQZPLMGT-MIFYACCESA-N 1 0 277.408 3.379 10 0 CGAERO CCCOc1cncc(-c2ccc(C[NH3+])c(C)c2)c1 ZINC000395478759 379921153 /nfs/dbraw/zinc/92/11/53/379921153.db2.gz KRQZFHDCPQIPPN-UHFFFAOYSA-N 1 0 256.349 3.305 10 0 CGAERO [NH3+]CCCn1cc(-c2ccc(C3CCC3)cc2)cn1 ZINC000382167993 379871173 /nfs/dbraw/zinc/87/11/73/379871173.db2.gz PCJZSCCIZQFNRE-UHFFFAOYSA-N 1 0 255.365 3.166 10 0 CGAERO CC1(C)[C@H]([NH2+]C[C@H]2CCCC2(C)C)[C@@H]2CCO[C@@H]21 ZINC000388841535 379890023 /nfs/dbraw/zinc/89/00/23/379890023.db2.gz HKHVIWHUGBQHGP-RQJABVFESA-N 1 0 251.414 3.216 10 0 CGAERO CCc1ccc([C@H](C)[NH2+][C@@H]2CCN(CC)C2)s1 ZINC000389245802 379896440 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CC(C)[N@@H+](Cc1ccccc1)C[C@H]1CCC[C@H](O)C1 ZINC000309805469 542427850 /nfs/dbraw/zinc/42/78/50/542427850.db2.gz UHOFPEUWGHCJER-IRXDYDNUSA-N 1 0 261.409 3.448 10 0 CGAERO O[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCc2c1cccc2F ZINC000252894469 285309675 /nfs/dbraw/zinc/30/96/75/285309675.db2.gz ZGNPMALJXBQMKW-HRCADAONSA-N 1 0 263.356 3.096 10 0 CGAERO Clc1nc2ccccc2nc1SC[C@H]1CCC[NH2+]C1 ZINC000095069812 184931189 /nfs/dbraw/zinc/93/11/89/184931189.db2.gz LMOFVHZSRGERCN-JTQLQIEISA-N 1 0 293.823 3.375 10 0 CGAERO Clc1ccc(COCCC[C@H]2CCC[NH2+]C2)cn1 ZINC000095069870 184931896 /nfs/dbraw/zinc/93/18/96/184931896.db2.gz XQYMCIWHLUIQQG-GFCCVEGCSA-N 1 0 268.788 3.031 10 0 CGAERO Cc1ccccc1[C@H]([NH2+]C[C@H](C)O)c1ccccc1 ZINC000105692754 392294396 /nfs/dbraw/zinc/29/43/96/392294396.db2.gz WIOOVQNYQNGAPJ-WMLDXEAASA-N 1 0 255.361 3.055 10 0 CGAERO CCc1nccn1[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000106217655 392299526 /nfs/dbraw/zinc/29/95/26/392299526.db2.gz XHORKXCIRSUCNO-INIZCTEOSA-N 1 0 269.392 3.283 10 0 CGAERO COc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H]2SC)cc1OC ZINC000361945514 392372150 /nfs/dbraw/zinc/37/21/50/392372150.db2.gz MGSWIYITAYTAMP-WBIUFABUSA-N 1 0 281.421 3.248 10 0 CGAERO C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116322548 392390122 /nfs/dbraw/zinc/39/01/22/392390122.db2.gz NBLVDVSAJILRLM-NEPJUHHUSA-N 1 0 291.345 3.249 10 0 CGAERO CC(C)CC[C@@H]1CCCCN1Cc1nnnn1C(C)C ZINC000158124711 392556165 /nfs/dbraw/zinc/55/61/65/392556165.db2.gz MZZPCXIBOMPEAA-AWEZNQCLSA-N 1 0 279.432 3.045 10 0 CGAERO C[C@@H]1CC(c2occc2Br)=C[C@H]([NH3+])C1 ZINC000306497123 392639190 /nfs/dbraw/zinc/63/91/90/392639190.db2.gz ZRPUVEYJKKCGOW-VXNVDRBHSA-N 1 0 256.143 3.183 10 0 CGAERO C=Cn1cc(C[NH2+][C@@H]2c3cc(C)ccc3C[C@@H]2C)cn1 ZINC000194412924 392919061 /nfs/dbraw/zinc/91/90/61/392919061.db2.gz QFZVHEKMVPLWMQ-GUYCJALGSA-N 1 0 267.376 3.315 10 0 CGAERO C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)[C@@H]1CC2CCC1CC2 ZINC000381670908 392911740 /nfs/dbraw/zinc/91/17/40/392911740.db2.gz LCHKVLUQDKMYCD-HKKVPVCXSA-N 1 0 253.430 3.198 10 0 CGAERO C[C@H]([NH2+]CC[C@@H]1CCCO1)[C@H]1CC2CCC1CC2 ZINC000381587022 392912175 /nfs/dbraw/zinc/91/21/75/392912175.db2.gz CVEHJTVSVFNHID-NXSPZCGBSA-N 1 0 251.414 3.360 10 0 CGAERO Cc1ccc(OCCC[NH2+][C@@H](C)[C@H]2CCCO2)cc1C ZINC000193120212 392870105 /nfs/dbraw/zinc/87/01/05/392870105.db2.gz IXAHFVZXIPBLLX-DOTOQJQBSA-N 1 0 277.408 3.229 10 0 CGAERO CCCCOC[C@H](O)C[N@@H+]1Cc2ccccc2C[C@@H]1CC ZINC000195219183 392962432 /nfs/dbraw/zinc/96/24/32/392962432.db2.gz LEENPZALUUWNHN-ZWKOTPCHSA-N 1 0 291.435 3.001 10 0 CGAERO CCCCOC[C@@H](O)C[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000195213311 392962799 /nfs/dbraw/zinc/96/27/99/392962799.db2.gz FKETVDXSJZYTKL-RDJZCZTQSA-N 1 0 293.451 3.120 10 0 CGAERO CCc1nnc(CN(Cc2ccccc2)[C@H](C)C2CC2)n1C ZINC000195070841 392954899 /nfs/dbraw/zinc/95/48/99/392954899.db2.gz QOERZODYEGUJBL-CQSZACIVSA-N 1 0 298.434 3.178 10 0 CGAERO CC(C)(C)OC(=O)N1CCCC[C@H]1C1CCC([NH3+])CC1 ZINC000216004142 392989298 /nfs/dbraw/zinc/98/92/98/392989298.db2.gz OCIPOYFLLMICHV-RUXDESIVSA-N 1 0 282.428 3.294 10 0 CGAERO O[C@]12CCCC[C@H]1C[N@H+](Cc1cc(F)cc(F)c1)CC2 ZINC000219822890 393002216 /nfs/dbraw/zinc/00/22/16/393002216.db2.gz KVSBFTUUSGEHIV-BBRMVZONSA-N 1 0 281.346 3.092 10 0 CGAERO CC[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1cccc(F)c1 ZINC000253235955 393128888 /nfs/dbraw/zinc/12/88/88/393128888.db2.gz NDQMOJFPRWEKHE-SOUVJXGZSA-N 1 0 251.345 3.170 10 0 CGAERO C[C@@H]1CC(C[NH2+][C@@H](C2CC2)C2CCC2)C[C@@H](C)O1 ZINC000453230422 394212541 /nfs/dbraw/zinc/21/25/41/394212541.db2.gz XHOXWSXIPBQHFM-XHBSWPGZSA-N 1 0 251.414 3.358 10 0 CGAERO CC[C@@H]1C[NH2+]CCN1c1cc(Cl)ccc1Cl ZINC000083086643 135014221 /nfs/dbraw/zinc/01/42/21/135014221.db2.gz KLRCNQLKMIMNIT-SNVBAGLBSA-N 1 0 259.180 3.182 10 0 CGAERO Cc1ccc(Cl)c(N2CC[NH2+]C[C@@H]2C(C)C)c1 ZINC000083394378 135018639 /nfs/dbraw/zinc/01/86/39/135018639.db2.gz GURYDEUHCNGYQW-CQSZACIVSA-N 1 0 252.789 3.083 10 0 CGAERO CC(C)[C@H]1C[NH2+]CCN1c1ccc(Cl)cc1Cl ZINC000083536536 135027873 /nfs/dbraw/zinc/02/78/73/135027873.db2.gz IWRXBDPQSIAGTL-CYBMUJFWSA-N 1 0 273.207 3.428 10 0 CGAERO CC[C@H]1C[NH2+]CCN1c1ccc(F)c(C(F)(F)F)c1 ZINC000083546857 135029141 /nfs/dbraw/zinc/02/91/41/135029141.db2.gz SHTIVXSNWZAPFL-VIFPVBQESA-N 1 0 276.277 3.033 10 0 CGAERO CC[C@H]1C[NH2+][C@H](C(C)C)CN1c1cc(C)ccc1OC ZINC000083549750 135029462 /nfs/dbraw/zinc/02/94/62/135029462.db2.gz MTUSEHHOAAAZLA-GJZGRUSLSA-N 1 0 276.424 3.216 10 0 CGAERO CCOc1cccc(N2C[C@H](CC)[NH2+]C[C@H]2C(C)C)c1 ZINC000083549904 135029738 /nfs/dbraw/zinc/02/97/38/135029738.db2.gz JGLRALVIPVHZKO-YOEHRIQHSA-N 1 0 276.424 3.298 10 0 CGAERO CC[C@H]1C[NH2+]CCN1c1ccc2c(c1)Cc1ccccc1-2 ZINC000083587292 135030082 /nfs/dbraw/zinc/03/00/82/135030082.db2.gz PNWOHWKLWDNZGM-INIZCTEOSA-N 1 0 278.399 3.446 10 0 CGAERO Cc1cc(C[NH2+]C[C@H]2CCCc3ccccc32)on1 ZINC000104325272 397650393 /nfs/dbraw/zinc/65/03/93/397650393.db2.gz VMNZRJVGVRMAGP-CQSZACIVSA-N 1 0 256.349 3.193 10 0 CGAERO CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000037626963 397608199 /nfs/dbraw/zinc/60/81/99/397608199.db2.gz MAFKOTHDWMLHMD-NEXFUWMNSA-N 1 0 280.456 3.225 10 0 CGAERO CC(C)COc1ccccc1NC(=O)C1CCC([NH3+])CC1 ZINC000037768425 397608414 /nfs/dbraw/zinc/60/84/14/397608414.db2.gz UHDXUZJRDBFYOE-UHFFFAOYSA-N 1 0 290.407 3.177 10 0 CGAERO CCCN(Cc1ccc(C)cc1)C(=O)C1CCC([NH3+])CC1 ZINC000037800436 397609234 /nfs/dbraw/zinc/60/92/34/397609234.db2.gz RHIDSFGBBOJDMJ-UHFFFAOYSA-N 1 0 288.435 3.251 10 0 CGAERO C[C@]1(Cc2ccsc2Br)CCC[NH2+]1 ZINC000306562939 397678254 /nfs/dbraw/zinc/67/82/54/397678254.db2.gz VESRNXYEZGRASK-SNVBAGLBSA-N 1 0 260.200 3.195 10 0 CGAERO CCn1nc(C)c([C@H](C)[NH2+][C@@H]2CCS[C@H]2C)c1C ZINC000386531191 397689362 /nfs/dbraw/zinc/68/93/62/397689362.db2.gz PCEUPIUWAZTDEN-TVYUQYBPSA-N 1 0 267.442 3.064 10 0 CGAERO C[C@@H](COCc1ccccc1)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000390572645 397692348 /nfs/dbraw/zinc/69/23/48/397692348.db2.gz CTNPLCJQTPZTRC-MPTYRVRUSA-N 1 0 277.408 3.137 10 0 CGAERO Cc1cc(Br)c2ccnc(C[NH3+])c2c1Cl ZINC000521401545 397711028 /nfs/dbraw/zinc/71/10/28/397711028.db2.gz WGYGJHAMQMVVJF-UHFFFAOYSA-N 1 0 285.572 3.418 10 0 CGAERO CCC(CC)[NH2+]Cc1csc(C(F)(F)F)n1 ZINC000675074986 543312906 /nfs/dbraw/zinc/31/29/06/543312906.db2.gz FDSWIGGVQAICDE-UHFFFAOYSA-N 1 0 252.305 3.440 10 0 CGAERO C[C@@H](NCC[C@H]1CCC[N@@H+]1C)c1cc(F)ccc1F ZINC000678738559 543552707 /nfs/dbraw/zinc/55/27/07/543552707.db2.gz FIJGPTDOHIJMAB-DGCLKSJQSA-N 1 0 268.351 3.100 10 0 CGAERO C[C@@H](C[NH2+][C@H]1CCCC[C@@H]1C)C(=O)OC(C)(C)C ZINC000107050215 286878667 /nfs/dbraw/zinc/87/86/67/286878667.db2.gz DNMOOCDFBZEBIM-AVGNSLFASA-N 1 0 255.402 3.133 10 0 CGAERO Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@H](C)C2CCCC2)c1 ZINC000070306482 286988021 /nfs/dbraw/zinc/98/80/21/286988021.db2.gz YOGUOAFBIXUAIE-WBVHZDCISA-N 1 0 291.435 3.211 10 0 CGAERO CCOC(=O)CCC[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000078514348 287049419 /nfs/dbraw/zinc/04/94/19/287049419.db2.gz XWOMBPRNOPZOCV-SNVBAGLBSA-N 1 0 287.762 3.473 10 0 CGAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000082491336 287079268 /nfs/dbraw/zinc/07/92/68/287079268.db2.gz UIAGRPWYKFNYTM-FZQKWOKYSA-N 1 0 280.209 3.304 10 0 CGAERO Cc1ccc([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)o1 ZINC000068527915 165046812 /nfs/dbraw/zinc/04/68/12/165046812.db2.gz PDJGWRNDRBJQDO-ZDUSSCGKSA-N 1 0 286.375 3.141 10 0 CGAERO CCC[C@H]1[C@H](C)CCC[N@@H+]1Cc1nnc(C2CC2)n1C ZINC000072775691 165073175 /nfs/dbraw/zinc/07/31/75/165073175.db2.gz VBZRVBFCOCPFHQ-OCCSQVGLSA-N 1 0 276.428 3.093 10 0 CGAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(Br)cc1 ZINC000077204267 165115229 /nfs/dbraw/zinc/11/52/29/165115229.db2.gz UZRVWGGVUMXSQC-TZMCWYRMSA-N 1 0 298.224 3.090 10 0 CGAERO Clc1ccc(CCC[N@@H+]2CCCN(C3CC3)CC2)cc1 ZINC000077316116 165120951 /nfs/dbraw/zinc/12/09/51/165120951.db2.gz DUMSJQCWDXZYSR-UHFFFAOYSA-N 1 0 292.854 3.443 10 0 CGAERO CCC(C)(C)C1CCC(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089451544 165207484 /nfs/dbraw/zinc/20/74/84/165207484.db2.gz IEQQMURUFCXMTN-SLTXQBBLSA-N 1 0 294.483 3.473 10 0 CGAERO CC(C)Cc1ccc([C@@H](C)NC(=O)C[C@H]2CC[NH2+]C2)cc1 ZINC000089741933 165214034 /nfs/dbraw/zinc/21/40/34/165214034.db2.gz FFHNFBRQLFGHBT-GDBMZVCRSA-N 1 0 288.435 3.062 10 0 CGAERO CCn1cncc1C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000090171966 165227487 /nfs/dbraw/zinc/22/74/87/165227487.db2.gz WIUYMQYBGSWEPK-QWRGUYRKSA-N 1 0 275.318 3.114 10 0 CGAERO CCn1cncc1C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000090172281 165228659 /nfs/dbraw/zinc/22/86/59/165228659.db2.gz ASUVUTAWJBMDEI-CQSZACIVSA-N 1 0 257.381 3.371 10 0 CGAERO C[C@H]([NH2+]CC1CC(O)C1)c1cccc2ccccc21 ZINC000091525095 287108304 /nfs/dbraw/zinc/10/83/04/287108304.db2.gz QMZNNBSPTNJZJJ-OPFPJEHXSA-N 1 0 255.361 3.261 10 0 CGAERO Oc1cccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccccc2)c1 ZINC000093868339 165339465 /nfs/dbraw/zinc/33/94/65/165339465.db2.gz JTDNLXXEIPEFFM-IEBWSBKVSA-N 1 0 297.398 3.480 10 0 CGAERO O[C@H]1CCCCC[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000135673750 165445954 /nfs/dbraw/zinc/44/59/54/165445954.db2.gz DFHWBBWMPGSZEG-CABCVRRESA-N 1 0 259.349 3.216 10 0 CGAERO CCC[C@H](C(=O)NC[C@@H](CC)c1ccccc1)[NH+](C)C ZINC000120520128 287183133 /nfs/dbraw/zinc/18/31/33/287183133.db2.gz GERSLCHLOWDNSN-GDBMZVCRSA-N 1 0 276.424 3.027 10 0 CGAERO Cc1c([C@H](C)[NH2+][C@@H]2C[C@@H]2C)nnn1-c1cccc(Cl)c1 ZINC000120407188 287181855 /nfs/dbraw/zinc/18/18/55/287181855.db2.gz IOIPTOPICFZWHF-PKFCDNJMSA-N 1 0 290.798 3.288 10 0 CGAERO CC(C)c1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCOCC2)cc1 ZINC000123216931 287217073 /nfs/dbraw/zinc/21/70/73/287217073.db2.gz NRSIPXVRUCVXIM-CVEARBPZSA-N 1 0 290.451 3.181 10 0 CGAERO c1n(Cc2ccccc2)c2ccccc2[n+]1-c1ccccn1 ZINC000005331737 170086235 /nfs/dbraw/zinc/08/62/35/170086235.db2.gz SARHJEWFVPEQET-UHFFFAOYSA-N 1 0 286.358 3.361 10 0 CGAERO CCC(=O)O[C@]1(c2ccccc2)CC[N@@H+]2CCCC[C@@H]2C1 ZINC000005497952 170104617 /nfs/dbraw/zinc/10/46/17/170104617.db2.gz LHHMEVNXCJLHKP-SJLPKXTDSA-N 1 0 287.403 3.483 10 0 CGAERO C[C@@H]1CCCC[N@@H+]1CC[C@H](O)c1ccc(F)cc1 ZINC000005763552 170138580 /nfs/dbraw/zinc/13/85/80/170138580.db2.gz GUAHGDAGTZMWSC-DOMZBBRYSA-N 1 0 251.345 3.124 10 0 CGAERO Cc1ccc([C@H]([NH3+])Cc2nc3ccccc3[nH]2)cc1 ZINC000005818299 170143484 /nfs/dbraw/zinc/14/34/84/170143484.db2.gz DJBVJDQFMRPQDX-CYBMUJFWSA-N 1 0 251.333 3.114 10 0 CGAERO Brc1ccc([C@@H]2CCC[NH2+]2)c2ncccc12 ZINC000006045376 170171878 /nfs/dbraw/zinc/17/18/78/170171878.db2.gz JXNBXAHWPAMZGS-LBPRGKRZSA-N 1 0 277.165 3.422 10 0 CGAERO C[NH2+]CC[C@@H](c1cccs1)c1ccc(OC)cc1 ZINC000011630260 170429330 /nfs/dbraw/zinc/42/93/30/170429330.db2.gz LLFIMPCVKIWTBM-CQSZACIVSA-N 1 0 261.390 3.498 10 0 CGAERO C[C@H](C[NH3+])Oc1c(Cl)cc(Br)cc1Cl ZINC000011946927 170460089 /nfs/dbraw/zinc/46/00/89/170460089.db2.gz NKDQRNQABNQLIP-RXMQYKEDSA-N 1 0 298.995 3.482 10 0 CGAERO Cc1ccc([C@H]([NH3+])CN2CCCCCCC2=O)cc1C ZINC000019280510 170771517 /nfs/dbraw/zinc/77/15/17/170771517.db2.gz ZAZUSDOUNBUBGP-MRXNPFEDSA-N 1 0 274.408 3.096 10 0 CGAERO C[C@@H]1Cc2ccccc2N1C[C@@H]([NH3+])c1ccccc1 ZINC000019403768 170786246 /nfs/dbraw/zinc/78/62/46/170786246.db2.gz RITZHXLBQQUOCT-CZUORRHYSA-N 1 0 252.361 3.138 10 0 CGAERO NC(=[NH2+])CCOc1ccc2cc(Br)ccc2c1 ZINC000019437829 170800418 /nfs/dbraw/zinc/80/04/18/170800418.db2.gz ZXJUSDZGIMZRQV-UHFFFAOYSA-N 1 0 293.164 3.307 10 0 CGAERO CC(C)[C@@H]([NH3+])C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000019505177 170817819 /nfs/dbraw/zinc/81/78/19/170817819.db2.gz XBUVNCDFDPDRJO-SNVBAGLBSA-N 1 0 294.704 3.281 10 0 CGAERO C[C@H]([NH3+])c1ccc(NC(=O)Oc2ccccc2)cc1 ZINC000019816270 170880982 /nfs/dbraw/zinc/88/09/82/170880982.db2.gz ZCYPELXXIFVFNC-NSHDSACASA-N 1 0 256.305 3.317 10 0 CGAERO NC(=[NH2+])c1ccccc1CSc1nc2ccccc2[nH]1 ZINC000019848178 170897384 /nfs/dbraw/zinc/89/73/84/170897384.db2.gz AKNPDFYNIJEQSU-UHFFFAOYSA-N 1 0 282.372 3.139 10 0 CGAERO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccncc2)C12CCCC2 ZINC000125639194 287248274 /nfs/dbraw/zinc/24/82/74/287248274.db2.gz SKWCDACPGVJLTP-CVEARBPZSA-N 1 0 274.408 3.251 10 0 CGAERO COc1ccc(C[C@H]([NH3+])c2ccc(F)cc2F)cc1OC ZINC000019968873 170951191 /nfs/dbraw/zinc/95/11/91/170951191.db2.gz JALFMQSHAGZZMZ-AWEZNQCLSA-N 1 0 293.313 3.225 10 0 CGAERO COc1ccc([C@H]([NH3+])c2ccccc2OC)c(C)c1 ZINC000019972094 170956324 /nfs/dbraw/zinc/95/63/24/170956324.db2.gz KBMVSHLCATWCAZ-INIZCTEOSA-N 1 0 257.333 3.060 10 0 CGAERO COc1cccc(C[C@@H]([NH3+])c2ccc(OC)cc2C)c1 ZINC000019972137 170956387 /nfs/dbraw/zinc/95/63/87/170956387.db2.gz PMGUTHCTSBBYAY-QGZVFWFLSA-N 1 0 271.360 3.255 10 0 CGAERO C[C@@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1cccc(O)c1 ZINC000020129390 171017237 /nfs/dbraw/zinc/01/72/37/171017237.db2.gz FELQOOCCCKMUIG-KDOFPFPSSA-N 1 0 284.403 3.346 10 0 CGAERO CSCCC[NH2+]Cc1nc2ccccc2s1 ZINC000020136401 171023786 /nfs/dbraw/zinc/02/37/86/171023786.db2.gz SIMCGEGJIIWKIE-UHFFFAOYSA-N 1 0 252.408 3.139 10 0 CGAERO C[C@@H](C[NH2+]Cc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000020137513 171025303 /nfs/dbraw/zinc/02/53/03/171025303.db2.gz GGJWAPQHQAYUNL-AWEZNQCLSA-N 1 0 283.371 3.351 10 0 CGAERO CCOc1ccccc1[C@@H](C)[NH2+]Cc1ccncc1 ZINC000020140110 171027184 /nfs/dbraw/zinc/02/71/84/171027184.db2.gz GSRNDLDBIABXAB-CYBMUJFWSA-N 1 0 256.349 3.331 10 0 CGAERO CC(C)[C@@H](CNCc1c(F)cccc1Cl)[NH+](C)C ZINC000020145811 171030923 /nfs/dbraw/zinc/03/09/23/171030923.db2.gz KUXVKBKNNDBLOX-CQSZACIVSA-N 1 0 272.795 3.155 10 0 CGAERO CC[C@@H]([NH2+]C[C@@H](C(C)C)N(C)C)c1ccc(O)cc1 ZINC000020145693 171031206 /nfs/dbraw/zinc/03/12/06/171031206.db2.gz FXLCWIZMSKIIGY-CVEARBPZSA-N 1 0 264.413 3.019 10 0 CGAERO CC[C@H](C[C@@H](C)CC)[NH2+]CCCOC[C@@H]1CCCO1 ZINC000020146849 171033372 /nfs/dbraw/zinc/03/33/72/171033372.db2.gz MDIHWGAHRXRWIX-XHSDSOJGSA-N 1 0 271.445 3.377 10 0 CGAERO CN(Cc1ccccc1F)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000020225655 171088112 /nfs/dbraw/zinc/08/81/12/171088112.db2.gz MEDDQHCLSZKHAM-MRXNPFEDSA-N 1 0 276.330 3.097 10 0 CGAERO Cc1ccccc1N(CCC[NH3+])Cc1ccccc1 ZINC000020236951 171096279 /nfs/dbraw/zinc/09/62/79/171096279.db2.gz ZKEADKZLDQIQOI-UHFFFAOYSA-N 1 0 254.377 3.350 10 0 CGAERO Fc1ccc(OCC[NH+]2CCCC2)c(Br)c1 ZINC000020253936 171106774 /nfs/dbraw/zinc/10/67/74/171106774.db2.gz FMQGJNCICPKALT-UHFFFAOYSA-N 1 0 288.160 3.063 10 0 CGAERO Clc1ccc(OCC[NH2+]C2CC2)c(Br)c1 ZINC000020361159 171159469 /nfs/dbraw/zinc/15/94/69/171159469.db2.gz LEQWOXITPWLNQJ-UHFFFAOYSA-N 1 0 290.588 3.233 10 0 CGAERO [NH3+][C@H](Cc1ccccn1)c1ccccc1Br ZINC000020428980 171194042 /nfs/dbraw/zinc/19/40/42/171194042.db2.gz GSWHGNOGQKENFZ-CYBMUJFWSA-N 1 0 277.165 3.087 10 0 CGAERO Cc1cc(Br)ccc1N[C@H]1C[NH+]2CCC1CC2 ZINC000020440478 171204033 /nfs/dbraw/zinc/20/40/33/171204033.db2.gz SEEFWMYVUQFWLC-AWEZNQCLSA-N 1 0 295.224 3.264 10 0 CGAERO CC(C)[NH+]1CCC(Nc2c(F)cccc2F)CC1 ZINC000020476309 171220632 /nfs/dbraw/zinc/22/06/32/171220632.db2.gz NVYMDDKLTAELPL-UHFFFAOYSA-N 1 0 254.324 3.250 10 0 CGAERO CCC(C)(C)OC[C@H]([NH3+])c1cc(C)ccc1OC ZINC000020511636 171231189 /nfs/dbraw/zinc/23/11/89/171231189.db2.gz GJJMZWRHLFHWMF-ZDUSSCGKSA-N 1 0 251.370 3.209 10 0 CGAERO COc1ccc([C@@H]([NH3+])c2ccc(OC)c(Cl)c2)cc1 ZINC000020521884 171235050 /nfs/dbraw/zinc/23/50/50/171235050.db2.gz UAGXHZSYRLTQSM-OAHLLOKOSA-N 1 0 277.751 3.405 10 0 CGAERO COc1ccc([C@@H](C)[NH2+][C@H](C)C(C)C)c(OC)c1 ZINC000020522803 171235686 /nfs/dbraw/zinc/23/56/86/171235686.db2.gz KFCVDBIMIYNOFO-VXGBXAGGSA-N 1 0 251.370 3.399 10 0 CGAERO CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H]2CCCO2)cc1F ZINC000020549949 171246825 /nfs/dbraw/zinc/24/68/25/171246825.db2.gz SQDKDEQGMCLEFJ-JSGCOSHPSA-N 1 0 281.371 3.443 10 0 CGAERO CCN(CC)CC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000020551093 171247125 /nfs/dbraw/zinc/24/71/25/171247125.db2.gz KAJAXUBUGADNIS-ARFHVFGLSA-N 1 0 254.462 3.379 10 0 CGAERO CCc1cccc(C)c1NC(=O)C[C@@H]1CCCC[NH2+]1 ZINC000020597227 171265933 /nfs/dbraw/zinc/26/59/33/171265933.db2.gz LSSOWCXQVPIQDF-AWEZNQCLSA-N 1 0 260.381 3.028 10 0 CGAERO Cc1ccc([C@@H]([NH3+])CN(C)c2ccccc2)cc1C ZINC000021518243 171314706 /nfs/dbraw/zinc/31/47/06/171314706.db2.gz SWVUSILKZMCVNP-KRWDZBQOSA-N 1 0 254.377 3.440 10 0 CGAERO Cc1cc(C)c([C@@H](N)C[NH+]2CCCCCC2)c(C)c1 ZINC000021520306 171315690 /nfs/dbraw/zinc/31/56/90/171315690.db2.gz ZLTYUSYHDCUYLQ-INIZCTEOSA-N 1 0 260.425 3.488 10 0 CGAERO C[C@@H]1CCCC[N@@H+]1CCCC(=O)Nc1cc(N)ccc1F ZINC000022152255 171359469 /nfs/dbraw/zinc/35/94/69/171359469.db2.gz GISXPNLFXYBMNI-GFCCVEGCSA-N 1 0 293.386 3.001 10 0 CGAERO CCC[NH+](CCC)[C@H](C)C(=O)Nc1cccc(N)c1C ZINC000022153963 171360713 /nfs/dbraw/zinc/36/07/13/171360713.db2.gz QTUARKVQILVLDZ-CYBMUJFWSA-N 1 0 277.412 3.026 10 0 CGAERO CC[N@H+]([C@@H](CN)c1ccc(C)o1)C1CCCCC1 ZINC000022164778 171365101 /nfs/dbraw/zinc/36/51/01/171365101.db2.gz XBQGQMACQLKGAL-AWEZNQCLSA-N 1 0 250.386 3.242 10 0 CGAERO COc1cc([C@@H](C)[NH3+])ccc1OCc1ccc(F)cc1 ZINC000022169640 171367332 /nfs/dbraw/zinc/36/73/32/171367332.db2.gz DJWNFQAPSGQKJX-LLVKDONJSA-N 1 0 275.323 3.433 10 0 CGAERO C[C@H]([NH3+])c1ccccc1NC(=O)c1ccc(F)cc1F ZINC000022173564 171369429 /nfs/dbraw/zinc/36/94/29/171369429.db2.gz MPWQDNMDBNURCJ-VIFPVBQESA-N 1 0 276.286 3.237 10 0 CGAERO [NH3+]C[C@H](c1ccc(F)cc1F)N1CCc2ccccc2C1 ZINC000022176227 171370626 /nfs/dbraw/zinc/37/06/26/171370626.db2.gz DMWBGGABAMVQFP-QGZVFWFLSA-N 1 0 288.341 3.023 10 0 CGAERO C[N@H+]([C@@H](CN)c1cccc(F)c1)C1CCCCC1 ZINC000022212942 171374211 /nfs/dbraw/zinc/37/42/11/171374211.db2.gz NAUZHBNJVUWNMZ-HNNXBMFYSA-N 1 0 250.361 3.090 10 0 CGAERO CCOc1ccc([C@@H](CN)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000022213744 171375047 /nfs/dbraw/zinc/37/50/47/171375047.db2.gz ZJYXNAAZHPSOBU-CKEIUWERSA-N 1 0 276.424 3.063 10 0 CGAERO C[C@H]([NH3+])c1ccc(NC(=O)c2ccc(F)cc2F)cc1 ZINC000022220180 171377365 /nfs/dbraw/zinc/37/73/65/171377365.db2.gz DGYJPIKQDUZFLQ-VIFPVBQESA-N 1 0 276.286 3.237 10 0 CGAERO CC1CC[NH+]([C@@H]2CCCc3ccccc3[C@H]2N)CC1 ZINC000022563029 171391202 /nfs/dbraw/zinc/39/12/02/171391202.db2.gz AHIAYAOJPJFILD-IAGOWNOFSA-N 1 0 258.409 3.123 10 0 CGAERO Brc1cccc(COC[C@H]2CCCC[NH2+]2)c1 ZINC000028521920 171561505 /nfs/dbraw/zinc/56/15/05/171561505.db2.gz DVHQMHLJNHJQLD-CYBMUJFWSA-N 1 0 284.197 3.108 10 0 CGAERO Cc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)C(C)C)c1C ZINC000029577327 171605200 /nfs/dbraw/zinc/60/52/00/171605200.db2.gz YOFITTJBLKDOPY-KBPBESRZSA-N 1 0 262.397 3.265 10 0 CGAERO Cc1ccc([C@@H](C[NH3+])Oc2ccc(F)cc2F)cc1 ZINC000032112864 171705897 /nfs/dbraw/zinc/70/58/97/171705897.db2.gz WDQFBEMZQZINKS-OAHLLOKOSA-N 1 0 263.287 3.352 10 0 CGAERO COc1cccc(OCC[C@H]([NH3+])C2CCCCC2)c1 ZINC000032113261 171706356 /nfs/dbraw/zinc/70/63/56/171706356.db2.gz ZEZKHFVKCOWTLH-INIZCTEOSA-N 1 0 263.381 3.372 10 0 CGAERO CC(C)[NH2+]C[C@H](O)c1cccc(OC2CCCC2)c1 ZINC000032113179 171706579 /nfs/dbraw/zinc/70/65/79/171706579.db2.gz JEZKBLHNUNWXKU-INIZCTEOSA-N 1 0 263.381 3.039 10 0 CGAERO CCN(Cc1ccccc1)[C@@H](C[NH3+])c1ccc(C)o1 ZINC000034958042 171904093 /nfs/dbraw/zinc/90/40/93/171904093.db2.gz DZJRYHVAPTVJPK-HNNXBMFYSA-N 1 0 258.365 3.110 10 0 CGAERO CCN(CC)[C@H](C[NH2+]C[C@@H]1CCCCO1)c1ccccc1 ZINC000035151276 172014331 /nfs/dbraw/zinc/01/43/31/172014331.db2.gz SGUJDJXNKQATIV-ZWKOTPCHSA-N 1 0 290.451 3.228 10 0 CGAERO CCN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1C ZINC000035223067 172067217 /nfs/dbraw/zinc/06/72/17/172067217.db2.gz TYYQPLRWNYFISO-CABCVRRESA-N 1 0 276.424 3.211 10 0 CGAERO FC(F)(F)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccn1 ZINC000035258158 172089638 /nfs/dbraw/zinc/08/96/38/172089638.db2.gz SVHQAENCRSINRP-VXGBXAGGSA-N 1 0 258.287 3.292 10 0 CGAERO C[NH2+][C@@H](c1ccccc1)c1c(OC)cccc1OC ZINC000035465467 172213038 /nfs/dbraw/zinc/21/30/38/172213038.db2.gz UVIGYYYPOCXQOX-INIZCTEOSA-N 1 0 257.333 3.013 10 0 CGAERO C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CCCO1 ZINC000035501601 172235450 /nfs/dbraw/zinc/23/54/50/172235450.db2.gz DWVZIFAEPLDMPT-RYUDHWBXSA-N 1 0 260.164 3.433 10 0 CGAERO C[NH2+][C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CCCO1 ZINC000035501602 172235858 /nfs/dbraw/zinc/23/58/58/172235858.db2.gz DWVZIFAEPLDMPT-NWDGAFQWSA-N 1 0 260.164 3.433 10 0 CGAERO CC[NH2+][C@@H](c1cc(OC)ccc1OC)[C@@H](C)CC ZINC000035541454 172248405 /nfs/dbraw/zinc/24/84/05/172248405.db2.gz LJFGGTWJAVGIMG-XHDPSFHLSA-N 1 0 251.370 3.401 10 0 CGAERO CC[NH2+][C@H](CC(F)(F)F)c1ccc2c(c1)CCO2 ZINC000035542488 172250347 /nfs/dbraw/zinc/25/03/47/172250347.db2.gz JOSWTVMNSBTSHG-LLVKDONJSA-N 1 0 259.271 3.225 10 0 CGAERO CC[NH2+][C@@H](c1cccs1)c1ccc2c(c1)CCO2 ZINC000035542187 172250410 /nfs/dbraw/zinc/25/04/10/172250410.db2.gz VEYDWCOKMCTZCW-OAHLLOKOSA-N 1 0 259.374 3.382 10 0 CGAERO CC[NH2+][C@H](c1cnn(C)c1)c1cc(Cl)cc(Cl)c1 ZINC000035556089 172261968 /nfs/dbraw/zinc/26/19/68/172261968.db2.gz VHGVSCOWWAMGFC-ZDUSSCGKSA-N 1 0 284.190 3.426 10 0 CGAERO CCC[NH2+][C@@H](c1ccc2c(c1)CC(=O)N2)C1CCC1 ZINC000035582772 172280853 /nfs/dbraw/zinc/28/08/53/172280853.db2.gz RBBPIIJTBVZIEO-MRXNPFEDSA-N 1 0 258.365 3.022 10 0 CGAERO CCC[NH2+][C@H](c1cc(F)ccc1OC)[C@@H]1CCCO1 ZINC000035583927 172282418 /nfs/dbraw/zinc/28/24/18/172282418.db2.gz FNXAANHIBKFKIJ-LSDHHAIUSA-N 1 0 267.344 3.054 10 0 CGAERO CCC[C@H](C)NC(=O)[C@@H](C)Oc1ccc(C)cc1[C@@H](C)[NH3+] ZINC000035629283 172309034 /nfs/dbraw/zinc/30/90/34/172309034.db2.gz DICIPHYTAULZPS-BFHYXJOUSA-N 1 0 292.423 3.087 10 0 CGAERO Cc1c(N)cccc1C[N@@H+]1CCc2sccc2C1 ZINC000035648958 172325267 /nfs/dbraw/zinc/32/52/67/172325267.db2.gz YGKVNOGWCLODBR-UHFFFAOYSA-N 1 0 258.390 3.197 10 0 CGAERO Cc1cccc([C@H](C[NH3+])N(C)Cc2cccs2)c1 ZINC000035716989 172370903 /nfs/dbraw/zinc/37/09/03/172370903.db2.gz VGUZZHZOJSJCJX-HNNXBMFYSA-N 1 0 260.406 3.188 10 0 CGAERO CC(C)CC[C@](C)(C[NH3+])N(C)Cc1ccsc1 ZINC000035719050 172373486 /nfs/dbraw/zinc/37/34/86/172373486.db2.gz HNPYIHACXIRAJB-CQSZACIVSA-N 1 0 254.443 3.334 10 0 CGAERO [NH3+]Cc1cccc(OCCSc2ccccc2)c1 ZINC000035722569 172378255 /nfs/dbraw/zinc/37/82/55/172378255.db2.gz RUFGLEZVGFVZIF-UHFFFAOYSA-N 1 0 259.374 3.316 10 0 CGAERO C[C@@H](O)C[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000035791545 172418297 /nfs/dbraw/zinc/41/82/97/172418297.db2.gz VOAFOZVOALKBOJ-RNFRBKRXSA-N 1 0 266.143 3.164 10 0 CGAERO CCC[NH2+][C@H](C)c1ccc(SCCC(=O)OC)cc1 ZINC000036336524 172620441 /nfs/dbraw/zinc/62/04/41/172620441.db2.gz MFMGSONMCXYMQO-GFCCVEGCSA-N 1 0 281.421 3.402 10 0 CGAERO CC(C)C[C@@H](CN(C)C)[NH2+]CCCc1ccccc1 ZINC000037166560 173000676 /nfs/dbraw/zinc/00/06/76/173000676.db2.gz RJOAXDZWLLRGQN-KRWDZBQOSA-N 1 0 262.441 3.185 10 0 CGAERO CC[NH+]1CCC([C@H](C)Nc2ccc(F)cc2F)CC1 ZINC000037210107 173031696 /nfs/dbraw/zinc/03/16/96/173031696.db2.gz CXQWIZRQKPKAFF-NSHDSACASA-N 1 0 268.351 3.497 10 0 CGAERO CCc1ccc([C@H]([NH3+])[C@H](C)n2nc(C)cc2C)cc1 ZINC000037223920 173045057 /nfs/dbraw/zinc/04/50/57/173045057.db2.gz HTABMIMPXBTYEH-XJKSGUPXSA-N 1 0 257.381 3.323 10 0 CGAERO CN(c1ccc(F)cc1C[NH2+]C1CC1)C1CCCC1 ZINC000037236618 173053887 /nfs/dbraw/zinc/05/38/87/173053887.db2.gz BPPDMUMLQDXIIF-UHFFFAOYSA-N 1 0 262.372 3.457 10 0 CGAERO CCC[NH2+]Cc1cc(F)ccc1N(C)[C@H]1CCSC1 ZINC000037236796 173054191 /nfs/dbraw/zinc/05/41/91/173054191.db2.gz HIXIAMORZFLOJQ-AWEZNQCLSA-N 1 0 282.428 3.267 10 0 CGAERO C[N@H+](Cc1ccc(N)c2cccnc12)C1CCCC1 ZINC000037273249 173085506 /nfs/dbraw/zinc/08/55/06/173085506.db2.gz RLMQKSQOYUCFDR-UHFFFAOYSA-N 1 0 255.365 3.191 10 0 CGAERO CCCc1ccc(NC(=O)[C@H]2CCC[C@H](C)[NH2+]2)cc1 ZINC000037287549 173093683 /nfs/dbraw/zinc/09/36/83/173093683.db2.gz DQGFIPOZIOFORM-SWLSCSKDSA-N 1 0 260.381 3.108 10 0 CGAERO CC(C)(C)n1c2ccccc2nc1[C@@H]1CCC[NH2+]C1 ZINC000037323677 173124160 /nfs/dbraw/zinc/12/41/60/173124160.db2.gz FTXPLVXARDYONO-GFCCVEGCSA-N 1 0 257.381 3.258 10 0 CGAERO O[C@H](c1ccc(-c2ccccc2)cc1)C1CC[NH2+]CC1 ZINC000037327942 173128760 /nfs/dbraw/zinc/12/87/60/173128760.db2.gz DDTLWEPSJWIQEW-GOSISDBHSA-N 1 0 267.372 3.387 10 0 CGAERO O[C@@H](c1ccc(-c2ccccc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000037327937 173128800 /nfs/dbraw/zinc/12/88/00/173128800.db2.gz UZDOUDBZWJAUPI-MSOLQXFVSA-N 1 0 267.372 3.387 10 0 CGAERO Cc1ccc([C@@H](C[NH3+])N(C)Cc2cccc(F)c2)s1 ZINC000037328322 173128933 /nfs/dbraw/zinc/12/89/33/173128933.db2.gz VKOJLDAEAYNVAU-CQSZACIVSA-N 1 0 278.396 3.327 10 0 CGAERO O=C(C[NH2+]C1CC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000037386685 173169512 /nfs/dbraw/zinc/16/95/12/173169512.db2.gz XZJFGRLTAQDYJU-UHFFFAOYSA-N 1 0 292.688 3.049 10 0 CGAERO COC(=O)CCC[NH2+]Cc1c(Cl)cccc1Cl ZINC000037395171 173175581 /nfs/dbraw/zinc/17/55/81/173175581.db2.gz NPRMWSCYLQBWIX-UHFFFAOYSA-N 1 0 276.163 3.036 10 0 CGAERO CC(C)n1c2ccc(F)cc2nc1[C@@H]1CCC[NH2+]C1 ZINC000037439648 173209338 /nfs/dbraw/zinc/20/93/38/173209338.db2.gz VFDCGLVRFKGISM-LLVKDONJSA-N 1 0 261.344 3.223 10 0 CGAERO Clc1ccc2c(c1)nc([C@H]1CCC[NH2+]1)n2C1CC1 ZINC000037440837 173210629 /nfs/dbraw/zinc/21/06/29/173210629.db2.gz RQIIQIIFFBBTDG-LLVKDONJSA-N 1 0 261.756 3.449 10 0 CGAERO [NH3+][C@H](Cc1ccccc1Br)c1ccncc1 ZINC000037466453 173226624 /nfs/dbraw/zinc/22/66/24/173226624.db2.gz JMEFFKHOLFPQGZ-CYBMUJFWSA-N 1 0 277.165 3.087 10 0 CGAERO CC(C)(C)[NH2+]CCc1nc2cc(Br)ccc2[nH]1 ZINC000037599876 173553274 /nfs/dbraw/zinc/55/32/74/173553274.db2.gz IQQQEACBHJNANN-UHFFFAOYSA-N 1 0 296.212 3.256 10 0 CGAERO Cn1c(CC[NH2+]C(C)(C)C)nc2cc(Cl)ccc21 ZINC000037599790 173553304 /nfs/dbraw/zinc/55/33/04/173553304.db2.gz QREGNNRAXZHXAA-UHFFFAOYSA-N 1 0 265.788 3.157 10 0 CGAERO C/C=C/COc1cc(OCCC)ccc1C[C@H](C)[NH3+] ZINC000037722177 173640578 /nfs/dbraw/zinc/64/05/78/173640578.db2.gz RAWAZPVLPJDKMF-BPJJOFIESA-N 1 0 263.381 3.320 10 0 CGAERO CC[C@H]([NH3+])Cc1ccccc1OCc1cscn1 ZINC000037724734 173643754 /nfs/dbraw/zinc/64/37/54/173643754.db2.gz QDBPEFCFXMAHQK-LBPRGKRZSA-N 1 0 262.378 3.002 10 0 CGAERO CC[C@@H]([NH3+])Cc1ccc(OC)c(O[C@H](C)CC)c1 ZINC000037728252 173647886 /nfs/dbraw/zinc/64/78/86/173647886.db2.gz NBMMPSZJCVNPSW-DGCLKSJQSA-N 1 0 251.370 3.152 10 0 CGAERO O[C@@H](C[NH2+]C12CC3CC(CC(C3)C1)C2)c1cccs1 ZINC000037862268 173812192 /nfs/dbraw/zinc/81/21/92/173812192.db2.gz IXUIODHZMVGFGS-IXUJDMMCSA-N 1 0 277.433 3.340 10 0 CGAERO CC(C)CCC[NH2+]C[C@@H](O)COCc1ccccc1Cl ZINC000037984719 173946148 /nfs/dbraw/zinc/94/61/48/173946148.db2.gz NJOQFFBXEFKLJS-OAHLLOKOSA-N 1 0 299.842 3.243 10 0 CGAERO C[C@@H](C[NH2+][C@H]1CSCc2ccccc21)N1CCCCC1 ZINC000038029160 174019294 /nfs/dbraw/zinc/01/92/94/174019294.db2.gz OTKNTKXGFJDERZ-YOEHRIQHSA-N 1 0 290.476 3.439 10 0 CGAERO CCCOc1ccc([C@H](C)[NH2+]Cc2ccnc(C)n2)cc1 ZINC000038037335 174037248 /nfs/dbraw/zinc/03/72/48/174037248.db2.gz NQBGNNHFAFHJSN-ZDUSSCGKSA-N 1 0 285.391 3.425 10 0 CGAERO FC(F)(F)Sc1ccccc1NC1CC[NH2+]CC1 ZINC000038040927 174040761 /nfs/dbraw/zinc/04/07/61/174040761.db2.gz SWOHXTULIVQJFL-UHFFFAOYSA-N 1 0 276.327 3.462 10 0 CGAERO CC[C@H](C)[C@H](C(=O)N[C@@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000038049355 174060401 /nfs/dbraw/zinc/06/04/01/174060401.db2.gz HNUARWLSZHIZOD-LLLHUVSDSA-N 1 0 288.435 3.202 10 0 CGAERO Clc1ccc(-c2c[nH]c(CC3CC[NH2+]CC3)n2)s1 ZINC000038076138 174086305 /nfs/dbraw/zinc/08/63/05/174086305.db2.gz OIAODRCWBMLGHV-UHFFFAOYSA-N 1 0 281.812 3.334 10 0 CGAERO NC(=[NH2+])CCOc1ccc2ccccc2c1Br ZINC000038077741 174088279 /nfs/dbraw/zinc/08/82/79/174088279.db2.gz AGLSOKMWHOMEED-UHFFFAOYSA-N 1 0 293.164 3.307 10 0 CGAERO CC[C@H]([NH2+]Cc1nc(C)cs1)c1ccc(O)cc1 ZINC000038090644 174103709 /nfs/dbraw/zinc/10/37/09/174103709.db2.gz ZNWYCQBRGZSBPE-ZDUSSCGKSA-N 1 0 262.378 3.398 10 0 CGAERO C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1ccc2c(c1)CCC2 ZINC000038095937 174109391 /nfs/dbraw/zinc/10/93/91/174109391.db2.gz HZVMYQIZCICQAV-DYVFJYSZSA-N 1 0 259.393 3.395 10 0 CGAERO C[NH+](C)[C@H]1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000039214032 174166212 /nfs/dbraw/zinc/16/62/12/174166212.db2.gz QYRVZDSJNOXXNC-VIFPVBQESA-N 1 0 293.208 3.349 10 0 CGAERO C[C@@H]1CCC[C@H](C)N1[C@H](C[NH3+])c1ccccc1F ZINC000039789054 174173000 /nfs/dbraw/zinc/17/30/00/174173000.db2.gz PHJYKSUFIFYPKN-TYNCELHUSA-N 1 0 250.361 3.088 10 0 CGAERO CCc1nc2cc(Cl)ccc2n1CCC[NH+](C)C ZINC000040404143 174253797 /nfs/dbraw/zinc/25/37/97/174253797.db2.gz GHLGZFHVOYGKNY-UHFFFAOYSA-N 1 0 265.788 3.204 10 0 CGAERO [NH3+]CCc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000040417907 174256598 /nfs/dbraw/zinc/25/65/98/174256598.db2.gz FGLCUXKKPJIXMY-UHFFFAOYSA-N 1 0 285.778 3.239 10 0 CGAERO Cc1nc(C)c([C@@H](C)NC2CC[NH+](C(C)C)CC2)s1 ZINC000040517522 174307761 /nfs/dbraw/zinc/30/77/61/174307761.db2.gz LNXCHVZBTLLNMG-GFCCVEGCSA-N 1 0 281.469 3.283 10 0 CGAERO Cc1cccc(NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)n1 ZINC000040670068 174368342 /nfs/dbraw/zinc/36/83/42/174368342.db2.gz NRSOGEGZAYUQRR-CZUORRHYSA-N 1 0 261.413 3.312 10 0 CGAERO CCC[NH2+]Cc1cnn(-c2ccccc2Cl)c1C ZINC000042355780 174694128 /nfs/dbraw/zinc/69/41/28/174694128.db2.gz VXSNNIZBWODXEV-UHFFFAOYSA-N 1 0 263.772 3.334 10 0 CGAERO CCCN(C[C@H](C[NH3+])c1ccccc1)CC(F)(F)F ZINC000042741149 174862671 /nfs/dbraw/zinc/86/26/71/174862671.db2.gz PIWHQQITGAAHMM-ZDUSSCGKSA-N 1 0 274.330 3.003 10 0 CGAERO CC[C@@H]([NH3+])[C@H](OCc1ccco1)c1ccc(F)cc1 ZINC000042916086 174916260 /nfs/dbraw/zinc/91/62/60/174916260.db2.gz DDFPJGKXZMHOTI-HUUCEWRRSA-N 1 0 263.312 3.414 10 0 CGAERO CC[C@@H]([NH3+])[C@H](Sc1nncs1)c1ccc(C)cc1 ZINC000042943308 174918803 /nfs/dbraw/zinc/91/88/03/174918803.db2.gz UEDKFCLHSQTOKG-VXGBXAGGSA-N 1 0 279.434 3.417 10 0 CGAERO CC[C@H]([NH3+])[C@@H](OCCCOC)c1ccc(Cl)cc1 ZINC000042949720 174923377 /nfs/dbraw/zinc/92/33/77/174923377.db2.gz ZLACCJQMHJTFLU-KBPBESRZSA-N 1 0 271.788 3.172 10 0 CGAERO COc1ccccc1[C@H](SCC(C)C)[C@@H](C)[NH3+] ZINC000043101449 174967546 /nfs/dbraw/zinc/96/75/46/174967546.db2.gz QRNDQSSPAFJRLT-BXUZGUMPSA-N 1 0 253.411 3.473 10 0 CGAERO CCCOc1ccc([C@H](O)C[NH+]2CCCCCC2)cc1 ZINC000044118240 175142244 /nfs/dbraw/zinc/14/22/44/175142244.db2.gz OGKBOEQZOFSPQD-QGZVFWFLSA-N 1 0 277.408 3.385 10 0 CGAERO CCOc1ccc([C@H](O)C[N@H+](C)C2CCCCC2)cc1 ZINC000044120592 175142818 /nfs/dbraw/zinc/14/28/18/175142818.db2.gz VDIRLWNHZQNVEA-QGZVFWFLSA-N 1 0 277.408 3.383 10 0 CGAERO Cc1nc(CN(C)c2cccc(Cl)c2C[NH3+])cs1 ZINC000044609484 175216694 /nfs/dbraw/zinc/21/66/94/175216694.db2.gz DDWIOQHZNKNPMJ-UHFFFAOYSA-N 1 0 281.812 3.200 10 0 CGAERO CCCn1nc(C[NH2+]C2CCCC2)c(-c2ccccc2)n1 ZINC000045944927 175387460 /nfs/dbraw/zinc/38/74/60/175387460.db2.gz KNESTBFZWRTILD-UHFFFAOYSA-N 1 0 284.407 3.387 10 0 CGAERO CCC[NH2+]Cc1nn(C(C)C)nc1-c1ccccc1 ZINC000045944887 175387574 /nfs/dbraw/zinc/38/75/74/175387574.db2.gz RYBDAGLYXCGKNY-UHFFFAOYSA-N 1 0 258.369 3.026 10 0 CGAERO Clc1cccc(C[NH2+]CCCOc2ccccn2)c1 ZINC000045945470 175387901 /nfs/dbraw/zinc/38/79/01/175387901.db2.gz MFUMDAWBQUXIAQ-UHFFFAOYSA-N 1 0 276.767 3.294 10 0 CGAERO [NH3+][C@H]1CCCC[C@H]1CC(=O)NC1CCCCCCC1 ZINC000055125434 175570995 /nfs/dbraw/zinc/57/09/95/175570995.db2.gz ZJCBIBJGURLUKG-ZFWWWQNUSA-N 1 0 266.429 3.123 10 0 CGAERO Cc1cccc(Cn2cc(C[NH2+]CCO)c3ccccc32)c1 ZINC000057353148 175593994 /nfs/dbraw/zinc/59/39/94/175593994.db2.gz VRSACOBXKKISLI-UHFFFAOYSA-N 1 0 294.398 3.080 10 0 CGAERO C[C@H](C[NH2+]CCCOc1ccccn1)c1ccccc1 ZINC000057353390 175594420 /nfs/dbraw/zinc/59/44/20/175594420.db2.gz MXIDREMRJKIHKE-OAHLLOKOSA-N 1 0 270.376 3.244 10 0 CGAERO C[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085637008 287308370 /nfs/dbraw/zinc/30/83/70/287308370.db2.gz POXNKJFNTKAXJU-FQKPHLNHSA-N 1 0 251.414 3.216 10 0 CGAERO O[C@]12CCCC[C@@H]1C[N@H+](Cc1cccc(Cl)c1)CC2 ZINC000128360169 287309311 /nfs/dbraw/zinc/30/93/11/287309311.db2.gz PWIPRCWWWFGIAM-ZBFHGGJFSA-N 1 0 279.811 3.467 10 0 CGAERO [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2ccc3sccc3c2)C1 ZINC000070574807 175989950 /nfs/dbraw/zinc/98/99/50/175989950.db2.gz ZVOQMCWWDBTOCD-VXGBXAGGSA-N 1 0 274.389 3.357 10 0 CGAERO CC[C@@H]1[NH2+]CCc2c(OC)ccc(Br)c21 ZINC000070821276 176007229 /nfs/dbraw/zinc/00/72/29/176007229.db2.gz YRRDGIAWPCLWLK-JTQLQIEISA-N 1 0 270.170 3.055 10 0 CGAERO COc1ccc(Br)c2c1CC[NH2+][C@H]2C1CC1 ZINC000070821324 176007399 /nfs/dbraw/zinc/00/73/99/176007399.db2.gz HAZZUGRYFFZVOG-ZDUSSCGKSA-N 1 0 282.181 3.055 10 0 CGAERO C[C@H]([NH2+]Cc1ccc2c(c1)CC(C)(C)O2)[C@@H]1CCCO1 ZINC000071170166 176051012 /nfs/dbraw/zinc/05/10/12/176051012.db2.gz XNJVCFRCMMHGJM-WFASDCNBSA-N 1 0 275.392 3.057 10 0 CGAERO C[C@H]1CCCC[C@@H]1OCc1ccc(F)cc1C[NH3+] ZINC000071264157 176097340 /nfs/dbraw/zinc/09/73/40/176097340.db2.gz CCZXQSXLZMSEFY-NHYWBVRUSA-N 1 0 251.345 3.380 10 0 CGAERO C[C@H]([N@H+](C)Cc1ccc(F)cc1C(N)=S)C(C)(C)C ZINC000071266146 176100202 /nfs/dbraw/zinc/10/02/02/176100202.db2.gz NDQUXOUAZFLYEZ-JTQLQIEISA-N 1 0 282.428 3.326 10 0 CGAERO C[C@@H](c1ccc(Cl)cc1Cl)N(C)[C@@H]1CC[NH2+]C1 ZINC000071309274 176116800 /nfs/dbraw/zinc/11/68/00/176116800.db2.gz UQWQTCJAKDTMJE-GXSJLCMTSA-N 1 0 273.207 3.348 10 0 CGAERO CC[C@H]1CN(Cc2ccccc2F)[C@H](C(C)C)C[NH2+]1 ZINC000071343754 176130944 /nfs/dbraw/zinc/13/09/44/176130944.db2.gz NNVVVOCOXPDLKK-HOCLYGCPSA-N 1 0 264.388 3.034 10 0 CGAERO Cc1ccc(OCC(C)(C)O)c(C[NH2+]C(C)(C)C)c1 ZINC000071407131 176156400 /nfs/dbraw/zinc/15/64/00/176156400.db2.gz RNPYTMHJSLDPTR-UHFFFAOYSA-N 1 0 265.397 3.033 10 0 CGAERO CC[C@H]([NH3+])c1c[nH]c2ccc(Br)cc21 ZINC000071488016 176189636 /nfs/dbraw/zinc/18/96/36/176189636.db2.gz CVMKSLSSMQRRTN-JTQLQIEISA-N 1 0 253.143 3.340 10 0 CGAERO [NH3+]Cc1ccc2nc(-c3ccc(Cl)cc3)[nH]c2c1 ZINC000071583180 176208167 /nfs/dbraw/zinc/20/81/67/176208167.db2.gz OXXLXRHHEASWCH-UHFFFAOYSA-N 1 0 257.724 3.342 10 0 CGAERO CCc1ccc([C@H](C)CCCN2CC[NH2+]CC2)cc1 ZINC000071587019 176214188 /nfs/dbraw/zinc/21/41/88/176214188.db2.gz DLCXWJMEAWIHHK-OAHLLOKOSA-N 1 0 260.425 3.038 10 0 CGAERO COc1cc(C(C)C)ccc1[C@H](O)[C@H](C)[NH2+]C(C)C ZINC000071598070 176221521 /nfs/dbraw/zinc/22/15/21/176221521.db2.gz UOSRZALPGULPSP-BLLLJJGKSA-N 1 0 265.397 3.239 10 0 CGAERO C[NH2+][C@@H](C(C)C)[C@@H](O)c1ccc(OC(C)(C)C)cc1 ZINC000071598019 176221692 /nfs/dbraw/zinc/22/16/92/176221692.db2.gz LLJZFEHEMIYTLF-GJZGRUSLSA-N 1 0 265.397 3.141 10 0 CGAERO COc1cc(C(C)C)ccc1[C@@H](O)[C@@H](C)[NH2+]C(C)C ZINC000071598069 176221725 /nfs/dbraw/zinc/22/17/25/176221725.db2.gz UOSRZALPGULPSP-WBMJQRKESA-N 1 0 265.397 3.239 10 0 CGAERO COc1c(C)cc(Cl)cc1[C@H](OCC[NH3+])C1CC1 ZINC000071601097 176227584 /nfs/dbraw/zinc/22/75/84/176227584.db2.gz VPTKERXOUWMLDU-CQSZACIVSA-N 1 0 269.772 3.083 10 0 CGAERO COc1cc(Cl)c(C(=O)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000071644286 176239669 /nfs/dbraw/zinc/23/96/69/176239669.db2.gz ZYMYSHFOQPPGQG-MRVPVSSYSA-N 1 0 288.174 3.184 10 0 CGAERO COC[C@H](C)C[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000128965516 287321796 /nfs/dbraw/zinc/32/17/96/287321796.db2.gz QFHAEZDAPJRHMN-TZMCWYRMSA-N 1 0 263.381 3.161 10 0 CGAERO COc1ccc(C(=O)[C@@H](C)[NH2+]C2CC2)cc1C(C)C ZINC000076350361 176995831 /nfs/dbraw/zinc/99/58/31/176995831.db2.gz MHHFUATYDKUEPZ-LLVKDONJSA-N 1 0 261.365 3.142 10 0 CGAERO CC[C@H](CCC[NH3+])C(=O)Nc1cccc(Cl)c1 ZINC000076658969 177047559 /nfs/dbraw/zinc/04/75/59/177047559.db2.gz YXKXHKYJUZHIMO-SNVBAGLBSA-N 1 0 254.761 3.044 10 0 CGAERO [NH3+]CC[C@H](CCc1ccccc1F)c1ccccn1 ZINC000076666255 177050843 /nfs/dbraw/zinc/05/08/43/177050843.db2.gz DETZXKVQMMLJPS-AWEZNQCLSA-N 1 0 258.340 3.286 10 0 CGAERO [NH3+]CC[C@@H](CCc1ccc(F)cc1)c1ccncc1 ZINC000076666326 177050962 /nfs/dbraw/zinc/05/09/62/177050962.db2.gz HPQBIJAVRHBDJO-CQSZACIVSA-N 1 0 258.340 3.286 10 0 CGAERO [NH3+]CC[C@@H](CCc1ccccc1F)c1ccncc1 ZINC000076666310 177050984 /nfs/dbraw/zinc/05/09/84/177050984.db2.gz VPPQDCFWAYKNFP-CYBMUJFWSA-N 1 0 258.340 3.286 10 0 CGAERO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)CCC[NH3+] ZINC000076675899 177055963 /nfs/dbraw/zinc/05/59/63/177055963.db2.gz OSBMUSNQLUQCMG-ZDUSSCGKSA-N 1 0 262.397 3.432 10 0 CGAERO Cc1cccc(C(C)C)c1NC(=O)CC[C@@H](C)C[NH3+] ZINC000076676084 177056077 /nfs/dbraw/zinc/05/60/77/177056077.db2.gz AGPWMCOENIXUNF-GFCCVEGCSA-N 1 0 262.397 3.432 10 0 CGAERO Brc1ccc(CC[NH2+]C2CCC2)cc1 ZINC000076695153 177060040 /nfs/dbraw/zinc/06/00/40/177060040.db2.gz QOTJCPFCCGJHIE-UHFFFAOYSA-N 1 0 254.171 3.134 10 0 CGAERO CCC[C@H](C[NH3+])CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000076705986 177065380 /nfs/dbraw/zinc/06/53/80/177065380.db2.gz MWAHGBKZVIZOME-NSHDSACASA-N 1 0 268.788 3.352 10 0 CGAERO CCC[C@H](C[NH3+])CC(=O)Nc1ccc(Cl)cc1C ZINC000076705979 177065564 /nfs/dbraw/zinc/06/55/64/177065564.db2.gz DKOZUHNGUHOKEB-NSHDSACASA-N 1 0 268.788 3.352 10 0 CGAERO CC[NH2+][C@@H](C)c1csc(Cc2ccc(OC)cc2)n1 ZINC000076784459 177091604 /nfs/dbraw/zinc/09/16/04/177091604.db2.gz KVSMLRVFEMNBFE-NSHDSACASA-N 1 0 276.405 3.413 10 0 CGAERO C[C@@H](C[NH3+])CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000076852894 177121017 /nfs/dbraw/zinc/12/10/17/177121017.db2.gz KTPUREAUHJILGF-SSDOTTSWSA-N 1 0 294.704 3.282 10 0 CGAERO Cc1cc(Br)ccc1NC(=O)[C@@H](C)CCC[NH3+] ZINC000076870246 177125401 /nfs/dbraw/zinc/12/54/01/177125401.db2.gz BQSWZEURZAMAGL-VIFPVBQESA-N 1 0 299.212 3.071 10 0 CGAERO C[C@]1(c2ccccc2Br)CCCC[NH2+]1 ZINC000077607661 177284441 /nfs/dbraw/zinc/28/44/41/177284441.db2.gz LXPKOOCVYHFHRR-GFCCVEGCSA-N 1 0 254.171 3.438 10 0 CGAERO [NH3+][C@@H]1CCC[C@H](c2ccccc2Br)C1 ZINC000077607641 177284459 /nfs/dbraw/zinc/28/44/59/177284459.db2.gz HBSIEOGMXXCNJR-VHSXEESVSA-N 1 0 254.171 3.434 10 0 CGAERO C[C@H](NC(=O)CCC(C)(C)[NH3+])c1cccc(Cl)c1 ZINC000070087870 416490485 /nfs/dbraw/zinc/49/04/85/416490485.db2.gz SRHRDHXDBXEUML-JTQLQIEISA-N 1 0 268.788 3.035 10 0 CGAERO O[C@@H]1CCC[C@H]([NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000311129612 416532063 /nfs/dbraw/zinc/53/20/63/416532063.db2.gz QNMMZCTYRVNPQI-ZNMIVQPWSA-N 1 0 251.414 3.383 10 0 CGAERO Cc1ccc(C[NH2+][C@@H]2CCC[C@H](O)C2)c(Cl)c1 ZINC000404529136 416553591 /nfs/dbraw/zinc/55/35/91/416553591.db2.gz VQOPFCBXVWWVRD-OLZOCXBDSA-N 1 0 253.773 3.042 10 0 CGAERO CC[C@H]1CN(c2ccnc3cc(Cl)ccc32)CC[C@@H]1[NH3+] ZINC000123007866 416506286 /nfs/dbraw/zinc/50/62/86/416506286.db2.gz LQXQNIUGYTUPGN-FZMZJTMJSA-N 1 0 289.810 3.452 10 0 CGAERO CC1(CNc2nccc3ccccc32)CC[NH2+]CC1 ZINC000129490063 416514272 /nfs/dbraw/zinc/51/42/72/416514272.db2.gz QYUWKRAILPZLML-UHFFFAOYSA-N 1 0 255.365 3.036 10 0 CGAERO CC[C@@H]1CCC[C@](C[NH3+])(C(=O)OC(C)(C)C)CC1 ZINC000725244638 544111748 /nfs/dbraw/zinc/11/17/48/544111748.db2.gz KYYDMEWJGFDMIG-DOMZBBRYSA-N 1 0 255.402 3.264 10 0 CGAERO CCC[C@@H](C)C(=O)N1c2ccccc2CCC[C@@H]1C[NH3+] ZINC000725262613 544114246 /nfs/dbraw/zinc/11/42/46/544114246.db2.gz IUTJNMPWHOXMID-UKRRQHHQSA-N 1 0 274.408 3.119 10 0 CGAERO CCC[NH2+]Cc1cc(Cl)nc(C(F)(F)F)c1 ZINC000725270468 544114412 /nfs/dbraw/zinc/11/44/12/544114412.db2.gz OBIBUYCEPKCUHB-UHFFFAOYSA-N 1 0 252.667 3.253 10 0 CGAERO C[C@H]([NH3+])c1ccc(-c2nn(C)cc2C(F)F)cc1 ZINC000725269848 544114629 /nfs/dbraw/zinc/11/46/29/544114629.db2.gz FCPPNVGFDAJDDC-QMMMGPOBSA-N 1 0 251.280 3.044 10 0 CGAERO CC(C)(C)OC(=O)[C@@]1(C)CC2(C[C@@H]1[NH3+])CCCCC2 ZINC000725266654 544114880 /nfs/dbraw/zinc/11/48/80/544114880.db2.gz DUCZVPLTFKCCCD-WFASDCNBSA-N 1 0 267.413 3.406 10 0 CGAERO CCN1CCC[C@@H]([NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC000150114658 287497561 /nfs/dbraw/zinc/49/75/61/287497561.db2.gz QAZBBHLTIJFMKP-CQSZACIVSA-N 1 0 268.351 3.198 10 0 CGAERO Cc1nc([C@@H](C)[NH2+][C@@H]2CCCSCC2)cs1 ZINC000657878804 419400202 /nfs/dbraw/zinc/40/02/02/419400202.db2.gz HOBSHHIHXSZNOV-MWLCHTKSSA-N 1 0 256.440 3.388 10 0 CGAERO CN(C)C[C@H]([NH2+][C@H]1CCCSCC1)c1ccccc1 ZINC000657826796 419375034 /nfs/dbraw/zinc/37/50/34/419375034.db2.gz KWRCCJFFEZPVBZ-HOTGVXAUSA-N 1 0 278.465 3.165 10 0 CGAERO CC[C@H]([NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)C1CC1 ZINC000221967429 262459559 /nfs/dbraw/zinc/45/95/59/262459559.db2.gz ZNPWLWRAUSWQRD-YPMHNXCESA-N 1 0 270.417 3.068 10 0 CGAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@H]1CCc2ccccc21 ZINC000037167133 270028838 /nfs/dbraw/zinc/02/88/38/270028838.db2.gz VTZKDXNBOBPIOO-RDJZCZTQSA-N 1 0 260.425 3.240 10 0 CGAERO CCCCCc1ccc(NC(=O)C[NH2+]CC2CC2)cc1 ZINC000040810169 270030276 /nfs/dbraw/zinc/03/02/76/270030276.db2.gz RUKAORIOJJNHFH-UHFFFAOYSA-N 1 0 274.408 3.357 10 0 CGAERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)NCCC(C)C ZINC000042337303 270032517 /nfs/dbraw/zinc/03/25/17/270032517.db2.gz YHWYQZLXNLOUQK-LSDHHAIUSA-N 1 0 276.424 3.196 10 0 CGAERO CC(C)c1ccc([C@H](C)NC(=O)[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000085362365 270043512 /nfs/dbraw/zinc/04/35/12/270043512.db2.gz XIOMMQZXSQUPJL-RCBQFDQVSA-N 1 0 274.408 3.115 10 0 CGAERO CCO[C@@H]1C[C@@H]([NH2+]CC2CCC(C)CC2)C12CCOCC2 ZINC000186271980 270065518 /nfs/dbraw/zinc/06/55/18/270065518.db2.gz QRSTVBRCIQDOAZ-BHUNQDJPSA-N 1 0 295.467 3.377 10 0 CGAERO Cc1c(Cl)cccc1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000192708414 270077663 /nfs/dbraw/zinc/07/76/63/270077663.db2.gz RMZUSEKMEFACRT-NHYWBVRUSA-N 1 0 294.826 3.107 10 0 CGAERO CCN1CCC[C@@H]([NH2+][C@H](C)CCc2ccccc2)C1 ZINC000250353907 270091404 /nfs/dbraw/zinc/09/14/04/270091404.db2.gz RUYVLVYQNICUNO-NVXWUHKLSA-N 1 0 260.425 3.082 10 0 CGAERO Cc1cc(C[NH2+]C2CC(C)(c3ccc(F)cc3)C2)n(C)n1 ZINC000367438092 533688068 /nfs/dbraw/zinc/68/80/68/533688068.db2.gz KOHISHPUWWWOMB-UHFFFAOYSA-N 1 0 287.382 3.078 10 0 CGAERO CCN1CCC[C@@H]([NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)C1 ZINC000248703042 287779791 /nfs/dbraw/zinc/77/97/91/287779791.db2.gz NPTLFWXRPCFYIU-UKRRQHHQSA-N 1 0 292.471 3.081 10 0 CGAERO Cc1cc(N2C[C@H](C)[C@H]([NH+](C)C)C2)c2cccc(F)c2n1 ZINC000301682357 274713756 /nfs/dbraw/zinc/71/37/56/274713756.db2.gz SLWSRLVBFXGSEP-MEDUHNTESA-N 1 0 287.382 3.069 10 0 CGAERO Clc1ccc2onc(N3CC[C@@]4(C3)CCC[NH2+]C4)c2c1 ZINC000334993897 274883419 /nfs/dbraw/zinc/88/34/19/274883419.db2.gz FBBGQBPEPCBWIG-HNNXBMFYSA-N 1 0 291.782 3.061 10 0 CGAERO Brc1ccc2c(c1)C1(CCCC1)C[NH2+]C2 ZINC000211572320 275370507 /nfs/dbraw/zinc/37/05/07/275370507.db2.gz LGOBNOMLYSCYOR-UHFFFAOYSA-N 1 0 266.182 3.364 10 0 CGAERO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1ccc2c(c1)CCC2 ZINC000251554451 287834486 /nfs/dbraw/zinc/83/44/86/287834486.db2.gz RDSRDNJVKUPQCP-DOPJRALCSA-N 1 0 273.420 3.377 10 0 CGAERO CC(C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000251342196 287833235 /nfs/dbraw/zinc/83/32/35/287833235.db2.gz QKDOAEJIWZZTIB-TWMKSMIVSA-N 1 0 292.467 3.192 10 0 CGAERO CC(C)C[C@H](C[NH3+])NC(=O)c1cc2c(s1)CCCCC2 ZINC000111829346 275595796 /nfs/dbraw/zinc/59/57/96/275595796.db2.gz QZBXQQPNWQRMSV-CYBMUJFWSA-N 1 0 294.464 3.120 10 0 CGAERO CC1(C)[NH2+]CCn2cc(-c3ccc(Cl)cc3)nc21 ZINC000084625604 275879717 /nfs/dbraw/zinc/87/97/17/275879717.db2.gz YSWAVSOGSGSRHE-UHFFFAOYSA-N 1 0 261.756 3.042 10 0 CGAERO CCC[C@@H]1CCCC[N@@H+]1Cc1ncccc1C(=O)OC ZINC000312196882 276028683 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C[NH2+]Cc1cccc(CN(C)c2cccc(F)c2)c1 ZINC000052544462 522128055 /nfs/dbraw/zinc/12/80/55/522128055.db2.gz AQEWUSPMWDUODN-UHFFFAOYSA-N 1 0 258.340 3.182 10 0 CGAERO CC[C@H]([NH3+])Cc1cnc(-c2ccc(F)c(Cl)c2)nc1 ZINC000062793522 522335556 /nfs/dbraw/zinc/33/55/56/522335556.db2.gz QPKNCZBMBAEPBA-NSHDSACASA-N 1 0 279.746 3.216 10 0 CGAERO C[NH2+][C@@H]1CCCc2nc(N(C)[C@H](C)C(C)C)sc21 ZINC000054904449 522391191 /nfs/dbraw/zinc/39/11/91/522391191.db2.gz NKARNQSZUYOESO-GHMZBOCLSA-N 1 0 267.442 3.221 10 0 CGAERO CC[C@@H](CCOCC(F)(F)F)C[NH2+]CC(C)C ZINC000052974268 522525823 /nfs/dbraw/zinc/52/58/23/522525823.db2.gz SBRMMJIFFUHTHC-NSHDSACASA-N 1 0 255.324 3.227 10 0 CGAERO CNc1ccc(C[NH+]2CCC(C(C)(C)C)CC2)cn1 ZINC000050814485 522610761 /nfs/dbraw/zinc/61/07/61/522610761.db2.gz NWPRVBFTUSZTQT-UHFFFAOYSA-N 1 0 261.413 3.381 10 0 CGAERO CC[C@@H]([NH3+])c1ccccc1OCCOCC(F)(F)F ZINC000049310577 522655326 /nfs/dbraw/zinc/65/53/26/522655326.db2.gz BHSFDGHDVOHLPB-LLVKDONJSA-N 1 0 277.286 3.054 10 0 CGAERO CN(CCC[C@@H]1CCCC[NH2+]1)c1cccc(F)c1 ZINC000050954259 522787310 /nfs/dbraw/zinc/78/73/10/522787310.db2.gz IZRRDVRIMNZHEO-AWEZNQCLSA-N 1 0 250.361 3.184 10 0 CGAERO CC[C@@H]([NH2+]C)c1ccc(OCCOC(C)C)cc1 ZINC000049259080 522807020 /nfs/dbraw/zinc/80/70/20/522807020.db2.gz KTLSLWIGNGLHGP-OAHLLOKOSA-N 1 0 251.370 3.161 10 0 CGAERO COC(=O)CCSc1ccc([C@@H](C)[NH3+])cc1Cl ZINC000061700236 523109252 /nfs/dbraw/zinc/10/92/52/523109252.db2.gz SSXWQUWMVIPCNT-MRVPVSSYSA-N 1 0 273.785 3.015 10 0 CGAERO CCn1cc(CC2(C[NH2+]C3CC3)CCCCC2)cn1 ZINC000054655059 523361873 /nfs/dbraw/zinc/36/18/73/523361873.db2.gz UQNWGJOLUWKLGQ-UHFFFAOYSA-N 1 0 261.413 3.148 10 0 CGAERO CN(Cc1ccco1)c1cc(Cl)ccc1C[NH3+] ZINC000062786792 523439954 /nfs/dbraw/zinc/43/99/54/523439954.db2.gz RKUGBGJUQWRLLH-UHFFFAOYSA-N 1 0 250.729 3.028 10 0 CGAERO CC[C@]1(c2cccc(Cl)c2)C[C@H]1C[NH2+]CCOC ZINC000054599087 523631391 /nfs/dbraw/zinc/63/13/91/523631391.db2.gz MVQUYMQZHHCMNG-DZGCQCFKSA-N 1 0 267.800 3.244 10 0 CGAERO COCC[NH2+]C[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000054598624 523944563 /nfs/dbraw/zinc/94/45/63/523944563.db2.gz LTAKBOKRBVXMCE-BXKDBHETSA-N 1 0 274.191 3.333 10 0 CGAERO C[NH+](C)C1(CN[C@H](c2ccco2)c2ccccc2)CCC1 ZINC000097929519 524037668 /nfs/dbraw/zinc/03/76/68/524037668.db2.gz IFBYTSGDXGOZSQ-KRWDZBQOSA-N 1 0 284.403 3.443 10 0 CGAERO COc1cccc([C@@H]2CC[NH2+][C@@H]2CC(C)C)c1OC ZINC000054929103 524118408 /nfs/dbraw/zinc/11/84/08/524118408.db2.gz BDVSHYWABBUHQK-GXTWGEPZSA-N 1 0 263.381 3.195 10 0 CGAERO COc1cccc([C@](C)([NH3+])c2cc(C)ccc2F)c1 ZINC000055196674 524191009 /nfs/dbraw/zinc/19/10/09/524191009.db2.gz OTUQNFBHZMCLDH-INIZCTEOSA-N 1 0 259.324 3.365 10 0 CGAERO C[C@@H]1CCC[N@@H+]([C@@H]2CCc3ccccc3[C@@H]2O)[C@@H]1C ZINC000050566877 524244828 /nfs/dbraw/zinc/24/48/28/524244828.db2.gz WIVFANSPUYPWAS-KFZJALRRSA-N 1 0 259.393 3.155 10 0 CGAERO COc1ccccc1-c1csc(C[C@H]2CCC[NH2+]2)n1 ZINC000053252746 524278221 /nfs/dbraw/zinc/27/82/21/524278221.db2.gz PISACTDJDQAEOC-LLVKDONJSA-N 1 0 274.389 3.113 10 0 CGAERO Cc1ccc(C[NH3+])cc1NC(=O)c1ccccc1C ZINC000050430673 524424745 /nfs/dbraw/zinc/42/47/45/524424745.db2.gz VHNBEAOMQRTZGT-UHFFFAOYSA-N 1 0 254.333 3.014 10 0 CGAERO C[C@@H]1CC[C@@H](C[NH3+])CN1c1ccc(C(F)(F)F)cc1 ZINC000054187345 524589396 /nfs/dbraw/zinc/58/93/96/524589396.db2.gz MLWSRMCRBDIGBS-MNOVXSKESA-N 1 0 272.314 3.269 10 0 CGAERO C[C@@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)NC(C)(C)CC(C)(C)C ZINC000055141503 524601586 /nfs/dbraw/zinc/60/15/86/524601586.db2.gz NKEWFDAKIMRIMN-UPJWGTAASA-N 1 0 268.445 3.081 10 0 CGAERO C[C@@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccccc1 ZINC000085630626 524754543 /nfs/dbraw/zinc/75/45/43/524754543.db2.gz IWVMTZDJMKVLFH-TUUVXOQKSA-N 1 0 259.393 3.193 10 0 CGAERO Cc1ccc(Cl)cc1NCC1CC[NH+](C)CC1 ZINC000054239468 524757492 /nfs/dbraw/zinc/75/74/92/524757492.db2.gz HPCPEMAGRCUALC-UHFFFAOYSA-N 1 0 252.789 3.402 10 0 CGAERO C[C@H]1C[C@@H](OCc2ccoc2C[NH3+])CC(C)(C)C1 ZINC000052629318 524823069 /nfs/dbraw/zinc/82/30/69/524823069.db2.gz JQAJQZUGNNRCBW-WCQYABFASA-N 1 0 251.370 3.470 10 0 CGAERO C[C@@H]1CN(c2cc(C(F)(F)F)ccc2F)CC[C@@H]1[NH3+] ZINC000062657079 525061445 /nfs/dbraw/zinc/06/14/45/525061445.db2.gz LADYGKITIXGAAK-KCJUWKMLSA-N 1 0 276.277 3.018 10 0 CGAERO COc1ccc([C@@]2(C)C[C@@H]2C[NH2+]CC(C)C)cc1F ZINC000054598036 525284147 /nfs/dbraw/zinc/28/41/47/525284147.db2.gz ZVWMDUNPPHGFPW-CZUORRHYSA-N 1 0 265.372 3.358 10 0 CGAERO COc1ccc([C@H](C[NH3+])Nc2ccc(C)cc2)cc1 ZINC000057544483 525351144 /nfs/dbraw/zinc/35/11/44/525351144.db2.gz VGURDSXQPUDBRV-INIZCTEOSA-N 1 0 256.349 3.116 10 0 CGAERO COc1ccc([C@H]([NH3+])c2cc(C)ccc2F)c(F)c1 ZINC000052982523 525364244 /nfs/dbraw/zinc/36/42/44/525364244.db2.gz PSDUDFSJGLVNHH-HNNXBMFYSA-N 1 0 263.287 3.330 10 0 CGAERO C[C@H]([NH2+]Cc1cccc2c1OC(C)(C)C2)[C@@H]1CCCO1 ZINC000083840342 525460598 /nfs/dbraw/zinc/46/05/98/525460598.db2.gz ZJNHNFZBNVRXLB-WFASDCNBSA-N 1 0 275.392 3.057 10 0 CGAERO COc1ccc2cc(C[NH2+]C[C@@H]3CCC[C@@H]3O)ccc2c1 ZINC000089151439 525632172 /nfs/dbraw/zinc/63/21/72/525632172.db2.gz UWEJOUDRHZLHLJ-WMZOPIPTSA-N 1 0 285.387 3.099 10 0 CGAERO C[C@@H]([NH2+][C@H]1CCCCC[C@@H]1O)c1cccc(F)c1 ZINC000049529893 525675881 /nfs/dbraw/zinc/67/58/81/525675881.db2.gz OKDGDPVLUBROBM-UGFHNGPFSA-N 1 0 251.345 3.170 10 0 CGAERO Cc1c(Cl)cccc1N1CC[C@@H](C[NH2+]C2CC2)C1 ZINC000053011000 525759216 /nfs/dbraw/zinc/75/92/16/525759216.db2.gz UDYIFTIDJGOWGV-LBPRGKRZSA-N 1 0 264.800 3.227 10 0 CGAERO CSc1ccc(N2CC[C@H](C[NH2+]C(C)C)C2)cc1 ZINC000053011550 526022761 /nfs/dbraw/zinc/02/27/61/526022761.db2.gz SPVOHRJTKSBRMG-CYBMUJFWSA-N 1 0 264.438 3.233 10 0 CGAERO COc1cccc(N(C)CCC[C@H]2CCCC[NH2+]2)c1 ZINC000050954163 526129563 /nfs/dbraw/zinc/12/95/63/526129563.db2.gz ZKEJTSLSAROBHA-CQSZACIVSA-N 1 0 262.397 3.054 10 0 CGAERO Cc1nn([C@@H](c2ccccc2)[C@H](C)[NH3+])c(C)c1Cl ZINC000050586044 526302713 /nfs/dbraw/zinc/30/27/13/526302713.db2.gz LTXLWDIBWLTBFY-LKFCYVNXSA-N 1 0 263.772 3.090 10 0 CGAERO Cc1nn([C@@H](c2ccccc2)[C@@H](C)[NH3+])c(C)c1Cl ZINC000050586041 526302970 /nfs/dbraw/zinc/30/29/70/526302970.db2.gz LTXLWDIBWLTBFY-YMTOWFKASA-N 1 0 263.772 3.090 10 0 CGAERO Cc1csc(C[C@H]([NH3+])Cc2ccccc2Cl)n1 ZINC000055267485 526367175 /nfs/dbraw/zinc/36/71/75/526367175.db2.gz UDDKATGAHIBCAI-LLVKDONJSA-N 1 0 266.797 3.217 10 0 CGAERO Cc1nc(C[C@@H]([NH3+])c2cc(C)ccc2F)cs1 ZINC000055294751 526917872 /nfs/dbraw/zinc/91/78/72/526917872.db2.gz UMSSOKQPFUQBGO-CYBMUJFWSA-N 1 0 250.342 3.142 10 0 CGAERO Clc1ccccc1C[C@@]1(C[NH2+]C2CC2)CCOC1 ZINC000054665176 526990274 /nfs/dbraw/zinc/99/02/74/526990274.db2.gz BOQGCBWFOUNTDG-OAHLLOKOSA-N 1 0 265.784 3.041 10 0 CGAERO Clc1cnc(N[C@@H]2CC[N@@H+]3CCC[C@H]23)c(Cl)c1 ZINC000049569108 526998085 /nfs/dbraw/zinc/99/80/85/526998085.db2.gz OSSXNYLPIXBPSZ-GHMZBOCLSA-N 1 0 272.179 3.037 10 0 CGAERO Clc1cnc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(Cl)c1 ZINC000049568913 526999441 /nfs/dbraw/zinc/99/94/41/526999441.db2.gz PFGZWFAKDUKGKP-NWDGAFQWSA-N 1 0 286.206 3.427 10 0 CGAERO [NH3+]Cc1ncccc1COc1ccc(Cl)c(Cl)c1 ZINC000061657659 527266340 /nfs/dbraw/zinc/26/63/40/527266340.db2.gz ZELMJUANEFUMOT-UHFFFAOYSA-N 1 0 283.158 3.426 10 0 CGAERO Nc1ccc(Cl)c(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)n1 ZINC000061631385 527485853 /nfs/dbraw/zinc/48/58/53/527485853.db2.gz REWHFLVHKDSKLO-FZMZJTMJSA-N 1 0 279.815 3.472 10 0 CGAERO CCOC(=O)CCC[N@@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000124619807 535634229 /nfs/dbraw/zinc/63/42/29/535634229.db2.gz FQNINVANCVCNLC-AWEZNQCLSA-N 1 0 279.380 3.458 10 0 CGAERO CCn1cccc1CNc1cc(C[NH+](C)C)ccc1OC ZINC000091023903 536102360 /nfs/dbraw/zinc/10/23/60/536102360.db2.gz GFAKDAVNPPUFPY-UHFFFAOYSA-N 1 0 287.407 3.190 10 0 CGAERO C[NH2+][C@H](C)c1c(F)cccc1N1CCC[C@H](C)C1 ZINC000034837986 536406701 /nfs/dbraw/zinc/40/67/01/536406701.db2.gz MKIOEOFHQKAYGD-NWDGAFQWSA-N 1 0 250.361 3.342 10 0 CGAERO CC[C@H](O)C[C@H]1C=CC[C@@H](CC(=O)c2ccccc2)[N@@H+]1C ZINC000004098584 560195895 /nfs/dbraw/zinc/19/58/95/560195895.db2.gz SEUNPTJHBYYPOX-IKGGRYGDSA-N 1 0 287.403 3.049 10 0 biogenic,in-vitro CGAERO O=C(C[C@H]1CCC[NH2+]1)c1cc(Cl)sc1Cl ZINC000236070602 570237358 /nfs/dbraw/zinc/23/73/58/570237358.db2.gz WSVFDQZNQFNNRK-ZCFIWIBFSA-N 1 0 264.177 3.380 10 0 CGAERO C[C@H](NC(=O)CC[C@@H]1CCC[NH2+]1)c1ccc(Cl)s1 ZINC000261558765 572344977 /nfs/dbraw/zinc/34/49/77/572344977.db2.gz DIMSOSPOFSBEAX-UWVGGRQHSA-N 1 0 286.828 3.111 10 0 CGAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@@H]1C1CCC(C)(C)CC1 ZINC000757185939 617835890 /nfs/dbraw/zinc/83/58/90/617835890.db2.gz BQYFJOJPPKNAQA-KGLIPLIRSA-N 1 0 281.440 3.380 10 0 CGAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@@H]1c1cc(Cl)ccc1F ZINC000757185702 617836388 /nfs/dbraw/zinc/83/63/88/617836388.db2.gz ZVZXJMLZFMLZOD-VXGBXAGGSA-N 1 0 299.773 3.124 10 0 CGAERO Cc1cc([C@H](C)NC(=O)[C@H]2CCCC[C@@H]2C[NH3+])c(C)s1 ZINC000089388833 618132806 /nfs/dbraw/zinc/13/28/06/618132806.db2.gz MLINOFTWWODNIM-YUTCNCBUSA-N 1 0 294.464 3.307 10 0 CGAERO [NH3+][C@H]1CCc2cc(-c3ccc4c(c3)OCC4)ccc21 ZINC000308439989 618219461 /nfs/dbraw/zinc/21/94/61/618219461.db2.gz CJDDMCCICFRNGZ-INIZCTEOSA-N 1 0 251.329 3.235 10 0 CGAERO CCN(CC)[C@@H](C)C[NH2+][C@H](C)CSC(C)(C)C ZINC000127574943 618620855 /nfs/dbraw/zinc/62/08/55/618620855.db2.gz WOHBGTDICXZEDT-OLZOCXBDSA-N 1 0 260.491 3.227 10 0 CGAERO C[C@@H](O)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1Br ZINC000309962636 619046611 /nfs/dbraw/zinc/04/66/11/619046611.db2.gz LZRDYXGDDBUEKG-HRDYMLBCSA-N 1 0 290.176 3.008 10 0 CGAERO C[C@@H](O)[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000309990512 619060283 /nfs/dbraw/zinc/06/02/83/619060283.db2.gz ZZOXVKOSJHCJCC-HRDYMLBCSA-N 1 0 262.180 3.413 10 0 CGAERO C[C@H]([NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C)C1CC1 ZINC000187754447 619133915 /nfs/dbraw/zinc/13/39/15/619133915.db2.gz KSDJXTCVHVYAAJ-OBJOEFQTSA-N 1 0 282.428 3.163 10 0 CGAERO CCOC(C[NH2+][C@@H](C)c1ccccc1C)OCC ZINC000093447503 619195666 /nfs/dbraw/zinc/19/56/66/619195666.db2.gz DSTHRFKMEVYPPD-ZDUSSCGKSA-N 1 0 251.370 3.045 10 0 CGAERO CCC[C@@H]1C[C@H]1[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000233306755 619295039 /nfs/dbraw/zinc/29/50/39/619295039.db2.gz ZFJHZNGUFMSSLU-LERXQTSPSA-N 1 0 298.224 3.261 10 0 CGAERO C[C@@H](C[NH3+])c1noc(-c2ccc(Cl)cc2Cl)n1 ZINC000054158735 619444447 /nfs/dbraw/zinc/44/44/47/619444447.db2.gz DICAQXRARPSOJL-LURJTMIESA-N 1 0 272.135 3.106 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)[C@H]1C[C@H]1C ZINC000321478635 620310163 /nfs/dbraw/zinc/31/01/63/620310163.db2.gz ISJNHWMGTXGPDN-CAEXGNQWSA-N 1 0 296.455 3.314 10 0 CGAERO C[C@H](C[C@H]1CCC(=O)N1)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000310882151 620329072 /nfs/dbraw/zinc/32/90/72/620329072.db2.gz WDOPOVSVIQZMKZ-KXUCPTDWSA-N 1 0 286.828 3.109 10 0 CGAERO Cc1ccc(Br)cc1CC[NH2+]C1CC1 ZINC000083256510 620621410 /nfs/dbraw/zinc/62/14/10/620621410.db2.gz PKCLUBWUXNZCEF-UHFFFAOYSA-N 1 0 254.171 3.052 10 0 CGAERO CC(=O)[C@H]1CCC[N@H+](CC/C=C/c2ccccc2)C1 ZINC000323667614 621126085 /nfs/dbraw/zinc/12/60/85/621126085.db2.gz DWKZJLCNDNYIMN-HQWZXOHUSA-N 1 0 257.377 3.391 10 0 CGAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]C[C@H](O)C1CC1 ZINC000156746946 622842358 /nfs/dbraw/zinc/84/23/58/622842358.db2.gz PRUISWQWEAKWEU-JKSUJKDBSA-N 1 0 259.393 3.061 10 0 CGAERO CC1(C)C[C@H]1c1noc(CC[C@@H]([NH3+])c2ccccc2)n1 ZINC000225472109 622912011 /nfs/dbraw/zinc/91/20/11/622912011.db2.gz KCTBUGVLLKKSIV-QWHCGFSZSA-N 1 0 271.364 3.216 10 0 CGAERO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000230168030 623214250 /nfs/dbraw/zinc/21/42/50/623214250.db2.gz HPFQIGSYGYXZCA-GJZGRUSLSA-N 1 0 294.439 3.189 10 0 CGAERO C[C@H]([NH2+]C[C@H]1COC(C)(C)O1)c1ccc(F)c(Cl)c1 ZINC000230209223 623220898 /nfs/dbraw/zinc/22/08/98/623220898.db2.gz LLJVTNLCNWIFSG-ONGXEEELSA-N 1 0 287.762 3.281 10 0 CGAERO C[C@H](NC(=O)[C@@]1(C)CC[NH2+]C1)c1ccc(C(C)(C)C)cc1 ZINC000062891806 623275722 /nfs/dbraw/zinc/27/57/22/623275722.db2.gz WKJJOPDGMUECPI-UGSOOPFHSA-N 1 0 288.435 3.161 10 0 CGAERO Cc1cnn(CC[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC000231323863 623314426 /nfs/dbraw/zinc/31/44/26/623314426.db2.gz JHYAULSWEAKQFM-ARFHVFGLSA-N 1 0 261.413 3.140 10 0 CGAERO Cc1ccc(Cl)c(NC(=O)[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000232211582 623370488 /nfs/dbraw/zinc/37/04/88/623370488.db2.gz RQELXKLQMFIIPV-RYUDHWBXSA-N 1 0 280.799 3.352 10 0 CGAERO C[C@H](CC[NH2+][C@H](C)C(C)(C)C)NC(=O)OC(C)(C)C ZINC000180516222 624758453 /nfs/dbraw/zinc/75/84/53/624758453.db2.gz AWNDYFLOWZRQOW-VXGBXAGGSA-N 1 0 272.433 3.314 10 0 CGAERO O[C@@H](C[NH2+][C@H]1COc2ccccc21)c1ccc(Cl)cc1 ZINC000070529880 625014382 /nfs/dbraw/zinc/01/43/82/625014382.db2.gz DWXKMBHZEHBGDN-GJZGRUSLSA-N 1 0 289.762 3.097 10 0 CGAERO C[C@@H](NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1Cl ZINC000070577641 625021557 /nfs/dbraw/zinc/02/15/57/625021557.db2.gz PYKWFUKCAJCXBP-UTUOFQBUSA-N 1 0 280.799 3.035 10 0 CGAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCC1(C)OCCO1 ZINC000183887745 625163421 /nfs/dbraw/zinc/16/34/21/625163421.db2.gz UTIPQOGWMMXEFJ-KBPBESRZSA-N 1 0 269.429 3.334 10 0 CGAERO Cc1nn(C)c2sc(C3=CC[C@](C)([NH3+])CC3)cc12 ZINC000757573715 630510058 /nfs/dbraw/zinc/51/00/58/630510058.db2.gz 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CC(C)N1C[C@@H](C)[C@H]([NH2+][C@H](C)CSC(C)(C)C)C1 ZINC000246508103 640679171 /nfs/dbraw/zinc/67/91/71/640679171.db2.gz TXFHJEGQGJDFFF-MGPQQGTHSA-N 1 0 272.502 3.225 10 0 CGAERO CC(C)CC1(c2nc([C@H]3CCC[NH2+]C3)no2)CCCC1 ZINC000094908445 640804772 /nfs/dbraw/zinc/80/47/72/640804772.db2.gz HAKKSGBMHXKZBL-ZDUSSCGKSA-N 1 0 277.412 3.395 10 0 CGAERO Cc1cc2c(nc(C)nc2NCC[NH+]2CCCCC2)s1 ZINC000096205028 640824663 /nfs/dbraw/zinc/82/46/63/640824663.db2.gz ZHSQAAKXWDHMEQ-UHFFFAOYSA-N 1 0 290.436 3.206 10 0 CGAERO C[NH2+]Cc1sc(Cc2ccc(Cl)cc2)nc1COC ZINC000082445228 178021595 /nfs/dbraw/zinc/02/15/95/178021595.db2.gz QCEBLKJEKCOJCT-UHFFFAOYSA-N 1 0 296.823 3.253 10 0 CGAERO CC[NH2+]Cc1sc(-c2ccc(OC)cc2)nc1COC ZINC000082446418 178023806 /nfs/dbraw/zinc/02/38/06/178023806.db2.gz IEYDLYIUTMMQQY-UHFFFAOYSA-N 1 0 292.404 3.075 10 0 CGAERO CC(C)(C)OC(=O)n1cc(CCC[NH3+])c2ccccc21 ZINC000095751232 185025787 /nfs/dbraw/zinc/02/57/87/185025787.db2.gz OGBNYEGWCOIVEV-UHFFFAOYSA-N 1 0 274.364 3.316 10 0 CGAERO C[C@@H]([NH3+])c1c[nH]c(-c2ccc(Cl)c(Cl)c2)n1 ZINC000082517043 178078505 /nfs/dbraw/zinc/07/85/05/178078505.db2.gz KOUDWGOPXKUSBX-ZCFIWIBFSA-N 1 0 256.136 3.403 10 0 CGAERO COC(=O)[C@H](C)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000127707372 187327739 /nfs/dbraw/zinc/32/77/39/187327739.db2.gz YULPCDXNYLRUNV-RYUDHWBXSA-N 1 0 296.436 3.007 10 0 CGAERO Fc1cccc(-n2ncc(C[NH2+]C3CC3)c2C(F)(F)F)c1 ZINC000082661942 178150378 /nfs/dbraw/zinc/15/03/78/178150378.db2.gz MPRIVEMPPHVOTF-UHFFFAOYSA-N 1 0 299.271 3.282 10 0 CGAERO CC[C@@H]([NH2+][C@@H]1CCCc2ccc(OC)cc21)C(C)(C)O ZINC000294967473 199274145 /nfs/dbraw/zinc/27/41/45/199274145.db2.gz JRAINYAZXJGLBP-HZPDHXFCSA-N 1 0 277.408 3.212 10 0 CGAERO C[NH2+]C[C@@H](C)c1cc(OC)c(C(C)C)cc1OC ZINC000096889942 185123981 /nfs/dbraw/zinc/12/39/81/185123981.db2.gz XKQVJQKAGHIHFA-LLVKDONJSA-N 1 0 251.370 3.150 10 0 CGAERO CC1(C)[C@H](C[NH3+])[C@H]1c1ccc(Br)cc1 ZINC000096958905 185142597 /nfs/dbraw/zinc/14/25/97/185142597.db2.gz HIJKBVZOPSSWDF-GHMZBOCLSA-N 1 0 254.171 3.147 10 0 CGAERO Cc1cnccc1C[NH2+][C@@H](C)CN(C)Cc1ccccc1 ZINC000294975294 199278904 /nfs/dbraw/zinc/27/89/04/199278904.db2.gz FVLNMGJAQSSLLH-INIZCTEOSA-N 1 0 283.419 3.000 10 0 CGAERO Cn1cc(C[NH2+][C@@H]2c3ccccc3CCC2(C)C)cn1 ZINC000126158553 187220547 /nfs/dbraw/zinc/22/05/47/187220547.db2.gz HSCZZCUPQMEKBC-MRXNPFEDSA-N 1 0 269.392 3.223 10 0 CGAERO Cc1cccc2c(N3CCC[C@@H]([C@H](C)O)C3)cc[nH+]c12 ZINC000301750685 136438440 /nfs/dbraw/zinc/43/84/40/136438440.db2.gz ARAVRRXYKNOQGR-UONOGXRCSA-N 1 0 270.376 3.140 10 0 CGAERO Cc1ccc([C@](O)(c2ccccc2)[C@@H](C)C[NH+](C)C)cc1 ZINC000003642284 344858614 /nfs/dbraw/zinc/85/86/14/344858614.db2.gz KOSOOUWMXGSCPH-QFBILLFUSA-N 1 0 283.415 3.429 10 0 CGAERO CCNc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000013488077 344880576 /nfs/dbraw/zinc/88/05/76/344880576.db2.gz PWRLUVIRGGDEJK-UHFFFAOYSA-N 1 0 253.349 3.076 10 0 CGAERO COc1cc(N)cc(Cl)c1OCC[N@@H+]1CCC[C@@H](C)C1 ZINC000033882198 344936399 /nfs/dbraw/zinc/93/63/99/344936399.db2.gz YBUWLNZYHNUJAC-LLVKDONJSA-N 1 0 298.814 3.042 10 0 CGAERO [NH3+]CCc1cccc(OCc2ccc3ccccc3n2)c1 ZINC000037721266 344952730 /nfs/dbraw/zinc/95/27/30/344952730.db2.gz ZCDJXGVRPXIYES-UHFFFAOYSA-N 1 0 278.355 3.315 10 0 CGAERO CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)CC12CC3CC(CC(C3)C1)C2 ZINC000037809803 344952940 /nfs/dbraw/zinc/95/29/40/344952940.db2.gz MIOJANQHQDHLPR-LIFKJRKOSA-N 1 0 292.467 3.035 10 0 CGAERO C[C@H](Cc1ccc(F)cc1Br)[C@H](C)[NH3+] ZINC000037947517 344954097 /nfs/dbraw/zinc/95/40/97/344954097.db2.gz KTKQOPYXMQEWJZ-SFYZADRCSA-N 1 0 260.150 3.114 10 0 CGAERO C[C@@H]([NH3+])[C@@H](C)Cc1ccc(F)cc1Br ZINC000037947514 344954267 /nfs/dbraw/zinc/95/42/67/344954267.db2.gz KTKQOPYXMQEWJZ-JGVFFNPUSA-N 1 0 260.150 3.114 10 0 CGAERO [NH3+]Cc1cnc(-c2cc(Br)cs2)s1 ZINC000040996824 344967008 /nfs/dbraw/zinc/96/70/08/344967008.db2.gz ZIYHKQZRKGZGBV-UHFFFAOYSA-N 1 0 275.196 3.093 10 0 CGAERO CCCCOc1ccc(C[NH2+][C@H]2CCC[C@H](O)C2)cc1 ZINC000037163786 344948235 /nfs/dbraw/zinc/94/82/35/344948235.db2.gz XXPHVPBTVOEQII-HOTGVXAUSA-N 1 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YHKMXUUJUOUQFQ-UHFFFAOYSA-N 1 0 273.298 3.222 10 0 CGAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1ccc(Cl)c(Cl)c1 ZINC000054305602 345132240 /nfs/dbraw/zinc/13/22/40/345132240.db2.gz RFCHWKGAHGAZAX-VIFPVBQESA-N 1 0 287.190 3.322 10 0 CGAERO Brc1ccsc1C[C@@H]1CCCC[NH2+]1 ZINC000062772388 345239967 /nfs/dbraw/zinc/23/99/67/345239967.db2.gz HACFWPYPWJWSPF-QMMMGPOBSA-N 1 0 260.200 3.195 10 0 CGAERO NC1([NH3+])CCC(c2ccccc2)(c2ccccc2)CC1 ZINC000060299568 345212360 /nfs/dbraw/zinc/21/23/60/345212360.db2.gz MXMMKCKGERIECY-UHFFFAOYSA-N 1 0 266.388 3.160 10 0 CGAERO C[C@@H]1CN(C(c2ccccc2)c2ccccc2)C[C@@H](C)[NH2+]1 ZINC000070075537 345388413 /nfs/dbraw/zinc/38/84/13/345388413.db2.gz MRPMOZREZHZBGN-HZPDHXFCSA-N 1 0 280.415 3.458 10 0 CGAERO [NH3+][C@H](Cc1cccs1)c1occc1Br ZINC000068982922 345369608 /nfs/dbraw/zinc/36/96/08/345369608.db2.gz VERDYBQNZVAPJU-SECBINFHSA-N 1 0 272.167 3.346 10 0 CGAERO CC[C@@H]1CC[NH2+][C@H](c2occc2Br)C1 ZINC000069940733 345386813 /nfs/dbraw/zinc/38/68/13/345386813.db2.gz QBKUSKPJUFBOTM-SCZZXKLOSA-N 1 0 258.159 3.493 10 0 CGAERO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)C(C)C ZINC000078606826 345615887 /nfs/dbraw/zinc/61/58/87/345615887.db2.gz FCHOJGMNGDUBID-KKUMJFAQSA-N 1 0 276.424 3.195 10 0 CGAERO CC(C)CC[N@H+](C)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000079832287 345655886 /nfs/dbraw/zinc/65/58/86/345655886.db2.gz MTRAJKYPUBPNTN-INIZCTEOSA-N 1 0 299.842 3.195 10 0 CGAERO OCCC1(C[NH2+][C@@H](c2ccco2)c2ccccc2)CC1 ZINC000157444217 232232971 /nfs/dbraw/zinc/23/29/71/232232971.db2.gz CWUQTBXZKZLZID-MRXNPFEDSA-N 1 0 271.360 3.121 10 0 CGAERO C[NH+](C)CCOc1ccc(OCc2ccccc2)cc1 ZINC000090502636 345788908 /nfs/dbraw/zinc/78/89/08/345788908.db2.gz PAAWFMOGQUVFJD-UHFFFAOYSA-N 1 0 271.360 3.206 10 0 CGAERO Cc1cc(C)cc(NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000106425075 345930691 /nfs/dbraw/zinc/93/06/91/345930691.db2.gz VGIGKSACKSIKNW-SFHVURJKSA-N 1 0 296.414 3.415 10 0 CGAERO CC[C@H](C1=[NH+]CCN1)c1cccc(C(F)(F)F)c1 ZINC000114912610 345967506 /nfs/dbraw/zinc/96/75/06/345967506.db2.gz AUWVNORHVQLMKD-NSHDSACASA-N 1 0 256.271 3.201 10 0 CGAERO CN(C(=O)Oc1ccccc1)c1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC000117730729 345985954 /nfs/dbraw/zinc/98/59/54/345985954.db2.gz MSPODYPAGSRWBS-OAHLLOKOSA-N 1 0 296.370 3.399 10 0 CGAERO CCOC1CC([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC000124455989 346012685 /nfs/dbraw/zinc/01/26/85/346012685.db2.gz GSUICCAUMOIKFQ-MMVSWEMESA-N 1 0 265.319 3.265 10 0 CGAERO CC[C@H]([NH3+])[C@@H](C)c1cc(Br)ccc1F ZINC000132292129 346070724 /nfs/dbraw/zinc/07/07/24/346070724.db2.gz LPIQQWSYSHOAHS-CPCISQLKSA-N 1 0 260.150 3.429 10 0 CGAERO CC[C@H](C)[C@H]([NH3+])c1ccc(I)cc1 ZINC000132792018 346073816 /nfs/dbraw/zinc/07/38/16/346073816.db2.gz LFLIAKIGULXFJH-KWQFWETISA-N 1 0 289.160 3.337 10 0 CGAERO C[NH2+][C@H]1CSC[C@@H]1Cc1sccc1Br ZINC000134596021 346083350 /nfs/dbraw/zinc/08/33/50/346083350.db2.gz RMQROOVYSUUDDE-CBAPKCEASA-N 1 0 292.267 3.004 10 0 CGAERO C[C@H]1CC[NH2+]C[C@@H]1Cc1sccc1Br ZINC000135529688 346088146 /nfs/dbraw/zinc/08/81/46/346088146.db2.gz PMCOLCVASWUNDK-IUCAKERBSA-N 1 0 274.227 3.299 10 0 CGAERO CCOC(=O)[C@H]1CC(C)=C(C)CN1Cc1ccccc1 ZINC000136353241 346090854 /nfs/dbraw/zinc/09/08/54/346090854.db2.gz OYDPLHPOWXDVJU-MRXNPFEDSA-N 1 0 273.376 3.160 10 0 CGAERO CC(=O)Nc1[nH+]c(C)c2c3ccccc3[nH]c2c1C ZINC000136892882 346092318 /nfs/dbraw/zinc/09/23/18/346092318.db2.gz YZIXJWKBIJOQPN-UHFFFAOYSA-N 1 0 253.305 3.291 10 0 CGAERO [NH3+]C[C@@H]1Cc2cccc(-c3ccc(F)c(Cl)c3)c2O1 ZINC000137244655 346093518 /nfs/dbraw/zinc/09/35/18/346093518.db2.gz JVFXJRDCKSRODA-NSHDSACASA-N 1 0 277.726 3.408 10 0 CGAERO C[NH2+]C[C@H]1C[C@@H]1c1ccc(Cl)c(Br)c1 ZINC000137241530 346093523 /nfs/dbraw/zinc/09/35/23/346093523.db2.gz PTZDSTKOUPZSPR-RKDXNWHRSA-N 1 0 274.589 3.425 10 0 CGAERO C[C@H]([NH2+][C@@H]1CC1(C)C)c1ccc(Br)o1 ZINC000131686385 346066625 /nfs/dbraw/zinc/06/66/25/346066625.db2.gz SBQGDZAWUQAYEK-IONNQARKSA-N 1 0 258.159 3.491 10 0 CGAERO O[C@@]12CCCC[C@@H]1CCC[C@@H]2[NH2+]Cc1ccccc1 ZINC000144770388 346119001 /nfs/dbraw/zinc/11/90/01/346119001.db2.gz MWNOTFFYBJBMBU-IKGGRYGDSA-N 1 0 259.393 3.250 10 0 CGAERO C[NH2+]C[C@H]1Cc2cccc(-c3ccccc3C)c2O1 ZINC000167397315 346188742 /nfs/dbraw/zinc/18/87/42/346188742.db2.gz XTTDVCMQXBRVRJ-CQSZACIVSA-N 1 0 253.345 3.185 10 0 CGAERO CC(=O)NC(C)(C)C[C@H](CC(C)(C)C)C1CC[NH2+]CC1 ZINC000201829749 346280753 /nfs/dbraw/zinc/28/07/53/346280753.db2.gz AGGWFQQQZGDFSD-HNNXBMFYSA-N 1 0 282.472 3.343 10 0 CGAERO Nc1ccc(OC[C@H]2CCC[N@@H+]3CCCC[C@H]23)c(F)c1 ZINC000224889325 346302421 /nfs/dbraw/zinc/30/24/21/346302421.db2.gz MJPGNLJUEJRUOL-IUODEOHRSA-N 1 0 278.371 3.051 10 0 CGAERO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](C(C)(C)C)C1 ZINC000225290370 346303394 /nfs/dbraw/zinc/30/33/94/346303394.db2.gz IQJCDAIRIPYTEA-GFCCVEGCSA-N 1 0 270.417 3.022 10 0 CGAERO CCC[NH+](CCC)[C@H]1CCc2c(O)c(OC)ccc2C1 ZINC000225508232 346304824 /nfs/dbraw/zinc/30/48/24/346304824.db2.gz JPWKBPOLEDXJRZ-AWEZNQCLSA-N 1 0 277.408 3.380 10 0 CGAERO CC[C@@]1(Cc2occc2Br)CCC[NH2+]1 ZINC000234014683 346330846 /nfs/dbraw/zinc/33/08/46/346330846.db2.gz PBDMUSZCVNONLX-NSHDSACASA-N 1 0 258.159 3.117 10 0 CGAERO OCc1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1 ZINC000227461899 346308753 /nfs/dbraw/zinc/30/87/53/346308753.db2.gz PYRQDAJAWQXUDK-UHFFFAOYSA-N 1 0 271.404 3.093 10 0 CGAERO CC(C)(C)OC(=O)Nc1cccc(N[C@@H]2CC[C@@H]([NH3+])C2)c1 ZINC000227589806 346310100 /nfs/dbraw/zinc/31/01/00/346310100.db2.gz CQLIKOOPLBZXHJ-BXUZGUMPSA-N 1 0 291.395 3.325 10 0 CGAERO C[NH2+][C@H](C)c1cc(Br)c(Cl)s1 ZINC000227732386 346310976 /nfs/dbraw/zinc/31/09/76/346310976.db2.gz ASKNHMCUXFBZBL-SCSAIBSYSA-N 1 0 254.580 3.444 10 0 CGAERO C[NH2+]CCc1cc(Br)c(Br)s1 ZINC000227975256 346312746 /nfs/dbraw/zinc/31/27/46/346312746.db2.gz WAEXQHYXYOCCCV-UHFFFAOYSA-N 1 0 299.031 3.035 10 0 CGAERO C[NH2+][C@@H]1C[C@@H](c2cc(Br)cs2)[C@@H]1C ZINC000229871023 346318998 /nfs/dbraw/zinc/31/89/98/346318998.db2.gz SXVXVNYOIOLPJS-NBEYISGCSA-N 1 0 260.200 3.222 10 0 CGAERO Cc1c(Br)cccc1N1CCCC1=[NH2+] ZINC000232248928 346325366 /nfs/dbraw/zinc/32/53/66/346325366.db2.gz WOSMOJDSDFULOZ-UHFFFAOYSA-N 1 0 253.143 3.335 10 0 CGAERO CCCCCC[NH2+]C[C@H](O)CO[C@@H]1CCCC[C@H]1C ZINC000248025453 346373779 /nfs/dbraw/zinc/37/37/79/346373779.db2.gz NYTKIZDLKGORLQ-OWCLPIDISA-N 1 0 271.445 3.113 10 0 CGAERO CCS[C@@H]1CCC[C@H]1[NH2+]Cc1cnc2ccccc2n1 ZINC000300678517 346438584 /nfs/dbraw/zinc/43/85/84/346438584.db2.gz YMBZLNYJFQGKAT-HZPDHXFCSA-N 1 0 287.432 3.394 10 0 CGAERO [NH3+][C@H]1CCCO[C@H]1c1cc(Cl)sc1Cl ZINC000306248681 346452527 /nfs/dbraw/zinc/45/25/27/346452527.db2.gz XQVURGGSVXLOEF-XPUUQOCRSA-N 1 0 252.166 3.234 10 0 CGAERO Brc1ccc([C@H]2[NH2+]C[C@H]2C2CC2)s1 ZINC000307496147 346463205 /nfs/dbraw/zinc/46/32/05/346463205.db2.gz NNBOYOVKDZVHLQ-XVKPBYJWSA-N 1 0 258.184 3.181 10 0 CGAERO C[C@H](COCc1ccccc1)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000390589124 346574539 /nfs/dbraw/zinc/57/45/39/346574539.db2.gz OLRVHVNGFDYSHG-GDBMZVCRSA-N 1 0 277.408 3.139 10 0 CGAERO NC(=[NH2+])c1ccc(N2CCCc3ccccc32)cc1 ZINC000019865916 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256.349 3.421 10 0 CGAERO CC1CCC(N(C)c2ccc(F)cc2C(N)=[NH2+])CC1 ZINC000104241241 185940596 /nfs/dbraw/zinc/94/05/96/185940596.db2.gz JQSMQGYZPNQBNQ-UHFFFAOYSA-N 1 0 263.360 3.125 10 0 CGAERO CC[C@@H]1CCCN1c1ccc(F)cc1C[C@@H](C)[NH3+] ZINC000104274297 185951855 /nfs/dbraw/zinc/95/18/55/185951855.db2.gz RGVZXCQILFGURL-BXUZGUMPSA-N 1 0 250.361 3.094 10 0 CGAERO NC(=[NH2+])CCN(CCc1cccs1)c1ccccc1 ZINC000104273584 185951707 /nfs/dbraw/zinc/95/17/07/185951707.db2.gz GCHBVPBZMNKFFK-UHFFFAOYSA-N 1 0 273.405 3.123 10 0 CGAERO CC[NH2+]Cc1ccc(Sc2cnccn2)cc1C ZINC000104290970 185956680 /nfs/dbraw/zinc/95/66/80/185956680.db2.gz BQSLYKCBVFJFRU-UHFFFAOYSA-N 1 0 259.378 3.046 10 0 CGAERO CCN(Cc1csc(C(C)(C)C)n1)[C@@H]1CCC[NH2+]C1 ZINC000104329622 185971236 /nfs/dbraw/zinc/97/12/36/185971236.db2.gz NKANJLUGLVSMIR-CYBMUJFWSA-N 1 0 281.469 3.015 10 0 CGAERO Cc1ccc([C@H]([C@@H](C)[NH3+])N(C)Cc2scnc2C)s1 ZINC000104441967 186003132 /nfs/dbraw/zinc/00/31/32/186003132.db2.gz LPEXAOKTYZDEPX-YGRLFVJLSA-N 1 0 295.477 3.342 10 0 CGAERO c1ccc(C[N@@H+]2CCC[C@]23CCN(c2cccnc2)C3)cc1 ZINC000090751650 180036610 /nfs/dbraw/zinc/03/66/10/180036610.db2.gz FCAAZQXPKPYKKX-LJQANCHMSA-N 1 0 293.414 3.327 10 0 CGAERO Cc1cccc([C@@H]2C[C@H]([NH3+])CN(C(=O)OC(C)(C)C)C2)c1 ZINC000108199439 186208175 /nfs/dbraw/zinc/20/81/75/186208175.db2.gz ZTGLTEHQNPAFAJ-CABCVRRESA-N 1 0 290.407 3.047 10 0 CGAERO CC[C@H]([NH2+]Cc1ccncc1Br)C(C)C ZINC000631051778 350937374 /nfs/dbraw/zinc/93/73/74/350937374.db2.gz CQXDLGLZDYURQV-LBPRGKRZSA-N 1 0 271.202 3.368 10 0 CGAERO CC[C@](C)(O)C[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000123035138 187067532 /nfs/dbraw/zinc/06/75/32/187067532.db2.gz OUDKMSSVUFZPPZ-KRWDZBQOSA-N 1 0 288.391 3.168 10 0 CGAERO Cc1cnn(CC[NH2+][C@H](C)c2cnc3ccsc3c2)c1 ZINC000124133693 187123477 /nfs/dbraw/zinc/12/34/77/187123477.db2.gz MCGNTHNTRVCGFK-GFCCVEGCSA-N 1 0 286.404 3.152 10 0 CGAERO Cc1cnn(CC[NH2+][C@@H](C)c2ccc(C)cc2C)c1 ZINC000123872465 187112939 /nfs/dbraw/zinc/11/29/39/187112939.db2.gz 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CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccnn2CC)C12CCCC2 ZINC000130121703 138399370 /nfs/dbraw/zinc/39/93/70/138399370.db2.gz KQLDJBQOGIADTC-CVEARBPZSA-N 1 0 291.439 3.073 10 0 CGAERO Cc1c[nH+]ccc1N1CCC[C@H](c2nccs2)C1 ZINC000191980022 138477169 /nfs/dbraw/zinc/47/71/69/138477169.db2.gz MALUVQNGWGNSOT-LBPRGKRZSA-N 1 0 259.378 3.231 10 0 CGAERO Cc1nc(C[C@@H]2CCC[N@@H+](C[C@H]3CCC[C@H](C)C3)C2)no1 ZINC000245644250 138523401 /nfs/dbraw/zinc/52/34/01/138523401.db2.gz ZPGYWYSJZPAYPS-BPUTZDHNSA-N 1 0 291.439 3.459 10 0 CGAERO Cc1cc(C)c(C[N@@H+]2CCS[C@H]3COCC[C@H]32)cc1C ZINC000247272044 138545421 /nfs/dbraw/zinc/54/54/21/138545421.db2.gz YDMDAAHASSSVBB-SJORKVTESA-N 1 0 291.460 3.318 10 0 CGAERO COc1cc(C[NH2+][C@@H]2COc3ccccc32)ccc1C ZINC000177987692 189083403 /nfs/dbraw/zinc/08/34/03/189083403.db2.gz ZJLNWJAEOGUPKC-OAHLLOKOSA-N 1 0 269.344 3.227 10 0 CGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1C/C=C/c1ccccc1 ZINC000178333881 189107923 /nfs/dbraw/zinc/10/79/23/189107923.db2.gz BTJZUZGOBWFCRL-QKYXPGDISA-N 1 0 281.403 3.369 10 0 CGAERO CCCC[C@H](COC)[NH2+][C@@H]1CCOc2ccccc21 ZINC000178276014 189102485 /nfs/dbraw/zinc/10/24/85/189102485.db2.gz SRYVHZWILBNQAP-UKRRQHHQSA-N 1 0 263.381 3.305 10 0 CGAERO Cc1csc(=O)n1CC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000181068871 189287832 /nfs/dbraw/zinc/28/78/32/189287832.db2.gz SEPHHDDRAKOCAB-NSHDSACASA-N 1 0 296.823 3.222 10 0 CGAERO CCOC[C@@H]1CCN(c2cc[nH+]c3c(C)cccc23)C1 ZINC000301652868 201115470 /nfs/dbraw/zinc/11/54/70/201115470.db2.gz GYDXBSUAASOMHL-CQSZACIVSA-N 1 0 270.376 3.406 10 0 CGAERO Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C)[C@@H]3CCCO3)cc2)n1 ZINC000183129352 189347481 /nfs/dbraw/zinc/34/74/81/189347481.db2.gz GJYTVXWXFWCRFH-YJBOKZPZSA-N 1 0 299.418 3.146 10 0 CGAERO C[C@@H]([NH2+]Cc1nc2ccccc2n1C(F)F)[C@H]1CCCO1 ZINC000183134753 189348064 /nfs/dbraw/zinc/34/80/64/189348064.db2.gz QXXGBAPEGUYTMO-ZWNOBZJWSA-N 1 0 295.333 3.089 10 0 CGAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]CC[C@H]1CCOC1=O ZINC000183216865 189350128 /nfs/dbraw/zinc/35/01/28/189350128.db2.gz YTZVKJNAYMSCGF-GOEBONIOSA-N 1 0 287.403 3.243 10 0 CGAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]CC[C@@H]1CCOC1=O ZINC000183216829 189350450 /nfs/dbraw/zinc/35/04/50/189350450.db2.gz YTZVKJNAYMSCGF-GDBMZVCRSA-N 1 0 287.403 3.243 10 0 CGAERO Cc1cccc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000301720959 201159829 /nfs/dbraw/zinc/15/98/29/201159829.db2.gz MOTATGSTYMIDNM-YOEHRIQHSA-N 1 0 281.403 3.322 10 0 CGAERO Cc1cnc(NC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nc1 ZINC000301843706 201229352 /nfs/dbraw/zinc/22/93/52/201229352.db2.gz RRIJQDWKVBRKHC-WBVHZDCISA-N 1 0 296.418 3.108 10 0 CGAERO Cc1nc(CN(C)c2c(C)c(C)[nH+]c3ccccc32)no1 ZINC000302087132 201336921 /nfs/dbraw/zinc/33/69/21/201336921.db2.gz ACOQWEXEEOAEJT-UHFFFAOYSA-N 1 0 282.347 3.179 10 0 CGAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)NCc1cccs1 ZINC000120019379 370731553 /nfs/dbraw/zinc/73/15/53/370731553.db2.gz SZBPXGUCBGPSAE-ZDUSSCGKSA-N 1 0 288.416 3.024 10 0 CGAERO Cc1nc2c(s1)[C@@H]([NH2+][C@H](CC(C)C)CN(C)C)CCC2 ZINC000120356000 370760223 /nfs/dbraw/zinc/76/02/23/370760223.db2.gz WHLLIGLIJAPHJO-HIFRSBDPSA-N 1 0 295.496 3.395 10 0 CGAERO CC[C@@H](C)C[N@@H+]1CCCN(Cc2csc(C)n2)CC1 ZINC000120523891 370776713 /nfs/dbraw/zinc/77/67/13/370776713.db2.gz NMGZQNTYAVFEPX-CYBMUJFWSA-N 1 0 281.469 3.005 10 0 CGAERO COc1ccc([C@H](C)[NH2+][C@H]2CN(C(C)C)C[C@H]2C)cc1 ZINC000120932357 370814735 /nfs/dbraw/zinc/81/47/35/370814735.db2.gz AFCVTYGGBJFUDY-KEYYUXOJSA-N 1 0 276.424 3.075 10 0 CGAERO CC(C)=CCN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121355593 370854089 /nfs/dbraw/zinc/85/40/89/370854089.db2.gz CFBJKUHOHGSPDC-IUODEOHRSA-N 1 0 267.319 3.039 10 0 CGAERO COc1cc2cccnc2c(NCCCC2CC[NH2+]CC2)c1 ZINC000001640916 368426467 /nfs/dbraw/zinc/42/64/67/368426467.db2.gz KRSXFOHQMJXUOC-UHFFFAOYSA-N 1 0 299.418 3.435 10 0 CGAERO COCCC[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000013722182 368663450 /nfs/dbraw/zinc/66/34/50/368663450.db2.gz JAUPPVSMNRKOJS-UHFFFAOYSA-N 1 0 285.387 3.392 10 0 CGAERO COc1ccc(OCC[NH2+][C@H]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000016293969 368711576 /nfs/dbraw/zinc/71/15/76/368711576.db2.gz MPRONTYUTNVFNX-ZQIUZPCESA-N 1 0 277.408 3.488 10 0 CGAERO CC(C)(C)[NH2+]CC(=O)Nc1cccc(Cl)c1Cl ZINC000016473577 368713420 /nfs/dbraw/zinc/71/34/20/368713420.db2.gz YCAMBQNICJQWQG-UHFFFAOYSA-N 1 0 275.179 3.320 10 0 CGAERO COc1ccc2c(c1)[C@]13CCCC[C@H]1[C@H](C2)[NH2+]CC3 ZINC000017175731 368729584 /nfs/dbraw/zinc/72/95/84/368729584.db2.gz ILNSWVUXAPSPEH-XIRDDKMYSA-N 1 0 257.377 3.041 10 0 CGAERO CC(C)C[C@H]([NH3+])C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000019809616 368768556 /nfs/dbraw/zinc/76/85/56/368768556.db2.gz JVGZUANENKCNFB-LIFKJRKOSA-N 1 0 292.467 3.081 10 0 CGAERO c1ccc2c(c1)N[C@H](N1CC[NH2+]CC1)c1ccccc1S2 ZINC000021993114 368811300 /nfs/dbraw/zinc/81/13/00/368811300.db2.gz UYOUMSNISYOKQW-QGZVFWFLSA-N 1 0 297.427 3.167 10 0 CGAERO C[C@@H]([NH2+]Cc1cnn(C)c1)C12CC3CC(CC(C3)C1)C2 ZINC000020074960 368798325 /nfs/dbraw/zinc/79/83/25/368798325.db2.gz BXSIDXTUKCFZQI-JISDDCRVSA-N 1 0 273.424 3.115 10 0 CGAERO CC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]2n1cccc1 ZINC000029315446 368894244 /nfs/dbraw/zinc/89/42/44/368894244.db2.gz PVXDYWQXFSVTML-QGZVFWFLSA-N 1 0 282.387 3.324 10 0 CGAERO COc1cccc([C@H]([NH3+])c2ccc(Cl)s2)c1 ZINC000034939195 368981883 /nfs/dbraw/zinc/98/18/83/368981883.db2.gz QPWGINMAIPYEDC-LBPRGKRZSA-N 1 0 253.754 3.458 10 0 CGAERO c1ccc2c(c1)[nH]c1c2CC[NH2+][C@H]1c1ccc2c(c1)CCO2 ZINC000036478785 369022778 /nfs/dbraw/zinc/02/27/78/369022778.db2.gz RQEHSDWWBXNMPR-SFHVURJKSA-N 1 0 290.366 3.338 10 0 CGAERO COc1ccc([C@@H]([NH3+])c2cccnc2)c2ccccc12 ZINC000034973362 368985583 /nfs/dbraw/zinc/98/55/83/368985583.db2.gz NVNDDSNKLDUBCK-KRWDZBQOSA-N 1 0 264.328 3.292 10 0 CGAERO COC(=O)CC[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC000037300726 369081755 /nfs/dbraw/zinc/08/17/55/369081755.db2.gz ZSOMVNIRQOEBES-CYBMUJFWSA-N 1 0 263.381 3.099 10 0 CGAERO Cc1cccc(-c2cc(F)cc3c2O[C@@H](C[NH3+])C3)c1 ZINC000038328139 369146677 /nfs/dbraw/zinc/14/66/77/369146677.db2.gz LWWVNCAOKHGAFL-CQSZACIVSA-N 1 0 257.308 3.063 10 0 CGAERO CCN1CCC[C@H]([NH2+]Cc2ccc3ccccc3c2)C1 ZINC000040501969 369156664 /nfs/dbraw/zinc/15/66/64/369156664.db2.gz NKERQMZHMCGZRX-SFHVURJKSA-N 1 0 268.404 3.414 10 0 CGAERO CCN1CCC[C@H]([NH2+]C2CC(c3ccc(C)cc3)C2)C1 ZINC000040502677 369157642 /nfs/dbraw/zinc/15/76/42/369157642.db2.gz BEFAGJFIUZFTEP-ADKAHSJRSA-N 1 0 272.436 3.315 10 0 CGAERO CCN1CCC[C@@H]([NH2+][C@@H](c2ccccc2)C(C)C)C1 ZINC000040502946 369158104 /nfs/dbraw/zinc/15/81/04/369158104.db2.gz GUVIKUJXSNATIA-IAGOWNOFSA-N 1 0 260.425 3.458 10 0 CGAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc(C)s2)C1 ZINC000040502422 369158286 /nfs/dbraw/zinc/15/82/86/369158286.db2.gz MMHJVNMNKNMTRL-QWHCGFSZSA-N 1 0 252.427 3.191 10 0 CGAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2OC(F)F)C1 ZINC000040502256 369158296 /nfs/dbraw/zinc/15/82/96/369158296.db2.gz VVIIAUQWNXFFON-QWHCGFSZSA-N 1 0 298.377 3.423 10 0 CGAERO CCN1CCC[C@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC000040502469 369158393 /nfs/dbraw/zinc/15/83/93/369158393.db2.gz XNCUGHSAFSCMNM-AWEZNQCLSA-N 1 0 258.365 3.007 10 0 CGAERO [NH3+][C@H](Cc1cccc(Br)c1)CC(F)(F)F ZINC000042413249 369219982 /nfs/dbraw/zinc/21/99/82/369219982.db2.gz VSNZFBHFCUYGCB-SECBINFHSA-N 1 0 282.103 3.271 10 0 CGAERO CCn1nc(C)c([C@H](C)[NH2+]CCOCCC(C)C)c1C ZINC000045172902 369278043 /nfs/dbraw/zinc/27/80/43/369278043.db2.gz DORLNNOLRXPNCN-ZDUSSCGKSA-N 1 0 281.444 3.233 10 0 CGAERO Cc1cccc(C2CC([NH2+][C@@H]3CCCC[C@H]3O)C2)c1 ZINC000051997149 369461529 /nfs/dbraw/zinc/46/15/29/369461529.db2.gz VORCSOSBLPZVNC-BHUNQDJPSA-N 1 0 259.393 3.134 10 0 CGAERO C[C@H]([NH3+])c1cc(Br)cc(Br)c1 ZINC000059782407 369582185 /nfs/dbraw/zinc/58/21/85/369582185.db2.gz DWZJEVRHNGHMTL-YFKPBYRVSA-N 1 0 278.975 3.231 10 0 CGAERO CNc1c2c[nH]nc2ccc1-c1ccc(C(C)(C)[NH3+])cc1 ZINC000059691395 369582282 /nfs/dbraw/zinc/58/22/82/369582282.db2.gz NAYSMEUBXVTSRJ-UHFFFAOYSA-N 1 0 280.375 3.465 10 0 CGAERO C[C@@H]1C[C@H]([NH2+]CCOCC(F)(F)F)CC(C)(C)C1 ZINC000070167197 369785275 /nfs/dbraw/zinc/78/52/75/369785275.db2.gz RGCQQRLOMSZAPT-MNOVXSKESA-N 1 0 267.335 3.370 10 0 CGAERO Fc1ccc(C[NH+]2CCC(Cn3cccn3)CC2)cc1F ZINC000075154707 369896595 /nfs/dbraw/zinc/89/65/95/369896595.db2.gz PMCYGWGLAWHGCW-UHFFFAOYSA-N 1 0 291.345 3.074 10 0 CGAERO COCCCCC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000076074687 369928542 /nfs/dbraw/zinc/92/85/42/369928542.db2.gz ZDOMAALXIJBZRY-ROUUACIJSA-N 1 0 291.435 3.391 10 0 CGAERO Cc1cccc(NC[C@H]2CC[N@H+](C[C@H]3CC=CCC3)C2)n1 ZINC000092813070 370104236 /nfs/dbraw/zinc/10/42/36/370104236.db2.gz YFHJBZDBCMCAHF-DLBZAZTESA-N 1 0 285.435 3.480 10 0 CGAERO Clc1cccc(C[C@H]2COCC[C@@H]2[NH2+]C2CC2)c1 ZINC000095073867 370169757 /nfs/dbraw/zinc/16/97/57/370169757.db2.gz HABDBAAZGHJOKP-WFASDCNBSA-N 1 0 265.784 3.040 10 0 CGAERO OCC1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000095078464 370171191 /nfs/dbraw/zinc/17/11/91/370171191.db2.gz WXICENIEQCNMEX-UHFFFAOYSA-N 1 0 259.393 3.061 10 0 CGAERO C[C@H](c1ccc[nH]1)[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095088745 370172542 /nfs/dbraw/zinc/17/25/42/370172542.db2.gz SPEOWAMFCLELFS-OLZOCXBDSA-N 1 0 293.411 3.017 10 0 CGAERO CC[NH2+]CCC[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095091559 370173309 /nfs/dbraw/zinc/17/33/09/370173309.db2.gz PNGOEWZQZXDUMW-ZDUSSCGKSA-N 1 0 270.417 3.166 10 0 CGAERO Cc1ccc([C@H]2CCCC[N@@H+]2CC2=CCCOC2)o1 ZINC000093443974 370131443 /nfs/dbraw/zinc/13/14/43/370131443.db2.gz NILYFAVPWJFZFB-OAHLLOKOSA-N 1 0 261.365 3.462 10 0 CGAERO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cccn2C)C12CCCC2 ZINC000093611156 370148421 /nfs/dbraw/zinc/14/84/21/370148421.db2.gz QOEHXMFVHHDWHR-HZPDHXFCSA-N 1 0 276.424 3.195 10 0 CGAERO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000104386749 370343372 /nfs/dbraw/zinc/34/33/72/370343372.db2.gz OYFWTUSIGHGEAC-CZUORRHYSA-N 1 0 290.407 3.207 10 0 CGAERO C[C@@H]([NH2+]C[C@@H]1CCN(C)c2ccccc21)c1cccnc1 ZINC000112533980 370430978 /nfs/dbraw/zinc/43/09/78/370430978.db2.gz SBGSZMSJHXOFQF-ZBFHGGJFSA-N 1 0 281.403 3.356 10 0 CGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1coc(-c2ccccc2)n1 ZINC000113268799 370470553 /nfs/dbraw/zinc/47/05/53/370470553.db2.gz KWKWXBWWQNFEKL-RHSMWYFYSA-N 1 0 297.402 3.010 10 0 CGAERO C[C@@H](C[NH+]1CCC(Nc2cccnn2)CC1)c1ccccc1 ZINC000116878771 370572251 /nfs/dbraw/zinc/57/22/51/370572251.db2.gz NCSJFBNTQJJJKJ-HNNXBMFYSA-N 1 0 296.418 3.157 10 0 CGAERO CCCn1cc(C[NH2+][C@@H](C)c2ccccc2C)cn1 ZINC000116912137 370574808 /nfs/dbraw/zinc/57/48/08/370574808.db2.gz KWFNLRIYVPQXAD-AWEZNQCLSA-N 1 0 257.381 3.452 10 0 CGAERO COc1ccc([C@H]2C[C@@H](C)[N@H+](Cc3ccncc3)C2)cc1 ZINC000130638965 371049212 /nfs/dbraw/zinc/04/92/12/371049212.db2.gz XEOVZEKVFBESPB-PBHICJAKSA-N 1 0 282.387 3.468 10 0 CGAERO Cn1ncc(Cl)c1C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000130419917 371031476 /nfs/dbraw/zinc/03/14/76/371031476.db2.gz HGAGORBOGTVJFO-IUCAKERBSA-N 1 0 295.736 3.284 10 0 CGAERO Cn1ncc(Cl)c1C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000130419697 371032274 /nfs/dbraw/zinc/03/22/74/371032274.db2.gz HGAGORBOGTVJFO-DTWKUNHWSA-N 1 0 295.736 3.284 10 0 CGAERO COCc1ccc([C@@H]2CCCN2CCC[NH+]2CCCC2)o1 ZINC000130894818 371067004 /nfs/dbraw/zinc/06/70/04/371067004.db2.gz HOFVZZRVMRSXRI-INIZCTEOSA-N 1 0 292.423 3.049 10 0 CGAERO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCS[C@H](C)C2)cc1 ZINC000131306111 371096841 /nfs/dbraw/zinc/09/68/41/371096841.db2.gz RHQLCCUGRGPPDX-CYBMUJFWSA-N 1 0 287.432 3.322 10 0 CGAERO CCc1nc2c(s1)[C@H]([NH2+][C@H]1CCCN(CC)C1)CCC2 ZINC000133033766 371221628 /nfs/dbraw/zinc/22/16/28/371221628.db2.gz MTTUOGCQIJFBNC-QWHCGFSZSA-N 1 0 293.480 3.157 10 0 CGAERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000134242551 371315046 /nfs/dbraw/zinc/31/50/46/371315046.db2.gz JOUVUKRMKYCAIG-UFBFGSQYSA-N 1 0 277.261 3.112 10 0 CGAERO CCCOc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H]2C)cc1 ZINC000135310841 371414099 /nfs/dbraw/zinc/41/40/99/371414099.db2.gz AIPYFKGJACYMNR-ZENOOKHLSA-N 1 0 263.381 3.303 10 0 CGAERO Cc1csc(C2CCN(Cc3nccs3)CC2)n1 ZINC000135020498 371384040 /nfs/dbraw/zinc/38/40/40/371384040.db2.gz XCDMPTXRLOAADF-UHFFFAOYSA-N 1 0 279.434 3.288 10 0 CGAERO C[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1ccc(Cl)cc1 ZINC000037165091 541862287 /nfs/dbraw/zinc/86/22/87/541862287.db2.gz IAJPIQAZNDALOF-BPNCWPANSA-N 1 0 253.773 3.294 10 0 CGAERO O[C@H]1CCC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)C1 ZINC000037165030 541862851 /nfs/dbraw/zinc/86/28/51/541862851.db2.gz VGTNOQRHLDKSBC-STQMWFEESA-N 1 0 273.298 3.099 10 0 CGAERO Cc1cccc([C@H](C)[NH2+]CC(=O)N2CCCCCC2)c1 ZINC000157338034 372015458 /nfs/dbraw/zinc/01/54/58/372015458.db2.gz KFHIXXHHNWNNPO-HNNXBMFYSA-N 1 0 274.408 3.048 10 0 CGAERO C[N@@H+]1CCc2c(NC(=O)OC(C)(C)C)csc2C1 ZINC000157211131 372011773 /nfs/dbraw/zinc/01/17/73/372011773.db2.gz RCZPIOLZYORTDK-UHFFFAOYSA-N 1 0 268.382 3.083 10 0 CGAERO CCCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(C)c1 ZINC000157284307 372013500 /nfs/dbraw/zinc/01/35/00/372013500.db2.gz ZCQGKUXISANBIX-CABCVRRESA-N 1 0 276.424 3.341 10 0 CGAERO CC[C@H](CCO)[NH2+][C@H]1CCCOc2c(C)cc(C)cc21 ZINC000159192632 372115177 /nfs/dbraw/zinc/11/51/77/372115177.db2.gz CYWHADDIZQTJAP-ZBFHGGJFSA-N 1 0 277.408 3.268 10 0 CGAERO C[C@@H]([NH2+]Cc1ccc(-c2cc[nH]n2)cc1)c1ccccn1 ZINC000040768477 541870328 /nfs/dbraw/zinc/87/03/28/541870328.db2.gz YCUKNIHDBMSPLT-CYBMUJFWSA-N 1 0 278.359 3.323 10 0 CGAERO CCC[C@H](C(=O)Nc1ccc(OC(C)C)cc1)[NH+](C)C ZINC000161626374 372342148 /nfs/dbraw/zinc/34/21/48/372342148.db2.gz GZHQUFZXUWVFHG-OAHLLOKOSA-N 1 0 278.396 3.143 10 0 CGAERO CC[C@H]([NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21)C(C)C ZINC000049127505 541875072 /nfs/dbraw/zinc/87/50/72/541875072.db2.gz ZIYKOAHTFFBPBS-KBPBESRZSA-N 1 0 299.411 3.068 10 0 CGAERO COc1ccc(C)cc1[C@H](C)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000162411755 372392926 /nfs/dbraw/zinc/39/29/26/372392926.db2.gz UEDRMDXEHFJTED-ZOBUZTSGSA-N 1 0 290.451 3.383 10 0 CGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1(N(C)C)CCOCC1 ZINC000168359793 372610647 /nfs/dbraw/zinc/61/06/47/372610647.db2.gz GGYWQQADNGIXAK-IXDOHACOSA-N 1 0 296.499 3.148 10 0 CGAERO CCn1c(C)nnc1C[NH+]1CCC2(CCCCC2)CC1 ZINC000171040519 372704529 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MPMHYNRASBEADJ-YUTCNCBUSA-N 1 0 290.436 3.483 10 0 CGAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CC[C@@H](C)[S@](C)=O ZINC000090517744 165235815 /nfs/dbraw/zinc/23/58/15/165235815.db2.gz BJJXARWUROBLRK-VFCJXBEMSA-N 1 0 273.486 3.194 10 0 CGAERO Cc1ccc(C(=O)NC2CC[NH+](CC(C)(C)C)CC2)s1 ZINC000092674171 165305678 /nfs/dbraw/zinc/30/56/78/165305678.db2.gz QYGJMHUPRBEKPW-UHFFFAOYSA-N 1 0 294.464 3.297 10 0 CGAERO O=C(C[C@H]1CCC[N@@H+]1Cc1cc[nH]c1)c1ccccc1 ZINC000093667959 165334758 /nfs/dbraw/zinc/33/47/58/165334758.db2.gz MPJZSNLYLXZNCJ-MRXNPFEDSA-N 1 0 268.360 3.252 10 0 CGAERO CCc1ccsc1-c1nc(C2([NH3+])CCCCC2)no1 ZINC000094532589 165351979 /nfs/dbraw/zinc/35/19/79/165351979.db2.gz NROOTIWVDLUURC-UHFFFAOYSA-N 1 0 277.393 3.479 10 0 CGAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000094827139 165392515 /nfs/dbraw/zinc/39/25/15/165392515.db2.gz HVOLCOPHODHYFN-NHYWBVRUSA-N 1 0 268.351 3.100 10 0 CGAERO C[C@H](CCC[NH3+])Nc1ncc(C(F)(F)F)cc1Cl ZINC000094948091 165394233 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ZINC000252875137 165806922 /nfs/dbraw/zinc/80/69/22/165806922.db2.gz QHINIWQZWFAVAK-TUKIKUTGSA-N 1 0 281.371 3.179 10 0 CGAERO CCCC[C@H](CC)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000121968644 287205091 /nfs/dbraw/zinc/20/50/91/287205091.db2.gz GXBKJGOEZDYZFS-DZGCQCFKSA-N 1 0 268.445 3.227 10 0 CGAERO CC(C)(C)[NH+]1CCC2(COC(c3ccccc3)=N2)CC1 ZINC000005284010 170082960 /nfs/dbraw/zinc/08/29/60/170082960.db2.gz UYDMUEITQLEUOB-UHFFFAOYSA-N 1 0 272.392 3.097 10 0 CGAERO COc1ccc(CC[C@H]([NH3+])c2ccc3c(c2)OCCO3)cc1 ZINC000005526991 170108389 /nfs/dbraw/zinc/10/83/89/170108389.db2.gz JPSCHJVAFJEQCX-INIZCTEOSA-N 1 0 299.370 3.099 10 0 CGAERO CC[C@@H]1CC[C@H]([NH3+])[C@@H](Oc2ccc(C)cc2OC)C1 ZINC000019266776 170765370 /nfs/dbraw/zinc/76/53/70/170765370.db2.gz OABKNCXIYMLJTE-IPYPFGDCSA-N 1 0 263.381 3.288 10 0 CGAERO CCCC[N@H+](CC)CCCC(=O)Nc1cc(N)ccc1F ZINC000019407204 170787695 /nfs/dbraw/zinc/78/76/95/170787695.db2.gz LWKGUBGHXUNBMQ-UHFFFAOYSA-N 1 0 295.402 3.249 10 0 CGAERO CCOc1ccc(O[C@H](C[NH3+])c2ccccc2)cc1 ZINC000019670807 170835639 /nfs/dbraw/zinc/83/56/39/170835639.db2.gz NSVFCLNPGJBARZ-MRXNPFEDSA-N 1 0 257.333 3.164 10 0 CGAERO COc1ccc([C@@H]([NH3+])CCc2ccccc2)c(OC)c1 ZINC000019967728 170949342 /nfs/dbraw/zinc/94/93/42/170949342.db2.gz YZCMYZITAJUDHC-INIZCTEOSA-N 1 0 271.360 3.336 10 0 CGAERO C[C@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1ccncc1 ZINC000020121107 171000187 /nfs/dbraw/zinc/00/01/87/171000187.db2.gz QMRBCMRYNWNGRN-AWEZNQCLSA-N 1 0 278.359 3.118 10 0 CGAERO C[C@@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1cccc(O)c1 ZINC000020129392 171016879 /nfs/dbraw/zinc/01/68/79/171016879.db2.gz FELQOOCCCKMUIG-RDTXWAMCSA-N 1 0 284.403 3.346 10 0 CGAERO COC(=O)c1ccc(C[NH2+][C@H]2CCc3ccccc32)cc1 ZINC000020129831 171018731 /nfs/dbraw/zinc/01/87/31/171018731.db2.gz KNLLJZSICPCWRK-KRWDZBQOSA-N 1 0 281.355 3.250 10 0 CGAERO CC(C)[C@@H](CNCc1ccccc1Br)[NH+](C)C ZINC000020145879 171031963 /nfs/dbraw/zinc/03/19/63/171031963.db2.gz IVRKLKYSHCUWDK-CQSZACIVSA-N 1 0 299.256 3.125 10 0 CGAERO C=COCCC[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000020197645 171062094 /nfs/dbraw/zinc/06/20/94/171062094.db2.gz YEYBECIVFLHKJI-NSHDSACASA-N 1 0 253.317 3.035 10 0 CGAERO Cc1ccc(CN(C)[C@H](C[NH3+])c2cccs2)cc1 ZINC000020225313 171087144 /nfs/dbraw/zinc/08/71/44/171087144.db2.gz LWDFGECLTJZVDE-CQSZACIVSA-N 1 0 260.406 3.188 10 0 CGAERO CC(C)Oc1ccc([C@@H](C[NH3+])N(C)CC(C)(C)C)cc1 ZINC000020226588 171090825 /nfs/dbraw/zinc/09/08/25/171090825.db2.gz MZHVBQWHXSIPRR-MRXNPFEDSA-N 1 0 278.440 3.452 10 0 CGAERO CN(CC1CC1)[C@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000020226701 171091894 /nfs/dbraw/zinc/09/18/94/171091894.db2.gz AOSCAKNHGUDOSB-CYBMUJFWSA-N 1 0 273.207 3.335 10 0 CGAERO Cc1ccc(O[C@@H]2CCc3ccccc3[C@@H]2[NH3+])cc1 ZINC000020262727 171120771 /nfs/dbraw/zinc/12/07/71/171120771.db2.gz RARVJSLUFPDKCW-SJORKVTESA-N 1 0 253.345 3.389 10 0 CGAERO [NH3+][C@H]1CCCCC[C@@H]1Oc1cccc2cccnc21 ZINC000020296858 171136913 /nfs/dbraw/zinc/13/69/13/171136913.db2.gz UBFWXBOMFYRAOE-KBPBESRZSA-N 1 0 256.349 3.274 10 0 CGAERO C[N@@H+]1CCCC[C@@H]1COc1ccc(C(F)(F)F)cc1N ZINC000020352068 171156124 /nfs/dbraw/zinc/15/61/24/171156124.db2.gz ZJIRPXMSKWQJBZ-LLVKDONJSA-N 1 0 288.313 3.151 10 0 CGAERO C[C@H]([NH3+])c1cccc(O[C@@H](C)C(=O)Nc2ccccc2)c1 ZINC000020419803 171184968 /nfs/dbraw/zinc/18/49/68/171184968.db2.gz UGRYLGKDFQJBLT-STQMWFEESA-N 1 0 284.359 3.112 10 0 CGAERO Cc1cc(N[C@H]2C[NH+]3CCC2CC3)ccc1Br ZINC000020440603 171204061 /nfs/dbraw/zinc/20/40/61/171204061.db2.gz YEZSMUKFMCPCEA-AWEZNQCLSA-N 1 0 295.224 3.264 10 0 CGAERO Clc1cccc(N[C@@H]2C[NH+]3CCC2CC3)c1Cl ZINC000020442042 171204649 /nfs/dbraw/zinc/20/46/49/171204649.db2.gz ZXFLDMORIYUOAG-GFCCVEGCSA-N 1 0 271.191 3.500 10 0 CGAERO [NH3+][C@H](c1ccc(F)c(F)c1)c1cncc(Br)c1 ZINC000020480905 171221653 /nfs/dbraw/zinc/22/16/53/171221653.db2.gz MFDBGGJIJWGKRC-GFCCVEGCSA-N 1 0 299.118 3.170 10 0 CGAERO C[C@H](c1ccccc1C(F)(F)F)N1CCC([NH3+])CC1 ZINC000020521609 171234997 /nfs/dbraw/zinc/23/49/97/171234997.db2.gz JPVYUUOCTKKAGB-SNVBAGLBSA-N 1 0 272.314 3.190 10 0 CGAERO CCC(CC)[C@H](C[NH2+][C@@H](C)CC(C)(C)OC)N(C)C ZINC000020524770 171237740 /nfs/dbraw/zinc/23/77/40/171237740.db2.gz SQPLABWNOCWNPB-ZFWWWQNUSA-N 1 0 272.477 3.146 10 0 CGAERO Cc1cc(Cl)cc(C)c1OCCC[NH2+]C1CC1 ZINC000020525394 171238090 /nfs/dbraw/zinc/23/80/90/171238090.db2.gz SWIDBJILFKFLPZ-UHFFFAOYSA-N 1 0 253.773 3.478 10 0 CGAERO CCC[NH2+]CCCOc1ccccc1C(F)(F)F ZINC000020525320 171238214 /nfs/dbraw/zinc/23/82/14/171238214.db2.gz MTRNAVBWQRWRDX-UHFFFAOYSA-N 1 0 261.287 3.474 10 0 CGAERO [NH3+]Cc1ccc(C(=O)Nc2ccc(F)cc2Cl)cc1 ZINC000020595456 171264093 /nfs/dbraw/zinc/26/40/93/171264093.db2.gz SFGXRBFZMLSIEU-UHFFFAOYSA-N 1 0 278.714 3.190 10 0 CGAERO [NH3+]C1(C(=O)Nc2ccc(F)cc2Cl)CCCCC1 ZINC000020595409 171264165 /nfs/dbraw/zinc/26/41/65/171264165.db2.gz ZBKMRHGJYDIUBW-UHFFFAOYSA-N 1 0 270.735 3.079 10 0 CGAERO CCCOc1ccccc1C[NH2+]CCCOC(C)C ZINC000020924642 171279680 /nfs/dbraw/zinc/27/96/80/171279680.db2.gz CAXFUKJNRGRNPK-UHFFFAOYSA-N 1 0 265.397 3.380 10 0 CGAERO COCCC[NH2+]Cc1cc(Cl)c(OC)c(Cl)c1 ZINC000020928631 171280557 /nfs/dbraw/zinc/28/05/57/171280557.db2.gz QWSRDKKXEGFODB-UHFFFAOYSA-N 1 0 278.179 3.128 10 0 CGAERO CCn1cc(C[NH2+]C[C@H]2CCCN2CC)c2ccccc21 ZINC000020968484 171282585 /nfs/dbraw/zinc/28/25/85/171282585.db2.gz DIBPVOVYBMAHRM-MRXNPFEDSA-N 1 0 285.435 3.235 10 0 CGAERO CC(=O)NCC[NH2+]C1CCCCCCCCCCC1 ZINC000021008597 171285473 /nfs/dbraw/zinc/28/54/73/171285473.db2.gz LHKJRIOUDGGMFT-UHFFFAOYSA-N 1 0 268.445 3.385 10 0 CGAERO C[C@@H]1CC(C)(C)C[C@@](CN)([NH+]2CCCCCC2)C1 ZINC000021517734 171314058 /nfs/dbraw/zinc/31/40/58/171314058.db2.gz IAHWNDIHHORADU-ZBFHGGJFSA-N 1 0 252.446 3.406 10 0 CGAERO CC(C)[C@@H]([C@H](N)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000021808012 171328366 /nfs/dbraw/zinc/32/83/66/171328366.db2.gz OHQXKGZSAWRRHV-SJORKVTESA-N 1 0 260.425 3.443 10 0 CGAERO CC(C)[C@@H]([C@@H](N)c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000021816674 171332539 /nfs/dbraw/zinc/33/25/39/171332539.db2.gz AIUBBTLQHFCRBR-PVAVHDDUSA-N 1 0 260.425 3.443 10 0 CGAERO Nc1ccc(NC(=O)CC[NH+]2CCCCCC2)c(Cl)c1 ZINC000022154564 171361071 /nfs/dbraw/zinc/36/10/71/171361071.db2.gz HFGIFDZGHFMRTA-UHFFFAOYSA-N 1 0 295.814 3.127 10 0 CGAERO CN(c1ccccc1)[C@@H](C[NH3+])c1ccccc1Cl ZINC000022163938 171365425 /nfs/dbraw/zinc/36/54/25/171365425.db2.gz FUMZEZCQIKNXKP-HNNXBMFYSA-N 1 0 260.768 3.476 10 0 CGAERO [NH3+]Cc1cccnc1Oc1cccc2ccccc21 ZINC000022167138 171366325 /nfs/dbraw/zinc/36/63/25/171366325.db2.gz WVJOVWBWPGNBOA-UHFFFAOYSA-N 1 0 250.301 3.486 10 0 CGAERO C[C@@H]([NH3+])c1ccc(NC(=O)Cc2ccccc2F)cc1 ZINC000022169068 171367379 /nfs/dbraw/zinc/36/73/79/171367379.db2.gz IIDZMCYRGMEUJA-LLVKDONJSA-N 1 0 272.323 3.027 10 0 CGAERO CC[N@H+](CC(=O)Nc1ccc(F)cc1N)C1CCCCC1 ZINC000022170343 171367889 /nfs/dbraw/zinc/36/78/89/171367889.db2.gz HNNTZOWNMNHMBY-UHFFFAOYSA-N 1 0 293.386 3.001 10 0 CGAERO C[N@H+]([C@@H](CN)c1ccc(F)cc1)C1CCCCC1 ZINC000022175483 171370389 /nfs/dbraw/zinc/37/03/89/171370389.db2.gz IADMEDIGHABCMJ-HNNXBMFYSA-N 1 0 250.361 3.090 10 0 CGAERO Cc1ccc(C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)cc1F ZINC000022214713 171374807 /nfs/dbraw/zinc/37/48/07/171374807.db2.gz VKLDPYCOWBCTKO-LLVKDONJSA-N 1 0 272.323 3.406 10 0 CGAERO Cc1cc(C(=O)Nc2cccc([C@@H](C)[NH3+])c2)c(C)o1 ZINC000022223363 171379113 /nfs/dbraw/zinc/37/91/13/171379113.db2.gz HDAZCXJLEZCCBO-SNVBAGLBSA-N 1 0 258.321 3.168 10 0 CGAERO CC1CC[NH+]([C@H]2CCCc3ccccc3[C@H]2N)CC1 ZINC000022563034 171391045 /nfs/dbraw/zinc/39/10/45/171391045.db2.gz AHIAYAOJPJFILD-DLBZAZTESA-N 1 0 258.409 3.123 10 0 CGAERO C[C@H](Oc1ccc(F)cc1F)[C@H]([NH3+])c1ccccc1 ZINC000022564466 171392048 /nfs/dbraw/zinc/39/20/48/171392048.db2.gz OWYMACMJEXBHHO-BONVTDFDSA-N 1 0 263.287 3.432 10 0 CGAERO [NH3+][C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1N1CCCCC1 ZINC000023067338 171408035 /nfs/dbraw/zinc/40/80/35/171408035.db2.gz XUZIDAXVHJMULS-ZACQAIPSSA-N 1 0 258.409 3.136 10 0 CGAERO COc1cccc(OC)c1OC[C@H]([NH3+])c1ccc(C)cc1 ZINC000023067129 171408088 /nfs/dbraw/zinc/40/80/88/171408088.db2.gz BHUPDRNLJWDTLW-AWEZNQCLSA-N 1 0 287.359 3.091 10 0 CGAERO N[C@H](C[NH+]1CCCC1)c1ccc(-c2ccccc2)cc1 ZINC000023071320 171410720 /nfs/dbraw/zinc/41/07/20/171410720.db2.gz IPQZVNPELCWSHR-GOSISDBHSA-N 1 0 266.388 3.449 10 0 CGAERO CC[NH2+]C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000034219725 171835122 /nfs/dbraw/zinc/83/51/22/171835122.db2.gz AAILTMLYHUHSIL-UHFFFAOYSA-N 1 0 266.388 3.070 10 0 CGAERO CCN(CC)[C@@H](C[NH2+]C[C@H]1CCCCO1)c1ccccc1 ZINC000035151277 172014227 /nfs/dbraw/zinc/01/42/27/172014227.db2.gz SGUJDJXNKQATIV-MSOLQXFVSA-N 1 0 290.451 3.228 10 0 CGAERO O=C(C[NH2+][C@@H]1CCc2ccccc21)Nc1cccc(F)c1 ZINC000035180558 172034208 /nfs/dbraw/zinc/03/42/08/172034208.db2.gz AQBANSZBUBYGHE-MRXNPFEDSA-N 1 0 284.334 3.041 10 0 CGAERO FC(F)(F)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccncc1 ZINC000035258118 172089381 /nfs/dbraw/zinc/08/93/81/172089381.db2.gz DFXGRPIYAOYIPV-VXGBXAGGSA-N 1 0 258.287 3.292 10 0 CGAERO FC(F)(F)CO[C@@H]1CCC[C@H]([NH2+]C2CCCC2)C1 ZINC000035273383 172093605 /nfs/dbraw/zinc/09/36/05/172093605.db2.gz AUMSFOFWNWJTCZ-NWDGAFQWSA-N 1 0 265.319 3.409 10 0 CGAERO CSCCC[NH2+][C@@H]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000035273303 172093647 /nfs/dbraw/zinc/09/36/47/172093647.db2.gz SZAJPOKEVMIFCJ-GHMZBOCLSA-N 1 0 285.375 3.219 10 0 CGAERO C[C@@H](Cn1ccnc1)[NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000035275420 172095728 /nfs/dbraw/zinc/09/57/28/172095728.db2.gz IYQBQOGECHHNQA-JONQDZQNSA-N 1 0 261.413 3.220 10 0 CGAERO CCC[NH2+][C@H](C)c1ccccc1SCCOC ZINC000035322031 172125101 /nfs/dbraw/zinc/12/51/01/172125101.db2.gz ZZSASWUKZAVLPL-GFCCVEGCSA-N 1 0 253.411 3.486 10 0 CGAERO [NH3+][C@H](c1ccc(Br)o1)c1ccccc1 ZINC000035379511 172162033 /nfs/dbraw/zinc/16/20/33/172162033.db2.gz DSGWQBQQFGBTEP-NSHDSACASA-N 1 0 252.111 3.090 10 0 CGAERO COc1ccc([C@H]([NH3+])c2cc(C)cc(C)c2)cc1F ZINC000035424204 172192716 /nfs/dbraw/zinc/19/27/16/172192716.db2.gz CTPZCQUKMSSDBB-INIZCTEOSA-N 1 0 259.324 3.499 10 0 CGAERO C[NH2+][C@H](c1ccc(F)cc1)c1cc(F)cc(F)c1 ZINC000035463758 172211737 /nfs/dbraw/zinc/21/17/37/172211737.db2.gz ZXTGOQVRYCBPIG-CQSZACIVSA-N 1 0 251.251 3.413 10 0 CGAERO C[NH2+][C@H](CCC(C)C)c1ccc(OC)cc1OC ZINC000035488825 172224067 /nfs/dbraw/zinc/22/40/67/172224067.db2.gz NEMVWYCNQNNGSX-CQSZACIVSA-N 1 0 251.370 3.401 10 0 CGAERO CC[C@@H]([NH2+]C)c1cc(OC)c(OC)cc1Br ZINC000035496600 172229604 /nfs/dbraw/zinc/22/96/04/172229604.db2.gz BIOALTJKZTWPJK-SNVBAGLBSA-N 1 0 288.185 3.137 10 0 CGAERO CCC[NH2+][C@H](c1ccc(F)cc1F)[C@@H]1CCCO1 ZINC000035582010 172279515 /nfs/dbraw/zinc/27/95/15/172279515.db2.gz WASGTRAYFREEAW-UONOGXRCSA-N 1 0 255.308 3.185 10 0 CGAERO CCC[C@H](C)NC(=O)[C@H](C)Oc1ccc(C)cc1[C@@H](C)[NH3+] ZINC000035629285 172309189 /nfs/dbraw/zinc/30/91/89/172309189.db2.gz DICIPHYTAULZPS-MJBXVCDLSA-N 1 0 292.423 3.087 10 0 CGAERO CC[NH2+][C@@H](C)c1cc(C)ccc1OCCOCC ZINC000035629656 172310168 /nfs/dbraw/zinc/31/01/68/172310168.db2.gz UOADVSLZIVQVAU-ZDUSSCGKSA-N 1 0 251.370 3.081 10 0 CGAERO CN(Cc1ccco1)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000035701403 172368928 /nfs/dbraw/zinc/36/89/28/172368928.db2.gz WKKMDRLKUYODEV-AWEZNQCLSA-N 1 0 264.756 3.065 10 0 CGAERO C[C@@H]1CCC[C@@](C[NH3+])(N(C)Cc2ccsc2)C1 ZINC000035719090 172373591 /nfs/dbraw/zinc/37/35/91/172373591.db2.gz QSWALIJOQCYCQK-TZMCWYRMSA-N 1 0 252.427 3.088 10 0 CGAERO [NH3+]Cc1ccc(Sc2ccc(Br)cc2)nc1 ZINC000035719899 172374886 /nfs/dbraw/zinc/37/48/86/172374886.db2.gz MKRUJFWTXFKANK-UHFFFAOYSA-N 1 0 295.205 3.454 10 0 CGAERO CCC[N@@H+]1CCC[C@@H]([C@@H](C)N[C@@H](C)c2ccco2)C1 ZINC000035738485 172391687 /nfs/dbraw/zinc/39/16/87/172391687.db2.gz UHQCGUATTQEVTF-QLFBSQMISA-N 1 0 264.413 3.441 10 0 CGAERO Cc1ccc(C[N@@H+](C[C@H](O)COC(C)(C)C)C(C)C)s1 ZINC000036101214 172440525 /nfs/dbraw/zinc/44/05/25/172440525.db2.gz JISMKPLLDNPAPW-AWEZNQCLSA-N 1 0 299.480 3.443 10 0 CGAERO C[C@@H]([NH2+]CC1CC(O)C1)c1cc2ccccc2s1 ZINC000126610160 287268903 /nfs/dbraw/zinc/26/89/03/287268903.db2.gz QBONHGUPPYFCJB-XSRFYTQQSA-N 1 0 261.390 3.323 10 0 CGAERO CCC(CC)[N@H+](C)CCCOc1cccc(N)c1 ZINC000036788414 172706032 /nfs/dbraw/zinc/70/60/32/172706032.db2.gz OBXFEMLCVYKOLC-UHFFFAOYSA-N 1 0 250.386 3.158 10 0 CGAERO CC[C@@H](C)N(CC)[C@@H](C[NH3+])c1c(F)cccc1F ZINC000037112585 172964618 /nfs/dbraw/zinc/96/46/18/172964618.db2.gz ZEHZGJFMTFVRRF-MFKMUULPSA-N 1 0 256.340 3.085 10 0 CGAERO O[C@H]1CCC[C@@H]([NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000037166142 173000050 /nfs/dbraw/zinc/00/00/50/173000050.db2.gz SUHPRNLTXXURIZ-HHTDUIENSA-N 1 0 279.811 3.479 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+]CCCc1ccccc1 ZINC000037166561 173000413 /nfs/dbraw/zinc/00/04/13/173000413.db2.gz RJOAXDZWLLRGQN-QGZVFWFLSA-N 1 0 262.441 3.185 10 0 CGAERO CCC(CC)[NH2+][C@@H](c1cccs1)c1nccn1C ZINC000037186949 173017229 /nfs/dbraw/zinc/01/72/29/173017229.db2.gz JWEDPRQPZFYEPF-ZDUSSCGKSA-N 1 0 263.410 3.349 10 0 CGAERO C[C@@H](Nc1ccc(F)cc1F)[C@@H]1CCC[N@H+](C)C1 ZINC000037210115 173031814 /nfs/dbraw/zinc/03/18/14/173031814.db2.gz YNIHKNGDFBFFNC-GHMZBOCLSA-N 1 0 254.324 3.107 10 0 CGAERO CCCN(CCC)[C@H](C[NH3+])c1cc(F)ccc1F ZINC000037233525 173052651 /nfs/dbraw/zinc/05/26/51/173052651.db2.gz XUBQGYHYOXTKMM-CQSZACIVSA-N 1 0 256.340 3.087 10 0 CGAERO C[C@@H]([NH2+]Cc1ccc(CSC(F)F)o1)[C@H]1CCCO1 ZINC000037242395 173058448 /nfs/dbraw/zinc/05/84/48/173058448.db2.gz DWLAYBNDEBJEBY-BXKDBHETSA-N 1 0 291.363 3.393 10 0 CGAERO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000037303473 173108566 /nfs/dbraw/zinc/10/85/66/173108566.db2.gz RLLZMDDTCMAXKA-IIAWOOMASA-N 1 0 261.365 3.057 10 0 CGAERO CC(C)(C)n1cc(C[NH2+][C@H]2CCOc3ccccc32)cn1 ZINC000037303486 173108842 /nfs/dbraw/zinc/10/88/42/173108842.db2.gz HFGHVWHGDGGRMP-HNNXBMFYSA-N 1 0 285.391 3.252 10 0 CGAERO [NH3+][C@@H](c1cnn(-c2ccccc2)c1)c1ccc(F)cc1 ZINC000037308968 173111671 /nfs/dbraw/zinc/11/16/71/173111671.db2.gz YDXDJPBVYLCUHD-MRXNPFEDSA-N 1 0 267.307 3.060 10 0 CGAERO CC(C)CCOc1ccc(C(F)(F)F)cc1C(N)=[NH2+] ZINC000037334697 173135493 /nfs/dbraw/zinc/13/54/93/173135493.db2.gz USBZCMNGOGNFDG-UHFFFAOYSA-N 1 0 274.286 3.414 10 0 CGAERO CC[N@@H+](CC(=O)c1ccc(C)cc1OC)CC(C)C ZINC000037336309 173137122 /nfs/dbraw/zinc/13/71/22/173137122.db2.gz PWQIGTAIFZYNFY-UHFFFAOYSA-N 1 0 263.381 3.164 10 0 CGAERO [NH3+][C@@H](Cc1ccccc1)c1ccc2c(c1)CCCC(=O)N2 ZINC000037371307 173161116 /nfs/dbraw/zinc/16/11/16/173161116.db2.gz UQRHMDWVEBJHOR-INIZCTEOSA-N 1 0 280.371 3.204 10 0 CGAERO O=C(C[NH2+]Cc1cccs1)Nc1ccccc1Cl ZINC000037466986 173226573 /nfs/dbraw/zinc/22/65/73/173226573.db2.gz LQNXEKCMUUBFHM-UHFFFAOYSA-N 1 0 280.780 3.130 10 0 CGAERO CC[NH2+][C@H](Cc1ccccc1Cl)C[C@H]1CCCO1 ZINC000037535232 173254414 /nfs/dbraw/zinc/25/44/14/173254414.db2.gz TZVQEQINKZBTFW-ZIAGYGMSSA-N 1 0 267.800 3.430 10 0 CGAERO CC[NH2+][C@@H](Cc1ccccc1Cl)c1cnccn1 ZINC000037536058 173254972 /nfs/dbraw/zinc/25/49/72/173254972.db2.gz SGYPKSQDLGGJEY-ZDUSSCGKSA-N 1 0 261.756 3.023 10 0 CGAERO C[C@@H]([NH3+])Cc1cc(Cl)ccc1OCc1ccncc1 ZINC000037725667 173643873 /nfs/dbraw/zinc/64/38/73/173643873.db2.gz GQHIIQVBRRKARV-LLVKDONJSA-N 1 0 276.767 3.204 10 0 CGAERO Cc1ccc([C@@H](C)N(C)C(=O)CC[NH2+]C(C)(C)C)s1 ZINC000037822054 173775845 /nfs/dbraw/zinc/77/58/45/173775845.db2.gz XNYITSZVMSMGDK-GFCCVEGCSA-N 1 0 282.453 3.354 10 0 CGAERO NC(=O)C1([NH2+]C2CCCCCC2)CCCCCCC1 ZINC000037970645 173920821 /nfs/dbraw/zinc/92/08/21/173920821.db2.gz ISCKARCQHIXXBA-UHFFFAOYSA-N 1 0 266.429 3.267 10 0 CGAERO C[C@H]([NH2+]Cc1cccc(NC(=O)C(F)(F)F)c1)C1CC1 ZINC000038003592 173965384 /nfs/dbraw/zinc/96/53/84/173965384.db2.gz UJDYGUIUGREQOM-VIFPVBQESA-N 1 0 286.297 3.076 10 0 CGAERO Cc1cccc(OCC[N@@H+]2CCc3c(N)cccc3C2)c1 ZINC000038032818 174029701 /nfs/dbraw/zinc/02/97/01/174029701.db2.gz GSYMHCMYDVKCRL-UHFFFAOYSA-N 1 0 282.387 3.014 10 0 CGAERO Nc1cccc2c1CC[N@H+](CCCOc1ccccc1)C2 ZINC000038032798 174029894 /nfs/dbraw/zinc/02/98/94/174029894.db2.gz VWZGULLAPYWRGT-UHFFFAOYSA-N 1 0 282.387 3.096 10 0 CGAERO [NH3+]Cc1cc(C(F)(F)F)ccc1-n1cc(Cl)cn1 ZINC000038053204 174064710 /nfs/dbraw/zinc/06/47/10/174064710.db2.gz VEKXPPWGGSWHAH-UHFFFAOYSA-N 1 0 275.661 3.003 10 0 CGAERO CC[NH2+][C@@H](C)c1ccc(-n2cc(Cl)cn2)c(F)c1 ZINC000038053638 174065409 /nfs/dbraw/zinc/06/54/09/174065409.db2.gz NGCFNBYKFIVODI-VIFPVBQESA-N 1 0 267.735 3.335 10 0 CGAERO C[NH2+][C@H](c1ccccc1)c1ccc2c(c1)CCCO2 ZINC000038057985 174067982 /nfs/dbraw/zinc/06/79/82/174067982.db2.gz PHKCWBOFKVIAJK-QGZVFWFLSA-N 1 0 253.345 3.320 10 0 CGAERO CC[C@H](C)[NH2+][C@@](C)(C(N)=O)c1ccc(Cl)cc1Cl ZINC000038065495 174076099 /nfs/dbraw/zinc/07/60/99/174076099.db2.gz WVPLQPHMQUQSEA-ISVAXAHUSA-N 1 0 289.206 3.082 10 0 CGAERO Clc1ccc(-c2c[nH]c(CC3CC[NH2+]CC3)n2)cc1 ZINC000038076108 174086323 /nfs/dbraw/zinc/08/63/23/174086323.db2.gz ZFXWTGCCTHYLJA-UHFFFAOYSA-N 1 0 275.783 3.272 10 0 CGAERO COc1cc(C)ccc1[C@H](C)[NH2+]CC[C@@H]1CCCO1 ZINC000038096378 174110075 /nfs/dbraw/zinc/11/00/75/174110075.db2.gz NCZBIDSSVZQHFK-KBPBESRZSA-N 1 0 263.381 3.223 10 0 CGAERO Cc1cccc(C2CC([NH2+]CC[C@@H]3CCCO3)C2)c1 ZINC000038096135 174110177 /nfs/dbraw/zinc/11/01/77/174110177.db2.gz TYJPOGRBZLJIHY-JCYILVPMSA-N 1 0 259.393 3.400 10 0 CGAERO C[NH2+][C@H](CCC(C)C)Cc1ccc(OC)c(OC)c1 ZINC000038131442 174131392 /nfs/dbraw/zinc/13/13/92/174131392.db2.gz OJOVNTAROMRXEY-CQSZACIVSA-N 1 0 265.397 3.271 10 0 CGAERO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]Cc2ccccc2)C1 ZINC000039084547 174163011 /nfs/dbraw/zinc/16/30/11/174163011.db2.gz CXWNMGSEHPYEOT-OAHLLOKOSA-N 1 0 290.407 3.033 10 0 CGAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000040177372 174202473 /nfs/dbraw/zinc/20/24/73/174202473.db2.gz BHWCAZBYLNJIEA-QRTUWBSPSA-N 1 0 280.456 3.094 10 0 CGAERO C[NH+](C)CCCn1cnc2cc(C(F)(F)F)ccc21 ZINC000040403974 174253871 /nfs/dbraw/zinc/25/38/71/174253871.db2.gz UKWYSYYJBAEMKO-UHFFFAOYSA-N 1 0 271.286 3.007 10 0 CGAERO Cc1ccc(Nc2ncnc(Nc3cc[nH+]cc3)c2N)cc1 ZINC000040687598 174375863 /nfs/dbraw/zinc/37/58/63/174375863.db2.gz OWLVCMGBMZNPJU-UHFFFAOYSA-N 1 0 292.346 3.249 10 0 CGAERO CC(C)(C)c1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2O)s1 ZINC000127604848 287291917 /nfs/dbraw/zinc/29/19/17/287291917.db2.gz MBYOCCIJXOKXKQ-AAEUAGOBSA-N 1 0 267.438 3.296 10 0 CGAERO COc1ccc2ccccc2c1-c1nc(C[NH3+])cs1 ZINC000040999753 174448113 /nfs/dbraw/zinc/44/81/13/174448113.db2.gz AEDIZBJQVJHMIK-UHFFFAOYSA-N 1 0 270.357 3.431 10 0 CGAERO [NH3+]CCCc1csc(-c2ccccc2Cl)n1 ZINC000041322797 174519587 /nfs/dbraw/zinc/51/95/87/174519587.db2.gz LXCMHHPWFBKUKH-UHFFFAOYSA-N 1 0 252.770 3.355 10 0 CGAERO C[NH2+]CC[C@H](CC(C)C)c1ccc2c(c1)OCCO2 ZINC000041357099 174535034 /nfs/dbraw/zinc/53/50/34/174535034.db2.gz GGASFMNHWKBPNK-CQSZACIVSA-N 1 0 263.381 3.197 10 0 CGAERO CC(C)[C@@H](CN(C)C)[NH2+][C@@H](c1cccs1)C1CC1 ZINC000042331720 174687385 /nfs/dbraw/zinc/68/73/85/174687385.db2.gz DNDWJGGYJHTIDX-UKRRQHHQSA-N 1 0 266.454 3.375 10 0 CGAERO C[C@H]1c2ccsc2CCN1[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000042779503 174876190 /nfs/dbraw/zinc/87/61/90/174876190.db2.gz AZYDEQQQCTZIKO-FPMFFAJLSA-N 1 0 264.438 3.327 10 0 CGAERO Cc1cc(C)n([C@H](c2ccc(Cl)cc2)[C@@H](C)[NH3+])n1 ZINC000042947373 174921999 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CCC(C)(C)[NH2+]C[C@H](C)Sc1nc(C)cc(C)n1 ZINC000053623962 521351379 /nfs/dbraw/zinc/35/13/79/521351379.db2.gz AFPBNEDAFCQGDK-LBPRGKRZSA-N 1 0 267.442 3.352 10 0 CGAERO Cc1oc2nc(C[N@@H+]3C[C@@H](C)CC[C@@H]3C)nc(N)c2c1C ZINC000154083845 534558572 /nfs/dbraw/zinc/55/85/72/534558572.db2.gz VHSPKJIJQDDQHE-UWVGGRQHSA-N 1 0 288.395 3.042 10 0 CGAERO CCCc1ccc(O[C@@H]([C@H](C)[NH3+])C(F)(F)F)cc1 ZINC000053332375 521404659 /nfs/dbraw/zinc/40/46/59/521404659.db2.gz XNEPOYZRAPQHLM-CABZTGNLSA-N 1 0 261.287 3.296 10 0 CGAERO CCOc1cccc([C@H]([NH3+])c2cc(F)ccc2F)c1 ZINC000055243101 521422146 /nfs/dbraw/zinc/42/21/46/521422146.db2.gz DHBNVKMZBRXAEX-HNNXBMFYSA-N 1 0 263.287 3.412 10 0 CGAERO C[NH2+]CC1(OCc2cccc(OC)c2)CCCCC1 ZINC000050486802 521971201 /nfs/dbraw/zinc/97/12/01/521971201.db2.gz RITLHNJHBWJURG-UHFFFAOYSA-N 1 0 263.381 3.134 10 0 CGAERO CC(C)(C)C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000124206534 534605054 /nfs/dbraw/zinc/60/50/54/534605054.db2.gz CQBOLKYQCAMPCA-AWEZNQCLSA-N 1 0 290.455 3.230 10 0 CGAERO C[NH2+]C[C@@H](c1ccccc1)N(CC(F)(F)F)C(C)C ZINC000052502917 522037551 /nfs/dbraw/zinc/03/75/51/522037551.db2.gz MNGJDUZUCKNHMU-ZDUSSCGKSA-N 1 0 274.330 3.220 10 0 CGAERO C[NH2+]C[C@@H](Oc1cccc2ccc(C)nc21)C(C)C ZINC000052697790 522038403 /nfs/dbraw/zinc/03/84/03/522038403.db2.gz AMZBDFVYGISADT-OAHLLOKOSA-N 1 0 258.365 3.166 10 0 CGAERO C[NH2+]C[C@@H]1C[C@@]1(C)c1ccc2cc(OC)ccc2c1 ZINC000054589934 522061298 /nfs/dbraw/zinc/06/12/98/522061298.db2.gz IVVLMCQGRIPHON-RDJZCZTQSA-N 1 0 255.361 3.345 10 0 CGAERO C[NH2+]Cc1c(C)nn(Cc2c(F)cccc2Cl)c1C ZINC000049346137 522099401 /nfs/dbraw/zinc/09/94/01/522099401.db2.gz HMWRWKIZEOZVJH-UHFFFAOYSA-N 1 0 281.762 3.060 10 0 CGAERO C[NH2+]Cc1ccc(COc2ccc(F)c(F)c2)cc1 ZINC000052700678 522117783 /nfs/dbraw/zinc/11/77/83/522117783.db2.gz DKEMIJQXSCLUTJ-UHFFFAOYSA-N 1 0 263.287 3.263 10 0 CGAERO CCc1nc(N2CCC[C@@H](CC)C2)sc1C[NH2+]C ZINC000054997591 522385168 /nfs/dbraw/zinc/38/51/68/522385168.db2.gz PUMCDPUXHDWXQT-LLVKDONJSA-N 1 0 267.442 3.051 10 0 CGAERO C[NH2+][C@H](C)c1cnc(N(C)c2ccccc2OC)s1 ZINC000054907670 522454011 /nfs/dbraw/zinc/45/40/11/522454011.db2.gz CZHTWBPLSXUZDR-SNVBAGLBSA-N 1 0 277.393 3.200 10 0 CGAERO COc1cc(Cl)c(C)cc1N1CC(C)(C)[NH2+]C[C@@H]1C ZINC000058466216 522508459 /nfs/dbraw/zinc/50/84/59/522508459.db2.gz NEAPYMDCZPQAFV-NSHDSACASA-N 1 0 282.815 3.234 10 0 CGAERO CC[C@@H](C[NH2+]CC(C)C)N(C)Cc1cccc(F)c1 ZINC000052425244 522547106 /nfs/dbraw/zinc/54/71/06/522547106.db2.gz ROSDQRPIHBKYRD-INIZCTEOSA-N 1 0 266.404 3.282 10 0 CGAERO Clc1ccccc1C[N@@H+]1CCC[C@H]1Cn1ccnc1 ZINC000177100601 534649888 /nfs/dbraw/zinc/64/98/88/534649888.db2.gz NPRSRVOUSLBISH-AWEZNQCLSA-N 1 0 275.783 3.201 10 0 CGAERO CC[C@@H]([NH3+])Cc1ccnc(-c2ccc(F)c(Cl)c2)n1 ZINC000062793509 522645432 /nfs/dbraw/zinc/64/54/32/522645432.db2.gz QVSCLSUKNVYYDE-SNVBAGLBSA-N 1 0 279.746 3.216 10 0 CGAERO CC[C@@H]([NH3+])[C@H](Oc1cccc(F)c1F)C(C)(C)C ZINC000062612385 522651461 /nfs/dbraw/zinc/65/14/61/522651461.db2.gz VIHKCUKOBQOCLR-MFKMUULPSA-N 1 0 257.324 3.496 10 0 CGAERO CC[C@@H]([NH3+])[C@H](Sc1nnc(C)o1)c1ccc(C)cc1 ZINC000051037766 522653636 /nfs/dbraw/zinc/65/36/36/522653636.db2.gz VUSSBTSIMWCSOT-CHWSQXEVSA-N 1 0 277.393 3.257 10 0 CGAERO CC[C@H]([NH2+][C@@H]1CN(C(C)C)C[C@@H]1C)c1ccc(OC)cc1 ZINC000157728829 522722785 /nfs/dbraw/zinc/72/27/85/522722785.db2.gz RBTJBNGCYBMVEG-JCGIZDLHSA-N 1 0 290.451 3.465 10 0 CGAERO COC(=O)C[C@H]([NH2+]CC1CCCC1)c1cccs1 ZINC000050271761 523338210 /nfs/dbraw/zinc/33/82/10/523338210.db2.gz DZVCYAFTHRVJMQ-LBPRGKRZSA-N 1 0 267.394 3.132 10 0 CGAERO CN(Cc1cccs1)c1cc(Cl)ccc1C(N)=[NH2+] ZINC000062788803 523450215 /nfs/dbraw/zinc/45/02/15/523450215.db2.gz OAMSILUIAWCUKN-UHFFFAOYSA-N 1 0 279.796 3.322 10 0 CGAERO C[NH+]1CCC(c2nc3ccc(-c4ccccc4)cn3n2)CC1 ZINC000063528516 523784141 /nfs/dbraw/zinc/78/41/41/523784141.db2.gz BEPCDYJQOSZTKH-UHFFFAOYSA-N 1 0 292.386 3.206 10 0 CGAERO CCc1cc(NC)c2cc3c(cc2[nH+]1)OCCCO3 ZINC000050868584 523819873 /nfs/dbraw/zinc/81/98/73/523819873.db2.gz HJEWIPSMBXABNI-UHFFFAOYSA-N 1 0 258.321 3.000 10 0 CGAERO COCC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000054598637 523941350 /nfs/dbraw/zinc/94/13/50/523941350.db2.gz IIHXOVYOLAMUAB-JQWIXIFHSA-N 1 0 273.298 3.045 10 0 CGAERO COCC[NH2+]Cc1cccc(OCc2ccsc2)c1 ZINC000062731705 523954706 /nfs/dbraw/zinc/95/47/06/523954706.db2.gz SEDOSNQXNRYDAC-UHFFFAOYSA-N 1 0 277.389 3.063 10 0 CGAERO CCc1ccc([C@@H](C)[NH2+]CCn2c(C)csc2=O)cc1 ZINC000102686574 524024832 /nfs/dbraw/zinc/02/48/32/524024832.db2.gz SVWLZMOBVTUJMJ-CYBMUJFWSA-N 1 0 290.432 3.131 10 0 CGAERO C[C@H](CC[NH+](C)C)NCc1c(Cl)cccc1Cl ZINC000049553438 524164825 /nfs/dbraw/zinc/16/48/25/524164825.db2.gz ATNVSRKGYWSSNM-SNVBAGLBSA-N 1 0 275.223 3.423 10 0 CGAERO COc1cccc([C@H]2CC[NH2+][C@H]2CC(C)C)c1OC ZINC000054929106 524179063 /nfs/dbraw/zinc/17/90/63/524179063.db2.gz BDVSHYWABBUHQK-OCCSQVGLSA-N 1 0 263.381 3.195 10 0 CGAERO Cc1cc(C)c(C[NH3+])c(Oc2cc(F)cc(F)c2)n1 ZINC000054931926 524260784 /nfs/dbraw/zinc/26/07/84/524260784.db2.gz XCNBPOVJHSLKHL-UHFFFAOYSA-N 1 0 264.275 3.228 10 0 CGAERO Cc1cccc(Cn2ccnc2C[NH2+]C(C)(C)C)c1 ZINC000051015606 524494659 /nfs/dbraw/zinc/49/46/59/524494659.db2.gz KAMRPSKCRAYEBD-UHFFFAOYSA-N 1 0 257.381 3.128 10 0 CGAERO C[C@@H](C[NH+]1CCCC1)NCc1ccc(F)cc1Cl ZINC000049180266 524592899 /nfs/dbraw/zinc/59/28/99/524592899.db2.gz PLYPBWRFZRFKRB-NSHDSACASA-N 1 0 270.779 3.053 10 0 CGAERO COc1ccccc1[C@](C)([NH3+])c1ccc(F)c(F)c1 ZINC000055237059 524818899 /nfs/dbraw/zinc/81/88/99/524818899.db2.gz WKFIVERSZLTAFI-OAHLLOKOSA-N 1 0 263.287 3.196 10 0 CGAERO C[C@H]([NH3+])c1cnn(Cc2ccc(C(C)(C)C)cc2)c1 ZINC000054716843 524869230 /nfs/dbraw/zinc/86/92/30/524869230.db2.gz WYBOEKTWOXSXQX-LBPRGKRZSA-N 1 0 257.381 3.249 10 0 CGAERO C[C@@H]([NH3+])Cc1ccc(-c2cccc3cccnc32)o1 ZINC000062770227 524999474 /nfs/dbraw/zinc/99/94/74/524999474.db2.gz ICXPOIIHASLZOJ-LLVKDONJSA-N 1 0 252.317 3.385 10 0 CGAERO C[C@](C[NH3+])(C1CC1)N1CCC2(CCCCC2)CC1 ZINC000061818801 525137991 /nfs/dbraw/zinc/13/79/91/525137991.db2.gz PDTHTYSJUUPXHY-HNNXBMFYSA-N 1 0 250.430 3.160 10 0 CGAERO C[C@]([NH3+])(c1ccc(Cl)cc1)c1cncc(F)c1 ZINC000049575999 525149586 /nfs/dbraw/zinc/14/95/86/525149586.db2.gz RZKNETXAZWFJMO-ZDUSSCGKSA-N 1 0 250.704 3.096 10 0 CGAERO C[C@@H]([NH2+]CCN(C)C1CC1)c1cccc(Cl)c1 ZINC000061992663 525446335 /nfs/dbraw/zinc/44/63/35/525446335.db2.gz ZBIVMSVMMJMNRX-LLVKDONJSA-N 1 0 252.789 3.085 10 0 CGAERO C[C@@H]1[C@@H](C)CCC[N@@H+]1CCCOc1ccccc1N ZINC000050563159 525638719 /nfs/dbraw/zinc/63/87/19/525638719.db2.gz SRBLOMAIQQFPKD-UONOGXRCSA-N 1 0 262.397 3.158 10 0 CGAERO C[C@@H]([NH2+][C@H]1CCCCC[C@@H]1O)c1ccc(F)cc1 ZINC000049505611 525675734 /nfs/dbraw/zinc/67/57/34/525675734.db2.gz VUNVCYXUSCPOIE-UGFHNGPFSA-N 1 0 251.345 3.170 10 0 CGAERO C[C@@]([NH3+])(c1cccc(Cl)c1)c1cncc(F)c1 ZINC000049576000 525752313 /nfs/dbraw/zinc/75/23/13/525752313.db2.gz KKJOXXWFFBFVCH-CYBMUJFWSA-N 1 0 250.704 3.096 10 0 CGAERO Cc1ccc([C@@H](C[NH2+]C2CC2)OCC(F)(F)F)cc1 ZINC000050502038 525763385 /nfs/dbraw/zinc/76/33/85/525763385.db2.gz NHPCEQAAQRGTOI-CYBMUJFWSA-N 1 0 273.298 3.367 10 0 CGAERO COc1cccc(C[C@@H](C[NH3+])Cc2ccsc2)c1 ZINC000052948154 526073278 /nfs/dbraw/zinc/07/32/78/526073278.db2.gz KPKKUCLRFCUPPZ-CQSZACIVSA-N 1 0 261.390 3.117 10 0 CGAERO COc1cccc(C[C@H]([NH3+])c2ccc(F)cc2C)c1 ZINC000055225357 526077976 /nfs/dbraw/zinc/07/79/76/526077976.db2.gz QNPVILVIHXCHMS-INIZCTEOSA-N 1 0 259.324 3.385 10 0 CGAERO CSc1cccc(NCCC[NH+]2CCCC2)c1 ZINC000049332207 526138491 /nfs/dbraw/zinc/13/84/91/526138491.db2.gz MYPGUNHFSYMOEE-UHFFFAOYSA-N 1 0 250.411 3.306 10 0 CGAERO Fc1ccc(NCCC[NH+]2CCCC2)c(F)c1F ZINC000049332254 526353883 /nfs/dbraw/zinc/35/38/83/526353883.db2.gz WHCUHXGRDCPPQJ-UHFFFAOYSA-N 1 0 258.287 3.002 10 0 CGAERO Cc1csc([C@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000156960169 526444171 /nfs/dbraw/zinc/44/41/71/526444171.db2.gz MKBKUDZQUMPNHS-AWEZNQCLSA-N 1 0 273.405 3.226 10 0 CGAERO c1ccc(C[N@@H+]2CCCN[C@H](c3ccccc3)C2)cc1 ZINC000062662904 526467617 /nfs/dbraw/zinc/46/76/17/526467617.db2.gz AQAHHBHCOUSOQA-SFHVURJKSA-N 1 0 266.388 3.223 10 0 CGAERO O=C(CC[C@H]1CCCC[NH2+]1)Nc1cccc(Cl)c1F ZINC000050941072 526565257 /nfs/dbraw/zinc/56/52/57/526565257.db2.gz MJLAUQLOGLTIBB-SNVBAGLBSA-N 1 0 284.762 3.340 10 0 CGAERO Clc1cccc2nc(C[C@@H]3CCC[NH2+]C3)sc21 ZINC000054301106 526984418 /nfs/dbraw/zinc/98/44/18/526984418.db2.gz NCCJAAQDZRJNGQ-VIFPVBQESA-N 1 0 266.797 3.492 10 0 CGAERO Cc1nc(N[C@@H](C)CCCC[NH3+])ccc1Br ZINC000309435441 526999811 /nfs/dbraw/zinc/99/98/11/526999811.db2.gz KGUJSLKRXVZADO-VIFPVBQESA-N 1 0 286.217 3.082 10 0 CGAERO NC(=S)CCCC[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000049582715 527107593 /nfs/dbraw/zinc/10/75/93/527107593.db2.gz RYUBQBDIVDHBFN-CHWSQXEVSA-N 1 0 254.443 3.097 10 0 CGAERO [NH3+]Cc1cnc(Oc2cccc(F)c2F)c(Cl)c1 ZINC000062654172 527263858 /nfs/dbraw/zinc/26/38/58/527263858.db2.gz ZDYXULXCDOCTPS-UHFFFAOYSA-N 1 0 270.666 3.264 10 0 CGAERO [NH3+][C@@H](Cc1cc(F)cc(F)c1)c1cccc(F)c1 ZINC000049348899 527334584 /nfs/dbraw/zinc/33/45/84/527334584.db2.gz ACWQYZTZBNCTEQ-AWEZNQCLSA-N 1 0 251.251 3.346 10 0 CGAERO [NH3+][C@@H]1CCCC[C@H]1c1ccccc1Br ZINC000062625261 527344544 /nfs/dbraw/zinc/34/45/44/527344544.db2.gz OHDSMFSLLPRGKH-CMPLNLGQSA-N 1 0 254.171 3.434 10 0 CGAERO Cc1ncsc1CCOc1cc(Cl)ccc1C(N)=[NH2+] ZINC000062789103 527492624 /nfs/dbraw/zinc/49/26/24/527492624.db2.gz MXIMEOZXBHIKBF-UHFFFAOYSA-N 1 0 295.795 3.010 10 0 CGAERO CC1(C[NH2+][C@@H]2c3ccccc3CCC2(C)C)COC1 ZINC000156759874 527988193 /nfs/dbraw/zinc/98/81/93/527988193.db2.gz PESQZWRZRNILPQ-OAHLLOKOSA-N 1 0 259.393 3.326 10 0 CGAERO CC(C)c1nnc2n1C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)C1)CC2 ZINC000179546149 528482169 /nfs/dbraw/zinc/48/21/69/528482169.db2.gz PYXPZQDBDFKBRW-RBSFLKMASA-N 1 0 290.455 3.132 10 0 CGAERO CCCC[C@H](C[NH3+])NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000150236947 528951504 /nfs/dbraw/zinc/95/15/04/528951504.db2.gz SGCFFYAVUJZFQR-OAHLLOKOSA-N 1 0 276.424 3.231 10 0 CGAERO CCC(O)(CC)C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000165199275 528965499 /nfs/dbraw/zinc/96/54/99/528965499.db2.gz UABQCZADJRJJME-UHFFFAOYSA-N 1 0 296.842 3.013 10 0 CGAERO CCC(CC)CNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000105093990 535024719 /nfs/dbraw/zinc/02/47/19/535024719.db2.gz YHRFTNSPNWKRBI-INIZCTEOSA-N 1 0 291.439 3.025 10 0 CGAERO CC[C@H](CC(=O)N1CCC(C[NH+]2CCCC2)CC1)C(C)C ZINC000105320103 536060953 /nfs/dbraw/zinc/06/09/53/536060953.db2.gz IOVPIXPVUBSOAL-QGZVFWFLSA-N 1 0 294.483 3.393 10 0 CGAERO CC[C@@H](O)C[C@H]1C=CC[C@@H](CC(=O)c2ccccc2)[N@@H+]1C ZINC000004098585 560195888 /nfs/dbraw/zinc/19/58/88/560195888.db2.gz SEUNPTJHBYYPOX-IXDOHACOSA-N 1 0 287.403 3.049 10 0 in-vitro CGAERO CC(C)[C@@H]1[NH2+][C@]2(CCCSC2)OCC12CCC2 ZINC000757147667 617806940 /nfs/dbraw/zinc/80/69/40/617806940.db2.gz SOIFGNLAUVFXFI-GXTWGEPZSA-N 1 0 255.427 3.024 10 0 CGAERO CCc1ccc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2CC)s1 ZINC000246859602 617623265 /nfs/dbraw/zinc/62/32/65/617623265.db2.gz DBKROFOIAVWUSB-CHWSQXEVSA-N 1 0 292.448 3.009 10 0 CGAERO C[C@H](c1nc([C@@H]2CC2(C)C)no1)[C@H]([NH3+])c1ccccc1 ZINC000300417019 617788842 /nfs/dbraw/zinc/78/88/42/617788842.db2.gz GYNGRKGPGZSRRS-DRZSPHRISA-N 1 0 271.364 3.387 10 0 CGAERO C[C@H](CSC(C)(C)C)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000160544678 618091151 /nfs/dbraw/zinc/09/11/51/618091151.db2.gz XIYOCKZASDJGHG-AGIUHOORSA-N 1 0 259.459 3.047 10 0 CGAERO Cc1csc([C@@H]2CCC[N@H+](C/C=C\Cl)C2)n1 ZINC000255275933 618147844 /nfs/dbraw/zinc/14/78/44/618147844.db2.gz FMJMCJGCTXZTEO-USEMIUTHSA-N 1 0 256.802 3.383 10 0 CGAERO CC/C=C(/C)c1c(-c2ccccc2)ncn1CC[NH3+] ZINC000096775187 618191141 /nfs/dbraw/zinc/19/11/41/618191141.db2.gz RYYSVULFJLSESG-QPEQYQDCSA-N 1 0 255.365 3.322 10 0 CGAERO CCn1ccnc1CSCC[NH+](C(C)C)C(C)C ZINC000161007279 618223742 /nfs/dbraw/zinc/22/37/42/618223742.db2.gz PIWHRLYURSKQSF-UHFFFAOYSA-N 1 0 269.458 3.255 10 0 CGAERO Clc1cccc(C2CC([NH2+]Cc3cnc[nH]3)C2)c1 ZINC000088750509 618306299 /nfs/dbraw/zinc/30/62/99/618306299.db2.gz VPSHBXISLHIAAQ-UHFFFAOYSA-N 1 0 261.756 3.099 10 0 CGAERO CCC[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC000309961469 619046591 /nfs/dbraw/zinc/04/65/91/619046591.db2.gz ZFMOPXKYCINSFL-VXGBXAGGSA-N 1 0 258.406 3.020 10 0 CGAERO C[C@H](C[NH2+]CCc1ccccc1)N(C)C(=O)OC(C)(C)C ZINC000309933844 619061465 /nfs/dbraw/zinc/06/14/65/619061465.db2.gz AFGCNBWTMHFOPZ-CQSZACIVSA-N 1 0 292.423 3.074 10 0 CGAERO CC(C)c1ccc([C@@H](C)NC(=O)[C@H]([NH3+])CC2CC2)cc1 ZINC000312868895 619153967 /nfs/dbraw/zinc/15/39/67/619153967.db2.gz ZOMKTJRXMSEIKT-MLGOLLRUSA-N 1 0 274.408 3.115 10 0 CGAERO C(C[C@@H]1CCCO1)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000094368942 619249457 /nfs/dbraw/zinc/24/94/57/619249457.db2.gz PEBQUNDEAMXOPK-CABCVRRESA-N 1 0 267.413 3.027 10 0 CGAERO CN[C@H](C)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 ZINC000054053352 619252861 /nfs/dbraw/zinc/25/28/61/619252861.db2.gz VTLZOSIXMNASPJ-SSDOTTSWSA-N 1 0 286.162 3.248 10 0 CGAERO C[C@H](NC(=O)[C@H]1CCCC[C@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000157063688 622862082 /nfs/dbraw/zinc/86/20/82/622862082.db2.gz UHNDGBSGSXKVFV-WHOFXGATSA-N 1 0 294.826 3.282 10 0 CGAERO CC(C)C1CC([NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000232562492 623402054 /nfs/dbraw/zinc/40/20/54/623402054.db2.gz KPGKMAZVLNNBFL-IYXRBSQSSA-N 1 0 284.444 3.314 10 0 CGAERO [NH3+]C[C@@H]1CCCC[C@@H]1c1nc([C@@H]2CCC(F)(F)C2)no1 ZINC000312157656 623486072 /nfs/dbraw/zinc/48/60/72/623486072.db2.gz UXJWVCHOXFBFOK-VWYCJHECSA-N 1 0 285.338 3.205 10 0 CGAERO [NH3+][C@H](CCc1nc(CC2CCC2)no1)c1ccccc1 ZINC000312306163 623506662 /nfs/dbraw/zinc/50/66/62/623506662.db2.gz UDPMTMJAJMYRIN-CQSZACIVSA-N 1 0 271.364 3.045 10 0 CGAERO CCOC(=O)[C@@]1(C/C=C\c2ccccc2)CCC[NH2+]C1 ZINC000096797997 623678789 /nfs/dbraw/zinc/67/87/89/623678789.db2.gz HZXZEMMLQNMELL-IVEQORNPSA-N 1 0 273.376 3.023 10 0 CGAERO [NH3+]C[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1Cl ZINC000089386494 623737720 /nfs/dbraw/zinc/73/77/20/623737720.db2.gz XYVSQGQZOWLRNO-QWRGUYRKSA-N 1 0 266.772 3.044 10 0 CGAERO Cc1cc(C)cc(NC(=O)[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089386586 623738406 /nfs/dbraw/zinc/73/84/06/623738406.db2.gz KYRGBVOXQJMDIX-DZGCQCFKSA-N 1 0 260.381 3.007 10 0 CGAERO C[C@@H]([NH2+]CC(=O)N(C)C1CC1)c1ccc(C(C)(C)C)cc1 ZINC000154382013 624264741 /nfs/dbraw/zinc/26/47/41/624264741.db2.gz BDIFIFULBCSVFN-CYBMUJFWSA-N 1 0 288.435 3.256 10 0 CGAERO CCCCC[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000083799109 625710855 /nfs/dbraw/zinc/71/08/55/625710855.db2.gz BXUALBOLEJGUFE-CQSZACIVSA-N 1 0 284.444 3.413 10 0 CGAERO CCCCCC[C@@H](C)CC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170868592 624694646 /nfs/dbraw/zinc/69/46/46/624694646.db2.gz WTKDMWIWYWPURI-HUUCEWRRSA-N 1 0 268.445 3.146 10 0 CGAERO Cc1cc(Cl)cc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1O ZINC000180262484 624732509 /nfs/dbraw/zinc/73/25/09/624732509.db2.gz DFHKNYTUESHWPU-SWLSCSKDSA-N 1 0 294.826 3.023 10 0 CGAERO CN(C)C1(C[NH2+]CCc2ccccc2)CCCCC1 ZINC000019992275 634465954 /nfs/dbraw/zinc/46/59/54/634465954.db2.gz WSHNDWGBGWCLMM-UHFFFAOYSA-N 1 0 260.425 3.083 10 0 CGAERO c1ccc2c(c1)OC[C@H]2[NH2+]C[C@H]1CCOc2ccccc21 ZINC000130757041 636506932 /nfs/dbraw/zinc/50/69/32/636506932.db2.gz HTGZIUHIUXXQDE-CZUORRHYSA-N 1 0 281.355 3.276 10 0 CGAERO CC(C)[C@H]([NH3+])Cc1nc(C2(c3ccccc3)CCC2)no1 ZINC000109514118 637141419 /nfs/dbraw/zinc/14/14/19/637141419.db2.gz UGQALKHRHXSUFS-CQSZACIVSA-N 1 0 285.391 3.065 10 0 CGAERO C[C@@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)s1 ZINC000218888973 637473375 /nfs/dbraw/zinc/47/33/75/637473375.db2.gz QEAMGTXUCLENNJ-OPRDCNLKSA-N 1 0 286.828 3.096 10 0 CGAERO Cc1ccsc1C[NH2+]C(C)(C)CNC(=O)OC(C)(C)C ZINC000221049379 637718181 /nfs/dbraw/zinc/71/81/81/637718181.db2.gz ASXUMOCDOHVKEJ-UHFFFAOYSA-N 1 0 298.452 3.449 10 0 CGAERO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079517068 640409012 /nfs/dbraw/zinc/40/90/12/640409012.db2.gz FDOOKWSTUZBDSG-XHDPSFHLSA-N 1 0 280.799 3.002 10 0 CGAERO O[C@@H](C[NH2+][C@@H]1CC=CCC1)c1ccc(C(F)(F)F)cc1 ZINC000088748123 640622468 /nfs/dbraw/zinc/62/24/68/640622468.db2.gz FTCQWTJUWDORQV-KGLIPLIRSA-N 1 0 285.309 3.437 10 0 CGAERO [NH3+]C[C@@H]1CCCC[C@H]1c1nc(-c2cc(F)cc(F)c2)no1 ZINC000089383523 640643237 /nfs/dbraw/zinc/64/32/37/640643237.db2.gz ZXGCPFOXDHARGY-TVQRCGJNSA-N 1 0 293.317 3.247 10 0 CGAERO CN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089390850 640644326 /nfs/dbraw/zinc/64/43/26/640644326.db2.gz HSMUWYMXSHERAM-DZGCQCFKSA-N 1 0 294.826 3.064 10 0 CGAERO Cc1ccc(NC(=O)[C@H]2CCCC[C@H]2C[NH3+])cc1C ZINC000089386851 640644559 /nfs/dbraw/zinc/64/45/59/640644559.db2.gz SYDJCQQVKLJCEL-ZFWWWQNUSA-N 1 0 260.381 3.007 10 0 CGAERO CN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089391117 640644662 /nfs/dbraw/zinc/64/46/62/640644662.db2.gz YFQKUFPHJJVYGS-DZGCQCFKSA-N 1 0 294.826 3.064 10 0 CGAERO CC(C)CCCCCCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089459683 640646542 /nfs/dbraw/zinc/64/65/42/640646542.db2.gz JSGJMGQZURDLRG-HUUCEWRRSA-N 1 0 268.445 3.084 10 0 CGAERO Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)OC(C)(C)C)o1 ZINC000093757407 640781646 /nfs/dbraw/zinc/78/16/46/640781646.db2.gz GOHKUHKNLQIMGV-CYBMUJFWSA-N 1 0 294.395 3.077 10 0 CGAERO CCCCC[C@H](C(=O)N[C@@H]1CCC[NH2+][C@H]1C)C(C)C ZINC000248904840 640786890 /nfs/dbraw/zinc/78/68/90/640786890.db2.gz ZZWXIZKBOBMKPQ-SOUVJXGZSA-N 1 0 268.445 3.096 10 0 CGAERO O[C@@H]1CCC[C@@H]([NH2+][C@H]2CCSc3c(F)cccc32)C1 ZINC000252424953 640844109 /nfs/dbraw/zinc/84/41/09/640844109.db2.gz KKIUSSQLCVFTOW-GYSYKLTISA-N 1 0 281.396 3.256 10 0 CGAERO [NH3+][C@H]1CC[C@H](c2nc(Cc3ccc(F)cc3Cl)no2)C1 ZINC000097068295 640854671 /nfs/dbraw/zinc/85/46/71/640854671.db2.gz QHHZFBKZSLJEIA-ONGXEEELSA-N 1 0 295.745 3.048 10 0 CGAERO CC(C)c1nc(COc2ccccc2)sc1C[NH3+] ZINC000082429877 178007123 /nfs/dbraw/zinc/00/71/23/178007123.db2.gz XEPMPZLCAPEEPR-UHFFFAOYSA-N 1 0 262.378 3.304 10 0 CGAERO COc1ccccc1-c1nc(C2CC2)c(C[NH3+])s1 ZINC000082436634 178013860 /nfs/dbraw/zinc/01/38/60/178013860.db2.gz FYTKJHRSIZNPKS-UHFFFAOYSA-N 1 0 260.362 3.155 10 0 CGAERO CC(C)(C)c1nc(-c2cnccn2)sc1C[NH2+]C1CC1 ZINC000082441136 178021169 /nfs/dbraw/zinc/02/11/69/178021169.db2.gz ITOJYTOXUHAASC-UHFFFAOYSA-N 1 0 288.420 3.150 10 0 CGAERO CCOc1ccccc1-c1nc(COC)c(C[NH2+]C)s1 ZINC000082446364 178024083 /nfs/dbraw/zinc/02/40/83/178024083.db2.gz SOCFCQJANXSAIU-UHFFFAOYSA-N 1 0 292.404 3.075 10 0 CGAERO CC[C@](C)([NH3+])c1cc(Br)ccc1OC ZINC000082567773 178098379 /nfs/dbraw/zinc/09/83/79/178098379.db2.gz VKEREMYHDHUSAS-NSHDSACASA-N 1 0 258.159 3.042 10 0 CGAERO Cc1c([C@H](C)[NH3+])cnn1-c1ccc(C(F)(F)F)cc1 ZINC000082661284 178148778 /nfs/dbraw/zinc/14/87/78/178148778.db2.gz DVMCJHYVHJBIPM-QMMMGPOBSA-N 1 0 269.270 3.219 10 0 CGAERO C[NH2+]Cc1cnn(-c2cc(C)cc(C)c2)c1C(F)(F)F ZINC000082661865 178149267 /nfs/dbraw/zinc/14/92/67/178149267.db2.gz LFTSZNKCTGSGQD-UHFFFAOYSA-N 1 0 283.297 3.227 10 0 CGAERO [NH3+]Cc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000082662032 178149800 /nfs/dbraw/zinc/14/98/00/178149800.db2.gz FMHNWIUGGHRBJE-UHFFFAOYSA-N 1 0 275.661 3.003 10 0 CGAERO COC(=O)CCC[N@@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000124688124 187148706 /nfs/dbraw/zinc/14/87/06/187148706.db2.gz DGTUMEZMQYJCMW-CYBMUJFWSA-N 1 0 265.353 3.068 10 0 CGAERO [NH3+]C[C@H]1c2cc(F)c(F)c(F)c2CN1Cc1ccccc1 ZINC000082702407 178209706 /nfs/dbraw/zinc/20/97/06/178209706.db2.gz AGDZLRKIJORFLK-AWEZNQCLSA-N 1 0 292.304 3.120 10 0 CGAERO [NH3+][C@H]1CCCc2c1c(C(F)(F)F)nn2Cc1ccccc1 ZINC000082826355 178323486 /nfs/dbraw/zinc/32/34/86/178323486.db2.gz IDQKWKVTLKPBKK-NSHDSACASA-N 1 0 295.308 3.286 10 0 CGAERO O[C@@H](c1ccc(Cl)c2ccccc21)[C@H]1CCC[NH2+]1 ZINC000083140646 178341313 /nfs/dbraw/zinc/34/13/13/178341313.db2.gz IQMBUPSHXPLOKB-CABCVRRESA-N 1 0 261.752 3.279 10 0 CGAERO CC(C)[C@@H](C[NH3+])c1cc(Br)ccc1F ZINC000083256023 178371669 /nfs/dbraw/zinc/37/16/69/178371669.db2.gz RTSSSZJHFUAUIC-SNVBAGLBSA-N 1 0 260.150 3.287 10 0 CGAERO CC[NH2+][C@H](C(=O)c1ccc(SC)cc1)C(C)C ZINC000096890828 185124154 /nfs/dbraw/zinc/12/41/54/185124154.db2.gz IDMBCWJAXIBMAT-ZDUSSCGKSA-N 1 0 251.395 3.225 10 0 CGAERO O=C1CC[C@@H]2CCCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000096951680 185139775 /nfs/dbraw/zinc/13/97/75/185139775.db2.gz HUUFUPDJOPECFS-RDJZCZTQSA-N 1 0 257.377 3.410 10 0 CGAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000623402599 349799350 /nfs/dbraw/zinc/79/93/50/349799350.db2.gz QGBWTXJEKFRTRH-HZGVNTEJSA-N 1 0 276.124 3.225 10 0 CGAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1ccsc1C(F)(F)F ZINC000623432762 349807557 /nfs/dbraw/zinc/80/75/57/349807557.db2.gz IVKHCKPCZMPTQZ-WPRPVWTQSA-N 1 0 279.327 3.018 10 0 CGAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623428752 349806566 /nfs/dbraw/zinc/80/65/66/349806566.db2.gz YYOKTXJWDBMZDX-GHMZBOCLSA-N 1 0 293.354 3.408 10 0 CGAERO c1ccc(N(CC[NH+]2CCCC2)Cc2ccccn2)cc1 ZINC000002012462 344857126 /nfs/dbraw/zinc/85/71/26/344857126.db2.gz XBQZXYBFOLKMEB-UHFFFAOYSA-N 1 0 281.403 3.184 10 0 CGAERO c1c(CC[NH+]2CCCCC2)noc1-c1ccccc1 ZINC000002040088 344857402 /nfs/dbraw/zinc/85/74/02/344857402.db2.gz FMKRVPJPFOGYQU-UHFFFAOYSA-N 1 0 256.349 3.370 10 0 CGAERO COc1ccc([C@@](O)(c2ccccc2)[C@@H](C)C[NH+](C)C)cc1 ZINC000003642371 344859401 /nfs/dbraw/zinc/85/94/01/344859401.db2.gz SSIVYBUSZDMBEQ-KXBFYZLASA-N 1 0 299.414 3.129 10 0 CGAERO CS[C@H]1N=[N+](c2ccccc2)N(c2ccccc2)N1 ZINC000005746810 344862856 /nfs/dbraw/zinc/86/28/56/344862856.db2.gz DAZDTGLZNQTUPE-CQSZACIVSA-N 1 0 271.369 3.369 10 0 CGAERO Oc1ccc2c(c1)O[C@@H](C[NH2+]CC1CCCCC1)CC2 ZINC000013775960 344880656 /nfs/dbraw/zinc/88/06/56/344880656.db2.gz QBNAZFPOIWIARB-MRXNPFEDSA-N 1 0 275.392 3.256 10 0 CGAERO C[NH2+][C@H]1CN(C(c2ccccc2)c2ccccc2)[C@@H]1C ZINC000034148438 344937940 /nfs/dbraw/zinc/93/79/40/344937940.db2.gz OSJXNKNIKQPGFF-PBHICJAKSA-N 1 0 266.388 3.068 10 0 CGAERO C[NH2+]CCOc1cccc2c1Sc1ccccc1CC2=O ZINC000033901796 344937329 /nfs/dbraw/zinc/93/73/29/344937329.db2.gz DOOQDSXLFPNMND-UHFFFAOYSA-N 1 0 299.395 3.175 10 0 CGAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)Cc1ccc(C(C)(C)C)cc1 ZINC000037798252 344953245 /nfs/dbraw/zinc/95/32/45/344953245.db2.gz KTKRPNOHFMPRTQ-CZUORRHYSA-N 1 0 290.451 3.316 10 0 CGAERO CC(C)Cc1ccc([C@@H](C)[NH2+]Cc2cn[nH]c2)cc1 ZINC000038005858 344954309 /nfs/dbraw/zinc/95/43/09/344954309.db2.gz PAESDKABFJOIJC-CYBMUJFWSA-N 1 0 257.381 3.459 10 0 CGAERO COc1ccc2c(c1)C1(CC[NH2+]CC1)O[C@@H]2c1ccccc1 ZINC000039206756 344958870 /nfs/dbraw/zinc/95/88/70/344958870.db2.gz JDOMLWIHDNTBAF-GOSISDBHSA-N 1 0 295.382 3.394 10 0 CGAERO O=C(Nc1ccc2oc3ccccc3c2c1)[C@@H]1CCC[NH2+]1 ZINC000040429117 344962644 /nfs/dbraw/zinc/96/26/44/344962644.db2.gz OGOJQROAZYZFMQ-AWEZNQCLSA-N 1 0 280.327 3.277 10 0 CGAERO C[C@H]1N(C(c2ccccc2)c2ccccc2)C[C@]1(C)[NH3+] ZINC000034384390 344938873 /nfs/dbraw/zinc/93/88/73/344938873.db2.gz IDKIQYZYGXDZNL-KDOFPFPSSA-N 1 0 266.388 3.198 10 0 CGAERO COc1ccc(Cl)cc1-c1cccc2c1O[C@H](C[NH3+])C2 ZINC000034548931 344940379 /nfs/dbraw/zinc/94/03/79/344940379.db2.gz COJLAWVRHDODKA-LBPRGKRZSA-N 1 0 289.762 3.278 10 0 CGAERO C[NH2+][C@H](c1ccc(Br)cc1)[C@H]1C[C@H]1C ZINC000035462969 344941856 /nfs/dbraw/zinc/94/18/56/344941856.db2.gz CWVKRKGYBYGUPM-JFUSQASVSA-N 1 0 254.171 3.366 10 0 CGAERO CCCCC[C@H]([NH3+])c1ccc(OC)c(OC)c1OC ZINC000036200723 344943309 /nfs/dbraw/zinc/94/33/09/344943309.db2.gz LNVRYAYTYOIVSM-LBPRGKRZSA-N 1 0 267.369 3.293 10 0 CGAERO [NH3+][C@H]1CCOc2c(Cl)cc(Cl)c(Cl)c21 ZINC000036928598 344945864 /nfs/dbraw/zinc/94/58/64/344945864.db2.gz DUXQPODZCKEMRX-LURJTMIESA-N 1 0 252.528 3.429 10 0 CGAERO [NH3+][C@@H]1CCC[C@@H]1Cc1ccc(Br)s1 ZINC000042398070 344982990 /nfs/dbraw/zinc/98/29/90/344982990.db2.gz JESGMVJAPRLOEG-VXNVDRBHSA-N 1 0 260.200 3.181 10 0 CGAERO CCCN(C(=O)C[NH+]1CCCCC1)[C@@H](C)CC(C)C ZINC000048533562 345067372 /nfs/dbraw/zinc/06/73/72/345067372.db2.gz HGCYEUSBGSWKKA-HNNXBMFYSA-N 1 0 268.445 3.146 10 0 CGAERO C[NH2+][C@H](C)C(=O)Nc1ccc(C(C)C)cc1C(C)C ZINC000054073586 345128309 /nfs/dbraw/zinc/12/83/09/345128309.db2.gz YHWWRUSBJMWSHT-GFCCVEGCSA-N 1 0 262.397 3.480 10 0 CGAERO Cc1cc(C)c([C@@H](O)[C@H]([NH3+])Cc2ccccc2)c(C)c1 ZINC000054686043 345137779 /nfs/dbraw/zinc/13/77/79/345137779.db2.gz DEAGFAYVZMWIAT-AEFFLSMTSA-N 1 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10 0 CGAERO [NH3+][C@H]1CC[C@H](Cc2ccccc2Br)C1 ZINC000070741073 345393911 /nfs/dbraw/zinc/39/39/11/345393911.db2.gz UHFLZKBANXPNMX-KOLCDFICSA-N 1 0 254.171 3.119 10 0 CGAERO CC[C@H]1Cc2c(F)ccc(Br)c2C[NH2+]1 ZINC000070821247 345396754 /nfs/dbraw/zinc/39/67/54/345396754.db2.gz VVKUSPDOYNJQEW-ZETCQYMHSA-N 1 0 258.134 3.013 10 0 CGAERO CN(Cc1ccc(C(C)(C)C)cc1)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000079544912 345645535 /nfs/dbraw/zinc/64/55/35/345645535.db2.gz WQYBLRPHHYVAMY-SFHVURJKSA-N 1 0 288.435 3.085 10 0 CGAERO CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000153811196 232214798 /nfs/dbraw/zinc/21/47/98/232214798.db2.gz KHLDISKPPDWZEX-SQWLQELKSA-N 1 0 277.408 3.287 10 0 CGAERO C[C@@]1(Cc2ccc(Br)cc2)CCC[NH2+]1 ZINC000085698204 345747790 /nfs/dbraw/zinc/74/77/90/345747790.db2.gz JUQUAJQZFAFTAZ-LBPRGKRZSA-N 1 0 254.171 3.134 10 0 CGAERO C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000172052846 232270373 /nfs/dbraw/zinc/27/03/73/232270373.db2.gz VVKRTDFEZYCXJU-YPMHNXCESA-N 1 0 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c1ccc2c(c1)OC[C@@H]2[NH2+]CC1=Cc2ccccc2OC1 ZINC000105468180 138352514 /nfs/dbraw/zinc/35/25/14/138352514.db2.gz VNFBWLPNEGAMRI-INIZCTEOSA-N 1 0 279.339 3.186 10 0 CGAERO C[C@@H]1CCC[C@H]([N@H+](C)Cc2nc(-c3ccoc3)no2)C1 ZINC000105608027 138352764 /nfs/dbraw/zinc/35/27/64/138352764.db2.gz HWIYCXHUXPSJIP-YPMHNXCESA-N 1 0 275.352 3.340 10 0 CGAERO Cc1cnn(CC[NH2+][C@@H]2CCCOc3cc(C)c(C)cc32)c1 ZINC000124003063 138372344 /nfs/dbraw/zinc/37/23/44/138372344.db2.gz MEDCOVZJRMIGIX-QGZVFWFLSA-N 1 0 299.418 3.312 10 0 CGAERO CCc1ccc([C@@H]2CCCC[N@@H+]2CCCC(=O)OC)o1 ZINC000124863399 138378608 /nfs/dbraw/zinc/37/86/08/138378608.db2.gz LRBXWEHWTAYVSR-AWEZNQCLSA-N 1 0 279.380 3.322 10 0 CGAERO CC(C)(C)C[N@@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000128947408 138395474 /nfs/dbraw/zinc/39/54/74/138395474.db2.gz FVJZNDYGRKUPLJ-UHFFFAOYSA-N 1 0 292.398 3.020 10 0 CGAERO Cc1ccc(C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1Cl ZINC000127342810 138389223 /nfs/dbraw/zinc/38/92/23/138389223.db2.gz SQOHIRXAMPLWPA-HNNXBMFYSA-N 1 0 294.826 3.286 10 0 CGAERO Cn1cc([C@H]2CC[N@H+](Cc3coc4ccccc34)C2)cn1 ZINC000128397742 138393191 /nfs/dbraw/zinc/39/31/91/138393191.db2.gz FEYYBPGDWWDVJS-ZDUSSCGKSA-N 1 0 281.359 3.156 10 0 CGAERO C[C@@H](C(=O)Nc1ccccc1F)[C@H]([NH3+])c1ccccc1 ZINC000130069132 138398956 /nfs/dbraw/zinc/39/89/56/138398956.db2.gz MJFCQVHWTMMVNP-ABAIWWIYSA-N 1 0 272.323 3.100 10 0 CGAERO Cc1cc(F)ccc1NC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000130083704 138399311 /nfs/dbraw/zinc/39/93/11/138399311.db2.gz RFRHDPCPKBUYDL-MLGOLLRUSA-N 1 0 286.350 3.409 10 0 CGAERO Cc1ccc(F)cc1NC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000130077165 138399313 /nfs/dbraw/zinc/39/93/13/138399313.db2.gz GTTIRTOZRGMRSR-WBMJQRKESA-N 1 0 286.350 3.409 10 0 CGAERO CSCCC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246465099 138534166 /nfs/dbraw/zinc/53/41/66/138534166.db2.gz FQWIHQBLJWAQBB-JKSUJKDBSA-N 1 0 297.439 3.467 10 0 CGAERO C[C@H](COCc1ccccc1)[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000297689281 200261920 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C[C@H](COCc1ccccc1)[NH2+][C@@H](C)c1cccnc1 ZINC000181427641 189295865 /nfs/dbraw/zinc/29/58/65/189295865.db2.gz VNVPWJMJZBFZDQ-CABCVRRESA-N 1 0 270.376 3.338 10 0 CGAERO Cc1ccccc1[C@H]([NH2+]Cc1nnc(C2CC2)n1C)C(C)C ZINC000183201443 189350022 /nfs/dbraw/zinc/35/00/22/189350022.db2.gz YDGACLVZOPFNRK-QGZVFWFLSA-N 1 0 298.434 3.488 10 0 CGAERO COC1(CNc2cc[nH+]c3c(C)cccc23)CCOCC1 ZINC000301755093 201177683 /nfs/dbraw/zinc/17/76/83/201177683.db2.gz CWFSJOQTIFGHEM-UHFFFAOYSA-N 1 0 286.375 3.151 10 0 CGAERO CCc1c(C)[nH+]c2ccccc2c1N(C)Cc1noc(C)n1 ZINC000302187011 201386720 /nfs/dbraw/zinc/38/67/20/201386720.db2.gz PUYJZAUYZGGXED-UHFFFAOYSA-N 1 0 296.374 3.433 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000120363701 370760911 /nfs/dbraw/zinc/76/09/11/370760911.db2.gz VACURKYLFGYGTM-GOEBONIOSA-N 1 0 280.460 3.091 10 0 CGAERO COc1cc(OC)c([C@H](C)[NH2+][C@@H]2C[C@H]2C)cc1Cl ZINC000120530396 370776520 /nfs/dbraw/zinc/77/65/20/370776520.db2.gz SWBDKNOKMIEKMB-VDDIYKPWSA-N 1 0 269.772 3.416 10 0 CGAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)C1 ZINC000194379108 189659664 /nfs/dbraw/zinc/65/96/64/189659664.db2.gz GYNYLEWAAPEKSM-DOTOQJQBSA-N 1 0 298.434 3.007 10 0 CGAERO Fc1ccc(Cl)cc1C[NH2+]C[C@H]1CCc2nccn2C1 ZINC000275579852 193078869 /nfs/dbraw/zinc/07/88/69/193078869.db2.gz OXJFMEOVODUSGV-LLVKDONJSA-N 1 0 293.773 3.028 10 0 CGAERO Fc1cccc(Cl)c1C[NH2+]C[C@H]1CCc2nccn2C1 ZINC000275519097 193065034 /nfs/dbraw/zinc/06/50/34/193065034.db2.gz KYRZTAGHPBALLP-LLVKDONJSA-N 1 0 293.773 3.028 10 0 CGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(C(C)(C)C)cs1 ZINC000121018707 370822574 /nfs/dbraw/zinc/82/25/74/370822574.db2.gz QWCSMYTYBAKGRV-QWHCGFSZSA-N 1 0 293.480 3.109 10 0 CGAERO COc1cccc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000121803080 370897368 /nfs/dbraw/zinc/89/73/68/370897368.db2.gz APUNUMPPOQUXFF-MRXNPFEDSA-N 1 0 271.364 3.146 10 0 CGAERO CCOc1cc(OCC)cc(OCC[NH+](CC)CC)c1 ZINC000000000916 368269557 /nfs/dbraw/zinc/26/95/57/368269557.db2.gz FWOMXAJIAWKNEQ-UHFFFAOYSA-N 1 0 281.396 3.205 10 0 in-man CGAERO Nc1[nH+]ccc(NC(c2ccccc2)c2ccccc2)c1N ZINC000001560086 368418152 /nfs/dbraw/zinc/41/81/52/368418152.db2.gz XYBPHUQXHXSNSN-UHFFFAOYSA-N 1 0 290.370 3.448 10 0 CGAERO Cc1ccc([C@H]([NH3+])Cn2cnc3ccccc32)cc1 ZINC000011849705 368596748 /nfs/dbraw/zinc/59/67/48/368596748.db2.gz VVEHNIXEXUGIHX-CQSZACIVSA-N 1 0 251.333 3.045 10 0 CGAERO c1ccc(C[NH2+]C[C@H]2CCc3ccccc3O2)cc1 ZINC000012355975 368607835 /nfs/dbraw/zinc/60/78/35/368607835.db2.gz YGSXNPFZXQFLSH-MRXNPFEDSA-N 1 0 253.345 3.170 10 0 CGAERO c1ccc(C[NH2+]C[C@@H]2CCc3ccccc3O2)cc1 ZINC000012355974 368607981 /nfs/dbraw/zinc/60/79/81/368607981.db2.gz YGSXNPFZXQFLSH-INIZCTEOSA-N 1 0 253.345 3.170 10 0 CGAERO C[NH+](C)CCC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000013741927 368665226 /nfs/dbraw/zinc/66/52/26/368665226.db2.gz YILRQOFYISHQCQ-UHFFFAOYSA-N 1 0 283.371 3.400 10 0 CGAERO C[NH+](C)[C@@H]1CCc2ccc(O)cc2[C@H]1c1ccccc1 ZINC000013675913 368661047 /nfs/dbraw/zinc/66/10/47/368661047.db2.gz ZCPHLXGFUQWIJX-QZTJIDSGSA-N 1 0 267.372 3.401 10 0 CGAERO COCCC[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000013718303 368663740 /nfs/dbraw/zinc/66/37/40/368663740.db2.gz BUDINMDMISORLU-UHFFFAOYSA-N 1 0 263.312 3.212 10 0 CGAERO O[C@@H]1CCCC[C@H]1[C@@H]1CCCC[N@@H+]1C/C=C/Cl ZINC000124798095 370927188 /nfs/dbraw/zinc/92/71/88/370927188.db2.gz WNXBEBGDKOOLRL-SNAGMBLHSA-N 1 0 257.805 3.145 10 0 CGAERO C[NH+](C)C[C@@H]1Cc2cccc3c4c(n1c23)CCCC4 ZINC000028096710 368880952 /nfs/dbraw/zinc/88/09/52/368880952.db2.gz KXBQXCMXQDCFME-ZDUSSCGKSA-N 1 0 254.377 3.179 10 0 CGAERO COc1ccc2[nH]c3c(c2c1)CC[NH2+]C[C@@H]3c1ccccc1 ZINC000028261305 368883374 /nfs/dbraw/zinc/88/33/74/368883374.db2.gz GCCLOEBFURCBFR-QGZVFWFLSA-N 1 0 292.382 3.454 10 0 CGAERO C[NH+](C)C[C@H](O)[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000034220986 368972449 /nfs/dbraw/zinc/97/24/49/368972449.db2.gz KGSABFQIAANNPS-IRXDYDNUSA-N 1 0 289.806 3.394 10 0 in-man CGAERO COc1ccc([C@@H]([NH3+])CC(F)(F)F)cc1Br ZINC000034958787 368982810 /nfs/dbraw/zinc/98/28/10/368982810.db2.gz PWCRZEVDNNKGGQ-QMMMGPOBSA-N 1 0 298.102 3.410 10 0 CGAERO Cc1cccc(C[N@H+](Cc2ccco2)CC(C)(C)O)c1 ZINC000036115584 369010655 /nfs/dbraw/zinc/01/06/55/369010655.db2.gz KJELGAGUFCICNN-UHFFFAOYSA-N 1 0 273.376 3.361 10 0 CGAERO C[C@@H](O)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@@H+](C)CC3 ZINC000036215449 369014603 /nfs/dbraw/zinc/01/46/03/369014603.db2.gz NEZTVUIFXBALAE-ZFKCKOODSA-N 1 0 285.431 3.428 10 0 CGAERO O[C@H]1CCC[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC000037164378 369074479 /nfs/dbraw/zinc/07/44/79/369074479.db2.gz LLHHYADOEGHYGJ-OLZOCXBDSA-N 1 0 273.298 3.099 10 0 CGAERO COC(=O)CC[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC000037300727 369082056 /nfs/dbraw/zinc/08/20/56/369082056.db2.gz ZSOMVNIRQOEBES-ZDUSSCGKSA-N 1 0 263.381 3.099 10 0 CGAERO COC(=O)CCC[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000037416779 369085194 /nfs/dbraw/zinc/08/51/94/369085194.db2.gz RQLXFHOSFLAIKI-QMMMGPOBSA-N 1 0 261.774 3.005 10 0 CGAERO Cc1cc([C@H](C)NC(=O)C2CCC([NH3+])CC2)c(C)s1 ZINC000037626724 369093394 /nfs/dbraw/zinc/09/33/94/369093394.db2.gz HOGODCWZUYTZHR-PKSQDBQZSA-N 1 0 280.437 3.060 10 0 CGAERO CCc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCCC(C)C)cc1 ZINC000037980710 369131201 /nfs/dbraw/zinc/13/12/01/369131201.db2.gz WARUUACKNRGLLU-HUUCEWRRSA-N 1 0 290.451 3.450 10 0 CGAERO CC(C)CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000042588085 369226747 /nfs/dbraw/zinc/22/67/47/369226747.db2.gz CDDUNJIQXSUYEP-UWVGGRQHSA-N 1 0 288.844 3.213 10 0 CGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C3CC3)C2)CC(C)(C)C1 ZINC000044685008 369265809 /nfs/dbraw/zinc/26/58/09/369265809.db2.gz AHZOBBCCLAFFNT-MCIONIFRSA-N 1 0 250.430 3.028 10 0 CGAERO OCCC[C@@H]1CCC[N@@H+]1Cc1ccccc1Cl ZINC000052761815 369470829 /nfs/dbraw/zinc/47/08/29/369470829.db2.gz YFNJVXYHLPFGKK-ZDUSSCGKSA-N 1 0 253.773 3.077 10 0 CGAERO C[NH2+][C@H](C)C(=O)Nc1ccccc1SC1CCCC1 ZINC000054072759 369492190 /nfs/dbraw/zinc/49/21/90/369492190.db2.gz MFVGLSRMFJBTHK-LLVKDONJSA-N 1 0 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PPJOQZKYOXYAFY-UHFFFAOYSA-N 1 0 255.308 3.449 10 0 CGAERO CCC(C)(C)OC[C@@H]([NH3+])c1cc(C)ccc1OC ZINC000020511634 171230814 /nfs/dbraw/zinc/23/08/14/171230814.db2.gz GJJMZWRHLFHWMF-CYBMUJFWSA-N 1 0 251.370 3.209 10 0 CGAERO C[N@H+]1[C@@H]2CC[C@H]1CC(Nc1ccc(F)c(F)c1F)C2 ZINC000020523855 171236538 /nfs/dbraw/zinc/23/65/38/171236538.db2.gz UPOMQCUMEKGSOR-PBINXNQUSA-N 1 0 270.298 3.141 10 0 CGAERO Fc1ccc(OCCC[NH2+]C2CC2)c(Br)c1 ZINC000020525404 171238051 /nfs/dbraw/zinc/23/80/51/171238051.db2.gz MVKIYRJJYJRCJB-UHFFFAOYSA-N 1 0 288.160 3.109 10 0 CGAERO CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H]2CCCO2)cc1F ZINC000020549951 171246580 /nfs/dbraw/zinc/24/65/80/171246580.db2.gz SQDKDEQGMCLEFJ-TZMCWYRMSA-N 1 0 281.371 3.443 10 0 CGAERO C[C@H]1CCCC[N@@H+]1C[C@@H](N)C12CC3CC(CC(C3)C1)C2 ZINC000020555475 171249793 /nfs/dbraw/zinc/24/97/93/171249793.db2.gz UPZCRGLJFSBOPL-QCAJKXFRSA-N 1 0 276.468 3.405 10 0 CGAERO C[C@@H]1CC[C@@H]([NH3+])[C@@H](Oc2cccc3c2OC(C)(C)C3)C1 ZINC000021813812 171331001 /nfs/dbraw/zinc/33/10/01/171331001.db2.gz RWHPXPVQKFTWCD-KYOSRNDESA-N 1 0 275.392 3.295 10 0 CGAERO C[C@H]([NH2+]CCN(C)C)c1ccc2c(c1)Cc1ccccc1-2 ZINC000022144653 171356385 /nfs/dbraw/zinc/35/63/85/171356385.db2.gz JRGLMYZAOYZYBI-AWEZNQCLSA-N 1 0 280.415 3.470 10 0 CGAERO CCC[NH+](CCC)CCC(=O)Nc1ccc(N)cc1Cl ZINC000022156062 171362393 /nfs/dbraw/zinc/36/23/93/171362393.db2.gz FJWXOOYUTGLVLP-UHFFFAOYSA-N 1 0 297.830 3.373 10 0 CGAERO Cc1cc(N)ccc1NC(=O)CCC[N@H+]1CCCC[C@H]1C ZINC000022155604 171362751 /nfs/dbraw/zinc/36/27/51/171362751.db2.gz SDHGWUOSIGLWJP-CQSZACIVSA-N 1 0 289.423 3.170 10 0 CGAERO [NH3+]C[C@@H](c1ccc(F)cc1F)N1CCc2sccc2C1 ZINC000022165196 171365611 /nfs/dbraw/zinc/36/56/11/171365611.db2.gz SSBUBCBDPMEECX-AWEZNQCLSA-N 1 0 294.370 3.084 10 0 CGAERO C[C@H]1C[C@H](C)CN([C@@H](C[NH3+])c2ccc(OC(F)F)cc2)C1 ZINC000022214451 171375152 /nfs/dbraw/zinc/37/51/52/171375152.db2.gz GORFXAKUQZSOHN-HUBLWGQQSA-N 1 0 298.377 3.266 10 0 CGAERO Nc1ccc(Cl)cc1NC(=O)CCC[NH+]1CCCCC1 ZINC000022217056 171375866 /nfs/dbraw/zinc/37/58/66/171375866.db2.gz WNYFVMAJQZGDSJ-UHFFFAOYSA-N 1 0 295.814 3.127 10 0 CGAERO C[C@@H]([NH3+])c1cccc(NC(=O)Nc2ccc(F)cc2)c1 ZINC000022222500 171378639 /nfs/dbraw/zinc/37/86/39/171378639.db2.gz KLLVLXJKIGJCGQ-SNVBAGLBSA-N 1 0 273.311 3.489 10 0 CGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)Nc1cc(Cl)ccc1N ZINC000022222698 171378741 /nfs/dbraw/zinc/37/87/41/171378741.db2.gz GBWMWGPWOZAMMT-PHIMTYICSA-N 1 0 295.814 3.124 10 0 CGAERO CCN(C[C@@H]([NH3+])c1ccc(OC)cc1)c1ccccc1 ZINC000022564135 171391958 /nfs/dbraw/zinc/39/19/58/171391958.db2.gz UNTRCDPOFXXGIB-QGZVFWFLSA-N 1 0 270.376 3.222 10 0 CGAERO COc1ccccc1[C@@H](C[NH3+])Oc1ccccc1C ZINC000032110285 171702623 /nfs/dbraw/zinc/70/26/23/171702623.db2.gz IZWQTPGDVJNPJC-MRXNPFEDSA-N 1 0 257.333 3.082 10 0 CGAERO C[NH2+][C@@H](C)c1ccc(Sc2nncs2)c(F)c1 ZINC000034669027 171855771 /nfs/dbraw/zinc/85/57/71/171855771.db2.gz VYUDZMSQIZKUOS-ZETCQYMHSA-N 1 0 269.370 3.109 10 0 CGAERO COc1cc(Br)c([C@H]([NH3+])C(C)C)cc1OC ZINC000034940140 171900032 /nfs/dbraw/zinc/90/00/32/171900032.db2.gz MGJIZRVCSGZFHB-GFCCVEGCSA-N 1 0 288.185 3.122 10 0 CGAERO CC(C)[NH2+]C[C@H](O)CSc1cc(Cl)ccc1Cl ZINC000034978795 171911398 /nfs/dbraw/zinc/91/13/98/171911398.db2.gz NVDWXOQCNMKNMY-JTQLQIEISA-N 1 0 294.247 3.444 10 0 CGAERO CC(C)[NH2+]C[C@@H](O)CSc1cc(Cl)ccc1Cl ZINC000034978797 171911487 /nfs/dbraw/zinc/91/14/87/171911487.db2.gz NVDWXOQCNMKNMY-SNVBAGLBSA-N 1 0 294.247 3.444 10 0 CGAERO C[N@H+](Cc1ccccc1)[C@H]1CCc2ccccc2[C@@H]1N ZINC000035206686 172050922 /nfs/dbraw/zinc/05/09/22/172050922.db2.gz ZDXTUGFXXWOJJA-ROUUACIJSA-N 1 0 266.388 3.133 10 0 CGAERO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC000035221877 172064373 /nfs/dbraw/zinc/06/43/73/172064373.db2.gz MPHKZTRDZZZNQP-CXAGYDPISA-N 1 0 288.435 3.347 10 0 CGAERO CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H](c1ccc(C)cc1)C1CC1 ZINC000035224719 172069286 /nfs/dbraw/zinc/06/92/86/172069286.db2.gz SODORVLIKROVNI-PBHICJAKSA-N 1 0 288.435 3.293 10 0 CGAERO Fc1cccc([C@H]2C[NH2+]C[C@@H](c3ccccc3)O2)c1 ZINC000035285293 172103149 /nfs/dbraw/zinc/10/31/49/172103149.db2.gz MLSCMMALTGXXRQ-JKSUJKDBSA-N 1 0 257.308 3.228 10 0 CGAERO CC[NH+](CC)CCCNc1ccc2scnc2c1N ZINC000035344358 172136461 /nfs/dbraw/zinc/13/64/61/172136461.db2.gz CKMJAADAWJMRIP-UHFFFAOYSA-N 1 0 278.425 3.022 10 0 CGAERO CCCCOc1cc(OCCC)ccc1C[NH2+]C ZINC000035414083 172187538 /nfs/dbraw/zinc/18/75/38/172187538.db2.gz GBIMEMIVDJYQDQ-UHFFFAOYSA-N 1 0 251.370 3.374 10 0 CGAERO CCCN(c1nc2sccn2c1C[NH2+]CC)C(C)C ZINC000035430149 172197946 /nfs/dbraw/zinc/19/79/46/172197946.db2.gz SYVXZFAJIBTAIV-UHFFFAOYSA-N 1 0 280.441 3.130 10 0 CGAERO Cc1cccc(Oc2nc3sccn3c2C[NH3+])c1C ZINC000035430539 172199193 /nfs/dbraw/zinc/19/91/93/172199193.db2.gz MEWHUMISYZSJSV-UHFFFAOYSA-N 1 0 273.361 3.264 10 0 CGAERO C[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1C[C@@H]1C ZINC000035462975 172210734 /nfs/dbraw/zinc/21/07/34/172210734.db2.gz CWVKRKGYBYGUPM-XXILOJSOSA-N 1 0 254.171 3.366 10 0 CGAERO CC[NH2+][C@@H](CC(F)(F)F)c1ccc(OC)cc1OC ZINC000035546139 172254319 /nfs/dbraw/zinc/25/43/19/172254319.db2.gz PRNXBEOTJAHPQA-NSHDSACASA-N 1 0 277.286 3.307 10 0 CGAERO CCC[NH2+][C@H](c1ccc(F)cc1F)[C@H]1CCCO1 ZINC000035582012 172279497 /nfs/dbraw/zinc/27/94/97/172279497.db2.gz WASGTRAYFREEAW-ZIAGYGMSSA-N 1 0 255.308 3.185 10 0 CGAERO C[NH2+][C@H]1COc2c1c(Cl)c(Cl)cc2Cl ZINC000035653171 172329780 /nfs/dbraw/zinc/32/97/80/172329780.db2.gz NQRHEYGJEXXWJU-LURJTMIESA-N 1 0 252.528 3.300 10 0 CGAERO CCC[NH2+][C@H](C)c1cc(C)ccc1OCCOC ZINC000035629809 172311134 /nfs/dbraw/zinc/31/11/34/172311134.db2.gz XTXDWNNWGVSNTD-CYBMUJFWSA-N 1 0 251.370 3.081 10 0 CGAERO C[NH2+][C@@H](C)c1ccccc1NC(=O)OCC(C)C ZINC000035645744 172322836 /nfs/dbraw/zinc/32/28/36/172322836.db2.gz QTIHHYMDGQCBGC-NSHDSACASA-N 1 0 250.342 3.172 10 0 CGAERO CN(Cc1ccco1)[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000035701406 172369042 /nfs/dbraw/zinc/36/90/42/172369042.db2.gz WKKMDRLKUYODEV-CQSZACIVSA-N 1 0 264.756 3.065 10 0 CGAERO C[C@@H]1CCCC[C@]1(C[NH3+])N(C)Cc1cccs1 ZINC000035717174 172371281 /nfs/dbraw/zinc/37/12/81/172371281.db2.gz WKCPCXKCBCCONK-TZMCWYRMSA-N 1 0 252.427 3.088 10 0 CGAERO CN(Cc1ccsc1)[C@H](C[NH3+])C1CCCCC1 ZINC000035718758 172373346 /nfs/dbraw/zinc/37/33/46/172373346.db2.gz IDJMAFKEMYBZMW-CQSZACIVSA-N 1 0 252.427 3.088 10 0 CGAERO Cc1ccc(Oc2cc(C[NH3+])ccn2)c(Br)c1 ZINC000035719854 172374452 /nfs/dbraw/zinc/37/44/52/172374452.db2.gz LCNXRBSPLGLJOJ-UHFFFAOYSA-N 1 0 293.164 3.404 10 0 CGAERO [NH3+]Cc1cccnc1Sc1nc2ccccc2s1 ZINC000035719983 172374730 /nfs/dbraw/zinc/37/47/30/172374730.db2.gz LCFCNVAPTNATNF-UHFFFAOYSA-N 1 0 273.386 3.301 10 0 CGAERO CC(C)[C@H]([NH3+])c1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000036175456 172496123 /nfs/dbraw/zinc/49/61/23/172496123.db2.gz AYHDYMHNAXGXOU-ZDUSSCGKSA-N 1 0 276.361 3.195 10 0 CGAERO Cc1cc2c(nc(Cl)nc2NCCC[NH+](C)C)s1 ZINC000036277600 172568487 /nfs/dbraw/zinc/56/84/87/172568487.db2.gz RNHRTUWUCOBGEZ-UHFFFAOYSA-N 1 0 284.816 3.017 10 0 CGAERO CC[NH2+]Cc1ccccc1NC(=O)c1ccccc1 ZINC000036281439 172572932 /nfs/dbraw/zinc/57/29/32/172572932.db2.gz NBRPUWJVERXWKQ-UHFFFAOYSA-N 1 0 254.333 3.048 10 0 CGAERO CCc1ccc(-c2c[nH]c([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000036876373 172772403 /nfs/dbraw/zinc/77/24/03/172772403.db2.gz RMPBFOHZGNKLPY-CQSZACIVSA-N 1 0 255.365 3.106 10 0 CGAERO Nc1[nH+]c2cc(Cl)ccc2n1Cc1cccc(F)c1 ZINC000036889747 172784673 /nfs/dbraw/zinc/78/46/73/172784673.db2.gz GRYYEPVNKIEJFT-UHFFFAOYSA-N 1 0 275.714 3.459 10 0 CGAERO CCC(CC)[NH2+]Cc1c(C)nc2scc(C)n12 ZINC000037186951 173017156 /nfs/dbraw/zinc/01/71/56/173017156.db2.gz NOPISROPKIJDFL-UHFFFAOYSA-N 1 0 251.399 3.291 10 0 CGAERO C[N@@H+]1CCCC[C@@H]1CCSc1ccc(N)cc1F ZINC000037194017 173023049 /nfs/dbraw/zinc/02/30/49/173023049.db2.gz PZAWQQRGWFWDJB-GFCCVEGCSA-N 1 0 268.401 3.374 10 0 CGAERO Cc1ccc(F)c(N[C@H](C)[C@@H]2CCC[N@H+](C)C2)c1 ZINC000037221892 173042357 /nfs/dbraw/zinc/04/23/57/173042357.db2.gz VCIWCICMKSPSPD-CHWSQXEVSA-N 1 0 250.361 3.276 10 0 CGAERO C[C@H]1CCC[C@H](OC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000037222980 173043121 /nfs/dbraw/zinc/04/31/21/173043121.db2.gz DQKZWMWFSGMBLB-FZMZJTMJSA-N 1 0 262.353 3.273 10 0 CGAERO Cc1ccc2[nH]c([C@@H]([NH3+])Cc3ccccc3)nc2c1 ZINC000037288993 173093744 /nfs/dbraw/zinc/09/37/44/173093744.db2.gz UKIROPNKZMSXFU-ZDUSSCGKSA-N 1 0 251.333 3.114 10 0 CGAERO O[C@H](c1ccc(-c2ccccc2)cc1)[C@H]1CCC[NH2+]C1 ZINC000037327940 173128516 /nfs/dbraw/zinc/12/85/16/173128516.db2.gz UZDOUDBZWJAUPI-ZWKOTPCHSA-N 1 0 267.372 3.387 10 0 CGAERO CC[N@H+](CC(=O)c1ccc(F)c(F)c1)C1CCCC1 ZINC000037337439 173138765 /nfs/dbraw/zinc/13/87/65/173138765.db2.gz BZSGTXCAEIZXDJ-UHFFFAOYSA-N 1 0 267.319 3.412 10 0 CGAERO CCOc1cccc([C@H]([NH3+])c2ccc(OC)cc2)c1 ZINC000037533342 173253835 /nfs/dbraw/zinc/25/38/35/173253835.db2.gz MQBAMYACXFDQFJ-MRXNPFEDSA-N 1 0 257.333 3.142 10 0 CGAERO CC(C)[NH2+]CCC(=O)Nc1ccc2sccc2c1 ZINC000037618589 173567603 /nfs/dbraw/zinc/56/76/03/173567603.db2.gz FLPMPJOESYFHPI-UHFFFAOYSA-N 1 0 262.378 3.228 10 0 CGAERO Cc1c(Cl)cccc1NC(=O)C1CCC([NH3+])CC1 ZINC000037622840 173574928 /nfs/dbraw/zinc/57/49/28/173574928.db2.gz IQTNLLRLESUCOH-UHFFFAOYSA-N 1 0 266.772 3.104 10 0 CGAERO CCCOc1ccc(C[C@@H](C)[NH3+])c(OCCC)c1 ZINC000037722230 173640808 /nfs/dbraw/zinc/64/08/08/173640808.db2.gz GSQPGEAXQWGYSY-GFCCVEGCSA-N 1 0 251.370 3.154 10 0 CGAERO C[C@H](c1ccccc1Cl)N(C)C(=O)C1([NH3+])CCCC1 ZINC000037808258 173750675 /nfs/dbraw/zinc/75/06/75/173750675.db2.gz SZZMIYOITBVPII-LLVKDONJSA-N 1 0 280.799 3.131 10 0 CGAERO c1ccc2c(c1)cccc2CC[NH2+]C[C@H]1CCCO1 ZINC000037927435 173865792 /nfs/dbraw/zinc/86/57/92/173865792.db2.gz JVOOZHBYCDKKBB-MRXNPFEDSA-N 1 0 255.361 3.151 10 0 CGAERO Cc1ccccc1[C@@](C)([NH2+]C1CCCCCC1)C(N)=O ZINC000037972328 173924638 /nfs/dbraw/zinc/92/46/38/173924638.db2.gz VQHGYCMIXFUCFA-QGZVFWFLSA-N 1 0 274.408 3.008 10 0 CGAERO C[C@H](CCc1ccco1)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000038009609 173975179 /nfs/dbraw/zinc/97/51/79/173975179.db2.gz KDUCBUMUCLTWAG-CZUORRHYSA-N 1 0 271.360 3.194 10 0 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DAPHEKQRFIOPLE-CWSCBRNRSA-N 1 0 299.212 3.062 10 0 CGAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCC[C@H](C2CCCCC2)C1 ZINC000662740822 419486970 /nfs/dbraw/zinc/48/69/70/419486970.db2.gz IMOLNGZTUCYNND-HOTGVXAUSA-N 1 0 280.456 3.179 10 0 CGAERO CC[C@@H]([NH2+]C)C(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000662444222 419440445 /nfs/dbraw/zinc/44/04/45/419440445.db2.gz GOCPWIVIKIUROK-XJKSGUPXSA-N 1 0 276.424 3.060 10 0 CGAERO CN(C(=O)CCCC1CCCCC1)[C@H](C[NH3+])C(F)(F)F ZINC000662974975 419511692 /nfs/dbraw/zinc/51/16/92/419511692.db2.gz CHVYRMQOQRLBKL-GFCCVEGCSA-N 1 0 294.361 3.085 10 0 CGAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@H]2CCC[C@H](C)O2)c1C ZINC000658221892 419678831 /nfs/dbraw/zinc/67/88/31/419678831.db2.gz VDSRJTRTPJTJIP-SLEUVZQESA-N 1 0 279.428 3.128 10 0 CGAERO C[C@H](CC[NH2+][C@H](C)C1CCC1)NC(=O)OC(C)(C)C ZINC000180521281 260105026 /nfs/dbraw/zinc/10/50/26/260105026.db2.gz AQMWYUMXMMPFDA-VXGBXAGGSA-N 1 0 270.417 3.068 10 0 CGAERO COc1ccc([C@H](C)[NH2+][C@@H](CC(C)C)CN(C)C)cc1 ZINC000037167127 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CCc1nnc(C[NH2+][C@@H]2CCC[C@H]2CCC(C)C)n1C ZINC000191878209 270076690 /nfs/dbraw/zinc/07/66/90/270076690.db2.gz CCOFHKDWQGQXAC-UONOGXRCSA-N 1 0 278.444 3.072 10 0 CGAERO O[C@]12CCCC[C@H]1C[N@H+](CCCc1ccccc1)CC2 ZINC000220381122 270085997 /nfs/dbraw/zinc/08/59/97/270085997.db2.gz YEZYPIHUSAWLOL-ROUUACIJSA-N 1 0 273.420 3.246 10 0 CGAERO COc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000247196526 274162586 /nfs/dbraw/zinc/16/25/86/274162586.db2.gz URYPQOCHAOWVTR-CRNXPOROSA-N 1 0 275.392 3.303 10 0 CGAERO C[C@@H]1CCN(Cc2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000235324259 274302492 /nfs/dbraw/zinc/30/24/92/274302492.db2.gz VKWDAIZZPIFRSF-BXUZGUMPSA-N 1 0 297.240 3.008 10 0 CGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccccc1C(F)(F)F ZINC000083550929 274374646 /nfs/dbraw/zinc/37/46/46/274374646.db2.gz WQYSCTUDPWBKCD-TZMCWYRMSA-N 1 0 298.352 3.374 10 0 CGAERO Cc1cnn(CC[NH2+][C@H]2CC[C@H](C)c3ccccc32)c1 ZINC000123904122 274830390 /nfs/dbraw/zinc/83/03/90/274830390.db2.gz 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ZINC000063084763 623295145 /nfs/dbraw/zinc/29/51/45/623295145.db2.gz BBJICSIHKGHRNA-SECBINFHSA-N 1 0 295.745 3.071 10 0 CGAERO [NH3+]Cc1c[nH]c2ccc(OCc3ccccc3)cc12 ZINC000084848139 625781736 /nfs/dbraw/zinc/78/17/36/625781736.db2.gz HZCQTRNYXZYDLD-UHFFFAOYSA-N 1 0 252.317 3.206 10 0 CGAERO COc1cccc([C@@H]2CCC[N@@H+](C(C)C)C2)c1F ZINC000757564466 630332319 /nfs/dbraw/zinc/33/23/19/630332319.db2.gz BGCDBRQJXZZZTM-GFCCVEGCSA-N 1 0 251.345 3.422 10 0 CGAERO CCOc1cccc([C@@H]2CCC[N@H+](CC)C2)c1F ZINC000757569707 630508853 /nfs/dbraw/zinc/50/88/53/630508853.db2.gz ZSJMVOHTLJVPQX-GFCCVEGCSA-N 1 0 251.345 3.424 10 0 CGAERO CC(C)[C@@H]1CCC[C@@]2(C[NH2+]C[C@@H]2C(=O)OC(C)(C)C)C1 ZINC000757183572 630588012 /nfs/dbraw/zinc/58/80/12/630588012.db2.gz DBIGUHAQHQAXIW-CPUCHLNUSA-N 1 0 281.440 3.380 10 0 CGAERO CC(C)(C)OC(=O)[C@]1(F)C[C@@H](c2ccccc2)CC[C@@H]1[NH3+] ZINC000757183851 630588081 /nfs/dbraw/zinc/58/80/81/630588081.db2.gz SBDDSKVHIVYKLG-ZQIUZPCESA-N 1 0 293.382 3.331 10 0 CGAERO CCOC(=O)/C=C1/C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000757192546 630588615 /nfs/dbraw/zinc/58/86/15/630588615.db2.gz WAJGPNQKWZULBK-CZAONCGOSA-N 1 0 285.387 3.160 10 0 CGAERO Cc1cc(F)ccc1-c1noc([C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000126242362 634934918 /nfs/dbraw/zinc/93/49/18/634934918.db2.gz AJMIBHTVWSRVRR-ZWNOBZJWSA-N 1 0 275.327 3.027 10 0 CGAERO CC[C@H](C)[N@H+](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000104687743 635314096 /nfs/dbraw/zinc/31/40/96/635314096.db2.gz DOXOCSUGXULWCR-ZDUSSCGKSA-N 1 0 262.397 3.479 10 0 CGAERO C[C@@H](CC[NH2+]CCc1ccccc1)NC(=O)OC(C)(C)C ZINC000221111202 637721054 /nfs/dbraw/zinc/72/10/54/637721054.db2.gz SMLGJSHSEXRAIV-AWEZNQCLSA-N 1 0 292.423 3.122 10 0 CGAERO Oc1ccc(C[NH2+][C@H]2CCc3ccccc32)cc1F ZINC000223771393 637887228 /nfs/dbraw/zinc/88/72/28/637887228.db2.gz AIKCCZGGLCWSRO-HNNXBMFYSA-N 1 0 257.308 3.308 10 0 CGAERO O[C@H](C[NH+]1CCCCC1)c1ccc2ccccc2c1 ZINC000042244255 639914346 /nfs/dbraw/zinc/91/43/46/639914346.db2.gz NBHSAWIIABZCSJ-QGZVFWFLSA-N 1 0 255.361 3.359 10 0 CGAERO CCCCCCNC(=O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000155791287 639949575 /nfs/dbraw/zinc/94/95/75/639949575.db2.gz FIAPRRRZLKYDPV-LBPRGKRZSA-N 1 0 298.377 3.312 10 0 CGAERO C[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cc2ccccc2o1 ZINC000044116165 639956973 /nfs/dbraw/zinc/95/69/73/639956973.db2.gz SFTOUFHEBXJTMI-OCCSQVGLSA-N 1 0 259.349 3.341 10 0 CGAERO CCC1CCC(c2noc(C[C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000087933596 640613658 /nfs/dbraw/zinc/61/36/58/640613658.db2.gz OCLNGIDQXIKADG-MOKVOYLWSA-N 1 0 277.412 3.296 10 0 CGAERO [NH3+]C[C@@H]1CCCC[C@@H]1c1nc(Cc2ccccc2F)no1 ZINC000089383516 640643381 /nfs/dbraw/zinc/64/33/81/640643381.db2.gz YKFIXRSAKSQTIM-STQMWFEESA-N 1 0 289.354 3.032 10 0 CGAERO Cc1ccc(Cc2noc([C@@H]3CCCC[C@H]3C[NH3+])n2)cc1 ZINC000089383563 640643451 /nfs/dbraw/zinc/64/34/51/640643451.db2.gz BMKTYMFFTBLDDI-LSDHHAIUSA-N 1 0 285.391 3.201 10 0 CGAERO CN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089390848 640644567 /nfs/dbraw/zinc/64/45/67/640644567.db2.gz HSMUWYMXSHERAM-HIFRSBDPSA-N 1 0 294.826 3.064 10 0 CGAERO CCOC(=O)[C@]1(C/C=C\c2ccccc2)CCC[N@H+](C)C1 ZINC000096837235 640839765 /nfs/dbraw/zinc/83/97/65/640839765.db2.gz KRKADJQTSGWDFN-RLGIIYIFSA-N 1 0 287.403 3.365 10 0 CGAERO CCC1CCC(c2noc([C@@H]3CC[C@H]([NH3+])C3)n2)CC1 ZINC000097068565 640855070 /nfs/dbraw/zinc/85/50/70/640855070.db2.gz LNQXKEJKKLCQPS-TUUUFIMRSA-N 1 0 263.385 3.348 10 0 CGAERO C[NH2+][C@@H](Cc1cc(Cl)ccc1N)c1ccccc1 ZINC000082315997 177959756 /nfs/dbraw/zinc/95/97/56/177959756.db2.gz HVZXNMPJCQSSBP-HNNXBMFYSA-N 1 0 260.768 3.425 10 0 CGAERO Fc1ccccc1-n1ncc(C[NH2+]C2CC2)c1C(F)(F)F ZINC000082661914 178150171 /nfs/dbraw/zinc/15/01/71/178150171.db2.gz CEZJTWJIKYDMIL-UHFFFAOYSA-N 1 0 299.271 3.282 10 0 CGAERO Cc1cccc2c1CN(Cc1ccccc1)[C@@H]2C[NH3+] ZINC000082700433 178202969 /nfs/dbraw/zinc/20/29/69/178202969.db2.gz WDRQZXSYSHVNNY-QGZVFWFLSA-N 1 0 252.361 3.011 10 0 CGAERO Cc1cc(C)c([C@H](O)[C@@H]2CCC[NH2+]2)c(C)c1Br ZINC000083161620 178345912 /nfs/dbraw/zinc/34/59/12/178345912.db2.gz RTQNRHUQEGZKIH-SMDDNHRTSA-N 1 0 298.224 3.160 10 0 CGAERO CC(C)[C@@H]1CN[C@H](C)C[N@@H+]1CCC1=CCCCC1 ZINC000083383851 178387172 /nfs/dbraw/zinc/38/71/72/178387172.db2.gz NFKQEECXDBYSHX-ZBFHGGJFSA-N 1 0 250.430 3.195 10 0 CGAERO CCCC1CCC([NH2+]C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000085979637 534927881 /nfs/dbraw/zinc/92/78/81/534927881.db2.gz ARTSOSUBIWORTL-GRAKBVBRSA-N 1 0 253.430 3.486 10 0 CGAERO CC(C)(C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1cccs1 ZINC000126121180 187218717 /nfs/dbraw/zinc/21/87/17/187218717.db2.gz IRPSHONHXPBZKX-YUTCNCBUSA-N 1 0 279.449 3.429 10 0 CGAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000623428182 349805654 /nfs/dbraw/zinc/80/56/54/349805654.db2.gz AZUYGGDJUFDDEH-ZANVPECISA-N 1 0 289.753 3.259 10 0 CGAERO O[C@@]12CCCC[C@@H]1CN(c1cc[nH+]c3ccccc31)CC2 ZINC000128356036 136387352 /nfs/dbraw/zinc/38/73/52/136387352.db2.gz OUFDYWJNKFDWHG-RDTXWAMCSA-N 1 0 282.387 3.366 10 0 CGAERO c1ccc(Cc2ccc(OCC[NH+]3CCCC3)nc2)cc1 ZINC000000021082 344854423 /nfs/dbraw/zinc/85/44/23/344854423.db2.gz MCGFOOXUAVKEAY-UHFFFAOYSA-N 1 0 282.387 3.147 10 0 CGAERO C[C@@]1([NH3+])CCCc2nc(OCc3ccccc3)ccc21 ZINC000003806898 344859656 /nfs/dbraw/zinc/85/96/56/344859656.db2.gz UEENSLQJHRTUCK-QGZVFWFLSA-N 1 0 268.360 3.171 10 0 CGAERO O=C1CCC[C@H]([N@H+]2CC=C(c3ccccc3)CC2)C1 ZINC000034084797 344937990 /nfs/dbraw/zinc/93/79/90/344937990.db2.gz ASEMFRIEBUPRNR-INIZCTEOSA-N 1 0 255.361 3.287 10 0 CGAERO COc1ccc2c(c1)[C@@H](c1ccccc1)OC21CC[NH2+]CC1 ZINC000039206747 344957985 /nfs/dbraw/zinc/95/79/85/344957985.db2.gz CPRSJOQHSIRVGM-GOSISDBHSA-N 1 0 295.382 3.394 10 0 CGAERO Cc1occc1[C@@H]([NH3+])c1ccc(Br)s1 ZINC000040236038 344961891 /nfs/dbraw/zinc/96/18/91/344961891.db2.gz HXHICELNLYTMCC-SNVBAGLBSA-N 1 0 272.167 3.460 10 0 CGAERO C[NH2+]C[C@@H]1Cc2cccc(-c3cc(F)ccc3F)c2O1 ZINC000034776580 344940585 /nfs/dbraw/zinc/94/05/85/344940585.db2.gz ZKMQMKVAWZDSSN-LBPRGKRZSA-N 1 0 275.298 3.155 10 0 CGAERO C[NH2+]CCCOc1ccc(Cc2cccs2)cc1 ZINC000034607511 344940952 /nfs/dbraw/zinc/94/09/52/344940952.db2.gz GRKZGLJDPYPOLF-UHFFFAOYSA-N 1 0 261.390 3.327 10 0 CGAERO COc1cccc([C@@H]([NH3+])c2ccc3c(c2)CCC3)c1 ZINC000034939658 344941513 /nfs/dbraw/zinc/94/15/13/344941513.db2.gz DFQCLTZMBTVOIZ-QGZVFWFLSA-N 1 0 253.345 3.232 10 0 CGAERO CCc1oc2ccccc2c1C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000037166246 344948151 /nfs/dbraw/zinc/94/81/51/344948151.db2.gz YIFCWABDILBHBM-OLZOCXBDSA-N 1 0 273.376 3.388 10 0 CGAERO C[NH2+][C@H]1CCC[C@H]1Cc1ccc(Br)s1 ZINC000042398859 344982982 /nfs/dbraw/zinc/98/29/82/344982982.db2.gz GTZVQBZWMORWSB-WPRPVWTQSA-N 1 0 274.227 3.441 10 0 CGAERO c1ccc2c(c1)CCN[C@@H]2C[NH+]1CCCCCCC1 ZINC000043596000 345001833 /nfs/dbraw/zinc/00/18/33/345001833.db2.gz RFRQTIVFJDRVLD-QGZVFWFLSA-N 1 0 258.409 3.140 10 0 CGAERO O[C@H]1CCC[C@@H]([NH2+]Cc2csc3ccccc23)C1 ZINC000049592689 345074566 /nfs/dbraw/zinc/07/45/66/345074566.db2.gz IUIXLQITIHDJOW-OLZOCXBDSA-N 1 0 261.390 3.294 10 0 CGAERO Cc1cc(Br)cc(Cl)c1O[C@H](C)C[NH3+] ZINC000053587714 345122885 /nfs/dbraw/zinc/12/28/85/345122885.db2.gz LBQQTUMQQUYLIV-SSDOTTSWSA-N 1 0 278.577 3.137 10 0 CGAERO CC[C@@]1(c2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000054587591 345136854 /nfs/dbraw/zinc/13/68/54/345136854.db2.gz JYRNITKJHLOJOO-PWSUYJOCSA-N 1 0 254.171 3.076 10 0 CGAERO CCCCNC(=O)C[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000067127783 345315759 /nfs/dbraw/zinc/31/57/59/345315759.db2.gz MROPVKLQQCPIRK-AWEZNQCLSA-N 1 0 276.424 3.377 10 0 CGAERO C[NH2+][C@H]1CCCC[C@@H]1c1occc1Br ZINC000068983343 345369990 /nfs/dbraw/zinc/36/99/90/345369990.db2.gz SRRMDDOVLAQFAQ-WPRPVWTQSA-N 1 0 258.159 3.288 10 0 CGAERO CCn1cc([C@@H](C)[NH2+][C@H]2CCOc3ccccc32)cn1 ZINC000044497545 232171935 /nfs/dbraw/zinc/17/19/35/232171935.db2.gz GGDMXNHZZWPANT-DOMZBBRYSA-N 1 0 271.364 3.077 10 0 CGAERO C[C@]1(C(=O)Nc2cc(Cl)cc(Cl)c2)CCC[NH2+]1 ZINC000079510463 345644399 /nfs/dbraw/zinc/64/43/99/345644399.db2.gz FMCSVDYUDDRZGM-GFCCVEGCSA-N 1 0 273.163 3.074 10 0 CGAERO Cc1cccc([C@H](C)[NH2+]CC(=O)Nc2cccc(F)c2)c1 ZINC000157334350 232232852 /nfs/dbraw/zinc/23/28/52/232232852.db2.gz DXXOLMUAJVDKMM-ZDUSSCGKSA-N 1 0 286.350 3.423 10 0 CGAERO Nc1ccccc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000090960946 345799024 /nfs/dbraw/zinc/79/90/24/345799024.db2.gz AZUWATFTFBELJG-UHFFFAOYSA-N 1 0 256.393 3.327 10 0 CGAERO Cc1cccc(C)c1C(=O)N[C@H]1CCC[C@H]1[NH+]1CCCC1 ZINC000113793979 345962039 /nfs/dbraw/zinc/96/20/39/345962039.db2.gz WGTJMAQEXNNFPC-JKSUJKDBSA-N 1 0 286.419 3.050 10 0 CGAERO Cc1nc(C)n2c1[C@H](CCc1ccc(C)cc1C)[NH2+]CC2 ZINC000114153432 345963835 /nfs/dbraw/zinc/96/38/35/345963835.db2.gz RIKSIGXHAPRYJB-KRWDZBQOSA-N 1 0 283.419 3.394 10 0 CGAERO CC1CCN(CC[NH2+]Cc2ccnc3ccccc23)CC1 ZINC000111763501 345950829 /nfs/dbraw/zinc/95/08/29/345950829.db2.gz FGVLYWUYHRFVLX-UHFFFAOYSA-N 1 0 283.419 3.056 10 0 CGAERO c1ccc([C@@H]2C[C@H](N3CC[NH2+]CC3)c3ccccc32)cc1 ZINC000114906493 345967463 /nfs/dbraw/zinc/96/74/63/345967463.db2.gz QPABODDHXQJCDN-OALUTQOASA-N 1 0 278.399 3.169 10 0 CGAERO Fc1ccc([C@@H]2C[NH2+]CCCN2c2ccccc2)cc1 ZINC000117608407 345985088 /nfs/dbraw/zinc/98/50/88/345985088.db2.gz JNCLBDPBETWQBZ-KRWDZBQOSA-N 1 0 270.351 3.367 10 0 CGAERO CCOc1ccc([C@H](C)[NH2+][C@H]2CN(C(C)C)C[C@@H]2C)cc1 ZINC000119392618 345993134 /nfs/dbraw/zinc/99/31/34/345993134.db2.gz SZFCRVRQXCBGLL-MPGHIAIKSA-N 1 0 290.451 3.465 10 0 CGAERO Cc1nc2cc(-c3ccc4c(c3)C[NH2+]CCO4)ccc2[nH]1 ZINC000114717106 345966874 /nfs/dbraw/zinc/96/68/74/345966874.db2.gz YERYWDPECZALGQ-UHFFFAOYSA-N 1 0 279.343 3.020 10 0 CGAERO C[NH2+][C@H]1c2cc(C)cc(Br)c2C[C@@H]1C ZINC000129744561 346052312 /nfs/dbraw/zinc/05/23/12/346052312.db2.gz VTUAZWZWFWHEMS-QPUJVOFHSA-N 1 0 254.171 3.210 10 0 CGAERO C[C@@H]1Cc2c(Br)cc(Cl)cc2C[NH2+]1 ZINC000126649694 346025676 /nfs/dbraw/zinc/02/56/76/346025676.db2.gz HVQVMCXCYMEJEX-ZCFIWIBFSA-N 1 0 260.562 3.137 10 0 CGAERO [NH3+]C[C@@H]1C[C@H]1c1ccc(Cl)cc1Br ZINC000126671066 346026098 /nfs/dbraw/zinc/02/60/98/346026098.db2.gz GISHYAUCHFQUNJ-IMTBSYHQSA-N 1 0 260.562 3.165 10 0 CGAERO CC(C)NC(=[NH2+])c1ccc(Cl)c(Br)c1 ZINC000126881202 346027558 /nfs/dbraw/zinc/02/75/58/346027558.db2.gz UVXNBHXMOYXFJW-UHFFFAOYSA-N 1 0 275.577 3.426 10 0 CGAERO c1cc([C@@H]2CC[NH2+]C[C@H]2OCC2CCCCC2)co1 ZINC000140569389 346105198 /nfs/dbraw/zinc/10/51/98/346105198.db2.gz YHINUSVUQSDVNZ-JKSUJKDBSA-N 1 0 263.381 3.322 10 0 CGAERO O[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000135625732 346088869 /nfs/dbraw/zinc/08/88/69/346088869.db2.gz FTFWDXFXWPBDJI-ZIAGYGMSSA-N 1 0 269.335 3.407 10 0 CGAERO [NH3+]C[C@@H]1C[C@H]1c1ccc(Cl)c(Br)c1 ZINC000137241396 346093537 /nfs/dbraw/zinc/09/35/37/346093537.db2.gz PTRDZGMEBWMKEE-YUMQZZPRSA-N 1 0 260.562 3.165 10 0 CGAERO CCOC(=O)c1ccc(C[NH2+]CCCc2ccccc2)o1 ZINC000142705558 346111841 /nfs/dbraw/zinc/11/18/41/346111841.db2.gz NPNMSFOKLHMLSS-UHFFFAOYSA-N 1 0 287.359 3.179 10 0 CGAERO CC[C@](C)(C[NH3+])c1csc(-c2ccnc3n[nH]cc32)c1 ZINC000144579774 346118437 /nfs/dbraw/zinc/11/84/37/346118437.db2.gz OCHCXVQSCJVXBJ-OAHLLOKOSA-N 1 0 286.404 3.313 10 0 CGAERO OC[C@@H]1C[C@H](Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000147300875 346125820 /nfs/dbraw/zinc/12/58/20/346125820.db2.gz ICZGVQUCRCVQAX-OALUTQOASA-N 1 0 281.399 3.112 10 0 CGAERO C[C@H]([NH3+])[C@H](Cc1ccc(Cl)cc1)OCC1CCC1 ZINC000149925043 346131695 /nfs/dbraw/zinc/13/16/95/346131695.db2.gz POQZWZPRDMLEHO-NHYWBVRUSA-N 1 0 267.800 3.415 10 0 CGAERO [NH3+][C@H](Cc1cncs1)c1cc(Br)cs1 ZINC000159718589 346168433 /nfs/dbraw/zinc/16/84/33/346168433.db2.gz WTCIDAMPKDQYBC-MRVPVSSYSA-N 1 0 289.223 3.210 10 0 CGAERO COc1c(C)cc(Br)c(C)c1[C@@H](C)[NH3+] ZINC000159775645 346168825 /nfs/dbraw/zinc/16/88/25/346168825.db2.gz ADNLWGOWBBWTIC-MRVPVSSYSA-N 1 0 258.159 3.094 10 0 CGAERO Cc1cc(Br)cc2cc([C@@H](C)[NH3+])[nH]c21 ZINC000167067303 346188039 /nfs/dbraw/zinc/18/80/39/346188039.db2.gz JAQSJZPFVUQLCL-SSDOTTSWSA-N 1 0 253.143 3.259 10 0 CGAERO COC(=O)CCCCc1[nH+]c2c(cc1C1CC1)CCCN2 ZINC000167052684 346188242 /nfs/dbraw/zinc/18/82/42/346188242.db2.gz NWVFIUCWBMWNRF-UHFFFAOYSA-N 1 0 288.391 3.203 10 0 CGAERO CC(C)[C@@H]([NH3+])Cc1ccc(Br)c(F)c1 ZINC000167986284 346189658 /nfs/dbraw/zinc/18/96/58/346189658.db2.gz OOMILCXYBSZZTN-NSHDSACASA-N 1 0 260.150 3.114 10 0 CGAERO C[N@@H+]1CCC[C@H](c2ccc(C(F)(F)F)cc2N)C1 ZINC000201861965 346280709 /nfs/dbraw/zinc/28/07/09/346280709.db2.gz ZBQNULFHFMGZAU-VIFPVBQESA-N 1 0 258.287 3.097 10 0 CGAERO Fc1cc(Br)ccc1[C@@H]1CCCC[NH2+]1 ZINC000218292538 346292838 /nfs/dbraw/zinc/29/28/38/346292838.db2.gz BCHSPZNDBRHACE-NSHDSACASA-N 1 0 258.134 3.403 10 0 CGAERO CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC000218940663 346293892 /nfs/dbraw/zinc/29/38/92/346293892.db2.gz JHUBPKSSFGUXBB-AWEZNQCLSA-N 1 0 276.380 3.482 10 0 CGAERO CC[C@@H]1C[C@]1([NH3+])c1cc(F)ccc1Br ZINC000233929935 346330622 /nfs/dbraw/zinc/33/06/22/346330622.db2.gz OZQMCYFFUITYIU-RDDDGLTNSA-N 1 0 258.134 3.172 10 0 CGAERO C[NH2+]C[C@@H]1C[C@H]1c1cc(Br)c(Cl)s1 ZINC000227955395 346311559 /nfs/dbraw/zinc/31/15/59/346311559.db2.gz VYOFFCSTLJFSIV-NTSWFWBYSA-N 1 0 280.618 3.487 10 0 CGAERO C[C@H]([NH3+])/C=C/c1cc(Cl)ccc1Br ZINC000231751609 346323917 /nfs/dbraw/zinc/32/39/17/346323917.db2.gz USYMNNAOOQSULK-AIYRYJHASA-N 1 0 260.562 3.463 10 0 CGAERO [NH3+][C@H](c1cc(F)c(F)cc1Br)C1CC1 ZINC000238571208 346349723 /nfs/dbraw/zinc/34/97/23/346349723.db2.gz PCAZBOQKHKAKTI-JTQLQIEISA-N 1 0 262.097 3.137 10 0 CGAERO O[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCCc2ccccc21 ZINC000250531200 346385840 /nfs/dbraw/zinc/38/58/40/346385840.db2.gz LDIAKEJCYNQBQG-GVDBMIGSSA-N 1 0 259.393 3.347 10 0 CGAERO C[NH2+]C[C@@H]1[C@@H](c2occc2Br)C1(C)C ZINC000300962765 346439228 /nfs/dbraw/zinc/43/92/28/346439228.db2.gz IKEDHZKZTFPZRT-APPZFPTMSA-N 1 0 258.159 3.001 10 0 CGAERO C[C@H]1C[C@@]2(C[N@@H+]1Cc1ccccc1)N[C@H](C)CCS2 ZINC000306149576 346451358 /nfs/dbraw/zinc/45/13/58/346451358.db2.gz AWNDXGCIXDNQCF-IJEWVQPXSA-N 1 0 276.449 3.092 10 0 CGAERO C[C@@H]([NH3+])[C@](C)(F)c1cscc1Br ZINC000307395036 346462150 /nfs/dbraw/zinc/46/21/50/346462150.db2.gz GCCZSTGIWISQBF-XRGYYRRGSA-N 1 0 252.152 3.043 10 0 CGAERO [NH3+]CC/C=C1\CCc2cc(Br)ccc21 ZINC000381641402 346559581 /nfs/dbraw/zinc/55/95/81/346559581.db2.gz MITQYKGDPFSHMO-XNWCZRBMSA-N 1 0 252.155 3.128 10 0 CGAERO O[C@H](c1ccc(Cc2ccccc2)cc1)[C@H]1CCC[NH2+]1 ZINC000085686514 179116204 /nfs/dbraw/zinc/11/62/04/179116204.db2.gz DEGVAGVLWUNLPJ-QZTJIDSGSA-N 1 0 267.372 3.063 10 0 CGAERO COc1ccc2[nH+]c(C)cc(NN3CCCCCC3)c2c1 ZINC000584637521 346701817 /nfs/dbraw/zinc/70/18/17/346701817.db2.gz WPFRCDCKQXHQHX-UHFFFAOYSA-N 1 0 285.391 3.177 10 0 CGAERO COc1ccc(C[C@@H](C[NH+](C)C)[C@H](O)c2ccccc2)cc1 ZINC000584596589 346687550 /nfs/dbraw/zinc/68/75/50/346687550.db2.gz LDLZRUBTCZDJKR-PKOBYXMFSA-N 1 0 299.414 3.149 10 0 CGAERO CCOC(=O)Nc1ccc([C@@H](C[NH3+])c2ccccc2)cc1 ZINC000584601199 346689812 /nfs/dbraw/zinc/68/98/12/346689812.db2.gz YYMNPIPDOCRTJK-INIZCTEOSA-N 1 0 284.359 3.346 10 0 CGAERO CC[NH2+]CCC1=N[C@H](c2ccc(Cl)cc2)N(CC)O1 ZINC000584614108 346693294 /nfs/dbraw/zinc/69/32/94/346693294.db2.gz PXBSMAJBPDGLAR-AWEZNQCLSA-N 1 0 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MPJZSNLYLXZNCJ-INIZCTEOSA-N 1 0 268.360 3.252 10 0 CGAERO O=C(C[C@H]1CCC[NH2+]1)Nc1c(Cl)cccc1Cl ZINC000001855811 169760254 /nfs/dbraw/zinc/76/02/54/169760254.db2.gz PWTKJEDLCFLEMM-MRVPVSSYSA-N 1 0 273.163 3.074 10 0 CGAERO CCC[C@H](C(=O)Nc1ccc(OC(C)C)c(C)c1)[NH+](C)C ZINC000119506338 287170294 /nfs/dbraw/zinc/17/02/94/287170294.db2.gz ZDOZERKRFZCPGK-OAHLLOKOSA-N 1 0 292.423 3.451 10 0 CGAERO COc1ccc([C@H](CC[NH3+])Cc2ccccc2)cc1 ZINC000002840345 169836503 /nfs/dbraw/zinc/83/65/03/169836503.db2.gz ITSDEPRFAAWLGX-MRXNPFEDSA-N 1 0 255.361 3.370 10 0 CGAERO c1ccc2c(c1)snc2OCC[NH+]1CCCCC1 ZINC000005935041 170158072 /nfs/dbraw/zinc/15/80/72/170158072.db2.gz MSIQTUORZDHNAQ-UHFFFAOYSA-N 1 0 262.378 3.161 10 0 CGAERO CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000006968165 170259589 /nfs/dbraw/zinc/25/95/89/170259589.db2.gz XZNMRYOANGZQEN-ZAOZSLGCSA-N 1 0 292.467 3.094 10 0 CGAERO C1C[NH+]=C(NC23CC4CC(CC(C4)C2)C3)SC1 ZINC000008729609 170350301 /nfs/dbraw/zinc/35/03/01/170350301.db2.gz FRRMPLPHKZYKIM-UHFFFAOYSA-N 1 0 250.411 3.038 10 0 CGAERO CCOc1cccc(C[C@@H](C[NH3+])c2cccs2)c1 ZINC000011587919 170422976 /nfs/dbraw/zinc/42/29/76/170422976.db2.gz AOVGRKBTCGSACC-ZDUSSCGKSA-N 1 0 261.390 3.432 10 0 CGAERO Cc1cccc(C)c1OCCOc1ccc(CC[NH3+])cc1 ZINC000011951804 170461589 /nfs/dbraw/zinc/46/15/89/170461589.db2.gz DWEFFEAVUWARGY-UHFFFAOYSA-N 1 0 285.387 3.262 10 0 CGAERO C[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000013807953 170595899 /nfs/dbraw/zinc/59/58/99/170595899.db2.gz WQJJASQMPMNMKY-UHFFFAOYSA-N 1 0 250.345 3.409 10 0 CGAERO COc1cc(CCCc2ccccc2)ccc1CC[NH3+] ZINC000013864184 170605831 /nfs/dbraw/zinc/60/58/31/170605831.db2.gz BUKRCGJRPKMYNL-UHFFFAOYSA-N 1 0 269.388 3.372 10 0 CGAERO CC(C)(C)c1ccc([C@@H]([NH3+])CN2CCCCCC2=O)cc1 ZINC000019399123 170784320 /nfs/dbraw/zinc/78/43/20/170784320.db2.gz DLCUVNRYPDBMJB-INIZCTEOSA-N 1 0 288.435 3.387 10 0 CGAERO C[C@@H]1CCCC[C@@H]1OCc1cc(C[NH3+])ccc1F ZINC000019407783 170787484 /nfs/dbraw/zinc/78/74/84/170787484.db2.gz CNOAGZJJZRRLRJ-ABAIWWIYSA-N 1 0 251.345 3.380 10 0 CGAERO [NH3+]CCCCCC(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000019426737 170795327 /nfs/dbraw/zinc/79/53/27/170795327.db2.gz OBIONZSXKPBHEV-UHFFFAOYSA-N 1 0 297.811 3.407 10 0 CGAERO Cc1ccccc1[C@H](C)[NH2+][C@H]1COc2cc(O)ccc21 ZINC000020126281 171010452 /nfs/dbraw/zinc/01/04/52/171010452.db2.gz VGDWUVJIXOIPSY-LRDDRELGSA-N 1 0 269.344 3.485 10 0 CGAERO C[C@@H]1C[C@H]([NH2+]CCc2nnc3ccccn32)CC(C)(C)C1 ZINC000020128256 171014760 /nfs/dbraw/zinc/01/47/60/171014760.db2.gz JDTURAOWAIKJGS-KGLIPLIRSA-N 1 0 286.423 3.076 10 0 CGAERO CC(C)[C@H](C[NH2+][C@H](C)c1cccc(F)c1)N(C)C ZINC000020145842 171030938 /nfs/dbraw/zinc/03/09/38/171030938.db2.gz GCIRYGDOOSTYHD-DOMZBBRYSA-N 1 0 252.377 3.063 10 0 CGAERO CCOc1ccc([C@@H](C)[NH2+]Cc2cccnc2)cc1F ZINC000020177214 171043077 /nfs/dbraw/zinc/04/30/77/171043077.db2.gz ISQSFSONUSHDEZ-GFCCVEGCSA-N 1 0 274.339 3.470 10 0 CGAERO [NH3+]C[C@H](c1ccccc1Cl)N1CCc2ccccc2C1 ZINC000020225890 171089915 /nfs/dbraw/zinc/08/99/15/171089915.db2.gz AARMZCLXCHVRPG-QGZVFWFLSA-N 1 0 286.806 3.398 10 0 CGAERO CCc1ccc([C@H](CN)[N@H+](C)CCc2ccccc2)cc1 ZINC000020225737 171090090 /nfs/dbraw/zinc/09/00/90/171090090.db2.gz MJVORCBLBQBNEP-IBGZPJMESA-N 1 0 282.431 3.423 10 0 CGAERO CC(C)Oc1cccc([C@@H](C[NH3+])N(C)CC(C)(C)C)c1 ZINC000020226652 171092337 /nfs/dbraw/zinc/09/23/37/171092337.db2.gz BOIKCXLGEOQVCS-MRXNPFEDSA-N 1 0 278.440 3.452 10 0 CGAERO CC(C)[NH+](CCNCc1ccc2ccccc2n1)C(C)C ZINC000020246200 171099139 /nfs/dbraw/zinc/09/91/39/171099139.db2.gz KUPUSYNAWMEHMA-UHFFFAOYSA-N 1 0 285.435 3.443 10 0 CGAERO NC(=S)c1ccc(C[NH+]2CCCCCCC2)c(F)c1 ZINC000020265924 171122655 /nfs/dbraw/zinc/12/26/55/171122655.db2.gz PUSKRRKJXSCGAW-UHFFFAOYSA-N 1 0 280.412 3.226 10 0 CGAERO C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCCCCCC1 ZINC000020266186 171122778 /nfs/dbraw/zinc/12/27/78/171122778.db2.gz RGJQRXKDLHBJKK-JYJNAYRXSA-N 1 0 250.430 3.173 10 0 CGAERO [NH3+][C@@H]1CCCCC[C@@H]1Oc1cccc2cccnc21 ZINC000020296856 171136583 /nfs/dbraw/zinc/13/65/83/171136583.db2.gz UBFWXBOMFYRAOE-KGLIPLIRSA-N 1 0 256.349 3.274 10 0 CGAERO CCCNC(=O)[C@@H](C)[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000020316378 171146977 /nfs/dbraw/zinc/14/69/77/171146977.db2.gz NILWJRCIFNWPPR-DAZFMJRUSA-N 1 0 292.467 3.096 10 0 CGAERO CCC(CC)NC(=O)[C@H](C)[NH2+]C1CCCCCCC1 ZINC000020365571 171164054 /nfs/dbraw/zinc/16/40/54/171164054.db2.gz ZEPOAIHJEJPSQJ-ZDUSSCGKSA-N 1 0 268.445 3.382 10 0 CGAERO C[C@@H]([NH3+])c1ccc(O[C@H](C)C(=O)Nc2ccccc2)cc1 ZINC000020419332 171183677 /nfs/dbraw/zinc/18/36/77/171183677.db2.gz AWUAGQMTGLRXQR-CHWSQXEVSA-N 1 0 284.359 3.112 10 0 CGAERO [NH3+][C@@H](Cc1nc2ccccc2o1)c1ccc(F)cc1 ZINC000020428055 171193152 /nfs/dbraw/zinc/19/31/52/171193152.db2.gz HTMRISKCBIBCPL-LBPRGKRZSA-N 1 0 256.280 3.209 10 0 CGAERO COc1ccc([C@@H]([NH3+])CC(F)(F)F)cc1Cl ZINC000020521922 171235543 /nfs/dbraw/zinc/23/55/43/171235543.db2.gz FKFODZBZTUANHZ-QMMMGPOBSA-N 1 0 253.651 3.301 10 0 CGAERO CCC[NH2+]CCCOc1ccc(Br)cc1F ZINC000020525463 171238158 /nfs/dbraw/zinc/23/81/58/171238158.db2.gz STYJHMJSTXBNSQ-UHFFFAOYSA-N 1 0 290.176 3.357 10 0 CGAERO CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H]2CCCO2)cc1F ZINC000020549953 171246534 /nfs/dbraw/zinc/24/65/34/171246534.db2.gz SQDKDEQGMCLEFJ-GXTWGEPZSA-N 1 0 281.371 3.443 10 0 CGAERO CCC1CCC(CN)([N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000020557461 171250466 /nfs/dbraw/zinc/25/04/66/171250466.db2.gz UORMDBUNRHXFKM-PJPHBNEVSA-N 1 0 252.446 3.262 10 0 CGAERO Nc1c[nH+]ccc1Nc1ccc(C(F)(F)F)cc1 ZINC000020585257 171258789 /nfs/dbraw/zinc/25/87/89/171258789.db2.gz DLVXMMZSQYCFEJ-UHFFFAOYSA-N 1 0 253.227 3.426 10 0 CGAERO Clc1nc2ccccc2cc1C[NH2+]C[C@H]1CCCO1 ZINC000020935440 171281524 /nfs/dbraw/zinc/28/15/24/171281524.db2.gz ZTSNBZODKNUAQP-CYBMUJFWSA-N 1 0 276.767 3.157 10 0 CGAERO Cc1cccc(-c2noc(C[C@@H]([NH3+])c3ccccc3)n2)c1 ZINC000021062286 171297369 /nfs/dbraw/zinc/29/73/69/171297369.db2.gz XHSDEDPSQPQUCP-OAHLLOKOSA-N 1 0 279.343 3.288 10 0 CGAERO CCc1ccc([C@H]([NH3+])CN2CCc3ccccc3C2)cc1 ZINC000021503742 171306903 /nfs/dbraw/zinc/30/69/03/171306903.db2.gz AUEWDBGKBUSOMR-LJQANCHMSA-N 1 0 280.415 3.307 10 0 CGAERO Cc1ccc(C)c([C@@H]([NH3+])CN2CCc3ccccc32)c1 ZINC000021814416 171331785 /nfs/dbraw/zinc/33/17/85/171331785.db2.gz VTDZOUXVMBGUTG-KRWDZBQOSA-N 1 0 266.388 3.366 10 0 CGAERO [NH3+]Cc1ccnc(Oc2cccc3ccccc32)c1 ZINC000022167648 171366626 /nfs/dbraw/zinc/36/66/26/171366626.db2.gz CZVKKSYNTUGBMP-UHFFFAOYSA-N 1 0 250.301 3.486 10 0 CGAERO CCC[NH+](CCC)[C@H](CN)c1ccc(OC(F)F)cc1 ZINC000022177133 171370890 /nfs/dbraw/zinc/37/08/90/171370890.db2.gz KWMNJFBOZIOFMP-CQSZACIVSA-N 1 0 286.366 3.410 10 0 CGAERO CCOc1ccccc1[C@H](C[NH3+])N1CCc2ccccc21 ZINC000022210394 171373157 /nfs/dbraw/zinc/37/31/57/171373157.db2.gz FDTADOIDYJGPBL-KRWDZBQOSA-N 1 0 282.387 3.148 10 0 CGAERO Cc1ccc(N)cc1NC(=O)CC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000022212549 171374059 /nfs/dbraw/zinc/37/40/59/171374059.db2.gz KJKLZMCMRBJBAE-KBPBESRZSA-N 1 0 289.423 3.169 10 0 CGAERO [NH3+][C@H](Cc1ccccc1)[C@@H](c1ccccc1)n1ccnc1 ZINC000022565198 171391751 /nfs/dbraw/zinc/39/17/51/171391751.db2.gz FNZASKVUDGTAEV-QZTJIDSGSA-N 1 0 277.371 3.043 10 0 CGAERO COc1cccc([C@H]([NH3+])COc2cc(C)ccc2C)c1 ZINC000022564887 171392123 /nfs/dbraw/zinc/39/21/23/171392123.db2.gz YLKKANQSVIEOAZ-MRXNPFEDSA-N 1 0 271.360 3.391 10 0 CGAERO COC(=O)c1cc(C[NH2+]C2CCC(C)CC2)oc1C ZINC000034981319 171914207 /nfs/dbraw/zinc/91/42/07/171914207.db2.gz QEFMYMVOVASAOE-UHFFFAOYSA-N 1 0 265.353 3.043 10 0 CGAERO COc1ccc(F)cc1[C@H]([NH3+])c1cc2c(s1)CCC2 ZINC000035381486 172164107 /nfs/dbraw/zinc/16/41/07/172164107.db2.gz UWFPMEZQOJMWRK-HNNXBMFYSA-N 1 0 277.364 3.433 10 0 CGAERO [NH3+]Cc1c(Oc2ccccc2Cl)nc2sccn21 ZINC000035430593 172199219 /nfs/dbraw/zinc/19/92/19/172199219.db2.gz ITZORYUDKNBSHS-UHFFFAOYSA-N 1 0 279.752 3.300 10 0 CGAERO C[NH2+][C@@H](c1ccc(C)s1)c1cc(OC)cc(OC)c1 ZINC000035459199 172208677 /nfs/dbraw/zinc/20/86/77/172208677.db2.gz YESKOBXUOACGJR-OAHLLOKOSA-N 1 0 277.389 3.383 10 0 CGAERO C[NH2+][C@@H](c1ccc(Br)cc1)c1cccnc1 ZINC000035462544 172210542 /nfs/dbraw/zinc/21/05/42/172210542.db2.gz UWZJLIRDHNVQNY-ZDUSSCGKSA-N 1 0 277.165 3.153 10 0 CGAERO C[NH2+][C@H](c1ccc(C)cc1)c1cncc(Br)c1 ZINC000035466140 172213600 /nfs/dbraw/zinc/21/36/00/172213600.db2.gz LEFMVNCRGSXWJP-CQSZACIVSA-N 1 0 291.192 3.461 10 0 CGAERO C[NH2+][C@@H](c1ccc(OC)cc1C)c1ccccc1F ZINC000035468474 172217259 /nfs/dbraw/zinc/21/72/59/172217259.db2.gz SUYKWYJHDSGMHV-INIZCTEOSA-N 1 0 259.324 3.452 10 0 CGAERO CCCCC[C@@H]([NH2+]C)c1ccc2c(c1)CCC(=O)N2 ZINC000035490436 172224524 /nfs/dbraw/zinc/22/45/24/172224524.db2.gz LBZZMZLZOSWJJF-CQSZACIVSA-N 1 0 260.381 3.412 10 0 CGAERO C[NH2+][C@@H](c1occc1C)c1ccc2c(c1)C[C@H](C)O2 ZINC000035504409 172238418 /nfs/dbraw/zinc/23/84/18/172238418.db2.gz MYXCAPRCJNQVNE-XHDPSFHLSA-N 1 0 257.333 3.220 10 0 CGAERO CC[NH2+][C@H](CC(F)(F)F)c1ccc(OC)cc1OC ZINC000035546141 172254001 /nfs/dbraw/zinc/25/40/01/172254001.db2.gz PRNXBEOTJAHPQA-LLVKDONJSA-N 1 0 277.286 3.307 10 0 CGAERO CC[NH2+][C@@H](CC(F)(F)F)c1cc(F)ccc1OC ZINC000035554779 172261084 /nfs/dbraw/zinc/26/10/84/172261084.db2.gz ANFQVTRNDHVCSE-JTQLQIEISA-N 1 0 265.250 3.437 10 0 CGAERO CCC[NH2+][C@@H](c1ccc(OC)c(OC)c1)[C@@H]1C[C@@H]1C ZINC000035574638 172271411 /nfs/dbraw/zinc/27/14/11/172271411.db2.gz BAIQRYDGQZILEU-GHJWDPDVSA-N 1 0 263.381 3.401 10 0 CGAERO C[NH2+][C@H](C)c1cccc(NC(=O)OCC(C)C)c1 ZINC000035645503 172323024 /nfs/dbraw/zinc/32/30/24/172323024.db2.gz IVNBCEDUTWGGJD-LLVKDONJSA-N 1 0 250.342 3.172 10 0 CGAERO CCC[NH2+]Cc1ccccc1N(C)Cc1ccco1 ZINC000035716368 172370287 /nfs/dbraw/zinc/37/02/87/172370287.db2.gz UMPJWUKMUBOXFC-UHFFFAOYSA-N 1 0 258.365 3.416 10 0 CGAERO C[N@H+](Cc1cccs1)Cc1cccc(C(N)=S)c1 ZINC000035717529 172371222 /nfs/dbraw/zinc/37/12/22/172371222.db2.gz PPYWAEHGTOASKI-UHFFFAOYSA-N 1 0 276.430 3.014 10 0 CGAERO CN(Cc1ccsc1)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000035718930 172373337 /nfs/dbraw/zinc/37/33/37/172373337.db2.gz QBQNMCNLECWARE-AWEZNQCLSA-N 1 0 264.369 3.019 10 0 CGAERO C[NH2+]Cc1cc(F)ccc1N(C)Cc1ccsc1 ZINC000035719586 172373883 /nfs/dbraw/zinc/37/38/83/172373883.db2.gz XXEJBXSYOYRKBC-UHFFFAOYSA-N 1 0 264.369 3.243 10 0 CGAERO [NH3+]Cc1ccc(Oc2ccc(F)cc2Br)nc1 ZINC000035719792 172374208 /nfs/dbraw/zinc/37/42/08/172374208.db2.gz GOAKURPZCXIWRS-UHFFFAOYSA-N 1 0 297.127 3.234 10 0 CGAERO CC[C@@H](CC[NH3+])Sc1ccc(C(F)(F)F)cn1 ZINC000035723684 172378498 /nfs/dbraw/zinc/37/84/98/172378498.db2.gz LEFQBZRFJQTEQX-VIFPVBQESA-N 1 0 264.316 3.320 10 0 CGAERO Brc1cccc(C2CC([NH2+]C3CC3)C2)c1 ZINC000036840659 172746090 /nfs/dbraw/zinc/74/60/90/172746090.db2.gz WOOUMGXXPSWPRK-UHFFFAOYSA-N 1 0 266.182 3.447 10 0 CGAERO CC[NH+](CC)Cc1ccccc1NC1CCOCC1 ZINC000037090881 172946395 /nfs/dbraw/zinc/94/63/95/172946395.db2.gz QVMPZPYGEFLSCR-UHFFFAOYSA-N 1 0 262.397 3.119 10 0 CGAERO O[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)C1 ZINC000037165027 172999612 /nfs/dbraw/zinc/99/96/12/172999612.db2.gz VGTNOQRHLDKSBC-OLZOCXBDSA-N 1 0 273.298 3.099 10 0 CGAERO CSc1ccc(C[NH2+][C@H](CC(C)C)CN(C)C)cc1 ZINC000037166579 173000700 /nfs/dbraw/zinc/00/07/00/173000700.db2.gz FEPKCEXBODMCQB-OAHLLOKOSA-N 1 0 280.481 3.474 10 0 CGAERO [NH3+]C[C@H](Oc1cccc(Cl)c1Cl)C(F)(F)F ZINC000037170095 173004801 /nfs/dbraw/zinc/00/48/01/173004801.db2.gz HAKIAFQNOGTGFF-ZETCQYMHSA-N 1 0 274.069 3.262 10 0 CGAERO C[C@@H](Nc1ccc2c(c1)CCC2)[C@H]1CCC[N@H+](C)C1 ZINC000037209625 173031447 /nfs/dbraw/zinc/03/14/47/173031447.db2.gz INXDAAPWBTUOHL-CJNGLKHVSA-N 1 0 258.409 3.318 10 0 CGAERO COc1cc(C)ccc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000037242737 173058595 /nfs/dbraw/zinc/05/85/95/173058595.db2.gz MPJSALHDLSPDMU-YDHLFZDLSA-N 1 0 263.381 3.222 10 0 CGAERO COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)c(F)c1 ZINC000037242541 173059104 /nfs/dbraw/zinc/05/91/04/173059104.db2.gz XHENFCAOKNGDRQ-PGUXBMHVSA-N 1 0 267.344 3.052 10 0 CGAERO CCCC[C@H](CC)C(=O)N(CCC[NH3+])C1CCCC1 ZINC000037299087 173103504 /nfs/dbraw/zinc/10/35/04/173103504.db2.gz PTOPZDSTNPLXQR-AWEZNQCLSA-N 1 0 268.445 3.323 10 0 CGAERO [NH3+][C@H]1CCOc2ccc(OCc3ccccc3)cc21 ZINC000037337226 173138454 /nfs/dbraw/zinc/13/84/54/173138454.db2.gz QEDVPBUBRXMUDU-HNNXBMFYSA-N 1 0 255.317 3.048 10 0 CGAERO Cc1cccc([C@H]([NH3+])c2ccc3c(c2)CCCC(=O)N3)c1 ZINC000037371271 173160112 /nfs/dbraw/zinc/16/01/12/173160112.db2.gz HXWCDETZYCMQRA-SFHVURJKSA-N 1 0 280.371 3.318 10 0 CGAERO CC[C@@H]([NH3+])c1nc2cc(Br)ccc2n1CC ZINC000037441462 173210929 /nfs/dbraw/zinc/21/09/29/173210929.db2.gz RPNBCYZVOCWIAK-SECBINFHSA-N 1 0 282.185 3.229 10 0 CGAERO CC[NH2+][C@@H](CC)Cc1cccc(Br)c1 ZINC000037468624 173227616 /nfs/dbraw/zinc/22/76/16/173227616.db2.gz KASGBRUMODWMGV-LBPRGKRZSA-N 1 0 256.187 3.380 10 0 CGAERO CC[C@@H]([NH3+])Cc1ccc(OC)c(OC2CCCC2)c1 ZINC000037728289 173647810 /nfs/dbraw/zinc/64/78/10/173647810.db2.gz CTRFGEVTGQGCHI-CYBMUJFWSA-N 1 0 263.381 3.296 10 0 CGAERO C[NH2+][C@H](C)[C@@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000037949271 173889561 /nfs/dbraw/zinc/88/95/61/173889561.db2.gz KVZYLPKLESEJQE-VHSXEESVSA-N 1 0 261.287 3.372 10 0 CGAERO COc1ccc([C@@H]([NH3+])[C@@H](C)OCc2ccccc2)cc1 ZINC000037981092 173940948 /nfs/dbraw/zinc/94/09/48/173940948.db2.gz JYYRRQDHDHQKLG-DYVFJYSZSA-N 1 0 271.360 3.300 10 0 CGAERO [NH3+]CCN(Cc1ccccc1)c1ncc(Cl)cc1Cl ZINC000038033148 174030630 /nfs/dbraw/zinc/03/06/30/174030630.db2.gz ZHJIMXXCWNEKBO-UHFFFAOYSA-N 1 0 296.201 3.354 10 0 CGAERO c1ccc(Cc2ccccc2NC2CC[NH2+]CC2)cc1 ZINC000038040551 174041414 /nfs/dbraw/zinc/04/14/14/174041414.db2.gz LZQGFJMNRLGTSV-UHFFFAOYSA-N 1 0 266.388 3.441 10 0 CGAERO CC[NH2+][C@@H](c1ccoc1)c1ccc2c(c1)CCCO2 ZINC000038058091 174069020 /nfs/dbraw/zinc/06/90/20/174069020.db2.gz YPHOPDXGMPLSKK-MRXNPFEDSA-N 1 0 257.333 3.304 10 0 CGAERO C[C@H](CN[C@@H](CC(F)(F)F)c1ccccc1)[NH+](C)C ZINC000038087496 174099459 /nfs/dbraw/zinc/09/94/59/174099459.db2.gz LQRORXQUWVZBMY-YPMHNXCESA-N 1 0 274.330 3.220 10 0 CGAERO c1ccc2c(c1)CSC[C@H]2[NH2+]CC[C@H]1CCCO1 ZINC000038096444 174110008 /nfs/dbraw/zinc/11/00/08/174110008.db2.gz BBECEEAIIVCWJB-UKRRQHHQSA-N 1 0 263.406 3.133 10 0 CGAERO COc1ccc(Br)cc1-c1nc(C[NH3+])cs1 ZINC000040414605 174255658 /nfs/dbraw/zinc/25/56/58/174255658.db2.gz PYERXMFRSAPWCH-UHFFFAOYSA-N 1 0 299.193 3.040 10 0 CGAERO [NH3+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000040419378 174256664 /nfs/dbraw/zinc/25/66/64/174256664.db2.gz VJXVOHWHYAIJMB-UHFFFAOYSA-N 1 0 269.167 3.031 10 0 CGAERO CCC[NH2+]Cc1cnc(-c2ccc(OC)c(OC)c2)s1 ZINC000040996692 174446937 /nfs/dbraw/zinc/44/69/37/174446937.db2.gz YVXPAPQGCQKFPG-UHFFFAOYSA-N 1 0 292.404 3.327 10 0 CGAERO CC[C@H](C)[C@H](C)[NH2+]Cc1c(C)nc2sccn12 ZINC000042553809 174791512 /nfs/dbraw/zinc/79/15/12/174791512.db2.gz GSYVFHYJYADIGJ-UWVGGRQHSA-N 1 0 251.399 3.228 10 0 CGAERO COc1ccc([C@@H](CN)[N@H+](CC(C)C)C(C)C)cc1 ZINC000042579067 174804126 /nfs/dbraw/zinc/80/41/26/174804126.db2.gz FATGQRSLJAKONE-MRXNPFEDSA-N 1 0 264.413 3.061 10 0 CGAERO COc1ccccc1[C@@H](OC1CCCCC1)[C@@H](C)[NH3+] ZINC000043098896 174967214 /nfs/dbraw/zinc/96/72/14/174967214.db2.gz NJXMBYKPAQODES-WBMJQRKESA-N 1 0 263.381 3.433 10 0 CGAERO COc1ccccc1C[C@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000043647596 175085126 /nfs/dbraw/zinc/08/51/26/175085126.db2.gz SMPHAAUXVZKRKL-RHSMWYFYSA-N 1 0 253.345 3.110 10 0 CGAERO [NH3+][C@H]1CCC[C@H]1Cc1sccc1Br ZINC000043676286 175088290 /nfs/dbraw/zinc/08/82/90/175088290.db2.gz KBYLGARPXDYSDM-CBAPKCEASA-N 1 0 260.200 3.181 10 0 CGAERO CCCOc1ccc([C@@H](O)C[NH+]2CCCCCC2)cc1 ZINC000044118244 175142170 /nfs/dbraw/zinc/14/21/70/175142170.db2.gz OGKBOEQZOFSPQD-KRWDZBQOSA-N 1 0 277.408 3.385 10 0 CGAERO CCOc1ccccc1[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000044120911 175142890 /nfs/dbraw/zinc/14/28/90/175142890.db2.gz WIRSDLBLFNFDAX-INIZCTEOSA-N 1 0 277.408 3.383 10 0 CGAERO CCOc1ccc([C@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000044121703 175143265 /nfs/dbraw/zinc/14/32/65/175143265.db2.gz YIUZBTZEXISHHP-GRDNDAEWSA-N 1 0 277.408 3.382 10 0 CGAERO CCC[NH2+][C@H]1CCCc2cc(OCCOC)ccc21 ZINC000044745768 175242019 /nfs/dbraw/zinc/24/20/19/175242019.db2.gz NQPKQVPPVDIGAI-INIZCTEOSA-N 1 0 263.381 3.089 10 0 CGAERO C[C@H](CC[NH+](C)C)n1c(=S)[nH]c2cccc(Cl)c21 ZINC000049559055 175488071 /nfs/dbraw/zinc/48/80/71/175488071.db2.gz LKCOQIGJTOZRTF-SECBINFHSA-N 1 0 283.828 3.491 10 0 CGAERO Cc1cccc(OCC[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000128546468 287313466 /nfs/dbraw/zinc/31/34/66/287313466.db2.gz BEQCWRNNDUZTKP-AEFFLSMTSA-N 1 0 289.419 3.001 10 0 CGAERO COc1ccc(-c2sc(C[C@@H](C)[NH3+])nc2C)cc1 ZINC000071170051 176050550 /nfs/dbraw/zinc/05/05/50/176050550.db2.gz FAHPMFLRQOMHID-SECBINFHSA-N 1 0 262.378 3.017 10 0 CGAERO CC1CCC(CNC2=[NH+]C[C@@H](C3CC3)S2)CC1 ZINC000071308175 176116207 /nfs/dbraw/zinc/11/62/07/176116207.db2.gz IINWUZVKUBCVCR-XIVSLSHWSA-N 1 0 252.427 3.284 10 0 CGAERO CC[C@@H](c1ccc(Br)cc1)N(C)[C@@H]1CC[NH2+]C1 ZINC000071309411 176116936 /nfs/dbraw/zinc/11/69/36/176116936.db2.gz MEOSRQKFCWWEEB-KGLIPLIRSA-N 1 0 297.240 3.194 10 0 CGAERO CC[C@@H]1C[N@H+](Cc2ccccc2C)[C@H](C(C)C)CN1 ZINC000071343693 176130954 /nfs/dbraw/zinc/13/09/54/176130954.db2.gz LZUZMAXCMZVCHM-SJORKVTESA-N 1 0 260.425 3.203 10 0 CGAERO O=C(c1ccc(C(F)(F)F)cc1)[C@H]1CCCC[NH2+]1 ZINC000071577891 176206622 /nfs/dbraw/zinc/20/66/22/176206622.db2.gz XVLYYXLEKCPAEV-LLVKDONJSA-N 1 0 257.255 3.030 10 0 CGAERO Brc1ccc(C2=CCC[NH2+]CC2)s1 ZINC000071583703 176208379 /nfs/dbraw/zinc/20/83/79/176208379.db2.gz IXIFVYSBNQQWPA-UHFFFAOYSA-N 1 0 258.184 3.277 10 0 CGAERO CC[NH2+][C@H](C)C(=O)c1ccc(OC)c(C(C)(C)C)c1 ZINC000071595561 176218664 /nfs/dbraw/zinc/21/86/64/176218664.db2.gz HDYFVBAVYZDHHH-LLVKDONJSA-N 1 0 263.381 3.173 10 0 CGAERO COc1ccccc1CC[C@H](C[NH3+])c1ccccc1 ZINC000076660187 177048138 /nfs/dbraw/zinc/04/81/38/177048138.db2.gz BOVGCRWZFIDTRM-MRXNPFEDSA-N 1 0 255.361 3.370 10 0 CGAERO COc1cccc(CC[C@@H](C[NH3+])c2ccccc2)c1 ZINC000076660190 177048239 /nfs/dbraw/zinc/04/82/39/177048239.db2.gz GOJIKIHVRFKXEE-INIZCTEOSA-N 1 0 255.361 3.370 10 0 CGAERO [NH3+]CC[C@@H](CCc1ccc(F)cc1)c1cccnc1 ZINC000076666303 177050832 /nfs/dbraw/zinc/05/08/32/177050832.db2.gz HTDRKMPJYADPHS-CQSZACIVSA-N 1 0 258.340 3.286 10 0 CGAERO [NH3+]CC[C@@H](CCc1cccc(F)c1)c1ccncc1 ZINC000076666318 177050917 /nfs/dbraw/zinc/05/09/17/177050917.db2.gz RAFVAMKJEJFZGA-CQSZACIVSA-N 1 0 258.340 3.286 10 0 CGAERO CC(C)c1ccc(OC[C@@H](C[NH3+])c2cc[nH]c2)cc1 ZINC000076667662 177051560 /nfs/dbraw/zinc/05/15/60/177051560.db2.gz NSFFLZGRDNMYIN-OAHLLOKOSA-N 1 0 258.365 3.259 10 0 CGAERO COc1cc(C)c([C@@H](CC[NH3+])C2CCC2)cc1OC ZINC000076678601 177057001 /nfs/dbraw/zinc/05/70/01/177057001.db2.gz NJJYAYKKSJXQOA-ZDUSSCGKSA-N 1 0 263.381 3.245 10 0 CGAERO C[C@@H](CCC[NH3+])C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000076719135 177069432 /nfs/dbraw/zinc/06/94/32/177069432.db2.gz SRIQLYLBZCCZKL-VIFPVBQESA-N 1 0 274.286 3.019 10 0 CGAERO C[C@@H](C[NH3+])CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000076719163 177069638 /nfs/dbraw/zinc/06/96/38/177069638.db2.gz IFUIXPROOKMNSU-SECBINFHSA-N 1 0 274.286 3.019 10 0 CGAERO CC[NH2+][C@H](C)c1csc(-c2cccc(OC)c2)n1 ZINC000076784522 177091866 /nfs/dbraw/zinc/09/18/66/177091866.db2.gz RRNDHVVVMTWCGS-SNVBAGLBSA-N 1 0 262.378 3.489 10 0 CGAERO C[C@H](CC[NH3+])C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000076852867 177121001 /nfs/dbraw/zinc/12/10/01/177121001.db2.gz UTHNIQOYHRHTLX-SSDOTTSWSA-N 1 0 294.704 3.282 10 0 CGAERO CCc1cccc(C)c1NC(=O)C[NH2+][C@H](C)C(C)C ZINC000078282678 177330499 /nfs/dbraw/zinc/33/04/99/177330499.db2.gz DKWYYCGSQHOBKD-CYBMUJFWSA-N 1 0 262.397 3.130 10 0 CGAERO Cc1cc(C(C)C)nc(Oc2ccc(C[NH3+])cc2)n1 ZINC000122648266 416505809 /nfs/dbraw/zinc/50/58/09/416505809.db2.gz ULPLLHHBTKEQLO-UHFFFAOYSA-N 1 0 257.337 3.159 10 0 CGAERO CC(C)[C@H]1CCC[C@](C[NH3+])(C(=O)OC(C)(C)C)C1 ZINC000725245571 544112295 /nfs/dbraw/zinc/11/22/95/544112295.db2.gz WAVMMCNQONZORV-WFASDCNBSA-N 1 0 255.402 3.119 10 0 CGAERO Cn1cc(C(F)F)c(-c2cc(C[NH+](C)C)ccc2F)n1 ZINC000725270435 544114606 /nfs/dbraw/zinc/11/46/06/544114606.db2.gz MXPTYDXETXHOJZ-UHFFFAOYSA-N 1 0 283.297 3.225 10 0 CGAERO C[C@@H]([NH2+]C1CC(CO)C1)c1cc(Cl)sc1Cl ZINC000658350886 418946746 /nfs/dbraw/zinc/94/67/46/418946746.db2.gz HUBFRRHDRHMNMR-JECWYVHBSA-N 1 0 280.220 3.476 10 0 CGAERO OCC1CC([NH2+][C@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000658355026 418948346 /nfs/dbraw/zinc/94/83/46/418948346.db2.gz FVHZXGVTBSLWOM-XWFMALBVSA-N 1 0 265.784 3.152 10 0 CGAERO CCc1c2ccccc2oc1[C@@H](C)[NH2+]C1CC(CO)C1 ZINC000658354638 418948358 /nfs/dbraw/zinc/94/83/58/418948358.db2.gz DKRGQRHYQKRGMR-PNESKVBLSA-N 1 0 273.376 3.417 10 0 CGAERO Cc1ncc(C[NH2+][C@@H](C)c2cccc(Cl)c2)n1C ZINC000657287712 419243101 /nfs/dbraw/zinc/24/31/01/419243101.db2.gz STRZUWXNFLLCHV-JTQLQIEISA-N 1 0 263.772 3.233 10 0 CGAERO CC(C)C[C@H](C[NH+](C)C)NCc1ccc(F)c(F)c1F ZINC000657346874 419256643 /nfs/dbraw/zinc/25/66/43/419256643.db2.gz OZNDEQJOFHFWTC-GFCCVEGCSA-N 1 0 288.357 3.170 10 0 CGAERO CC(C)n1ccnc1C[NH2+][C@@H](C)COCc1ccccc1 ZINC000657379544 419265324 /nfs/dbraw/zinc/26/53/24/419265324.db2.gz ZRJPYTXPHTXSMO-HNNXBMFYSA-N 1 0 287.407 3.159 10 0 CGAERO C[C@@H]([NH2+][C@@H](C)c1cnccn1)c1cccc(-n2ccnc2)c1 ZINC000151686244 287519755 /nfs/dbraw/zinc/51/97/55/287519755.db2.gz LDVQPIPMDXEGEK-KGLIPLIRSA-N 1 0 293.374 3.074 10 0 CGAERO Cc1c[nH]c(C[NH2+][C@@H]2CC[C@@H](C)c3ccccc32)n1 ZINC000657415604 419273445 /nfs/dbraw/zinc/27/34/45/419273445.db2.gz MIZBFXZHAYBSJJ-IAQYHMDHSA-N 1 0 255.365 3.446 10 0 CGAERO Cc1ccc2[nH+]ccc(N3CCC([C@H](C)O)CC3)c2c1 ZINC000185687747 287552616 /nfs/dbraw/zinc/55/26/16/287552616.db2.gz YYRMIDNWSAQWRF-ZDUSSCGKSA-N 1 0 270.376 3.140 10 0 CGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@H]1CCCCC1(F)F ZINC000390863411 262355660 /nfs/dbraw/zinc/35/56/60/262355660.db2.gz CIRCDUWFRDOGBJ-KFWWJZLASA-N 1 0 286.410 3.371 10 0 CGAERO CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2O)C1 ZINC000230771333 287640883 /nfs/dbraw/zinc/64/08/83/287640883.db2.gz XWCJGFCWMXEHAK-JONQDZQNSA-N 1 0 253.430 3.484 10 0 CGAERO CCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000035018786 270027410 /nfs/dbraw/zinc/02/74/10/270027410.db2.gz XYHNYQLUJUIBCS-KGLIPLIRSA-N 1 0 276.424 3.375 10 0 CGAERO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000042337309 270032479 /nfs/dbraw/zinc/03/24/79/270032479.db2.gz NNUVVDRXJOJFSX-SOUVJXGZSA-N 1 0 276.424 3.339 10 0 CGAERO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000042337304 270032600 /nfs/dbraw/zinc/03/26/00/270032600.db2.gz QFCZGSQXEBTJBS-UONOGXRCSA-N 1 0 276.424 3.339 10 0 CGAERO CC1(C)C[N@@H+](C2CCCC2)CCN1C1CCCC1 ZINC000180596274 270053750 /nfs/dbraw/zinc/05/37/50/270053750.db2.gz YUWZOKGGMIZLHB-UHFFFAOYSA-N 1 0 250.430 3.268 10 0 CGAERO Cc1cncc([C@H](C)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000184420807 270058610 /nfs/dbraw/zinc/05/86/10/270058610.db2.gz DHYGYXGWHMFPRG-DOTOQJQBSA-N 1 0 275.440 3.161 10 0 CGAERO CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CC[C@@H](C)O2)cc1 ZINC000190566919 270073470 /nfs/dbraw/zinc/07/34/70/270073470.db2.gz CDUKSHNYVLQJPS-CZUORRHYSA-N 1 0 290.407 3.034 10 0 CGAERO CCn1c(C)nnc1C[NH2+][C@H]1CCC[C@H]1CCC(C)C ZINC000191877102 270076694 /nfs/dbraw/zinc/07/66/94/270076694.db2.gz SAHZURHVKBUOBD-GJZGRUSLSA-N 1 0 278.444 3.301 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+]C/C=C\c1ccccc1 ZINC000220549146 270086006 /nfs/dbraw/zinc/08/60/06/270086006.db2.gz WQRJFHDOHKWYDU-SDMNGIDPSA-N 1 0 260.425 3.266 10 0 CGAERO COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2C[C@H]2C)cc1OC ZINC000321971018 270093386 /nfs/dbraw/zinc/09/33/86/270093386.db2.gz ZYJHTJHONFEKHA-GFQSEFKGSA-N 1 0 263.381 3.399 10 0 CGAERO C[C@@H]1CC(C[NH2+]Cc2ccc3cc[nH]c3c2)C[C@@H](C)O1 ZINC000527701763 270132669 /nfs/dbraw/zinc/13/26/69/270132669.db2.gz AFAPWBSCJJQLRN-CHWSQXEVSA-N 1 0 272.392 3.461 10 0 CGAERO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1C[C@H]1C)CC3 ZINC000123205326 274120949 /nfs/dbraw/zinc/12/09/49/274120949.db2.gz CKMXWYAFCAZNMN-AGKHESDQSA-N 1 0 270.376 3.032 10 0 CGAERO [NH3+][C@@H]1C[C@@H](N[C@H]2CCc3ccccc32)c2ccccc21 ZINC000252777897 274960154 /nfs/dbraw/zinc/96/01/54/274960154.db2.gz LBDMDGKXCJDUEP-FGTMMUONSA-N 1 0 264.372 3.408 10 0 CGAERO CC(C)c1nnc(C[N@@H+]2CCC[C@H]2C2CCCC2)n1C ZINC000195101527 276074005 /nfs/dbraw/zinc/07/40/05/276074005.db2.gz NAGDGRWKKRERQQ-AWEZNQCLSA-N 1 0 276.428 3.093 10 0 CGAERO C[N@@H+]1CCC[C@@H]1CCN1CCCC[C@H]1c1nccs1 ZINC000245625767 277060209 /nfs/dbraw/zinc/06/02/09/277060209.db2.gz OXTSGZZUCSTCFC-KGLIPLIRSA-N 1 0 279.453 3.154 10 0 CGAERO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2ccnc3ccsc32)C1 ZINC000248663719 277156171 /nfs/dbraw/zinc/15/61/71/277156171.db2.gz KDIZCHXJSLGPDB-GXTWGEPZSA-N 1 0 287.432 3.217 10 0 CGAERO CC(C)[NH2+][C@@H]1CCOC[C@@H]1Cc1ccc(Cl)cc1 ZINC000095088433 277666111 /nfs/dbraw/zinc/66/61/11/277666111.db2.gz KQERKYLJKBAIDS-DZGCQCFKSA-N 1 0 267.800 3.286 10 0 CGAERO C[C@@H]1Cc2ccccc2N(C(=O)C[C@H]2CCCC[C@H]2[NH3+])C1 ZINC000261762065 278040160 /nfs/dbraw/zinc/04/01/60/278040160.db2.gz VCVZNIBYTANUPW-IIAWOOMASA-N 1 0 286.419 3.119 10 0 CGAERO C[C@@H]1NCCC[C@@H]1[NH2+][C@H]1CCCCC12CCCC2 ZINC000396662443 288015055 /nfs/dbraw/zinc/01/50/55/288015055.db2.gz OHVHFVVOQFCKGV-KKUMJFAQSA-N 1 0 250.430 3.220 10 0 CGAERO C[C@@H]1NCCC[C@H]1[NH2+][C@@H]1CCCCC12CCCC2 ZINC000396662446 288015101 /nfs/dbraw/zinc/01/51/01/288015101.db2.gz OHVHFVVOQFCKGV-RRFJBIMHSA-N 1 0 250.430 3.220 10 0 CGAERO C[C@H](N[C@@H]1CCC[NH2+][C@H]1C)c1ccc(Cl)s1 ZINC000396708578 288015772 /nfs/dbraw/zinc/01/57/72/288015772.db2.gz KXHPBTZKMDGSFX-LPEHRKFASA-N 1 0 258.818 3.193 10 0 CGAERO CC1(C)CCCC[C@@H]1CC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000335053939 278203093 /nfs/dbraw/zinc/20/30/93/278203093.db2.gz UAHHNXRUEHVBDZ-KGLIPLIRSA-N 1 0 280.456 3.179 10 0 CGAERO C[C@H](N[C@@H](C)[C@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000400362522 278268471 /nfs/dbraw/zinc/26/84/71/278268471.db2.gz QKTIBAGCYUHIPH-COPLHBTASA-N 1 0 297.240 3.240 10 0 CGAERO C[C@@H]([NH2+][C@@H](C)C1CCCCC1)c1nnc2n1CCCC2 ZINC000177386960 278362361 /nfs/dbraw/zinc/36/23/61/278362361.db2.gz WCSRVCIUTYLCSI-QWHCGFSZSA-N 1 0 276.428 3.234 10 0 CGAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])[C@@H](c2ccccc2)CC1 ZINC000095943583 278404911 /nfs/dbraw/zinc/40/49/11/278404911.db2.gz GZWHYSSQCWEGCN-HUUCEWRRSA-N 1 0 290.407 3.128 10 0 CGAERO CC(C)[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[C@H](C)[NH3+] ZINC000399708083 288053659 /nfs/dbraw/zinc/05/36/59/288053659.db2.gz FDOKECAVVWTLGP-MJVIPROJSA-N 1 0 282.815 3.137 10 0 CGAERO CCN1CCC[C@@H]([NH2+][C@H]2CCCOc3ccc(C)cc32)C1 ZINC000247146946 279295474 /nfs/dbraw/zinc/29/54/74/279295474.db2.gz SQTUTUYAOJPLSB-WBVHZDCISA-N 1 0 288.435 3.283 10 0 CGAERO [NH3+]CCCCCCC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000037042585 279625560 /nfs/dbraw/zinc/62/55/60/279625560.db2.gz VNSQTXNBPVNCKU-NEPJUHHUSA-N 1 0 294.361 3.133 10 0 CGAERO Cc1cc(C)c(NC(=O)c2ccc(C[NH3+])cc2)c(C)c1 ZINC000019264678 280394147 /nfs/dbraw/zinc/39/41/47/280394147.db2.gz OJKSUJNIABFRST-UHFFFAOYSA-N 1 0 268.360 3.323 10 0 CGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+]C1[C@@H](C)CCC[C@@H]1C)CC2 ZINC000180645677 280675404 /nfs/dbraw/zinc/67/54/04/280675404.db2.gz RQTRSZKFAQMVRE-MELADBBJSA-N 1 0 290.455 3.131 10 0 CGAERO Cc1cnc([C@@H](C)[NH2+][C@@H]2CCc3ccccc3C2)o1 ZINC000220891795 281635155 /nfs/dbraw/zinc/63/51/55/281635155.db2.gz XLYLVNJNOCPMPI-IUODEOHRSA-N 1 0 256.349 3.191 10 0 CGAERO CN(C)C(=[NH2+])SC[C@@H]1CCC2(CCCCC2)O1 ZINC000191699357 288929938 /nfs/dbraw/zinc/92/99/38/288929938.db2.gz GLSWDJVOJPQKHP-NSHDSACASA-N 1 0 256.415 3.098 10 0 CGAERO [NH3+]CC1(CC(=O)N2C[C@H]3CCCCC[C@H]32)CCCCC1 ZINC000364080827 295222588 /nfs/dbraw/zinc/22/25/88/295222588.db2.gz CGHRRZNEZYTYAY-HUUCEWRRSA-N 1 0 278.440 3.077 10 0 CGAERO COc1ccccc1C[C@H]([NH2+][C@@H](C)CCCO)C(C)C ZINC000168304099 295365970 /nfs/dbraw/zinc/36/59/70/295365970.db2.gz YRNNYZLUGANOEU-HOCLYGCPSA-N 1 0 279.424 3.013 10 0 CGAERO C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000226440475 297631448 /nfs/dbraw/zinc/63/14/48/297631448.db2.gz XUOCOIMFIMRIFJ-GAIPPQHRSA-N 1 0 269.435 3.441 10 0 CGAERO c1ccc([C@@H]2C[C@@H]2[NH2+][C@@H]2CCCC23CCOCC3)cc1 ZINC000291186179 304855881 /nfs/dbraw/zinc/85/58/81/304855881.db2.gz ORHRGZXXSYFHSD-YESZJQIVSA-N 1 0 271.404 3.481 10 0 CGAERO CCC[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccccn1 ZINC000159202247 321830474 /nfs/dbraw/zinc/83/04/74/321830474.db2.gz JJYWEDVQFLLOEY-DZKIICNBSA-N 1 0 262.397 3.064 10 0 CGAERO C[C@@H]1C[C@@H](C[NH2+]C2C3CC4CC(C3)CC2C4)CCO1 ZINC000389090868 328616529 /nfs/dbraw/zinc/61/65/29/328616529.db2.gz JSOSIZRROXXOKW-ZPMDGPBUSA-N 1 0 263.425 3.216 10 0 CGAERO CCn1c(C)nnc1C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000170986496 321918757 /nfs/dbraw/zinc/91/87/57/321918757.db2.gz AEURTHBLQIPTJN-KGLIPLIRSA-N 1 0 278.444 3.301 10 0 CGAERO CCOc1cc(N[C@H](C)[C@@H]2CCC[NH2+]C2)ccc1C ZINC000568856537 322225159 /nfs/dbraw/zinc/22/51/59/322225159.db2.gz SXAKFNGTVHAYTJ-ZIAGYGMSSA-N 1 0 262.397 3.194 10 0 CGAERO Cc1ccc([C@@H]([NH2+][C@@H]2CCCC[C@H]2O)C2CC2)cc1 ZINC000570645491 322278818 /nfs/dbraw/zinc/27/88/18/322278818.db2.gz HEBXUOOWGRHDRC-BRWVUGGUSA-N 1 0 259.393 3.339 10 0 CGAERO C[C@H]1C[C@H]([NH3+])c2c1c(F)ccc2C(=O)OC(C)(C)C ZINC000536958931 330383901 /nfs/dbraw/zinc/38/39/01/330383901.db2.gz IECFEFNLCCCWJW-KWQFWETISA-N 1 0 265.328 3.288 10 0 CGAERO CCC1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000174143055 335149125 /nfs/dbraw/zinc/14/91/25/335149125.db2.gz CWACYCOUVUMTTA-LMPOIIKSSA-N 1 0 295.471 3.079 10 0 CGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cccc(C)c2Cl)C1 ZINC000174922231 335169449 /nfs/dbraw/zinc/16/94/49/335169449.db2.gz PGVHVEOIQXOAAP-GFCCVEGCSA-N 1 0 295.814 3.254 10 0 CGAERO CC(C)C[C@@H]1C[NH2+][C@H](C)CN1Cc1ccccc1F ZINC000062662044 519274300 /nfs/dbraw/zinc/27/43/00/519274300.db2.gz CFYNCRUVIOGBRU-UKRRQHHQSA-N 1 0 264.388 3.034 10 0 CGAERO CC(C)[NH2+]C[C@H](C(C)C)N(C)Cc1ccsc1 ZINC000052457029 519724193 /nfs/dbraw/zinc/72/41/93/519724193.db2.gz JRWFJJVXSJTMEG-CQSZACIVSA-N 1 0 254.443 3.203 10 0 CGAERO CC(C)C[NH2+]CCC[C@H](C)n1ccc(C(F)(F)F)n1 ZINC000052592610 519743656 /nfs/dbraw/zinc/74/36/56/519743656.db2.gz QHRPVIIMFQNWID-NSHDSACASA-N 1 0 277.334 3.489 10 0 CGAERO CCC[NH2+]CCCCCOc1ccc(OC)cc1 ZINC000052676825 519912016 /nfs/dbraw/zinc/91/20/16/519912016.db2.gz ZLXBCOKSFSEBDC-UHFFFAOYSA-N 1 0 251.370 3.244 10 0 CGAERO CCC[NH2+][C@@H]1CCC[C@H]1CCOCC(F)(F)F ZINC000049311562 520022028 /nfs/dbraw/zinc/02/20/28/520022028.db2.gz PICXWIDJEFOLHL-WDEREUQCSA-N 1 0 253.308 3.124 10 0 CGAERO CC[NH2+][C@@H]1CCN([C@@H](C)c2ccc(Cl)cc2)C1 ZINC000049526054 520118506 /nfs/dbraw/zinc/11/85/06/520118506.db2.gz SJOOSOQEYOUIFC-SMDDNHRTSA-N 1 0 252.789 3.085 10 0 CGAERO CC[NH2+][C@H](CC)c1nnc(-c2ccc(C)c(C)c2)o1 ZINC000061512916 520185669 /nfs/dbraw/zinc/18/56/69/520185669.db2.gz AZFCEEBWDGXNHB-CYBMUJFWSA-N 1 0 259.353 3.414 10 0 CGAERO CCC[C@@H](C)C[N@@H+]1CCCN(Cc2csc(C)n2)CC1 ZINC000183450507 500668614 /nfs/dbraw/zinc/66/86/14/500668614.db2.gz CJXMSVLMSUJOEK-CQSZACIVSA-N 1 0 295.496 3.395 10 0 CGAERO CCC[C@@H]1CC[C@@H](C[NH3+])[C@H](Sc2nnc(C)o2)C1 ZINC000051038332 520829931 /nfs/dbraw/zinc/82/99/31/520829931.db2.gz MSRQZUYFJMWVCZ-GRYCIOLGSA-N 1 0 269.414 3.014 10 0 CGAERO CCCC[C@H](C)NC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000050891145 521145902 /nfs/dbraw/zinc/14/59/02/521145902.db2.gz BUIDAZPMOXHJNC-RYUDHWBXSA-N 1 0 263.385 3.407 10 0 CGAERO C[NH2+]C[C@@H](OC1CCCCC1)c1ccccc1F ZINC000050487286 522036280 /nfs/dbraw/zinc/03/62/80/522036280.db2.gz BACPTVLXTGFGPW-OAHLLOKOSA-N 1 0 251.345 3.436 10 0 CGAERO CC(C)[C@@H]1CCC(=O)[C@H](C[N@H+](C)Cc2ccco2)C1 ZINC000054558999 519801836 /nfs/dbraw/zinc/80/18/36/519801836.db2.gz XJEITSNHDSCECV-KGLIPLIRSA-N 1 0 263.381 3.353 10 0 CGAERO CC(C)[C@H]1C[N@H+](C2CCCCC2)[C@@H](C(C)C)CN1 ZINC000062624640 519826686 /nfs/dbraw/zinc/82/66/86/519826686.db2.gz FAHRBYHAKGCARK-HZPDHXFCSA-N 1 0 252.446 3.274 10 0 CGAERO CCC1CCN([C@@H](C)C[NH2+]Cc2cccs2)CC1 ZINC000053498151 519859619 /nfs/dbraw/zinc/85/96/19/519859619.db2.gz KWKYSPBPDQEVSB-ZDUSSCGKSA-N 1 0 266.454 3.348 10 0 CGAERO CCCC1CCC(C[NH3+])(OCC(F)(F)F)CC1 ZINC000050502137 519895581 /nfs/dbraw/zinc/89/55/81/519895581.db2.gz WIIYBNVCBXAKBS-UHFFFAOYSA-N 1 0 253.308 3.253 10 0 CGAERO CC[NH2+]C1CCN([C@H](C)c2ccc(C)s2)CC1 ZINC000049183935 519909145 /nfs/dbraw/zinc/90/91/45/519909145.db2.gz SHGIPEQIXUDFLS-GFCCVEGCSA-N 1 0 252.427 3.191 10 0 CGAERO CC[NH2+]CC1(Cc2ccc(Cl)s2)CCOCC1 ZINC000061674118 519914064 /nfs/dbraw/zinc/91/40/64/519914064.db2.gz KCQDGAJKYQKAKQ-UHFFFAOYSA-N 1 0 273.829 3.350 10 0 CGAERO CC[NH2+]CCNc1ccccc1Cc1ccccc1 ZINC000051040691 519923871 /nfs/dbraw/zinc/92/38/71/519923871.db2.gz PUERZKSOLSPRMP-UHFFFAOYSA-N 1 0 254.377 3.299 10 0 CGAERO CCC[NH2+]C[C@H](OCCCOC)c1ccc(C)cc1 ZINC000050486394 519933596 /nfs/dbraw/zinc/93/35/96/519933596.db2.gz KUJGTUXWMUZFHF-INIZCTEOSA-N 1 0 265.397 3.089 10 0 CGAERO CC[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2C)C1 ZINC000053012009 519951347 /nfs/dbraw/zinc/95/13/47/519951347.db2.gz AHPBOTOZHVBBMP-LBPRGKRZSA-N 1 0 297.240 3.193 10 0 CGAERO CC[NH2+]C[C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000053010681 519977208 /nfs/dbraw/zinc/97/72/08/519977208.db2.gz DSBXLUAXAJUWCC-SNVBAGLBSA-N 1 0 273.207 3.429 10 0 CGAERO CC[NH2+]C[C@H]1C[C@H]1c1ccccc1Br ZINC000054590718 519981874 /nfs/dbraw/zinc/98/18/74/519981874.db2.gz YKPZJMKFMUGZAE-MWLCHTKSSA-N 1 0 254.171 3.162 10 0 CGAERO CCC[NH2+][C@@H](C)COc1ccc(OCCC)cc1 ZINC000044070188 519986259 /nfs/dbraw/zinc/98/62/59/519986259.db2.gz HMQZPAPOTQHBBX-ZDUSSCGKSA-N 1 0 251.370 3.242 10 0 CGAERO CCC[NH2+][C@@H]1CCCC[C@H]1N1CCC(C)(C)CC1 ZINC000061819880 520020146 /nfs/dbraw/zinc/02/01/46/520020146.db2.gz RWMYRGBJTSJXJQ-HUUCEWRRSA-N 1 0 252.446 3.419 10 0 CGAERO CC[NH2+][C@@H](C)c1cccc(NC(=O)NC2CCC2)c1 ZINC000052214356 520078561 /nfs/dbraw/zinc/07/85/61/520078561.db2.gz KMHNPTMKAGDEJX-NSHDSACASA-N 1 0 261.369 3.031 10 0 CGAERO CCC[NH2+][C@H](Cc1nc(C)cs1)CC1CCOCC1 ZINC000055269479 520088269 /nfs/dbraw/zinc/08/82/69/520088269.db2.gz HIBSVXJXDZEKJM-AWEZNQCLSA-N 1 0 282.453 3.179 10 0 CGAERO CCC[NH2+][C@H]1CCCCC[C@@H]1CN(C)CC(F)(F)F ZINC000053869089 520093133 /nfs/dbraw/zinc/09/31/33/520093133.db2.gz BLZCRJKDQKDZBJ-OLZOCXBDSA-N 1 0 280.378 3.429 10 0 CGAERO CC[NH2+][C@@H](c1cc(Cl)sc1Cl)[C@H]1COCCO1 ZINC000055300251 520107758 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/nfs/dbraw/zinc/21/26/40/520212640.db2.gz CECLWHXIRWTHPH-HOCLYGCPSA-N 1 0 257.381 3.412 10 0 CGAERO CCNc1nc(C[N@H+](C)[C@@H](C)CC)nc2sccc21 ZINC000050813022 520356273 /nfs/dbraw/zinc/35/62/73/520356273.db2.gz GTBCPWYLZXSQSQ-JTQLQIEISA-N 1 0 278.425 3.353 10 0 CGAERO CCCC[N@@H+]1CC(C)(C)NC[C@H]1Cc1ccccc1 ZINC000062657473 520567257 /nfs/dbraw/zinc/56/72/57/520567257.db2.gz CACLOJOFGKVYIJ-MRXNPFEDSA-N 1 0 260.425 3.082 10 0 CGAERO CCCCOCCOCc1ccc(C[NH2+]CCC)o1 ZINC000052628929 520790635 /nfs/dbraw/zinc/79/06/35/520790635.db2.gz CKPYKDBTHIKBCQ-UHFFFAOYSA-N 1 0 269.385 3.113 10 0 CGAERO CCCCOc1ccc(C(=O)N[C@H](C[NH3+])CCCC)cc1 ZINC000150235132 520871388 /nfs/dbraw/zinc/87/13/88/520871388.db2.gz QXGSEBNGMPDGRQ-HNNXBMFYSA-N 1 0 292.423 3.113 10 0 CGAERO CCOC(=O)C[C@H](C)[NH2+][C@@H](CC)C1CCCCC1 ZINC000052338420 520882010 /nfs/dbraw/zinc/88/20/10/520882010.db2.gz VPRZKJSBLLMECH-JSGCOSHPSA-N 1 0 255.402 3.277 10 0 CGAERO CC1CC[NH+](CC(C)(C)[C@H](O)c2ccccc2)CC1 ZINC000063019595 520999296 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C[C@H](c1cccc(Cl)c1)N(C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054308339 345132544 /nfs/dbraw/zinc/13/25/44/345132544.db2.gz JTTZUJYJJZJPSO-CHWSQXEVSA-N 1 0 294.826 3.249 10 0 CGAERO [NH3+][C@H](Cc1ccccc1)[C@@H](O)c1cccc2ccccc21 ZINC000054686264 345138129 /nfs/dbraw/zinc/13/81/29/345138129.db2.gz BLAYHGKTCJOSFP-MOPGFXCFSA-N 1 0 277.367 3.443 10 0 CGAERO C[NH2+][C@@H](C)C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000055421625 345148188 /nfs/dbraw/zinc/14/81/88/345148188.db2.gz GYQUOLWAWZDEPS-LBPRGKRZSA-N 1 0 270.332 3.025 10 0 CGAERO CC(C)c1ccc([C@H](C)[NH2+]CC(=O)NCC2CCC2)cc1 ZINC000066472870 345296892 /nfs/dbraw/zinc/29/68/92/345296892.db2.gz DMLHEEBQZQFFNI-AWEZNQCLSA-N 1 0 288.435 3.377 10 0 CGAERO C[C@H]1CN(C(c2ccccc2)c2ccccc2)C[C@H](C)[NH2+]1 ZINC000070075536 345388763 /nfs/dbraw/zinc/38/87/63/345388763.db2.gz MRPMOZREZHZBGN-HOTGVXAUSA-N 1 0 280.415 3.458 10 0 CGAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)CCO1 ZINC000070354250 345390313 /nfs/dbraw/zinc/39/03/13/345390313.db2.gz VKMIDHCCJYTCJB-NOOOWODRSA-N 1 0 265.319 3.265 10 0 CGAERO C[NH2+][C@H]1CC[C@H](Cc2ccc(Br)s2)C1 ZINC000070744290 345394752 /nfs/dbraw/zinc/39/47/52/345394752.db2.gz MAQANFBXIGZVPQ-IUCAKERBSA-N 1 0 274.227 3.441 10 0 CGAERO Cc1cnn(CC[NH2+]C2CC(c3ccccc3C)C2)c1 ZINC000127446602 187306339 /nfs/dbraw/zinc/30/63/39/187306339.db2.gz BBJRVTCQPIFQJT-UHFFFAOYSA-N 1 0 269.392 3.036 10 0 CGAERO CC1(C)Cc2cccc(C[NH2+]CC[C@@H]3CCCO3)c2O1 ZINC000078005875 345588884 /nfs/dbraw/zinc/58/88/84/345588884.db2.gz SONOZGQYCPNJIU-HNNXBMFYSA-N 1 0 275.392 3.059 10 0 CGAERO CC(C)(C)N1CC[C@H]([NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000102072328 345914284 /nfs/dbraw/zinc/91/42/84/345914284.db2.gz OXUQCZJNJPLSAY-QWHCGFSZSA-N 1 0 270.779 3.352 10 0 CGAERO Cc1cccc(C)c1C(=O)N[C@@H]1CCC[C@@H]1[NH+]1CCCC1 ZINC000113793972 345961942 /nfs/dbraw/zinc/96/19/42/345961942.db2.gz WGTJMAQEXNNFPC-CVEARBPZSA-N 1 0 286.419 3.050 10 0 CGAERO C[C@@]1(c2ccc(N)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000117723824 345985945 /nfs/dbraw/zinc/98/59/45/345985945.db2.gz OHGKCVFHWDGLGG-GOSISDBHSA-N 1 0 266.388 3.432 10 0 CGAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCCCC(C)(C)C ZINC000126582777 346025338 /nfs/dbraw/zinc/02/53/38/346025338.db2.gz WBSVMKUZOFDENN-INIZCTEOSA-N 1 0 290.451 3.102 10 0 CGAERO CSCCCC[NH2+]Cc1ccnc2ccccc12 ZINC000134866184 346084906 /nfs/dbraw/zinc/08/49/06/346084906.db2.gz DDSLAEDAISPXSC-UHFFFAOYSA-N 1 0 260.406 3.468 10 0 CGAERO CCC[C@@H](CC1([NH3+])CCCC1)C(=O)OC(C)(C)C ZINC000136502446 346091975 /nfs/dbraw/zinc/09/19/75/346091975.db2.gz XAZKVKMMCPFHOI-LBPRGKRZSA-N 1 0 255.402 3.406 10 0 CGAERO C[NH+](C)CC[C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000136982862 346092693 /nfs/dbraw/zinc/09/26/93/346092693.db2.gz MCBVPSXIUFWIOS-HNNXBMFYSA-N 1 0 258.340 3.304 10 0 CGAERO C[NH2+]C[C@H]1Cc2cccc(-c3cccc(C)c3)c2O1 ZINC000137467681 346093892 /nfs/dbraw/zinc/09/38/92/346093892.db2.gz LEWBMWBQNFOMRE-OAHLLOKOSA-N 1 0 253.345 3.185 10 0 CGAERO CC(C)=C[C@H]([NH3+])c1ccc(I)cc1 ZINC000131003003 346062400 /nfs/dbraw/zinc/06/24/00/346062400.db2.gz BTSXWXVCYDVDCF-NSHDSACASA-N 1 0 287.144 3.257 10 0 CGAERO C[N@H+]1Cc2ccccc2[C@H](c2ccc3ncncc3c2)C1 ZINC000149998948 346132365 /nfs/dbraw/zinc/13/23/65/346132365.db2.gz LIJKOAGATWSTTB-KRWDZBQOSA-N 1 0 275.355 3.207 10 0 CGAERO C[C@H]1CCN[C@]2(CCC[N@H+](Cc3ccccc3)C2)S1 ZINC000159173832 346167241 /nfs/dbraw/zinc/16/72/41/346167241.db2.gz LROKDMHBHNJSQO-GOEBONIOSA-N 1 0 276.449 3.094 10 0 CGAERO Cc1cccc2c(N[C@H]3C[N@H+](C(C)C)C[C@@H]3C)ncnc12 ZINC000177952695 232378351 /nfs/dbraw/zinc/37/83/51/232378351.db2.gz UDMNNGORRPYLEE-ZFWWWQNUSA-N 1 0 284.407 3.079 10 0 CGAERO Cc1ccc([C@H]2C[NH2+][C@@H](C)C2)cc1Br ZINC000165042222 346183218 /nfs/dbraw/zinc/18/32/18/346183218.db2.gz LIHUVBREPMMRGT-GXSJLCMTSA-N 1 0 254.171 3.223 10 0 CGAERO C[C@@]1(c2ccccc2)CCN2CC[NH2+]Cc3cccc1c32 ZINC000210470041 346285335 /nfs/dbraw/zinc/28/53/35/346285335.db2.gz HLTUJLABXMGNHD-IBGZPJMESA-N 1 0 278.399 3.306 10 0 CGAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000219322032 346294688 /nfs/dbraw/zinc/29/46/88/346294688.db2.gz QIRIQQGQNSXUCF-OLZOCXBDSA-N 1 0 296.798 3.349 10 0 CGAERO CCCc1nc2ccc(Br)cc2n1C ZINC000223456671 346300807 /nfs/dbraw/zinc/30/08/07/346300807.db2.gz DDJWBMYYGCDROL-UHFFFAOYSA-N 1 0 253.143 3.288 10 0 CGAERO CC[C@@H]1[C@H]([NH3+])C[C@@H]1c1ccc(Br)s1 ZINC000225055116 346303141 /nfs/dbraw/zinc/30/31/41/346303141.db2.gz LJRZAIGKTCHMQP-BIIVOSGPSA-N 1 0 260.200 3.351 10 0 CGAERO C[C@@H]([NH3+])C[C@H](C)Nc1ncc(Br)cc1Cl ZINC000235158497 346334297 /nfs/dbraw/zinc/33/42/97/346334297.db2.gz CSYDPPHOEVQDGH-RQJHMYQMSA-N 1 0 292.608 3.035 10 0 CGAERO C[C@@H]1C[C@@H](c2cc(Br)cs2)[C@@H](C)[NH2+]1 ZINC000227094485 346308244 /nfs/dbraw/zinc/30/82/44/346308244.db2.gz DHFHXEZFWFTEAH-ZXFLCMHBSA-N 1 0 260.200 3.365 10 0 CGAERO C[C@@H]1C[C@H](c2cc(Br)cs2)[C@@H](C)[NH2+]1 ZINC000227094466 346308426 /nfs/dbraw/zinc/30/84/26/346308426.db2.gz DHFHXEZFWFTEAH-BHNWBGBOSA-N 1 0 260.200 3.365 10 0 CGAERO Cc1sc([C@@H]2[NH2+]CCS2)cc1Br ZINC000227943188 346311679 /nfs/dbraw/zinc/31/16/79/346311679.db2.gz WSDWYYPLFUJLQK-MRVPVSSYSA-N 1 0 264.213 3.154 10 0 CGAERO C/C(=C\c1cc(Br)ccc1F)[C@H](C)[NH3+] ZINC000231753569 346323813 /nfs/dbraw/zinc/32/38/13/346323813.db2.gz MCZVVCGKSQDNSU-IVGLGHLBSA-N 1 0 258.134 3.339 10 0 CGAERO C[C@]1(Cc2ccc(Br)cc2)[NH2+]CCS1 ZINC000235745707 346337196 /nfs/dbraw/zinc/33/71/96/346337196.db2.gz FYAJWMXAXICQLU-NSHDSACASA-N 1 0 272.211 3.044 10 0 CGAERO C[NH2+][C@@H](c1cccc(C)c1Br)C1CC1 ZINC000300355457 346436743 /nfs/dbraw/zinc/43/67/43/346436743.db2.gz ISAOSLBOGWYVRZ-GFCCVEGCSA-N 1 0 254.171 3.428 10 0 CGAERO Brc1coc(C[NH2+][C@@H]2CCCSC2)c1 ZINC000306169886 346451060 /nfs/dbraw/zinc/45/10/60/346451060.db2.gz KFYVAYIFMDULDZ-SECBINFHSA-N 1 0 276.199 3.027 10 0 CGAERO CC(C)(C[NH3+])[C@H](O)c1cc(Cl)sc1Cl ZINC000306152652 346451341 /nfs/dbraw/zinc/45/13/41/346451341.db2.gz AKTMGFKKZVMVID-SSDOTTSWSA-N 1 0 254.182 3.073 10 0 CGAERO CC[C@@H]([NH2+]C)c1sccc1I ZINC000306369324 346453849 /nfs/dbraw/zinc/45/38/49/346453849.db2.gz JADGUMBDPLBWMD-SSDOTTSWSA-N 1 0 281.162 3.023 10 0 CGAERO C[N@H+](Cc1cc(Br)no1)C1CCCCC1 ZINC000306908228 346458929 /nfs/dbraw/zinc/45/89/29/346458929.db2.gz DZKROCJOISETMY-UHFFFAOYSA-N 1 0 273.174 3.202 10 0 CGAERO CCC(C)(C)C1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000400386472 346589486 /nfs/dbraw/zinc/58/94/86/346589486.db2.gz KIBHMGKJWHQMJX-UHFFFAOYSA-N 1 0 261.413 3.377 10 0 CGAERO FC(F)(F)C1CCC([NH2+]Cc2ccns2)CC1 ZINC000404420430 346599265 /nfs/dbraw/zinc/59/92/65/346599265.db2.gz RQQGONBGUCSPLC-UHFFFAOYSA-N 1 0 264.316 3.354 10 0 CGAERO COc1ccc([C@H](O)[C@@H]2CCCC[C@H]2[NH+]2CCCC2)cc1 ZINC000584596110 346687541 /nfs/dbraw/zinc/68/75/41/346687541.db2.gz NVVVIDYRUUTGEA-KURKYZTESA-N 1 0 289.419 3.383 10 0 CGAERO CC[NH2+]CCC1=N[C@@H](c2ccc(Cl)cc2)N(CC)O1 ZINC000584614109 346693010 /nfs/dbraw/zinc/69/30/10/346693010.db2.gz PXBSMAJBPDGLAR-CQSZACIVSA-N 1 0 281.787 3.004 10 0 CGAERO Cc1nc(Cl)c2cc(CC[NH+]3CCCC3)[nH]c2c1C ZINC000584620095 346694979 /nfs/dbraw/zinc/69/49/79/346694979.db2.gz MRZXMMVODFNVOH-UHFFFAOYSA-N 1 0 277.799 3.471 10 0 CGAERO CCC[C@H](C(=O)Nc1ccc(COC(C)C)cc1)[NH+](C)C ZINC000119157910 370649952 /nfs/dbraw/zinc/64/99/52/370649952.db2.gz PLPWZBYHJOYKFG-MRXNPFEDSA-N 1 0 292.423 3.280 10 0 CGAERO CCCOc1cccc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000128492617 187374583 /nfs/dbraw/zinc/37/45/83/187374583.db2.gz IOYGMRCMKWUFRU-INIZCTEOSA-N 1 0 299.418 3.198 10 0 CGAERO CC(C)[C@H](C)[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000614963178 348703339 /nfs/dbraw/zinc/70/33/39/348703339.db2.gz NNBLBTRNXFOTMP-LBPRGKRZSA-N 1 0 255.402 3.085 10 0 CGAERO CCCCCS[C@H](C[NH3+])C(F)(F)C(F)(F)F ZINC000616569410 348833731 /nfs/dbraw/zinc/83/37/31/348833731.db2.gz KGAZZSADYSAAPQ-SSDOTTSWSA-N 1 0 265.291 3.435 10 0 CGAERO CC[C@@H](C)S[C@@H](C[NH3+])C(F)(F)C(F)(F)F ZINC000616569860 348833750 /nfs/dbraw/zinc/83/37/50/348833750.db2.gz OAZLXBVYXIWHJN-RITPCOANSA-N 1 0 251.264 3.043 10 0 CGAERO [NH3+]CCN1c2ccccc2NC[C@H]1c1cccc(Cl)c1 ZINC000616587141 348836958 /nfs/dbraw/zinc/83/69/58/348836958.db2.gz ZYUVJRLOOCFDDU-INIZCTEOSA-N 1 0 287.794 3.272 10 0 CGAERO CCOC(=O)c1cccc([C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000616588904 348837896 /nfs/dbraw/zinc/83/78/96/348837896.db2.gz UJASNARZCLKLHP-KRWDZBQOSA-N 1 0 281.355 3.098 10 0 CGAERO C[NH+](C)[C@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21 ZINC000616590566 348837998 /nfs/dbraw/zinc/83/79/98/348837998.db2.gz XZJDDDJJIHBLGX-ZDUSSCGKSA-N 1 0 276.380 3.435 10 0 CGAERO COc1cccc([C@@H]2CCOCC[N@@H+]2C(C)(C)C)c1 ZINC000616598369 348839845 /nfs/dbraw/zinc/83/98/45/348839845.db2.gz PUJXBIBESGZQCE-HNNXBMFYSA-N 1 0 263.381 3.257 10 0 CGAERO CC(C)[N@@H+]1CCCOC[C@@H]1c1cccc2ccncc21 ZINC000616600036 348840973 /nfs/dbraw/zinc/84/09/73/348840973.db2.gz YREJBDTZCVAQJJ-QGZVFWFLSA-N 1 0 270.376 3.407 10 0 CGAERO Nc1ccc([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)cn1 ZINC000616609609 348844468 /nfs/dbraw/zinc/84/44/68/348844468.db2.gz DTGDLVIFQQGUJT-MRXNPFEDSA-N 1 0 281.403 3.264 10 0 CGAERO OCC[N@@H+]1CCCCC[C@@H]1c1cccc(Cl)c1 ZINC000616623558 348849988 /nfs/dbraw/zinc/84/99/88/348849988.db2.gz MRLVYZPKUSYUQI-CQSZACIVSA-N 1 0 253.773 3.249 10 0 CGAERO [NH3+]CCN1CCCCC[C@H]1c1ccc2ncccc2c1 ZINC000616625097 348850176 /nfs/dbraw/zinc/85/01/76/348850176.db2.gz LBPMIHKSYHYYGF-KRWDZBQOSA-N 1 0 269.392 3.111 10 0 CGAERO [NH3+]CCN1CCCCC[C@H]1c1cncc2ccccc21 ZINC000616629738 348852291 /nfs/dbraw/zinc/85/22/91/348852291.db2.gz LYPOBQQPPNRZTD-KRWDZBQOSA-N 1 0 269.392 3.111 10 0 CGAERO CC(C)(C)[N@@H+]1CCCO[C@H](c2cnnc3ccccc32)C1 ZINC000616650147 348856664 /nfs/dbraw/zinc/85/66/64/348856664.db2.gz VHBFLTNIUZWFRB-INIZCTEOSA-N 1 0 285.391 3.192 10 0 CGAERO CNc1cccc([C@H]2CCOCC[N@@H+]2C(C)(C)C)c1 ZINC000616655359 348857791 /nfs/dbraw/zinc/85/77/91/348857791.db2.gz CMVAXMCILRMVIJ-OAHLLOKOSA-N 1 0 262.397 3.290 10 0 CGAERO COc1cccc([C@@H]2c3ccccc3CC[N@H+]2C)c1 ZINC000616678727 348864474 /nfs/dbraw/zinc/86/44/74/348864474.db2.gz DXSRFOOUYRGRFS-QGZVFWFLSA-N 1 0 253.345 3.273 10 0 CGAERO CC[N@@H+]1CCc2ccccc2[C@H]1c1ccccc1CO ZINC000616679184 348864632 /nfs/dbraw/zinc/86/46/32/348864632.db2.gz LUVUENDFPZNXOT-SFHVURJKSA-N 1 0 267.372 3.146 10 0 CGAERO C[C@@H](CCn1cccn1)[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000328635492 201982638 /nfs/dbraw/zinc/98/26/38/201982638.db2.gz UWBQNFWDPHOOGM-CGTJXYLNSA-N 1 0 299.418 3.029 10 0 CGAERO Cc1cnc(Sc2ccc(C[C@@H](C)[NH3+])c(C)c2)nc1 ZINC000104433361 186000555 /nfs/dbraw/zinc/00/05/55/186000555.db2.gz WRCKGICELHZLAI-GFCCVEGCSA-N 1 0 273.405 3.134 10 0 CGAERO COCCCS[C@H](c1ccc(C)cc1)[C@H](C)[NH3+] ZINC000104443047 186003878 /nfs/dbraw/zinc/00/38/78/186003878.db2.gz WTUYCEIENBXANE-JSGCOSHPSA-N 1 0 253.411 3.153 10 0 CGAERO [NH3+][C@H]1CCCCCN(c2ncc(Cl)cc2Cl)C1 ZINC000630548633 350852290 /nfs/dbraw/zinc/85/22/90/350852290.db2.gz HMABZZVQCYWBNE-JTQLQIEISA-N 1 0 274.195 3.096 10 0 CGAERO Cc1ccc(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000631127346 350963522 /nfs/dbraw/zinc/96/35/22/350963522.db2.gz PCIJMFRMFWUZCZ-STQMWFEESA-N 1 0 265.372 3.427 10 0 CGAERO CCC(O)(CC)C[NH2+][C@@H](C)c1c(F)cccc1OC ZINC000121909012 187004129 /nfs/dbraw/zinc/00/41/29/187004129.db2.gz GKCAJJRXUFABPO-NSHDSACASA-N 1 0 269.360 3.036 10 0 CGAERO COc1ccccc1C[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000122802420 187052915 /nfs/dbraw/zinc/05/29/15/187052915.db2.gz IOVHFSHVHZGFQI-INIZCTEOSA-N 1 0 299.418 3.383 10 0 CGAERO COc1ccc2oc(C[NH2+][C@H](C)[C@@H]3CCCO3)cc2c1 ZINC000123198841 187076730 /nfs/dbraw/zinc/07/67/30/187076730.db2.gz NTXOCTOTEUMOII-ABAIWWIYSA-N 1 0 275.348 3.099 10 0 CGAERO Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000368609329 234326375 /nfs/dbraw/zinc/32/63/75/234326375.db2.gz XKUQGIMPONUPNT-NGFQHRJXSA-N 1 0 271.360 3.284 10 0 CGAERO OCCC[C@H]1CCC[N@@H+]1CCSc1ccccc1F ZINC000052762897 137917701 /nfs/dbraw/zinc/91/77/01/137917701.db2.gz OZSAPUIUSGSKQD-CYBMUJFWSA-N 1 0 283.412 3.155 10 0 CGAERO CCC[C@H](C(=O)Nc1nc(-c2ccco2)cs1)[NH+](C)C ZINC000156893765 188286744 /nfs/dbraw/zinc/28/67/44/188286744.db2.gz YPENEOYAQFACKY-LLVKDONJSA-N 1 0 293.392 3.072 10 0 CGAERO CC(C)[C@@H]1C[NH2+][C@H](C)CN1c1ccc(Cl)c(F)c1 ZINC000083518275 535264334 /nfs/dbraw/zinc/26/43/34/535264334.db2.gz QVCFNPKMRVWKOD-YGRLFVJLSA-N 1 0 270.779 3.302 10 0 CGAERO O[C@@H](C[N@@H+]1CCC[C@@H]1c1ccco1)c1c(F)cccc1F ZINC000116293656 138365723 /nfs/dbraw/zinc/36/57/23/138365723.db2.gz FURRBAHLEFBIPA-KGLIPLIRSA-N 1 0 293.313 3.428 10 0 CGAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1cccc(Cl)c1F ZINC000125156523 138380249 /nfs/dbraw/zinc/38/02/49/138380249.db2.gz AYPFZZJCDDAXKB-GWCFXTLKSA-N 1 0 271.763 3.120 10 0 CGAERO Cc1ccccc1C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128395203 138393340 /nfs/dbraw/zinc/39/33/40/138393340.db2.gz VADYRVIYBZKJNM-IAGOWNOFSA-N 1 0 259.393 3.122 10 0 CGAERO Cc1ccccc1C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128395477 138393390 /nfs/dbraw/zinc/39/33/90/138393390.db2.gz VADYRVIYBZKJNM-SJORKVTESA-N 1 0 259.393 3.122 10 0 CGAERO C[C@H](C(=O)Nc1cccc(F)c1)[C@H]([NH3+])c1ccccc1 ZINC000130059592 138398929 /nfs/dbraw/zinc/39/89/29/138398929.db2.gz FVPDFUFVDKRYPO-NHYWBVRUSA-N 1 0 272.323 3.100 10 0 CGAERO c1ccc2c(c1)C=C(C[NH2+][C@@H]1CCC[C@@H]3OCC[C@H]31)CO2 ZINC000246027240 138529115 /nfs/dbraw/zinc/52/91/15/138529115.db2.gz OYEHESZFHHOYQP-JZXOWHBKSA-N 1 0 285.387 3.010 10 0 CGAERO C[C@H](COCc1ccccc1)[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000297689307 200261976 /nfs/dbraw/zinc/26/19/76/200261976.db2.gz LVEXVKORJQENCF-YCPHGPKFSA-N 1 0 285.391 3.084 10 0 CGAERO CCc1ccc([C@H]2CCCCN2Cc2cncn2C)o1 ZINC000177128254 189030822 /nfs/dbraw/zinc/03/08/22/189030822.db2.gz PXIWGEIWGDOYRA-OAHLLOKOSA-N 1 0 273.380 3.303 10 0 CGAERO COc1cc(C[NH2+][C@H]2COc3ccccc32)ccc1C ZINC000177987701 189083911 /nfs/dbraw/zinc/08/39/11/189083911.db2.gz ZJLNWJAEOGUPKC-HNNXBMFYSA-N 1 0 269.344 3.227 10 0 CGAERO CC(C)CC[N@@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000178900387 189153402 /nfs/dbraw/zinc/15/34/02/189153402.db2.gz FGHKZZIUGSJWQB-SWLSCSKDSA-N 1 0 269.335 3.119 10 0 CGAERO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1cccc2c1OC(C)(C)C2 ZINC000080510010 296023868 /nfs/dbraw/zinc/02/38/68/296023868.db2.gz RWACXXOURBXMGC-CJNGLKHVSA-N 1 0 288.435 3.102 10 0 CGAERO COCc1cccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000179227962 189179522 /nfs/dbraw/zinc/17/95/22/189179522.db2.gz CZISACDYOZXMDJ-GOSISDBHSA-N 1 0 299.418 3.003 10 0 CGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000180133018 189238678 /nfs/dbraw/zinc/23/86/78/189238678.db2.gz JNKKJDMKAAYSDR-MRXNPFEDSA-N 1 0 294.402 3.337 10 0 CGAERO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccccc2)CCS1 ZINC000180041809 189234305 /nfs/dbraw/zinc/23/43/05/189234305.db2.gz PHZSGTVZASTVQC-ZDUSSCGKSA-N 1 0 287.432 3.024 10 0 CGAERO C[C@H](CC[NH2+][C@H](C)c1cccnc1)NC(=O)OC(C)(C)C ZINC000180517264 189260092 /nfs/dbraw/zinc/26/00/92/189260092.db2.gz RHHQAEPYOOANSA-CHWSQXEVSA-N 1 0 293.411 3.036 10 0 CGAERO CSC[C@@](C)(O)CNc1cc[nH+]c2c(C)cccc12 ZINC000301640200 201109336 /nfs/dbraw/zinc/10/93/36/201109336.db2.gz BDMVQXBJAYAGLL-HNNXBMFYSA-N 1 0 276.405 3.069 10 0 CGAERO Cc1cccc2c(NCCCO[C@H]3CCOC3)cc[nH+]c12 ZINC000301658587 201121031 /nfs/dbraw/zinc/12/10/31/201121031.db2.gz INYVWRRAUOWEHB-AWEZNQCLSA-N 1 0 286.375 3.151 10 0 CGAERO C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1ccc(F)c(Cl)c1 ZINC000120465115 370769716 /nfs/dbraw/zinc/76/97/16/370769716.db2.gz UJFPLEIGEKPEKV-RVBZMBCESA-N 1 0 257.736 3.307 10 0 CGAERO CC(C)C[C@H](C)NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000120789022 370800511 /nfs/dbraw/zinc/80/05/11/370800511.db2.gz STASQAAWNHNJPO-HOCLYGCPSA-N 1 0 291.439 3.023 10 0 CGAERO C[C@@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1cccc(CO)c1 ZINC000121065281 370826802 /nfs/dbraw/zinc/82/68/02/370826802.db2.gz LUHDVCXTBQIPQD-DNVCBOLYSA-N 1 0 298.430 3.132 10 0 CGAERO Cc1ccc([C@H]([NH3+])Cn2cnc3ccccc32)cc1C ZINC000011849789 368596820 /nfs/dbraw/zinc/59/68/20/368596820.db2.gz XKSWEWHGXZYHEQ-OAHLLOKOSA-N 1 0 265.360 3.353 10 0 CGAERO CCOc1ccc(C[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000011600072 368591993 /nfs/dbraw/zinc/59/19/93/368591993.db2.gz QFCBEKMSJOKFEV-INIZCTEOSA-N 1 0 255.361 3.198 10 0 CGAERO CCC[NH+](CCC)[C@@H]1Cc2cccc3c2N(CC3)C1 ZINC000013452259 368652892 /nfs/dbraw/zinc/65/28/92/368652892.db2.gz OYKUWKSHMUIVMA-MRXNPFEDSA-N 1 0 258.409 3.096 10 0 CGAERO C[C@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1ccncc1 ZINC000020129343 368804882 /nfs/dbraw/zinc/80/48/82/368804882.db2.gz XQGFQRGQBVQTCD-WMLDXEAASA-N 1 0 269.392 3.035 10 0 CGAERO C[C@@H](c1ccc(Oc2ccccc2)cc1)N1CC[NH2+]CC1 ZINC000024870657 368837730 /nfs/dbraw/zinc/83/77/30/368837730.db2.gz HFBPTQGTTMQGOL-HNNXBMFYSA-N 1 0 282.387 3.445 10 0 CGAERO C[N@@H+]1CCCc2ccccc2Cc2cc(O)ccc2CC1 ZINC000028711648 368889040 /nfs/dbraw/zinc/88/90/40/368889040.db2.gz WHCKEFZLQQCXGO-UHFFFAOYSA-N 1 0 281.399 3.404 10 0 CGAERO c1[nH]nc2cccc(C3C[NH+](CCc4ccccc4)C3)c12 ZINC000034639453 368976189 /nfs/dbraw/zinc/97/61/89/368976189.db2.gz XULOFWXVBCWTAJ-UHFFFAOYSA-N 1 0 277.371 3.205 10 0 CGAERO C[C@@H](c1ccc(-c2ccc(N)nc2)cc1)[NH+]1CCCC1 ZINC000032573332 368936199 /nfs/dbraw/zinc/93/61/99/368936199.db2.gz KAUMNYBQMXRVJW-ZDUSSCGKSA-N 1 0 267.376 3.488 10 0 CGAERO COc1ccc([C@@H]([NH3+])c2ccc(Cl)s2)cc1 ZINC000034939214 368981815 /nfs/dbraw/zinc/98/18/15/368981815.db2.gz VAILKEDXLLGXNQ-GFCCVEGCSA-N 1 0 253.754 3.458 10 0 CGAERO CSc1ccc([C@@H](C[NH3+])N2CCc3ccccc32)cc1 ZINC000034958885 368982432 /nfs/dbraw/zinc/98/24/32/368982432.db2.gz QNHDCJYQEPFCQZ-QGZVFWFLSA-N 1 0 284.428 3.471 10 0 CGAERO Cn1ncc2c1CCC[C@H]2CC[N@H+](C)Cc1ccccc1 ZINC000035878116 369005069 /nfs/dbraw/zinc/00/50/69/369005069.db2.gz CXXTWHMLTPJJON-INIZCTEOSA-N 1 0 283.419 3.362 10 0 CGAERO C[C@@H]([NH2+]C[C@H](C)O)c1c(Cl)ccc(F)c1Cl ZINC000035791541 369005147 /nfs/dbraw/zinc/00/51/47/369005147.db2.gz VOAFOZVOALKBOJ-NKWVEPMBSA-N 1 0 266.143 3.164 10 0 CGAERO COc1ccc(C(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC000035020366 368991089 /nfs/dbraw/zinc/99/10/89/368991089.db2.gz DUTXKGHCLKAPGV-ZDUSSCGKSA-N 1 0 261.365 3.142 10 0 CGAERO Cc1ccccc1[C@@H](c1ccccc1)[C@@H](O)C[NH+](C)C ZINC000039245478 369149590 /nfs/dbraw/zinc/14/95/90/369149590.db2.gz QSRRIHWNLZIBTH-ZWKOTPCHSA-N 1 0 269.388 3.049 10 0 CGAERO CC[C@@H]([NH2+][C@@H]1CCCN(CC)C1)c1ccc(OC)cc1 ZINC000040502308 369158401 /nfs/dbraw/zinc/15/84/01/369158401.db2.gz XCAVGJKKFOQTTL-NVXWUHKLSA-N 1 0 276.424 3.220 10 0 CGAERO [NH3+][C@@H]1CCC[C@H]1Cc1cccc(Br)c1 ZINC000042397781 369219878 /nfs/dbraw/zinc/21/98/78/369219878.db2.gz HNKSBHUFZDFFLF-CMPLNLGQSA-N 1 0 254.171 3.119 10 0 CGAERO c1ccc2sc(OCC[C@H]3CCCC[NH2+]3)nc2c1 ZINC000051871210 369457027 /nfs/dbraw/zinc/45/70/27/369457027.db2.gz HTVILVBNFCEZMB-LLVKDONJSA-N 1 0 262.378 3.207 10 0 CGAERO OCCC[C@H]1CCC[N@@H+]1Cc1cc(F)cc2cccnc21 ZINC000052762213 369471014 /nfs/dbraw/zinc/47/10/14/369471014.db2.gz JLYFSOSIKMEPDD-MRXNPFEDSA-N 1 0 288.366 3.111 10 0 CGAERO Cc1cc(C)cc(OCCC[N@@H+]2CCC[C@H]2CCCO)c1 ZINC000052762830 369471639 /nfs/dbraw/zinc/47/16/39/369471639.db2.gz MBRIUWBYLFRVQC-KRWDZBQOSA-N 1 0 291.435 3.309 10 0 CGAERO CC[C@@H](C)[N@H+](Cc1ccncc1)Cc1cccnc1NC ZINC000055386299 369516400 /nfs/dbraw/zinc/51/64/00/369516400.db2.gz MVILMCJTIDQDJA-CQSZACIVSA-N 1 0 284.407 3.319 10 0 CGAERO Cc1ccc([C@@H](C)[NH2+]Cc2cnc3c(c2)c(C)nn3C)o1 ZINC000070164440 369783901 /nfs/dbraw/zinc/78/39/01/369783901.db2.gz AUWXUJCCDZHEHE-GFCCVEGCSA-N 1 0 284.363 3.029 10 0 CGAERO CCc1c(C)nc(-c2ccccc2)nc1N[C@H]1CCC[NH2+]C1 ZINC000070456408 369801123 /nfs/dbraw/zinc/80/11/23/369801123.db2.gz AGXPQJATCLAQPS-HNNXBMFYSA-N 1 0 296.418 3.178 10 0 CGAERO COc1cc(OC)cc([C@@H](C[NH3+])c2ccccc2C)c1 ZINC000076711744 369940242 /nfs/dbraw/zinc/94/02/42/369940242.db2.gz YBOUXNPSWNVNBY-QGZVFWFLSA-N 1 0 271.360 3.103 10 0 CGAERO Cc1ccc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)s1 ZINC000092812545 370103036 /nfs/dbraw/zinc/10/30/36/370103036.db2.gz AWPLGJAJJXBDMU-AWEZNQCLSA-N 1 0 287.432 3.386 10 0 CGAERO CC[NH2+][C@@H]1CCOC[C@@H]1Cc1c(F)cccc1Cl ZINC000095091459 370173485 /nfs/dbraw/zinc/17/34/85/370173485.db2.gz ONNFQAKWNCWSDZ-IINYFYTJSA-N 1 0 271.763 3.036 10 0 CGAERO COc1cccc([C@H]2C[C@H]([NH3+])c3ccccc3N2)c1 ZINC000097758170 370253078 /nfs/dbraw/zinc/25/30/78/370253078.db2.gz LWMIXDKNXCGVMP-GOEBONIOSA-N 1 0 254.333 3.252 10 0 CGAERO Cc1ccc(O)c(C[NH2+]Cc2ccc(Cl)cc2)n1 ZINC000103340697 370323045 /nfs/dbraw/zinc/32/30/45/370323045.db2.gz KKAYKXAHTNDHDI-UHFFFAOYSA-N 1 0 262.740 3.039 10 0 CGAERO C[C@@H]([NH2+]CC(=O)N1CCC(C)CC1)c1cccc(Cl)c1 ZINC000102685989 370307603 /nfs/dbraw/zinc/30/76/03/370307603.db2.gz OCIYRUGJWSMJGT-CYBMUJFWSA-N 1 0 294.826 3.249 10 0 CGAERO C[NH+](C)C[C@@H](NCc1cccc(F)c1F)c1ccccc1 ZINC000111037905 370391579 /nfs/dbraw/zinc/39/15/79/370391579.db2.gz ZSDUWIWXLVCQBH-MRXNPFEDSA-N 1 0 290.357 3.357 10 0 CGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ncc(-c2ccccc2)o1 ZINC000113269456 370470156 /nfs/dbraw/zinc/47/01/56/370470156.db2.gz NDOJARZJGXHAJE-GDBMZVCRSA-N 1 0 297.402 3.010 10 0 CGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1csc(C(C)(C)C)n1 ZINC000113268628 370470443 /nfs/dbraw/zinc/47/04/43/370470443.db2.gz DUZFPNRICQJDNR-TZMCWYRMSA-N 1 0 293.480 3.109 10 0 CGAERO CCCCC[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000117876653 370600967 /nfs/dbraw/zinc/60/09/67/370600967.db2.gz IHGRVSMCXPKUCY-AWEZNQCLSA-N 1 0 276.428 3.332 10 0 CGAERO Cc1ccc([C@@H]2CCCC[N@H+]2C[C@H](O)COCC(C)C)o1 ZINC000130955520 371073018 /nfs/dbraw/zinc/07/30/18/371073018.db2.gz WUHAXULIWHKYCR-HOTGVXAUSA-N 1 0 295.423 3.149 10 0 CGAERO O=C(CC1CCCCC1)Nc1cccc2c1C[NH2+]CC2 ZINC000131500304 371111778 /nfs/dbraw/zinc/11/17/78/371111778.db2.gz XTLDQRACXQCDGE-UHFFFAOYSA-N 1 0 272.392 3.241 10 0 CGAERO Cc1cccc(N[C@@H]2CC[N@H+](CC3CCCC3)C2)n1 ZINC000132237863 371161048 /nfs/dbraw/zinc/16/10/48/371161048.db2.gz VXXFEYVDFCVNFE-OAHLLOKOSA-N 1 0 259.397 3.066 10 0 CGAERO C[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000134244625 371314333 /nfs/dbraw/zinc/31/43/33/371314333.db2.gz NXIWCJTYBXTFPD-PELKAZGASA-N 1 0 277.261 3.112 10 0 CGAERO CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1nnc(C)n1CC ZINC000135331510 371416153 /nfs/dbraw/zinc/41/61/53/371416153.db2.gz QXCHEVITSZRDMG-GXTWGEPZSA-N 1 0 264.417 3.007 10 0 CGAERO Cc1ccc(CC[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000140431582 371509540 /nfs/dbraw/zinc/50/95/40/371509540.db2.gz LPUDVZOMPJWWAS-QZTJIDSGSA-N 1 0 273.420 3.165 10 0 CGAERO C[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1ccc(F)cc1Cl ZINC000037321278 541863527 /nfs/dbraw/zinc/86/35/27/541863527.db2.gz WNGIFICNXWSEBM-DLOVCJGASA-N 1 0 271.763 3.433 10 0 CGAERO CCC[C@@H](C(=O)Nc1cccc(N(C)C(C)C)c1)[NH+](C)C ZINC000162080914 372370785 /nfs/dbraw/zinc/37/07/85/372370785.db2.gz IQRUXKHFVDMBBR-INIZCTEOSA-N 1 0 291.439 3.200 10 0 CGAERO COc1ccc([C@H](C)[NH2+][C@H]2CN(C(C)C)C[C@H]2C)cc1F ZINC000162318360 372387814 /nfs/dbraw/zinc/38/78/14/372387814.db2.gz SBUYNSNKOBWBPJ-WWGRRREGSA-N 1 0 294.414 3.214 10 0 CGAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1ncc(CSC)s1 ZINC000293511899 372399775 /nfs/dbraw/zinc/39/97/75/372399775.db2.gz IDQAZUOQJWMPLD-ONGXEEELSA-N 1 0 256.440 3.284 10 0 CGAERO CC[NH+]1CCC(N[C@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000163097685 372445354 /nfs/dbraw/zinc/44/53/54/372445354.db2.gz LYDNOFHUGYKSKD-INIZCTEOSA-N 1 0 288.435 3.363 10 0 CGAERO C[C@H](N[C@@H](C[NH+](C)C)c1ccccc1)c1cncc(F)c1 ZINC000163852193 372494997 /nfs/dbraw/zinc/49/49/97/372494997.db2.gz GHTUZNSUOIBMCU-GUYCJALGSA-N 1 0 287.382 3.174 10 0 CGAERO CC[C@H](CSC)[NH2+]Cc1ccnc2ccccc12 ZINC000163886697 372498550 /nfs/dbraw/zinc/49/85/50/372498550.db2.gz ZZZOQFYYZJTZPT-CYBMUJFWSA-N 1 0 260.406 3.466 10 0 CGAERO C[C@@H](Nc1nccc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000168718138 372617582 /nfs/dbraw/zinc/61/75/82/372617582.db2.gz RRYCYLQXXBJIDT-OCCSQVGLSA-N 1 0 255.365 3.035 10 0 CGAERO CC[C@@H](C)[C@@H](C)[N@H+](Cc1nnc(C(C)C)n1C)C1CC1 ZINC000170931222 372685167 /nfs/dbraw/zinc/68/51/67/372685167.db2.gz KGICVXJTFXVADQ-CHWSQXEVSA-N 1 0 278.444 3.338 10 0 CGAERO CCn1c(C)nnc1C[N@H+](C(C)C)C1CCCCC1 ZINC000171139256 372719170 /nfs/dbraw/zinc/71/91/70/372719170.db2.gz JEYLZHNDPMEQQQ-UHFFFAOYSA-N 1 0 264.417 3.150 10 0 CGAERO Cn1cc([C@H]2CCC[N@@H+]2Cc2cccc3cccnc32)cn1 ZINC000171412523 372753931 /nfs/dbraw/zinc/75/39/31/372753931.db2.gz QIHQJVNWBNBLJC-QGZVFWFLSA-N 1 0 292.386 3.305 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CCC[NH+](CCC)[C@@H](CN)c1ccc(OC(F)F)cc1 ZINC000022177131 171370761 /nfs/dbraw/zinc/37/07/61/171370761.db2.gz KWMNJFBOZIOFMP-AWEZNQCLSA-N 1 0 286.366 3.410 10 0 CGAERO CCOc1ccccc1[C@H](C[NH3+])N(C)c1ccccc1 ZINC000022210940 171373434 /nfs/dbraw/zinc/37/34/34/171373434.db2.gz WPDYHTJDJPZHSI-INIZCTEOSA-N 1 0 270.376 3.222 10 0 CGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)Nc1ccc(Cl)c(N)c1 ZINC000022211092 171373630 /nfs/dbraw/zinc/37/36/30/171373630.db2.gz HAHVBQWHVYUOOE-PHIMTYICSA-N 1 0 295.814 3.124 10 0 CGAERO C[NH2+][C@H](C)c1cc2cc(Br)ccc2o1 ZINC000022214955 171375505 /nfs/dbraw/zinc/37/55/05/171375505.db2.gz MGICRJJOWQGSQJ-SSDOTTSWSA-N 1 0 254.127 3.476 10 0 CGAERO C[C@H]1CCC[C@H](C)[NH+]1CC(=O)Nc1cc(Cl)ccc1N ZINC000022222701 171378893 /nfs/dbraw/zinc/37/88/93/171378893.db2.gz GBWMWGPWOZAMMT-QWRGUYRKSA-N 1 0 295.814 3.124 10 0 CGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CC(=O)Nc1cc(Cl)ccc1N ZINC000022222696 171378932 /nfs/dbraw/zinc/37/89/32/171378932.db2.gz GBWMWGPWOZAMMT-GHMZBOCLSA-N 1 0 295.814 3.124 10 0 CGAERO CCC[NH+](CCC)C[C@H](N)c1ccccc1OCC ZINC000022563140 171391000 /nfs/dbraw/zinc/39/10/00/171391000.db2.gz AIEORCNYEGPNHF-HNNXBMFYSA-N 1 0 264.413 3.207 10 0 CGAERO COc1ccccc1[C@@H]([NH3+])COc1ccc(C)c(C)c1 ZINC000023069683 171409875 /nfs/dbraw/zinc/40/98/75/171409875.db2.gz QFSWJOZVVNLSKA-INIZCTEOSA-N 1 0 271.360 3.391 10 0 CGAERO Cc1sc(C[C@@H](C)[NH3+])nc1-c1ccc(F)cc1 ZINC000032105292 171697811 /nfs/dbraw/zinc/69/78/11/171697811.db2.gz KRAKAMOLIKGRPH-MRVPVSSYSA-N 1 0 250.342 3.147 10 0 CGAERO CCOc1ccccc1O[C@H](C[NH3+])c1ccc(C)cc1 ZINC000032119324 171711278 /nfs/dbraw/zinc/71/12/78/171711278.db2.gz YKDNIWQBWBUXRX-QGZVFWFLSA-N 1 0 271.360 3.473 10 0 CGAERO CCOc1cccc(C[NH2+][C@@H](C)C(C)C)c1OC ZINC000034992001 171918604 /nfs/dbraw/zinc/91/86/04/171918604.db2.gz ZCCVIFXIMXEUFG-LBPRGKRZSA-N 1 0 251.370 3.228 10 0 CGAERO CC(C)COCCC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035163340 172024160 /nfs/dbraw/zinc/02/41/60/172024160.db2.gz QBFYOLBYTWTELP-UHFFFAOYSA-N 1 0 265.441 3.463 10 0 CGAERO Cc1cc(NC2CCC(O)CC2)c2ccccc2[nH+]1 ZINC000035206364 172050289 /nfs/dbraw/zinc/05/02/89/172050289.db2.gz YOJJDULAKFEEHB-UHFFFAOYSA-N 1 0 256.349 3.259 10 0 CGAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccs1 ZINC000035206924 172051974 /nfs/dbraw/zinc/05/19/74/172051974.db2.gz QLUPQSNGOTZICS-MNOVXSKESA-N 1 0 268.426 3.092 10 0 CGAERO CC(C)C[NH2+][C@@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000035273143 172093611 /nfs/dbraw/zinc/09/36/11/172093611.db2.gz WCOVLXMYUSAVOV-MNOVXSKESA-N 1 0 253.308 3.122 10 0 CGAERO C[NH2+][C@@H](c1ccco1)c1ccc(OC)c(Cl)c1 ZINC000035461591 172209748 /nfs/dbraw/zinc/20/97/48/172209748.db2.gz RXIOILUPVOUUKR-CYBMUJFWSA-N 1 0 251.713 3.250 10 0 CGAERO CCC[C@H](C)[C@H]([NH2+]C)c1cc(OC)ccc1OC ZINC000035466666 172214782 /nfs/dbraw/zinc/21/47/82/172214782.db2.gz SZBXUMBHXBIRES-NHYWBVRUSA-N 1 0 251.370 3.401 10 0 CGAERO CCC[C@H]([NH2+]C)c1cc(OC)c(OC)cc1Cl ZINC000035501216 172235770 /nfs/dbraw/zinc/23/57/70/172235770.db2.gz NGKGKQILFLTYMF-NSHDSACASA-N 1 0 257.761 3.418 10 0 CGAERO C[NH2+][C@H](c1cc(OC)c(OC)cc1Cl)C1CC1 ZINC000035501263 172236047 /nfs/dbraw/zinc/23/60/47/172236047.db2.gz ZMXVKSGMPRNHEV-ZDUSSCGKSA-N 1 0 255.745 3.028 10 0 CGAERO CC[NH2+][C@H](Cc1ncc[nH]1)c1ccc(F)cc1Cl ZINC000035570289 172266330 /nfs/dbraw/zinc/26/63/30/172266330.db2.gz DEEWHDOGQALMHZ-GFCCVEGCSA-N 1 0 267.735 3.096 10 0 CGAERO CCC[NH2+][C@@H](c1cc(OC)ccc1OC)C(C)C ZINC000035577819 172274379 /nfs/dbraw/zinc/27/43/79/172274379.db2.gz XGIFQDSPYVRRNB-OAHLLOKOSA-N 1 0 251.370 3.401 10 0 CGAERO CCC[NH2+][C@@H](Cc1ncc[nH]1)c1cccc(Cl)c1 ZINC000035586599 172285646 /nfs/dbraw/zinc/28/56/46/172285646.db2.gz XJRGEXANGAPOLT-ZDUSSCGKSA-N 1 0 263.772 3.347 10 0 CGAERO C[NH2+][C@H](C)c1ccc(NC(=O)c2ccc(C)o2)cc1 ZINC000035634890 172319622 /nfs/dbraw/zinc/31/96/22/172319622.db2.gz XGDWIEXDCARHMY-LLVKDONJSA-N 1 0 258.321 3.121 10 0 CGAERO Brc1cccc2c1OCC[C@@H]2[NH2+]C1CC1 ZINC000035654505 172331194 /nfs/dbraw/zinc/33/11/94/172331194.db2.gz BKCSNSNAECOSLV-NSHDSACASA-N 1 0 268.154 3.025 10 0 CGAERO CN(Cc1ccsc1)[C@H](C[NH3+])c1cc(F)ccc1F ZINC000035718944 172373198 /nfs/dbraw/zinc/37/31/98/172373198.db2.gz LYFGKGDVXNUEAP-CQSZACIVSA-N 1 0 282.359 3.158 10 0 CGAERO [NH3+]Cc1ccnc(Oc2ccc(Br)cc2)c1 ZINC000035719804 172373828 /nfs/dbraw/zinc/37/38/28/172373828.db2.gz MCXIOXKZSCLSHN-UHFFFAOYSA-N 1 0 279.137 3.095 10 0 CGAERO CCc1ccccc1O[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000036669400 172647638 /nfs/dbraw/zinc/64/76/38/172647638.db2.gz KXJUAISHOOLQGL-IAGOWNOFSA-N 1 0 253.345 3.253 10 0 CGAERO CCC(CC)Nc1c(C(N)=S)c[nH+]c2ccccc21 ZINC000036913836 172800534 /nfs/dbraw/zinc/80/05/34/172800534.db2.gz NUZRKULWRIQDGN-UHFFFAOYSA-N 1 0 273.405 3.470 10 0 CGAERO CC(C)CC[C@H]([NH3+])c1ccc2c(c1)CCCC(=O)N2 ZINC000036949857 172823926 /nfs/dbraw/zinc/82/39/26/172823926.db2.gz OXQYRYVMFJMHOS-AWEZNQCLSA-N 1 0 260.381 3.397 10 0 CGAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC000037164385 172998999 /nfs/dbraw/zinc/99/89/99/172998999.db2.gz LLHHYADOEGHYGJ-CHWSQXEVSA-N 1 0 273.298 3.099 10 0 CGAERO C[C@@H](Nc1ccc(Cl)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000037209881 173032212 /nfs/dbraw/zinc/03/22/12/173032212.db2.gz CAAZORSAGDLKDF-NEPJUHHUSA-N 1 0 252.789 3.482 10 0 CGAERO Cc1ccc(F)c(N[C@@H](C)[C@H]2CCC[N@H+](C)C2)c1 ZINC000037221893 173042427 /nfs/dbraw/zinc/04/24/27/173042427.db2.gz VCIWCICMKSPSPD-STQMWFEESA-N 1 0 250.361 3.276 10 0 CGAERO CC(C)[C@H](CN[C@@H]1CSCc2ccccc21)[NH+](C)C ZINC000037233574 173052432 /nfs/dbraw/zinc/05/24/32/173052432.db2.gz ZTMBZDNNKYAIGJ-CVEARBPZSA-N 1 0 278.465 3.150 10 0 CGAERO [NH3+]C[C@@H](c1ccc(Cl)s1)N1CCc2ccccc2C1 ZINC000037328326 173128370 /nfs/dbraw/zinc/12/83/70/173128370.db2.gz XSIOIPQAIBESHM-ZDUSSCGKSA-N 1 0 292.835 3.460 10 0 CGAERO CCc1cccc(C)c1NC(=O)C[NH2+]C1CCCC1 ZINC000037386776 173170157 /nfs/dbraw/zinc/17/01/57/173170157.db2.gz HIXJCTMDRKXUTP-UHFFFAOYSA-N 1 0 260.381 3.028 10 0 CGAERO COC(=O)CCC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000037395179 173175584 /nfs/dbraw/zinc/17/55/84/173175584.db2.gz VLOANBRTSIPMSR-UHFFFAOYSA-N 1 0 263.381 3.027 10 0 CGAERO [NH3+]CCCCCc1nc2cc(F)ccc2n1C1CC1 ZINC000037439791 173209339 /nfs/dbraw/zinc/20/93/39/173209339.db2.gz FZEPUJOIURDZHO-UHFFFAOYSA-N 1 0 261.344 3.182 10 0 CGAERO CC(C)n1c(C[NH2+]CC2CC2)nc2cc(F)ccc21 ZINC000037439708 173209811 /nfs/dbraw/zinc/20/98/11/173209811.db2.gz KHAAWZITZXYOJZ-UHFFFAOYSA-N 1 0 261.344 3.256 10 0 CGAERO CCn1c2ccc(Cl)cc2nc1[C@H]([NH3+])CCSC ZINC000037440415 173210521 /nfs/dbraw/zinc/21/05/21/173210521.db2.gz HLIIVVLUYDMOQD-SNVBAGLBSA-N 1 0 283.828 3.463 10 0 CGAERO CC(C)[C@](C)([NH3+])Cc1cccc(Br)c1 ZINC000037463785 173225425 /nfs/dbraw/zinc/22/54/25/173225425.db2.gz NDLYSJMSLWLJSX-GFCCVEGCSA-N 1 0 256.187 3.365 10 0 CGAERO C[NH2+][C@H](Cc1ccccc1Br)C[C@H]1CCCO1 ZINC000037535100 173254443 /nfs/dbraw/zinc/25/44/43/173254443.db2.gz AXJWLYSXKFRLMS-CHWSQXEVSA-N 1 0 298.224 3.149 10 0 CGAERO NC(=O)C1([NH2+]C2CCCC2)CCC(c2ccccc2)CC1 ZINC000037968690 173915623 /nfs/dbraw/zinc/91/56/23/173915623.db2.gz VOGLAJZVHUCMFV-UHFFFAOYSA-N 1 0 286.419 3.101 10 0 CGAERO CCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000037980700 173940123 /nfs/dbraw/zinc/94/01/23/173940123.db2.gz HAXWVSISNJXORK-UONOGXRCSA-N 1 0 276.424 3.204 10 0 CGAERO CC[C@H](Cc1ccccc1Br)[C@@H](C)[NH3+] ZINC000038004459 173966489 /nfs/dbraw/zinc/96/64/89/173966489.db2.gz AVGWBNUIWSJPFS-NXEZZACHSA-N 1 0 256.187 3.365 10 0 CGAERO C[C@H](CN[C@H](C)c1c(F)cccc1F)[NH+]1CCCCC1 ZINC000038028377 174016175 /nfs/dbraw/zinc/01/61/75/174016175.db2.gz MSGCGXDFONZFGH-CHWSQXEVSA-N 1 0 282.378 3.490 10 0 CGAERO C[C@@H](CNc1ccc(C(F)(F)F)cn1)[NH+]1CCCCC1 ZINC000038029344 174019322 /nfs/dbraw/zinc/01/93/22/174019322.db2.gz JKCRJTSEUUBFSB-NSHDSACASA-N 1 0 287.329 3.387 10 0 CGAERO Cc1ccc(OCC[N@@H+]2CCc3c(N)cccc3C2)cc1 ZINC000038032817 174029869 /nfs/dbraw/zinc/02/98/69/174029869.db2.gz MYEPGULQHLJRSA-UHFFFAOYSA-N 1 0 282.387 3.014 10 0 CGAERO CCC1CCC(N(C)C(=O)CCC[NH2+]C(C)C)CC1 ZINC000038059199 174069500 /nfs/dbraw/zinc/06/95/00/174069500.db2.gz LJKOWJPOHNMANW-UHFFFAOYSA-N 1 0 268.445 3.192 10 0 CGAERO CCC[NH2+]Cc1ccccc1-c1c(C)nn(C)c1C ZINC000038073186 174083292 /nfs/dbraw/zinc/08/32/92/174083292.db2.gz WXVLYISGSRXNIC-UHFFFAOYSA-N 1 0 257.381 3.204 10 0 CGAERO CC[NH2+][C@@H](Cc1cc(C)cc(C)c1)C[C@@H]1CCCO1 ZINC000038077424 174087523 /nfs/dbraw/zinc/08/75/23/174087523.db2.gz NSMBNFKUMVNTRO-IRXDYDNUSA-N 1 0 261.409 3.393 10 0 CGAERO CCC[NH2+][C@@H](CCOCC)Cc1cccc(F)c1 ZINC000038135567 174132917 /nfs/dbraw/zinc/13/29/17/174132917.db2.gz IKXBYUSDHYAETK-HNNXBMFYSA-N 1 0 253.361 3.163 10 0 CGAERO C[C@H]1CCCN([C@@H](C[NH3+])c2ccccc2Cl)C1 ZINC000038860324 174157979 /nfs/dbraw/zinc/15/79/79/174157979.db2.gz HFCXWGATMMXXMR-FZMZJTMJSA-N 1 0 252.789 3.072 10 0 CGAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000127443437 287288231 /nfs/dbraw/zinc/28/82/31/287288231.db2.gz PIWYGSPHKVYHFE-RDDDGLTNSA-N 1 0 258.134 3.086 10 0 CGAERO C[C@@H]([NH3+])c1cc(F)ccc1Oc1ccc(CO)cc1 ZINC000040711152 174381086 /nfs/dbraw/zinc/38/10/86/174381086.db2.gz UVSJJVQHKWFKMN-SNVBAGLBSA-N 1 0 261.296 3.130 10 0 CGAERO [NH3+]C[C@H](c1ccco1)N(Cc1cccs1)C1CC1 ZINC000042515464 174766701 /nfs/dbraw/zinc/76/67/01/174766701.db2.gz HTBIFJJETSCILC-CYBMUJFWSA-N 1 0 262.378 3.006 10 0 CGAERO CCCCC[C@H](C)[NH2+][C@@H](C)C(=O)NC(C)(C)CC ZINC000042570383 174800201 /nfs/dbraw/zinc/80/02/01/174800201.db2.gz GIAFDHHDDFFYOC-STQMWFEESA-N 1 0 256.434 3.238 10 0 CGAERO CCOC(=O)CS[C@@H](c1cccc(Cl)c1)[C@@H](C)[NH3+] ZINC000043019549 174944973 /nfs/dbraw/zinc/94/49/73/174944973.db2.gz DICWQZFVXWSVCB-NOZJJQNGSA-N 1 0 287.812 3.025 10 0 CGAERO C[C@H]([NH3+])[C@H](OCc1cccs1)c1ccccc1F ZINC000043048873 174957842 /nfs/dbraw/zinc/95/78/42/174957842.db2.gz QUOSCLYGZDDLNF-HZMBPMFUSA-N 1 0 265.353 3.492 10 0 CGAERO COc1ccc(CO[C@@H](c2cccs2)[C@@H](C)[NH3+])cc1 ZINC000043110320 174974061 /nfs/dbraw/zinc/97/40/61/174974061.db2.gz IJBCELABZBSDRQ-IAQYHMDHSA-N 1 0 277.389 3.362 10 0 CGAERO c1ccc2sc(S[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000043501627 175058713 /nfs/dbraw/zinc/05/87/13/175058713.db2.gz UUPVULUCICXBDA-SECBINFHSA-N 1 0 250.392 3.140 10 0 CGAERO Nc1cc[nH+]c(Nc2cccc(C(F)(F)F)c2)c1 ZINC000043568554 175067494 /nfs/dbraw/zinc/06/74/94/175067494.db2.gz FBKKJAZBCYFOIK-UHFFFAOYSA-N 1 0 253.227 3.426 10 0 CGAERO CC[C@H](CCc1cc(Br)cs1)[NH2+]C ZINC000043688048 175094916 /nfs/dbraw/zinc/09/49/16/175094916.db2.gz QBXZHAZVDCUMSN-SECBINFHSA-N 1 0 262.216 3.441 10 0 CGAERO CC[NH2+][C@H](CN1CCCCC1)c1cc(C)ccc1C ZINC000043814279 175111596 /nfs/dbraw/zinc/11/15/96/175111596.db2.gz ICFQHWFYQSFBFB-QGZVFWFLSA-N 1 0 260.425 3.440 10 0 CGAERO C[C@H](OCc1ccccc1)[C@H]([NH3+])c1ccc(F)cc1 ZINC000044138981 175146380 /nfs/dbraw/zinc/14/63/80/175146380.db2.gz SKSONJURIULUMN-LRDDRELGSA-N 1 0 259.324 3.431 10 0 CGAERO Cc1ccc(C)c(NC(=O)C2(C[NH3+])CCCCC2)c1 ZINC000044753004 175245476 /nfs/dbraw/zinc/24/54/76/175245476.db2.gz ZULHEAYHSIUQGV-UHFFFAOYSA-N 1 0 260.381 3.151 10 0 CGAERO CCC[C@H](C)[C@H]1CCC[N@@H+]1C[C@H](O)COC(C)(C)C ZINC000127975360 287300088 /nfs/dbraw/zinc/30/00/88/287300088.db2.gz FQLHYQSBWARVHA-SOUVJXGZSA-N 1 0 271.445 3.063 10 0 CGAERO CC(C)CCOCC[NH2+][C@@H]1CCc2c1cccc2O ZINC000045094086 175307050 /nfs/dbraw/zinc/30/70/50/175307050.db2.gz UJKFRGQXMSKHEG-OAHLLOKOSA-N 1 0 263.381 3.032 10 0 CGAERO CC(C)[NH2+]Cc1ccc(COc2cccnc2)cc1 ZINC000052646654 175536505 /nfs/dbraw/zinc/53/65/05/175536505.db2.gz IKYWNMBISOXIEE-UHFFFAOYSA-N 1 0 256.349 3.159 10 0 CGAERO CC[NH2+][C@@H](C)c1csc(Cc2cccs2)n1 ZINC000070841499 176008502 /nfs/dbraw/zinc/00/85/02/176008502.db2.gz NUIIQGMEPMMPCZ-VIFPVBQESA-N 1 0 252.408 3.466 10 0 CGAERO C[C@@H]([N@H+](C)Cc1ccc(F)cc1C(N)=S)C(C)(C)C ZINC000071266148 176099936 /nfs/dbraw/zinc/09/99/36/176099936.db2.gz NDQUXOUAZFLYEZ-SNVBAGLBSA-N 1 0 282.428 3.326 10 0 CGAERO CC[NH2+][C@@H](C)[C@H](O)c1cc(C(C)(C)C)ccc1OC ZINC000071597959 176221553 /nfs/dbraw/zinc/22/15/53/176221553.db2.gz YYCAXTZVWSSKLY-NHYWBVRUSA-N 1 0 265.397 3.024 10 0 CGAERO CC[NH2+][C@H](C)[C@H](O)c1ccc(OC)c(C(C)(C)C)c1 ZINC000071597950 176221723 /nfs/dbraw/zinc/22/17/23/176221723.db2.gz RFIVUDBIKLJNRD-ABAIWWIYSA-N 1 0 265.397 3.024 10 0 CGAERO COc1cc(C)c([C@H](OCC[NH3+])C2CC2)cc1Cl ZINC000071600971 176227487 /nfs/dbraw/zinc/22/74/87/176227487.db2.gz BMTGVPKXHFFYTN-CQSZACIVSA-N 1 0 269.772 3.083 10 0 CGAERO COc1ccc2c(c1)C1(CC1)C[NH2+][C@@H]2c1ccccc1OC ZINC000071650853 176241005 /nfs/dbraw/zinc/24/10/05/176241005.db2.gz HYQUBZALUOTZOL-SFHVURJKSA-N 1 0 295.382 3.428 10 0 CGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CN1C1CC1 ZINC000128860568 287319723 /nfs/dbraw/zinc/31/97/23/287319723.db2.gz NGQNSXDVTCBIKV-XQHKEYJVSA-N 1 0 290.373 3.322 10 0 CGAERO C[C@@H]1CCC[C@@]1(C[NH3+])c1ccccc1Br ZINC000076398014 177014870 /nfs/dbraw/zinc/01/48/70/177014870.db2.gz TUMBWUXNVBDDRH-MFKMUULPSA-N 1 0 268.198 3.466 10 0 CGAERO Cc1[nH]c(-c2ccc(Br)s2)cc1C[NH3+] ZINC000076409518 177019900 /nfs/dbraw/zinc/01/99/00/177019900.db2.gz VVNWAAPATXZLPB-UHFFFAOYSA-N 1 0 271.183 3.273 10 0 CGAERO Cc1cc([C@@H](CC[NH3+])COc2ccccc2)c(C)[nH]1 ZINC000076667421 177051578 /nfs/dbraw/zinc/05/15/78/177051578.db2.gz YJIYGAATQQSIAU-AWEZNQCLSA-N 1 0 258.365 3.143 10 0 CGAERO Cc1ccc(NC(=O)CC[C@H](C[NH3+])C(C)C)cc1C ZINC000076676050 177055974 /nfs/dbraw/zinc/05/59/74/177055974.db2.gz NMZKKMFBABLETM-CQSZACIVSA-N 1 0 262.397 3.253 10 0 CGAERO Cc1cccc(NC(=O)[C@H](CCC[NH3+])C(C)C)c1C ZINC000076675888 177056026 /nfs/dbraw/zinc/05/60/26/177056026.db2.gz KISWEFMICNTSHA-CQSZACIVSA-N 1 0 262.397 3.253 10 0 CGAERO COc1ccc([C@H](CC[NH3+])C2CCCC2)c(OC)c1 ZINC000076678575 177056729 /nfs/dbraw/zinc/05/67/29/177056729.db2.gz YBCAKXQMBZZIMO-CQSZACIVSA-N 1 0 263.381 3.326 10 0 CGAERO CC(C)Oc1ccccc1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000077204578 177233216 /nfs/dbraw/zinc/23/32/16/177233216.db2.gz AUKIIGRZGKYMJM-GDBMZVCRSA-N 1 0 277.408 3.115 10 0 CGAERO C[C@H](N[C@H]1C[NH2+]C[C@@H](C)C1)c1ccc(Cl)s1 ZINC000401796460 416546758 /nfs/dbraw/zinc/54/67/58/416546758.db2.gz JRBKYFIXRZJMLZ-LPEHRKFASA-N 1 0 258.818 3.050 10 0 CGAERO CC(C)Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2CC2)cc1 ZINC000130425295 287355027 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ZINC000658351060 418946487 /nfs/dbraw/zinc/94/64/87/418946487.db2.gz KMEZNIDIGLTAAT-FKTRJACZSA-N 1 0 274.191 3.415 10 0 CGAERO CC(C)COc1ccc([C@H](C)[NH2+]C2CC(CO)C2)cc1 ZINC000658352489 418947389 /nfs/dbraw/zinc/94/73/89/418947389.db2.gz XLIGVXRVROENPT-HLIUYOAVSA-N 1 0 277.408 3.143 10 0 CGAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCC(C)(C)CC(C)(C)C1 ZINC000659357014 418979833 /nfs/dbraw/zinc/97/98/33/418979833.db2.gz CVSPLMNEFMCGBS-ZIAGYGMSSA-N 1 0 280.456 3.049 10 0 CGAERO Cc1cncc(CC[NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)n1 ZINC000657712404 419331915 /nfs/dbraw/zinc/33/19/15/419331915.db2.gz RSWVFNBYDWXXGD-IUODEOHRSA-N 1 0 261.413 3.132 10 0 CGAERO CCOC1CCC([NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000658000699 419488593 /nfs/dbraw/zinc/48/85/93/419488593.db2.gz GHFWRTYBCXUHNF-XKRIRGRTSA-N 1 0 269.429 3.127 10 0 CGAERO Cc1cccc(C2CC([NH2+]Cc3ccnc(C)n3)C2)c1 ZINC000038037640 260124979 /nfs/dbraw/zinc/12/49/79/260124979.db2.gz DDNWTIPYZBAHNU-UHFFFAOYSA-N 1 0 267.376 3.129 10 0 CGAERO CC(C)(C)c1ccc(NC(=O)c2c[nH+]ccc2N)cc1 ZINC000082324066 260186158 /nfs/dbraw/zinc/18/61/58/260186158.db2.gz VXUDFBTVPBNOHO-UHFFFAOYSA-N 1 0 269.348 3.214 10 0 CGAERO Cc1ccccc1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1F ZINC000042267496 270032371 /nfs/dbraw/zinc/03/23/71/270032371.db2.gz FNTISXUABDADCF-CYBMUJFWSA-N 1 0 286.350 3.423 10 0 CGAERO CCCOc1ccc(NC(=O)[C@H]2CCC[C@H]2[NH3+])cc1Cl ZINC000085366094 270043596 /nfs/dbraw/zinc/04/35/96/270043596.db2.gz VAXDYQMPYKETRP-WCQYABFASA-N 1 0 296.798 3.195 10 0 CGAERO COCCCCC[N@H+](C)CCOc1ccc(C)cc1 ZINC000103225832 270045524 /nfs/dbraw/zinc/04/55/24/270045524.db2.gz KUYWUXLYMAFZJV-UHFFFAOYSA-N 1 0 265.397 3.122 10 0 CGAERO CC(C)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000105782521 270048023 /nfs/dbraw/zinc/04/80/23/270048023.db2.gz IPZPFIFCIWULIO-UONOGXRCSA-N 1 0 284.444 3.268 10 0 CGAERO C[C@@H]1C[NH+](CC2CCC(C(F)(F)F)CC2)C[C@@H](C)O1 ZINC000185488099 270062965 /nfs/dbraw/zinc/06/29/65/270062965.db2.gz LFSOAUBQKRSBLO-OKZRHMCRSA-N 1 0 279.346 3.464 10 0 CGAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+]Cc2cc(Cl)cs2)C1 ZINC000193147686 270078833 /nfs/dbraw/zinc/07/88/33/270078833.db2.gz CEORBEQDUUWMFD-MFKMUULPSA-N 1 0 272.845 3.220 10 0 CGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cccc3ccccc32)C1 ZINC000194310762 270081703 /nfs/dbraw/zinc/08/17/03/270081703.db2.gz NAEROGMFGVKBTN-HNNXBMFYSA-N 1 0 297.402 3.446 10 0 CGAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(C)(C)c1ccccc1C ZINC000195110948 270083615 /nfs/dbraw/zinc/08/36/15/270083615.db2.gz VWTJQTIULUFPTA-HNNXBMFYSA-N 1 0 290.451 3.119 10 0 CGAERO CCCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN2C)cc1 ZINC000222696951 270086266 /nfs/dbraw/zinc/08/62/66/270086266.db2.gz WKGKMWOHWFQRLC-PBHICJAKSA-N 1 0 260.425 3.384 10 0 CGAERO CCN1CCC[C@H]([NH2+][C@H](C)c2ccc(C)c(C)c2)C1 ZINC000250229083 270091257 /nfs/dbraw/zinc/09/12/57/270091257.db2.gz FWJHFSGGLBQXTF-WBVHZDCISA-N 1 0 260.425 3.438 10 0 CGAERO CCN1CC[C@@H]([NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000328349248 270095177 /nfs/dbraw/zinc/09/51/77/270095177.db2.gz MWHYNRPVSZSRLD-CABCVRRESA-N 1 0 250.430 3.173 10 0 CGAERO C[C@@H](CN[C@@H]1CCOc2ccccc21)C[NH+]1CCCCC1 ZINC000038041862 274225278 /nfs/dbraw/zinc/22/52/78/274225278.db2.gz RFJMPIIEKRGMNE-DOTOQJQBSA-N 1 0 288.435 3.222 10 0 CGAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1nc2ccc(Cl)cc2n1C ZINC000091320159 274531143 /nfs/dbraw/zinc/53/11/43/274531143.db2.gz DLXBSDRBHXYBFR-AUTRQRHGSA-N 1 0 263.772 3.286 10 0 CGAERO CCCC1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000251241990 287832838 /nfs/dbraw/zinc/83/28/38/287832838.db2.gz ADKQMYOBGDMEQP-VNPUNGKLSA-N 1 0 292.467 3.382 10 0 CGAERO CC(C)c1scnc1NC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000333396079 275779937 /nfs/dbraw/zinc/77/99/37/275779937.db2.gz YDRLNMHBMUKTEN-WDEREUQCSA-N 1 0 296.440 3.000 10 0 CGAERO CC1CCC(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)CC1 ZINC000311425186 276189150 /nfs/dbraw/zinc/18/91/50/276189150.db2.gz BLNCMJPYWHGUJT-BHUNQDJPSA-N 1 0 265.441 3.440 10 0 CGAERO CC(C)CC1(CNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)CCCC1 ZINC000094878789 277348891 /nfs/dbraw/zinc/34/88/91/277348891.db2.gz PCFIQQYAHNRNHS-HUUCEWRRSA-N 1 0 280.456 3.097 10 0 CGAERO C[C@@H]1C[C@H]([NH2+]CC2([S@@](C)=O)CCC2)CC(C)(C)C1 ZINC000393697260 288000520 /nfs/dbraw/zinc/00/05/20/288000520.db2.gz HZHGFNUOGVMIFZ-FHSNZYRGSA-N 1 0 271.470 3.092 10 0 CGAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)CC(C)(C)C1 ZINC000085979381 278026112 /nfs/dbraw/zinc/02/61/12/278026112.db2.gz RGQNRMPCTNXOSJ-QPSCCSFWSA-N 1 0 253.430 3.342 10 0 CGAERO CC(C)c1ccc([C@H](C)NC(=O)[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000247058179 278049086 /nfs/dbraw/zinc/04/90/86/278049086.db2.gz XIOMMQZXSQUPJL-VBNZEHGJSA-N 1 0 274.408 3.115 10 0 CGAERO CSC1(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CCC1 ZINC000356333170 278125307 /nfs/dbraw/zinc/12/53/07/278125307.db2.gz AKIAXYPXXSXDEZ-CLLJXQQHSA-N 1 0 257.443 3.065 10 0 CGAERO C[C@H]([NH2+][C@@H](CN(C)C)c1ccccc1)[C@H]1CC1(C)C ZINC000397781024 288030410 /nfs/dbraw/zinc/03/04/10/288030410.db2.gz OKTHQWWLRUDERX-IMJJTQAJSA-N 1 0 260.425 3.314 10 0 CGAERO CC1(C)CO[C@@H](c2ccccc2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000171091271 278357083 /nfs/dbraw/zinc/35/70/83/278357083.db2.gz IDUVGCKFOCIBGZ-JKSUJKDBSA-N 1 0 275.392 3.018 10 0 CGAERO CC1(C)C[C@@H]([NH2+][C@@H]2CCCOCC2)c2ccccc2O1 ZINC000313604577 278369743 /nfs/dbraw/zinc/36/97/43/278369743.db2.gz WGHMYQGQFNHWSH-UKRRQHHQSA-N 1 0 275.392 3.448 10 0 CGAERO CCC[C@H]([NH2+][C@H](C)c1csnn1)[C@H]1CC1(C)C ZINC000398380755 288043511 /nfs/dbraw/zinc/04/35/11/288043511.db2.gz NDNCBQBTGVGAAR-MXWKQRLJSA-N 1 0 253.415 3.404 10 0 CGAERO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1cccs1 ZINC000300412389 288066494 /nfs/dbraw/zinc/06/64/94/288066494.db2.gz SQGXGTFPMKLJJX-RWMBFGLXSA-N 1 0 253.411 3.340 10 0 CGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC1CCC(F)(F)CC1 ZINC000459371450 288084982 /nfs/dbraw/zinc/08/49/82/288084982.db2.gz SUNSAGIQSRIFCM-LSDHHAIUSA-N 1 0 286.410 3.371 10 0 CGAERO CCC(F)(F)C(C)(C)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000527664796 288185260 /nfs/dbraw/zinc/18/52/60/288185260.db2.gz LKBFSMDAVRWLRB-IJLUTSLNSA-N 1 0 275.383 3.461 10 0 CGAERO Cc1[nH+]ccc(NCC2C[C@H](C)O[C@@H](C)C2)c1Cl ZINC000359946433 280185714 /nfs/dbraw/zinc/18/57/14/280185714.db2.gz JYMZCBRSFJSTJO-UWVGGRQHSA-N 1 0 268.788 3.081 10 0 CGAERO Cc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2[NH3+])cc1 ZINC000204118489 281002122 /nfs/dbraw/zinc/00/21/22/281002122.db2.gz WKBKMGPBQVZDMI-HUUCEWRRSA-N 1 0 290.407 3.047 10 0 CGAERO C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)c1ccsc1 ZINC000246911122 290062250 /nfs/dbraw/zinc/06/22/50/290062250.db2.gz FQYBNCMHDHSAPO-VQISRLSMSA-N 1 0 259.374 3.057 10 0 CGAERO Cc1ccccc1[C@H]([NH2+]CC[C@H](C)O)c1ccccc1 ZINC000093248961 302198560 /nfs/dbraw/zinc/19/85/60/302198560.db2.gz KSWUICYGJZOFKC-MAUKXSAKSA-N 1 0 269.388 3.445 10 0 CGAERO FC(F)(F)[C@@H]1CC[N@@H+](C2CCC2)CC12CCOCC2 ZINC000334636726 303116998 /nfs/dbraw/zinc/11/69/98/303116998.db2.gz FQIWZCLSRISQEH-GFCCVEGCSA-N 1 0 277.330 3.220 10 0 CGAERO OCC1([NH2+][C@H]2CC3(CCCC3)Oc3ccccc32)CCC1 ZINC000182425681 304822931 /nfs/dbraw/zinc/82/29/31/304822931.db2.gz UDTOLAFZYOZIOS-HNNXBMFYSA-N 1 0 287.403 3.328 10 0 CGAERO CCC[C@H](C(=O)N[C@H](C)c1cc(C)cc(C)c1)[NH+](C)C ZINC000162046295 321877363 /nfs/dbraw/zinc/87/73/63/321877363.db2.gz LICNLWUXLTWUMF-GDBMZVCRSA-N 1 0 276.424 3.211 10 0 CGAERO CCCC[C@@H](COC)[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000163844088 321898231 /nfs/dbraw/zinc/89/82/31/321898231.db2.gz JAXMDDOUSSIKNE-DLBZAZTESA-N 1 0 278.440 3.084 10 0 CGAERO C[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1ccc(C(C)(C)C)cc1 ZINC000037007402 326833723 /nfs/dbraw/zinc/83/37/23/326833723.db2.gz SLCVATDXKQUCPB-DZGCQCFKSA-N 1 0 288.435 3.161 10 0 CGAERO CC[C@H](C)[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000379632350 330144697 /nfs/dbraw/zinc/14/46/97/330144697.db2.gz NPWKKNLUTOWKIG-DOTOQJQBSA-N 1 0 260.425 3.429 10 0 CGAERO Brc1ccc([C@H]2C[NH2+]CC23CCC3)cc1 ZINC000536949780 330382093 /nfs/dbraw/zinc/38/20/93/330382093.db2.gz FNGYCURQJCAFJM-GFCCVEGCSA-N 1 0 266.182 3.306 10 0 CGAERO C[C@@H]1C[C@@H](c2cccc(C(=O)OC(C)(C)C)c2)C[NH2+]1 ZINC000536958959 330383951 /nfs/dbraw/zinc/38/39/51/330383951.db2.gz NBAXRWDQUWVFSM-BXUZGUMPSA-N 1 0 261.365 3.107 10 0 CGAERO COc1cc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1Cl ZINC000305948500 333002353 /nfs/dbraw/zinc/00/23/53/333002353.db2.gz CKBIZHDRQFODSG-YOGCLGLASA-N 1 0 251.757 3.347 10 0 CGAERO CC(C)[C@@H]([NH2+]CCCn1ccnn1)c1ccccc1Cl ZINC000184264587 335922056 /nfs/dbraw/zinc/92/20/56/335922056.db2.gz LZFDSARYJBICDW-OAHLLOKOSA-N 1 0 292.814 3.309 10 0 CGAERO CC(C)c1nnc(CN(C)[C@@H]2CCc3ccccc32)n1C ZINC000195052783 336043816 /nfs/dbraw/zinc/04/38/16/336043816.db2.gz HVAADFLLCBXZHX-OAHLLOKOSA-N 1 0 284.407 3.058 10 0 CGAERO [NH3+]C[C@H]1CC[C@H](Nc2ccnc3cc(Cl)ccc32)C1 ZINC000382431650 336089216 /nfs/dbraw/zinc/08/92/16/336089216.db2.gz RDKBKEDLJVDBQZ-JQWIXIFHSA-N 1 0 275.783 3.428 10 0 CGAERO CC(C)(C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)C1CCC1 ZINC000385117123 336139421 /nfs/dbraw/zinc/13/94/21/336139421.db2.gz FANASCPWZXRIFC-MGPQQGTHSA-N 1 0 251.414 3.216 10 0 CGAERO C(C[N@@H+]1CCNCC12CCCCC2)C1CCCC1 ZINC000385363020 336144830 /nfs/dbraw/zinc/14/48/30/336144830.db2.gz KVLDPWOGDMOJGF-UHFFFAOYSA-N 1 0 250.430 3.175 10 0 CGAERO CCC[NH2+][C@@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000054932945 520023298 /nfs/dbraw/zinc/02/32/98/520023298.db2.gz MRESELSEKFASPE-ZIAGYGMSSA-N 1 0 255.308 3.264 10 0 CGAERO CC1(C)CN(Cc2c(F)cccc2Cl)C(C)(C)C[NH2+]1 ZINC000062672662 520471683 /nfs/dbraw/zinc/47/16/83/520471683.db2.gz FKRTXDZWFNXYEA-UHFFFAOYSA-N 1 0 284.806 3.442 10 0 CGAERO CCC[C@@H]([NH2+][C@@H](C)CC(=O)OC)c1cccs1 ZINC000049544355 520789638 /nfs/dbraw/zinc/78/96/38/520789638.db2.gz IWXXDKOPJIRTND-WDEREUQCSA-N 1 0 255.383 3.131 10 0 CGAERO CCCCOCCOc1cccc2c1CC[C@H]2[NH2+]C ZINC000062799033 520794013 /nfs/dbraw/zinc/79/40/13/520794013.db2.gz MCWXMCJVKFKLMY-OAHLLOKOSA-N 1 0 263.381 3.089 10 0 CGAERO CCCc1nc(N2CCC[C@@H](C)C2)sc1C[NH2+]C ZINC000054995612 521532362 /nfs/dbraw/zinc/53/23/62/521532362.db2.gz NGJYYDQJSQHPAN-LLVKDONJSA-N 1 0 267.442 3.051 10 0 CGAERO 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CGAERO CC[NH2+][C@@H](C)c1ccc(OCCOCC)c(Cl)c1 ZINC000061698739 520077662 /nfs/dbraw/zinc/07/76/62/520077662.db2.gz KGFBCSCHZGVAMO-NSHDSACASA-N 1 0 271.788 3.426 10 0 CGAERO CCC[NH2+][C@H](c1ccc(C)c(F)c1)c1cncnc1 ZINC000052887206 520088503 /nfs/dbraw/zinc/08/85/03/520088503.db2.gz KLWFZSZTYHWMRA-OAHLLOKOSA-N 1 0 259.328 3.013 10 0 CGAERO CC[NH2+][C@@H](Cc1ccc(OC)c(Br)c1)C1CC1 ZINC000049599656 520104193 /nfs/dbraw/zinc/10/41/93/520104193.db2.gz CWFAXQODAJSBJS-ZDUSSCGKSA-N 1 0 298.224 3.388 10 0 CGAERO CC[NH2+][C@@H](c1ccc(OC)cc1)[C@H](C)OC1CCC1 ZINC000050519655 520109452 /nfs/dbraw/zinc/10/94/52/520109452.db2.gz CJCLIOLXRZUJDA-BLLLJJGKSA-N 1 0 263.381 3.303 10 0 CGAERO CC[NH2+][C@@H]1CCCC[C@H]1CN(CC)CC(F)(F)F ZINC000053858624 520116616 /nfs/dbraw/zinc/11/66/16/520116616.db2.gz OMIYCUFWFYJUDQ-NWDGAFQWSA-N 1 0 266.351 3.039 10 0 CGAERO CC[NH2+][C@H](C[C@H]1CCCO1)c1ccc(OCC)cc1 ZINC000055223622 520202689 /nfs/dbraw/zinc/20/26/89/520202689.db2.gz HMYDPMPIDYBJRG-HZPDHXFCSA-N 1 0 263.381 3.305 10 0 CGAERO CC[NH2+][C@H](c1ccc(F)c(F)c1)C1CCOCC1 ZINC000061671881 520208059 /nfs/dbraw/zinc/20/80/59/520208059.db2.gz CSSXVPGOQZZHEN-AWEZNQCLSA-N 1 0 255.308 3.042 10 0 CGAERO CC[NH2+][C@H](c1nc(C(C)C)cs1)C1CCOCC1 ZINC000052179461 520212676 /nfs/dbraw/zinc/21/26/76/520212676.db2.gz GENSCXOYUZHHRG-ZDUSSCGKSA-N 1 0 268.426 3.344 10 0 CGAERO CCCOC[C@@H]([NH2+]C)c1ccc(C(F)(F)F)cc1 ZINC000055227567 520257543 /nfs/dbraw/zinc/25/75/43/520257543.db2.gz LPROPLLFVGOXLK-GFCCVEGCSA-N 1 0 261.287 3.393 10 0 CGAERO CCCCC[C@@H](C)[NH2+]CCn1nc(C)c(C)c1C ZINC000053540533 520286868 /nfs/dbraw/zinc/28/68/68/520286868.db2.gz WBZPLYLNAYSEOI-GFCCVEGCSA-N 1 0 251.418 3.367 10 0 CGAERO CCC[C@@H](NC(=O)C[C@@H](C)[NH2+]CC)c1cccs1 ZINC000061274200 520734677 /nfs/dbraw/zinc/73/46/77/520734677.db2.gz UIFZCUQAAKCVJY-VXGBXAGGSA-N 1 0 268.426 3.094 10 0 CGAERO CCOC(=O)C[C@H](C)[NH2+][C@H]1CCCc2sccc21 ZINC000061362085 520882623 /nfs/dbraw/zinc/88/26/23/520882623.db2.gz CKJICDOSVYDGBE-JQWIXIFHSA-N 1 0 267.394 3.057 10 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CCCn1c(C[C@H](C)[NH2+]CC)nc2cc(C)ccc21 ZINC000061181852 521630723 /nfs/dbraw/zinc/63/07/23/521630723.db2.gz AGFWXQKOVPSBCJ-ZDUSSCGKSA-N 1 0 259.397 3.295 10 0 CGAERO CCCn1ccc(C[NH2+]C[C@@H]2CCCCS2)c1 ZINC000158106697 521655581 /nfs/dbraw/zinc/65/55/81/521655581.db2.gz HFCJQXOAKCVGSF-AWEZNQCLSA-N 1 0 252.427 3.273 10 0 CGAERO CCC1(C)CC[NH+](Cc2cccc(C(N)=S)c2)CC1 ZINC000062953906 521678253 /nfs/dbraw/zinc/67/82/53/521678253.db2.gz WMHBCRGRDFUCCH-UHFFFAOYSA-N 1 0 276.449 3.333 10 0 CGAERO C[NH+](C)Cc1cccc(C(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000156550893 521911706 /nfs/dbraw/zinc/91/17/06/521911706.db2.gz XAMYRTYNHZBOLS-INIZCTEOSA-N 1 0 298.386 3.319 10 0 CGAERO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1cccc(SC)c1 ZINC000054627290 521960334 /nfs/dbraw/zinc/96/03/34/521960334.db2.gz LTMBXFQHNGYYKF-QXMXGUDHSA-N 1 0 262.422 3.128 10 0 CGAERO C[NH2+]C[C@@H]1CCN(c2cc(C(F)(F)F)ccc2Cl)C1 ZINC000053010380 522054997 /nfs/dbraw/zinc/05/49/97/522054997.db2.gz ANANHFJIQCJHAW-VIFPVBQESA-N 1 0 292.732 3.405 10 0 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CGAERO CC[C@@H]([NH3+])c1cnn(Cc2ccc(C(C)C)cc2)c1 ZINC000054717209 522657409 /nfs/dbraw/zinc/65/74/09/522657409.db2.gz CRBYUBROMKQOIF-MRXNPFEDSA-N 1 0 257.381 3.465 10 0 CGAERO CC[C@@H](NC(=O)CCCCCC[NH3+])c1cccs1 ZINC000049532165 522673304 /nfs/dbraw/zinc/67/33/04/522673304.db2.gz IQFRXMAUDICLDQ-GFCCVEGCSA-N 1 0 268.426 3.225 10 0 CGAERO CCn1cc(C[C@@](C)(CC)C[NH2+]C(C)(C)C)cn1 ZINC000054661577 523393954 /nfs/dbraw/zinc/39/39/54/523393954.db2.gz KSXBJFVLDDEPCW-OAHLLOKOSA-N 1 0 251.418 3.250 10 0 CGAERO CCn1cc(C[C@](C)(CC)C[NH2+]C(C)(C)C)cn1 ZINC000054661574 523397815 /nfs/dbraw/zinc/39/78/15/523397815.db2.gz KSXBJFVLDDEPCW-HNNXBMFYSA-N 1 0 251.418 3.250 10 0 CGAERO COCCC[C@H](C[NH2+]C(C)C)Cc1ccccc1F ZINC000052979314 523492252 /nfs/dbraw/zinc/49/22/52/523492252.db2.gz AYRPIJFWGWYUPK-AWEZNQCLSA-N 1 0 267.388 3.409 10 0 CGAERO CN([C@H](C[NH2+]C1CC1)c1ccccc1)C1CCCC1 ZINC000052445045 523626295 /nfs/dbraw/zinc/62/62/95/523626295.db2.gz PIUJFRSJZOJBGC-QGZVFWFLSA-N 1 0 258.409 3.354 10 0 CGAERO COc1ccc(C)cc1COc1ccc(CC[NH3+])cc1 ZINC000050701884 523813975 /nfs/dbraw/zinc/81/39/75/523813975.db2.gz SALPUVRRBKSHQZ-UHFFFAOYSA-N 1 0 271.360 3.084 10 0 CGAERO CC[C@H](C)N(C)Cc1csc(C[NH2+]CC(C)C)n1 ZINC000052443959 523922326 /nfs/dbraw/zinc/92/23/26/523922326.db2.gz DKFNJWKDEPKWKN-LBPRGKRZSA-N 1 0 269.458 3.119 10 0 CGAERO COCC[NH2+]C[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000054659786 523940130 /nfs/dbraw/zinc/94/01/30/523940130.db2.gz IFTIYWAVOCEWQN-NSHDSACASA-N 1 0 275.314 3.120 10 0 CGAERO COCC[NH2+]C[C@@H](Cc1ccc(C)cc1)CC(C)C ZINC000054662197 523940535 /nfs/dbraw/zinc/94/05/35/523940535.db2.gz IGGWHZVXROZCTC-QGZVFWFLSA-N 1 0 263.425 3.436 10 0 CGAERO C[N@@H+]1CC[C@@H](CNc2ccc(C(F)(F)F)cc2)C1 ZINC000054186819 523962391 /nfs/dbraw/zinc/96/23/91/523962391.db2.gz IDYZNZMVUHOKLA-JTQLQIEISA-N 1 0 258.287 3.069 10 0 CGAERO Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H](C)C3)o2)c1 ZINC000062639731 524123850 /nfs/dbraw/zinc/12/38/50/524123850.db2.gz GLEJATVNSQAGOF-ZDUSSCGKSA-N 1 0 271.364 3.277 10 0 CGAERO 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CCc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)OC)[nH]2)cc1 ZINC000093084565 529707009 /nfs/dbraw/zinc/70/70/09/529707009.db2.gz QJOPSBGISGFYQT-GFCCVEGCSA-N 1 0 286.375 3.215 10 0 CGAERO Cc1csc([C@@H](C)N[C@H](CC(C)C)C[NH+](C)C)n1 ZINC000623886903 349905602 /nfs/dbraw/zinc/90/56/02/349905602.db2.gz NPOAYHFLMUHONI-CHWSQXEVSA-N 1 0 269.458 3.078 10 0 CGAERO Cc1cccc(Cl)c1NC(=O)O[C@H]1CCC[N@@H+](C)C1 ZINC000002010845 344857460 /nfs/dbraw/zinc/85/74/60/344857460.db2.gz JWVJIHOQHASVCJ-NSHDSACASA-N 1 0 282.771 3.291 10 0 CGAERO C[C@H](C[NH+]1CCCC1)[C@](O)(c1ccccc1)c1ccccn1 ZINC000031554326 344926588 /nfs/dbraw/zinc/92/65/88/344926588.db2.gz VBTFCCSRDNNZLY-APWZRJJASA-N 1 0 296.414 3.049 10 0 CGAERO Oc1ccc(Cl)cc1C1=CC(c2ccccc2)=[NH+]CCN1 ZINC000032105015 344929464 /nfs/dbraw/zinc/92/94/64/344929464.db2.gz ZLYRJDGQIBWIDU-UHFFFAOYSA-N 1 0 298.773 3.479 10 0 CGAERO COc1cc(NCCCCCC[NH3+])c2nccc(C)c2c1 ZINC000032235247 344930122 /nfs/dbraw/zinc/93/01/22/344930122.db2.gz LIYVLKLZLGZUOQ-UHFFFAOYSA-N 1 0 287.407 3.483 10 0 CGAERO CCOC(=O)[C@H](C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000038438810 344955677 /nfs/dbraw/zinc/95/56/77/344955677.db2.gz XBLUQMFODZUKEJ-YCPHGPKFSA-N 1 0 275.392 3.269 10 0 CGAERO C[C@@H]1CNc2c(N)cccc2C[N@@H+]1Cc1ccccc1 ZINC000034403629 344939102 /nfs/dbraw/zinc/93/91/02/344939102.db2.gz HVLZIYYLDUKLBA-CYBMUJFWSA-N 1 0 267.376 3.085 10 0 CGAERO COc1ccc(C[C@H]([NH3+])c2ccc3c(c2)CCC3)cc1 ZINC000034939685 344941591 /nfs/dbraw/zinc/94/15/91/344941591.db2.gz GDVZZTITDQCYHC-SFHVURJKSA-N 1 0 267.372 3.426 10 0 CGAERO [NH3+]Cc1ccc(-c2ccc(I)cc2)o1 ZINC000036929587 344945791 /nfs/dbraw/zinc/94/57/91/344945791.db2.gz PUYXUBODMOCROX-UHFFFAOYSA-N 1 0 299.111 3.010 10 0 CGAERO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCSC1 ZINC000037099641 344947473 /nfs/dbraw/zinc/94/74/73/344947473.db2.gz XNLIHLZHLIZOHF-BBBLOLIVSA-N 1 0 253.333 3.203 10 0 CGAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC000037164340 344948209 /nfs/dbraw/zinc/94/82/09/344948209.db2.gz UBYIAEMXAGHNID-GHMZBOCLSA-N 1 0 274.191 3.387 10 0 CGAERO [NH2+]=C1CCCN1Cc1ccccc1Br ZINC000042435555 344983815 /nfs/dbraw/zinc/98/38/15/344983815.db2.gz UMERZXANLSUEFZ-UHFFFAOYSA-N 1 0 253.143 3.022 10 0 CGAERO C[NH2+][C@H]1c2cccc(Br)c2S[C@@H]1C ZINC000043636061 345002401 /nfs/dbraw/zinc/00/24/01/345002401.db2.gz FFQVYPTUHLOKHL-HZGVNTEJSA-N 1 0 258.184 3.204 10 0 CGAERO [NH3+][C@H](CCO)c1cc(Cl)cc(Cl)c1Cl ZINC000044232600 345006811 /nfs/dbraw/zinc/00/68/11/345006811.db2.gz LUFJYPVRFMXLEP-MRVPVSSYSA-N 1 0 254.544 3.029 10 0 CGAERO CC(C)(C)[C@H]([NH3+])Cc1cc(Br)cs1 ZINC000053819300 345125738 /nfs/dbraw/zinc/12/57/38/345125738.db2.gz ZEWRCUPWWUFPON-SECBINFHSA-N 1 0 262.216 3.427 10 0 CGAERO CC(C)C[C@H]([NH3+])[C@@H](O)c1c(Cl)cccc1Cl ZINC000054929629 345141174 /nfs/dbraw/zinc/14/11/74/345141174.db2.gz RSXZXAZKACNFPZ-CMPLNLGQSA-N 1 0 262.180 3.400 10 0 CGAERO C[NH2+][C@H](C)c1ccc(SC)c(Br)c1 ZINC000061700288 345231770 /nfs/dbraw/zinc/23/17/70/345231770.db2.gz RHUFGKMXEZJRIH-SSDOTTSWSA-N 1 0 260.200 3.451 10 0 CGAERO CC(C)(C)NC(=[NH2+])c1ccccc1Br ZINC000062994938 345242601 /nfs/dbraw/zinc/24/26/01/345242601.db2.gz WCJRXNCSYDMNBX-UHFFFAOYSA-N 1 0 255.159 3.163 10 0 CGAERO C[C@@H]([NH3+])[C@H](C)c1ncc(C(F)(F)F)cc1Cl ZINC000063028709 345243497 /nfs/dbraw/zinc/24/34/97/345243497.db2.gz CVXHVOJRHYGZOM-NTSWFWBYSA-N 1 0 252.667 3.205 10 0 CGAERO COc1ccc([C@@H](C)C[N@@H+]2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000188417615 542248127 /nfs/dbraw/zinc/24/81/27/542248127.db2.gz DLLGCRPMMXLUOD-DOTOQJQBSA-N 1 0 299.418 3.160 10 0 CGAERO CC[NH2+][C@@H]1COc2c1c(Br)ccc2Cl ZINC000069717526 345384401 /nfs/dbraw/zinc/38/44/01/345384401.db2.gz JEONREXWQASTBC-MRVPVSSYSA-N 1 0 276.561 3.146 10 0 CGAERO CC(C)CNC(=[NH2+])c1cc(Br)cs1 ZINC000070599557 345392620 /nfs/dbraw/zinc/39/26/20/345392620.db2.gz YWPFQBAYHCRPIG-UHFFFAOYSA-N 1 0 261.188 3.082 10 0 CGAERO CN(Cc1ccc(C(C)(C)C)cc1)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079544911 345645274 /nfs/dbraw/zinc/64/52/74/345645274.db2.gz WQYBLRPHHYVAMY-GOSISDBHSA-N 1 0 288.435 3.085 10 0 CGAERO CC(C)CC[N@H+](C)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000079832294 345655935 /nfs/dbraw/zinc/65/59/35/345655935.db2.gz MTRAJKYPUBPNTN-MRXNPFEDSA-N 1 0 299.842 3.195 10 0 CGAERO O[C@@H]1CCCC[C@@H]1C[NH2+]C(C1CCC1)C1CCC1 ZINC000306052840 201837562 /nfs/dbraw/zinc/83/75/62/201837562.db2.gz QAPPXHWFWUUMIF-HUUCEWRRSA-N 1 0 251.414 3.096 10 0 CGAERO CN(Cc1ccc(C(C)(C)C)cc1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091548217 345818383 /nfs/dbraw/zinc/81/83/83/345818383.db2.gz MURLDQCQTHZVCB-ZBFHGGJFSA-N 1 0 288.435 3.070 10 0 CGAERO Cc1cc([C@]2(C(F)(F)F)CC[NH2+]C2)cc(C)c1[N+](=O)[O-] ZINC000113153399 345959530 /nfs/dbraw/zinc/95/95/30/345959530.db2.gz RDYNCXYHJFVSMU-LBPRGKRZSA-N 1 0 288.269 3.005 10 0 CGAERO c1ccc(-c2ccc(O[C@H]3C[NH+]4CCC3CC4)cn2)cc1 ZINC000116231730 345976644 /nfs/dbraw/zinc/97/66/44/345976644.db2.gz UOXAHMAZBMSBFV-SFHVURJKSA-N 1 0 280.371 3.222 10 0 CGAERO COc1ccc([C@@H]2OCC[NH2+]C[C@@H]2c2ccccc2)cc1 ZINC000117607802 345985150 /nfs/dbraw/zinc/98/51/50/345985150.db2.gz ODYAKKJTFWFJCN-MSOLQXFVSA-N 1 0 283.371 3.140 10 0 CGAERO CCOC(=O)c1cc2cc(C[NH+](CC)CC)ccc2o1 ZINC000118438255 345989031 /nfs/dbraw/zinc/98/90/31/345989031.db2.gz JXSLWFYBGCBRHW-UHFFFAOYSA-N 1 0 275.348 3.451 10 0 CGAERO CC[C@@H]([NH3+])[C@@H](C)c1cc(Br)ccc1F ZINC000132292322 346071142 /nfs/dbraw/zinc/07/11/42/346071142.db2.gz LPIQQWSYSHOAHS-WRWORJQWSA-N 1 0 260.150 3.429 10 0 CGAERO C[NH2+]CCCSCCCC(F)(F)C(F)(F)F ZINC000136332062 346090715 /nfs/dbraw/zinc/09/07/15/346090715.db2.gz WJJPQJZQCKZMDG-UHFFFAOYSA-N 1 0 265.291 3.307 10 0 CGAERO CC(C)=C[C@H]([NH3+])c1ccccc1I ZINC000131157369 346063507 /nfs/dbraw/zinc/06/35/07/346063507.db2.gz CYQUEGKXFSUYCD-NSHDSACASA-N 1 0 287.144 3.257 10 0 CGAERO CC(C)(C)OC(=O)NCC[C@H]([NH3+])c1cccc(Cl)c1 ZINC000142866860 346112493 /nfs/dbraw/zinc/11/24/93/346112493.db2.gz ZFJQCQPXYORCMT-LBPRGKRZSA-N 1 0 284.787 3.255 10 0 CGAERO C[C@@H]1C[NH2+][C@H](c2ccc(Br)c(F)c2)S1 ZINC000161837596 346176471 /nfs/dbraw/zinc/17/64/71/346176471.db2.gz JTYFGACXVARTOL-LDWIPMOCSA-N 1 0 276.174 3.312 10 0 CGAERO CC(C)C[C@H]([NH3+])c1csc(I)c1 ZINC000168190508 346189679 /nfs/dbraw/zinc/18/96/79/346189679.db2.gz BANDDMWSSQWXFP-QMMMGPOBSA-N 1 0 295.189 3.399 10 0 CGAERO CC(C)C[C@@H]([NH3+])c1csc(I)c1 ZINC000168190616 346189955 /nfs/dbraw/zinc/18/99/55/346189955.db2.gz BANDDMWSSQWXFP-MRVPVSSYSA-N 1 0 295.189 3.399 10 0 CGAERO CN(C(=O)OC(C)(C)C)c1cccc([C@@H]2CC[NH2+]C2)c1 ZINC000218940254 346294398 /nfs/dbraw/zinc/29/43/98/346294398.db2.gz VCIHOCIREAWDOH-CYBMUJFWSA-N 1 0 276.380 3.135 10 0 CGAERO C[NH+](C)C[C@@H](Cc1ccccc1)[C@@H](O)c1ccccc1 ZINC000223781416 346301237 /nfs/dbraw/zinc/30/12/37/346301237.db2.gz MNLLUJDAMQVVJG-MSOLQXFVSA-N 1 0 269.388 3.141 10 0 CGAERO C[C@@H]([NH3+])C1(Cc2ccccc2Br)CC1 ZINC000235170118 346334333 /nfs/dbraw/zinc/33/43/33/346334333.db2.gz ULYAGSUNOMCGPP-SECBINFHSA-N 1 0 254.171 3.119 10 0 CGAERO C[C@@H](C[NH3+])c1ccc(Br)c(Cl)c1F ZINC000235150024 346334532 /nfs/dbraw/zinc/33/45/32/346334532.db2.gz WAWIRSILENGZML-YFKPBYRVSA-N 1 0 266.541 3.304 10 0 CGAERO C[NH2+]C[C@@H]1C[C@H]1c1cc(Br)c(C)s1 ZINC000227955355 346311652 /nfs/dbraw/zinc/31/16/52/346311652.db2.gz WZLRKVHNWZRQTK-JGVFFNPUSA-N 1 0 260.200 3.142 10 0 CGAERO C[NH2+]C[C@H]1C[C@@H]1c1cc(Br)c(C)s1 ZINC000227955346 346311929 /nfs/dbraw/zinc/31/19/29/346311929.db2.gz WZLRKVHNWZRQTK-SFYZADRCSA-N 1 0 260.200 3.142 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)C(=O)NC(C)(C)C ZINC000228968028 346316368 /nfs/dbraw/zinc/31/63/68/346316368.db2.gz BPILCJJGFMVUQU-GARJFASQSA-N 1 0 294.361 3.000 10 0 CGAERO CC[C@@H]1C[NH2+]CC[C@H]1c1occc1Br ZINC000229826003 346318316 /nfs/dbraw/zinc/31/83/16/346318316.db2.gz ZHLSQHIUHCPEFJ-RKDXNWHRSA-N 1 0 258.159 3.145 10 0 CGAERO c1ccc(C[NH2+]CCCOCOCc2ccccc2)cc1 ZINC000232469734 346326323 /nfs/dbraw/zinc/32/63/23/346326323.db2.gz KDEALBWWNCRYQI-UHFFFAOYSA-N 1 0 285.387 3.357 10 0 CGAERO [NH3+][C@H](CF)c1cc(Br)ccc1Br ZINC000238683744 346350152 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Cn1cccc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000093868436 165339341 /nfs/dbraw/zinc/33/93/41/165339341.db2.gz UQRCTSFVHKRHPH-WMZOPIPTSA-N 1 0 284.403 3.113 10 0 CGAERO CCN1CCC[C@@H]([NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000094519303 165353496 /nfs/dbraw/zinc/35/34/96/165353496.db2.gz QNPYSLZCGMNAML-QGZVFWFLSA-N 1 0 258.409 3.138 10 0 CGAERO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCO2)cc1F ZINC000094837602 165354577 /nfs/dbraw/zinc/35/45/77/165354577.db2.gz PNWRGLVGCCIKEN-JSGCOSHPSA-N 1 0 251.345 3.354 10 0 CGAERO CSCCC[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000173650055 165557045 /nfs/dbraw/zinc/55/70/45/165557045.db2.gz CJEKGFLQYNLEIM-LBPRGKRZSA-N 1 0 270.467 3.384 10 0 CGAERO C[C@@H]([C@H](C)NC(=O)C[C@@H]1CCC[C@H]1[NH3+])C1CCCCC1 ZINC000261841258 165837497 /nfs/dbraw/zinc/83/74/97/165837497.db2.gz UYSVFVIPAYFWMO-DARAHFNDSA-N 1 0 280.456 3.225 10 0 CGAERO CC(C)CC[C@@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)C(C)(C)C ZINC000115849521 287155469 /nfs/dbraw/zinc/15/54/69/287155469.db2.gz DMQIEXUNYJMZNX-HUUCEWRRSA-N 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NSYPKASBYLRUNW-HUUCEWRRSA-N 1 0 265.784 3.176 10 0 CGAERO Clc1ccc(OCC[NH2+]C[C@@H]2CCCO2)c(Cl)c1 ZINC000006240531 170184719 /nfs/dbraw/zinc/18/47/19/170184719.db2.gz FUQYXJBQTHAJKS-NSHDSACASA-N 1 0 290.190 3.141 10 0 CGAERO COc1ccc(CC[NH2+]C[C@@H]2C[C@@H]3C=C[C@H]2C3)cc1 ZINC000006560870 170213567 /nfs/dbraw/zinc/21/35/67/170213567.db2.gz RYIUNOZJOUDDSL-PMPSAXMXSA-N 1 0 257.377 3.040 10 0 CGAERO C[C@H]1CCC[N@H+](CC(=O)c2cn(C)c3ccccc23)C1 ZINC000009996349 170393389 /nfs/dbraw/zinc/39/33/89/170393389.db2.gz PKWUTBNPRJODPX-ZDUSSCGKSA-N 1 0 270.376 3.093 10 0 CGAERO COc1ccccc1C[C@H]([NH3+])Cc1ccccc1C ZINC000011600153 170425342 /nfs/dbraw/zinc/42/53/42/170425342.db2.gz YVSPULGIYGADQV-MRXNPFEDSA-N 1 0 255.361 3.116 10 0 CGAERO COc1ccc(C[C@H]([NH3+])Cc2cccc(Cl)c2)cc1 ZINC000011601117 170425999 /nfs/dbraw/zinc/42/59/99/170425999.db2.gz KMJFHLNZUNZUQP-HNNXBMFYSA-N 1 0 275.779 3.461 10 0 CGAERO C[C@H]1CCCC[N@@H+]1[C@@H]1CCCc2ccccc2[C@@H]1N ZINC000019257290 170759742 /nfs/dbraw/zinc/75/97/42/170759742.db2.gz DNIQSHHDXSILJA-XKQJLSEDSA-N 1 0 258.409 3.266 10 0 CGAERO CCC[NH+](CCC)[C@@H]1CCc2cc(OC)ccc2[C@H]1N ZINC000019387621 170779868 /nfs/dbraw/zinc/77/98/68/170779868.db2.gz VOQGFXTUIACZJV-IAGOWNOFSA-N 1 0 276.424 3.132 10 0 CGAERO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1)N(C)C ZINC000020145647 171031040 /nfs/dbraw/zinc/03/10/40/171031040.db2.gz VORHBVSLSGECOG-SWLSCSKDSA-N 1 0 252.377 3.063 10 0 CGAERO Cc1ccc([C@@H](C)[NH2+]C[C@H](C(C)C)N(C)C)s1 ZINC000020145867 171031905 /nfs/dbraw/zinc/03/19/05/171031905.db2.gz YKHMUOVMRAZWKY-CHWSQXEVSA-N 1 0 254.443 3.293 10 0 CGAERO Cc1ccc(C[NH2+]CCCOCc2ccco2)s1 ZINC000020147117 171033758 /nfs/dbraw/zinc/03/37/58/171033758.db2.gz UTXXRLBBLMRRNT-UHFFFAOYSA-N 1 0 265.378 3.346 10 0 CGAERO C[C@H]1CCCC[C@@H]1[NH2+]CCCOCc1ccco1 ZINC000020146975 171034007 /nfs/dbraw/zinc/03/40/07/171034007.db2.gz GMFGQZCYCWPIIR-ZFWWWQNUSA-N 1 0 251.370 3.355 10 0 CGAERO Cc1cccc([C@@H](CN)[N@H+](C)CCc2ccccc2)c1 ZINC000020225525 171088888 /nfs/dbraw/zinc/08/88/88/171088888.db2.gz UUFSLRPAVHQCRZ-GOSISDBHSA-N 1 0 268.404 3.169 10 0 CGAERO CCOc1cccc([C@@H](C[NH3+])N(C)CC(C)(C)C)c1 ZINC000020226210 171089868 /nfs/dbraw/zinc/08/98/68/171089868.db2.gz QBCFXWJIGXSLBN-OAHLLOKOSA-N 1 0 264.413 3.063 10 0 CGAERO [NH3+]C[C@H](c1cccc(Cl)c1Cl)N1CCSCC1 ZINC000020257144 171111684 /nfs/dbraw/zinc/11/16/84/171111684.db2.gz PFVXKPAOJCPVPW-LLVKDONJSA-N 1 0 291.247 3.042 10 0 CGAERO [NH3+][C@@H]1c2ccccc2CC[C@H]1Oc1ccccc1F ZINC000020262542 171119615 /nfs/dbraw/zinc/11/96/15/171119615.db2.gz UXBCSSFCHVJIIJ-HZPDHXFCSA-N 1 0 257.308 3.219 10 0 CGAERO CCc1cccc(O[C@@H]2Cc3ccccc3[C@@H]2[NH3+])c1 ZINC000020263160 171120452 /nfs/dbraw/zinc/12/04/52/171120452.db2.gz WKPSQLLXKDKZJT-SJORKVTESA-N 1 0 253.345 3.253 10 0 CGAERO CCCCCNC(=O)[C@@H](C)[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C ZINC000020366098 171164796 /nfs/dbraw/zinc/16/47/96/171164796.db2.gz IUKLMLLNIRANFR-BARDWOONSA-N 1 0 268.445 3.096 10 0 CGAERO [NH3+]CCCCCCc1nc2cc(Cl)ccc2[nH]1 ZINC000020374721 171170107 /nfs/dbraw/zinc/17/01/07/171170107.db2.gz TZVRDDBUYJMPJL-UHFFFAOYSA-N 1 0 251.761 3.278 10 0 CGAERO CC[NH+](CC)CCNc1ccc(F)cc1Br ZINC000020430870 171195678 /nfs/dbraw/zinc/19/56/78/171195678.db2.gz NBUCGZWJKRSMTI-UHFFFAOYSA-N 1 0 289.192 3.342 10 0 CGAERO c1coc([C@H]([NH2+]CCCn2ccnc2)c2ccccc2)c1 ZINC000020506174 171228090 /nfs/dbraw/zinc/22/80/90/171228090.db2.gz JQFMNRRSIKPSGZ-QGZVFWFLSA-N 1 0 281.359 3.245 10 0 CGAERO CCOc1ccc([C@@H]([NH3+])COC(C)(C)CC)cc1 ZINC000020511777 171230878 /nfs/dbraw/zinc/23/08/78/171230878.db2.gz OYROOEPSPVPNAC-AWEZNQCLSA-N 1 0 251.370 3.290 10 0 CGAERO Cc1cc2ncc([C@@H](C)[NH2+][C@H](C)C(C)C)c(C)n2n1 ZINC000020522540 171235420 /nfs/dbraw/zinc/23/54/20/171235420.db2.gz RQLDTXAMQVACGP-VXGBXAGGSA-N 1 0 260.385 3.041 10 0 CGAERO CN(Cc1cccc(F)c1)[C@@H](C[NH3+])C1CCCCC1 ZINC000020545700 171243483 /nfs/dbraw/zinc/24/34/83/171243483.db2.gz SKMZJFHUQGVAQN-INIZCTEOSA-N 1 0 264.388 3.165 10 0 CGAERO CCC[C@@H]([NH3+])[C@@H](CC)Oc1ccc(OCC)cc1 ZINC000021060900 171297077 /nfs/dbraw/zinc/29/70/77/171297077.db2.gz PVMHHWTUIDBJLP-HUUCEWRRSA-N 1 0 251.370 3.370 10 0 CGAERO CN(C)C1(C[NH2+]CC2CCCCC2)CCCCC1 ZINC000021501127 171305244 /nfs/dbraw/zinc/30/52/44/171305244.db2.gz VJSZQVXDEKBPFM-UHFFFAOYSA-N 1 0 252.446 3.421 10 0 CGAERO COCCO[C@H]1CCCCCCCCCC[C@@H]1[NH3+] ZINC000021817242 171332715 /nfs/dbraw/zinc/33/27/15/171332715.db2.gz DMBSPNCPHGDQQE-GJZGRUSLSA-N 1 0 257.418 3.260 10 0 CGAERO O[C@@H](c1ccccn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000021982475 171344741 /nfs/dbraw/zinc/34/47/41/171344741.db2.gz RRWYHCXSAMGVMY-GOSISDBHSA-N 1 0 282.387 3.027 10 0 CGAERO COc1ccc(CCN2Cc3ccccc3C2=[NH2+])cc1OC ZINC000021983097 171344963 /nfs/dbraw/zinc/34/49/63/171344963.db2.gz WVYNPMDWGWVDFB-UHFFFAOYSA-N 1 0 296.370 3.087 10 0 CGAERO Cc1ccc([C@@H](c2ccccc2)N2CC[NH2+]CC2)c(C)c1 ZINC000022126481 171354278 /nfs/dbraw/zinc/35/42/78/171354278.db2.gz JXSFAVUSPQWNTB-LJQANCHMSA-N 1 0 280.415 3.298 10 0 CGAERO Nc1cc(NC(=O)CCC[NH+]2CCCCCC2)ccc1F ZINC000022153169 171360034 /nfs/dbraw/zinc/36/00/34/171360034.db2.gz FZXDGYJHCUBCLV-UHFFFAOYSA-N 1 0 293.386 3.003 10 0 CGAERO Cc1c(N)cccc1NC(=O)CCC[NH+]1CCC(C)CC1 ZINC000022155533 171362353 /nfs/dbraw/zinc/36/23/53/171362353.db2.gz LRAOLGAAUJHRPR-UHFFFAOYSA-N 1 0 289.423 3.028 10 0 CGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCCC(=O)Nc1ccccc1N ZINC000022166690 171366057 /nfs/dbraw/zinc/36/60/57/171366057.db2.gz PSKYDYUUYHBLRZ-OKILXGFUSA-N 1 0 289.423 3.250 10 0 CGAERO C[C@@H]1C[C@@H]1c1ccc([C@@H](C[NH3+])N2CCCCCC2)o1 ZINC000022172364 171368497 /nfs/dbraw/zinc/36/84/97/171368497.db2.gz UYHKWWLUYHMWBD-HZSPNIEDSA-N 1 0 262.397 3.279 10 0 CGAERO Cc1cc(N)ccc1NC(=O)CC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000022173024 171368838 /nfs/dbraw/zinc/36/88/38/171368838.db2.gz KSSRYBZUZGBANL-KBPBESRZSA-N 1 0 289.423 3.169 10 0 CGAERO CN([C@H](C[NH3+])c1c(F)cccc1F)C1CCCCC1 ZINC000022178650 171371895 /nfs/dbraw/zinc/37/18/95/171371895.db2.gz FMAXIZSNZRSPMZ-CQSZACIVSA-N 1 0 268.351 3.229 10 0 CGAERO CCOc1ccccc1[C@@H](C[NH3+])N1C[C@H](C)C[C@@H](C)C1 ZINC000022219314 171377301 /nfs/dbraw/zinc/37/73/01/171377301.db2.gz BMBPIZPLSGZGKK-IIAWOOMASA-N 1 0 276.424 3.063 10 0 CGAERO C[C@H]([NH3+])c1ccc(NC(=O)c2cccc(F)c2)cc1 ZINC000022220738 171377603 /nfs/dbraw/zinc/37/76/03/171377603.db2.gz HZDXHOOYWXTNNP-JTQLQIEISA-N 1 0 258.296 3.098 10 0 CGAERO Cc1cc(C)n([C@@H]2C[C@@H](c3ccccc3)CC[C@@H]2[NH3+])n1 ZINC000023066302 171407562 /nfs/dbraw/zinc/40/75/62/171407562.db2.gz BLLIPYBEVHPAEY-YESZJQIVSA-N 1 0 269.392 3.336 10 0 CGAERO Cc1cc(OCCSC(N)=[NH2+])ccc1C(C)C ZINC000029334878 171594537 /nfs/dbraw/zinc/59/45/37/171594537.db2.gz ZNLADLGCKSNQME-UHFFFAOYSA-N 1 0 252.383 3.124 10 0 CGAERO CC[NH2+][C@@H](C)c1ccccc1Sc1nncs1 ZINC000034668981 171856074 /nfs/dbraw/zinc/85/60/74/171856074.db2.gz DBGCMAXCROGYAU-VIFPVBQESA-N 1 0 265.407 3.360 10 0 CGAERO CCC[NH2+][C@@H](C)c1cc(F)ccc1N1CCCC1 ZINC000034837283 171883102 /nfs/dbraw/zinc/88/31/02/171883102.db2.gz GQMURYUOSMNQPY-LBPRGKRZSA-N 1 0 250.361 3.487 10 0 CGAERO CCC[NH2+][C@@H](C)c1ccc(OCCOCC)cc1 ZINC000034842382 171885437 /nfs/dbraw/zinc/88/54/37/171885437.db2.gz RTHCLUQWYPLIKG-ZDUSSCGKSA-N 1 0 251.370 3.163 10 0 CGAERO Cc1cc(C)c(C)c(Oc2cc(C(N)=[NH2+])ccn2)c1 ZINC000034940045 171900055 /nfs/dbraw/zinc/90/00/55/171900055.db2.gz QACVHSAFAQRYNM-UHFFFAOYSA-N 1 0 255.321 3.083 10 0 CGAERO Cc1cc(Cl)ccc1N[C@H]1C[NH+]2CCC1CC2 ZINC000034956962 171902826 /nfs/dbraw/zinc/90/28/26/171902826.db2.gz FXIKUVHURHXHKH-AWEZNQCLSA-N 1 0 250.773 3.155 10 0 CGAERO C[N@H+](C1CCCCC1)[C@H]1CCc2ccccc2[C@@H]1N ZINC000035221387 172063706 /nfs/dbraw/zinc/06/37/06/172063706.db2.gz IRMQENGGNLOUGY-IRXDYDNUSA-N 1 0 258.409 3.266 10 0 CGAERO Cc1cc([C@@H]2C[NH2+]C[C@@H](c3ccccc3)O2)c(C)o1 ZINC000035285225 172103564 /nfs/dbraw/zinc/10/35/64/172103564.db2.gz XFSXXLWNDTWFBN-HOTGVXAUSA-N 1 0 257.333 3.299 10 0 CGAERO [NH3+][C@H](c1ccc(Br)o1)c1ccc2c(c1)CCO2 ZINC000035380963 172163004 /nfs/dbraw/zinc/16/30/04/172163004.db2.gz QSCHECLLBGDATK-ZDUSSCGKSA-N 1 0 294.148 3.025 10 0 CGAERO CCOc1ccc(Br)cc1[C@@H]([NH3+])c1ccoc1 ZINC000035382611 172165436 /nfs/dbraw/zinc/16/54/36/172165436.db2.gz KKMRQAPVBKOADW-ZDUSSCGKSA-N 1 0 296.164 3.489 10 0 CGAERO CCCCN(CC)c1nc2sccn2c1C[NH2+]CC ZINC000035429789 172198087 /nfs/dbraw/zinc/19/80/87/172198087.db2.gz XIGFDYOSUUSZLZ-UHFFFAOYSA-N 1 0 280.441 3.132 10 0 CGAERO C[NH2+][C@H](c1ccco1)c1ccc(OC)c(Cl)c1 ZINC000035461587 172209780 /nfs/dbraw/zinc/20/97/80/172209780.db2.gz RXIOILUPVOUUKR-ZDUSSCGKSA-N 1 0 251.713 3.250 10 0 CGAERO C[NH2+][C@@H](CCC(C)C)c1ccc(OC)c(OC)c1 ZINC000035463275 172210667 /nfs/dbraw/zinc/21/06/67/172210667.db2.gz QHHHZDJYUCDUFR-ZDUSSCGKSA-N 1 0 251.370 3.401 10 0 CGAERO C[NH2+][C@H](c1ccc(F)cc1)[C@@H]1Cc2ccccc2O1 ZINC000035463709 172211393 /nfs/dbraw/zinc/21/13/93/172211393.db2.gz JNAUIBPCZCYLFX-JKSUJKDBSA-N 1 0 257.308 3.090 10 0 CGAERO C[NH2+][C@@H](c1cccs1)c1cc(OC)ccc1OC ZINC000035466619 172214762 /nfs/dbraw/zinc/21/47/62/172214762.db2.gz HZKPGMHWDGOHNX-CQSZACIVSA-N 1 0 263.362 3.074 10 0 CGAERO C[NH2+][C@@H](CC(C)(C)C)c1ccc2c(c1)CCC(=O)N2 ZINC000035490509 172225088 /nfs/dbraw/zinc/22/50/88/172225088.db2.gz ABRZAMQRWLSRJW-AWEZNQCLSA-N 1 0 260.381 3.268 10 0 CGAERO C[NH2+][C@@H](Cc1ncc[nH]1)c1cc(Cl)cc(Cl)c1 ZINC000035504177 172237707 /nfs/dbraw/zinc/23/77/07/172237707.db2.gz SIZMWIIKGNJCAW-NSHDSACASA-N 1 0 270.163 3.220 10 0 CGAERO CC[NH2+][C@@H](c1cccs1)[C@@H]1Cc2ccccc2O1 ZINC000035545442 172253622 /nfs/dbraw/zinc/25/36/22/172253622.db2.gz OACNDGTXHNYIBJ-DZGCQCFKSA-N 1 0 259.374 3.402 10 0 CGAERO CC[NH2+][C@H](CC(F)(F)F)c1cc(F)ccc1OC ZINC000035554781 172260974 /nfs/dbraw/zinc/26/09/74/172260974.db2.gz ANFQVTRNDHVCSE-SNVBAGLBSA-N 1 0 265.250 3.437 10 0 CGAERO CCC[NH2+][C@@H](c1ccc(F)cc1F)[C@H]1CCCO1 ZINC000035582011 172279348 /nfs/dbraw/zinc/27/93/48/172279348.db2.gz WASGTRAYFREEAW-KGLIPLIRSA-N 1 0 255.308 3.185 10 0 CGAERO CCC[NH2+][C@H](c1ccc2[nH]c(=O)oc2c1)C(C)(C)C ZINC000035584504 172284116 /nfs/dbraw/zinc/28/41/16/172284116.db2.gz SENYVZRHWHKMLL-CYBMUJFWSA-N 1 0 262.353 3.208 10 0 CGAERO CCC[NH2+][C@@H](C)c1cc(C)ccc1OCCOC ZINC000035629808 172310914 /nfs/dbraw/zinc/31/09/14/172310914.db2.gz XTXDWNNWGVSNTD-ZDUSSCGKSA-N 1 0 251.370 3.081 10 0 CGAERO CCC[NH2+][C@H](C)c1ccccc1NC(=O)C1CCC1 ZINC000035644125 172322133 /nfs/dbraw/zinc/32/21/33/172322133.db2.gz RLCDVNKJRIVGCC-GFCCVEGCSA-N 1 0 260.381 3.486 10 0 CGAERO CCCOc1ccc2c(c1)[C@H]([NH2+]C1CC1)CCCO2 ZINC000035654106 172330607 /nfs/dbraw/zinc/33/06/07/172330607.db2.gz GJGIHUYQVLMAME-OAHLLOKOSA-N 1 0 261.365 3.441 10 0 CGAERO CC[NH2+][C@@H]1CCCOc2c(F)cc(Br)cc21 ZINC000035653856 172330721 /nfs/dbraw/zinc/33/07/21/172330721.db2.gz NKLAKZXRMAOMKQ-LLVKDONJSA-N 1 0 288.160 3.411 10 0 CGAERO CN(Cc1cccs1)[C@H](C[NH3+])c1c(F)cccc1F ZINC000035716975 172370791 /nfs/dbraw/zinc/37/07/91/172370791.db2.gz HIHWQMQELCWIQG-CYBMUJFWSA-N 1 0 282.359 3.158 10 0 CGAERO C[C@@H]1CCCC[C@@]1(C[NH3+])N(C)Cc1ccsc1 ZINC000035719031 172373363 /nfs/dbraw/zinc/37/33/63/172373363.db2.gz RVFWRTDHZLASSZ-OCCSQVGLSA-N 1 0 252.427 3.088 10 0 CGAERO [NH3+]Cc1ccc(F)c(CSCc2ccco2)c1 ZINC000035721805 172377390 /nfs/dbraw/zinc/37/73/90/172377390.db2.gz TUGNCYJKPUWQFJ-UHFFFAOYSA-N 1 0 251.326 3.311 10 0 CGAERO COc1cccc(SCc2cccc(C[NH3+])c2)c1 ZINC000035723245 172378938 /nfs/dbraw/zinc/37/89/38/172378938.db2.gz HIMXPRCNEZPBFN-UHFFFAOYSA-N 1 0 259.374 3.446 10 0 CGAERO C[NH2+]Cc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 ZINC000036282667 172574928 /nfs/dbraw/zinc/57/49/28/172574928.db2.gz PYBPCDALHVOZSX-UHFFFAOYSA-N 1 0 288.778 3.241 10 0 CGAERO Cc1ccc(-c2c[nH]c(CCCCC[NH3+])n2)c(C)c1 ZINC000036876726 172772183 /nfs/dbraw/zinc/77/21/83/172772183.db2.gz PWMHDGHOFVXNMP-UHFFFAOYSA-N 1 0 257.381 3.365 10 0 CGAERO CCC[C@H]([NH3+])c1cc2c(cc1Cl)OCCCO2 ZINC000036926082 172808293 /nfs/dbraw/zinc/80/82/93/172808293.db2.gz FMWDQIUVQUXHTQ-NSHDSACASA-N 1 0 255.745 3.301 10 0 CGAERO CC[C@@H](C)c1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000037015128 172874353 /nfs/dbraw/zinc/87/43/53/172874353.db2.gz BUAXSSYTFMYVJS-OCCSQVGLSA-N 1 0 260.381 3.138 10 0 CGAERO C[C@H](Nc1ccc2c(c1)CCC2)[C@@H]1CCC[N@H+](C)C1 ZINC000037209622 173031313 /nfs/dbraw/zinc/03/13/13/173031313.db2.gz INXDAAPWBTUOHL-XJKSGUPXSA-N 1 0 258.409 3.318 10 0 CGAERO CCCc1ccc(NC(=O)[C@@H]2CCC[C@@H](C)[NH2+]2)cc1 ZINC000037287550 173093644 /nfs/dbraw/zinc/09/36/44/173093644.db2.gz DQGFIPOZIOFORM-DOMZBBRYSA-N 1 0 260.381 3.108 10 0 CGAERO [NH3+][C@H](c1cnn(-c2ccccc2)c1)c1ccccc1F ZINC000037308953 173111798 /nfs/dbraw/zinc/11/17/98/173111798.db2.gz HNIJCZBXZKFGEH-MRXNPFEDSA-N 1 0 267.307 3.060 10 0 CGAERO O=C1CCC[C@H]1[NH+]1CCC(Cc2ccccc2)CC1 ZINC000037333770 173135804 /nfs/dbraw/zinc/13/58/04/173135804.db2.gz GIXYYVWQXWPQNJ-MRXNPFEDSA-N 1 0 257.377 3.063 10 0 CGAERO C[C@@H](C(=O)c1ccc(F)c(F)c1)[N@@H+](C)[C@@H](C)C1CC1 ZINC000037338945 173140303 /nfs/dbraw/zinc/14/03/03/173140303.db2.gz HJBVMUXKOYYFPY-UWVGGRQHSA-N 1 0 267.319 3.266 10 0 CGAERO [NH3+][C@H](Cc1ccccc1)c1ccc2c(c1)CCCC(=O)N2 ZINC000037371309 173160720 /nfs/dbraw/zinc/16/07/20/173160720.db2.gz UQRHMDWVEBJHOR-MRXNPFEDSA-N 1 0 280.371 3.204 10 0 CGAERO CCCC[C@@H]([NH3+])c1nc2cc(Cl)ccc2n1C ZINC000037440213 173210047 /nfs/dbraw/zinc/21/00/47/173210047.db2.gz JTZWIDVHOOEJPD-SNVBAGLBSA-N 1 0 251.761 3.417 10 0 CGAERO Cn1c([C@H]([NH3+])C(C)(C)C)nc2cccc(Cl)c21 ZINC000037443513 173212281 /nfs/dbraw/zinc/21/22/81/173212281.db2.gz MHJCPMBDJIARHW-NSHDSACASA-N 1 0 251.761 3.273 10 0 CGAERO [NH3+]C1(Cc2ccc(Br)cc2)CCCC1 ZINC000037463444 173225650 /nfs/dbraw/zinc/22/56/50/173225650.db2.gz COQPTLMGNCEZOQ-UHFFFAOYSA-N 1 0 254.171 3.263 10 0 CGAERO CC(C)C[C@@H]([NH3+])Cc1ccc(Br)cc1 ZINC000037466267 173226550 /nfs/dbraw/zinc/22/65/50/173226550.db2.gz FNELUCOVAGRGJR-GFCCVEGCSA-N 1 0 256.187 3.365 10 0 CGAERO C[NH2+][C@H](Cc1ccc(Br)cc1)C(C)C ZINC000037467404 173226921 /nfs/dbraw/zinc/22/69/21/173226921.db2.gz QDDBGTRKBMFEHL-GFCCVEGCSA-N 1 0 256.187 3.236 10 0 CGAERO CCC[NH2+][C@@H](c1cccnc1)c1cccc(OC)c1 ZINC000037534616 173254329 /nfs/dbraw/zinc/25/43/29/173254329.db2.gz VCDWSHAMGBIGQU-MRXNPFEDSA-N 1 0 256.349 3.179 10 0 CGAERO C[NH2+][C@H](Cc1ccccc1Br)C[C@@H]1CCCO1 ZINC000037535098 173254551 /nfs/dbraw/zinc/25/45/51/173254551.db2.gz AXJWLYSXKFRLMS-OLZOCXBDSA-N 1 0 298.224 3.149 10 0 CGAERO C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000037635676 173583520 /nfs/dbraw/zinc/58/35/20/173583520.db2.gz VPGJKKGVSXGAMO-SECBINFHSA-N 1 0 278.705 3.157 10 0 CGAERO CCC[C@@](C)([NH3+])C(=O)N1CCC[C@H]1C1CCCCC1 ZINC000037816745 173766100 /nfs/dbraw/zinc/76/61/00/173766100.db2.gz ORBRJEGEVMQZHY-GOEBONIOSA-N 1 0 266.429 3.075 10 0 CGAERO Cc1ccc([C@H](C)N(C)C(=O)CC[NH2+]C(C)(C)C)s1 ZINC000037822055 173776286 /nfs/dbraw/zinc/77/62/86/173776286.db2.gz XNYITSZVMSMGDK-LBPRGKRZSA-N 1 0 282.453 3.354 10 0 CGAERO CCC[NH2+][C@H](C)[C@H](C)Cc1ccc(OC)c(F)c1 ZINC000037949566 173889856 /nfs/dbraw/zinc/88/98/56/173889856.db2.gz BGWRVJXQSDWQEO-VXGBXAGGSA-N 1 0 253.361 3.401 10 0 CGAERO COC(=O)CC[NH2+]Cc1sc2ccccc2c1Cl ZINC000037979382 173937986 /nfs/dbraw/zinc/93/79/86/173937986.db2.gz KYUCYACJTCFPGO-UHFFFAOYSA-N 1 0 283.780 3.207 10 0 CGAERO [NH3+][C@H](c1nnc2ccc(C(F)(F)F)cn21)C1CCCCC1 ZINC000038036911 174036583 /nfs/dbraw/zinc/03/65/83/174036583.db2.gz RWWZFNMCAYZXAG-LBPRGKRZSA-N 1 0 298.312 3.328 10 0 CGAERO C[NH2+][C@@H](c1ccc(C)o1)c1ccc2c(c1)CCCO2 ZINC000038057894 174068182 /nfs/dbraw/zinc/06/81/82/174068182.db2.gz JFZXTMCWYQCXNZ-MRXNPFEDSA-N 1 0 257.333 3.222 10 0 CGAERO C[C@@H]1CCC[C@H](C)N1[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000039789057 174173363 /nfs/dbraw/zinc/17/33/63/174173363.db2.gz WHNDCFSIBZUVBT-ZOWXZIJZSA-N 1 0 250.361 3.088 10 0 CGAERO Brc1ccc2[nH]cc([C@H]3CCC[NH2+]3)c2c1 ZINC000040538244 174321557 /nfs/dbraw/zinc/32/15/57/174321557.db2.gz OUZWLXDRBQEOKZ-LLVKDONJSA-N 1 0 265.154 3.355 10 0 CGAERO Nc1c(Nc2cc[nH+]cc2)ncnc1NC1CCCCCC1 ZINC000040687680 174375879 /nfs/dbraw/zinc/37/58/79/174375879.db2.gz JCTVQUIUUASINP-UHFFFAOYSA-N 1 0 298.394 3.332 10 0 CGAERO Nc1c(Nc2cc[nH+]cc2)ncnc1Sc1ccccc1 ZINC000040687609 174376045 /nfs/dbraw/zinc/37/60/45/174376045.db2.gz NZPREUYZFQLQQP-UHFFFAOYSA-N 1 0 295.371 3.349 10 0 CGAERO CC(C)Oc1ccc2ccccc2c1C[NH2+]C[C@@H](C)O ZINC000040743929 174391644 /nfs/dbraw/zinc/39/16/44/174391644.db2.gz UPYMZBKFFFQFSW-CYBMUJFWSA-N 1 0 273.376 3.097 10 0 CGAERO CC(C)C[C@@H](C[NH3+])N(Cc1cccs1)C1CC1 ZINC000042515457 174766879 /nfs/dbraw/zinc/76/68/79/174766879.db2.gz QGPSNIMTZJJGTO-ZDUSSCGKSA-N 1 0 252.427 3.086 10 0 CGAERO CC[C@@H](C)[N@H+](CCOC)Cc1ccc(Cl)c(N)c1 ZINC000042562094 174797683 /nfs/dbraw/zinc/79/76/83/174797683.db2.gz VMTKZOFFZUQDJI-LLVKDONJSA-N 1 0 270.804 3.169 10 0 CGAERO CCCCC[C@@H](C)[NH2+][C@H](C)C(=O)NCCC(C)C ZINC000042570353 174800059 /nfs/dbraw/zinc/80/00/59/174800059.db2.gz XNVABPGDXPVTOQ-ZIAGYGMSSA-N 1 0 256.434 3.096 10 0 CGAERO CCCN(C[C@H]([NH3+])c1ccccc1C)CC(F)(F)F ZINC000042762902 174867542 /nfs/dbraw/zinc/86/75/42/174867542.db2.gz OEHGVYFMNZSRAU-ZDUSSCGKSA-N 1 0 274.330 3.269 10 0 CGAERO COc1ccc(O[C@H](c2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000042903369 174906470 /nfs/dbraw/zinc/90/64/70/174906470.db2.gz HTCWGBFLDOUFOI-WBMJQRKESA-N 1 0 257.333 3.163 10 0 CGAERO CC[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)N1CCSCC1 ZINC000042944688 174919980 /nfs/dbraw/zinc/91/99/80/174919980.db2.gz URBSHPVPHTXJQL-KBPBESRZSA-N 1 0 284.856 3.167 10 0 CGAERO COC(=O)CCS[C@H](c1cccc(Cl)c1)[C@H](C)[NH3+] ZINC000043019513 174944478 /nfs/dbraw/zinc/94/44/78/174944478.db2.gz ZOIFRLZORIRDAN-ZANVPECISA-N 1 0 287.812 3.025 10 0 CGAERO CC[C@H]([NH3+])[C@H](c1ccccc1C)n1nc(C)cc1C ZINC000043037772 174952665 /nfs/dbraw/zinc/95/26/65/174952665.db2.gz BXXPXYLKMKXJQY-HOTGVXAUSA-N 1 0 257.381 3.135 10 0 CGAERO CC[C@@H]([NH3+])[C@@H](SCCOC)c1ccccc1C ZINC000043041581 174953681 /nfs/dbraw/zinc/95/36/81/174953681.db2.gz HDIYXWDLTZIGCI-KGLIPLIRSA-N 1 0 253.411 3.153 10 0 CGAERO CC[C@@H]([NH3+])[C@H](OC[C@@H]1CCCO1)c1ccccc1Cl ZINC000043087552 174963452 /nfs/dbraw/zinc/96/34/52/174963452.db2.gz DNWMMTUEYNBUOW-NILFDRSVSA-N 1 0 283.799 3.314 10 0 CGAERO COc1ccccc1[C@H](Oc1ccccc1)[C@H](C)[NH3+] ZINC000043099224 174967229 /nfs/dbraw/zinc/96/72/29/174967229.db2.gz 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CC[N@@H+](Cc1ccc(C)cc1)C[C@@H]1CCC[C@@H](O)C1 ZINC000659856684 419014538 /nfs/dbraw/zinc/01/45/38/419014538.db2.gz GOVKMCKVBCNBPH-IAGOWNOFSA-N 1 0 261.409 3.368 10 0 CGAERO CC1(C)CCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CC(C)(C)C1 ZINC000659357274 418979637 /nfs/dbraw/zinc/97/96/37/418979637.db2.gz GHAFHHHHDZPOMF-KBPBESRZSA-N 1 0 280.456 3.036 10 0 CGAERO CO[C@@H](C[NH2+][C@H](C)c1cc(F)ccc1F)C1CCC1 ZINC000660178620 419094761 /nfs/dbraw/zinc/09/47/61/419094761.db2.gz GEAPFNZYWNSCHE-BMIGLBTASA-N 1 0 269.335 3.431 10 0 CGAERO O[C@@H]1CCC[C@@H]([NH2+]C2CCC(C3CCC3)CC2)C1 ZINC000657325042 419250726 /nfs/dbraw/zinc/25/07/26/419250726.db2.gz FPAPFMPHZFKYGN-QDIHITRGSA-N 1 0 251.414 3.238 10 0 CGAERO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc2n1CCC2 ZINC000657500166 419295298 /nfs/dbraw/zinc/29/52/98/419295298.db2.gz IIUBMOJKFQMWLC-NEPJUHHUSA-N 1 0 287.329 3.040 10 0 CGAERO C[C@@H]1COC[C@@H](C)[NH+]1CCSCc1ccccc1 ZINC000192600569 228167319 /nfs/dbraw/zinc/16/73/19/228167319.db2.gz SMPIMZICMJHQKX-ZIAGYGMSSA-N 1 0 265.422 3.029 10 0 CGAERO C[C@@H](COCc1ccccc1)[NH2+][C@@H]1CCCSCC1 ZINC000657891234 419413759 /nfs/dbraw/zinc/41/37/59/419413759.db2.gz HCTJLXJDAXOBNS-GOEBONIOSA-N 1 0 279.449 3.467 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C(C)(C)C)C1(CO)CC1 ZINC000658161681 419622265 /nfs/dbraw/zinc/62/22/65/419622265.db2.gz UCDPPJMWEKNLDX-BFHYXJOUSA-N 1 0 253.430 3.342 10 0 CGAERO CCn1nc(C)c([C@@H](C)[NH2+]C[C@]2(C)CC2(F)F)c1C ZINC000658220586 419673154 /nfs/dbraw/zinc/67/31/54/419673154.db2.gz QPJIFDDVZQSIEJ-RNCFNFMXSA-N 1 0 271.355 3.216 10 0 CGAERO Cc1c([C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)cnn1C(C)(C)C ZINC000191167325 287588351 /nfs/dbraw/zinc/58/83/51/287588351.db2.gz FQROTFAKOKUQAL-ZOWXZIJZSA-N 1 0 279.428 3.165 10 0 CGAERO c1ccc2c(c1)OC[C@@H]2[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000193292564 287606823 /nfs/dbraw/zinc/60/68/23/287606823.db2.gz IKAWBRLEKHIRFU-KRWDZBQOSA-N 1 0 295.382 3.277 10 0 CGAERO C=Cn1cc(C[NH2+][C@@H](C)c2cccc(-n3ccnc3)c2)cn1 ZINC000194346784 287614672 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CC(C)CCC[NH2+][C@H]1CCN(CCc2ccccc2)C1 ZINC000040671515 270029879 /nfs/dbraw/zinc/02/98/79/270029879.db2.gz SKSDWGYJHHTCGR-SFHVURJKSA-N 1 0 274.452 3.329 10 0 CGAERO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1nnc(C(C)C)n1C ZINC000191831886 270076359 /nfs/dbraw/zinc/07/63/59/270076359.db2.gz MOPABYZNKVUVLI-ZIAGYGMSSA-N 1 0 278.444 3.387 10 0 CGAERO CCCC1CCC([NH2+][C@H]2CCCC[C@@H]2CO)CC1 ZINC000219007259 270085800 /nfs/dbraw/zinc/08/58/00/270085800.db2.gz QNOFUBCKODYGNX-KNIAUWFNSA-N 1 0 253.430 3.486 10 0 CGAERO CCC1(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CCCC1 ZINC000224719479 270086678 /nfs/dbraw/zinc/08/66/78/270086678.db2.gz CVRNINMRFHUJFU-MJBXVCDLSA-N 1 0 251.414 3.360 10 0 CGAERO c1n[nH]cc1[C@@H]1CCCC[N@H+]1CC1=Cc2ccccc2OC1 ZINC000093438224 275075180 /nfs/dbraw/zinc/07/51/80/275075180.db2.gz ZIDINBCOIGKYNM-KRWDZBQOSA-N 1 0 295.386 3.413 10 0 CGAERO CCCC1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000251241980 287832797 /nfs/dbraw/zinc/83/27/97/287832797.db2.gz ADKQMYOBGDMEQP-AEFXTWNNSA-N 1 0 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ZINC000061894178 522101869 /nfs/dbraw/zinc/10/18/69/522101869.db2.gz ZOZDIRIXVBGNKG-UHFFFAOYSA-N 1 0 279.384 3.332 10 0 CGAERO C[NH2+]Cc1ccccc1CN(C)c1ccccc1F ZINC000052543147 522132879 /nfs/dbraw/zinc/13/28/79/522132879.db2.gz YURSNCKOBDEITH-UHFFFAOYSA-N 1 0 258.340 3.182 10 0 CGAERO C[NH2+]Cc1csc(-c2c(F)cccc2Cl)n1 ZINC000052903515 522149293 /nfs/dbraw/zinc/14/92/93/522149293.db2.gz QCMFVYMHOJHILW-UHFFFAOYSA-N 1 0 256.733 3.322 10 0 CGAERO C[NH2+]Cc1sc(N2CCC[C@@H]2C)nc1C(C)(C)C ZINC000054968903 522166892 /nfs/dbraw/zinc/16/68/92/522166892.db2.gz VPIQUAMYGJTFSR-JTQLQIEISA-N 1 0 267.442 3.149 10 0 CGAERO C[NH2+][C@@H](Cc1csc(C)n1)Cc1cc(C)ccc1C ZINC000055295072 522361844 /nfs/dbraw/zinc/36/18/44/522361844.db2.gz XNQSLIIADNBZFH-OAHLLOKOSA-N 1 0 274.433 3.442 10 0 CGAERO C[NH2+][C@@H]1CCCC[C@@H]1CCCOCC(F)(F)F ZINC000049312860 522378009 /nfs/dbraw/zinc/37/80/09/522378009.db2.gz ZPXBYISAQHCBEK-GHMZBOCLSA-N 1 0 253.308 3.124 10 0 CGAERO C[NH2+][C@H](C)c1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000054717767 522444690 /nfs/dbraw/zinc/44/46/90/522444690.db2.gz OGDFDIZOXFVHCB-SNVBAGLBSA-N 1 0 277.799 3.482 10 0 CGAERO C[NH2+][C@H](C)c1ccc(F)cc1OCC(F)(F)F ZINC000062746587 522447292 /nfs/dbraw/zinc/44/72/92/522447292.db2.gz AMOUUZKNKYVHMT-SSDOTTSWSA-N 1 0 251.223 3.047 10 0 CGAERO C[NH2+][C@H](CC1CCOCC1)C1(c2ccccc2)CC1 ZINC000062781346 522458122 /nfs/dbraw/zinc/45/81/22/522458122.db2.gz LQOCYHUZZLPKJD-MRXNPFEDSA-N 1 0 259.393 3.123 10 0 CGAERO C[NH2+][C@H](CC1CCOCC1)C(C)(C)c1ccccc1 ZINC000062773476 522460206 /nfs/dbraw/zinc/46/02/06/522460206.db2.gz WTJQDEDJEPNZHU-MRXNPFEDSA-N 1 0 261.409 3.369 10 0 CGAERO CC[C@@H](CC(N)=S)[NH+]1CCC2(CCCCC2)CC1 ZINC000061820020 522488874 /nfs/dbraw/zinc/48/88/74/522488874.db2.gz DCLMQFMKZPMUOL-ZDUSSCGKSA-N 1 0 268.470 3.488 10 0 CGAERO C[NH2+][C@H]1CCCCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000055232136 522490594 /nfs/dbraw/zinc/49/05/94/522490594.db2.gz YMGPDJNXVWBWCJ-KBPBESRZSA-N 1 0 261.365 3.094 10 0 CGAERO CCc1nc2ccccc2n1[C@H]1CCCCC[C@@H]1[NH3+] ZINC000062807596 522507870 /nfs/dbraw/zinc/50/78/70/522507870.db2.gz WXFSPQFIIYLEQA-JSGCOSHPSA-N 1 0 257.381 3.431 10 0 CGAERO CC[C@@H](C[NH2+]CCOC)Cc1c(C)cc(C)cc1C ZINC000054663676 522547979 /nfs/dbraw/zinc/54/79/79/522547979.db2.gz GLIJRNUSYFSNQS-MRXNPFEDSA-N 1 0 263.425 3.417 10 0 CGAERO CC[C@H]1CCCCN1c1ccc(Cl)cc1C(N)=[NH2+] ZINC000052860023 523032677 /nfs/dbraw/zinc/03/26/77/523032677.db2.gz HHSBCOZVBVVQKJ-NSHDSACASA-N 1 0 265.788 3.393 10 0 CGAERO CC[C@@H]1CC[C@H]([NH3+])[C@H](Oc2cccc(F)c2F)C1 ZINC000062614171 523367871 /nfs/dbraw/zinc/36/78/71/523367871.db2.gz HIHCDKYZHYMUHU-SUZMYJTESA-N 1 0 255.308 3.250 10 0 CGAERO COCCC[NH2+]CCOc1cc(C)ccc1C(C)C ZINC000048071751 523374002 /nfs/dbraw/zinc/37/40/02/523374002.db2.gz OBIGHVVHAKAYRS-UHFFFAOYSA-N 1 0 265.397 3.123 10 0 CGAERO CN(c1ccc(F)cc1C[NH2+]C(C)(C)C)C1CC1 ZINC000062735116 523638445 /nfs/dbraw/zinc/63/84/45/523638445.db2.gz STDTVSXVVJUJMR-UHFFFAOYSA-N 1 0 250.361 3.312 10 0 CGAERO C[N@@H+]1CCCC[C@H]1CNc1cccc2c1CCCC2 ZINC000054239639 523800920 /nfs/dbraw/zinc/80/09/20/523800920.db2.gz VWSWIBDHGADYQU-HNNXBMFYSA-N 1 0 258.409 3.462 10 0 CGAERO COc1ccc(C)cc1[C@@H]([NH3+])c1cc(C)ccc1F ZINC000052982575 523854722 /nfs/dbraw/zinc/85/47/22/523854722.db2.gz RFDZVUSMSKRRIJ-INIZCTEOSA-N 1 0 259.324 3.499 10 0 CGAERO COCC[NH2+]C[C@H](Cc1ccc(F)cc1F)C(C)C ZINC000054663225 523943509 /nfs/dbraw/zinc/94/35/09/523943509.db2.gz DKIBKCASDNGWOE-ZDUSSCGKSA-N 1 0 271.351 3.016 10 0 CGAERO COCCOc1ccc(C[NH2+]C(C)(C)C)cc1Cl ZINC000062730201 524044679 /nfs/dbraw/zinc/04/46/79/524044679.db2.gz MQRCRUGXLJXJGB-UHFFFAOYSA-N 1 0 271.788 3.253 10 0 CGAERO CCc1cccc(C)c1N1CC[C@H](C[NH2+]C(C)C)C1 ZINC000053010564 524062223 /nfs/dbraw/zinc/06/22/23/524062223.db2.gz SFIVJUFWNXBWLF-OAHLLOKOSA-N 1 0 260.425 3.382 10 0 CGAERO C[C@@H]1CCC[C@@H](CC[N@@H+]2CC[C@H](c3cnn(C)c3)C2)C1 ZINC000151539874 524282891 /nfs/dbraw/zinc/28/28/91/524282891.db2.gz KXIWKKRPEHGYFS-PMPSAXMXSA-N 1 0 275.440 3.426 10 0 CGAERO Cc1ccc(CN(C)[C@H](C[NH2+]C(C)(C)C)C(C)C)o1 ZINC000052455579 524401895 /nfs/dbraw/zinc/40/18/95/524401895.db2.gz UWGJIEFTJSDOAA-OAHLLOKOSA-N 1 0 266.429 3.433 10 0 CGAERO COc1ccc(N[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000061566347 524705779 /nfs/dbraw/zinc/70/57/79/524705779.db2.gz GHSJMMBDHRVXCY-WOSRLPQWSA-N 1 0 262.397 3.144 10 0 CGAERO C[C@H]([NH3+])c1cnc(N(C)Cc2ccccc2Cl)s1 ZINC000054898746 524868429 /nfs/dbraw/zinc/86/84/29/524868429.db2.gz PCHFCZDZWUIBJL-VIFPVBQESA-N 1 0 281.812 3.453 10 0 CGAERO C[C@H]([NH2+]C[C@H]1CCC[C@@H]1O)c1ccc(Br)cc1 ZINC000089162077 525415297 /nfs/dbraw/zinc/41/52/97/525415297.db2.gz YVMFRHPPJVQDMO-SUHUHFCYSA-N 1 0 298.224 3.261 10 0 CGAERO Cc1ccc(OCc2ccoc2C[NH2+]C2CC2)cc1 ZINC000052649526 525445614 /nfs/dbraw/zinc/44/56/14/525445614.db2.gz JACKRPLOLNXTKL-UHFFFAOYSA-N 1 0 257.333 3.419 10 0 CGAERO O[C@H](C[NH2+]CCC1=CCCCC1)c1cc(F)ccc1F ZINC000048330779 526276961 /nfs/dbraw/zinc/27/69/61/526276961.db2.gz LCJRJRHZPMUKNC-MRXNPFEDSA-N 1 0 281.346 3.478 10 0 CGAERO c1ccc(C[N@@H+]2CCCN[C@@H](c3ccccc3)C2)cc1 ZINC000062662907 526468693 /nfs/dbraw/zinc/46/86/93/526468693.db2.gz AQAHHBHCOUSOQA-GOSISDBHSA-N 1 0 266.388 3.223 10 0 CGAERO c1ccc2c(c1)CCC[C@H]2C[NH2+]CC1CCOCC1 ZINC000107912901 526503715 /nfs/dbraw/zinc/50/37/15/526503715.db2.gz PMKOTVXLZHDIQG-INIZCTEOSA-N 1 0 259.393 3.123 10 0 CGAERO c1cn(-c2ccc(C[NH2+]C3CC3)cc2)nc1C1CC1 ZINC000052884806 526523309 /nfs/dbraw/zinc/52/33/09/526523309.db2.gz YMQPYUKSCBPFBI-UHFFFAOYSA-N 1 0 253.349 3.002 10 0 CGAERO Cc1nc(C)c([C@H](C)NC2=[NH+]C(C)(C)CS2)s1 ZINC000049534251 526751778 /nfs/dbraw/zinc/75/17/78/526751778.db2.gz OKDMZNLOOFDHIK-QMMMGPOBSA-N 1 0 269.439 3.292 10 0 CGAERO Cc1nc(C23CC4CC(CC(C4)C2)C3)sc1C[NH3+] ZINC000055270767 526769944 /nfs/dbraw/zinc/76/99/44/526769944.db2.gz KKQPWAAZLPPNFU-UHFFFAOYSA-N 1 0 262.422 3.378 10 0 CGAERO Clc1ccc(Cc2noc([C@@H]3CC[NH2+]C3)n2)cc1Cl ZINC000062119794 526953294 /nfs/dbraw/zinc/95/32/94/526953294.db2.gz AGLHHCGYCTYUSL-SECBINFHSA-N 1 0 298.173 3.044 10 0 CGAERO Cc1nc(N(CC(C)C)C(C)C)sc1[C@H](C)[NH3+] ZINC000054898308 526953443 /nfs/dbraw/zinc/95/34/43/526953443.db2.gz YFHNZFYHQNDGNU-JTQLQIEISA-N 1 0 255.431 3.342 10 0 CGAERO Cc1nc(N2CC[C@@H]3CCCC[C@@H]3C2)sc1[C@@H](C)[NH3+] ZINC000054896047 526972509 /nfs/dbraw/zinc/97/25/09/526972509.db2.gz DKXFYOGKZKSYGU-KGYLQXTDSA-N 1 0 279.453 3.488 10 0 CGAERO [NH3+]Cc1sc2ccccc2c1COC[C@H]1CCCO1 ZINC000052626148 527268603 /nfs/dbraw/zinc/26/86/03/527268603.db2.gz KYKPKXBSYZZEJM-LLVKDONJSA-N 1 0 277.389 3.056 10 0 CGAERO [NH3+][C@@H]1CCCc2nc(-c3ccc(F)cc3F)sc21 ZINC000055266018 527361433 /nfs/dbraw/zinc/36/14/33/527361433.db2.gz HXPISZHOSVAPFU-SNVBAGLBSA-N 1 0 266.316 3.424 10 0 CGAERO [NH3+][C@H](c1ccc(F)cc1)c1cccc2cccnc21 ZINC000061413495 527390953 /nfs/dbraw/zinc/39/09/53/527390953.db2.gz BLZMXQDUWZZRAZ-OAHLLOKOSA-N 1 0 252.292 3.422 10 0 CGAERO [NH3+][C@H](c1ccc(Br)s1)[C@@H]1CCCCO1 ZINC000050962972 527391612 /nfs/dbraw/zinc/39/16/12/527391612.db2.gz PNVIUSGJPVODSM-XVKPBYJWSA-N 1 0 276.199 3.080 10 0 CGAERO [NH3+][C@H]1CCCCC[C@@H]1n1cc(-c2ccccc2)cn1 ZINC000054961274 527395184 /nfs/dbraw/zinc/39/51/84/527395184.db2.gz UDMIJNLNSOQIJE-HOTGVXAUSA-N 1 0 255.365 3.383 10 0 CGAERO [NH3+][C@H]1CCCC[C@H]1c1ccccc1Br ZINC000062625257 527397216 /nfs/dbraw/zinc/39/72/16/527397216.db2.gz OHDSMFSLLPRGKH-JQWIXIFHSA-N 1 0 254.171 3.434 10 0 CGAERO Nc1[nH+]c2ccc(F)c(F)c2n1Cc1ccsc1 ZINC000063153799 527560649 /nfs/dbraw/zinc/56/06/49/527560649.db2.gz WPUNBTYSLDLFSL-UHFFFAOYSA-N 1 0 265.288 3.007 10 0 CGAERO FC(F)(F)c1ccccc1N1CC[C@H](C[NH2+]C2CC2)C1 ZINC000053010972 527686929 /nfs/dbraw/zinc/68/69/29/527686929.db2.gz UNVAQMVLTUBRPD-LLVKDONJSA-N 1 0 284.325 3.284 10 0 CGAERO CC1(C)Cc2cccc(C[NH2+][C@H]3CCCC[C@@H]3CO)c2O1 ZINC000152350206 527777494 /nfs/dbraw/zinc/77/74/94/527777494.db2.gz ZGHCBPKSNZKMAW-CVEARBPZSA-N 1 0 289.419 3.041 10 0 CGAERO CCCC[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccccc1 ZINC000367707702 528993151 /nfs/dbraw/zinc/99/31/51/528993151.db2.gz MOUUJZMWMQHDMD-NXOAAHMSSA-N 1 0 259.393 3.400 10 0 CGAERO CC[C@@H]([NH2+]CCn1cncn1)c1ccc(Cl)cc1Cl ZINC000358080493 529172158 /nfs/dbraw/zinc/17/21/58/529172158.db2.gz IXUWIZGVZXVEOB-CYBMUJFWSA-N 1 0 299.205 3.326 10 0 CGAERO CC[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccc(Cl)cc1 ZINC000368493341 529177703 /nfs/dbraw/zinc/17/77/03/529177703.db2.gz BBWVJHJMBSRBQW-APIJFGDWSA-N 1 0 265.784 3.273 10 0 CGAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1c1c(F)cccc1F ZINC000083510458 535825164 /nfs/dbraw/zinc/82/51/64/535825164.db2.gz VNUCQXQSZPECIM-BXUZGUMPSA-N 1 0 268.351 3.178 10 0 CGAERO CC[C@@H]1C[NH2+][C@@H](C)CN1c1ccc(C)cc1Cl ZINC000083394308 535825384 /nfs/dbraw/zinc/82/53/84/535825384.db2.gz QTYDXLPNGXXTTM-NWDGAFQWSA-N 1 0 252.789 3.225 10 0 CGAERO CCn1nccc1C[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000127572448 535869407 /nfs/dbraw/zinc/86/94/07/535869407.db2.gz JXQSVOROALNREE-ZDUSSCGKSA-N 1 0 290.436 3.048 10 0 CGAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000094646841 571940124 /nfs/dbraw/zinc/94/01/24/571940124.db2.gz DHMZQHJPDQIUDU-SKDRFNHKSA-N 1 0 286.297 3.032 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1ccc(Cl)cc1 ZINC000217636145 572395819 /nfs/dbraw/zinc/39/58/19/572395819.db2.gz IAJPIQAZNDALOF-ZLKJLUDKSA-N 1 0 253.773 3.294 10 0 CGAERO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1ccc(Cl)s1 ZINC000217647858 572395834 /nfs/dbraw/zinc/39/58/34/572395834.db2.gz JHVNTWSCGPHTQL-LPEHRKFASA-N 1 0 259.802 3.356 10 0 CGAERO CCc1ccc(NC(=O)[C@H]2CCc3nc(C)[nH]c3C2)cc1 ZINC000220590349 572427741 /nfs/dbraw/zinc/42/77/41/572427741.db2.gz CMFVINMRPMWCGU-ZDUSSCGKSA-N 1 0 283.375 3.024 10 0 CGAERO CCC[NH2+]C[C@H]1CCN(c2ccc(N3CCCC3)cc2)C1 ZINC000062996600 602692660 /nfs/dbraw/zinc/69/26/60/602692660.db2.gz BWIOTZDLJQPLLM-MRXNPFEDSA-N 1 0 287.451 3.113 10 0 CGAERO C[N@H+](C[C@H](O)c1ccc2ccccc2c1)CC1CC1 ZINC000042248096 620712379 /nfs/dbraw/zinc/71/23/79/620712379.db2.gz NSYIGYGULBHUHD-KRWDZBQOSA-N 1 0 255.361 3.215 10 0 CGAERO Clc1ccc(SCc2noc([C@@H]3CCC[NH2+]3)n2)cc1 ZINC000090244170 617614335 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C[C@@H]1C[NH2+]C[C@H]1c1nc(C(C2CCC2)C2CCC2)no1 ZINC000312427334 619073999 /nfs/dbraw/zinc/07/39/99/619073999.db2.gz VAWWZKDUQFUVJR-ZWNOBZJWSA-N 1 0 275.396 3.076 10 0 CGAERO Cc1cscc1-c1noc([C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000094862932 619264052 /nfs/dbraw/zinc/26/40/52/619264052.db2.gz LGBLMANRUXWFMW-GHMZBOCLSA-N 1 0 277.393 3.339 10 0 CGAERO O[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000250843580 620370886 /nfs/dbraw/zinc/37/08/86/620370886.db2.gz MOFVPRHATBAJBR-YIDVYQOGSA-N 1 0 251.414 3.096 10 0 CGAERO CCc1ccc([C@@H](C)Nc2cc(C)[nH+]c(N)n2)cc1 ZINC000045724116 622892545 /nfs/dbraw/zinc/89/25/45/622892545.db2.gz IZPPZBPGLQPBDB-LLVKDONJSA-N 1 0 256.353 3.103 10 0 CGAERO CC(C)C[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000230393730 623236285 /nfs/dbraw/zinc/23/62/85/623236285.db2.gz AAIOSJWZUYUDIV-ZIAGYGMSSA-N 1 0 284.444 3.268 10 0 CGAERO C[C@H](CC1CCC1)[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000230412578 623240692 /nfs/dbraw/zinc/24/06/92/623240692.db2.gz 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/nfs/dbraw/zinc/62/15/38/630621538.db2.gz KPSFVVMOZKZZKN-UHFFFAOYSA-N 1 0 257.308 3.115 10 0 CGAERO C[C@@H](c1nc(CC(C)(C)C)no1)[C@H]([NH3+])c1ccccc1 ZINC000129612703 636321491 /nfs/dbraw/zinc/32/14/91/636321491.db2.gz IIJGJYORQVEHAG-RISCZKNCSA-N 1 0 273.380 3.462 10 0 CGAERO C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1ncc[nH]1 ZINC000138914904 637682394 /nfs/dbraw/zinc/68/23/94/637682394.db2.gz IVXRBPZRKBQWQG-XNWIYYODSA-N 1 0 261.291 3.181 10 0 CGAERO C[C@H](CC[NH2+]Cc1ccccc1F)NC(=O)OC(C)(C)C ZINC000222084782 637774029 /nfs/dbraw/zinc/77/40/29/637774029.db2.gz CDZVIIYJBNDCIP-GFCCVEGCSA-N 1 0 296.386 3.219 10 0 CGAERO CCCCCC[C@@H](CC)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000116749133 639140218 /nfs/dbraw/zinc/14/02/18/639140218.db2.gz JWDPXSAOCRVGKK-CABCVRRESA-N 1 0 268.445 3.146 10 0 CGAERO CCCCC[C@@H](NC(=O)[C@H]1CCC[NH2+]C1)C(C)(C)C ZINC000160075057 640087488 /nfs/dbraw/zinc/08/74/88/640087488.db2.gz REXPRQGHBXZOSR-UONOGXRCSA-N 1 0 268.445 3.097 10 0 CGAERO CCC1CCC(c2noc([C@]3(C)CC[NH2+]C3)n2)CC1 ZINC000087933387 640613466 /nfs/dbraw/zinc/61/34/66/640613466.db2.gz MTNBHWMDCRLWRQ-KOHJWAIASA-N 1 0 263.385 3.004 10 0 CGAERO [NH3+]C[C@@H]1CCCC[C@H]1c1nc(-c2cccs2)no1 ZINC000089383347 640642472 /nfs/dbraw/zinc/64/24/72/640642472.db2.gz NUPCYBLZIFIMQX-VHSXEESVSA-N 1 0 263.366 3.031 10 0 CGAERO CN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089391113 640644479 /nfs/dbraw/zinc/64/44/79/640644479.db2.gz YFQKUFPHJJVYGS-UKRRQHHQSA-N 1 0 294.826 3.064 10 0 CGAERO C[C@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)c1ccc(C(C)(C)C)cc1 ZINC000092951658 640752760 /nfs/dbraw/zinc/75/27/60/640752760.db2.gz PIDQSDRVSXKJNU-XEZPLFJOSA-N 1 0 288.435 3.159 10 0 CGAERO Cc1ccccc1[C@@H]([NH2+][C@H]1CCN(C)C1)c1ccccc1 ZINC000093248844 640763439 /nfs/dbraw/zinc/76/34/39/640763439.db2.gz JWQGGXLYWORSCH-HKUYNNGSSA-N 1 0 280.415 3.378 10 0 CGAERO Cc1cc2ncn(C[N@@H+]3CCO[C@@H]4CCCC[C@H]43)c2cc1C ZINC000249711016 640805704 /nfs/dbraw/zinc/80/57/04/640805704.db2.gz VTJZJSWFUBITTG-SJLPKXTDSA-N 1 0 299.418 3.254 10 0 CGAERO CC[C@H]1CN(C/C(C)=C\c2ccco2)CC[N@@H+]1C(C)C ZINC000096851144 640840699 /nfs/dbraw/zinc/84/06/99/640840699.db2.gz CLDGWVZNMUUTOI-QZFKAFNDSA-N 1 0 276.424 3.488 10 0 CGAERO [NH3+][C@@H]1CC[C@H](c2nc(Cc3c(F)cccc3Cl)no2)C1 ZINC000097068291 640854987 /nfs/dbraw/zinc/85/49/87/640854987.db2.gz JVLCEEJJPNYBQT-DTWKUNHWSA-N 1 0 295.745 3.048 10 0 CGAERO CC[N@@H+]1CC[C@H](N(C)C(=O)/C(C)=C\C(C)(C)C)[C@H](C)C1 ZINC000588503106 799703748 /nfs/dbraw/zinc/70/37/48/799703748.db2.gz GWRXFCXBVWHIHY-ZDZFUCEFSA-N 1 0 280.456 3.168 10 0 CGAERO CCc1ccc([C@@H]2CCCC[N@@H+]2CCC2OCCO2)o1 ZINC000124410790 187136412 /nfs/dbraw/zinc/13/64/12/187136412.db2.gz OVXOPXTZSGDZIE-AWEZNQCLSA-N 1 0 279.380 3.132 10 0 CGAERO C[NH2+]Cc1sc(Cc2ccccc2)nc1C1CC1 ZINC000082435333 178013001 /nfs/dbraw/zinc/01/30/01/178013001.db2.gz JQQSHPAVAHCOIP-UHFFFAOYSA-N 1 0 258.390 3.331 10 0 CGAERO CCC[NH2+]Cc1sc(CSC)nc1C1CC1 ZINC000082436061 178013213 /nfs/dbraw/zinc/01/32/13/178013213.db2.gz RQTSDDDEXCXTSS-UHFFFAOYSA-N 1 0 256.440 3.383 10 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Cc1cc([C@H](O)[C@@H]2CCC[NH2+]C2)c(C)cc1Br ZINC000083159116 178345176 /nfs/dbraw/zinc/34/51/76/178345176.db2.gz HUHRQEJAZHDPHA-BXUZGUMPSA-N 1 0 298.224 3.099 10 0 CGAERO c1ccc(CN2CCC[C@@]3(C2)CCCCC[NH2+]3)cc1 ZINC000096884937 185120468 /nfs/dbraw/zinc/12/04/68/185120468.db2.gz OFPUEADITUVQRM-QGZVFWFLSA-N 1 0 258.409 3.185 10 0 CGAERO COc1cc(C(C)(C)CC[NH3+])c(OC)cc1C(C)C ZINC000096889950 185123591 /nfs/dbraw/zinc/12/35/91/185123591.db2.gz NXMJZSJVMKJAFP-UHFFFAOYSA-N 1 0 265.397 3.454 10 0 CGAERO COc1cc([C@H](CC[NH3+])C(C)C)c(OC)cc1Cl ZINC000096889216 185124002 /nfs/dbraw/zinc/12/40/02/185124002.db2.gz IHXJHTFJJIRPJD-SNVBAGLBSA-N 1 0 271.788 3.446 10 0 CGAERO CC(C)[NH2+]C[C@@H](O)c1ccc(SC(C)C)cc1 ZINC000096891031 185124757 /nfs/dbraw/zinc/12/47/57/185124757.db2.gz ULGGKFVATMXZPA-CQSZACIVSA-N 1 0 253.411 3.219 10 0 CGAERO CC[NH2+][C@H](C)C(=O)c1ccc(SC(C)C)cc1 ZINC000096891011 185125076 /nfs/dbraw/zinc/12/50/76/185125076.db2.gz HDZYSVDIDLTWFR-LLVKDONJSA-N 1 0 251.395 3.368 10 0 CGAERO Cn1ccnc1C[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000126157437 187220516 /nfs/dbraw/zinc/22/05/16/187220516.db2.gz BPPFEQHCQTZQEP-INIZCTEOSA-N 1 0 269.392 3.223 10 0 CGAERO Cn1ccnc1C[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000126157651 187220602 /nfs/dbraw/zinc/22/06/02/187220602.db2.gz BPPFEQHCQTZQEP-MRXNPFEDSA-N 1 0 269.392 3.223 10 0 CGAERO CCC(CC)[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400454606 282215156 /nfs/dbraw/zinc/21/51/56/282215156.db2.gz RZHOVJLYYFWCLR-QWHCGFSZSA-N 1 0 284.444 3.410 10 0 CGAERO Fc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000188412276 542247254 /nfs/dbraw/zinc/24/72/54/542247254.db2.gz YAZPDSZDLMNSQB-CQSZACIVSA-N 1 0 293.773 3.340 10 0 CGAERO CCO[C@@H](c1cccc2ccccc21)C1=[NH+]CCCN1 ZINC000005860894 344862950 /nfs/dbraw/zinc/86/29/50/344862950.db2.gz PKKRHRYCPUGUDD-INIZCTEOSA-N 1 0 268.360 3.309 10 0 CGAERO C[C@H](O)c1ccc(OCC2CC[NH+](CC3CC3)CC2)cc1 ZINC000013730027 344880857 /nfs/dbraw/zinc/88/08/57/344880857.db2.gz GTKCLGFNNRQQBP-AWEZNQCLSA-N 1 0 289.419 3.241 10 0 CGAERO Cc1cc(C)c2ncc([C@H](O)[C@@H]3CCCC[NH2+]3)cc2c1 ZINC000032229387 344930583 /nfs/dbraw/zinc/93/05/83/344930583.db2.gz ARNXTTWDERQAAT-RDJZCZTQSA-N 1 0 270.376 3.027 10 0 CGAERO CC(C)C[C@H](NC(=O)C1CCC([NH3+])CC1)c1ccccc1 ZINC000037628745 344952134 /nfs/dbraw/zinc/95/21/34/344952134.db2.gz YZOFXHCYVVYXJJ-JCYILVPMSA-N 1 0 288.435 3.408 10 0 CGAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NC1CCC(C(C)(C)CC)CC1 ZINC000037005724 344946382 /nfs/dbraw/zinc/94/63/82/344946382.db2.gz PCDTZEVRLWZOON-VXGQWTEUSA-N 1 0 282.472 3.471 10 0 CGAERO [NH3+][C@@H](c1cc(Cl)sc1Cl)[C@H]1CCCO1 ZINC000037379154 344949905 /nfs/dbraw/zinc/94/99/05/344949905.db2.gz QEAVGZGNTZPXNX-SVRRBLITSA-N 1 0 252.166 3.234 10 0 CGAERO C[NH2+][C@@H]1c2cc(Br)ccc2S[C@H]1C ZINC000043642046 345002181 /nfs/dbraw/zinc/00/21/81/345002181.db2.gz IAQBPVDNGMEVPU-WKEGUHRASA-N 1 0 258.184 3.204 10 0 CGAERO CC[C@@H](C)N(Cc1ccccc1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307707 345132283 /nfs/dbraw/zinc/13/22/83/345132283.db2.gz PTPALZZZTVCITR-NVXWUHKLSA-N 1 0 288.435 3.203 10 0 CGAERO [NH3+][C@@H](Cc1ccccc1)[C@H](O)c1cccc2ccccc21 ZINC000054686257 345137838 /nfs/dbraw/zinc/13/78/38/345137838.db2.gz BLAYHGKTCJOSFP-RBUKOAKNSA-N 1 0 277.367 3.443 10 0 CGAERO O=C(C[C@H]1CN(Cc2ccccc2)CCO1)c1ccccc1 ZINC000060105311 345211026 /nfs/dbraw/zinc/21/10/26/345211026.db2.gz BHDOXAWOKHQWBT-SFHVURJKSA-N 1 0 295.382 3.160 10 0 CGAERO C[NH2+][C@H]1CCCC[C@H]1c1occc1Br ZINC000068983349 345370024 /nfs/dbraw/zinc/37/00/24/345370024.db2.gz SRRMDDOVLAQFAQ-SCZZXKLOSA-N 1 0 258.159 3.288 10 0 CGAERO CC[C@H]1CC[NH2+][C@@H](c2occc2Br)C1 ZINC000069940737 345386791 /nfs/dbraw/zinc/38/67/91/345386791.db2.gz QBKUSKPJUFBOTM-WCBMZHEXSA-N 1 0 258.159 3.493 10 0 CGAERO C[C@@H]1SCC[NH2+][C@@H]1c1ccc(Br)cc1 ZINC000070587989 345392095 /nfs/dbraw/zinc/39/20/95/345392095.db2.gz UQCZUQLNFCGEEY-KWQFWETISA-N 1 0 272.211 3.215 10 0 CGAERO [NH2+]=C1CCCCN1Cc1cc(Br)cs1 ZINC000070600641 345392738 /nfs/dbraw/zinc/39/27/38/345392738.db2.gz OXORBWLPXLBLSJ-UHFFFAOYSA-N 1 0 273.199 3.474 10 0 CGAERO [NH3+][C@H]1CC[C@@H](Cc2ccc(Br)s2)C1 ZINC000070741209 345393980 /nfs/dbraw/zinc/39/39/80/345393980.db2.gz SFBYWFWTDOSVHA-SFYZADRCSA-N 1 0 260.200 3.181 10 0 CGAERO CCC[C@H]1CN(Cc2ccccc2)[C@@H](CCC)C[NH2+]1 ZINC000082935714 345723595 /nfs/dbraw/zinc/72/35/95/345723595.db2.gz GEGXGIRNSQWECW-IRXDYDNUSA-N 1 0 260.425 3.429 10 0 CGAERO [NH3+][C@H]1CC[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000097092274 345906617 /nfs/dbraw/zinc/90/66/17/345906617.db2.gz CLXWBUZDLWHEGY-XCBNKYQSSA-N 1 0 273.163 3.059 10 0 CGAERO Cc1ccc(O)c(C[NH2+][C@@H](C)c2cc(F)ccc2F)n1 ZINC000112716499 345958418 /nfs/dbraw/zinc/95/84/18/345958418.db2.gz DHKOYZHTSQHUBW-JTQLQIEISA-N 1 0 278.302 3.225 10 0 CGAERO CC[C@@]1(c2cccc(-c3cccnc3)c2)N=C(C)C(=N)N1 ZINC000114869281 345967503 /nfs/dbraw/zinc/96/75/03/345967503.db2.gz GRJWZPJMTVMJSW-QGZVFWFLSA-N 1 0 278.359 3.143 10 0 CGAERO Cc1[nH+]c(N)ccc1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000143839741 346115421 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RUCQNQQBIZPZDP-IBGZPJMESA-N 1 0 280.415 3.298 10 0 CGAERO C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(N)cc1Cl ZINC000022152759 171359788 /nfs/dbraw/zinc/35/97/88/171359788.db2.gz LRYLJNCNSGBOCG-NSHDSACASA-N 1 0 295.814 3.125 10 0 CGAERO Cc1cc(N)ccc1NC(=O)CCC[N@H+]1CCC[C@@H](C)C1 ZINC000022152979 171360233 /nfs/dbraw/zinc/36/02/33/171360233.db2.gz OECHAAKFSYSOTD-CYBMUJFWSA-N 1 0 289.423 3.028 10 0 CGAERO C[C@@H]([NH3+])c1ccccc1NC(=O)Nc1ccccc1F ZINC000022165169 171365056 /nfs/dbraw/zinc/36/50/56/171365056.db2.gz OCNXPOKKWNDZRB-SNVBAGLBSA-N 1 0 273.311 3.489 10 0 CGAERO N[C@H]1c2ccccc2CCC[C@H]1[NH+]1CCCCCC1 ZINC000023066676 171407899 /nfs/dbraw/zinc/40/78/99/171407899.db2.gz GHTZBVYZPDEUIT-SJORKVTESA-N 1 0 258.409 3.267 10 0 CGAERO CC1CCN(C[C@@H]([NH3+])c2cccc(C(F)(F)F)c2)CC1 ZINC000023067944 171408541 /nfs/dbraw/zinc/40/85/41/171408541.db2.gz YLJXECZYSQWTBD-CQSZACIVSA-N 1 0 286.341 3.437 10 0 CGAERO CC(C)Oc1ccccc1[C@@H](O)C[NH2+]C1CCCC1 ZINC000032113176 171706434 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COC(=O)[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C)C(C)C ZINC000035346560 172138874 /nfs/dbraw/zinc/13/88/74/172138874.db2.gz DRJPNEWYFWPIHA-MJBXVCDLSA-N 1 0 269.429 3.379 10 0 CGAERO COc1ccc([C@@H]([NH3+])c2ccoc2C)cc1Cl ZINC000035381614 172164086 /nfs/dbraw/zinc/16/40/86/172164086.db2.gz NQBHRKCSKPAMGG-CYBMUJFWSA-N 1 0 251.713 3.298 10 0 CGAERO COc1ccc([C@H]([NH3+])c2sccc2C)cc1F ZINC000035424408 172192319 /nfs/dbraw/zinc/19/23/19/172192319.db2.gz ULTPIIGTXLKPFT-LBPRGKRZSA-N 1 0 251.326 3.252 10 0 CGAERO C[C@H]([NH3+])c1ccc2ccccc2c1OC[C@H]1CCCO1 ZINC000035427316 172194682 /nfs/dbraw/zinc/19/46/82/172194682.db2.gz FIOSOWNAABKTSC-GXTWGEPZSA-N 1 0 271.360 3.417 10 0 CGAERO C[NH2+][C@@H](c1ccsc1)c1ccc(OC)c(OC)c1 ZINC000035463070 172210740 /nfs/dbraw/zinc/21/07/40/172210740.db2.gz GEZNOXCTESZSIF-CQSZACIVSA-N 1 0 263.362 3.074 10 0 CGAERO C[NH2+][C@@H](c1cccs1)c1ccc(OC)c(OC)c1 ZINC000035463129 172210932 /nfs/dbraw/zinc/21/09/32/172210932.db2.gz KMKNSYHTZMZXBP-CQSZACIVSA-N 1 0 263.362 3.074 10 0 CGAERO C[NH2+][C@@H](CC(F)(F)F)c1ccc2c(c1)C[C@@H](C)O2 ZINC000035505310 172238170 /nfs/dbraw/zinc/23/81/70/172238170.db2.gz OYPAEEMJQJYMKR-KCJUWKMLSA-N 1 0 259.271 3.223 10 0 CGAERO C[NH2+][C@H](c1ccoc1C)c1ccc2c(c1)C[C@H](C)O2 ZINC000035504457 172238624 /nfs/dbraw/zinc/23/86/24/172238624.db2.gz CWTCJCSPFSVUJJ-QFYYESIMSA-N 1 0 257.333 3.220 10 0 CGAERO CCCC[C@@H]([NH2+]C)c1cc2c(cc1Cl)NC(=O)C2 ZINC000035507102 172239807 /nfs/dbraw/zinc/23/98/07/172239807.db2.gz DKARJAKJDRZEBT-GFCCVEGCSA-N 1 0 266.772 3.285 10 0 CGAERO CC[NH2+][C@H](CC(C)C)c1ccc(OC)c(OC)c1 ZINC000035539572 172245302 /nfs/dbraw/zinc/24/53/02/172245302.db2.gz MGTRWFVRUSNCEL-CYBMUJFWSA-N 1 0 251.370 3.401 10 0 CGAERO CC[NH2+][C@H](c1ccc(OC)c(OC)c1)[C@@H](C)CC ZINC000035539544 172245457 /nfs/dbraw/zinc/24/54/57/172245457.db2.gz YEJGPLFAFWGDNA-NHYWBVRUSA-N 1 0 251.370 3.401 10 0 CGAERO CC[NH2+][C@H](c1ccc(OC)cc1)c1ccc2c(c1)CCO2 ZINC000035542441 172249926 /nfs/dbraw/zinc/24/99/26/172249926.db2.gz RBBQGJJMOGPYBE-GOSISDBHSA-N 1 0 283.371 3.329 10 0 CGAERO CC[NH2+][C@@H](c1ccc(OC)cc1OC)[C@H](C)CC ZINC000035546077 172254365 /nfs/dbraw/zinc/25/43/65/172254365.db2.gz MHMAKUZSNMRIBR-IAQYHMDHSA-N 1 0 251.370 3.401 10 0 CGAERO CC[NH2+][C@@H](Cc1ncc[nH]1)C[C@@H](C)CC(C)(C)C ZINC000035570088 172265000 /nfs/dbraw/zinc/26/50/00/172265000.db2.gz CTBDPOQIXQDKGR-CHWSQXEVSA-N 1 0 251.418 3.393 10 0 CGAERO CC[NH2+][C@H](Cc1ncc[nH]1)c1cc(Cl)ccc1F ZINC000035570195 172265332 /nfs/dbraw/zinc/26/53/32/172265332.db2.gz CDKCLBWMUYNKHS-GFCCVEGCSA-N 1 0 267.735 3.096 10 0 CGAERO C[NH2+]Cc1cc(Cl)cc(Cl)c1OC[C@@H]1CCCO1 ZINC000035661956 172339776 /nfs/dbraw/zinc/33/97/76/172339776.db2.gz NBFZABGFMJBGHR-NSHDSACASA-N 1 0 290.190 3.271 10 0 CGAERO C[C@@H]1CCCC[C@@]1(C[NH3+])N(C)Cc1cccs1 ZINC000035717171 172371031 /nfs/dbraw/zinc/37/10/31/172371031.db2.gz WKCPCXKCBCCONK-OCCSQVGLSA-N 1 0 252.427 3.088 10 0 CGAERO [NH3+]Cc1cccnc1Oc1ccccc1Br ZINC000035719778 172374120 /nfs/dbraw/zinc/37/41/20/172374120.db2.gz XXLCVJOOIBNDHA-UHFFFAOYSA-N 1 0 279.137 3.095 10 0 CGAERO [NH3+]Cc1ccnc(Sc2nc3ccccc3s2)c1 ZINC000035719985 172374836 /nfs/dbraw/zinc/37/48/36/172374836.db2.gz BBQBLHSJCHHWJJ-UHFFFAOYSA-N 1 0 273.386 3.301 10 0 CGAERO COc1cc([C@@H](C)[NH2+][C@H](C)c2ccco2)ccc1O ZINC000035738867 172392582 /nfs/dbraw/zinc/39/25/82/172392582.db2.gz QFRLJHAEXOBUGI-GHMZBOCLSA-N 1 0 261.321 3.406 10 0 CGAERO C[NH2+][C@@H]1c2cccc(Br)c2SC[C@@H]1C ZINC000035762758 172402614 /nfs/dbraw/zinc/40/26/14/172402614.db2.gz VVPGPECBPVIAOJ-XVKPBYJWSA-N 1 0 272.211 3.451 10 0 CGAERO Brc1ccc(CC2CC[NH2+]CC2)s1 ZINC000036173145 172493271 /nfs/dbraw/zinc/49/32/71/172493271.db2.gz SFSAPUFJCGDLQP-UHFFFAOYSA-N 1 0 260.200 3.053 10 0 CGAERO Cc1ccccc1[C@@H]([NH3+])CN1c2ccccc2C[C@@H]1C ZINC000036664865 172645797 /nfs/dbraw/zinc/64/57/97/172645797.db2.gz XEOGWLJLCCHGDD-YOEHRIQHSA-N 1 0 266.388 3.446 10 0 CGAERO CC(C)[C@H](C)N(C)[C@@H](C[NH3+])c1ccccc1Br ZINC000036786948 172705614 /nfs/dbraw/zinc/70/56/14/172705614.db2.gz VMQJLMJNYZTKEJ-FZMZJTMJSA-N 1 0 299.256 3.425 10 0 CGAERO Cc1cnn(C)c1C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000285630262 196350003 /nfs/dbraw/zinc/35/00/03/196350003.db2.gz ZXVPWAJBZHBKPP-CQSZACIVSA-N 1 0 257.381 3.196 10 0 CGAERO CC(C)c1ccc([C@H](C[NH3+])N(C)[C@@H]2CCSC2)cc1 ZINC000037174501 173008871 /nfs/dbraw/zinc/00/88/71/173008871.db2.gz OPVZWLCVAKOQCC-CVEARBPZSA-N 1 0 278.465 3.247 10 0 CGAERO CC[NH+]1CCC([C@@H](C)Nc2cccc(F)c2)CC1 ZINC000037209856 173031934 /nfs/dbraw/zinc/03/19/34/173031934.db2.gz CXXNPMCPIQTHLE-GFCCVEGCSA-N 1 0 250.361 3.358 10 0 CGAERO C[C@@H]1CCCC[C@H]1OC(=O)Nc1ccc(C[NH3+])cc1 ZINC000037222921 173042886 /nfs/dbraw/zinc/04/28/86/173042886.db2.gz ZPMHEKCLOLYZGO-BXUZGUMPSA-N 1 0 262.353 3.273 10 0 CGAERO Cc1cc(C)c([C@@H](C)[NH2+]C2CCN(C)CC2)c(C)c1 ZINC000037267107 173077445 /nfs/dbraw/zinc/07/74/45/173077445.db2.gz YYFPMWXZPJJXJH-OAHLLOKOSA-N 1 0 260.425 3.357 10 0 CGAERO CO[C@@H]1CCCC[C@@H]1Nc1ccccc1C[NH+](C)C ZINC000037320575 173121393 /nfs/dbraw/zinc/12/13/93/173121393.db2.gz ZYTSVMRFOSFDJL-JKSUJKDBSA-N 1 0 262.397 3.118 10 0 CGAERO C[C@@H]1CCCC[N@@H+]1CCCNc1cccc(F)c1N ZINC000037419208 173196312 /nfs/dbraw/zinc/19/63/12/173196312.db2.gz RLWOFZXHGKXVBT-GFCCVEGCSA-N 1 0 265.376 3.084 10 0 CGAERO CCn1c2ccc(C)cc2nc1[C@@H]([NH3+])CCSC ZINC000037438100 173208505 /nfs/dbraw/zinc/20/85/05/173208505.db2.gz AWQPCKPTHVKLNG-NSHDSACASA-N 1 0 263.410 3.118 10 0 CGAERO Cc1ccc2c(c1)nc(C[NH2+]CC1CC1)n2C(C)C ZINC000037438511 173208644 /nfs/dbraw/zinc/20/86/44/173208644.db2.gz HGJZFXBHQUZLSP-UHFFFAOYSA-N 1 0 257.381 3.425 10 0 CGAERO CCC[NH2+][C@@]1(C(=O)OCC)C[C@H](C)CC[C@@H]1C(C)C ZINC000037513522 173244799 /nfs/dbraw/zinc/24/47/99/173244799.db2.gz CKHZUXSYPONGSL-FMKPAKJESA-N 1 0 269.429 3.380 10 0 CGAERO CCCCCOc1cc(C[C@@H](C)[NH3+])ccc1OC ZINC000037728034 173647112 /nfs/dbraw/zinc/64/71/12/173647112.db2.gz JXMFVJKEGIPODE-GFCCVEGCSA-N 1 0 251.370 3.154 10 0 CGAERO CCOc1cccc(C[C@@H](C)[NH3+])c1OC/C=C/Cl ZINC000037728396 173647767 /nfs/dbraw/zinc/64/77/67/173647767.db2.gz QGYJRMVSJXIMEH-AYLMVEPYSA-N 1 0 269.772 3.106 10 0 CGAERO NC(=[NH2+])c1cccc(COc2ccc(F)cc2Cl)c1 ZINC000037902282 173833169 /nfs/dbraw/zinc/83/31/69/173833169.db2.gz GDADODZTPKTRSG-UHFFFAOYSA-N 1 0 278.714 3.342 10 0 CGAERO Cc1cc(C)cc(OC[C@@H](O)C[NH2+]CCCC(C)C)c1 ZINC000037984815 173946116 /nfs/dbraw/zinc/94/61/16/173946116.db2.gz JBHSLLMWYWFFOQ-INIZCTEOSA-N 1 0 279.424 3.069 10 0 CGAERO Cc1ccsc1C[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032625 174029021 /nfs/dbraw/zinc/02/90/21/174029021.db2.gz IPTGOLPNHWJTMB-UHFFFAOYSA-N 1 0 258.390 3.197 10 0 CGAERO [NH3+]CCN(Cc1ccccc1)c1nc2ccccc2s1 ZINC000038033134 174030176 /nfs/dbraw/zinc/03/01/76/174030176.db2.gz NASPUSYKWMRVFT-UHFFFAOYSA-N 1 0 283.400 3.262 10 0 CGAERO CC[NH2+]Cc1ccccc1-c1ccc2c(c1)CCO2 ZINC000038072969 174083539 /nfs/dbraw/zinc/08/35/39/174083539.db2.gz DKNWUMWDDJJIOJ-UHFFFAOYSA-N 1 0 253.345 3.398 10 0 CGAERO C[NH2+][C@@H](Cc1cc(C)cc(C)c1)Cc1ccccn1 ZINC000038077446 174087994 /nfs/dbraw/zinc/08/79/94/174087994.db2.gz ZTMVCUVDPWJDAK-KRWDZBQOSA-N 1 0 254.377 3.072 10 0 CGAERO C[NH+](C)[C@@H]1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000039214031 174166407 /nfs/dbraw/zinc/16/64/07/174166407.db2.gz QYRVZDSJNOXXNC-SECBINFHSA-N 1 0 293.208 3.349 10 0 CGAERO COc1ccc(Cl)c2c1CC[C@@H](C[NH+]1CCCC1)C2=O ZINC000039212496 174166411 /nfs/dbraw/zinc/16/64/11/174166411.db2.gz NKSVGKBNIVHTLI-NSHDSACASA-N 1 0 293.794 3.190 10 0 CGAERO CC[NH+](CC)CCn1c(COC)nc2ccc(Cl)cc21 ZINC000040405695 174254246 /nfs/dbraw/zinc/25/42/46/174254246.db2.gz ZRQCPEDMWLWROU-UHFFFAOYSA-N 1 0 295.814 3.178 10 0 CGAERO CCCOc1c(C[NH2+]C2CC2)cc(Cl)cc1OC ZINC000040722204 174385532 /nfs/dbraw/zinc/38/55/32/174385532.db2.gz PTSFRVPTQDTVPZ-UHFFFAOYSA-N 1 0 269.772 3.389 10 0 CGAERO O[C@H](CC[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000041145222 174495918 /nfs/dbraw/zinc/49/59/18/174495918.db2.gz TXUJQJBBQZFRIG-CQSZACIVSA-N 1 0 298.224 3.359 10 0 CGAERO [NH3+][C@H]1CCCCCC[C@@H]1N(CC(F)(F)F)C1CC1 ZINC000042748929 174866553 /nfs/dbraw/zinc/86/65/53/174866553.db2.gz QBLSVXYDLUUGIM-RYUDHWBXSA-N 1 0 264.335 3.063 10 0 CGAERO C[C@H]1CCCC[C@@H]1C[NH2+][C@@H]1COc2cc(O)ccc21 ZINC000042857303 174892336 /nfs/dbraw/zinc/89/23/36/174892336.db2.gz LQLSVNZYFSUTJG-YWPYICTPSA-N 1 0 261.365 3.242 10 0 CGAERO C[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)N1CC[C@@H](C)C1 ZINC000042954110 174924266 /nfs/dbraw/zinc/92/42/66/174924266.db2.gz OZDLVKLFVAJLGH-JTNHKYCSSA-N 1 0 297.240 3.179 10 0 CGAERO CC[C@H]([NH3+])[C@H](OC1CCCC1)c1ccc(OC)cc1 ZINC000042962483 174927753 /nfs/dbraw/zinc/92/77/53/174927753.db2.gz FLANBPJLUMAFCD-JKSUJKDBSA-N 1 0 263.381 3.433 10 0 CGAERO CC[C@@H]([NH3+])[C@@H](Sc1nccn1C)c1cccc(C)c1 ZINC000042969550 174932970 /nfs/dbraw/zinc/93/29/70/174932970.db2.gz BNTWLERNRXUTSR-KGLIPLIRSA-N 1 0 275.421 3.299 10 0 CGAERO CC[C@@H]([NH3+])[C@@H](c1cccc(Cl)c1)N1CCSCC1 ZINC000042975160 174938694 /nfs/dbraw/zinc/93/86/94/174938694.db2.gz UMHGCJGSKKNMRV-ZIAGYGMSSA-N 1 0 284.856 3.167 10 0 CGAERO C[C@@H]([NH3+])[C@@H](OCC(F)(F)F)c1cccc(Cl)c1 ZINC000043017061 174943660 /nfs/dbraw/zinc/94/36/60/174943660.db2.gz CJHUNECTZWXNAC-GMSGAONNSA-N 1 0 267.678 3.307 10 0 CGAERO CC[C@@H]([NH3+])[C@@H](OC[C@@H]1CCCCO1)c1cccs1 ZINC000043109745 174973829 /nfs/dbraw/zinc/97/38/29/174973829.db2.gz YAZCNDCRWLFJKR-OUCADQQQSA-N 1 0 269.410 3.112 10 0 CGAERO Cc1ccc([C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1C ZINC000043501799 175058500 /nfs/dbraw/zinc/05/85/00/175058500.db2.gz WZMJKHLLTLHXBC-IBGZPJMESA-N 1 0 281.399 3.395 10 0 CGAERO CCc1cccc(C)c1NC(=O)C1(C[NH3+])CCCCC1 ZINC000044761995 175246237 /nfs/dbraw/zinc/24/62/37/175246237.db2.gz RRHQLLRCPRIBRM-UHFFFAOYSA-N 1 0 274.408 3.405 10 0 CGAERO Cc1cc(NCc2ccccc2)nc(NC(C)C)[nH+]1 ZINC000045392393 175375841 /nfs/dbraw/zinc/37/58/41/175375841.db2.gz GHGITAWFONUTRR-UHFFFAOYSA-N 1 0 256.353 3.217 10 0 CGAERO CC(C)n1cc(C[NH2+]C(C)(C)CO)c2ccccc21 ZINC000045945092 175387313 /nfs/dbraw/zinc/38/73/13/175387313.db2.gz JZNRDYSGCYYLPH-UHFFFAOYSA-N 1 0 260.381 3.083 10 0 CGAERO CC(C)n1cc(C[NH2+]C[C@@H]2CCCO2)c2ccccc21 ZINC000045945106 175387796 /nfs/dbraw/zinc/38/77/96/175387796.db2.gz HVZBWVMQJALFAE-HNNXBMFYSA-N 1 0 272.392 3.491 10 0 CGAERO CC[C@H](C[NH2+]CC(C)C)Oc1ccc(C)cc1OC ZINC000052646909 175536648 /nfs/dbraw/zinc/53/66/48/175536648.db2.gz JLCMENKZEGHDGE-CQSZACIVSA-N 1 0 265.397 3.407 10 0 CGAERO Cc1nnc([C@H]2CCC[C@@H]([NH3+])C2)n1C1CCCCC1 ZINC000070570199 175985942 /nfs/dbraw/zinc/98/59/42/175985942.db2.gz SLMKZATWVIOLQW-QWHCGFSZSA-N 1 0 262.401 3.077 10 0 CGAERO CC(C)[C@@H](C[NH2+]C1CC1)Oc1cc(F)ccc1F ZINC000071168871 176049919 /nfs/dbraw/zinc/04/99/19/176049919.db2.gz QMHSXIFEMLLMCH-CQSZACIVSA-N 1 0 255.308 3.120 10 0 CGAERO CCCCOc1ccc(CC[NH3+])cc1C(F)(F)F ZINC000071399537 176152339 /nfs/dbraw/zinc/15/23/39/176152339.db2.gz LTVKNCXCQCLOJQ-UHFFFAOYSA-N 1 0 261.287 3.386 10 0 CGAERO CC[NH2+][C@@H](C)C(=O)c1ccc(OC)c(C(C)(C)C)c1 ZINC000071595560 176218690 /nfs/dbraw/zinc/21/86/90/176218690.db2.gz HDYFVBAVYZDHHH-NSHDSACASA-N 1 0 263.381 3.173 10 0 CGAERO COc1ccc(C(C)(C)C)cc1[C@@H](CO)[NH2+]C(C)C ZINC000071597964 176221516 /nfs/dbraw/zinc/22/15/16/176221516.db2.gz FODYCTPNVCIJPG-CQSZACIVSA-N 1 0 265.397 3.024 10 0 CGAERO C[NH2+][C@@H](C(C)C)[C@@H](O)c1ccc(OC(C)C)c(C)c1 ZINC000071598058 176221658 /nfs/dbraw/zinc/22/16/58/176221658.db2.gz VIJQKUJPHWOHOD-HOTGVXAUSA-N 1 0 265.397 3.060 10 0 CGAERO Cc1cc([C@@H](O)[C@@H](C)[NH2+]C(C)C)ccc1OC(C)C ZINC000071598053 176221730 /nfs/dbraw/zinc/22/17/30/176221730.db2.gz BQHMIXXWBFMATN-CJNGLKHVSA-N 1 0 265.397 3.202 10 0 CGAERO CCOc1ccc(C(=O)[C@H]([NH2+]C)C(C)C)cc1Cl ZINC000071601016 176227457 /nfs/dbraw/zinc/22/74/57/176227457.db2.gz BFDYCNUDBBJXQQ-CYBMUJFWSA-N 1 0 269.772 3.165 10 0 CGAERO CCc1c(C[NH3+])cnn1-c1ccc(Cl)c(Cl)c1 ZINC000071601269 176228024 /nfs/dbraw/zinc/22/80/24/176228024.db2.gz CBEMSJVFDHETHU-UHFFFAOYSA-N 1 0 270.163 3.200 10 0 CGAERO CC(C)[NH2+][C@@H](CO)c1ccc(OC(C)C)c(Cl)c1 ZINC000071611292 176231879 /nfs/dbraw/zinc/23/18/79/176231879.db2.gz RTSBOGGCMUCREQ-ZDUSSCGKSA-N 1 0 271.788 3.159 10 0 CGAERO COc1cc2c(cc1OC)C1(CC1)C[NH2+][C@H]2CC(C)C ZINC000071616416 176235152 /nfs/dbraw/zinc/23/51/52/176235152.db2.gz HHVXCYVQFWGZHY-AWEZNQCLSA-N 1 0 275.392 3.426 10 0 CGAERO Cc1ccc(F)cc1C[NH2+][C@H](CC(C)C)CN(C)C ZINC000129062295 287323417 /nfs/dbraw/zinc/32/34/17/287323417.db2.gz FBUFNRAUKHOZHX-MRXNPFEDSA-N 1 0 266.404 3.200 10 0 CGAERO [NH3+]CC1(C(=O)Nc2ccccc2Cl)CCCCC1 ZINC000076375615 177010954 /nfs/dbraw/zinc/01/09/54/177010954.db2.gz PTAUKGVOXUNKMM-UHFFFAOYSA-N 1 0 266.772 3.188 10 0 CGAERO [NH3+]C[C@H](c1ccccc1Br)C1CCC1 ZINC000076657896 177046836 /nfs/dbraw/zinc/04/68/36/177046836.db2.gz IGWYBMLXQXZHEC-NSHDSACASA-N 1 0 254.171 3.292 10 0 CGAERO CCc1ccccc1OC[C@@H](C[NH3+])c1ccccc1 ZINC000076660587 177048542 /nfs/dbraw/zinc/04/85/42/177048542.db2.gz RSOBHDQDWMOALD-MRXNPFEDSA-N 1 0 255.361 3.370 10 0 CGAERO COc1ccccc1[C@H](CC[NH3+])Cc1ccccc1 ZINC000076660571 177048736 /nfs/dbraw/zinc/04/87/36/177048736.db2.gz AFZASDROYTZTJM-OAHLLOKOSA-N 1 0 255.361 3.370 10 0 CGAERO [NH3+]CC[C@@H](CCc1ccc(F)cc1)c1ccccn1 ZINC000076666277 177051078 /nfs/dbraw/zinc/05/10/78/177051078.db2.gz FMIPSXFYXGRGRH-CQSZACIVSA-N 1 0 258.340 3.286 10 0 CGAERO Cc1ccc(OC[C@@H](CC[NH3+])c2ccc[nH]2)cc1C ZINC000076667577 177051371 /nfs/dbraw/zinc/05/13/71/177051371.db2.gz XXIQVRQAFIXYKZ-CQSZACIVSA-N 1 0 258.365 3.143 10 0 CGAERO CCOc1ccc([C@@H](CC[NH3+])c2ccco2)cc1F ZINC000076677299 177056427 /nfs/dbraw/zinc/05/64/27/177056427.db2.gz SIPVFISZGUWPQN-GFCCVEGCSA-N 1 0 263.312 3.298 10 0 CGAERO COc1ccc([C@H](C[NH3+])CCc2ccco2)cc1F ZINC000076677281 177056659 /nfs/dbraw/zinc/05/66/59/177056659.db2.gz SHRGFLJDCKKPAC-LBPRGKRZSA-N 1 0 263.312 3.102 10 0 CGAERO CC[NH2+][C@H](C)c1csc(-c2cccc(OC)c2OC)n1 ZINC000076784587 177092029 /nfs/dbraw/zinc/09/20/29/177092029.db2.gz WSINOXISDVICPA-SNVBAGLBSA-N 1 0 292.404 3.498 10 0 CGAERO C[NH2+][C@H](C)c1csc(-c2c(F)cccc2F)n1 ZINC000076784760 177092198 /nfs/dbraw/zinc/09/21/98/177092198.db2.gz NIECSAPOAXMZHG-SSDOTTSWSA-N 1 0 254.305 3.369 10 0 CGAERO Cc1cn[nH]c1C[NH2+][C@@H]1CCCCc2ccccc21 ZINC000685614378 544089639 /nfs/dbraw/zinc/08/96/39/544089639.db2.gz NSMRHVCLPSRTBA-OAHLLOKOSA-N 1 0 255.365 3.275 10 0 CGAERO CC(C)[NH2+]C[C@H](NC1CC1)c1ccc(Cl)cc1 ZINC000725269529 544114601 /nfs/dbraw/zinc/11/46/01/544114601.db2.gz VAPOINSPDNKFQH-AWEZNQCLSA-N 1 0 252.789 3.131 10 0 CGAERO C[C@@H]1CC[C@H]([NH2+][C@H](CN(C)C)c2ccccc2)CS1 ZINC000655695595 419067056 /nfs/dbraw/zinc/06/70/56/419067056.db2.gz NUUFUKSTGVMNPH-VNQPRFMTSA-N 1 0 278.465 3.163 10 0 CGAERO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]Cc2cnc3n2CCC3)C1 ZINC000657303092 419246780 /nfs/dbraw/zinc/24/67/80/419246780.db2.gz ZYNCIYKGRKSFFX-GHMZBOCLSA-N 1 0 287.329 3.040 10 0 CGAERO Cc1c[nH]c(C[NH2+]C2CC(c3cccc(Cl)c3)C2)n1 ZINC000657377849 419263872 /nfs/dbraw/zinc/26/38/72/419263872.db2.gz WSIYNUYZUNJTFS-UHFFFAOYSA-N 1 0 275.783 3.407 10 0 CGAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@H]2CCC[C@@H](C)O2)c1C ZINC000658221893 419679392 /nfs/dbraw/zinc/67/93/92/419679392.db2.gz VDSRJTRTPJTJIP-TYNCELHUSA-N 1 0 279.428 3.128 10 0 CGAERO Cc1ccccc1C1CC([NH2+]Cc2ccnc(C)n2)C1 ZINC000038037642 260125033 /nfs/dbraw/zinc/12/50/33/260125033.db2.gz VFCHAFFYMQWWEE-UHFFFAOYSA-N 1 0 267.376 3.129 10 0 CGAERO Cn1ccnc1C[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000071273232 260160777 /nfs/dbraw/zinc/16/07/77/260160777.db2.gz KXTRYHFHTBMJIQ-UHFFFAOYSA-N 1 0 275.783 3.109 10 0 CGAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C[C@@H]1CCCCC1(F)F ZINC000390915001 262363167 /nfs/dbraw/zinc/36/31/67/262363167.db2.gz DKWDNUYCMUQPTH-QLFBSQMISA-N 1 0 286.410 3.371 10 0 CGAERO CC(C)(C)CCC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000301951211 262391386 /nfs/dbraw/zinc/39/13/86/262391386.db2.gz JPEKVKXBECGSNO-GDBMZVCRSA-N 1 0 253.430 3.440 10 0 CGAERO CCC1(C[NH2+][C@@H]2C[C@@H](C)CC[C@H]2C(C)C)COC1 ZINC000393992757 262471197 /nfs/dbraw/zinc/47/11/97/262471197.db2.gz VGKFXJGDWKZRTN-SOUVJXGZSA-N 1 0 253.430 3.463 10 0 CGAERO COc1cccc([C@@H](C)[NH2+][C@@H](CC(C)C)CN(C)C)c1 ZINC000037167155 270028793 /nfs/dbraw/zinc/02/87/93/270028793.db2.gz UNDYDPNLBDTQGU-ZBFHGGJFSA-N 1 0 278.440 3.322 10 0 CGAERO COc1ccccc1[C@@H](C)[NH2+][C@@H](CC(C)C)CN(C)C ZINC000037166889 270028876 /nfs/dbraw/zinc/02/88/76/270028876.db2.gz KLWVUUYMJSKKPR-CABCVRRESA-N 1 0 278.440 3.322 10 0 CGAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@@H]1CCc2ccccc21 ZINC000037167131 270028992 /nfs/dbraw/zinc/02/89/92/270028992.db2.gz VTZKDXNBOBPIOO-DOTOQJQBSA-N 1 0 260.425 3.240 10 0 CGAERO CC[NH+](CC)[C@@H](C)CNC(=O)C(C)(C)c1ccc(C)cc1 ZINC000103205826 270045577 /nfs/dbraw/zinc/04/55/77/270045577.db2.gz LNSDLORBEIPFED-HNNXBMFYSA-N 1 0 290.451 3.119 10 0 CGAERO O[C@@]12CCCC[C@@H]1C[N@H+](CCCc1cccc(F)c1)CC2 ZINC000182850925 270054617 /nfs/dbraw/zinc/05/46/17/270054617.db2.gz NZRFXRXOEFNZLS-SJLPKXTDSA-N 1 0 291.410 3.385 10 0 CGAERO CCC[C@H](C(=O)NCc1c(C)oc2ccccc21)[NH+](C)C ZINC000184041749 270057159 /nfs/dbraw/zinc/05/71/59/270057159.db2.gz WXYRIFYHBHDHDU-OAHLLOKOSA-N 1 0 288.391 3.088 10 0 CGAERO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCN2C)cc1C ZINC000222704988 270086073 /nfs/dbraw/zinc/08/60/73/270086073.db2.gz ACQBPWMTZDRQNT-CVEARBPZSA-N 1 0 260.425 3.357 10 0 CGAERO Cc1cc(OCC[N@@H+]2CC[C@H](CCO)C2)ccc1C(C)C ZINC000227573299 270087463 /nfs/dbraw/zinc/08/74/63/270087463.db2.gz KPDBNVCFGOAOFV-MRXNPFEDSA-N 1 0 291.435 3.202 10 0 CGAERO C[C@@H]1CCCN(Cc2ccccc2C(F)(F)F)[C@@H]1C[NH3+] ZINC000070175701 274291368 /nfs/dbraw/zinc/29/13/68/274291368.db2.gz LTMCLFGHFMGADS-BXUZGUMPSA-N 1 0 286.341 3.265 10 0 CGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C/C=C\c1ccc(F)cc1 ZINC000255711671 274374093 /nfs/dbraw/zinc/37/40/93/274374093.db2.gz RHOYZSMOPWSHRK-AKTXMBNYSA-N 1 0 274.383 3.007 10 0 CGAERO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1ccc(F)cc1 ZINC000248136916 287754823 /nfs/dbraw/zinc/75/48/23/287754823.db2.gz PEYWPFUNUBSFAU-CWRNSKLLSA-N 1 0 265.372 3.418 10 0 CGAERO C[C@H]1CCN(Cc2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000235659967 274561569 /nfs/dbraw/zinc/56/15/69/274561569.db2.gz VKWDAIZZPIFRSF-SMDDNHRTSA-N 1 0 297.240 3.008 10 0 CGAERO CCn1c2ccccc2nc1[C@H](C)[NH2+]Cc1cccn1C ZINC000119333892 276712209 /nfs/dbraw/zinc/71/22/09/276712209.db2.gz UPJZAJLZOFYVBE-ZDUSSCGKSA-N 1 0 282.391 3.246 10 0 CGAERO C[NH+](C)C1(c2ccc(Br)cc2)CCC(=O)CC1 ZINC000027427201 276771997 /nfs/dbraw/zinc/77/19/97/276771997.db2.gz FUNZUWAJMVRIRL-UHFFFAOYSA-N 1 0 296.208 3.349 10 0 CGAERO CC(C)(C)OC(=O)N1CCC([C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000044135627 277181558 /nfs/dbraw/zinc/18/15/58/277181558.db2.gz UYVAWDXQVILRFJ-KGLIPLIRSA-N 1 0 282.428 3.151 10 0 CGAERO CN1c2ccccc2[C@H]([NH2+][C@@H]2CCC(C)(C)C2)CC1=O ZINC000163637156 277219082 /nfs/dbraw/zinc/21/90/82/277219082.db2.gz SJSWXJRGJISKPC-TZMCWYRMSA-N 1 0 272.392 3.263 10 0 CGAERO Cc1cc(Cl)cc(C[NH2+][C@H](C)[C@@H]2CCCO2)c1 ZINC000339183141 287957018 /nfs/dbraw/zinc/95/70/18/287957018.db2.gz YGIDRTGGVBCQMD-RISCZKNCSA-N 1 0 253.773 3.306 10 0 CGAERO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCCC[C@@H]1O)CCC2 ZINC000135605728 277992378 /nfs/dbraw/zinc/99/23/78/277992378.db2.gz XQMXCFWGBOLSRD-SQNIBIBYSA-N 1 0 289.419 3.356 10 0 CGAERO 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CCC[NH2+]CCC[C@@H](C)N(CC(F)(F)F)C(C)C ZINC000052502855 519913535 /nfs/dbraw/zinc/91/35/35/519913535.db2.gz ZQUGPBMVNQSEEQ-GFCCVEGCSA-N 1 0 268.367 3.427 10 0 CGAERO CCC[NH2+]C[C@@H](C)N(C)Cc1ccc(Br)cc1 ZINC000052371715 519920284 /nfs/dbraw/zinc/92/02/84/519920284.db2.gz ZPAPUXOLNSCPEX-GFCCVEGCSA-N 1 0 299.256 3.269 10 0 CGAERO CCC[NH2+]C[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000053010130 519924662 /nfs/dbraw/zinc/92/46/62/519924662.db2.gz RIBIYGJSYZDTIQ-LBPRGKRZSA-N 1 0 252.789 3.166 10 0 CGAERO CCC[NH2+]C[C@H]1C[C@H]1c1ccccc1OC(F)F ZINC000054592869 519940064 /nfs/dbraw/zinc/94/00/64/519940064.db2.gz GWSMPVQBDCCQKI-ZYHUDNBSSA-N 1 0 255.308 3.391 10 0 CGAERO CCC[NH2+]C[C@](C)(CC)OCCc1cccs1 ZINC000051959832 519940776 /nfs/dbraw/zinc/94/07/76/519940776.db2.gz DMPKXHVGLDXBOJ-AWEZNQCLSA-N 1 0 255.427 3.476 10 0 CGAERO CCC[NH2+]Cc1c(C)nc(-c2cccs2)nc1C ZINC000054854223 519941624 /nfs/dbraw/zinc/94/16/24/519941624.db2.gz HTRSMMLPZIAFRG-UHFFFAOYSA-N 1 0 261.394 3.322 10 0 CGAERO CC[NH2+]C[C@H](C)C(=O)N[C@H](CC)c1ccc(Cl)cc1 ZINC000061231562 519964742 /nfs/dbraw/zinc/96/47/42/519964742.db2.gz KZGAYQICQOGQJC-SMDDNHRTSA-N 1 0 282.815 3.153 10 0 CGAERO CCC[NH2+][C@@H](Cc1cnn(C)c1)c1ccccc1Cl ZINC000050543365 520015127 /nfs/dbraw/zinc/01/51/27/520015127.db2.gz HOHGEJMBNGPSLO-HNNXBMFYSA-N 1 0 277.799 3.357 10 0 CGAERO CCC[NH2+][C@H](CC1CCOCC1)c1ncccc1C ZINC000060701178 520068962 /nfs/dbraw/zinc/06/89/62/520068962.db2.gz WLPMYCZGPAGLHE-OAHLLOKOSA-N 1 0 262.397 3.247 10 0 CGAERO CC[NH2+][C@@H](C)CC(=O)Nc1ccccc1SCC ZINC000061271591 520071292 /nfs/dbraw/zinc/07/12/92/520071292.db2.gz NZJQJBLOWCJNIY-NSHDSACASA-N 1 0 266.410 3.125 10 0 CGAERO CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N1Cc2ccccc2C1 ZINC000050911172 520122102 /nfs/dbraw/zinc/12/21/02/520122102.db2.gz APAMEQUERMKUEU-XKQJLSEDSA-N 1 0 258.409 3.169 10 0 CGAERO CC[NH2+][C@@H]1C[C@@H](C)CCc2c(OC)cc(OC)cc21 ZINC000061831609 520126784 /nfs/dbraw/zinc/12/67/84/520126784.db2.gz OEMZIMHXLLACLD-XHDPSFHLSA-N 1 0 263.381 3.327 10 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288.435 3.206 10 0 CGAERO c1ccc2c(c1)CCN[C@H]2C[NH+]1CCCCCCC1 ZINC000043596001 345001796 /nfs/dbraw/zinc/00/17/96/345001796.db2.gz RFRQTIVFJDRVLD-KRWDZBQOSA-N 1 0 258.409 3.140 10 0 CGAERO Clc1cccc(SCC[NH+]2CCCCC2)n1 ZINC000048545038 345067433 /nfs/dbraw/zinc/06/74/33/345067433.db2.gz IHZDNKNPPWFNKL-UHFFFAOYSA-N 1 0 256.802 3.313 10 0 CGAERO CC(C)[C@](C)([NH3+])Cc1ccc(Br)s1 ZINC000053758504 345124983 /nfs/dbraw/zinc/12/49/83/345124983.db2.gz TZTFFIJFXZXBAK-SNVBAGLBSA-N 1 0 262.216 3.427 10 0 CGAERO C[C@@H](c1cccc(Cl)c1)N(C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054308338 345132316 /nfs/dbraw/zinc/13/23/16/345132316.db2.gz JTTZUJYJJZJPSO-QWHCGFSZSA-N 1 0 294.826 3.249 10 0 CGAERO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000054685835 345138056 /nfs/dbraw/zinc/13/80/56/345138056.db2.gz HSCPXAFFBDJQBJ-GJZGRUSLSA-N 1 0 279.742 3.083 10 0 CGAERO CC(C)c1ccc([C@@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000054685580 345138152 /nfs/dbraw/zinc/13/81/52/345138152.db2.gz FXPXIARXYUCZJL-ZWKOTPCHSA-N 1 0 269.388 3.413 10 0 CGAERO Fc1cc(Br)ccc1C1CC[NH2+]CC1 ZINC000062951077 345242227 /nfs/dbraw/zinc/24/22/27/345242227.db2.gz GQKYLUFTVNKVKY-UHFFFAOYSA-N 1 0 258.134 3.055 10 0 CGAERO C[NH2+][C@H](C)c1cc(Br)cc(Br)c1 ZINC000059782353 345209287 /nfs/dbraw/zinc/20/92/87/345209287.db2.gz ZMZUDHKTYXFEJQ-ZCFIWIBFSA-N 1 0 293.002 3.492 10 0 CGAERO CSCCC[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000069446767 345380544 /nfs/dbraw/zinc/38/05/44/345380544.db2.gz BGNFNLYZEVVHIY-MRXNPFEDSA-N 1 0 275.417 3.216 10 0 CGAERO Nc1cc[nH+]cc1Cc1ccc(Br)s1 ZINC000069841131 345386229 /nfs/dbraw/zinc/38/62/29/345386229.db2.gz NAODLQVVNWKPNM-UHFFFAOYSA-N 1 0 269.167 3.079 10 0 CGAERO C[NH2+][C@@H]1CC[C@@H](Cc2cc(Br)cs2)C1 ZINC000070744327 345394717 /nfs/dbraw/zinc/39/47/17/345394717.db2.gz UNQPEPAIVODJBT-PSASIEDQSA-N 1 0 274.227 3.441 10 0 CGAERO C[NH2+][C@@H]1CCC[C@@H](c2occc2Br)C1 ZINC000070744943 345394733 /nfs/dbraw/zinc/39/47/33/345394733.db2.gz IDWCIOKVJALLSF-RKDXNWHRSA-N 1 0 258.159 3.288 10 0 CGAERO c1ccc(C(c2ccccc2)N2CC(C[NH+]3CCC3)C2)cc1 ZINC000088260407 345758386 /nfs/dbraw/zinc/75/83/86/345758386.db2.gz NMUSJJPWDIMKJZ-UHFFFAOYSA-N 1 0 292.426 3.414 10 0 CGAERO c1ccc2c(c1)CC[NH2+][C@H]2c1cccc2ncccc21 ZINC000130142601 346054456 /nfs/dbraw/zinc/05/44/56/346054456.db2.gz JGCYWKQFLGNBRI-GOSISDBHSA-N 1 0 260.340 3.470 10 0 CGAERO Brc1csc(C[C@H]2CCCC[NH2+]C2)c1 ZINC000134220961 346080697 /nfs/dbraw/zinc/08/06/97/346080697.db2.gz AAIKGTLPIAHADX-SECBINFHSA-N 1 0 274.227 3.443 10 0 CGAERO C[NH2+][C@@H]1CSC[C@@H]1Cc1sccc1Br ZINC000134595996 346083215 /nfs/dbraw/zinc/08/32/15/346083215.db2.gz RMQROOVYSUUDDE-IONNQARKSA-N 1 0 292.267 3.004 10 0 CGAERO [NH3+]C[C@H]1Cc2cc(F)cc(-c3ccc(F)cc3F)c2O1 ZINC000135998058 346089289 /nfs/dbraw/zinc/08/92/89/346089289.db2.gz BVESKCNRQQVDPR-LLVKDONJSA-N 1 0 279.261 3.033 10 0 CGAERO CCOC(=O)[C@@H]1CC(C)=C(C)CN1Cc1ccccc1 ZINC000136353203 346091114 /nfs/dbraw/zinc/09/11/14/346091114.db2.gz OYDPLHPOWXDVJU-INIZCTEOSA-N 1 0 273.376 3.160 10 0 CGAERO [NH3+]C[C@H]1Cc2cc(Cl)cc(-c3ccsc3)c2O1 ZINC000137262358 346093350 /nfs/dbraw/zinc/09/33/50/346093350.db2.gz VPAIQYVOXXFSSL-LLVKDONJSA-N 1 0 265.765 3.331 10 0 CGAERO C[NH2+]C/C=C/c1ccc(Cl)c(Br)c1 ZINC000137296842 346093927 /nfs/dbraw/zinc/09/39/27/346093927.db2.gz SYHRRKXTCUGNIA-NSCUHMNNSA-N 1 0 260.562 3.335 10 0 CGAERO C[C@H]([C@H](O)c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000138977450 346098381 /nfs/dbraw/zinc/09/83/81/346098381.db2.gz WCQLQXUVEOZLEI-NHYWBVRUSA-N 1 0 267.800 3.351 10 0 CGAERO Brc1ccc2c(c1)CCC[C@]21CC[NH2+]C1 ZINC000139967659 346102367 /nfs/dbraw/zinc/10/23/67/346102367.db2.gz XRCIFPDTOODVPE-CYBMUJFWSA-N 1 0 266.182 3.017 10 0 CGAERO C[C@@H]([NH3+])c1ccc(NC(=O)OC(C)(C)C)c(F)c1 ZINC000145305353 346120356 /nfs/dbraw/zinc/12/03/56/346120356.db2.gz YYNUWGLDDMJVAP-MRVPVSSYSA-N 1 0 254.305 3.192 10 0 CGAERO C[C@@H]([NH3+])[C@@H](CC1CCC1)N1CCCc2ccccc21 ZINC000148779696 346129063 /nfs/dbraw/zinc/12/90/63/346129063.db2.gz PRWNUHHMGRHAGI-CXAGYDPISA-N 1 0 258.409 3.345 10 0 CGAERO FC1(Cc2ccc(Br)s2)CC[NH2+]CC1 ZINC000158105858 346163693 /nfs/dbraw/zinc/16/36/93/346163693.db2.gz AENMPTDRTNRJNL-UHFFFAOYSA-N 1 0 278.190 3.145 10 0 CGAERO [NH3+][C@@H]1CC[C@](F)(Cc2cc(Br)cs2)C1 ZINC000158323474 346164453 /nfs/dbraw/zinc/16/44/53/346164453.db2.gz LKJPPMKNISKQMI-PSASIEDQSA-N 1 0 278.190 3.273 10 0 CGAERO CC(C)[C@@](F)(C[NH3+])c1cscc1Br ZINC000158387347 346164537 /nfs/dbraw/zinc/16/45/37/346164537.db2.gz JPPZZFMVLYTHOW-VIFPVBQESA-N 1 0 266.179 3.290 10 0 CGAERO CC[C@H]1C[C@]1(C[NH3+])c1ccc(Br)cc1 ZINC000160957868 346173672 /nfs/dbraw/zinc/17/36/72/346173672.db2.gz LHNMJSUWXUJOLH-JOYOIKCWSA-N 1 0 254.171 3.076 10 0 CGAERO C[C@@H](c1ccc(F)c(Cl)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178629401 232395070 /nfs/dbraw/zinc/39/50/70/232395070.db2.gz NUIIGKLNIULFBD-WCQYABFASA-N 1 0 282.790 3.320 10 0 CGAERO COc1cc2c(c(-c3ccccc3OC)c1)O[C@@H](CC[NH3+])C2 ZINC000166269662 346186103 /nfs/dbraw/zinc/18/61/03/346186103.db2.gz NWTRDAJIZGRYGD-ZDUSSCGKSA-N 1 0 299.370 3.023 10 0 CGAERO Cc1cc2c(c(-c3ccc(F)cc3)c1)O[C@@H](C[NH3+])C2 ZINC000166284339 346186293 /nfs/dbraw/zinc/18/62/93/346186293.db2.gz DBYHRWFDKPDYEG-CQSZACIVSA-N 1 0 257.308 3.063 10 0 CGAERO C[N@H+]1Cc2ccccc2[C@@H](c2ccc3ccnnc3c2)C1 ZINC000166281870 346186346 /nfs/dbraw/zinc/18/63/46/346186346.db2.gz AANQJUJEVSDSFA-QGZVFWFLSA-N 1 0 275.355 3.207 10 0 CGAERO O[C@@H](C[NH2+]Cc1ccc(Cl)nc1Cl)c1ccccc1 ZINC000166980351 346187379 /nfs/dbraw/zinc/18/73/79/346187379.db2.gz SVUOHNXMXCVPOK-LBPRGKRZSA-N 1 0 297.185 3.212 10 0 CGAERO C[NH2+]C[C@H]1Cc2cc(C)cc(-c3ccc(F)cc3)c2O1 ZINC000167007045 346187411 /nfs/dbraw/zinc/18/74/11/346187411.db2.gz XGWUKTQFDBTLHC-OAHLLOKOSA-N 1 0 271.335 3.324 10 0 CGAERO Cc1ccc(-c2cc(C)cc3c2O[C@@H](C[NH3+])C3)cc1 ZINC000167003188 346187571 /nfs/dbraw/zinc/18/75/71/346187571.db2.gz OSUOSEHRBPXXJE-OAHLLOKOSA-N 1 0 253.345 3.233 10 0 CGAERO [NH3+]C1CC(c2ccc(Br)cc2Cl)C1 ZINC000168604220 346191412 /nfs/dbraw/zinc/19/14/12/346191412.db2.gz AYOYKHSUJHLSLT-UHFFFAOYSA-N 1 0 260.562 3.307 10 0 CGAERO CCc1nnc(C[N@@H+]2CCC[C@H](C(C)(C)C)CC2)n1C ZINC000172050407 346214275 /nfs/dbraw/zinc/21/42/75/346214275.db2.gz OCDFPJFLPUPQAJ-ZDUSSCGKSA-N 1 0 278.444 3.026 10 0 CGAERO CC(C)N(CC[NH2+]Cc1ccccc1)C(=O)OC(C)(C)C ZINC000227654007 346311052 /nfs/dbraw/zinc/31/10/52/346311052.db2.gz VUNVLFAZSLCISB-UHFFFAOYSA-N 1 0 292.423 3.422 10 0 CGAERO C[C@@]1(c2cc(Br)cs2)CCC[NH2+]C1 ZINC000229867197 346318964 /nfs/dbraw/zinc/31/89/64/346318964.db2.gz AUZYAPNUYWMXGJ-SNVBAGLBSA-N 1 0 260.200 3.152 10 0 CGAERO CC(=[NH2+])Nc1ccc(I)cc1Cl ZINC000232140555 346324920 /nfs/dbraw/zinc/32/49/20/346324920.db2.gz MBXODZWJQCYJPL-UHFFFAOYSA-N 1 0 294.523 3.354 10 0 CGAERO CC(C)([NH3+])c1ccc(Br)c(Cl)c1F ZINC000232520471 346326001 /nfs/dbraw/zinc/32/60/01/346326001.db2.gz WHOZSFFHNNPQCK-UHFFFAOYSA-N 1 0 266.541 3.435 10 0 CGAERO C[C@H]1Cc2c(c(Br)ccc2Cl)[C@H]1[NH3+] ZINC000235692894 346336811 /nfs/dbraw/zinc/33/68/11/346336811.db2.gz LIMUNCUSPQILLY-RRAGMBSWSA-N 1 0 260.562 3.295 10 0 CGAERO O[C@@]12CCCC[C@@H]1C[N@H+](Cc1cccc(F)c1F)CC2 ZINC000128393201 187368092 /nfs/dbraw/zinc/36/80/92/187368092.db2.gz BJAVLHXTUGWNQY-CZUORRHYSA-N 1 0 281.346 3.092 10 0 CGAERO CC1(C)[C@H]([NH3+])[C@@]1(C)c1ccc(Br)s1 ZINC000300954874 346439221 /nfs/dbraw/zinc/43/92/21/346439221.db2.gz HLPMANQAUNMDOO-WCBMZHEXSA-N 1 0 260.200 3.135 10 0 CGAERO Clc1cccc(Br)c1[C@@H]1C=CC[NH2+]1 ZINC000306332074 346453547 /nfs/dbraw/zinc/45/35/47/346453547.db2.gz DJNVMPMJYCXCNE-VIFPVBQESA-N 1 0 258.546 3.303 10 0 CGAERO CN1c2ccccc2CN(Cc2ccccc2)C1=[NH2+] ZINC000306825728 346458284 /nfs/dbraw/zinc/45/82/84/346458284.db2.gz YKLVSHPIKZQUHJ-UHFFFAOYSA-N 1 0 251.333 3.073 10 0 CGAERO C[C@]1([C@@H]([NH3+])c2sccc2Br)C[C@@H]1F ZINC000306853840 346458551 /nfs/dbraw/zinc/45/85/51/346458551.db2.gz UPTSETBMXUXGRY-XVYDVKMFSA-N 1 0 264.163 3.259 10 0 CGAERO [NH3+][C@H]1C=C(Cc2ccsc2Br)CC1 ZINC000307041588 346459577 /nfs/dbraw/zinc/45/95/77/346459577.db2.gz LEQHIHKNELZWPN-SECBINFHSA-N 1 0 258.184 3.101 10 0 CGAERO [NH2+]=C(NCc1ccccc1)N1CCC2(C1)CCCCC2 ZINC000307144744 346460012 /nfs/dbraw/zinc/46/00/12/346460012.db2.gz GEJJYCYNUCFOLL-UHFFFAOYSA-N 1 0 271.408 3.367 10 0 CGAERO C[C@@H]1N(Cc2ccccc2)CC[C@]12[NH2+]CCc1sccc12 ZINC000307546736 346463711 /nfs/dbraw/zinc/46/37/11/346463711.db2.gz BQQVENUDELYOPD-KSSFIOAISA-N 1 0 298.455 3.384 10 0 CGAERO CC[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)OC ZINC000383678921 346562883 /nfs/dbraw/zinc/56/28/83/346562883.db2.gz QFXZTGZRSYDUMD-OUAUKWLOSA-N 1 0 253.308 3.122 10 0 CGAERO CC[C@H]([NH3+])c1c(F)ccc(F)c1Br ZINC000403304416 346596413 /nfs/dbraw/zinc/59/64/13/346596413.db2.gz IMAYJXDCBBVWAS-ZETCQYMHSA-N 1 0 250.086 3.137 10 0 CGAERO CC1(C)COC(c2ccccc2)([C@@H]2CCCC[NH2+]2)OC1 ZINC000584643933 346703409 /nfs/dbraw/zinc/70/34/09/346703409.db2.gz UDJCTXCZLJQJFN-HNNXBMFYSA-N 1 0 275.392 3.055 10 0 CGAERO O[C@H](c1ccccc1)[C@@H]1CCCC[C@@H]1[NH+]1CCCC1 ZINC000584596067 346687939 /nfs/dbraw/zinc/68/79/39/346687939.db2.gz LYJDWVXQYOZXQR-IXDOHACOSA-N 1 0 259.393 3.375 10 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ZINC000022122896 171353798 /nfs/dbraw/zinc/35/37/98/171353798.db2.gz HTGJYIQWEFLWRH-UHFFFAOYSA-N 1 0 280.415 3.298 10 0 CGAERO Cc1cc(N)ccc1NC(=O)CCC[N@H+]1CCC[C@H](C)C1 ZINC000022152983 171360164 /nfs/dbraw/zinc/36/01/64/171360164.db2.gz OECHAAKFSYSOTD-ZDUSSCGKSA-N 1 0 289.423 3.028 10 0 CGAERO C[C@@H](C(=O)Nc1cc(Cl)ccc1N)[NH+]1CCCCCC1 ZINC000022153569 171360749 /nfs/dbraw/zinc/36/07/49/171360749.db2.gz DRIVHFXJFZBKHV-NSHDSACASA-N 1 0 295.814 3.125 10 0 CGAERO CCN(c1ccccc1)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000022167319 171366354 /nfs/dbraw/zinc/36/63/54/171366354.db2.gz HXFNJXKCPXOJTP-INIZCTEOSA-N 1 0 258.340 3.352 10 0 CGAERO CCc1ccc([C@H](C[NH3+])N2CCc3sccc3C2)cc1 ZINC000022177548 171371722 /nfs/dbraw/zinc/37/17/22/171371722.db2.gz BBDWYPGSWMFGMA-INIZCTEOSA-N 1 0 286.444 3.369 10 0 CGAERO C[C@H]([NH3+])c1ccccc1NC(=O)NC1CCCCC1 ZINC000022210802 171373701 /nfs/dbraw/zinc/37/37/01/171373701.db2.gz GSNIBKBQMQMMQR-NSHDSACASA-N 1 0 261.369 3.161 10 0 CGAERO [NH3+]Cc1ccc(Oc2cccc3ccccc32)nc1 ZINC000022222654 171378610 /nfs/dbraw/zinc/37/86/10/171378610.db2.gz PDGNDSCAJWHWQQ-UHFFFAOYSA-N 1 0 250.301 3.486 10 0 CGAERO Cc1ccc([C@H](C[NH3+])N2CCc3sccc3C2)cc1 ZINC000022223110 171379207 /nfs/dbraw/zinc/37/92/07/171379207.db2.gz HKHOIQOQGXOLNN-HNNXBMFYSA-N 1 0 272.417 3.115 10 0 CGAERO Cc1ccc(OC[C@@H]([NH3+])c2ccc3c(c2)OCO3)cc1C ZINC000022563406 171391277 /nfs/dbraw/zinc/39/12/77/171391277.db2.gz JMQIWXGGCQBINX-OAHLLOKOSA-N 1 0 285.343 3.111 10 0 CGAERO COc1ccc([C@@H]([NH3+])[C@H](C)Oc2ccccc2)cc1 ZINC000022563237 171391485 /nfs/dbraw/zinc/39/14/85/171391485.db2.gz QEMRSOODKDMYCF-LRDDRELGSA-N 1 0 257.333 3.163 10 0 CGAERO COc1ccccc1OC[C@H]([NH3+])c1ccc(C)cc1 ZINC000023065988 171407656 /nfs/dbraw/zinc/40/76/56/171407656.db2.gz SDEYCCGPRNFPRJ-AWEZNQCLSA-N 1 0 257.333 3.082 10 0 CGAERO C[C@@H]1CC[C@@H]([NH3+])[C@H](Oc2cccc3cccnc32)C1 ZINC000034679517 171863029 /nfs/dbraw/zinc/86/30/29/171863029.db2.gz ODMXFRODMDQIIN-UXIGCNINSA-N 1 0 256.349 3.130 10 0 CGAERO C[NH2+][C@H](c1cc(Br)ccc1OC)[C@@H]1C[C@@H]1C ZINC000035456807 172206869 /nfs/dbraw/zinc/20/68/69/172206869.db2.gz FKUHBVRRTLCUCZ-PLMOITTCSA-N 1 0 284.197 3.374 10 0 CGAERO C[NH2+][C@H](c1ccc(Br)cc1)[C@H]1C[C@@H]1C ZINC000035462971 172210556 /nfs/dbraw/zinc/21/05/56/172210556.db2.gz CWVKRKGYBYGUPM-KPXOXKRLSA-N 1 0 254.171 3.366 10 0 CGAERO C[NH2+][C@H](c1cccc(F)c1)c1ccc(F)c(F)c1 ZINC000035494652 172227991 /nfs/dbraw/zinc/22/79/91/172227991.db2.gz MDVNZDCUNAYSSB-CQSZACIVSA-N 1 0 251.251 3.413 10 0 CGAERO C[NH2+][C@@H](CC(F)(F)F)c1ccc2c(c1)C[C@H](C)O2 ZINC000035505311 172238698 /nfs/dbraw/zinc/23/86/98/172238698.db2.gz OYPAEEMJQJYMKR-KWQFWETISA-N 1 0 259.271 3.223 10 0 CGAERO CCC[NH2+][C@@H](c1ccncc1)c1ccc(OC)cc1 ZINC000035576426 172272758 /nfs/dbraw/zinc/27/27/58/172272758.db2.gz WAJJGTOZEZAQGI-MRXNPFEDSA-N 1 0 256.349 3.179 10 0 CGAERO CCC[NH2+][C@H](c1ccc2c(c1)CCC(=O)N2)C1CC1 ZINC000035581763 172278884 /nfs/dbraw/zinc/27/88/84/172278884.db2.gz IXVACIAIYUPCQC-INIZCTEOSA-N 1 0 258.365 3.022 10 0 CGAERO Cc1ccc(CN(C)[C@](C)(C[NH3+])CCC(C)C)o1 ZINC000035699552 172367906 /nfs/dbraw/zinc/36/79/06/172367906.db2.gz LITVKAXEEDCARU-HNNXBMFYSA-N 1 0 252.402 3.173 10 0 CGAERO Cc1ccc(CN(C)[C@H](C[NH3+])c2ccc(C)s2)o1 ZINC000035699486 172368130 /nfs/dbraw/zinc/36/81/30/172368130.db2.gz IGYFAROUFLRAIF-CYBMUJFWSA-N 1 0 264.394 3.090 10 0 CGAERO Cc1ccc([C@@H](C[NH3+])N(C)Cc2cccs2)cc1 ZINC000035716991 172371094 /nfs/dbraw/zinc/37/10/94/172371094.db2.gz KEQFAUJLMHXVNJ-OAHLLOKOSA-N 1 0 260.406 3.188 10 0 CGAERO [NH3+]Cc1ccc(Sc2nc3ccccc3o2)cc1 ZINC000035720207 172374670 /nfs/dbraw/zinc/37/46/70/172374670.db2.gz ZGXHKGRJLJQMPZ-UHFFFAOYSA-N 1 0 256.330 3.438 10 0 CGAERO CC(C)(C)SCCCOc1cccc(C[NH3+])c1 ZINC000035722372 172378314 /nfs/dbraw/zinc/37/83/14/172378314.db2.gz AWWSHLULTVRKPV-UHFFFAOYSA-N 1 0 253.411 3.446 10 0 CGAERO C[C@H]([NH2+]CC1CC(O)C1)c1cc2ccccc2s1 ZINC000126609932 287268945 /nfs/dbraw/zinc/26/89/45/287268945.db2.gz QBONHGUPPYFCJB-ZBOXLXRLSA-N 1 0 261.390 3.323 10 0 CGAERO O[C@H]1CCC[C@H]([NH2+][C@@H]2CCCCc3ccccc32)C1 ZINC000037165801 173000729 /nfs/dbraw/zinc/00/07/29/173000729.db2.gz NTIXHPZIZCXCLC-YQQAZPJKSA-N 1 0 259.393 3.347 10 0 CGAERO C[C@H](Nc1cc(F)cc(F)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000037210274 173032977 /nfs/dbraw/zinc/03/29/77/173032977.db2.gz RZNRCJWBISHHGN-WDEREUQCSA-N 1 0 254.324 3.107 10 0 CGAERO CCc1ccc([C@@H](N)[C@H](C)[NH+]2CCC(C)CC2)cc1 ZINC000037223650 173044060 /nfs/dbraw/zinc/04/40/60/173044060.db2.gz ZSNYPFWFYQMSED-YOEHRIQHSA-N 1 0 260.425 3.369 10 0 CGAERO C[C@H]([NH2+]Cc1ccc(CSC(F)F)o1)[C@H]1CCCO1 ZINC000037242393 173059008 /nfs/dbraw/zinc/05/90/08/173059008.db2.gz DWLAYBNDEBJEBY-JOYOIKCWSA-N 1 0 291.363 3.393 10 0 CGAERO C[C@H]1CCCC[N@@H+]1Cc1ccc(N)c2cccnc12 ZINC000037272006 173083122 /nfs/dbraw/zinc/08/31/22/173083122.db2.gz UPKRGCNLFVZJJG-LBPRGKRZSA-N 1 0 255.365 3.191 10 0 CGAERO Cc1ncsc1[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1n1ccnc1 ZINC000037314079 173115719 /nfs/dbraw/zinc/11/57/19/173115719.db2.gz MXBXDQMXOZXDEA-UPJWGTAASA-N 1 0 276.409 3.092 10 0 CGAERO Cc1ncsc1[C@@H](C)[NH2+][C@H]1CCC[C@@H]1n1ccnc1 ZINC000037314081 173115990 /nfs/dbraw/zinc/11/59/90/173115990.db2.gz MXBXDQMXOZXDEA-AGIUHOORSA-N 1 0 276.409 3.092 10 0 CGAERO COc1ccc(COc2cccc([C@H](C)[NH3+])c2)cc1F ZINC000037336909 173137630 /nfs/dbraw/zinc/13/76/30/173137630.db2.gz BVKQKXBADJVLJB-NSHDSACASA-N 1 0 275.323 3.433 10 0 CGAERO C[NH2+]CCCC(=O)Nc1c(Cl)ccc(C)c1Cl ZINC000037386955 173171063 /nfs/dbraw/zinc/17/10/63/173171063.db2.gz IDQTWWIBOGONGR-UHFFFAOYSA-N 1 0 275.179 3.240 10 0 CGAERO COC(C[NH2+]Cc1ccc(-c2ccccc2)s1)OC ZINC000037389191 173172191 /nfs/dbraw/zinc/17/21/91/173172191.db2.gz FBPRDJZFHQPHSY-UHFFFAOYSA-N 1 0 277.389 3.124 10 0 CGAERO CC[NH2+]C[C@H](O)COc1cc(C(C)C)c(Cl)cc1C ZINC000037429113 173199914 /nfs/dbraw/zinc/19/99/14/173199914.db2.gz ZFRLBWBLJMCORA-LBPRGKRZSA-N 1 0 285.815 3.121 10 0 CGAERO COc1ccc([C@@](C)([NH3+])Cc2ccccc2F)cc1 ZINC000037531493 173253403 /nfs/dbraw/zinc/25/34/03/173253403.db2.gz SIMXVCIUJFYBTD-INIZCTEOSA-N 1 0 259.324 3.251 10 0 CGAERO CCC[NH2+][C@H](CCc1ccccc1)c1cnccn1 ZINC000037536099 173255127 /nfs/dbraw/zinc/25/51/27/173255127.db2.gz IGYZMBWXNHVSSM-OAHLLOKOSA-N 1 0 255.365 3.150 10 0 CGAERO CCOc1cc(C[C@H](C)[NH3+])ccc1OCC=C(C)C ZINC000037726089 173644643 /nfs/dbraw/zinc/64/46/43/173644643.db2.gz ROLHKGAHCVSTTB-ZDUSSCGKSA-N 1 0 263.381 3.320 10 0 CGAERO COc1cc(F)c([C@@H]([NH3+])c2ccc(F)cc2)c(F)c1 ZINC000037903329 173833953 /nfs/dbraw/zinc/83/39/53/173833953.db2.gz VHPACLLQXNGMKD-AWEZNQCLSA-N 1 0 267.250 3.161 10 0 CGAERO CC[C@H]([NH2+]C[C@H](C)N1CCCCC1)c1ccc(O)cc1 ZINC000038028386 174016692 /nfs/dbraw/zinc/01/66/92/174016692.db2.gz XFMUFUXDLWZNSN-YOEHRIQHSA-N 1 0 276.424 3.307 10 0 CGAERO FC(F)Oc1ccc(NC2CC[NH2+]CC2)cc1Cl ZINC000038040623 174041032 /nfs/dbraw/zinc/04/10/32/174041032.db2.gz XKCZVUZYALSTHK-UHFFFAOYSA-N 1 0 276.714 3.105 10 0 CGAERO [NH3+]Cc1ccc(-n2cc(Cl)cn2)cc1C(F)(F)F ZINC000038053203 174064485 /nfs/dbraw/zinc/06/44/85/174064485.db2.gz SBHIVCNXEIXWAK-UHFFFAOYSA-N 1 0 275.661 3.003 10 0 CGAERO CC[NH2+][C@@H](C)c1ccccc1-n1cc(Br)cn1 ZINC000038054452 174065865 /nfs/dbraw/zinc/06/58/65/174065865.db2.gz PMOYNPBIRSTMMP-JTQLQIEISA-N 1 0 294.196 3.305 10 0 CGAERO Cc1ccccc1[C@@H]([NH3+])c1ccc2c(c1)CCCO2 ZINC000038057713 174068083 /nfs/dbraw/zinc/06/80/83/174068083.db2.gz CNAQHBYTLBOVSW-KRWDZBQOSA-N 1 0 253.345 3.368 10 0 CGAERO Cc1ccc([C@H]([NH3+])c2ccc3c(c2)CCCO3)cc1 ZINC000038057696 174068405 /nfs/dbraw/zinc/06/84/05/174068405.db2.gz ARFLZCBSUFPPJA-KRWDZBQOSA-N 1 0 253.345 3.368 10 0 CGAERO C[NH2+]Cc1ccc(F)c(-c2ccc3c(c2)CCO3)c1 ZINC000038072991 174083483 /nfs/dbraw/zinc/08/34/83/174083483.db2.gz HVOLCSOFVAMQCE-UHFFFAOYSA-N 1 0 257.308 3.147 10 0 CGAERO O=C(CC1CC[NH2+]CC1)Nc1ccc(Cl)cc1Cl ZINC000038074972 174084376 /nfs/dbraw/zinc/08/43/76/174084376.db2.gz QOEMQFFDUWGQNE-UHFFFAOYSA-N 1 0 287.190 3.322 10 0 CGAERO C[C@H](CN[C@H](CC(F)(F)F)c1ccccc1)[NH+](C)C ZINC000038087498 174099561 /nfs/dbraw/zinc/09/95/61/174099561.db2.gz LQRORXQUWVZBMY-DGCLKSJQSA-N 1 0 274.330 3.220 10 0 CGAERO Oc1cccc([C@@H]2C[NH2+]Cc3sc(Cl)cc32)c1 ZINC000038157522 174134724 /nfs/dbraw/zinc/13/47/24/174134724.db2.gz IWURIMYQYPDYTB-NSHDSACASA-N 1 0 265.765 3.342 10 0 CGAERO C[NH2+]Cc1nc2ccc(Cl)cc2n1Cc1ccco1 ZINC000040410096 174254414 /nfs/dbraw/zinc/25/44/14/174254414.db2.gz ZERWEWBQOWVSBO-UHFFFAOYSA-N 1 0 275.739 3.050 10 0 CGAERO Cn1c2ccc(C(F)(F)F)cc2nc1[C@@H]1CCC[NH2+]1 ZINC000040417102 174256176 /nfs/dbraw/zinc/25/61/76/174256176.db2.gz VTYSVUVWXHYOGG-VIFPVBQESA-N 1 0 269.270 3.017 10 0 CGAERO Cc1nc(C)c([C@H](C)NC2CC[NH+](C(C)C)CC2)s1 ZINC000040517523 174307732 /nfs/dbraw/zinc/30/77/32/174307732.db2.gz LNXCHVZBTLLNMG-LBPRGKRZSA-N 1 0 281.469 3.283 10 0 CGAERO CC[C@@H]([NH2+][C@H](C)c1ccc(O)c(OC)c1)C(C)C ZINC000042584966 174808038 /nfs/dbraw/zinc/80/80/38/174808038.db2.gz ZGCBHCYEZWIPOT-DGCLKSJQSA-N 1 0 251.370 3.486 10 0 CGAERO CC(C)C[C@@H](C)N(C)C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000042592959 174812775 /nfs/dbraw/zinc/81/27/75/174812775.db2.gz GSFLIISSXYIITB-UGUYLWEFSA-N 1 0 252.446 3.274 10 0 CGAERO C[NH2+]Cc1ccccc1N(CC(F)(F)F)C(C)C ZINC000042778002 174874795 /nfs/dbraw/zinc/87/47/95/174874795.db2.gz PCGRZBAKYRBVCW-UHFFFAOYSA-N 1 0 260.303 3.183 10 0 CGAERO Cc1ccc([C@H]([C@@H](C)[NH3+])N(C)Cc2ccoc2)cc1 ZINC000042909011 174909446 /nfs/dbraw/zinc/90/94/46/174909446.db2.gz VZAFQESMJKXYCP-CJNGLKHVSA-N 1 0 258.365 3.108 10 0 CGAERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)cc1)n1nc(C)cc1C ZINC000042915862 174915791 /nfs/dbraw/zinc/91/57/91/174915791.db2.gz ALYFIAWXHQXEIZ-HZPDHXFCSA-N 1 0 257.381 3.135 10 0 CGAERO [NH3+]C[C@@H](OCc1ccco1)c1ccc(Cl)cc1 ZINC000042947838 174923005 /nfs/dbraw/zinc/92/30/05/174923005.db2.gz NCMUOBCOWKREOX-CYBMUJFWSA-N 1 0 251.713 3.150 10 0 CGAERO CC[C@H]([NH3+])[C@H](SCC(=O)OC)c1cccc(Cl)c1 ZINC000043019538 174945138 /nfs/dbraw/zinc/94/51/38/174945138.db2.gz RQPBXRBAJOXVQB-WCQYABFASA-N 1 0 287.812 3.025 10 0 CGAERO CC[C@@H]([NH3+])[C@H](OCc1ccco1)c1ccccc1F ZINC000043046579 174956839 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Cc1cn[nH]c1C[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000685612014 544089480 /nfs/dbraw/zinc/08/94/80/544089480.db2.gz YFSNBRJRONAOTQ-ORVZXPRGSA-N 1 0 273.424 3.413 10 0 CGAERO CC(C)C[NH+](CC(C)C)C[C@H]1C[C@]1(CO)C(C)C ZINC000725267054 544114422 /nfs/dbraw/zinc/11/44/22/544114422.db2.gz DGZBFIMLKAGPKX-CVEARBPZSA-N 1 0 255.446 3.255 10 0 CGAERO CCC[C@H](C(=O)N(CC)Cc1ccccc1C)[NH+](C)C ZINC000135252619 287465208 /nfs/dbraw/zinc/46/52/08/287465208.db2.gz LWZLWPYMNRHPLK-MRXNPFEDSA-N 1 0 276.424 3.074 10 0 CGAERO COc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)cc1OC ZINC000660187347 419095785 /nfs/dbraw/zinc/09/57/85/419095785.db2.gz BBTPFNVBGVHDPT-VIRABCJISA-N 1 0 275.392 3.401 10 0 CGAERO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCOc3ccccc32)CS1 ZINC000655683652 419063431 /nfs/dbraw/zinc/06/34/31/419063431.db2.gz UBLQOOGDWGBXOD-YRGRVCCFSA-N 1 0 263.406 3.384 10 0 CGAERO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]CCO[C@@H]1CC1(F)F ZINC000660909111 419209144 /nfs/dbraw/zinc/20/91/44/419209144.db2.gz RFOQGHCILMXHHQ-KXUCPTDWSA-N 1 0 287.272 3.121 10 0 CGAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000191176269 287588727 /nfs/dbraw/zinc/58/87/27/287588727.db2.gz BVPLWWBMLRXAIG-SJLPKXTDSA-N 1 0 289.419 3.116 10 0 CGAERO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccs1 ZINC000035206915 270027607 /nfs/dbraw/zinc/02/76/07/270027607.db2.gz FTNNPTXAQBGNSH-GHMZBOCLSA-N 1 0 268.426 3.092 10 0 CGAERO COc1ccc([C@H](C)[NH2+][C@H](CC(C)C)CN(C)C)cc1 ZINC000037167128 270028845 /nfs/dbraw/zinc/02/88/45/270028845.db2.gz UAZVALKDDXIPDG-GOEBONIOSA-N 1 0 278.440 3.322 10 0 CGAERO CCC(C)(C)NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000042269373 270032135 /nfs/dbraw/zinc/03/21/35/270032135.db2.gz CZHLDLJLZRKXPI-VIFPVBQESA-N 1 0 288.844 3.357 10 0 CGAERO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1C ZINC000042337306 270032496 /nfs/dbraw/zinc/03/24/96/270032496.db2.gz QFCZGSQXEBTJBS-ZIAGYGMSSA-N 1 0 276.424 3.339 10 0 CGAERO Cc1cccc(OCC[NH2+][C@@H]2CCc3c2cccc3O)c1 ZINC000042895803 270033498 /nfs/dbraw/zinc/03/34/98/270033498.db2.gz KVGBKGQWKDXBLV-QGZVFWFLSA-N 1 0 283.371 3.357 10 0 CGAERO Cc1cnn(CC[NH2+][C@@H]2CCC[C@H](CC(C)C)C2)c1 ZINC000232617123 287646023 /nfs/dbraw/zinc/64/60/23/287646023.db2.gz OIHYUUBEJZZTLR-HZPDHXFCSA-N 1 0 263.429 3.386 10 0 CGAERO CCCCCc1ccc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000085370864 270043637 /nfs/dbraw/zinc/04/36/37/270043637.db2.gz FNHRUXKVMXHGCA-CVEARBPZSA-N 1 0 274.408 3.485 10 0 CGAERO CCCCNC(=O)C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000102686767 270044844 /nfs/dbraw/zinc/04/48/44/270044844.db2.gz OAQJSBSHAWARPV-AWEZNQCLSA-N 1 0 284.403 3.407 10 0 CGAERO Cc1ccccc1CCC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000103432220 270046028 /nfs/dbraw/zinc/04/60/28/270046028.db2.gz NDYFMJQFSDIWPU-QGZVFWFLSA-N 1 0 290.451 3.020 10 0 CGAERO O[C@@H]1CCCC[C@@H]1C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000183718098 270056049 /nfs/dbraw/zinc/05/60/49/270056049.db2.gz RQUDTOGYXZPXQJ-FKZOYECMSA-N 1 0 293.373 3.496 10 0 CGAERO [NH3+][C@H](CF)c1ccc(Cl)c(Br)c1 ZINC000238684668 265368932 /nfs/dbraw/zinc/36/89/32/265368932.db2.gz ACSFMBIDRKEJIT-MRVPVSSYSA-N 1 0 252.514 3.072 10 0 CGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CCC2CC2)C12CCOCC2 ZINC000186581143 270066324 /nfs/dbraw/zinc/06/63/24/270066324.db2.gz MQQRGIPKTIRBJR-CWRNSKLLSA-N 1 0 281.440 3.129 10 0 CGAERO CSc1ccc(N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000520793647 270098898 /nfs/dbraw/zinc/09/88/98/270098898.db2.gz DJSCQZIELOBACS-VXGBXAGGSA-N 1 0 250.411 3.209 10 0 CGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000245640019 287673485 /nfs/dbraw/zinc/67/34/85/287673485.db2.gz YJQVEDGJNPDOFE-NQCMUKECSA-N 1 0 297.446 3.491 10 0 CGAERO C[C@@H]1CCC[N@H+](Cc2cccc3ccccc32)[C@@H]1CN ZINC000070175395 274291376 /nfs/dbraw/zinc/29/13/76/274291376.db2.gz BVLAWGLPWZRTJP-RDTXWAMCSA-N 1 0 268.404 3.399 10 0 CGAERO C[C@H](Cc1ccccc1F)[NH2+][C@H]1Cc2ccccc2[C@H]1O ZINC000249171066 274498424 /nfs/dbraw/zinc/49/84/24/274498424.db2.gz BOKCEWCWFVDXPC-OCBCSQNSSA-N 1 0 285.362 3.005 10 0 CGAERO O[C@]1(c2ccccc2)[C@@H]2C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000100645502 275060590 /nfs/dbraw/zinc/06/05/90/275060590.db2.gz DATNYIBLRZAURZ-REPLKXPHSA-N 1 0 279.383 3.026 10 0 CGAERO CC(C)c1ccc([C@H](C)[NH2+]CC[C@@H]2CCOC2=O)cc1 ZINC000177649964 275748153 /nfs/dbraw/zinc/74/81/53/275748153.db2.gz IEROCIMTCUTZBO-XJKSGUPXSA-N 1 0 275.392 3.414 10 0 CGAERO CC(C)(C[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)c1ccccc1 ZINC000250110680 275861388 /nfs/dbraw/zinc/86/13/88/275861388.db2.gz SVCUJCFGQFPEOL-ARFHVFGLSA-N 1 0 259.393 3.121 10 0 CGAERO CC1CCC(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085638351 275929157 /nfs/dbraw/zinc/92/91/57/275929157.db2.gz AQIXTDPFRUOQAU-HGSUQPQSSA-N 1 0 251.414 3.216 10 0 CGAERO CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000227871573 276375949 /nfs/dbraw/zinc/37/59/49/276375949.db2.gz NMUBGZXPAUSHOK-OAGGEKHMSA-N 1 0 250.430 3.029 10 0 CGAERO CN(C)c1ccccc1C[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000173572477 276888658 /nfs/dbraw/zinc/88/86/58/276888658.db2.gz 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COCCCO[C@H](C[NH2+]C(C)C)c1cccc(C)c1 ZINC000050486495 523408973 /nfs/dbraw/zinc/40/89/73/523408973.db2.gz KZQYPNFQLQTCMR-MRXNPFEDSA-N 1 0 265.397 3.087 10 0 CGAERO COc1ccc(C)cc1C[C@@H]([NH3+])c1ccc(F)cc1 ZINC000050706521 523814240 /nfs/dbraw/zinc/81/42/40/523814240.db2.gz XWYIMYBXRFIDEW-OAHLLOKOSA-N 1 0 259.324 3.385 10 0 CGAERO CCc1cc(OCC[NH2+]C2CCOCC2)ccc1Cl ZINC000062768142 523840832 /nfs/dbraw/zinc/84/08/32/523840832.db2.gz FUVFHELKEXPCJS-UHFFFAOYSA-N 1 0 283.799 3.050 10 0 CGAERO COc1ccc(C)cc1[C@]1([NH3+])CCc2ccccc21 ZINC000055261957 523860806 /nfs/dbraw/zinc/86/08/06/523860806.db2.gz DSOIFGYHAQCZBS-KRWDZBQOSA-N 1 0 253.345 3.152 10 0 CGAERO C[C@@H]1CCCN1Cc1csc(C[NH2+]C(C)(C)C)n1 ZINC000052375547 524261382 /nfs/dbraw/zinc/26/13/82/524261382.db2.gz OTILUUSFRMPLIO-LLVKDONJSA-N 1 0 267.442 3.016 10 0 CGAERO Cc1cc(C)c(N2CC[C@@H](C[NH2+]C3CC3)C2)c(C)c1 ZINC000053010492 524276926 /nfs/dbraw/zinc/27/69/26/524276926.db2.gz IORQRCSHFCLPMO-HNNXBMFYSA-N 1 0 258.409 3.190 10 0 CGAERO C[C@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccccc1 ZINC000085630630 524506247 /nfs/dbraw/zinc/50/62/47/524506247.db2.gz IWVMTZDJMKVLFH-OEAJRASXSA-N 1 0 259.393 3.193 10 0 CGAERO COc1ccccc1[C@H](C)[NH2+][C@H]1CCCCC[C@H]1O ZINC000149190418 524782570 /nfs/dbraw/zinc/78/25/70/524782570.db2.gz WNPMEXBSGVXVGK-AEGPPILISA-N 1 0 263.381 3.039 10 0 CGAERO C[C@H]([NH3+])Cc1cnc(Cc2ccc(Cl)cc2Cl)nc1 ZINC000054857841 524834426 /nfs/dbraw/zinc/83/44/26/524834426.db2.gz SCNSSNHSJGBCHE-VIFPVBQESA-N 1 0 296.201 3.264 10 0 CGAERO C[C@H]([NH3+])[C@@H](OC1CCC1)c1cc(Br)cs1 ZINC000050519275 524836615 /nfs/dbraw/zinc/83/66/15/524836615.db2.gz HVXAMXFJFALHKB-WRWORJQWSA-N 1 0 290.226 3.468 10 0 CGAERO C[C@H]([NH3+])c1cc(F)ccc1OCc1cccs1 ZINC000049585736 524861469 /nfs/dbraw/zinc/86/14/69/524861469.db2.gz DBQLSVJCFRXCQB-VIFPVBQESA-N 1 0 251.326 3.486 10 0 CGAERO Cc1cc(Cl)cc(C)c1OCC[NH2+]C1CCOCC1 ZINC000062768053 524862697 /nfs/dbraw/zinc/86/26/97/524862697.db2.gz PHEKOICUUVTDNU-UHFFFAOYSA-N 1 0 283.799 3.104 10 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OSISHNBPFHUISN-QWHCGFSZSA-N 1 0 288.435 3.017 10 0 CGAERO C[C@@H]1C[C@@H](OCc2cc(C[NH3+])co2)CC(C)(C)C1 ZINC000052629389 525284752 /nfs/dbraw/zinc/28/47/52/525284752.db2.gz IYNZGXNZKMGMRB-DGCLKSJQSA-N 1 0 251.370 3.470 10 0 CGAERO C[C@H]([NH2+]CCN(C)C1CC1)c1ccc(Cl)cc1 ZINC000061992604 525347160 /nfs/dbraw/zinc/34/71/60/525347160.db2.gz QWWYUWKVNRVHGA-NSHDSACASA-N 1 0 252.789 3.085 10 0 CGAERO COc1ccc([C@H](C[NH3+])Nc2ccc(C)cc2)cc1OC ZINC000057597348 525351149 /nfs/dbraw/zinc/35/11/49/525351149.db2.gz UJVVILOFYXHJJC-HNNXBMFYSA-N 1 0 286.375 3.124 10 0 CGAERO Cc1cc([C@H](C[NH3+])N(C)CC(C)(C)C)ccc1F ZINC000050558602 525537042 /nfs/dbraw/zinc/53/70/42/525537042.db2.gz FONFUPJYKZQFSP-AWEZNQCLSA-N 1 0 252.377 3.112 10 0 CGAERO C[C@@H]1[C@@H](C)CCCN1c1ccc(C(N)=[NH2+])c(Cl)c1 ZINC000061856766 525643659 /nfs/dbraw/zinc/64/36/59/525643659.db2.gz CHQJHOUSMVMAPL-VHSXEESVSA-N 1 0 265.788 3.249 10 0 CGAERO C[C@H](Nc1cc(F)c(F)c(F)c1)C1CC[NH+](C)CC1 ZINC000061115744 525644081 /nfs/dbraw/zinc/64/40/81/525644081.db2.gz XOOBMVKPRBQEBP-VIFPVBQESA-N 1 0 272.314 3.246 10 0 CGAERO C[C@@H](c1cccs1)N(C)Cc1[nH+]c(NN)ccc1Cl ZINC000061631576 526145191 /nfs/dbraw/zinc/14/51/91/526145191.db2.gz MDHRPINZUPDRGE-VIFPVBQESA-N 1 0 296.827 3.275 10 0 CGAERO Cc1cncc([C@@H](C)[NH2+][C@H](CN(C)C)c2ccccc2)c1 ZINC000184263419 526213501 /nfs/dbraw/zinc/21/35/01/526213501.db2.gz TVDDDLBFTNUICE-CRAIPNDOSA-N 1 0 283.419 3.344 10 0 CGAERO Fc1ccc(C(F)(F)F)cc1N[C@H]1CCC[NH2+]C1 ZINC000062655869 526326013 /nfs/dbraw/zinc/32/60/13/526326013.db2.gz MDVCWUHTXNWBAP-VIFPVBQESA-N 1 0 262.250 3.008 10 0 CGAERO Cc1nc(Cc2c(Cl)cccc2Cl)nc(C)c1C[NH3+] ZINC000054836944 526925904 /nfs/dbraw/zinc/92/59/04/526925904.db2.gz JZNOXBSHIVOUIJ-UHFFFAOYSA-N 1 0 296.201 3.450 10 0 CGAERO Cc1nc(Cc2cc(F)cc(F)c2)sc1[C@H](C)[NH3+] ZINC000049349635 526926466 /nfs/dbraw/zinc/92/64/66/526926466.db2.gz QGOKCNPHSMLGBT-ZETCQYMHSA-N 1 0 268.332 3.340 10 0 CGAERO Cc1nc(N2CCCCCCC2)sc1[C@@H](C)[NH3+] ZINC000054894806 526964197 /nfs/dbraw/zinc/96/41/97/526964197.db2.gz SPCCXGQDSYYLLV-SNVBAGLBSA-N 1 0 253.415 3.242 10 0 CGAERO Clc1ccccc1CN1CC[NH2+]Cc2ccccc21 ZINC000062666638 526988988 /nfs/dbraw/zinc/98/89/88/526988988.db2.gz NTWLSXRPEBPNCG-UHFFFAOYSA-N 1 0 272.779 3.450 10 0 CGAERO Clc1cnc(N2CCC[C@H]2C[NH2+]C2CC2)c(Cl)c1 ZINC000053694731 526997281 /nfs/dbraw/zinc/99/72/81/526997281.db2.gz FGIVNCUEHFSCDZ-NSHDSACASA-N 1 0 286.206 3.109 10 0 CGAERO [NH3+]CCCCNc1ccccc1Cc1ccccc1 ZINC000051040672 527176853 /nfs/dbraw/zinc/17/68/53/527176853.db2.gz UMJQCAGFRRYOEN-UHFFFAOYSA-N 1 0 254.377 3.428 10 0 CGAERO [NH3+]C[C@H](CCOCC(F)(F)F)Cc1ccc(Cl)cc1 ZINC000052947615 527225465 /nfs/dbraw/zinc/22/54/65/527225465.db2.gz ZDXQILLLQSOMIX-LLVKDONJSA-N 1 0 295.732 3.426 10 0 CGAERO [NH3+]Cc1cc(F)c(Oc2cccc(F)c2F)c(F)c1 ZINC000062721202 527248935 /nfs/dbraw/zinc/24/89/35/527248935.db2.gz NABVAXFKOYYXCG-UHFFFAOYSA-N 1 0 271.213 3.494 10 0 CGAERO Cc1ncc(CNC2=[NH+][C@H](CC(C)C)CS2)s1 ZINC000049534279 527268435 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528130946 /nfs/dbraw/zinc/13/09/46/528130946.db2.gz YEMMNKFOKGRENB-ZIAGYGMSSA-N 1 0 297.464 3.141 10 0 CGAERO CC[NH+](CC)CCSCc1nccn1C(C)C ZINC000176947787 528164235 /nfs/dbraw/zinc/16/42/35/528164235.db2.gz OORIMUSQFPIDSZ-UHFFFAOYSA-N 1 0 255.431 3.039 10 0 CGAERO CCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2[C@H]3COC[C@H]32)cc1 ZINC000367697267 528720206 /nfs/dbraw/zinc/72/02/06/528720206.db2.gz BHGHFXUECZNKCS-YYQUZTFQSA-N 1 0 275.392 3.018 10 0 CGAERO CCCOc1cccc(C[NH2+][C@@H]2CCCC[C@H]2CO)c1 ZINC000152309693 528757740 /nfs/dbraw/zinc/75/77/40/528757740.db2.gz VCNJFAJCGQRNGP-DOTOQJQBSA-N 1 0 277.408 3.116 10 0 CGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(C)(C)CC(C)C ZINC000177331830 529095368 /nfs/dbraw/zinc/09/53/68/529095368.db2.gz NZNUXQLULYDYBV-AWEZNQCLSA-N 1 0 268.445 3.001 10 0 CGAERO CCCCc1ccc(NC(=O)[C@]2(C)CCC[NH2+]C2)cc1 ZINC000062853584 535094409 /nfs/dbraw/zinc/09/44/09/535094409.db2.gz ZHAGEDCOHZXSND-QGZVFWFLSA-N 1 0 274.408 3.357 10 0 CGAERO O[C@@H]1CCC[C@H]([NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000217639262 572395249 /nfs/dbraw/zinc/39/52/49/572395249.db2.gz TUHMCXXJCGAZRK-OUCADQQQSA-N 1 0 263.406 3.117 10 0 CGAERO CSc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](O)C2)cc1 ZINC000217643993 572395850 /nfs/dbraw/zinc/39/58/50/572395850.db2.gz GTMACXOHGYXFIN-IACUBPJLSA-N 1 0 265.422 3.363 10 0 CGAERO CC[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1ccc(F)cc1 ZINC000217672575 572396825 /nfs/dbraw/zinc/39/68/25/572396825.db2.gz DEYSRUHXJZXNGD-ZNMIVQPWSA-N 1 0 251.345 3.170 10 0 CGAERO CC[C@H](C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000263615759 572606862 /nfs/dbraw/zinc/60/68/62/572606862.db2.gz FCLAAKQIHWIKQY-HZMVEIRTSA-N 1 0 287.403 3.349 10 0 CGAERO CN(C)C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1 ZINC000311892929 572871437 /nfs/dbraw/zinc/87/14/37/572871437.db2.gz WRCWVHUSSQUGHE-HZMVEIRTSA-N 1 0 258.409 3.068 10 0 CGAERO OC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000300412619 617787876 /nfs/dbraw/zinc/78/78/76/617787876.db2.gz UKBWHGGPVYBFFH-HMDCTGQHSA-N 1 0 265.441 3.486 10 0 CGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)/C=C(/C)c1ccccc1 ZINC000255205984 618075890 /nfs/dbraw/zinc/07/58/90/618075890.db2.gz HOOCLWFMWXNJRO-REZBVGGZSA-N 1 0 286.419 3.033 10 0 CGAERO CO[C@@H]1C[C@H]([NH2+][C@H]2CCOc3ccccc32)C12CCC2 ZINC000308365814 618212258 /nfs/dbraw/zinc/21/22/58/618212258.db2.gz LAYLZQOERNAOBO-CWRNSKLLSA-N 1 0 273.376 3.057 10 0 CGAERO Cc1cc(C[NH3+])ccc1-c1cncc(OC(C)C)c1 ZINC000212599117 618542577 /nfs/dbraw/zinc/54/25/77/618542577.db2.gz VBYLDCIWIKELSL-UHFFFAOYSA-N 1 0 256.349 3.303 10 0 CGAERO Cc1cc(C[NH3+])ccc1-c1ccc2c(c1)C[C@@H](C)O2 ZINC000091473662 618671476 /nfs/dbraw/zinc/67/14/76/618671476.db2.gz RZBIQJYPAZVYSC-GFCCVEGCSA-N 1 0 253.345 3.444 10 0 CGAERO Cc1cc(NCCCCCC[NH3+])ncc1Br ZINC000235771383 618824677 /nfs/dbraw/zinc/82/46/77/618824677.db2.gz JRSAYRGIXNZQRO-UHFFFAOYSA-N 1 0 286.217 3.084 10 0 CGAERO CCCC[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC000310003873 619067198 /nfs/dbraw/zinc/06/71/98/619067198.db2.gz 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ZINC000616612590 348845751 /nfs/dbraw/zinc/84/57/51/348845751.db2.gz WQYUCTIOOTYRNF-CYBMUJFWSA-N 1 0 270.417 3.116 10 0 CGAERO c1cc([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)no1 ZINC000616629116 348851984 /nfs/dbraw/zinc/85/19/84/348851984.db2.gz LLHQNBANKHFKPA-HNNXBMFYSA-N 1 0 256.349 3.444 10 0 CGAERO c1ccc(C[N@@H+]2CCCC[C@H](c3cccnn3)C2)cc1 ZINC000616630414 348852386 /nfs/dbraw/zinc/85/23/86/348852386.db2.gz XMBNHDBBEXKNIL-INIZCTEOSA-N 1 0 267.376 3.246 10 0 CGAERO CC(C)(C)OC(=O)Nc1ccc([C@@H]2C[NH2+]CCCO2)cc1 ZINC000616652369 348857135 /nfs/dbraw/zinc/85/71/35/348857135.db2.gz LLDXZWMUENSTBV-AWEZNQCLSA-N 1 0 292.379 3.085 10 0 CGAERO CC(C)[N@@H+]1CCOC[C@H](c2ccc3ccncc3c2)C1 ZINC000616659511 348858904 /nfs/dbraw/zinc/85/89/04/348858904.db2.gz KMJRQEPPRZVBJG-QGZVFWFLSA-N 1 0 270.376 3.059 10 0 CGAERO CC(C)[N@@H+]1CCOC[C@@H](c2ccccc2Cl)C1 ZINC000616661229 348858936 /nfs/dbraw/zinc/85/89/36/348858936.db2.gz NDXSFQMNXMRJNE-LBPRGKRZSA-N 1 0 253.773 3.164 10 0 CGAERO CC(C)[N@@H+]1CCOC[C@@H](c2cccc(Cl)c2)C1 ZINC000616660490 348859097 /nfs/dbraw/zinc/85/90/97/348859097.db2.gz JBJOOQUZWWVNSA-ZDUSSCGKSA-N 1 0 253.773 3.164 10 0 CGAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2ccc3ccnnc3c2)CC1 ZINC000616666006 348859874 /nfs/dbraw/zinc/85/98/74/348859874.db2.gz CILUBZQMJACGCK-MRXNPFEDSA-N 1 0 285.391 3.192 10 0 CGAERO CC[N@@H+]1CCO[C@@H](c2ccc3ncccc3c2)CC1 ZINC000616666495 348860012 /nfs/dbraw/zinc/86/00/12/348860012.db2.gz VLDRLIHBYORWAL-MRXNPFEDSA-N 1 0 256.349 3.018 10 0 CGAERO OCC[N@@H+]1CCc2ccccc2[C@@H]1c1ccc(Cl)cc1 ZINC000616679363 348864811 /nfs/dbraw/zinc/86/48/11/348864811.db2.gz UNQOHALWYDRTCK-KRWDZBQOSA-N 1 0 287.790 3.280 10 0 CGAERO C[C@H](N[C@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1Br ZINC000358391718 233123983 /nfs/dbraw/zinc/12/39/83/233123983.db2.gz FKIXUAUHNOZFJQ-MJVIPROJSA-N 1 0 297.240 3.050 10 0 CGAERO CC1CCC(C[NH3+])(Nc2nc3ccccc3o2)CC1 ZINC000104308528 185962001 /nfs/dbraw/zinc/96/20/01/185962001.db2.gz XOFZSHBNZROTNA-UHFFFAOYSA-N 1 0 259.353 3.147 10 0 CGAERO c1csc(CNc2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000104355621 185981796 /nfs/dbraw/zinc/98/17/96/185981796.db2.gz HPGDUARWQKNYOU-UHFFFAOYSA-N 1 0 273.405 3.351 10 0 CGAERO CCC(CC)[C@H](C)[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000104433238 186000659 /nfs/dbraw/zinc/00/06/59/186000659.db2.gz PRELZOLPWYPTPQ-XHDPSFHLSA-N 1 0 253.361 3.273 10 0 CGAERO Cc1ncsc1CN(C)[C@H](c1cccs1)[C@@H](C)[NH3+] ZINC000104449297 186006033 /nfs/dbraw/zinc/00/60/33/186006033.db2.gz ICSZPEQORMIDFF-RNCFNFMXSA-N 1 0 281.450 3.033 10 0 CGAERO Cc1c(C[NH2+]CC(C)C)cnn1-c1ccc(C)cc1 ZINC000091335189 180136260 /nfs/dbraw/zinc/13/62/60/180136260.db2.gz OJPQBAHSQNVCCK-UHFFFAOYSA-N 1 0 257.381 3.235 10 0 CGAERO Cc1ccc(Oc2ccccc2NC(=O)CCC[NH3+])cc1 ZINC000040857999 137887693 /nfs/dbraw/zinc/88/76/93/137887693.db2.gz NHXCHIDNCZXLSE-UHFFFAOYSA-N 1 0 284.359 3.465 10 0 CGAERO OCCC[C@H]1CCC[N@@H+]1CCCCc1ccccc1 ZINC000122302664 187026076 /nfs/dbraw/zinc/02/60/76/187026076.db2.gz RTLIHVUZDPXXLK-QGZVFWFLSA-N 1 0 261.409 3.246 10 0 CGAERO CCc1nccn1[C@H]1CCC[N@H+](Cc2ccccc2OC)C1 ZINC000122932944 187060579 /nfs/dbraw/zinc/06/05/79/187060579.db2.gz OSNCYVBZBQPHDU-INIZCTEOSA-N 1 0 299.418 3.291 10 0 CGAERO Cn1cncc1C[NH2+][C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000131291508 282789797 /nfs/dbraw/zinc/78/97/97/282789797.db2.gz CGGGRDYBLDABPB-INIZCTEOSA-N 1 0 297.402 3.346 10 0 CGAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccccc1Cl ZINC000364240052 234026282 /nfs/dbraw/zinc/02/62/82/234026282.db2.gz ATIRQRYSNZDDCH-CHWSQXEVSA-N 1 0 292.810 3.039 10 0 CGAERO CC(C)(C)[C@@H](O)C[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000271653755 191261520 /nfs/dbraw/zinc/26/15/20/191261520.db2.gz GJHHYSLKPSJDMQ-GJZGRUSLSA-N 1 0 265.372 3.273 10 0 CGAERO Fc1cccc(F)c1[C@H]1CC[N@H+](Cc2cc[nH]c2)C1 ZINC000187594533 283016188 /nfs/dbraw/zinc/01/61/88/283016188.db2.gz YAHZMCZJDFOLGL-LBPRGKRZSA-N 1 0 262.303 3.282 10 0 CGAERO c1ccc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)nc1 ZINC000104959711 138350591 /nfs/dbraw/zinc/35/05/91/138350591.db2.gz JWXISZWXGKACGU-HNNXBMFYSA-N 1 0 282.343 3.147 10 0 CGAERO COc1c(C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)c(C)nn1C ZINC000093689605 138348565 /nfs/dbraw/zinc/34/85/65/138348565.db2.gz BCJHKTQTDZLGJB-GOEBONIOSA-N 1 0 299.418 3.115 10 0 CGAERO c1cc(C2CC[NH+](CCSc3ccccc3)CC2)n[nH]1 ZINC000117876613 138366301 /nfs/dbraw/zinc/36/63/01/138366301.db2.gz BQGWDDGREPATAJ-UHFFFAOYSA-N 1 0 287.432 3.381 10 0 CGAERO Cc1ccc([C@H]2CCCCN2CC(=O)NCC2CCC2)o1 ZINC000124610343 138376213 /nfs/dbraw/zinc/37/62/13/138376213.db2.gz RYWKSZANJHPGMF-OAHLLOKOSA-N 1 0 290.407 3.031 10 0 CGAERO Cc1ccc(CC[NH+]2CCC(Cn3cccn3)CC2)cc1 ZINC000124635288 138376889 /nfs/dbraw/zinc/37/68/89/138376889.db2.gz RCXBKHWBGCEYBR-UHFFFAOYSA-N 1 0 283.419 3.146 10 0 CGAERO Cc1cnn([C@@H]2CCC[N@H+](CCc3ccc(C)cc3)C2)c1 ZINC000124654572 138376972 /nfs/dbraw/zinc/37/69/72/138376972.db2.gz KODYSXKPVHCELW-GOSISDBHSA-N 1 0 283.419 3.380 10 0 CGAERO Cc1cnn(CC[NH2+][C@@H]2CCCOc3ccc(C)cc32)c1 ZINC000123907460 138371270 /nfs/dbraw/zinc/37/12/70/138371270.db2.gz LLLRJBJRUPQCRO-MRXNPFEDSA-N 1 0 285.391 3.003 10 0 CGAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(Cl)c1F ZINC000125157149 138380110 /nfs/dbraw/zinc/38/01/10/138380110.db2.gz AYPFZZJCDDAXKB-ZWNOBZJWSA-N 1 0 271.763 3.120 10 0 CGAERO Fc1ccccc1NC1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000128937823 138395498 /nfs/dbraw/zinc/39/54/98/138395498.db2.gz MDZJKLPVJPTQIS-OAHLLOKOSA-N 1 0 292.398 3.271 10 0 CGAERO OC[C@H]1CCCC[C@H]1[NH2+]C1CC(c2ccccc2F)C1 ZINC000127615906 138390109 /nfs/dbraw/zinc/39/01/09/138390109.db2.gz DUAIGESSUSBLBH-QROZZAMVSA-N 1 0 277.383 3.212 10 0 CGAERO Fc1ccccc1C1=CCN(CC[NH+]2CCCCC2)CC1 ZINC000127754304 138390870 /nfs/dbraw/zinc/39/08/70/138390870.db2.gz XRXGUVKCQZMJBX-UHFFFAOYSA-N 1 0 288.410 3.401 10 0 CGAERO CC[C@H](C)[C@H](C)[NH2+]C1CCN(c2cccc(C)n2)CC1 ZINC000128083920 138392055 /nfs/dbraw/zinc/39/20/55/138392055.db2.gz PCKPBIQMYAWPEY-ZFWWWQNUSA-N 1 0 275.440 3.383 10 0 CGAERO C[C@H](C(=O)Nc1ccc(F)cc1F)[C@@H]([NH3+])c1ccccc1 ZINC000130075521 138398960 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Cn1cc([C@H]2CC[N@H+](Cc3cccc(Cl)c3F)C2)cn1 ZINC000179808742 189221843 /nfs/dbraw/zinc/22/18/43/189221843.db2.gz QWQOZPFCMBYAMI-NSHDSACASA-N 1 0 293.773 3.202 10 0 CGAERO Cn1cc([C@@H]2CC[N@H+](Cc3cccc(Cl)c3F)C2)cn1 ZINC000179808727 189222149 /nfs/dbraw/zinc/22/21/49/189222149.db2.gz QWQOZPFCMBYAMI-LLVKDONJSA-N 1 0 293.773 3.202 10 0 CGAERO CC[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(Cl)s1 ZINC000180588765 189264037 /nfs/dbraw/zinc/26/40/37/189264037.db2.gz YZWRWYMERAUKEK-NXEZZACHSA-N 1 0 296.827 3.049 10 0 CGAERO CC1(C)CCC(C[N@@H+]2CCC[C@H](n3cncn3)C2)CC1 ZINC000119509570 370682948 /nfs/dbraw/zinc/68/29/48/370682948.db2.gz HGQYANTUBWGJOU-HNNXBMFYSA-N 1 0 276.428 3.131 10 0 CGAERO Cc1cc[nH+]c(NCCc2nc3cc(F)ccc3[nH]2)c1 ZINC000301743584 201172231 /nfs/dbraw/zinc/17/22/31/201172231.db2.gz ZIWXHESPZFAGRR-UHFFFAOYSA-N 1 0 270.311 3.060 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1nc2ccccc2n1C ZINC000246189963 299383255 /nfs/dbraw/zinc/38/32/55/299383255.db2.gz WXWVLNKZAFQBJS-SZOQZIPDSA-N 1 0 299.418 3.182 10 0 CGAERO C[C@@H]([NH2+]CC1(C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400400997 296117351 /nfs/dbraw/zinc/11/73/51/296117351.db2.gz KSLMWKLNTXILTO-OLZOCXBDSA-N 1 0 282.428 3.022 10 0 CGAERO C[C@H]([NH3+])c1cc(Br)ccc1Br ZINC000003705372 368517645 /nfs/dbraw/zinc/51/76/45/368517645.db2.gz VWIJODSEAQBYNY-YFKPBYRVSA-N 1 0 278.975 3.231 10 0 CGAERO Cc1cc(C)n(C[C@@H]([NH3+])c2ccc(C(C)C)cc2)n1 ZINC000011849753 368596997 /nfs/dbraw/zinc/59/69/97/368596997.db2.gz MSMFBLHNNBFKKR-MRXNPFEDSA-N 1 0 257.381 3.323 10 0 CGAERO CCOc1c(Cl)cc(C[NH2+]CCOC)cc1Cl ZINC000010475328 368583740 /nfs/dbraw/zinc/58/37/40/368583740.db2.gz TZZZEZVGWNYRAS-UHFFFAOYSA-N 1 0 278.179 3.128 10 0 CGAERO Cc1noc([C@@H]2[C@H]3CC[C@@H](C[C@@H]2c2ccccc2)[N@H+]3C)n1 ZINC000013816628 368667398 /nfs/dbraw/zinc/66/73/98/368667398.db2.gz QSHBOMWRGOGQOF-JJXSEGSLSA-N 1 0 283.375 3.112 10 0 in-vitro CGAERO C[NH2+][C@H]1CCc2ccc(O)cc2[C@@H]1c1ccccc1 ZINC000013675896 368661245 /nfs/dbraw/zinc/66/12/45/368661245.db2.gz ASZIYMJEJJHKDE-IRXDYDNUSA-N 1 0 253.345 3.058 10 0 CGAERO CCOc1ccc([C@@H](CN)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000022854012 368812876 /nfs/dbraw/zinc/81/28/76/368812876.db2.gz ZJYXNAAZHPSOBU-JKIFEVAISA-N 1 0 276.424 3.063 10 0 CGAERO COc1ccc2c(ccn2-c2cccc(C[NH3+])c2)c1 ZINC000027857842 368877328 /nfs/dbraw/zinc/87/73/28/368877328.db2.gz JERMSWHKKOSKMY-UHFFFAOYSA-N 1 0 252.317 3.098 10 0 CGAERO OC[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCC[NH2+]1 ZINC000028645525 368887968 /nfs/dbraw/zinc/88/79/68/368887968.db2.gz VBLILHAGVIRWHD-ZWNOBZJWSA-N 1 0 274.191 3.211 10 0 in-vivo CGAERO Cc1cccc(C2CC([NH2+]CCCn3ccnc3)C2)c1 ZINC000036845747 369033738 /nfs/dbraw/zinc/03/37/38/369033738.db2.gz MINZVILYMDANHQ-UHFFFAOYSA-N 1 0 269.392 3.117 10 0 CGAERO C[NH+](C)C[C@@H](NCc1ccc(Cl)o1)c1ccccc1 ZINC000037488894 369086693 /nfs/dbraw/zinc/08/66/93/369086693.db2.gz FGAKDMHWSFAHNF-CQSZACIVSA-N 1 0 278.783 3.326 10 0 CGAERO CCc1ccc([C@H](C)[NH2+]C[C@H](O)COC(C)(C)C)cc1 ZINC000037975402 369128329 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369582915 /nfs/dbraw/zinc/58/29/15/369582915.db2.gz YBDLUDGVKVVWHB-ZNMIVQPWSA-N 1 0 297.487 3.087 10 0 CGAERO C[C@H]1CN2CCCC[C@@H]2C[N@@H+]1CCCOc1ccccc1 ZINC000083704433 370009825 /nfs/dbraw/zinc/00/98/25/370009825.db2.gz KUBBGRMWNDGALM-DLBZAZTESA-N 1 0 288.435 3.014 10 0 CGAERO CCC[C@@H]1C[C@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000090176108 370054874 /nfs/dbraw/zinc/05/48/74/370054874.db2.gz SOXVZDCPDHHRQM-RHSMWYFYSA-N 1 0 258.409 3.434 10 0 CGAERO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H]1CCCCc2ccccc21 ZINC000090223239 370059677 /nfs/dbraw/zinc/05/96/77/370059677.db2.gz IWHBJPZFRKPGSE-IAGOWNOFSA-N 1 0 296.418 3.479 10 0 CGAERO Cc1nc(C[C@H]2CCC[N@H+](Cc3cccc(C)c3C)C2)no1 ZINC000092813958 370103023 /nfs/dbraw/zinc/10/30/23/370103023.db2.gz VUMPCNDLLGHNKR-MRXNPFEDSA-N 1 0 299.418 3.450 10 0 CGAERO CCc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)OC)[nH]2)cc1 ZINC000093084567 370107081 /nfs/dbraw/zinc/10/70/81/370107081.db2.gz QJOPSBGISGFYQT-LBPRGKRZSA-N 1 0 286.375 3.215 10 0 CGAERO Clc1ncc(COCCC[C@@H]2CCC[NH2+]C2)s1 ZINC000095070237 370169514 /nfs/dbraw/zinc/16/95/14/370169514.db2.gz SIQDGTSEEWAJEO-JTQLQIEISA-N 1 0 274.817 3.093 10 0 CGAERO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccco1 ZINC000095089241 370173662 /nfs/dbraw/zinc/17/36/62/370173662.db2.gz YNWPLVULIIGCRJ-STQMWFEESA-N 1 0 294.395 3.187 10 0 CGAERO C[C@H](c1ccc[nH]1)[N@@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000095089062 370174075 /nfs/dbraw/zinc/17/40/75/370174075.db2.gz YMCUEJUPGZNRFF-OLZOCXBDSA-N 1 0 293.411 3.065 10 0 CGAERO CCO[C@H]1C[C@H]([N@H+](C)Cc2cncs2)C12CCCC2 ZINC000093610979 370147642 /nfs/dbraw/zinc/14/76/42/370147642.db2.gz OGAGAJLIDXNYKO-KBPBESRZSA-N 1 0 280.437 3.313 10 0 CGAERO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cccn2C)C12CCCC2 ZINC000093611154 370149004 /nfs/dbraw/zinc/14/90/04/370149004.db2.gz QOEHXMFVHHDWHR-JKSUJKDBSA-N 1 0 276.424 3.195 10 0 CGAERO CC(C)c1csc(NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000101631900 370293509 /nfs/dbraw/zinc/29/35/09/370293509.db2.gz ZTITYXDNQZNYSJ-TUAOUCFPSA-N 1 0 295.452 3.466 10 0 CGAERO Cc1ccc(O)c(C[NH2+]Cc2ccc(F)c(Cl)c2)n1 ZINC000103344802 370324277 /nfs/dbraw/zinc/32/42/77/370324277.db2.gz VMAJFRFAYIVJMU-UHFFFAOYSA-N 1 0 280.730 3.178 10 0 CGAERO CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116320732 370557162 /nfs/dbraw/zinc/55/71/62/370557162.db2.gz LJULLSVCXHJDQT-RDJZCZTQSA-N 1 0 269.392 3.361 10 0 CGAERO C[C@H]1OCC[C@H]1[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000134238290 371314492 /nfs/dbraw/zinc/31/44/92/371314492.db2.gz JXNVOESRVHSIMK-QMTHXVAHSA-N 1 0 292.379 3.216 10 0 CGAERO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)c1cccc(Br)c1 ZINC000134399734 371332718 /nfs/dbraw/zinc/33/27/18/371332718.db2.gz JVLADULGBKJNJX-GIPNMCIBSA-N 1 0 284.197 3.277 10 0 CGAERO Fc1ccc(NC2CC[NH+](C/C=C/Cl)CC2)cc1 ZINC000135173937 371398596 /nfs/dbraw/zinc/39/85/96/371398596.db2.gz JSNZJPKPIQASLV-UNXLUWIOSA-N 1 0 268.763 3.455 10 0 CGAERO COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CCCCC[C@@H]2O)c1 ZINC000135627598 371440686 /nfs/dbraw/zinc/44/06/86/371440686.db2.gz HQXXWGBHNBPYPL-MAZHCROVSA-N 1 0 293.407 3.048 10 0 CGAERO COC(=O)c1coc(C[NH2+][C@@H](C)c2ccccc2C)c1 ZINC000135708551 371446634 /nfs/dbraw/zinc/44/66/34/371446634.db2.gz ZHYNUTRPGCCOLX-LBPRGKRZSA-N 1 0 273.332 3.225 10 0 CGAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)cc1Cl ZINC000136191641 371466035 /nfs/dbraw/zinc/46/60/35/371466035.db2.gz MKBIRAQJGLINTD-RISCZKNCSA-N 1 0 271.763 3.120 10 0 CGAERO CCC(CC)C[NH+]1CCC(Cc2nccn2C)CC1 ZINC000153926061 371800360 /nfs/dbraw/zinc/80/03/60/371800360.db2.gz GREMXWUWJMONFP-UHFFFAOYSA-N 1 0 263.429 3.111 10 0 CGAERO C[N@@H+]1CC[C@]2(CCN(c3noc4ccc(Cl)cc43)C2)C1 ZINC000292414756 372190192 /nfs/dbraw/zinc/19/01/92/372190192.db2.gz VYUSCMIHLARJCB-HNNXBMFYSA-N 1 0 291.782 3.013 10 0 CGAERO C[NH2+][C@H](c1ccc(Br)cn1)C(C)(C)C ZINC000163575364 372481299 /nfs/dbraw/zinc/48/12/99/372481299.db2.gz SSUYGPKDWOLRKC-SNVBAGLBSA-N 1 0 257.175 3.151 10 0 CGAERO CC[C@@H](C)[C@@H](C)[NH2+]C1CCN(c2ccc(C)cn2)CC1 ZINC000163455032 372471421 /nfs/dbraw/zinc/47/14/21/372471421.db2.gz ZVODWJPRRLQIQB-HUUCEWRRSA-N 1 0 275.440 3.383 10 0 CGAERO CC[C@@H](CCO)C[NH2+][C@H](Cc1ccccc1OC)C(C)C ZINC000166850078 372583479 /nfs/dbraw/zinc/58/34/79/372583479.db2.gz CESAAYYTJVHSSZ-DOTOQJQBSA-N 1 0 293.451 3.261 10 0 CGAERO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1cccs1)c1cccs1 ZINC000171111552 372713369 /nfs/dbraw/zinc/71/33/69/372713369.db2.gz MQAIEFUQTYKJQH-WDEREUQCSA-N 1 0 294.445 3.338 10 0 CGAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)Nc1csc2ccccc12 ZINC000333224715 205131130 /nfs/dbraw/zinc/13/11/30/205131130.db2.gz XEHUIEUWHAAPDJ-CMPLNLGQSA-N 1 0 289.404 3.163 10 0 CGAERO CC(C)N(C(=O)[C@@H](C)[NH2+][C@@H](C)c1cccs1)C(C)C ZINC000172604043 372993236 /nfs/dbraw/zinc/99/32/36/372993236.db2.gz NYMFXUYUBZGGSJ-QWHCGFSZSA-N 1 0 282.453 3.433 10 0 CGAERO CCO[C@H]1C[C@H]([N@H+](C)CCc2cccnc2)C12CCCC2 ZINC000172670056 373009584 /nfs/dbraw/zinc/00/95/84/373009584.db2.gz YNDOUTDJPBCGBU-IRXDYDNUSA-N 1 0 288.435 3.294 10 0 CGAERO C[C@@H](c1c(F)cccc1F)N1CCC[N@@H+](C2CC2)CC1 ZINC000172540705 372986496 /nfs/dbraw/zinc/98/64/96/372986496.db2.gz UHBTXFPVXZONST-LBPRGKRZSA-N 1 0 280.362 3.196 10 0 CGAERO c1nc(CN2CC[N@@H+]3CCCC[C@@H]3C2)oc1-c1ccccc1 ZINC000172803647 373038057 /nfs/dbraw/zinc/03/80/57/373038057.db2.gz ZBJNELVVPSANLU-MRXNPFEDSA-N 1 0 297.402 3.012 10 0 CGAERO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000174030203 373238001 /nfs/dbraw/zinc/23/80/01/373238001.db2.gz DDEDWIDMWOHWOX-GDBMZVCRSA-N 1 0 298.434 3.376 10 0 CGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc(OC(F)F)cc1 ZINC000175339672 373453603 /nfs/dbraw/zinc/45/36/03/373453603.db2.gz JLBOYWDKEOCGBG-CQSZACIVSA-N 1 0 298.377 3.204 10 0 CGAERO CCc1ccc([C@H]2CCCCN2C(=O)C[NH+](CC)CC)o1 ZINC000175661379 373500461 /nfs/dbraw/zinc/50/04/61/373500461.db2.gz JBVOOANNLMSSHM-OAHLLOKOSA-N 1 0 292.423 3.237 10 0 CGAERO C[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000300598970 373635874 /nfs/dbraw/zinc/63/58/74/373635874.db2.gz INJXYVCBQHYVII-WHOHXGKFSA-N 1 0 265.319 3.122 10 0 CGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(C)s1 ZINC000177025466 373649449 /nfs/dbraw/zinc/64/94/49/373649449.db2.gz QNNUOJFMAZGSKK-GFCCVEGCSA-N 1 0 281.425 3.005 10 0 CGAERO Cc1cc(N2CCC[C@H]2C[C@H](O)c2ccccc2)cc[nH+]1 ZINC000302558480 373895012 /nfs/dbraw/zinc/89/50/12/373895012.db2.gz KMUBCFJUHQOSRR-WMZOPIPTSA-N 1 0 282.387 3.483 10 0 CGAERO C[C@@H]([NH2+]C[C@@H]1CCN(C)c2ccccc21)c1nccs1 ZINC000180015671 373954450 /nfs/dbraw/zinc/95/44/50/373954450.db2.gz ZOCABDNQFSTQPK-OLZOCXBDSA-N 1 0 287.432 3.417 10 0 CGAERO COc1cc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)ccc1O ZINC000180088280 373963243 /nfs/dbraw/zinc/96/32/43/373963243.db2.gz DFYOSUWYCIEZKY-XJKSGUPXSA-N 1 0 293.432 3.261 10 0 CGAERO COc1cc(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)ccc1O ZINC000180083199 373963374 /nfs/dbraw/zinc/96/33/74/373963374.db2.gz VJXHKNFTUCLGGX-INIZCTEOSA-N 1 0 298.386 3.441 10 0 CGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](CC)C1CCCCC1)CC2 ZINC000180615779 374029197 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259.393 3.493 10 0 CGAERO [NH3+][C@@H](CF)c1cc(Br)cc(Br)c1 ZINC000238572231 393035955 /nfs/dbraw/zinc/03/59/55/393035955.db2.gz MLLKUTQKRKBUAZ-QMMMGPOBSA-N 1 0 296.965 3.181 10 0 CGAERO COc1c(C[N@@H+]2C[C@@H](c3ccccc3)C[C@H]2C)c(C)nn1C ZINC000245707552 393045251 /nfs/dbraw/zinc/04/52/51/393045251.db2.gz FJMRWBYPYPMOOD-CJNGLKHVSA-N 1 0 299.418 3.115 10 0 CGAERO CC(C)C[C@@H]([NH3+])CN1CCCC[C@H]1c1nccs1 ZINC000414701869 393052921 /nfs/dbraw/zinc/05/29/21/393052921.db2.gz WPBFBQKINBHXIH-OLZOCXBDSA-N 1 0 267.442 3.044 10 0 CGAERO CCC(C)(C)CC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000483499313 393442597 /nfs/dbraw/zinc/44/25/97/393442597.db2.gz FUVFINPLGKHFGY-GDBMZVCRSA-N 1 0 253.430 3.440 10 0 CGAERO CC[C@H]1C[NH2+]CCN1c1cc(Cl)ccc1Cl ZINC000083086644 135014166 /nfs/dbraw/zinc/01/41/66/135014166.db2.gz KLRCNQLKMIMNIT-JTQLQIEISA-N 1 0 259.180 3.182 10 0 CGAERO CC[C@@H]1CN(c2ccc(C)cc2F)[C@H](CC)C[NH2+]1 ZINC000083383609 135017686 /nfs/dbraw/zinc/01/76/86/135017686.db2.gz 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ZINC000020237398 171096354 /nfs/dbraw/zinc/09/63/54/171096354.db2.gz FWSXXGZGZDOWMQ-UHFFFAOYSA-N 1 0 264.756 3.288 10 0 CGAERO Cc1ccc([C@@H]([NH3+])Cn2ccnc2C(C)C)c(C)c1 ZINC000020261849 171118715 /nfs/dbraw/zinc/11/87/15/171118715.db2.gz ZTEVAPFPGVNGMX-HNNXBMFYSA-N 1 0 257.381 3.323 10 0 CGAERO Cc1nc(Cc2cccc(Cl)c2)sc1CC[NH3+] ZINC000020273824 171130995 /nfs/dbraw/zinc/13/09/95/171130995.db2.gz XMIZLZLNXNMTHG-UHFFFAOYSA-N 1 0 266.797 3.197 10 0 CGAERO C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc2cc[nH]c2c1 ZINC000020287220 171133612 /nfs/dbraw/zinc/13/36/12/171133612.db2.gz LOCKTIDVYAJQLY-SFHVURJKSA-N 1 0 280.371 3.333 10 0 CGAERO NC(=[NH2+])c1ccccc1Oc1ccc2c(c1)CCC2 ZINC000020297072 171136854 /nfs/dbraw/zinc/13/68/54/171136854.db2.gz XMKQUNGBYZQHEF-UHFFFAOYSA-N 1 0 252.317 3.252 10 0 CGAERO COc1ccc([C@H]([NH3+])C(C)C)cc1Br ZINC000020369239 171167048 /nfs/dbraw/zinc/16/70/48/171167048.db2.gz BHFOIRNHGNQBFQ-LLVKDONJSA-N 1 0 258.159 3.114 10 0 CGAERO CC[NH+](CC)CCCNc1ccc(N)cc1Cl ZINC000020383568 171173912 /nfs/dbraw/zinc/17/39/12/171173912.db2.gz SIVTTYIBWPNZIU-UHFFFAOYSA-N 1 0 255.793 3.066 10 0 CGAERO COc1ccc(F)cc1[C@@H]([NH3+])c1cccc(C)c1C ZINC000020470543 171212673 /nfs/dbraw/zinc/21/26/73/171212673.db2.gz IJVOWJNRHBIDLN-INIZCTEOSA-N 1 0 259.324 3.499 10 0 CGAERO Cc1ccc(N[C@@H]2C[NH+]3CCC2CC3)c(Cl)c1 ZINC000020470983 171213793 /nfs/dbraw/zinc/21/37/93/171213793.db2.gz YWFYCNUECRTWPZ-CQSZACIVSA-N 1 0 250.773 3.155 10 0 CGAERO CCCOc1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2[NH3+])cc1 ZINC000020473904 171218169 /nfs/dbraw/zinc/21/81/69/171218169.db2.gz CIFADEGRINOAJQ-RCBQFDQVSA-N 1 0 263.381 3.370 10 0 CGAERO COc1cccc([C@@H]([NH3+])c2ccc(OC)c(Cl)c2)c1 ZINC000020521848 171234957 /nfs/dbraw/zinc/23/49/57/171234957.db2.gz QWBMDRCBGZKSHC-OAHLLOKOSA-N 1 0 277.751 3.405 10 0 CGAERO CC(C)[NH2+]CCCOc1ccc(Br)cc1F ZINC000020525462 171238139 /nfs/dbraw/zinc/23/81/39/171238139.db2.gz ASTJALTUOBSBNR-UHFFFAOYSA-N 1 0 290.176 3.355 10 0 CGAERO C[C@@H]1C[C@H]([NH2+]CCCOC[C@@H]2CCCO2)CC(C)(C)C1 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[NH3+]Cc1ccccc1Oc1ccc(C(F)(F)F)cn1 ZINC000021969480 171344466 /nfs/dbraw/zinc/34/44/66/171344466.db2.gz RLEWMBNUZGUKRA-UHFFFAOYSA-N 1 0 268.238 3.351 10 0 CGAERO COc1ccc(C[NH2+]C(C)(C)C)cc1OC(F)F ZINC000022146021 171356655 /nfs/dbraw/zinc/35/66/55/171356655.db2.gz KDRQKWZLNJHQHJ-UHFFFAOYSA-N 1 0 259.296 3.185 10 0 CGAERO CCC[NH+](CCC)[C@@H](C)C(=O)Nc1ccc(Cl)cc1N ZINC000022151854 171359091 /nfs/dbraw/zinc/35/90/91/171359091.db2.gz SXNGEVNRNYJZMC-NSHDSACASA-N 1 0 297.830 3.371 10 0 CGAERO Cc1ccc(N)cc1NC(=O)CCC[NH+]1CCC(C)CC1 ZINC000022154892 171361783 /nfs/dbraw/zinc/36/17/83/171361783.db2.gz VXRLZCJPQMXLEX-UHFFFAOYSA-N 1 0 289.423 3.028 10 0 CGAERO [NH3+]Cc1ccnc(Oc2ccccc2C(F)(F)F)c1 ZINC000022162921 171364777 /nfs/dbraw/zinc/36/47/77/171364777.db2.gz AJQSGEUUHKBUSX-UHFFFAOYSA-N 1 0 268.238 3.351 10 0 CGAERO CC[N@H+]([C@H](CN)c1ccc(C)o1)C1CCCCC1 ZINC000022164781 171365126 /nfs/dbraw/zinc/36/51/26/171365126.db2.gz XBQGQMACQLKGAL-CQSZACIVSA-N 1 0 250.386 3.242 10 0 CGAERO Cc1ccc(C(=O)Nc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000022172417 171368896 /nfs/dbraw/zinc/36/88/96/171368896.db2.gz GPCBUINOMNDWHW-LBPRGKRZSA-N 1 0 254.333 3.267 10 0 CGAERO C[C@H]([NH3+])c1cccc(NC(=O)Nc2ccccc2)c1 ZINC000022212388 171374133 /nfs/dbraw/zinc/37/41/33/171374133.db2.gz ICXIZJKJVWRVNZ-NSHDSACASA-N 1 0 255.321 3.350 10 0 CGAERO C[N@H+](CC(=O)Nc1cc(Cl)ccc1N)C1CCCCC1 ZINC000022219497 171377382 /nfs/dbraw/zinc/37/73/82/171377382.db2.gz HZRKNUAZWCTPLC-UHFFFAOYSA-N 1 0 295.814 3.125 10 0 CGAERO C[C@@H](Oc1ccc(F)cc1F)[C@H]([NH3+])c1ccccc1 ZINC000022564462 171391615 /nfs/dbraw/zinc/39/16/15/171391615.db2.gz OWYMACMJEXBHHO-BMIGLBTASA-N 1 0 263.287 3.432 10 0 CGAERO [NH3+][C@H](Cc1ccccc1)[C@H](c1ccccc1)n1ccnc1 ZINC000022565207 171391759 /nfs/dbraw/zinc/39/17/59/171391759.db2.gz FNZASKVUDGTAEV-MSOLQXFVSA-N 1 0 277.371 3.043 10 0 CGAERO COc1ccc([C@@H](C[NH3+])Oc2ccc(F)c(F)c2)cc1 ZINC000032125788 171713271 /nfs/dbraw/zinc/71/32/71/171713271.db2.gz SOJUUKSFYJDEBL-OAHLLOKOSA-N 1 0 279.286 3.052 10 0 CGAERO O=C(C[NH2+][C@@H]1CCCc2ccccc21)Nc1ccccc1 ZINC000035179170 172032863 /nfs/dbraw/zinc/03/28/63/172032863.db2.gz ANSOUWATZZVIIJ-QGZVFWFLSA-N 1 0 280.371 3.292 10 0 CGAERO O=C(Nc1ccc(C(F)(F)F)cc1Cl)[C@@H]1CCC[NH2+]1 ZINC000035222691 172066272 /nfs/dbraw/zinc/06/62/72/172066272.db2.gz GRLDHGZXUYRRFD-JTQLQIEISA-N 1 0 292.688 3.049 10 0 CGAERO CCN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1C ZINC000035223066 172067675 /nfs/dbraw/zinc/06/76/75/172067675.db2.gz TYYQPLRWNYFISO-HUUCEWRRSA-N 1 0 276.424 3.211 10 0 CGAERO C[C@@H]1CSC(NC23CC4CC(CC(C4)C2)C3)=[NH+]1 ZINC000035294402 172105632 /nfs/dbraw/zinc/10/56/32/172105632.db2.gz LXZRGXIQKMSPGQ-GVDDXCRBSA-N 1 0 250.411 3.036 10 0 CGAERO CC[NH2+][C@@H](C)c1c(F)cccc1SCCOC ZINC000035322036 172125144 /nfs/dbraw/zinc/12/51/44/172125144.db2.gz PJMDMSHHMUYNFO-JTQLQIEISA-N 1 0 257.374 3.235 10 0 CGAERO COc1ccc(F)cc1[C@@H]([NH3+])c1ccc(C)s1 ZINC000035381483 172164844 /nfs/dbraw/zinc/16/48/44/172164844.db2.gz DSAKWOYTDCTTDT-CYBMUJFWSA-N 1 0 251.326 3.252 10 0 CGAERO CCCOc1ccc(C[NH2+]C)c(OCC(C)C)c1 ZINC000035414080 172187510 /nfs/dbraw/zinc/18/75/10/172187510.db2.gz PWFMQBAXBNCUMQ-UHFFFAOYSA-N 1 0 251.370 3.230 10 0 CGAERO C[NH2+][C@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000035463542 172211795 /nfs/dbraw/zinc/21/17/95/172211795.db2.gz HQGITXGGIMAJLI-LBPRGKRZSA-N 1 0 284.128 3.490 10 0 CGAERO C[NH2+][C@@H](c1ccc(F)cc1)c1cc(F)cc(F)c1 ZINC000035463756 172211845 /nfs/dbraw/zinc/21/18/45/172211845.db2.gz ZXTGOQVRYCBPIG-AWEZNQCLSA-N 1 0 251.251 3.413 10 0 CGAERO C[NH2+][C@H](c1ccccc1)c1cncc(Br)c1 ZINC000035464956 172212266 /nfs/dbraw/zinc/21/22/66/172212266.db2.gz OAIVBZXFFQRVAH-CYBMUJFWSA-N 1 0 277.165 3.153 10 0 CGAERO C[NH2+][C@H](c1cccs1)c1cc(OC)cc(OC)c1 ZINC000035488174 172223282 /nfs/dbraw/zinc/22/32/82/172223282.db2.gz XKKGEFLWLMQVLO-AWEZNQCLSA-N 1 0 263.362 3.074 10 0 CGAERO C[NH2+][C@@H](c1ccsc1)c1cc(F)ccc1OC ZINC000035498959 172231885 /nfs/dbraw/zinc/23/18/85/172231885.db2.gz HAULDXWZJPHQSW-ZDUSSCGKSA-N 1 0 251.326 3.205 10 0 CGAERO CC[C@H]([NH2+]C)c1cc2c(cc1Cl)OCCCO2 ZINC000035501128 172235004 /nfs/dbraw/zinc/23/50/04/172235004.db2.gz NRNIXCIXIKGXLD-NSHDSACASA-N 1 0 255.745 3.172 10 0 CGAERO CC[NH2+][C@@H](c1ccc(OC)cc1OC)[C@@H](C)CC ZINC000035546079 172254224 /nfs/dbraw/zinc/25/42/24/172254224.db2.gz MHMAKUZSNMRIBR-XHDPSFHLSA-N 1 0 251.370 3.401 10 0 CGAERO CC[NH2+][C@@H](CC)c1cc(OC)c(OC)cc1Cl ZINC000035557520 172262417 /nfs/dbraw/zinc/26/24/17/172262417.db2.gz WPSQEIOZDVIARH-NSHDSACASA-N 1 0 257.761 3.418 10 0 CGAERO CC[NH2+][C@@H](c1cc2c(cc1Cl)OCCO2)[C@@H]1C[C@@H]1C ZINC000035557841 172263116 /nfs/dbraw/zinc/26/31/16/172263116.db2.gz VOFJMVCLPSJEIH-FEUHOPSXSA-N 1 0 281.783 3.418 10 0 CGAERO CC[NH2+][C@H](Cc1ncc[nH]1)c1ccccc1Br ZINC000035570438 172266122 /nfs/dbraw/zinc/26/61/22/172266122.db2.gz NRJAUFHSZAFMFE-GFCCVEGCSA-N 1 0 294.196 3.066 10 0 CGAERO CCC[NH2+][C@@H](Cc1ccccc1C)c1cnn(C)c1 ZINC000035584216 172283247 /nfs/dbraw/zinc/28/32/47/172283247.db2.gz BJSOPWYTLXCFJC-INIZCTEOSA-N 1 0 257.381 3.012 10 0 CGAERO CCC[NH2+][C@H](C)c1ccccc1NC(=O)OCC ZINC000035645928 172322747 /nfs/dbraw/zinc/32/27/47/172322747.db2.gz GHSUWGGGPBIJRX-LLVKDONJSA-N 1 0 250.342 3.316 10 0 CGAERO Cc1cc(Br)c2c(c1)[C@H]([NH2+]C1CC1)CCO2 ZINC000035653802 172330780 /nfs/dbraw/zinc/33/07/80/172330780.db2.gz SOPTWDWWRGTIGW-GFCCVEGCSA-N 1 0 282.181 3.333 10 0 CGAERO CC(C)[NH2+][C@@H]1CCOc2c(Br)cc(F)cc21 ZINC000035655164 172331313 /nfs/dbraw/zinc/33/13/13/172331313.db2.gz OFKKTCVMNHRMKP-LLVKDONJSA-N 1 0 288.160 3.410 10 0 CGAERO NC(=[NH2+])c1ccccc1Sc1cc(F)ccc1F ZINC000035676308 172346809 /nfs/dbraw/zinc/34/68/09/172346809.db2.gz AIMGEPYSHXQZEU-UHFFFAOYSA-N 1 0 264.300 3.400 10 0 CGAERO Cc1ccccc1[C@@H](C[NH3+])N(C)Cc1cccs1 ZINC000035716995 172370805 /nfs/dbraw/zinc/37/08/05/172370805.db2.gz MHPMKMGKDGTDBX-OAHLLOKOSA-N 1 0 260.406 3.188 10 0 CGAERO Cc1ccc([C@@H](C[NH3+])N(C)Cc2ccsc2)cc1 ZINC000035718839 172372681 /nfs/dbraw/zinc/37/26/81/172372681.db2.gz KZDVGORNXFLCEO-OAHLLOKOSA-N 1 0 260.406 3.188 10 0 CGAERO C[N@H+](Cc1ccsc1)Cc1cccc(C(N)=S)c1 ZINC000035719235 172373059 /nfs/dbraw/zinc/37/30/59/172373059.db2.gz ZJJFDWKJJVVYBK-UHFFFAOYSA-N 1 0 276.430 3.014 10 0 CGAERO Cc1cc(OCCC[NH2+]C2CC2)cc(C)c1Cl ZINC000036683394 172654121 /nfs/dbraw/zinc/65/41/21/172654121.db2.gz JXFIGQXOOPYMOX-UHFFFAOYSA-N 1 0 253.773 3.478 10 0 CGAERO NC(=[NH2+])c1ccc(Oc2cccc3cccnc32)c(F)c1 ZINC000036888097 172782695 /nfs/dbraw/zinc/78/26/95/172782695.db2.gz OGWAVAIXDZYQAA-UHFFFAOYSA-N 1 0 281.290 3.450 10 0 CGAERO [NH3+]CC[C@H](N1CCC[C@@H]1c1ccccc1)C(F)(F)F ZINC000037178742 173012313 /nfs/dbraw/zinc/01/23/13/173012313.db2.gz XRUQKYJCSGWPFH-OLZOCXBDSA-N 1 0 272.314 3.103 10 0 CGAERO Cc1ccc([C@@H](C[NH3+])N(C)Cc2ccsc2)cc1C ZINC000037180111 173012857 /nfs/dbraw/zinc/01/28/57/173012857.db2.gz NCTUUBBUNLEYDL-MRXNPFEDSA-N 1 0 274.433 3.497 10 0 CGAERO CC[NH2+]Cc1cc(F)ccc1N(C)C1CCCC1 ZINC000037236624 173054579 /nfs/dbraw/zinc/05/45/79/173054579.db2.gz FZVUFSWSBQWMPG-UHFFFAOYSA-N 1 0 250.361 3.314 10 0 CGAERO CCCC[N@H+](CC)Cc1ccc(N)c2cccnc12 ZINC000037272845 173084039 /nfs/dbraw/zinc/08/40/39/173084039.db2.gz KBMKHAVFYRDAJV-UHFFFAOYSA-N 1 0 257.381 3.439 10 0 CGAERO CCOc1ccc(C(=O)C[N@H+](C)C2CCCC2)cc1 ZINC000037415014 173191937 /nfs/dbraw/zinc/19/19/37/173191937.db2.gz QTWLXTCMGFUAIX-UHFFFAOYSA-N 1 0 261.365 3.142 10 0 CGAERO CCCCCC[C@@H](C)[NH2+][C@H](C)C(=O)N1CCCCC1 ZINC000037495422 173234886 /nfs/dbraw/zinc/23/48/86/173234886.db2.gz JASGEBXPMVAYIR-HUUCEWRRSA-N 1 0 268.445 3.336 10 0 CGAERO Cc1ncc(C[NH2+][C@@H]2CCOc3ccccc32)s1 ZINC000037505396 173240443 /nfs/dbraw/zinc/24/04/43/173240443.db2.gz GENNSYNDVLCANB-CYBMUJFWSA-N 1 0 260.362 3.065 10 0 CGAERO [NH3+]CCc1ccccc1OCc1cccc(F)c1F ZINC000037720609 173638759 /nfs/dbraw/zinc/63/87/59/173638759.db2.gz VJIPSQMBEVJJIA-UHFFFAOYSA-N 1 0 263.287 3.045 10 0 CGAERO C[C@@H]([NH3+])Cc1ccccc1OCc1ccccc1F ZINC000037724301 173642905 /nfs/dbraw/zinc/64/29/05/173642905.db2.gz QVFKMFPGEZZHPV-GFCCVEGCSA-N 1 0 259.324 3.294 10 0 CGAERO O[C@H](C[NH2+]C12CC3CC(CC(C3)C1)C2)c1cccs1 ZINC000037862267 173811972 /nfs/dbraw/zinc/81/19/72/173811972.db2.gz IXUIODHZMVGFGS-MHCOZEDOSA-N 1 0 277.433 3.340 10 0 CGAERO C[C@H](CNc1ncccc1Cl)[NH+]1CCCCC1 ZINC000038029321 174019616 /nfs/dbraw/zinc/01/96/16/174019616.db2.gz FYQBLQZOJHVLTJ-LLVKDONJSA-N 1 0 253.777 3.021 10 0 CGAERO CC(C)[NH2+]Cc1ccc(-n2cc(Cl)cn2)c(F)c1 ZINC000038053855 174065270 /nfs/dbraw/zinc/06/52/70/174065270.db2.gz SYCBUEKINHMQFX-UHFFFAOYSA-N 1 0 267.735 3.163 10 0 CGAERO C[C@@H](c1cc(F)c(Cl)cc1Cl)N1CCC[NH2+]CC1 ZINC000038087074 174098543 /nfs/dbraw/zinc/09/85/43/174098543.db2.gz FSGGMOSVQKCIDP-VIFPVBQESA-N 1 0 291.197 3.489 10 0 CGAERO CC(C)CCC[NH2+]CC(=O)Nc1ccccc1Cl ZINC000038093982 174107751 /nfs/dbraw/zinc/10/77/51/174107751.db2.gz WJYLLNBQJGBXFR-UHFFFAOYSA-N 1 0 268.788 3.304 10 0 CGAERO C[C@H]([NH2+]CC[C@@H]1CCCO1)c1ccc2c(c1)CCC2 ZINC000038095936 174109696 /nfs/dbraw/zinc/10/96/96/174109696.db2.gz HZVMYQIZCICQAV-GUYCJALGSA-N 1 0 259.393 3.395 10 0 CGAERO CC[NH2+][C@H](CCOCC)Cc1ccccc1Cl ZINC000038130660 174131868 /nfs/dbraw/zinc/13/18/68/174131868.db2.gz YTNXTKFUBIWPDF-CYBMUJFWSA-N 1 0 255.789 3.287 10 0 CGAERO [NH3+]C[C@H](c1ccc(Br)cc1)N1CCCCCC1 ZINC000038808928 174156084 /nfs/dbraw/zinc/15/60/84/174156084.db2.gz SDBCLAOTWVRMLB-CQSZACIVSA-N 1 0 297.240 3.325 10 0 CGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000127442943 287288321 /nfs/dbraw/zinc/28/83/21/287288321.db2.gz PIWYGSPHKVYHFE-HQJQHLMTSA-N 1 0 258.134 3.086 10 0 CGAERO CC[NH+](CC)CCn1c(C)nc2ccc(Cl)cc21 ZINC000040405504 174254111 /nfs/dbraw/zinc/25/41/11/174254111.db2.gz MBZHOQAIJKOCIQ-UHFFFAOYSA-N 1 0 265.788 3.340 10 0 CGAERO [NH3+]CCCc1nc2cc(Cl)ccc2n1Cc1ccco1 ZINC000040410169 174254718 /nfs/dbraw/zinc/25/47/18/174254718.db2.gz DLLJXQTVYFDBTC-UHFFFAOYSA-N 1 0 289.766 3.222 10 0 CGAERO CC(C)Cn1c2cc(Cl)ccc2nc1CCC[NH3+] ZINC000040417754 174256604 /nfs/dbraw/zinc/25/66/04/174256604.db2.gz CLPALVNTAPQIBQ-UHFFFAOYSA-N 1 0 265.788 3.237 10 0 CGAERO COc1ccc(-c2nc(C[NH2+]C3CC3)cs2)cc1OC ZINC000040419327 174256765 /nfs/dbraw/zinc/25/67/65/174256765.db2.gz ANNYGXBGGXBPDG-UHFFFAOYSA-N 1 0 290.388 3.079 10 0 CGAERO CCN(CCC(N)=[NH2+])Cc1ccc(Cl)c(Cl)c1 ZINC000042452711 174745474 /nfs/dbraw/zinc/74/54/74/174745474.db2.gz UQDHZVJPFPATCT-UHFFFAOYSA-N 1 0 274.195 3.141 10 0 CGAERO C[C@H](N(C)C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)C(C)(C)C ZINC000042781585 174877396 /nfs/dbraw/zinc/87/73/96/174877396.db2.gz HABICFIQFSTOAT-AJNGGQMLSA-N 1 0 252.446 3.274 10 0 CGAERO CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+][C@H]1CCCn2nc(C)nc21 ZINC000246507988 287295696 /nfs/dbraw/zinc/29/56/96/287295696.db2.gz TWJYSUZQANQDTM-NGFQHRJXSA-N 1 0 276.428 3.226 10 0 CGAERO CC[C@H]([NH3+])[C@@H](Sc1cnn(C)c1)c1ccc(F)cc1 ZINC000042944177 174919409 /nfs/dbraw/zinc/91/94/09/174919409.db2.gz OZGOFUQKOPOLBK-KBPBESRZSA-N 1 0 279.384 3.130 10 0 CGAERO CCCCOCCO[C@@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042973989 174936990 /nfs/dbraw/zinc/93/69/90/174936990.db2.gz CFTNQTTTXLIYKR-IUODEOHRSA-N 1 0 269.360 3.047 10 0 CGAERO C[C@H]1CCC[C@@H](O[C@@H](C[NH3+])c2cccc(F)c2)C1 ZINC000042974058 174937719 /nfs/dbraw/zinc/93/77/19/174937719.db2.gz SRPMVZHSLWKXPZ-GLQYFDAESA-N 1 0 251.345 3.421 10 0 CGAERO CC[C@@H]([NH3+])[C@H](OCC(F)(F)F)c1cccc(OC)c1 ZINC000043029123 174948133 /nfs/dbraw/zinc/94/81/33/174948133.db2.gz WYNLEFRRIGGHMM-VXGBXAGGSA-N 1 0 277.286 3.053 10 0 CGAERO CC[C@H]([NH3+])[C@H](OCC(C)C)c1cccc(OC)c1 ZINC000043029912 174948225 /nfs/dbraw/zinc/94/82/25/174948225.db2.gz OSVVFTKQMPBJFD-LSDHHAIUSA-N 1 0 251.370 3.146 10 0 CGAERO CCCCCN(C)[C@@H](c1ccccc1F)[C@@H](C)[NH3+] ZINC000043043174 174955151 /nfs/dbraw/zinc/95/51/51/174955151.db2.gz UHEOGZBZHLULNO-IUODEOHRSA-N 1 0 252.377 3.336 10 0 CGAERO COc1ccccc1[C@H](OCCC(C)C)[C@@H](C)[NH3+] ZINC000043099417 174967122 /nfs/dbraw/zinc/96/71/22/174967122.db2.gz VRFKDZGUNHPQCO-IUODEOHRSA-N 1 0 251.370 3.146 10 0 CGAERO C[C@H]([NH3+])[C@H](Oc1ccc(F)c(F)c1)c1cccs1 ZINC000043111586 174974579 /nfs/dbraw/zinc/97/45/79/174974579.db2.gz QIYJTQHVJXYLJZ-SDBXPKJASA-N 1 0 269.316 3.494 10 0 CGAERO Cc1ccc([C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1C ZINC000043501813 175058416 /nfs/dbraw/zinc/05/84/16/175058416.db2.gz OOIODYCXXWODDS-SFHVURJKSA-N 1 0 269.388 3.469 10 0 CGAERO Cc1ccnc(NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC000043561588 175066305 /nfs/dbraw/zinc/06/63/05/175066305.db2.gz UZIBPNKGUZAJFO-ZBFHGGJFSA-N 1 0 261.413 3.312 10 0 CGAERO CCOc1ccc([C@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000044113729 175141054 /nfs/dbraw/zinc/14/10/54/175141054.db2.gz HIRILQCZMQBQQV-JKIFEVAISA-N 1 0 277.408 3.097 10 0 CGAERO CC[C@H](C)[NH2+]Cc1nn(C(C)C)nc1-c1ccccc1 ZINC000045944896 175387278 /nfs/dbraw/zinc/38/72/78/175387278.db2.gz QDZWZXLYOMUCCW-ZDUSSCGKSA-N 1 0 272.396 3.414 10 0 CGAERO CC(C)[C@H]([NH3+])CCc1cc(Br)cs1 ZINC000049864602 175501709 /nfs/dbraw/zinc/50/17/09/175501709.db2.gz JJNACYJIEYMWDW-SNVBAGLBSA-N 1 0 262.216 3.427 10 0 CGAERO CCCCCOC[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052645605 175536344 /nfs/dbraw/zinc/53/63/44/175536344.db2.gz AGVAUWCOWNYMME-KBPBESRZSA-N 1 0 257.418 3.129 10 0 CGAERO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC1CCCCCCC1 ZINC000055125437 175571185 /nfs/dbraw/zinc/57/11/85/175571185.db2.gz ZJCBIBJGURLUKG-DZGCQCFKSA-N 1 0 266.429 3.123 10 0 CGAERO Cc1ccc(C[NH2+]CCc2nc3ccccc3[nH]2)s1 ZINC000057353429 175594397 /nfs/dbraw/zinc/59/43/97/175594397.db2.gz WJDLZDPOGOAHDW-UHFFFAOYSA-N 1 0 271.389 3.265 10 0 CGAERO C[C@@H]1CCC[C@H]1n1c(N)[nH+]c2ccc(F)c(F)c21 ZINC000071208715 176081244 /nfs/dbraw/zinc/08/12/44/176081244.db2.gz HHCFHZIVUPIFFT-GMSGAONNSA-N 1 0 251.280 3.258 10 0 CGAERO CCOC(=O)CCCCC[NH2+][C@@H](C)c1ccc(C)o1 ZINC000071293670 176111468 /nfs/dbraw/zinc/11/14/68/176111468.db2.gz KYJAFZPWBFPQFR-ZDUSSCGKSA-N 1 0 267.369 3.362 10 0 CGAERO CCN([C@@H](C)c1ccccc1Br)[C@H]1CC[NH2+]C1 ZINC000071311970 176118956 /nfs/dbraw/zinc/11/89/56/176118956.db2.gz BRMILGDAWQUMTM-RYUDHWBXSA-N 1 0 297.240 3.194 10 0 CGAERO 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CRWVOUZTXGDXGC-LZWOXQAQSA-N 1 0 291.439 3.023 10 0 CGAERO C[C@H](O)CCC[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000227570303 270087231 /nfs/dbraw/zinc/08/72/31/270087231.db2.gz AMTZNHYTUNTUQY-XJKSGUPXSA-N 1 0 261.409 3.451 10 0 CGAERO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000229556016 270088619 /nfs/dbraw/zinc/08/86/19/270088619.db2.gz DBJOXMNANDKNKU-IJLUTSLNSA-N 1 0 267.335 3.248 10 0 CGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(Br)o1 ZINC000233307207 287647232 /nfs/dbraw/zinc/64/72/32/287647232.db2.gz XYKKUHRGVDMSPY-PSASIEDQSA-N 1 0 258.159 3.320 10 0 CGAERO COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)C(C)(C)C)CCC2 ZINC000268926773 274132409 /nfs/dbraw/zinc/13/24/09/274132409.db2.gz XZUZGSRGYPNZFR-HOTGVXAUSA-N 1 0 277.408 3.069 10 0 CGAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1[C@H]3CCO[C@H]3C1(C)C)CC2 ZINC000248071164 274138444 /nfs/dbraw/zinc/13/84/44/274138444.db2.gz MOCUXFPLWRLXPE-MWQQHZPXSA-N 1 0 287.403 3.086 10 0 CGAERO CC1(C)[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)[C@H]2CCO[C@H]21 ZINC000246864052 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C[S@](=O)C1(C[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)CCC1 ZINC000393703672 288000448 /nfs/dbraw/zinc/00/04/48/288000448.db2.gz URTTXAAIQGDJSI-KSMMKXTCSA-N 1 0 285.497 3.482 10 0 CGAERO C[C@H](N[C@H]1CCC[NH2+][C@@H]1C)c1ccccc1Br ZINC000396599923 288014377 /nfs/dbraw/zinc/01/43/77/288014377.db2.gz ASSLXIMAZRVAOC-WDMOLILDSA-N 1 0 297.240 3.240 10 0 CGAERO C[C@H](N[C@H]1CCC[NH2+][C@@H]1C)c1ccc(Br)cc1 ZINC000396621248 288014705 /nfs/dbraw/zinc/01/47/05/288014705.db2.gz IUAPBOZMMNQSCW-WDMOLILDSA-N 1 0 297.240 3.240 10 0 CGAERO Cc1cc([C@H](C)N[C@H]2CCC[NH2+][C@@H]2C)c(C)s1 ZINC000396666853 288015085 /nfs/dbraw/zinc/01/50/85/288015085.db2.gz PDJHXAPMSARHFX-WDMOLILDSA-N 1 0 252.427 3.156 10 0 CGAERO CC/C=C\C[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400441908 278166021 /nfs/dbraw/zinc/16/60/21/278166021.db2.gz MTUSDFNLOUILKN-BYTACQFHSA-N 1 0 282.428 3.188 10 0 CGAERO C[C@H](N[C@H]1CCC[NH2+][C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000396574190 288014071 /nfs/dbraw/zinc/01/40/71/288014071.db2.gz MGXAJXAOWQAGDV-MJVIPROJSA-N 1 0 286.341 3.497 10 0 CGAERO C[C@H]([NH2+][C@H](CN(C)C)c1ccccc1)[C@H]1CC1(C)C ZINC000397781025 288030490 /nfs/dbraw/zinc/03/04/90/288030490.db2.gz OKTHQWWLRUDERX-NUEKZKHPSA-N 1 0 260.425 3.314 10 0 CGAERO CC(C)(C)OC(=O)N1CCCC[C@H]1[C@H]1CCCC[C@@H]1[NH3+] ZINC000093492723 278388412 /nfs/dbraw/zinc/38/84/12/278388412.db2.gz JZPMFGVTNULNBY-IHRRRGAJSA-N 1 0 282.428 3.294 10 0 CGAERO O[C@@H]1CC[C@H]2C[N@H+](CCCCc3ccccc3)C[C@@H]2C1 ZINC000399006503 288049026 /nfs/dbraw/zinc/04/90/26/288049026.db2.gz OYIKXRYMFPQGFS-OKZBNKHCSA-N 1 0 273.420 3.102 10 0 CGAERO CCC(CC)(C[NH3+])C(=O)NCC[C@@H]1CCC[C@@H](C)C1 ZINC000070538780 278585464 /nfs/dbraw/zinc/58/54/64/278585464.db2.gz YHAAOFRQDZXVME-KGLIPLIRSA-N 1 0 268.445 3.084 10 0 CGAERO CC[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1ccc(OC)cc1 ZINC000252842329 288066304 /nfs/dbraw/zinc/06/63/04/288066304.db2.gz AWKGWXGQWATMQI-GVDBMIGSSA-N 1 0 277.408 3.430 10 0 CGAERO CC(C)C[C@H](C)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000306007792 279095726 /nfs/dbraw/zinc/09/57/26/279095726.db2.gz WIIRRDCHIKHHTR-XHSDSOJGSA-N 1 0 253.430 3.296 10 0 CGAERO C[C@H]([NH2+][C@H]1CCOc2ccccc21)c1cccnc1 ZINC000020127888 279546156 /nfs/dbraw/zinc/54/61/56/279546156.db2.gz GVYZGMFLQBFIEN-WFASDCNBSA-N 1 0 254.333 3.256 10 0 CGAERO CC[C@@H]([NH2+]CCn1cc(C)cn1)c1cc(C)ccc1OC ZINC000179452704 280188253 /nfs/dbraw/zinc/18/82/53/280188253.db2.gz YMOLDCKWPTZQNR-MRXNPFEDSA-N 1 0 287.407 3.249 10 0 CGAERO OC1CCC2(CC1)CC[NH+](C[C@H]1CCCC1(F)F)CC2 ZINC000336268880 280403101 /nfs/dbraw/zinc/40/31/01/280403101.db2.gz TYWFCBGGAQGOGV-CYBMUJFWSA-N 1 0 287.394 3.439 10 0 CGAERO CC1(C)CN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC[C@@H]1[NH3+] ZINC000261733506 281198515 /nfs/dbraw/zinc/19/85/15/281198515.db2.gz RLJBBTMAHRVOPN-JJXSEGSLSA-N 1 0 292.467 3.179 10 0 CGAERO CC[n+]1ccc(-c2nc3cc(C)c(C)cc3o2)cc1 ZINC000226775012 281360514 /nfs/dbraw/zinc/36/05/14/281360514.db2.gz ZLWKGZUNYFYGGN-UHFFFAOYSA-N 1 0 253.325 3.419 10 0 CGAERO C[C@@H]1C[C@H](C(=O)N2CCC[C@H]([NH+](C)C)C2)CC(C)(C)C1 ZINC000183609712 288614367 /nfs/dbraw/zinc/61/43/67/288614367.db2.gz RUKDQKGQQLXLTL-ILXRZTDVSA-N 1 0 280.456 3.001 10 0 CGAERO C[N@@H+]1CC[C@@H](NC(=O)C2CCCCC2)[C@H]1c1ccccc1 ZINC000248074612 290132751 /nfs/dbraw/zinc/13/27/51/290132751.db2.gz QVGFJNRNKUBGMA-IAGOWNOFSA-N 1 0 286.419 3.128 10 0 CGAERO COc1ccccc1C[C@@H]([NH2+]CC(C)(C)CCO)C(C)C ZINC000178167244 295363784 /nfs/dbraw/zinc/36/37/84/295363784.db2.gz BXZUQOLZGLUBIS-MRXNPFEDSA-N 1 0 293.451 3.261 10 0 CGAERO FC(F)(F)[C@H]1CC[N@@H+](C2CCC2)CC12CCOCC2 ZINC000334636745 303117608 /nfs/dbraw/zinc/11/76/08/303117608.db2.gz FQIWZCLSRISQEH-LBPRGKRZSA-N 1 0 277.330 3.220 10 0 CGAERO CCC[C@H](C(=O)Nc1cc(C(C)(C)C)ccc1O)[NH+](C)C ZINC000159316006 321832304 /nfs/dbraw/zinc/83/23/04/321832304.db2.gz LRDIPOCBXOWTJG-CQSZACIVSA-N 1 0 292.423 3.359 10 0 CGAERO C[NH2+][C@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1C ZINC000574650544 322450974 /nfs/dbraw/zinc/45/09/74/322450974.db2.gz CTOVVPNSSUVHID-CQSZACIVSA-N 1 0 298.386 3.120 10 0 CGAERO Brc1ccccc1[C@H]1C[NH2+]CC12CCC2 ZINC000536950401 330382256 /nfs/dbraw/zinc/38/22/56/330382256.db2.gz HLGAEECBBFWVDR-LLVKDONJSA-N 1 0 266.182 3.306 10 0 CGAERO CCc1nnc(C[NH2+][C@H](CCC(C)C)C(C)(C)C)n1C ZINC000179900927 335530389 /nfs/dbraw/zinc/53/03/89/335530389.db2.gz KSBRLUVPUSGDAA-CYBMUJFWSA-N 1 0 280.460 3.318 10 0 CGAERO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cccs1 ZINC000194216754 336009696 /nfs/dbraw/zinc/00/96/96/336009696.db2.gz JGXIQKGGPPEISZ-XBFCOCLRSA-N 1 0 279.405 3.054 10 0 CGAERO CC(C)C[NH2+]C[C@@H](C(C)C)N1CCc2sccc2C1 ZINC000052382850 519744627 /nfs/dbraw/zinc/74/46/27/519744627.db2.gz CRWYKANSBGRHIN-HNNXBMFYSA-N 1 0 280.481 3.376 10 0 CGAERO CC(C)Oc1cc2c(cc1C[NH2+]C(C)(C)C)OCO2 ZINC000062733864 519778125 /nfs/dbraw/zinc/77/81/25/519778125.db2.gz OUVPGENMSXYWQG-UHFFFAOYSA-N 1 0 265.353 3.091 10 0 CGAERO CC[NH2+]Cc1sc(N(CC(C)C)C2CC2)nc1CC ZINC000054999614 520033563 /nfs/dbraw/zinc/03/35/63/520033563.db2.gz BWYRUFIPUKERTA-UHFFFAOYSA-N 1 0 281.469 3.440 10 0 CGAERO CCCCN(CC)c1cc(Cl)ccc1C(N)=[NH2+] ZINC000062788755 520480557 /nfs/dbraw/zinc/48/05/57/520480557.db2.gz NROFFTYIEPEORX-UHFFFAOYSA-N 1 0 253.777 3.250 10 0 CGAERO CCC[C@H](C)N(C)c1nc(C)c(C[NH2+]CC)s1 ZINC000054997709 521036218 /nfs/dbraw/zinc/03/62/18/521036218.db2.gz QPYKMODOXNPSAS-JTQLQIEISA-N 1 0 255.431 3.186 10 0 CGAERO C[NH2+][C@@H](c1ccc(OC)cc1Cl)C1CCOCC1 ZINC000061672112 522369886 /nfs/dbraw/zinc/36/98/86/522369886.db2.gz DNEIHYFBILWOMN-CQSZACIVSA-N 1 0 269.772 3.036 10 0 CGAERO CCc1nc(N(C)c2ccc(C)cc2)sc1C[NH3+] ZINC000054999760 522381166 /nfs/dbraw/zinc/38/11/66/522381166.db2.gz OINKHYWHXBBTJO-UHFFFAOYSA-N 1 0 261.394 3.241 10 0 CGAERO CCN1CCC[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)C1 ZINC000040502130 535538051 /nfs/dbraw/zinc/53/80/51/535538051.db2.gz HBEZYPMACNQXFE-CQSZACIVSA-N 1 0 286.341 3.279 10 0 CGAERO CS[C@@H]1CC[C@H]1[NH2+][C@@H](C)COCc1ccccc1 ZINC000425342638 534005335 /nfs/dbraw/zinc/00/53/35/534005335.db2.gz HIBDRPIGKFZPMM-NWANDNLSSA-N 1 0 265.422 3.075 10 0 CGAERO CC(C)[NH2+]C[C@@H](OCCOc1ccccc1)C(C)C ZINC000052628390 519723143 /nfs/dbraw/zinc/72/31/43/519723143.db2.gz NSMBGILMKSJBTR-MRXNPFEDSA-N 1 0 265.397 3.105 10 0 CGAERO CC(C)C[NH2+]CC[C@H](C)N(C)Cc1cccc(F)c1 ZINC000052425421 519744123 /nfs/dbraw/zinc/74/41/23/519744123.db2.gz IGZVEHRUZYNHGY-AWEZNQCLSA-N 1 0 266.404 3.282 10 0 CGAERO CC(C)C[NH2+]C[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000062721049 519745187 /nfs/dbraw/zinc/74/51/87/519745187.db2.gz FUWUNZLVOZMJPP-WDEREUQCSA-N 1 0 257.299 3.453 10 0 CGAERO CC(C)[C@H]1CN(Cc2ccc(Cl)cc2)[C@H](C)C[NH2+]1 ZINC000068694726 519826826 /nfs/dbraw/zinc/82/68/26/519826826.db2.gz CBIAVNJKKNYAAP-IUODEOHRSA-N 1 0 266.816 3.158 10 0 CGAERO CCC[NH2+]CC[C@H](C)N(C)Cc1ccccc1F ZINC000052541496 519919555 /nfs/dbraw/zinc/91/95/55/519919555.db2.gz SBUBIWAWLKWVNV-ZDUSSCGKSA-N 1 0 252.377 3.036 10 0 CGAERO CC[NH2+]C[C@@H](O[C@H](C)CC)c1cccc(OC)c1 ZINC000050484828 519949460 /nfs/dbraw/zinc/94/94/60/519949460.db2.gz OJFKEOUOVWPWFN-IUODEOHRSA-N 1 0 251.370 3.161 10 0 CGAERO CC[NH2+]C[C@H](OCC(F)(F)F)c1cccc(C)c1 ZINC000050502238 519972580 /nfs/dbraw/zinc/97/25/80/519972580.db2.gz JXBDZSRYTDEBTM-LBPRGKRZSA-N 1 0 261.287 3.225 10 0 CGAERO CCC[NH2+][C@@H](C)[C@@H](C)CCCOCC(F)(F)F ZINC000049312820 519987327 /nfs/dbraw/zinc/98/73/27/519987327.db2.gz QRKQOBNTQGLWRI-QWRGUYRKSA-N 1 0 255.324 3.370 10 0 CGAERO CC[NH2+][C@@H](Cc1ccncc1)c1cc(F)ccc1C ZINC000055229228 520105501 /nfs/dbraw/zinc/10/55/01/520105501.db2.gz KUZCGQZINZQMJZ-INIZCTEOSA-N 1 0 258.340 3.422 10 0 CGAERO CC[NH2+][C@@H](c1cccnc1)C1(c2ccccc2)CC1 ZINC000062781405 520115237 /nfs/dbraw/zinc/11/52/37/520115237.db2.gz IBYMWDUMOUXXON-INIZCTEOSA-N 1 0 252.361 3.464 10 0 CGAERO CC[NH2+][C@@H]1CCC[C@H]1CN(C)c1cccc(F)c1 ZINC000053875637 520119244 /nfs/dbraw/zinc/11/92/44/520119244.db2.gz LULKIMUAGOPDND-SWLSCSKDSA-N 1 0 250.361 3.040 10 0 CGAERO CC[NH2+][C@H](CCOCC(F)(F)F)c1cccs1 ZINC000053790773 520191179 /nfs/dbraw/zinc/19/11/79/520191179.db2.gz FNBZDJKASAOGEI-SECBINFHSA-N 1 0 267.316 3.368 10 0 CGAERO CC[NH2+][C@H]1CCC[C@H]1N(C)[C@@H](C)c1ccccc1F ZINC000062013830 520215932 /nfs/dbraw/zinc/21/59/32/520215932.db2.gz KIQVWGXCQQMRPM-VBNZEHGJSA-N 1 0 264.388 3.349 10 0 CGAERO CCCOc1cccc(-c2ncc(C[NH2+]C)s2)c1 ZINC000052921104 520438429 /nfs/dbraw/zinc/43/84/29/520438429.db2.gz YEXFHDQFMZQYLJ-UHFFFAOYSA-N 1 0 262.378 3.318 10 0 CGAERO CCO[C@H](C[NH3+])CCOc1cccc(Cl)c1Cl ZINC000062741777 520517585 /nfs/dbraw/zinc/51/75/85/520517585.db2.gz ZBCMIRZPMIHXEN-VIFPVBQESA-N 1 0 278.179 3.126 10 0 CGAERO CCCCOCCOc1ccccc1[C@@H]([NH3+])CC ZINC000049261395 520794899 /nfs/dbraw/zinc/79/48/99/520794899.db2.gz DCMHKCDPYYPBNK-AWEZNQCLSA-N 1 0 251.370 3.292 10 0 CGAERO CCCC[C@H](CC)C[C@]1(C[NH2+]CCOC)CCOC1 ZINC000054666538 521180627 /nfs/dbraw/zinc/18/06/27/521180627.db2.gz NAJZPMLMSMITEC-HOTGVXAUSA-N 1 0 271.445 3.236 10 0 CGAERO CCCc1nc(N(C)[C@H](C)C(C)C)sc1C[NH2+]C ZINC000054997829 521529071 /nfs/dbraw/zinc/52/90/71/521529071.db2.gz ZTYUGZKZJFHVBH-LLVKDONJSA-N 1 0 269.458 3.296 10 0 CGAERO CCOc1ccccc1[C@@H]([NH3+])Cc1csc(C)n1 ZINC000055294910 521578804 /nfs/dbraw/zinc/57/88/04/521578804.db2.gz KBDGSLJTYCTZDZ-ZDUSSCGKSA-N 1 0 262.378 3.093 10 0 CGAERO [NH3+]CC1(CC(=O)N2C[C@H]3CCCCC[C@@H]32)CCCCC1 ZINC000364080825 534587914 /nfs/dbraw/zinc/58/79/14/534587914.db2.gz CGHRRZNEZYTYAY-CABCVRRESA-N 1 0 278.440 3.077 10 0 CGAERO C[NH2+]C[C@H](C(C)C)N(C)Cc1ccc(Cl)s1 ZINC000052508813 522063693 /nfs/dbraw/zinc/06/36/93/522063693.db2.gz SJHVJOJRSYUXFT-LLVKDONJSA-N 1 0 260.834 3.077 10 0 CGAERO CC[C@H](C[NH2+]CC(C)C)Oc1ccc(F)c(F)c1 ZINC000052700375 522194961 /nfs/dbraw/zinc/19/49/61/522194961.db2.gz SXJHVKUJHGGUSQ-LLVKDONJSA-N 1 0 257.324 3.368 10 0 CGAERO C[NH2+][C@@H](C)c1cnc(N(C)c2ccccc2F)s1 ZINC000054908017 522338208 /nfs/dbraw/zinc/33/82/08/522338208.db2.gz PYUJKSHOCZETAT-VIFPVBQESA-N 1 0 265.357 3.331 10 0 CGAERO C[NH2+][C@@H](CC1CC1)c1ccc2c(c1)CCCC(=O)N2 ZINC000049729806 522343039 /nfs/dbraw/zinc/34/30/39/522343039.db2.gz CFFJOTLBEYTYBH-HNNXBMFYSA-N 1 0 258.365 3.022 10 0 CGAERO CCc1nc(COc2cccc([C@H](C)[NH3+])c2)cs1 ZINC000049268406 522366909 /nfs/dbraw/zinc/36/69/09/522366909.db2.gz BWRILJXKRCNIJW-JTQLQIEISA-N 1 0 262.378 3.304 10 0 CGAERO C[NH2+][C@@H](c1cc(F)cc(F)c1)c1ccccc1F ZINC000052898248 522367469 /nfs/dbraw/zinc/36/74/69/522367469.db2.gz FUYQJIXPMASEFT-AWEZNQCLSA-N 1 0 251.251 3.413 10 0 CGAERO C[NH2+][C@@H](c1ccco1)c1cccc(OC(F)(F)F)c1 ZINC000061703746 522371651 /nfs/dbraw/zinc/37/16/51/522371651.db2.gz ZKXPIIGLZRGGJF-GFCCVEGCSA-N 1 0 271.238 3.487 10 0 CGAERO C[NH2+][C@@H](c1ccco1)c1ccc2c(c1)CC(C)(C)O2 ZINC000051755010 522372435 /nfs/dbraw/zinc/37/24/35/522372435.db2.gz VXYWSOUFIUWDAG-OAHLLOKOSA-N 1 0 257.333 3.302 10 0 CGAERO C[NH2+][C@@H](c1cccc(Cl)c1)c1cncc(F)c1 ZINC000049576263 522372672 /nfs/dbraw/zinc/37/26/72/522372672.db2.gz VVURGBPPGDLPHH-ZDUSSCGKSA-N 1 0 250.704 3.183 10 0 CGAERO C[NH2+][C@@H]1CCCc2nc(N(C)[C@@H](C)C(C)C)sc21 ZINC000054904452 522389777 /nfs/dbraw/zinc/38/97/77/522389777.db2.gz NKARNQSZUYOESO-WDEREUQCSA-N 1 0 267.442 3.221 10 0 CGAERO C[NH2+][C@H](c1cccnc1)c1cc(Cl)ccc1OC ZINC000055223078 522484644 /nfs/dbraw/zinc/48/46/44/522484644.db2.gz LBDRLFXHVNLHLO-CQSZACIVSA-N 1 0 262.740 3.052 10 0 CGAERO CNc1ccc(C[N@H+](C)Cc2ccccc2C)cn1 ZINC000050816972 522608006 /nfs/dbraw/zinc/60/80/06/522608006.db2.gz OKWUNUNTHVIYBD-UHFFFAOYSA-N 1 0 255.365 3.064 10 0 CGAERO CN(CCCC[NH2+]C(C)(C)C)c1ccccc1F ZINC000052543005 522735933 /nfs/dbraw/zinc/73/59/33/522735933.db2.gz YETUYPTZZZGLDL-UHFFFAOYSA-N 1 0 252.377 3.430 10 0 CGAERO CN(CCC[C@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000050954145 522787712 /nfs/dbraw/zinc/78/77/12/522787712.db2.gz XQVALDUFIZBKRG-CQSZACIVSA-N 1 0 250.361 3.184 10 0 CGAERO CC[C@H](C)CN(C)c1nc(C)c(C[NH2+]C(C)C)s1 ZINC000054997079 523870858 /nfs/dbraw/zinc/87/08/58/523870858.db2.gz SJRFHWYFWWCSNX-NSHDSACASA-N 1 0 269.458 3.432 10 0 CGAERO CCc1ccc(C[C@H](Cc2nc(C)cs2)[NH2+]C)s1 ZINC000055268387 523951621 /nfs/dbraw/zinc/95/16/21/523951621.db2.gz NEDHDAMAUANTLY-LLVKDONJSA-N 1 0 280.462 3.449 10 0 CGAERO CCc1cccc(C)c1N1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054601620 524062111 /nfs/dbraw/zinc/06/21/11/524062111.db2.gz HCZXDZQKHYVCJD-MQVJKMGUSA-N 1 0 258.409 3.406 10 0 CGAERO Cc1ccc(CN2CCC[NH2+][C@@H](CC(C)C)C2)cc1 ZINC000062657636 524447495 /nfs/dbraw/zinc/44/74/95/524447495.db2.gz SSBLGPGKPKOKEK-KRWDZBQOSA-N 1 0 260.425 3.205 10 0 CGAERO C[C@H](C[NH2+]C1CC1)Cc1ccccc1Br ZINC000052966499 524479416 /nfs/dbraw/zinc/47/94/16/524479416.db2.gz IHBOQWTXXZCADA-JTQLQIEISA-N 1 0 268.198 3.380 10 0 CGAERO Cc1ccc(CN2C[C@@H](C(C)C)[NH2+]C[C@@H]2C(C)C)cc1 ZINC000062668236 524480317 /nfs/dbraw/zinc/48/03/17/524480317.db2.gz XAHSHBLLKHMEHG-ZWKOTPCHSA-N 1 0 274.452 3.449 10 0 CGAERO Cc1ccc(F)cc1[C@@H]([NH3+])c1cc(F)ccc1F ZINC000055243426 524873783 /nfs/dbraw/zinc/87/37/83/524873783.db2.gz VYOZKDUQQRVKNE-CQSZACIVSA-N 1 0 251.251 3.460 10 0 CGAERO C[C@H]1C[C@H]1Nc1c(N)c[nH+]c2ccc(Br)cc21 ZINC000052274323 524965622 /nfs/dbraw/zinc/96/56/22/524965622.db2.gz KLUDIFJLZMQYRY-JVXZTZIISA-N 1 0 292.180 3.400 10 0 CGAERO Cc1cccc2oc([C@@H](C[NH3+])c3ccccc3)nc21 ZINC000061609502 525000249 /nfs/dbraw/zinc/00/02/49/525000249.db2.gz ZRABWFWBIRATGU-ZDUSSCGKSA-N 1 0 252.317 3.227 10 0 CGAERO C[C@@H]([NH3+])c1ccc(-n2ncc3ccccc32)c(F)c1 ZINC000050526229 525024813 /nfs/dbraw/zinc/02/48/13/525024813.db2.gz AJTNMGALAPHOKO-SNVBAGLBSA-N 1 0 255.296 3.184 10 0 CGAERO COc1ccc(SCc2[nH+]c(NN)ccc2Cl)cc1 ZINC000061640056 525105071 /nfs/dbraw/zinc/10/50/71/525105071.db2.gz UECWHXIROHRSOE-UHFFFAOYSA-N 1 0 295.795 3.322 10 0 CGAERO Cc1ccccc1CN1C[C@@H](C)[NH2+]Cc2ccccc21 ZINC000062662919 525147243 /nfs/dbraw/zinc/14/72/43/525147243.db2.gz KJHUMUOBXMMDGM-OAHLLOKOSA-N 1 0 266.388 3.493 10 0 CGAERO C[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1ccc2ccccc2c1 ZINC000102686765 525409868 /nfs/dbraw/zinc/40/98/68/525409868.db2.gz XHTSKDOCRANTIP-CYBMUJFWSA-N 1 0 284.403 3.405 10 0 CGAERO C[C@H]([NH2+]Cc1cncnc1)c1ccc2c(c1)CCCC2 ZINC000054767612 525480154 /nfs/dbraw/zinc/48/01/54/525480154.db2.gz GHSLWUSVDZNVFT-ZDUSSCGKSA-N 1 0 267.376 3.206 10 0 CGAERO CSc1ccc(NCCC[NH+]2CCCC2)cc1 ZINC000049332243 526042288 /nfs/dbraw/zinc/04/22/88/526042288.db2.gz ANFMYQDCGHXJJY-UHFFFAOYSA-N 1 0 250.411 3.306 10 0 CGAERO CC(C)(C)c1nc(C[NH2+][C@@H]2CCCC[C@@H]2CO)cs1 ZINC000219008196 534900615 /nfs/dbraw/zinc/90/06/15/534900615.db2.gz RVQUMHSXJFXGBH-DGCLKSJQSA-N 1 0 282.453 3.081 10 0 CGAERO CC(C)(C)OC(=O)N[C@H]1CC[C@H](C[NH+]2CCCC2)CC1 ZINC000255188939 534906522 /nfs/dbraw/zinc/90/65/22/534906522.db2.gz MSEQZQUQJNSYIK-HDJSIYSDSA-N 1 0 282.428 3.166 10 0 CGAERO Cc1nn(CC[NH2+]CCc2ccsc2)c(C)c1Cl ZINC000053536345 526280681 /nfs/dbraw/zinc/28/06/81/526280681.db2.gz NFLVVEDOXNNAPN-UHFFFAOYSA-N 1 0 283.828 3.047 10 0 CGAERO Cc1csc(C[C@H]([NH3+])c2cccc3cnccc32)n1 ZINC000061124558 526367051 /nfs/dbraw/zinc/36/70/51/526367051.db2.gz PALREPKXFSFGGE-AWEZNQCLSA-N 1 0 269.373 3.242 10 0 CGAERO Cc1csc(C[C@@H]([NH3+])c2cccc3cnccc32)n1 ZINC000061124561 526367273 /nfs/dbraw/zinc/36/72/73/526367273.db2.gz PALREPKXFSFGGE-CQSZACIVSA-N 1 0 269.373 3.242 10 0 CGAERO Fc1cccc(OCC[NH2+]C2CCCCC2)c1F ZINC000062655264 526397385 /nfs/dbraw/zinc/39/73/85/526397385.db2.gz XISLWOOXEHTKBH-UHFFFAOYSA-N 1 0 255.308 3.266 10 0 CGAERO Cc1nc(-c2ccco2)nc(C)c1C[NH2+]C(C)(C)C ZINC000054854433 526614920 /nfs/dbraw/zinc/61/49/20/526614920.db2.gz SKTSWMHHXRVGEA-UHFFFAOYSA-N 1 0 259.353 3.242 10 0 CGAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CC1(CCO)CC1 ZINC000157448564 526718536 /nfs/dbraw/zinc/71/85/36/526718536.db2.gz WIMXKBMAWWRADF-KBPBESRZSA-N 1 0 253.430 3.344 10 0 CGAERO Cc1oc(CN(C)Cc2ccccc2Cl)cc1C[NH3+] ZINC000052371946 526770052 /nfs/dbraw/zinc/77/00/52/526770052.db2.gz YAXUBBNLUNJWQX-UHFFFAOYSA-N 1 0 278.783 3.332 10 0 CGAERO Cc1[nH+]c2ccc(N(C)C)cc2c(NN)c1C(C)C ZINC000061687799 527139799 /nfs/dbraw/zinc/13/97/99/527139799.db2.gz NVBCVEJKTXHTPK-UHFFFAOYSA-N 1 0 258.369 3.018 10 0 CGAERO [NH3+]C[C@@H](c1nc2cc(Cl)ccc2[nH]1)c1ccccc1 ZINC000061608811 527207437 /nfs/dbraw/zinc/20/74/37/527207437.db2.gz CAIPALXYACJCBK-GFCCVEGCSA-N 1 0 271.751 3.307 10 0 CGAERO Cc1nc[nH]c1C[NH2+][C@@H](C)Cc1ccccc1Cl ZINC000054794811 527214624 /nfs/dbraw/zinc/21/46/24/527214624.db2.gz AFBUHPNKCSZRQY-JTQLQIEISA-N 1 0 263.772 3.092 10 0 CGAERO NCc1oc2ccccc2c1C[NH+]1CCCCCC1 ZINC000052381880 527267820 /nfs/dbraw/zinc/26/78/20/527267820.db2.gz CUISUAQEZKLHKA-UHFFFAOYSA-N 1 0 258.365 3.268 10 0 CGAERO [NH3+][C@@H](Cc1ccc(C(F)(F)F)cc1)C1CCOCC1 ZINC000061672989 527333816 /nfs/dbraw/zinc/33/38/16/527333816.db2.gz JGIPQVZGGZCCGC-ZDUSSCGKSA-N 1 0 273.298 3.002 10 0 CGAERO [NH3+][C@@H](Cc1ccc(F)c(Br)c1)c1cccnc1 ZINC000049599013 527334737 /nfs/dbraw/zinc/33/47/37/527334737.db2.gz FTVVGTAOGNUKFF-ZDUSSCGKSA-N 1 0 295.155 3.226 10 0 CGAERO [NH3+][C@@H](c1ccncc1)c1cccc(OC(F)(F)F)c1 ZINC000061703504 527338832 /nfs/dbraw/zinc/33/88/32/527338832.db2.gz DYWRNZCYYQDKFQ-LBPRGKRZSA-N 1 0 268.238 3.028 10 0 CGAERO CC[C@H](C)Oc1cccc(N[C@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000400728347 529197503 /nfs/dbraw/zinc/19/75/03/529197503.db2.gz QAGGNZLIWQFYSJ-BFHYXJOUSA-N 1 0 262.397 3.274 10 0 CGAERO CCC[C@@H](C(=O)N[C@@H](C)c1ccc(Cl)s1)[NH+](C)C ZINC000093076447 535318553 /nfs/dbraw/zinc/31/85/53/535318553.db2.gz KIFONXDUQZWRNI-UWVGGRQHSA-N 1 0 288.844 3.309 10 0 CGAERO CCN1CCC[C@@H]([NH2+]Cc2ccc3nc(C)ccc3c2)C1 ZINC000097861512 535538532 /nfs/dbraw/zinc/53/85/32/535538532.db2.gz TVYAPTORGXMYLR-QGZVFWFLSA-N 1 0 283.419 3.117 10 0 CGAERO CC[C@@H]1C[NH2+][C@@H](C)CN1c1cc(Cl)ccc1F ZINC000083418414 535825178 /nfs/dbraw/zinc/82/51/78/535825178.db2.gz CYCRQLNFZSBPPR-GXSJLCMTSA-N 1 0 256.752 3.056 10 0 CGAERO CC(C)(C)[C@@H]1CC=C([C@](O)(C[NH3+])C(F)(F)F)CC1 ZINC000675052521 570321859 /nfs/dbraw/zinc/32/18/59/570321859.db2.gz FZSBTPVSRMHHBC-BXKDBHETSA-N 1 0 265.319 3.011 10 0 CGAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000217633475 572395788 /nfs/dbraw/zinc/39/57/88/572395788.db2.gz PZHNPUPGVWAWLT-TUVASFSCSA-N 1 0 253.430 3.484 10 0 CGAERO CC(C)[C@H]1[NH2+]C2(CCSCC2)OCC12CCC2 ZINC000757151066 617813806 /nfs/dbraw/zinc/81/38/06/617813806.db2.gz YPKRNUKVXNIUOE-GFCCVEGCSA-N 1 0 255.427 3.024 10 0 CGAERO CC1(C)CC[NH2+][C@@]2(CCC[C@H](C(F)(F)F)C2)O1 ZINC000757153637 617819440 /nfs/dbraw/zinc/81/94/40/617819440.db2.gz YITWCHZMRXJYMX-ONGXEEELSA-N 1 0 251.292 3.224 10 0 CGAERO [NH3+]CC1(c2cc(Br)ccc2F)CC(F)(F)C1 ZINC000757192683 617840278 /nfs/dbraw/zinc/84/02/78/617840278.db2.gz ZVPIBEKMSFVNMG-UHFFFAOYSA-N 1 0 294.114 3.214 10 0 CGAERO CCCCC[C@H](C)NC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000177321684 617926856 /nfs/dbraw/zinc/92/68/56/617926856.db2.gz LXAKVWMZORZDLG-LSDHHAIUSA-N 1 0 283.460 3.081 10 0 CGAERO CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]1OC ZINC000050369376 618097727 /nfs/dbraw/zinc/09/77/27/618097727.db2.gz TZUYVLHEPDQTAU-BJJXKVORSA-N 1 0 263.381 3.303 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000223146727 618191806 /nfs/dbraw/zinc/19/18/06/618191806.db2.gz YYGFZDUFPPTIEV-RHSMWYFYSA-N 1 0 280.431 3.323 10 0 CGAERO COc1ccc(-c2ccc(C[NH3+])cc2C)c(OC)c1 ZINC000091473098 618671701 /nfs/dbraw/zinc/67/17/01/618671701.db2.gz ZGIHEQIUBKMBSW-UHFFFAOYSA-N 1 0 257.333 3.138 10 0 CGAERO FCC[C@@H]1CCC[C@@H]1[NH2+]CCSC(F)(F)F ZINC000309571567 618742941 /nfs/dbraw/zinc/74/29/41/618742941.db2.gz NAQNKKHSVKOBBO-IUCAKERBSA-N 1 0 259.312 3.357 10 0 CGAERO [NH3+]CCc1ccc(CNc2cccc(C(F)(F)F)n2)cc1 ZINC000052899291 618854186 /nfs/dbraw/zinc/85/41/86/618854186.db2.gz PTKPXLKNWSWKLL-UHFFFAOYSA-N 1 0 295.308 3.214 10 0 CGAERO CCON1CCC([NH2+][C@@H](C)c2ccc(CC)cc2)CC1 ZINC000323347759 620539061 /nfs/dbraw/zinc/53/90/61/620539061.db2.gz IAXMERIWUQZOCE-AWEZNQCLSA-N 1 0 276.424 3.316 10 0 CGAERO CCON1CCC([NH2+]C2CCC(C(F)(F)F)CC2)CC1 ZINC000323471149 620553791 /nfs/dbraw/zinc/55/37/91/620553791.db2.gz JQUDXUGISMGECK-UHFFFAOYSA-N 1 0 294.361 3.113 10 0 CGAERO COc1ccc(CC[C@H](C)[NH2+]C[C@@H](O)C(C)(C)C)cc1 ZINC000164034993 622812106 /nfs/dbraw/zinc/81/21/06/622812106.db2.gz XGXRZSUQCJPDCE-XJKSGUPXSA-N 1 0 279.424 3.013 10 0 CGAERO Fc1cc(F)cc(CC[NH2+]CCc2ccccc2)c1 ZINC000060717481 623062339 /nfs/dbraw/zinc/06/23/39/623062339.db2.gz VROCLDMOVAVIFI-UHFFFAOYSA-N 1 0 261.315 3.340 10 0 CGAERO C[NH+](C)[C@@H]1CCN(Cc2cc3ccccc3nc2Cl)C1 ZINC000062965449 623286127 /nfs/dbraw/zinc/28/61/27/623286127.db2.gz QLBAYYVYVHVLBV-CQSZACIVSA-N 1 0 289.810 3.024 10 0 CGAERO CC1(C)CCC[N@@H+]1C[C@H](O)c1cc2ccccc2o1 ZINC000063072361 623291919 /nfs/dbraw/zinc/29/19/19/623291919.db2.gz PGMYRYCALPLVKX-ZDUSSCGKSA-N 1 0 259.349 3.341 10 0 CGAERO C[NH+](C)CCOc1ccc(-c2cccc(C=O)c2)cc1 ZINC000031995861 623800249 /nfs/dbraw/zinc/80/02/49/623800249.db2.gz GJOQPNMNPWXXRE-UHFFFAOYSA-N 1 0 269.344 3.107 10 0 CGAERO C[C@H](NC(=O)CCCCC[NH3+])c1ccc(F)cc1Cl ZINC000155186704 624448326 /nfs/dbraw/zinc/44/83/26/624448326.db2.gz AXBXJPFYLIJWFY-JTQLQIEISA-N 1 0 286.778 3.175 10 0 CGAERO CCSc1ccc(-c2noc(C[C@@H]([NH3+])C(C)C)n2)cc1 ZINC000233862175 624652166 /nfs/dbraw/zinc/65/21/66/624652166.db2.gz NCTIEVFFEXCYAQ-CYBMUJFWSA-N 1 0 291.420 3.374 10 0 CGAERO CC(C)(C)Cc1noc([C@@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000068849639 624764122 /nfs/dbraw/zinc/76/41/22/624764122.db2.gz GIHRWAKYIOHJHU-MNOVXSKESA-N 1 0 251.374 3.033 10 0 CGAERO Cc1ccc([C@@H](C)[NH2+]CCC(=O)OCc2ccccc2)o1 ZINC000182576496 625014492 /nfs/dbraw/zinc/01/44/92/625014492.db2.gz MGARIOXDGRZSAW-CQSZACIVSA-N 1 0 287.359 3.372 10 0 CGAERO CC(=O)Oc1ccc(C[NH2+][C@H](C)c2ccc(C)o2)cc1 ZINC000182602377 625016458 /nfs/dbraw/zinc/01/64/58/625016458.db2.gz GGCINLVSSDPXMW-GFCCVEGCSA-N 1 0 273.332 3.364 10 0 CGAERO CCC[N@@H+]1CCC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000757572992 630621900 /nfs/dbraw/zinc/62/19/00/630621900.db2.gz WPVFKUOWFUZNRQ-ZDUSSCGKSA-N 1 0 251.345 3.424 10 0 CGAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CCCC2CC2)C1 ZINC000130630321 636485546 /nfs/dbraw/zinc/48/55/46/636485546.db2.gz SZKTZYGNLIBPGI-OAHLLOKOSA-N 1 0 296.455 3.413 10 0 CGAERO Cc1ccccc1C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C ZINC000222090709 637774432 /nfs/dbraw/zinc/77/44/32/637774432.db2.gz YTHBHGJEZYHHNE-CQSZACIVSA-N 1 0 292.423 3.388 10 0 CGAERO Cc1cccc(-c2noc([C@H]3CCCC[C@H]3C[NH3+])n2)c1 ZINC000089383404 640642653 /nfs/dbraw/zinc/64/26/53/640642653.db2.gz VVMNWBDRYLMPHH-KBPBESRZSA-N 1 0 271.364 3.278 10 0 CGAERO Cc1ccccc1Cc1noc([C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000089383526 640643494 /nfs/dbraw/zinc/64/34/94/640643494.db2.gz XETFIJWVQKPJPR-CABCVRRESA-N 1 0 285.391 3.201 10 0 CGAERO COc1ccc(NC(=O)[C@H]2CCCC[C@H]2C[NH3+])cc1Cl ZINC000089385700 640643538 /nfs/dbraw/zinc/64/35/38/640643538.db2.gz MGLGKRKGUSBANK-JQWIXIFHSA-N 1 0 296.798 3.052 10 0 CGAERO CCCCCC[C@H](C)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246778175 640693307 /nfs/dbraw/zinc/69/33/07/640693307.db2.gz PVHAHJUSAJBTJA-XHSDSOJGSA-N 1 0 280.456 3.288 10 0 CGAERO C[C@H](NC(=O)[C@H]1CC[NH2+][C@@H]1C)c1ccc(C(C)(C)C)cc1 ZINC000092951657 640753031 /nfs/dbraw/zinc/75/30/31/640753031.db2.gz PIDQSDRVSXKJNU-ZENOOKHLSA-N 1 0 288.435 3.159 10 0 CGAERO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000252194013 640840109 /nfs/dbraw/zinc/84/01/09/640840109.db2.gz SBTGLIWLOCRVKC-QPSCCSFWSA-N 1 0 296.455 3.458 10 0 CGAERO Cn1cc([C@H]2CCC[N@@H+]2Cc2ccc3ccccc3n2)cn1 ZINC000124501810 187140350 /nfs/dbraw/zinc/14/03/50/187140350.db2.gz JIKAQQRUFMTELG-GOSISDBHSA-N 1 0 292.386 3.305 10 0 CGAERO CCCc1nc(-c2cccc(OC)c2)sc1C[NH3+] ZINC000082428376 178004520 /nfs/dbraw/zinc/00/45/20/178004520.db2.gz BZMMICKBSHVRJE-UHFFFAOYSA-N 1 0 262.378 3.230 10 0 CGAERO COc1ccccc1Cc1nc(C(C)C)c(C[NH3+])s1 ZINC000082429584 178006759 /nfs/dbraw/zinc/00/67/59/178006759.db2.gz USGHWTFPSIAQKU-UHFFFAOYSA-N 1 0 276.405 3.325 10 0 CGAERO CC(C)(C)OC(=O)C(C)(C)Sc1ccc(CC[NH3+])cc1 ZINC000095918471 185031258 /nfs/dbraw/zinc/03/12/58/185031258.db2.gz RBWSVDKKZKPEHT-UHFFFAOYSA-N 1 0 295.448 3.400 10 0 CGAERO COc1ccc(C2(c3ccc(OC)cc3)CCC[NH2+]C2)cc1 ZINC000096028260 185067676 /nfs/dbraw/zinc/06/76/76/185067676.db2.gz RTULZFWQPHYFJQ-UHFFFAOYSA-N 1 0 297.398 3.373 10 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274.408 3.138 10 0 CGAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2ccsc2C(F)(F)F)C1 ZINC000623373875 349792543 /nfs/dbraw/zinc/79/25/43/349792543.db2.gz OZAQUHICVPPCTJ-NXEZZACHSA-N 1 0 279.327 3.160 10 0 CGAERO CC[C@@H]1CN([C@@H](C)c2ccc(Cl)cc2)[C@H](C)C[NH2+]1 ZINC000083493699 178518474 /nfs/dbraw/zinc/51/84/74/178518474.db2.gz RPVGWAFBRNLPFG-TYNCELHUSA-N 1 0 266.816 3.473 10 0 CGAERO CC[C@H]1CN(Cc2c(F)cccc2Cl)[C@H](C)C[NH2+]1 ZINC000083518023 178552728 /nfs/dbraw/zinc/55/27/28/178552728.db2.gz VGIWTFHRBPIXIY-MNOVXSKESA-N 1 0 270.779 3.051 10 0 CGAERO Cc1ccccc1[C@@H](C)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000128001151 187346061 /nfs/dbraw/zinc/34/60/61/187346061.db2.gz XSLGWXCPCBCWQR-OAHLLOKOSA-N 1 0 296.418 3.423 10 0 CGAERO C[C@H]1CCCC2(CCN(CCC[NH+](C)C)CC2)C1 ZINC000004958227 344860446 /nfs/dbraw/zinc/86/04/46/344860446.db2.gz PFFLLTQAJKTLEG-HNNXBMFYSA-N 1 0 252.446 3.230 10 0 CGAERO Cc1cc(C)c2ncc([C@@H](O)[C@H]3CCCC[NH2+]3)cc2c1 ZINC000032229388 344930551 /nfs/dbraw/zinc/93/05/51/344930551.db2.gz 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346093466 /nfs/dbraw/zinc/09/34/66/346093466.db2.gz YLUCJENIGCURGA-CYBMUJFWSA-N 1 0 259.736 3.269 10 0 CGAERO Cc1c(NC(=O)C(C)C)cccc1C1CC[NH2+]CC1 ZINC000138608639 346096922 /nfs/dbraw/zinc/09/69/22/346096922.db2.gz IXWBLRQXHJGLFJ-UHFFFAOYSA-N 1 0 260.381 3.057 10 0 CGAERO C[N@H+]1CC=C(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000145101594 346119704 /nfs/dbraw/zinc/11/97/04/346119704.db2.gz QAOTUNBTDCYQPP-UHFFFAOYSA-N 1 0 279.383 3.184 10 0 CGAERO C[NH2+]C[C@H]1Cc2cccc(-c3ccc(F)cc3)c2O1 ZINC000146416542 346123426 /nfs/dbraw/zinc/12/34/26/346123426.db2.gz QEUXJNJPISJWDL-CQSZACIVSA-N 1 0 257.308 3.016 10 0 CGAERO c1ccc(CO[C@H]2C[NH2+]C[C@H](COc3ccccc3)C2)cc1 ZINC000147199792 346125800 /nfs/dbraw/zinc/12/58/00/346125800.db2.gz QXUWIMWPSXTCPL-IEBWSBKVSA-N 1 0 297.398 3.260 10 0 CGAERO CC1(C)CSC2(CCN(Cc3ccccc3)CC2)[NH2+]1 ZINC000159198799 346166955 /nfs/dbraw/zinc/16/69/55/346166955.db2.gz ZTKKSGKOBYMPAV-UHFFFAOYSA-N 1 0 276.449 3.094 10 0 CGAERO C[N@H+]1Cc2ccccc2[C@H](c2ccc3cnncc3c2)C1 ZINC000164853602 346183175 /nfs/dbraw/zinc/18/31/75/346183175.db2.gz DSHGJWQSNUKNEG-SFHVURJKSA-N 1 0 275.355 3.207 10 0 CGAERO CC[C@H]1CC[C@@H](CCc2ccccc2NC=O)[N@H+](C)C1 ZINC000165434936 346184132 /nfs/dbraw/zinc/18/41/32/346184132.db2.gz NZEAMXVHHJRCEN-HOCLYGCPSA-N 1 0 274.408 3.308 10 0 CGAERO CCC[C@H]([NH3+])c1csc(I)c1 ZINC000167384923 346189083 /nfs/dbraw/zinc/18/90/83/346189083.db2.gz FRNXGJFHNYCPKX-ZETCQYMHSA-N 1 0 281.162 3.153 10 0 CGAERO CC(C)[NH2+]CCN1CCCc2cc(Br)ccc21 ZINC000167647156 346189214 /nfs/dbraw/zinc/18/92/14/346189214.db2.gz MEGBEGGHKGIJKK-UHFFFAOYSA-N 1 0 297.240 3.200 10 0 CGAERO C[NH+](C)CCOc1ccc(-c2ccccc2)cc1C=O ZINC000167883246 346189788 /nfs/dbraw/zinc/18/97/88/346189788.db2.gz OGURLZULRFMDFQ-UHFFFAOYSA-N 1 0 269.344 3.107 10 0 CGAERO CCC(CC)CO[C@@H]1C[NH2+]CC[C@H]1c1ccoc1 ZINC000168287709 346190489 /nfs/dbraw/zinc/19/04/89/346190489.db2.gz WEZPWYINNFMBFP-LSDHHAIUSA-N 1 0 251.370 3.178 10 0 CGAERO Cc1cccc(C)c1CN1Cc2ccccc2NC1=[NH2+] ZINC000168582657 346191208 /nfs/dbraw/zinc/19/12/08/346191208.db2.gz WBPISGHRGGPEKI-UHFFFAOYSA-N 1 0 265.360 3.265 10 0 CGAERO CC[C@H](C)[N@@H+](Cc1ccc(C)cc1)C[C@@H](O)COC(C)C ZINC000169677064 346192839 /nfs/dbraw/zinc/19/28/39/346192839.db2.gz GTTCZYVSUIGWMI-FUHWJXTLSA-N 1 0 293.451 3.381 10 0 CGAERO CO[C@H]1CCC12CC[NH+](Cc1sccc1C)CC2 ZINC000169791909 346193129 /nfs/dbraw/zinc/19/31/29/346193129.db2.gz VAHVINXWAOXZRF-AWEZNQCLSA-N 1 0 265.422 3.448 10 0 CGAERO C[C@]1(c2ccccc2)CCN2CC[NH2+]Cc3cccc1c32 ZINC000210470006 346285349 /nfs/dbraw/zinc/28/53/49/346285349.db2.gz HLTUJLABXMGNHD-LJQANCHMSA-N 1 0 278.399 3.306 10 0 CGAERO C[C@@H]1CC[C@@]2(C[NH+]=C(N)N2Cc2ccccc2)[C@@H](C)C1 ZINC000223673328 346300369 /nfs/dbraw/zinc/30/03/69/346300369.db2.gz HNAKDSIUBVKOFY-JKIFEVAISA-N 1 0 271.408 3.012 10 0 CGAERO CC[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[NH2+]C[C@@H]1C ZINC000215572513 346289090 /nfs/dbraw/zinc/28/90/90/346289090.db2.gz CXSLBZWYNVEYPT-FZMZJTMJSA-N 1 0 286.341 3.450 10 0 CGAERO CC1(C)C[C@H]1[C@H]([NH3+])Cc1sccc1Br ZINC000232788671 346327926 /nfs/dbraw/zinc/32/79/26/346327926.db2.gz HTGALLAXEBCVHN-IONNQARKSA-N 1 0 274.227 3.427 10 0 CGAERO C[C@@H]1C[C@H](c2ccc(Br)s2)[C@@H](C)[NH2+]1 ZINC000227095436 346307968 /nfs/dbraw/zinc/30/79/68/346307968.db2.gz GCOSBZNWSNWTBH-PRJMDXOYSA-N 1 0 260.200 3.365 10 0 CGAERO CCCn1cc(CN[C@@H](C)c2cc(F)ccc2F)cn1 ZINC000227282890 346309144 /nfs/dbraw/zinc/30/91/44/346309144.db2.gz OMYNHOWZNULGNY-NSHDSACASA-N 1 0 279.334 3.422 10 0 CGAERO Clc1sc(C[C@@H]2CCC[NH2+]2)cc1Br ZINC000228008624 346312572 /nfs/dbraw/zinc/31/25/72/346312572.db2.gz GVUIGWCICSASED-LURJTMIESA-N 1 0 280.618 3.459 10 0 CGAERO C[C@@H]([NH3+])C[C@@H](C)Nc1ncc(C(F)(F)F)cc1Cl ZINC000228267147 346313872 /nfs/dbraw/zinc/31/38/72/346313872.db2.gz QUQPVEVQJXNSCM-RNFRBKRXSA-N 1 0 281.709 3.292 10 0 CGAERO C[C@H]([NH3+])C[C@H](C)Nc1ncc(C(F)(F)F)cc1Cl ZINC000228267177 346314107 /nfs/dbraw/zinc/31/41/07/346314107.db2.gz QUQPVEVQJXNSCM-BQBZGAKWSA-N 1 0 281.709 3.292 10 0 CGAERO Brc1csc([C@H]2CSCCC[NH2+]2)c1 ZINC000229867389 346319294 /nfs/dbraw/zinc/31/92/94/346319294.db2.gz JRZALKWQZINSKM-MRVPVSSYSA-N 1 0 278.240 3.278 10 0 CGAERO C[C@H]1CSC[C@H](c2cc(Br)cs2)[NH2+]1 ZINC000229867334 346319354 /nfs/dbraw/zinc/31/93/54/346319354.db2.gz OCYHVHSBQNBCRN-POYBYMJQSA-N 1 0 278.240 3.277 10 0 CGAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000231674384 346322652 /nfs/dbraw/zinc/32/26/52/346322652.db2.gz PONBRNQYMVASOO-JMSVASOKSA-N 1 0 275.392 3.297 10 0 CGAERO Cc1cc(Cl)ccc1C[NH2+][C@@H]1CCCCC[C@H]1O ZINC000235794707 346337928 /nfs/dbraw/zinc/33/79/28/346337928.db2.gz HHENLVVSXZZFNO-HUUCEWRRSA-N 1 0 267.800 3.432 10 0 CGAERO Nc1[nH+]c2cc(F)c(Cl)cc2n1Cc1ccccc1 ZINC000236378573 346340295 /nfs/dbraw/zinc/34/02/95/346340295.db2.gz WOAWYCRTUCFDTG-UHFFFAOYSA-N 1 0 275.714 3.459 10 0 CGAERO COc1cc2c(CCC[NH2+]C3CC3)c[nH]c2c(C)c1 ZINC000098160042 185694332 /nfs/dbraw/zinc/69/43/32/185694332.db2.gz OEFVWLPQDDQUDZ-UHFFFAOYSA-N 1 0 258.365 3.170 10 0 CGAERO CC(C)[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000306282253 346452186 /nfs/dbraw/zinc/45/21/86/346452186.db2.gz MRYOCYBHJCWJDJ-QMMMGPOBSA-N 1 0 260.200 3.496 10 0 CGAERO C[C@@]1(Cc2cscc2Br)CCC[NH2+]1 ZINC000306309216 346452887 /nfs/dbraw/zinc/45/28/87/346452887.db2.gz ICGBZVSTMFSTRH-JTQLQIEISA-N 1 0 260.200 3.195 10 0 CGAERO Brc1cc([C@@H]2[NH2+]C[C@@H]2C2CC2)cs1 ZINC000307383213 346462174 /nfs/dbraw/zinc/46/21/74/346462174.db2.gz CEWCWMVPXZOLGD-SCZZXKLOSA-N 1 0 258.184 3.181 10 0 CGAERO C[C@H]1[N@H+](Cc2ccccc2)CC[C@]12N[C@H](C)CCS2 ZINC000307614778 346464308 /nfs/dbraw/zinc/46/43/08/346464308.db2.gz LUJLVGIRSOMEPO-IIAWOOMASA-N 1 0 276.449 3.092 10 0 CGAERO C[C@@H](COCc1ccccc1)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000390589131 346574334 /nfs/dbraw/zinc/57/43/34/346574334.db2.gz OLRVHVNGFDYSHG-HOCLYGCPSA-N 1 0 277.408 3.139 10 0 CGAERO Cc1ccc(C(F)(F)F)c(C(F)(F)F)c1C[NH3+] ZINC000514264502 346636140 /nfs/dbraw/zinc/63/61/40/346636140.db2.gz LRIIMLDGTNPZPC-UHFFFAOYSA-N 1 0 257.177 3.491 10 0 CGAERO c1ccc2c(c1)Oc1ncccc1C2=C1CC[NH2+]CC1 ZINC000584638304 346701811 /nfs/dbraw/zinc/70/18/11/346701811.db2.gz MGTZCDDNEPXFMU-UHFFFAOYSA-N 1 0 264.328 3.373 10 0 CGAERO O[C@H](c1ccccc1)[C@H]1CCCC[C@H]1[NH+]1CCCC1 ZINC000584596066 346687825 /nfs/dbraw/zinc/68/78/25/346687825.db2.gz LYJDWVXQYOZXQR-GVDBMIGSSA-N 1 0 259.393 3.375 10 0 CGAERO CC[C@@H]1CC[N@H+](C)[C@@H]2Cc3ccc(O)cc3[C@@H](C)[C@@H]12 ZINC000584597654 346688473 /nfs/dbraw/zinc/68/84/73/346688473.db2.gz LTYMCECMZNPKMQ-SKNMWMDOSA-N 1 0 259.393 3.398 10 0 CGAERO C[N@@H+]1CC[C@]23CCCC[C@@H]2c2cc(O)ccc2C[C@H]13 ZINC000584602597 346689690 /nfs/dbraw/zinc/68/96/90/346689690.db2.gz OFKWFECOZWXSBS-IXDOHACOSA-N 1 0 257.377 3.296 10 0 CGAERO [NH3+]C[C@@H](c1ccccc1)N1CCCc2ccccc21 ZINC000019271540 136577041 /nfs/dbraw/zinc/57/70/41/136577041.db2.gz JLRRUOZAYMUTEM-KRWDZBQOSA-N 1 0 252.361 3.139 10 0 CGAERO Cc1cnn(CC[NH2+][C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c1 ZINC000300409793 232621855 /nfs/dbraw/zinc/62/18/55/232621855.db2.gz VFYNHFJPRBHHRM-CWRNSKLLSA-N 1 0 263.429 3.242 10 0 CGAERO Cc1ccc(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)cc1C ZINC000128491646 187374471 /nfs/dbraw/zinc/37/44/71/187374471.db2.gz YOJBXNZGFSZVMU-INIZCTEOSA-N 1 0 269.392 3.026 10 0 CGAERO C/C(=C/c1ccccc1)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000128571066 187377747 /nfs/dbraw/zinc/37/77/47/187377747.db2.gz BHSJJSCUAHEJMI-CFINBHSISA-N 1 0 296.418 3.094 10 0 CGAERO COC(=O)CCCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000609574506 348347327 /nfs/dbraw/zinc/34/73/27/348347327.db2.gz HPKXAOYTLDEHRT-NSHDSACASA-N 1 0 269.772 3.334 10 0 CGAERO CCOC(=O)c1ccc([C@@H]2CCCC[N@@H+]2CC)cc1 ZINC000616616064 348846346 /nfs/dbraw/zinc/84/63/46/348846346.db2.gz YTXXCFOMVXVXRR-HNNXBMFYSA-N 1 0 261.365 3.410 10 0 CGAERO CC(C)Oc1ccc(-c2cnc([C@@H]3CCC[NH2+]3)cn2)cc1 ZINC000616577117 348834213 /nfs/dbraw/zinc/83/42/13/348834213.db2.gz FIAWBAVIZPGVEE-HNNXBMFYSA-N 1 0 283.375 3.355 10 0 CGAERO C[C@]12CCC[C@@]1(C)[NH2+][C@@H](C(=O)OCc1ccccc1)C2 ZINC000616581956 348835637 /nfs/dbraw/zinc/83/56/37/348835637.db2.gz GABUXTYNXKSCLF-DJIMGWMZSA-N 1 0 273.376 3.041 10 0 CGAERO CNc1ccc([C@H]2CCN(CC[NH3+])c3ccccc32)cc1 ZINC000616587269 348836640 /nfs/dbraw/zinc/83/66/40/348836640.db2.gz FXJJDMVZJFQDKB-MRXNPFEDSA-N 1 0 281.403 3.029 10 0 CGAERO CC[N@@H+]1CCCOC[C@@H]1c1cccc2ccncc21 ZINC000616598475 348839925 /nfs/dbraw/zinc/83/99/25/348839925.db2.gz BIUCLPZYLZVSCY-MRXNPFEDSA-N 1 0 256.349 3.018 10 0 CGAERO CC(C)[N@@H+]1CCOCC[C@H]1c1ccc2ccccc2n1 ZINC000616597717 348839996 /nfs/dbraw/zinc/83/99/96/348839996.db2.gz IZEVYBYJARBSHK-KRWDZBQOSA-N 1 0 270.376 3.407 10 0 CGAERO CC(C)C1([NH2+][C@@H](C)c2ncc(Br)cn2)CC1 ZINC000339506684 215217216 /nfs/dbraw/zinc/21/72/16/215217216.db2.gz ARODXMUNAAHXHX-VIFPVBQESA-N 1 0 284.201 3.078 10 0 CGAERO CC[N@@H+]1CCOCC[C@@H]1c1ccnc2ccccc21 ZINC000616599744 348841421 /nfs/dbraw/zinc/84/14/21/348841421.db2.gz VSHGIMVEOPMWJK-MRXNPFEDSA-N 1 0 256.349 3.018 10 0 CGAERO CC(C)[N@@H+]1CCC[C@@H](c2cccc3nnccc32)C1 ZINC000616612147 348845657 /nfs/dbraw/zinc/84/56/57/348845657.db2.gz XAFRITHJCKKJOF-CYBMUJFWSA-N 1 0 255.365 3.218 10 0 CGAERO [NH3+]CCN1CCCCC[C@@H]1c1cccc2cnccc21 ZINC000616623812 348849770 /nfs/dbraw/zinc/84/97/70/348849770.db2.gz ILFGPTVHHZCMLT-QGZVFWFLSA-N 1 0 269.392 3.111 10 0 CGAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2ccc3ncccc3c2)C1 ZINC000616646017 348854211 /nfs/dbraw/zinc/85/42/11/348854211.db2.gz WPJKMRZMJZDDIG-MRXNPFEDSA-N 1 0 270.376 3.407 10 0 CGAERO CCOC(=O)c1ccccc1[C@H]1COCCC[N@@H+]1C(C)C ZINC000616645404 348854456 /nfs/dbraw/zinc/85/44/56/348854456.db2.gz KSRPBCIMCIBDRU-MRXNPFEDSA-N 1 0 291.391 3.035 10 0 CGAERO OCc1ccccc1[C@@H]1COCCC[N@@H+]1Cc1ccccc1 ZINC000616648699 348855820 /nfs/dbraw/zinc/85/58/20/348855820.db2.gz VPIYHXBUBOSYCL-IBGZPJMESA-N 1 0 297.398 3.143 10 0 CGAERO CC[N@@H+]1CCCC[C@@H](c2cc3ccccc3nn2)C1 ZINC000616656325 348857930 /nfs/dbraw/zinc/85/79/30/348857930.db2.gz VREWAYFVMPPSLF-CQSZACIVSA-N 1 0 255.365 3.219 10 0 CGAERO CC(C)[N@@H+]1CCOCC[C@H]1c1nccc2ccccc21 ZINC000616657365 348858040 /nfs/dbraw/zinc/85/80/40/348858040.db2.gz WTGRTUZCQMFCIG-INIZCTEOSA-N 1 0 270.376 3.407 10 0 CGAERO CC(C)[N@@H+]1CCOCC[C@H]1c1cccc2cnccc21 ZINC000616657881 348858497 /nfs/dbraw/zinc/85/84/97/348858497.db2.gz YTUOZWHXJHIPDV-KRWDZBQOSA-N 1 0 270.376 3.407 10 0 CGAERO OCc1ccc([C@@H]2CC[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000616664668 348859751 /nfs/dbraw/zinc/85/97/51/348859751.db2.gz RRWQWJWTZQRSPO-IBGZPJMESA-N 1 0 297.398 3.143 10 0 CGAERO [NH3+]CCN1CC[C@@H](c2ccc(F)cc2)c2ccccc21 ZINC000616674626 348863010 /nfs/dbraw/zinc/86/30/10/348863010.db2.gz KTSVBYPVWCCBQN-HNNXBMFYSA-N 1 0 270.351 3.126 10 0 CGAERO OCC[N@@H+]1CCc2ccccc2[C@@H]1c1ccccc1Cl ZINC000616678604 348864529 /nfs/dbraw/zinc/86/45/29/348864529.db2.gz JZNCYWZNKNSVNX-QGZVFWFLSA-N 1 0 287.790 3.280 10 0 CGAERO CC(C)(C)[N@@H+]1CCc2ccccc2[C@H]1c1cn[nH]c1 ZINC000616678186 348865011 /nfs/dbraw/zinc/86/50/11/348865011.db2.gz GJONGVOAPHHPCV-OAHLLOKOSA-N 1 0 255.365 3.156 10 0 CGAERO OCC[N@@H+]1CCc2ccccc2[C@H]1c1cccc(Cl)c1 ZINC000616679399 348865144 /nfs/dbraw/zinc/86/51/44/348865144.db2.gz SCZFILAMBGSDGC-QGZVFWFLSA-N 1 0 287.790 3.280 10 0 CGAERO CCOC(=O)c1cccc([C@H]2[NH2+]CCc3ccccc32)c1 ZINC000616681078 348865713 /nfs/dbraw/zinc/86/57/13/348865713.db2.gz UJASNARZCLKLHP-QGZVFWFLSA-N 1 0 281.355 3.098 10 0 CGAERO Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCOC1)CCS2 ZINC000104303738 185960022 /nfs/dbraw/zinc/96/00/22/185960022.db2.gz CRSPCPGQXUMZJL-RISCZKNCSA-N 1 0 281.396 3.379 10 0 CGAERO Cc1ncc(C[NH2+]C2CC(c3ccccc3Cl)C2)cn1 ZINC000339587592 215261190 /nfs/dbraw/zinc/26/11/90/215261190.db2.gz OAPFSVIMCAONBY-UHFFFAOYSA-N 1 0 287.794 3.474 10 0 CGAERO C[C@@H]([NH3+])[C@@H](Oc1ccccc1CO)c1ccc(Cl)s1 ZINC000104344301 185976555 /nfs/dbraw/zinc/97/65/55/185976555.db2.gz DVRKHTVHEHZRQB-YMTOWFKASA-N 1 0 297.807 3.361 10 0 CGAERO CC[C@@H]([NH3+])Cc1cc(F)ccc1Sc1ccncn1 ZINC000104449487 186005620 /nfs/dbraw/zinc/00/56/20/186005620.db2.gz UARYNYLWPVACLA-GFCCVEGCSA-N 1 0 277.368 3.047 10 0 CGAERO CCCN(C(=O)C[C@@H](C)C(C)(C)C)[C@H]1CCC[NH2+]C1 ZINC000104448915 186006234 /nfs/dbraw/zinc/00/62/34/186006234.db2.gz AVUAYYILQHYFIK-KGLIPLIRSA-N 1 0 268.445 3.049 10 0 CGAERO [NH3+][C@@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000091691243 180227346 /nfs/dbraw/zinc/22/73/46/180227346.db2.gz ORFXGILBKAILLP-IAGOWNOFSA-N 1 0 286.806 3.267 10 0 CGAERO Cc1cccc([C@@H]2C[C@@H]([NH3+])CN(C(=O)OC(C)(C)C)C2)c1 ZINC000108199443 186208068 /nfs/dbraw/zinc/20/80/68/186208068.db2.gz ZTGLTEHQNPAFAJ-HUUCEWRRSA-N 1 0 290.407 3.047 10 0 CGAERO Cc1ccc(C[N@H+]2CCC[C@H]2c2c(C)nn(C)c2C)o1 ZINC000122749690 187049082 /nfs/dbraw/zinc/04/90/82/187049082.db2.gz JIERQDRKSNWIEB-HNNXBMFYSA-N 1 0 273.380 3.275 10 0 CGAERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2ccc(C)o2)C1 ZINC000122863927 187056677 /nfs/dbraw/zinc/05/66/77/187056677.db2.gz DTDGMWZOJDFJRG-CQSZACIVSA-N 1 0 273.380 3.184 10 0 CGAERO CC[C@](C)(O)C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000123246335 187080059 /nfs/dbraw/zinc/08/00/59/187080059.db2.gz ARLFAZZLKQOAOH-INIZCTEOSA-N 1 0 263.356 3.076 10 0 CGAERO CCOc1ccccc1[C@@H](C)NCC[C@H]1CCC[N@@H+]1C ZINC000271637667 191253644 /nfs/dbraw/zinc/25/36/44/191253644.db2.gz CCONYHVYSWMMFH-HUUCEWRRSA-N 1 0 276.424 3.220 10 0 CGAERO CCOc1ccccc1[C@@H](C)NCC[C@@H]1CCC[N@@H+]1C ZINC000271637662 191253424 /nfs/dbraw/zinc/25/34/24/191253424.db2.gz CCONYHVYSWMMFH-CABCVRRESA-N 1 0 276.424 3.220 10 0 CGAERO COc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H]2O3)c2ccccc12 ZINC000152911331 188052568 /nfs/dbraw/zinc/05/25/68/188052568.db2.gz RDJSOBFIYGRMPW-SKDZVZGDSA-N 1 0 283.371 3.258 10 0 CGAERO Cc1ccc(OCCC[N@@H+]2CCC[C@H]2CCCO)cc1C ZINC000052762218 137918537 /nfs/dbraw/zinc/91/85/37/137918537.db2.gz MJPNOPBYVKZNJF-KRWDZBQOSA-N 1 0 291.435 3.309 10 0 CGAERO [NH3+][C@H]1CCCCCC[C@@H]1c1nc(C2CCCC2)no1 ZINC000336421883 213281034 /nfs/dbraw/zinc/28/10/34/213281034.db2.gz SRXMJLZNXRXVQN-STQMWFEESA-N 1 0 263.385 3.492 10 0 CGAERO COc1cc2c(cc1OC)CCC(C[NH+]1CCCC1)=C2 ZINC000169324787 188658467 /nfs/dbraw/zinc/65/84/67/188658467.db2.gz VGUJWRQLWPROSF-UHFFFAOYSA-N 1 0 273.376 3.129 10 0 CGAERO c1coc([C@@H]2CCC[N@H+]2Cc2c[nH]nc2-c2cccnc2)c1 ZINC000093335344 138345341 /nfs/dbraw/zinc/34/53/41/138345341.db2.gz CCFFCQFKECZGGI-HNNXBMFYSA-N 1 0 294.358 3.402 10 0 CGAERO CCc1nc(C[NH2+][C@@H](C)Cc2ccc(O)cc2)cs1 ZINC000105446683 138351828 /nfs/dbraw/zinc/35/18/28/138351828.db2.gz CENQQCPEXWDVLG-NSHDSACASA-N 1 0 276.405 3.132 10 0 CGAERO CCn1cnnc1C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000105928980 138353208 /nfs/dbraw/zinc/35/32/08/138353208.db2.gz DBDJQXNLVUHMPX-CQSZACIVSA-N 1 0 284.407 3.239 10 0 CGAERO COc1ccc(CC[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)cc1 ZINC000106223327 138354295 /nfs/dbraw/zinc/35/42/95/138354295.db2.gz IKTFCCHEISFLOV-QGZVFWFLSA-N 1 0 299.418 3.080 10 0 CGAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCOc1ccccc1 ZINC000106211026 138354324 /nfs/dbraw/zinc/35/43/24/138354324.db2.gz OUYWDQPZBUJPJX-KRWDZBQOSA-N 1 0 299.418 3.253 10 0 CGAERO CC[C@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccc(Cl)cc1 ZINC000123534814 138367954 /nfs/dbraw/zinc/36/79/54/138367954.db2.gz YCMCOPBANQXLSO-BBRMVZONSA-N 1 0 296.842 3.101 10 0 CGAERO c1coc([C@@H]2CCC[N@H+]2Cc2cccc3c2OCCO3)c1 ZINC000116289095 138365650 /nfs/dbraw/zinc/36/56/50/138365650.db2.gz LCXXIOVZQDLCFS-AWEZNQCLSA-N 1 0 285.343 3.388 10 0 CGAERO Cc1ccc([C@@H]2CCCC[N@H+]2Cc2cnn(C)c2)o1 ZINC000124608120 138376262 /nfs/dbraw/zinc/37/62/62/138376262.db2.gz PGYNRGXJIONZFD-AWEZNQCLSA-N 1 0 259.353 3.049 10 0 CGAERO Cc1cnn(CC[NH2+][C@H]2CCCOc3ccc(C)cc32)c1 ZINC000123907669 138371328 /nfs/dbraw/zinc/37/13/28/138371328.db2.gz LLLRJBJRUPQCRO-INIZCTEOSA-N 1 0 285.391 3.003 10 0 CGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)C1)CC2 ZINC000124198508 138373321 /nfs/dbraw/zinc/37/33/21/138373321.db2.gz ORXVKQWNDDCLOZ-QLFBSQMISA-N 1 0 290.455 3.132 10 0 CGAERO CCc1ccc([C@@H](C)[NH2+]CC(=O)N2CCC[C@@H](C)C2)cc1 ZINC000125471309 138382797 /nfs/dbraw/zinc/38/27/97/138382797.db2.gz WYDLYRGGTQJJGR-HUUCEWRRSA-N 1 0 288.435 3.158 10 0 CGAERO CCOc1ccccc1C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128536053 138393701 /nfs/dbraw/zinc/39/37/01/138393701.db2.gz ZWCMUNPAYXOVQX-SJLPKXTDSA-N 1 0 289.419 3.212 10 0 CGAERO CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CC[C@@H](C)O2)c1 ZINC000129926170 138398775 /nfs/dbraw/zinc/39/87/75/138398775.db2.gz ZDHXZPYUPBZTKH-CZUORRHYSA-N 1 0 290.407 3.034 10 0 CGAERO Cc1ccc(NC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)cc1F ZINC000130080061 138399249 /nfs/dbraw/zinc/39/92/49/138399249.db2.gz GLRIYEKQONOPDD-MLGOLLRUSA-N 1 0 286.350 3.409 10 0 CGAERO Cc1ccccc1NC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000130097483 138399317 /nfs/dbraw/zinc/39/93/17/138399317.db2.gz BJXFMONCBWLSQN-BBRMVZONSA-N 1 0 268.360 3.270 10 0 CGAERO CCO[C@@H]1C[C@H]([NH2+]CC2CCCCC2)C12CCOCC2 ZINC000186200081 138440343 /nfs/dbraw/zinc/44/03/43/138440343.db2.gz FTSKUSSTPHKRBJ-JKSUJKDBSA-N 1 0 281.440 3.131 10 0 CGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(CC)C2)C12CCCCC2 ZINC000226812577 138500216 /nfs/dbraw/zinc/50/02/16/138500216.db2.gz LLPVXYOPMNYXMC-IXDOHACOSA-N 1 0 294.483 3.188 10 0 CGAERO CC(C)C(=[NH2+])N1CCN(c2ccccc2Cl)CC1 ZINC000062989957 535372048 /nfs/dbraw/zinc/37/20/48/535372048.db2.gz HHNWAQLUXJHHHD-UHFFFAOYSA-N 1 0 265.788 3.095 10 0 CGAERO C[C@H](c1ccccc1)[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000246392668 138533467 /nfs/dbraw/zinc/53/34/67/138533467.db2.gz BCVGURZLONLTDZ-HYVNUMGLSA-N 1 0 259.393 3.375 10 0 CGAERO Cc1cc(C[NH2+][C@@H](CN(C)C)c2ccccc2)cs1 ZINC000294850260 199213434 /nfs/dbraw/zinc/21/34/34/199213434.db2.gz UXARQINHBSSAPW-INIZCTEOSA-N 1 0 274.433 3.449 10 0 CGAERO CC(C)CC[N@@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000178900368 189153755 /nfs/dbraw/zinc/15/37/55/189153755.db2.gz FGHKZZIUGSJWQB-IUODEOHRSA-N 1 0 269.335 3.119 10 0 CGAERO C[C@@H]([NH2+][C@@H](C)COCc1ccccc1)c1ccncc1 ZINC000179389141 189190501 /nfs/dbraw/zinc/19/05/01/189190501.db2.gz SYTSINHELPKOSM-LSDHHAIUSA-N 1 0 270.376 3.338 10 0 CGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)c1cccs1)CC2 ZINC000180527871 189260452 /nfs/dbraw/zinc/26/04/52/189260452.db2.gz YDDKXYSZKNKAJE-NWDGAFQWSA-N 1 0 290.436 3.129 10 0 CGAERO CC[C@H](C)[C@@H](O)CNc1cc[nH+]c2c(C)cccc12 ZINC000301645673 201112567 /nfs/dbraw/zinc/11/25/67/201112567.db2.gz CWTJQEVRDHPQMJ-NHYWBVRUSA-N 1 0 258.365 3.362 10 0 CGAERO Cc1cccc2c(N[C@H]3CCN(C(=O)C(C)C)C3)cc[nH+]c12 ZINC000301731302 201164218 /nfs/dbraw/zinc/16/42/18/201164218.db2.gz XSTORUVRZWUZTM-AWEZNQCLSA-N 1 0 297.402 3.212 10 0 CGAERO Cc1cccc(C[NH+]2CCC(Nc3cccnn3)CC2)c1C ZINC000120297325 370756283 /nfs/dbraw/zinc/75/62/83/370756283.db2.gz BYIZAJSIWNEUMD-UHFFFAOYSA-N 1 0 296.418 3.170 10 0 CGAERO Cc1cccc2cc(C[NH2+]C3CC3)c(N3CCCC3)nc12 ZINC000012279787 368606020 /nfs/dbraw/zinc/60/60/20/368606020.db2.gz CWYFNIFUPIMSRO-UHFFFAOYSA-N 1 0 281.403 3.395 10 0 CGAERO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC000012328993 368608710 /nfs/dbraw/zinc/60/87/10/368608710.db2.gz MTQYIGHOARHUKG-OMDQHUAHSA-N 1 0 278.783 3.090 10 0 CGAERO c1nc(CCC2CC[NH+](Cc3ccccc3)CC2)c[nH]1 ZINC000013612864 368658671 /nfs/dbraw/zinc/65/86/71/368658671.db2.gz NKMDTVBCCZUNIE-UHFFFAOYSA-N 1 0 269.392 3.255 10 0 CGAERO CC1(C)[C@@H]([NH2+]C2CCC(O)CC2)C[C@H]1c1ccccc1 ZINC000122752206 370907273 /nfs/dbraw/zinc/90/72/73/370907273.db2.gz QOUQFXFGKHBGKC-GQGLESIBSA-N 1 0 273.420 3.462 10 0 CGAERO C[NH+]1CCC2(CN(c3ccccn3)c3ccccc32)CC1 ZINC000028095962 368880802 /nfs/dbraw/zinc/88/08/02/368880802.db2.gz UQPBQJAPKGLPFI-UHFFFAOYSA-N 1 0 279.387 3.197 10 0 CGAERO Cc1cc(C)c(C)c(OCc2ccccc2C(N)=[NH2+])c1 ZINC000034940051 368981733 /nfs/dbraw/zinc/98/17/33/368981733.db2.gz WTSIUFNHEJBOOE-UHFFFAOYSA-N 1 0 268.360 3.475 10 0 CGAERO COc1ccc(F)cc1[C@@H]([NH3+])c1ccc2c(c1)CCC2 ZINC000034957102 368982763 /nfs/dbraw/zinc/98/27/63/368982763.db2.gz AVFQZGXEIBVZAV-KRWDZBQOSA-N 1 0 271.335 3.371 10 0 CGAERO C[C@H]([NH2+]CCCO)c1c(Cl)ccc(F)c1Cl ZINC000035791064 369006074 /nfs/dbraw/zinc/00/60/74/369006074.db2.gz PLARZBNBULZEKK-ZETCQYMHSA-N 1 0 266.143 3.166 10 0 CGAERO Cc1ccc(C[N@@H+](C[C@@H](O)COC(C)C)C2CC2)c(C)c1 ZINC000036098954 369008336 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NUIIGKLNIULFBD-DGCLKSJQSA-N 1 0 282.790 3.320 10 0 CGAERO CCC[C@@H](C)C[NH+]1CCN(Cc2cnc(C)s2)CC1 ZINC000180080919 373964456 /nfs/dbraw/zinc/96/44/56/373964456.db2.gz PNAURJJFJRRVKE-CYBMUJFWSA-N 1 0 281.469 3.005 10 0 CGAERO COc1cc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)ccc1O ZINC000180083220 373963512 /nfs/dbraw/zinc/96/35/12/373963512.db2.gz VJXHKNFTUCLGGX-MRXNPFEDSA-N 1 0 298.386 3.441 10 0 CGAERO CCC[C@H](C)C[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000180120832 373966247 /nfs/dbraw/zinc/96/62/47/373966247.db2.gz BATUFPQJIWQBLO-BBRMVZONSA-N 1 0 278.444 3.043 10 0 CGAERO C[C@@H]([NH2+]CC(=O)N(C)C1CCC(C)CC1)c1cccs1 ZINC000180156127 373969206 /nfs/dbraw/zinc/96/92/06/373969206.db2.gz HBGNZNFILNILPH-ROKHWSDSSA-N 1 0 294.464 3.436 10 0 CGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](CC)C1CCCCC1)CC2 ZINC000180615743 374028569 /nfs/dbraw/zinc/02/85/69/374028569.db2.gz SWZLRHUVTDFCHI-CABCVRRESA-N 1 0 290.455 3.104 10 0 CGAERO COCCC[C@@H](C)[NH2+][C@H](c1nc(C2CC2)no1)C(C)C ZINC000180856445 374053080 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/nfs/dbraw/zinc/02/95/91/135029591.db2.gz MTUSEHHOAAAZLA-LSDHHAIUSA-N 1 0 276.424 3.216 10 0 CGAERO CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@H]([NH3+])C3(CCCC3)[C@H]21 ZINC000669383870 543103983 /nfs/dbraw/zinc/10/39/83/543103983.db2.gz LTZGYQWCOIRLKA-RDBSUJKOSA-N 1 0 294.439 3.294 10 0 CGAERO C[C@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1ccncc1 ZINC000020129341 397604733 /nfs/dbraw/zinc/60/47/33/397604733.db2.gz XQGFQRGQBVQTCD-YOEHRIQHSA-N 1 0 269.392 3.035 10 0 CGAERO CNC(=O)c1ccc(C[NH2+][C@H]2C[C@H](C)CC(C)(C)C2)cc1 ZINC000020093333 397604948 /nfs/dbraw/zinc/60/49/48/397604948.db2.gz UFMGVSRMXXZXBC-BBRMVZONSA-N 1 0 288.435 3.351 10 0 CGAERO CN(C(=O)C1CCC([NH3+])CC1)[C@H]1CCCc2ccccc21 ZINC000037895261 397609091 /nfs/dbraw/zinc/60/90/91/397609091.db2.gz UXWXQDZAGJENBX-DQPZFDDXSA-N 1 0 286.419 3.040 10 0 CGAERO CCN(C(=O)C1CCC([NH3+])CC1)[C@H](C)c1ccc(F)cc1 ZINC000037816039 397609131 /nfs/dbraw/zinc/60/91/31/397609131.db2.gz VUJSOIFVRXRYFT-XEBKBJJBSA-N 1 0 292.398 3.253 10 0 CGAERO FC(F)(F)c1ccccc1C[NH2+]CC[C@@H]1CCCO1 ZINC000037988580 397609967 /nfs/dbraw/zinc/60/99/67/397609967.db2.gz JQMBUQSQHZVWSO-LBPRGKRZSA-N 1 0 273.298 3.364 10 0 CGAERO CC[NH2+][C@@H]1CCc2c1ccc(Br)c2F ZINC000306563392 397678268 /nfs/dbraw/zinc/67/82/68/397678268.db2.gz PGYMSMUVYYGJRI-SNVBAGLBSA-N 1 0 258.134 3.185 10 0 CGAERO Cc1c(F)cccc1NC(=[NH2+])NCc1ccccc1 ZINC000306723380 397679130 /nfs/dbraw/zinc/67/91/30/397679130.db2.gz GYWTXDYQVZLQJG-UHFFFAOYSA-N 1 0 257.312 3.271 10 0 CGAERO CC[NH2+][C@@H](C)c1sccc1I ZINC000306799917 397679396 /nfs/dbraw/zinc/67/93/96/397679396.db2.gz HHVNTOXUDHGYAM-LURJTMIESA-N 1 0 281.162 3.023 10 0 CGAERO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)CN(C)Cc2ccccc2)CCO1 ZINC000390763039 397692317 /nfs/dbraw/zinc/69/23/17/397692317.db2.gz CBYCSFHEXWYYMN-RYQLBKOJSA-N 1 0 290.451 3.054 10 0 CGAERO [NH3+]CC1(CCNc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000395862958 397697056 /nfs/dbraw/zinc/69/70/56/397697056.db2.gz UNZBUIMAFMNBGT-UHFFFAOYSA-N 1 0 293.720 3.295 10 0 CGAERO CN1CC[C@@H]([NH3+])C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000675055791 543311607 /nfs/dbraw/zinc/31/16/07/543311607.db2.gz YESNNNGQMYZEHR-VXGBXAGGSA-N 1 0 259.180 3.087 10 0 CGAERO CC(C)(C)C1CCC([C@](O)(C[NH3+])C(F)(F)F)CC1 ZINC000675053377 543311789 /nfs/dbraw/zinc/31/17/89/543311789.db2.gz NHAREYWFOONEHK-RTYFJBAXSA-N 1 0 267.335 3.091 10 0 CGAERO CCCOc1ccc([C@H](C)[NH2+][C@H]2CN(C)C[C@@H]2C)cc1 ZINC000675789015 543364858 /nfs/dbraw/zinc/36/48/58/543364858.db2.gz QJDGNYBBXUTTNN-ZQIUZPCESA-N 1 0 276.424 3.076 10 0 CGAERO Brc1cccc(C[N@@H+]2C[C@H]3CCC[C@@H]32)c1 ZINC000676705813 543410904 /nfs/dbraw/zinc/41/09/04/543410904.db2.gz XZCKHNUVYSXYJD-YPMHNXCESA-N 1 0 266.182 3.433 10 0 CGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2CO)s1 ZINC000153717012 292247341 /nfs/dbraw/zinc/24/73/41/292247341.db2.gz MZRLSYKZDRKIFO-YNEHKIRRSA-N 1 0 253.411 3.258 10 0 CGAERO CCCCCN(CCCCC)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000042169543 286892126 /nfs/dbraw/zinc/89/21/26/286892126.db2.gz IEDSJUPOFDJFLP-HNNXBMFYSA-N 1 0 268.445 3.338 10 0 CGAERO CC(C)C[C@@H]1CCCCC[N@@H+]1Cc1nnc(C2CC2)n1C ZINC000077364394 165121631 /nfs/dbraw/zinc/12/16/31/165121631.db2.gz OZHXKGAWKAJJOJ-HNNXBMFYSA-N 1 0 290.455 3.483 10 0 CGAERO C[C@@H](NC(=O)[C@@H]1CCCCC[NH2+]1)c1cc2ccccc2o1 ZINC000081015053 165161524 /nfs/dbraw/zinc/16/15/24/165161524.db2.gz PIJMFHZXWULQFP-OCCSQVGLSA-N 1 0 286.375 3.142 10 0 CGAERO CC(C)[N@H+](CCO)Cc1ncc(-c2ccccc2Cl)o1 ZINC000085861853 165181731 /nfs/dbraw/zinc/18/17/31/165181731.db2.gz KADQKAHEIZFHSO-UHFFFAOYSA-N 1 0 294.782 3.198 10 0 CGAERO CC1(C)Cc2cccc(C[NH2+]C[C@H]3CCCC[C@H]3O)c2O1 ZINC000085970445 165182641 /nfs/dbraw/zinc/18/26/41/165182641.db2.gz RVBCLTMPHRPUTQ-GDBMZVCRSA-N 1 0 289.419 3.041 10 0 CGAERO COc1ccc([C@H]([NH2+]CC(C)(C)OC)C2CC2)cc1 ZINC000091370614 165261083 /nfs/dbraw/zinc/26/10/83/165261083.db2.gz KINLWVPBFFHSDY-OAHLLOKOSA-N 1 0 263.381 3.161 10 0 CGAERO C[NH2+]Cc1cccc(NC(=O)[C@H]2CSc3ccccc32)c1 ZINC000092239129 165287178 /nfs/dbraw/zinc/28/71/78/165287178.db2.gz UPCCWQWQSXQYJB-HNNXBMFYSA-N 1 0 298.411 3.234 10 0 CGAERO CC[C@H]([NH2+]CC1CC(O)C1)c1cccc(Br)c1 ZINC000091424262 287107967 /nfs/dbraw/zinc/10/79/67/287107967.db2.gz FTMDGNGKPDSJMP-DBRPNBKGSA-N 1 0 298.224 3.261 10 0 CGAERO COCC[NH2+]C1c2ccccc2CCc2ccccc21 ZINC000179972327 165645974 /nfs/dbraw/zinc/64/59/74/165645974.db2.gz NSOIHTOSEZMBMN-UHFFFAOYSA-N 1 0 267.372 3.111 10 0 CGAERO C[C@@H](c1ccc(Cl)cc1Cl)N1CC[NH2+][C@H](C)C1 ZINC000083536356 287134369 /nfs/dbraw/zinc/13/43/69/287134369.db2.gz YMYWYGDXADXECT-ZJUUUORDSA-N 1 0 273.207 3.348 10 0 CGAERO CCOC(C[N@H+]1CC=C(c2cccs2)CC1)OCC ZINC000184972549 165744132 /nfs/dbraw/zinc/74/41/32/165744132.db2.gz DEMGPVKANQENQI-UHFFFAOYSA-N 1 0 281.421 3.236 10 0 CGAERO Cc1ccc([C@H](C)NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])cc1F ZINC000261659331 165824867 /nfs/dbraw/zinc/82/48/67/165824867.db2.gz KKQNPSUDDHTOON-DUVNUKRYSA-N 1 0 292.398 3.219 10 0 CGAERO Cc1ccc(C[NH2+][C@H]2C[C@@H]2C)c(Br)c1 ZINC000119073329 287164588 /nfs/dbraw/zinc/16/45/88/287164588.db2.gz FLFOQYQKMUDURZ-CABZTGNLSA-N 1 0 254.171 3.256 10 0 CGAERO COc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccccc1C ZINC000120505845 287182891 /nfs/dbraw/zinc/18/28/91/287182891.db2.gz VWKZFFQVLIJNHL-AWEZNQCLSA-N 1 0 298.386 3.293 10 0 CGAERO C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000120557822 287183771 /nfs/dbraw/zinc/18/37/71/287183771.db2.gz HNROMOQBDAHIHM-INWMFGNUSA-N 1 0 281.827 3.412 10 0 CGAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]C[C@H](O)C(F)(F)F ZINC000121958739 287204847 /nfs/dbraw/zinc/20/48/47/287204847.db2.gz IXHBNSGFRKUQOZ-QWHCGFSZSA-N 1 0 287.325 3.213 10 0 CGAERO CC(C)(C)[C@@H]([NH3+])C(O)(c1ccccc1)c1ccccc1 ZINC000005019738 170056487 /nfs/dbraw/zinc/05/64/87/170056487.db2.gz HZIHDWNOPKIOCK-MRXNPFEDSA-N 1 0 269.388 3.296 10 0 CGAERO COc1ccc([C@@H]2CC[C@@H]3CCCC[N@@H+]3C2)cc1OC ZINC000006018649 170168429 /nfs/dbraw/zinc/16/84/29/170168429.db2.gz WWZYSFVVLXIGSX-CABCVRRESA-N 1 0 275.392 3.436 10 0 CGAERO COc1ccccc1C[C@H]([NH3+])Cc1ccc(C)cc1 ZINC000011600409 170425479 /nfs/dbraw/zinc/42/54/79/170425479.db2.gz WWXCFBBUFQYGKI-MRXNPFEDSA-N 1 0 255.361 3.116 10 0 CGAERO c1ccc(Sc2cncc(N3CCC[NH2+]CC3)c2)cc1 ZINC000013703944 170580535 /nfs/dbraw/zinc/58/05/35/170580535.db2.gz BZPZCQLLIGBWBF-UHFFFAOYSA-N 1 0 285.416 3.033 10 0 CGAERO CC[NH2+]CCCNCc1ccc(Cl)c(Cl)c1 ZINC000013735184 170584300 /nfs/dbraw/zinc/58/43/00/170584300.db2.gz PTGNDCGXYKMUEI-UHFFFAOYSA-N 1 0 261.196 3.083 10 0 CGAERO COc1ccc([C@H]([NH3+])CO[C@@H]2CCCC[C@@H]2C)c(OC)c1 ZINC000019272234 170767872 /nfs/dbraw/zinc/76/78/72/170767872.db2.gz KSTPRNNIISDIKJ-APHBMKBZSA-N 1 0 293.407 3.299 10 0 CGAERO Cc1ccccc1NC(=O)COc1ccc([C@H](C)[NH3+])cc1 ZINC000019281480 170771873 /nfs/dbraw/zinc/77/18/73/170771873.db2.gz UNGBKDBVZUKMSJ-ZDUSSCGKSA-N 1 0 284.359 3.032 10 0 CGAERO COc1ccc2c(c1)CC[C@@H](Oc1ccccc1F)[C@@H]2[NH3+] ZINC000019407059 170787779 /nfs/dbraw/zinc/78/77/79/170787779.db2.gz NAPFZBZHHLBXOP-IAGOWNOFSA-N 1 0 287.334 3.228 10 0 CGAERO COc1ccc([C@H]([NH3+])Cc2cccc(F)c2)cc1OC ZINC000019415465 170791519 /nfs/dbraw/zinc/79/15/19/170791519.db2.gz UOONFFWIAZSHBS-CQSZACIVSA-N 1 0 275.323 3.085 10 0 CGAERO [NH3+][C@H](CC(=O)NCc1ccccc1Cl)c1ccccc1 ZINC000019512327 170820783 /nfs/dbraw/zinc/82/07/83/170820783.db2.gz BJNOBBXFJVEWRJ-OAHLLOKOSA-N 1 0 288.778 3.046 10 0 CGAERO COc1cc(C)ccc1O[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000019671553 170835990 /nfs/dbraw/zinc/83/59/90/170835990.db2.gz TYXWRNYZDRJFSR-INIZCTEOSA-N 1 0 275.323 3.222 10 0 CGAERO Cc1c(C)c(C)c(C(=O)[C@@H]2CCC[NH2+]C2)c(C)c1C ZINC000019803923 170873577 /nfs/dbraw/zinc/87/35/77/170873577.db2.gz QCXCKHZWOXFFKS-OAHLLOKOSA-N 1 0 259.393 3.411 10 0 CGAERO Cc1ccc(Sc2ccc(C(N)=[NH2+])cn2)cc1C ZINC000019863477 170898637 /nfs/dbraw/zinc/89/86/37/170898637.db2.gz VHUNYZRFJHRLPR-UHFFFAOYSA-N 1 0 257.362 3.134 10 0 CGAERO COc1cccc([C@@H](C[NH2+][C@@H]2CCCC[C@@H]2C)N(C)C)c1 ZINC000019903757 170915502 /nfs/dbraw/zinc/91/55/02/170915502.db2.gz ZXOYXQIZWMZPTD-BMGDILEWSA-N 1 0 290.451 3.466 10 0 CGAERO C[C@H]([NH2+][C@@H]1CN2CCC1CC2)c1cc2ccccc2o1 ZINC000019948080 170938002 /nfs/dbraw/zinc/93/80/02/170938002.db2.gz JTXBEJVWBZELEI-SWLSCSKDSA-N 1 0 270.376 3.178 10 0 CGAERO [NH3+][C@@H](Cc1cccc(F)c1)c1cc(F)ccc1F ZINC000019969515 170952245 /nfs/dbraw/zinc/95/22/45/170952245.db2.gz UDPADFYFGIQXCO-AWEZNQCLSA-N 1 0 251.251 3.346 10 0 CGAERO C[C@@H]([NH2+]Cc1cccc2cccnc21)c1ccncc1 ZINC000020121682 171001144 /nfs/dbraw/zinc/00/11/44/171001144.db2.gz NUNXLAPMBQPTCK-CYBMUJFWSA-N 1 0 263.344 3.481 10 0 CGAERO C[NH+](C)C[C@@H](NCc1c(F)cccc1F)c1ccccc1 ZINC000020129256 171016965 /nfs/dbraw/zinc/01/69/65/171016965.db2.gz JSYSLGAMEBUMQG-QGZVFWFLSA-N 1 0 290.357 3.357 10 0 CGAERO COc1cc(C[NH2+]C[C@H](C)c2ccccc2)ccc1O ZINC000020136949 171024520 /nfs/dbraw/zinc/02/45/20/171024520.db2.gz KYTLHBOJCMXESU-ZDUSSCGKSA-N 1 0 271.360 3.294 10 0 CGAERO [NH3+]Cc1scnc1-c1ccc(Br)cc1 ZINC000020184514 171047346 /nfs/dbraw/zinc/04/73/46/171047346.db2.gz JPJAZSWWLZSAMH-UHFFFAOYSA-N 1 0 269.167 3.031 10 0 CGAERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)[C@@H]1CCCO1 ZINC000020207258 171071696 /nfs/dbraw/zinc/07/16/96/171071696.db2.gz APCTZEWEBWWIBY-RBZYPMLTSA-N 1 0 255.308 3.183 10 0 CGAERO CN(Cc1ccccc1Cl)[C@@H](C[NH3+])c1ccco1 ZINC000020225252 171087550 /nfs/dbraw/zinc/08/75/50/171087550.db2.gz AWQZOTNJGZNYGW-ZDUSSCGKSA-N 1 0 264.756 3.065 10 0 CGAERO CN(Cc1ccc(F)cc1)[C@@H](C[NH3+])c1ccccc1F ZINC000020225604 171089068 /nfs/dbraw/zinc/08/90/68/171089068.db2.gz ZGXXRLGXRXALST-INIZCTEOSA-N 1 0 276.330 3.097 10 0 CGAERO [NH3+]C[C@@H](c1ccccc1F)N1CCCCCCC1 ZINC000020265390 171122927 /nfs/dbraw/zinc/12/29/27/171122927.db2.gz UYGZYTYBFOMHSS-HNNXBMFYSA-N 1 0 250.361 3.092 10 0 CGAERO [NH3+]C[C@@H](c1c(F)cccc1F)N1CCCCCCC1 ZINC000020265195 171122936 /nfs/dbraw/zinc/12/29/36/171122936.db2.gz AGGRRNNQYNVJEN-AWEZNQCLSA-N 1 0 268.351 3.231 10 0 CGAERO CCc1ccc(C[NH2+]Cc2cnn(CC)c2C)cc1 ZINC000020349240 171155592 /nfs/dbraw/zinc/15/55/92/171155592.db2.gz VBWVTPBUCYZPNN-UHFFFAOYSA-N 1 0 257.381 3.064 10 0 CGAERO [NH3+]Cc1cn(-c2ccc(F)cc2)nc1-c1ccc(F)cc1 ZINC000020390831 171179369 /nfs/dbraw/zinc/17/93/69/171179369.db2.gz HQJYRDBJADLQAP-UHFFFAOYSA-N 1 0 285.297 3.276 10 0 CGAERO CCC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc([C@@H]([NH3+])CC)cc1 ZINC000020419537 171184263 /nfs/dbraw/zinc/18/42/63/171184263.db2.gz KRQQUJMMISTEOE-IOASZLSFSA-N 1 0 292.423 3.169 10 0 CGAERO COc1cc(OC)cc([C@H]([NH3+])c2cc(C)sc2C)c1 ZINC000020431487 171196173 /nfs/dbraw/zinc/19/61/73/171196173.db2.gz PKHLHHHISZTMMI-HNNXBMFYSA-N 1 0 277.389 3.430 10 0 CGAERO CCCOc1ccc(Oc2ccc(C[NH3+])cn2)cc1 ZINC000020473846 171217969 /nfs/dbraw/zinc/21/79/69/171217969.db2.gz JKQZQKLBTMURPJ-UHFFFAOYSA-N 1 0 258.321 3.121 10 0 CGAERO CCOc1ccc(C[NH2+]CCN(CC)CC)cc1Cl ZINC000020477588 171220909 /nfs/dbraw/zinc/22/09/09/171220909.db2.gz BPSVTMBWOWFGHJ-UHFFFAOYSA-N 1 0 284.831 3.170 10 0 CGAERO Cc1ccc([C@@H]([NH3+])c2cncc(Br)c2)cc1 ZINC000020480886 171221893 /nfs/dbraw/zinc/22/18/93/171221893.db2.gz JYEKDQHIWSUHMZ-CYBMUJFWSA-N 1 0 277.165 3.201 10 0 CGAERO O=C(Nc1c(Cl)cc(Cl)cc1Cl)[C@H]1CCC[NH2+]1 ZINC000020505444 171228232 /nfs/dbraw/zinc/22/82/32/171228232.db2.gz RLAWYSLBTRZUIS-SECBINFHSA-N 1 0 293.581 3.337 10 0 CGAERO CCCOc1ccc([C@H]([NH3+])COC(C)(C)C)cc1 ZINC000020510569 171230330 /nfs/dbraw/zinc/23/03/30/171230330.db2.gz WCSAXLWYNUSSDC-CQSZACIVSA-N 1 0 251.370 3.290 10 0 CGAERO CC(C)Oc1ccc([C@H]([NH3+])COC(C)(C)C)cc1 ZINC000020510898 171230560 /nfs/dbraw/zinc/23/05/60/171230560.db2.gz VJUQGFVZNWYIDH-CQSZACIVSA-N 1 0 251.370 3.289 10 0 CGAERO CCOc1ccccc1[C@H]([NH3+])COC(C)(C)CC ZINC000020511924 171230932 /nfs/dbraw/zinc/23/09/32/171230932.db2.gz SGOBXVXHLYSQFK-CYBMUJFWSA-N 1 0 251.370 3.290 10 0 CGAERO CCc1ccc([C@H]([NH3+])CN(C)c2ccccc2)cc1 ZINC000020553054 171248321 /nfs/dbraw/zinc/24/83/21/171248321.db2.gz FWZYQIXNVNUAAA-QGZVFWFLSA-N 1 0 254.377 3.385 10 0 CGAERO CCCCOc1ccc(C[NH2+]CCN(CC)CC)cc1 ZINC000021506815 171308154 /nfs/dbraw/zinc/30/81/54/171308154.db2.gz HARBDVCGWPWWFV-UHFFFAOYSA-N 1 0 278.440 3.297 10 0 CGAERO CC1CC[NH+]([C@@]2(CN)C[C@H](C)CC(C)(C)C2)CC1 ZINC000021513797 171311208 /nfs/dbraw/zinc/31/12/08/171311208.db2.gz BQOZWJBHZMJZLL-ZBFHGGJFSA-N 1 0 252.446 3.262 10 0 CGAERO C[C@@H]1CC(C)(C)C[C@](CN)([NH+]2CCCCCC2)C1 ZINC000021517736 171314135 /nfs/dbraw/zinc/31/41/35/171314135.db2.gz IAHWNDIHHORADU-GDBMZVCRSA-N 1 0 252.446 3.406 10 0 CGAERO [NH2+]=C1c2ccccc2CN1CCc1ccccc1F ZINC000021794445 171324876 /nfs/dbraw/zinc/32/48/76/171324876.db2.gz YMHMSOXMHLXIFH-UHFFFAOYSA-N 1 0 254.308 3.209 10 0 CGAERO CC/C=C/C[P@](=O)(C[NH3+])OCc1ccccc1 ZINC000021993453 171346835 /nfs/dbraw/zinc/34/68/35/171346835.db2.gz WSIMRXBYIYPIFV-OPQSBORISA-N 1 0 253.282 3.364 10 0 CGAERO C[C@@H]1CCCC[N@@H+]1[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1N ZINC000022148963 171357738 /nfs/dbraw/zinc/35/77/38/171357738.db2.gz XLGPWVPGKUKMGL-CBBWQLFWSA-N 1 0 252.446 3.403 10 0 CGAERO C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc(Cl)ccc1N ZINC000022152277 171359498 /nfs/dbraw/zinc/35/94/98/171359498.db2.gz MKJUEFSEWLFEQM-LLVKDONJSA-N 1 0 295.814 3.125 10 0 CGAERO C[C@@H](C(=O)Nc1ccc(Cl)c(N)c1)[NH+]1CCCCCC1 ZINC000022154592 171361289 /nfs/dbraw/zinc/36/12/89/171361289.db2.gz XQDIASSADIZUKY-NSHDSACASA-N 1 0 295.814 3.125 10 0 CGAERO CCCN(CCC)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000022174980 171369669 /nfs/dbraw/zinc/36/96/69/171369669.db2.gz QIEJOZBKBFXDHG-JTQLQIEISA-N 1 0 289.217 3.164 10 0 CGAERO C[C@H]([NH3+])c1cccc(NC(=O)c2ccccc2F)c1 ZINC000022176632 171371180 /nfs/dbraw/zinc/37/11/80/171371180.db2.gz ZAPFREWEYQPZGG-JTQLQIEISA-N 1 0 258.296 3.098 10 0 CGAERO NC[C@H](c1ccc(-c2ccccc2)cc1)[NH+]1CCCC1 ZINC000022178400 171371510 /nfs/dbraw/zinc/37/15/10/171371510.db2.gz HEBOYMFCKIRWAL-GOSISDBHSA-N 1 0 266.388 3.449 10 0 CGAERO C[C@H]([NH3+])c1ccccc1NC(=O)Cc1ccccc1F ZINC000022221052 171377906 /nfs/dbraw/zinc/37/79/06/171377906.db2.gz NPUDKAQNOCQWPF-NSHDSACASA-N 1 0 272.323 3.027 10 0 CGAERO COc1ccccc1OC[C@@H]([NH3+])c1ccc(C)cc1 ZINC000023065987 171407329 /nfs/dbraw/zinc/40/73/29/171407329.db2.gz SDEYCCGPRNFPRJ-CQSZACIVSA-N 1 0 257.333 3.082 10 0 CGAERO CCCSc1ccc(C(F)(F)F)cc1C(N)=[NH2+] ZINC000034974573 171909463 /nfs/dbraw/zinc/90/94/63/171909463.db2.gz XLPLIBNKGGBTOK-UHFFFAOYSA-N 1 0 262.300 3.492 10 0 CGAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC000035221886 172064566 /nfs/dbraw/zinc/06/45/66/172064566.db2.gz AMRSQKYQOKONMJ-XJKSGUPXSA-N 1 0 288.435 3.347 10 0 CGAERO COc1cc(C[NH2+][C@@H](C)Cc2cccs2)ccc1O ZINC000035253919 172083432 /nfs/dbraw/zinc/08/34/32/172083432.db2.gz SOHWNNGOKQZHBP-NSHDSACASA-N 1 0 277.389 3.183 10 0 CGAERO Cc1ccc(C)c(Oc2nc3sccn3c2C[NH3+])c1 ZINC000035430610 172198857 /nfs/dbraw/zinc/19/88/57/172198857.db2.gz MMPQJXORQLUYBI-UHFFFAOYSA-N 1 0 273.361 3.264 10 0 CGAERO CCC[C@@H](C)[C@H]([NH2+]C)c1cc(OC)ccc1OC ZINC000035466665 172214729 /nfs/dbraw/zinc/21/47/29/172214729.db2.gz SZBXUMBHXBIRES-ABAIWWIYSA-N 1 0 251.370 3.401 10 0 CGAERO C[NH2+][C@H](c1ccc2c(c1)CCO2)c1cccc(C)c1 ZINC000035467915 172216916 /nfs/dbraw/zinc/21/69/16/172216916.db2.gz HRFXCOMSPHGGQM-KRWDZBQOSA-N 1 0 253.345 3.239 10 0 CGAERO CCCCC[C@H]([NH2+]C)c1ccc2c(c1)CCC(=O)N2 ZINC000035490434 172224659 /nfs/dbraw/zinc/22/46/59/172224659.db2.gz LBZZMZLZOSWJJF-AWEZNQCLSA-N 1 0 260.381 3.412 10 0 CGAERO C[NH2+][C@@H](c1cnn(C)c1)c1ccc(Cl)c(Cl)c1 ZINC000035500255 172234315 /nfs/dbraw/zinc/23/43/15/172234315.db2.gz KYHNFYGJICMNIZ-GFCCVEGCSA-N 1 0 270.163 3.036 10 0 CGAERO C[NH2+][C@H](CC(C)C)c1cc2c(cc1Cl)NC(=O)C2 ZINC000035507302 172240233 /nfs/dbraw/zinc/24/02/33/172240233.db2.gz DKWNKKWTHSNALR-CYBMUJFWSA-N 1 0 266.772 3.141 10 0 CGAERO CC[NH2+][C@@H](c1cnn(C)c1)c1cccc(Cl)c1Cl ZINC000035556173 172262018 /nfs/dbraw/zinc/26/20/18/172262018.db2.gz IRZUWBIJBUPRJU-ZDUSSCGKSA-N 1 0 284.190 3.426 10 0 CGAERO CC[NH2+][C@H](c1ccc2c(c1)CCCC(=O)N2)C(C)C ZINC000035569883 172265251 /nfs/dbraw/zinc/26/52/51/172265251.db2.gz VUGQVHDRUOXZLB-INIZCTEOSA-N 1 0 260.381 3.268 10 0 CGAERO CC[NH2+][C@@H](c1cc2c(cc1Cl)NC(=O)C2)[C@H]1C[C@@H]1C ZINC000035572020 172268128 /nfs/dbraw/zinc/26/81/28/172268128.db2.gz DDWDZNTYEBGILV-KPWYMIHSSA-N 1 0 278.783 3.141 10 0 CGAERO CCC[NH2+][C@H](c1c(F)cc(F)cc1F)[C@H]1CCCO1 ZINC000035580914 172276318 /nfs/dbraw/zinc/27/63/18/172276318.db2.gz LYHPVRLRPOBUMX-OCCSQVGLSA-N 1 0 273.298 3.324 10 0 CGAERO C[NH2+][C@H]1CCOc2c(Br)cc(Cl)cc21 ZINC000035655114 172331486 /nfs/dbraw/zinc/33/14/86/172331486.db2.gz XUYZRCTXPIMNTH-VIFPVBQESA-N 1 0 276.561 3.146 10 0 CGAERO C[NH2+][C@@H](C)c1c(F)cccc1N(C)Cc1ccco1 ZINC000035702202 172370444 /nfs/dbraw/zinc/37/04/44/172370444.db2.gz AAMQJYAOBBYLLR-NSHDSACASA-N 1 0 262.328 3.336 10 0 CGAERO [NH3+]Cc1ccc(Oc2cccc(Br)c2)nc1 ZINC000035719816 172373684 /nfs/dbraw/zinc/37/36/84/172373684.db2.gz KCXHZIXKGJIVFN-UHFFFAOYSA-N 1 0 279.137 3.095 10 0 CGAERO [NH3+]Cc1ccc(Sc2nc3ccccc3s2)nc1 ZINC000035719984 172374686 /nfs/dbraw/zinc/37/46/86/172374686.db2.gz ZGDSLBFXUNTXGL-UHFFFAOYSA-N 1 0 273.386 3.301 10 0 CGAERO Fc1ccccc1C1CC([NH2+]Cc2ccncc2)C1 ZINC000036843848 172747022 /nfs/dbraw/zinc/74/70/22/172747022.db2.gz JEWBUGICFSKWRG-UHFFFAOYSA-N 1 0 256.324 3.257 10 0 CGAERO C[NH+](C)CC(C)(C)Cn1c2ccc(F)cc2[nH]c1=S ZINC000036890811 172784575 /nfs/dbraw/zinc/78/45/75/172784575.db2.gz QDRAMSPDYNJUAA-UHFFFAOYSA-N 1 0 281.400 3.426 10 0 CGAERO [NH3+]C[C@H](Oc1cc(Cl)cc(Cl)c1)C(F)(F)F ZINC000037170203 173004112 /nfs/dbraw/zinc/00/41/12/173004112.db2.gz GOCWKCSOGWZGHN-QMMMGPOBSA-N 1 0 274.069 3.262 10 0 CGAERO [NH3+]CC[C@H](Oc1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC000037179497 173013179 /nfs/dbraw/zinc/01/31/79/173013179.db2.gz WZKZCEBKCVIUCR-VIFPVBQESA-N 1 0 287.203 3.364 10 0 CGAERO Clc1cccc2nc(N[C@@H]3C[NH+]4CCC3CC4)sc21 ZINC000037206660 173027174 /nfs/dbraw/zinc/02/71/74/173027174.db2.gz OROHFSTWYQBFEL-GFCCVEGCSA-N 1 0 293.823 3.456 10 0 CGAERO COC(=O)c1ccccc1C[NH2+][C@H]1CCCC[C@H]1C ZINC000037211369 173032967 /nfs/dbraw/zinc/03/29/67/173032967.db2.gz LTEFMTPBYPPOIT-DOMZBBRYSA-N 1 0 261.365 3.142 10 0 CGAERO CC[C@@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccccc1OC ZINC000037242288 173058362 /nfs/dbraw/zinc/05/83/62/173058362.db2.gz UMCYEFAGYKVGPE-CFVMTHIKSA-N 1 0 263.381 3.303 10 0 CGAERO C[N@H+](CC(=O)c1ccc(O)cc1)C1CCCCCC1 ZINC000037340254 173142247 /nfs/dbraw/zinc/14/22/47/173142247.db2.gz BKGSLSYJNUHVLR-UHFFFAOYSA-N 1 0 261.365 3.230 10 0 CGAERO COC(=O)CCC[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000037416610 173193902 /nfs/dbraw/zinc/19/39/02/173193902.db2.gz DPSNQOOOPJEHTK-LBPRGKRZSA-N 1 0 299.823 3.420 10 0 CGAERO CCCn1c2ccc(C)cc2nc1C1CC[NH2+]CC1 ZINC000037438348 173209044 /nfs/dbraw/zinc/20/90/44/173209044.db2.gz TYCRDEIGYWOVIM-UHFFFAOYSA-N 1 0 257.381 3.222 10 0 CGAERO CC(C)n1c(C[NH2+]CC2CC2)nc2c1cccc2F ZINC000037442840 173212004 /nfs/dbraw/zinc/21/20/04/173212004.db2.gz UMZUMZAUPUGQOD-UHFFFAOYSA-N 1 0 261.344 3.256 10 0 CGAERO C[NH2+][C@@H](Cc1ccccc1Br)C[C@@H]1CCCO1 ZINC000037535097 173254560 /nfs/dbraw/zinc/25/45/60/173254560.db2.gz AXJWLYSXKFRLMS-STQMWFEESA-N 1 0 298.224 3.149 10 0 CGAERO C[NH2+][C@H](Cc1ccccc1Br)c1cccnc1 ZINC000037534574 173254666 /nfs/dbraw/zinc/25/46/66/173254666.db2.gz OOSQARHFQDJZLM-CQSZACIVSA-N 1 0 291.192 3.347 10 0 CGAERO CC[C@H]([NH3+])Cc1cc(Cl)c(OCC2CC2)c(OC)c1 ZINC000037723154 173641658 /nfs/dbraw/zinc/64/16/58/173641658.db2.gz DCZUTYPJEODXOT-LBPRGKRZSA-N 1 0 283.799 3.417 10 0 CGAERO CCCCOc1ccc(C[C@@H]([NH3+])CC)cc1OC ZINC000037727289 173646127 /nfs/dbraw/zinc/64/61/27/173646127.db2.gz ORIZQWAKYVFWHE-ZDUSSCGKSA-N 1 0 251.370 3.154 10 0 CGAERO O[C@@H](C[NH2+]Cc1ccc(Cl)cc1)c1cccs1 ZINC000037862280 173812253 /nfs/dbraw/zinc/81/22/53/173812253.db2.gz BBUHBKIMISZKFJ-LBPRGKRZSA-N 1 0 267.781 3.225 10 0 CGAERO C[NH2+][C@H](c1c(F)cc(OC)cc1F)C1CCCC1 ZINC000037903487 173835413 /nfs/dbraw/zinc/83/54/13/173835413.db2.gz LZXNPQCXYDDIHC-AWEZNQCLSA-N 1 0 255.308 3.424 10 0 CGAERO C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1cc[nH]n1 ZINC000037907942 173840665 /nfs/dbraw/zinc/84/06/65/173840665.db2.gz WRGYMTXJBNAEDO-XNWIYYODSA-N 1 0 261.291 3.181 10 0 CGAERO COc1ccc(Cl)cc1CNc1c[nH+]ccc1N(C)C ZINC000038051540 174063036 /nfs/dbraw/zinc/06/30/36/174063036.db2.gz QEENJNGLYFNAIG-UHFFFAOYSA-N 1 0 291.782 3.422 10 0 CGAERO C[NH2+][C@H](CC(F)(F)F)c1ccc2c(c1)CCCO2 ZINC000038057933 174068114 /nfs/dbraw/zinc/06/81/14/174068114.db2.gz VFHNQGXLCJZGJS-LLVKDONJSA-N 1 0 259.271 3.225 10 0 CGAERO C[NH2+]Cc1cc(-c2ccc(OC)cc2)ccc1OC ZINC000038070988 174081770 /nfs/dbraw/zinc/08/17/70/174081770.db2.gz UZIKESPIYLSKOH-UHFFFAOYSA-N 1 0 257.333 3.090 10 0 CGAERO C[C@@H]1Cc2cc(-c3cc(C[NH3+])ccc3F)ccc2O1 ZINC000038073552 174083981 /nfs/dbraw/zinc/08/39/81/174083981.db2.gz YMEAXTYIQWQQBX-SNVBAGLBSA-N 1 0 257.308 3.275 10 0 CGAERO CCSc1ccccc1NC(=O)CC1CC[NH2+]CC1 ZINC000038075635 174085698 /nfs/dbraw/zinc/08/56/98/174085698.db2.gz LRSHLXFRHWHHMV-UHFFFAOYSA-N 1 0 278.421 3.127 10 0 CGAERO C[C@@H](c1cc(F)c(Cl)cc1Cl)N1CC[NH2+]CC1 ZINC000038086771 174097674 /nfs/dbraw/zinc/09/76/74/174097674.db2.gz FHJIULYWHMGWBO-QMMMGPOBSA-N 1 0 277.170 3.099 10 0 CGAERO C[C@@H]([NH2+]C[C@H](C)N(C)C)C12CC3CC(CC(C3)C1)C2 ZINC000038088581 174101402 /nfs/dbraw/zinc/10/14/02/174101402.db2.gz PUYJKZTYABVMQZ-XOMSLVIASA-N 1 0 264.457 3.131 10 0 CGAERO [NH3+][C@H]1CN(Cc2ccccc2)c2ccc(Cl)cc21 ZINC000039941586 174175463 /nfs/dbraw/zinc/17/54/63/174175463.db2.gz APMIEMZYYXHPSY-AWEZNQCLSA-N 1 0 258.752 3.360 10 0 CGAERO C[C@@H]1CCC[C@H](OC[C@H]([NH3+])c2ccc(F)cc2)C1 ZINC000040176554 174201415 /nfs/dbraw/zinc/20/14/15/174201415.db2.gz UTUZQKHLGYYBBE-UGFHNGPFSA-N 1 0 251.345 3.421 10 0 CGAERO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000040177377 174202208 /nfs/dbraw/zinc/20/22/08/174202208.db2.gz HPGLGCXNLCKQEN-DERJNBNXSA-N 1 0 280.456 3.094 10 0 CGAERO [NH3+]CCCc1csc(-c2cccc(Br)c2)n1 ZINC000041496543 174562199 /nfs/dbraw/zinc/56/21/99/174562199.db2.gz HWAATHMCZCXFGB-UHFFFAOYSA-N 1 0 297.221 3.464 10 0 CGAERO CCN(CC[NH2+]C(C)C)Cc1ccccc1Cl ZINC000042387119 174704803 /nfs/dbraw/zinc/70/48/03/174704803.db2.gz RRBIMOABLQJSDN-UHFFFAOYSA-N 1 0 254.805 3.160 10 0 CGAERO CC(C)[NH2+]CCSc1nc2ccccc2s1 ZINC000042407984 174713215 /nfs/dbraw/zinc/71/32/15/174713215.db2.gz NEUKUYCZYQNJNJ-UHFFFAOYSA-N 1 0 252.408 3.386 10 0 CGAERO C[C@H](N(C)C(=O)Nc1ccc(C[NH3+])cc1)C(C)(C)C ZINC000042782537 174878384 /nfs/dbraw/zinc/87/83/84/174878384.db2.gz CACYEZQDTAKTBU-NSHDSACASA-N 1 0 263.385 3.044 10 0 CGAERO C[C@@H]([NH3+])[C@H](c1ccccc1)N(CC(F)(F)F)C1CC1 ZINC000042902668 174906947 /nfs/dbraw/zinc/90/69/47/174906947.db2.gz KOUCTODMRXMGBB-ZWNOBZJWSA-N 1 0 272.314 3.102 10 0 CGAERO CC[C@@H]([NH3+])[C@H](Sc1nccn1C)c1ccc(F)cc1 ZINC000042942905 174918634 /nfs/dbraw/zinc/91/86/34/174918634.db2.gz GGZKXFKBJQTFSQ-CHWSQXEVSA-N 1 0 279.384 3.130 10 0 CGAERO CC[C@H]([NH3+])[C@@H](SCCOC)c1ccc(C)cc1 ZINC000042943675 174918927 /nfs/dbraw/zinc/91/89/27/174918927.db2.gz AVNCELHYPFJIKP-KBPBESRZSA-N 1 0 253.411 3.153 10 0 CGAERO Cc1nn([C@@H](C[NH3+])c2cccc(Cl)c2)c(C)c1C ZINC000043016856 174943684 /nfs/dbraw/zinc/94/36/84/174943684.db2.gz DLNFXXFMUXZCKM-AWEZNQCLSA-N 1 0 263.772 3.010 10 0 CGAERO CCOC(=O)CS[C@H](c1ccccc1C)[C@H]([NH3+])CC ZINC000043041749 174953739 /nfs/dbraw/zinc/95/37/39/174953739.db2.gz BGUONRPLYIAXJJ-UKRRQHHQSA-N 1 0 281.421 3.070 10 0 CGAERO C[C@@H]([NH3+])[C@@H](c1ccccc1Cl)N(C)[C@@H]1CCSC1 ZINC000043051329 174959524 /nfs/dbraw/zinc/95/95/24/174959524.db2.gz CSHFHMLPJUPXRQ-GYSYKLTISA-N 1 0 284.856 3.166 10 0 CGAERO COc1ccccc1[C@H](C[NH3+])O[C@@H](C)CC(C)C ZINC000043099613 174967174 /nfs/dbraw/zinc/96/71/74/174967174.db2.gz FXARRBWIFRDBAO-WFASDCNBSA-N 1 0 251.370 3.146 10 0 CGAERO Cc1ccc([C@@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000043501841 175058652 /nfs/dbraw/zinc/05/86/52/175058652.db2.gz PPGMHDZURYWQNL-AHIWAGSCSA-N 1 0 261.409 3.315 10 0 CGAERO CC[C@H](Cc1cc(Br)cs1)[C@@H](C)[NH3+] ZINC000043688072 175095108 /nfs/dbraw/zinc/09/51/08/175095108.db2.gz JNXUPOYHTWOEJO-HTQZYQBOSA-N 1 0 262.216 3.427 10 0 CGAERO CCCCOCCC[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000128045518 287302139 /nfs/dbraw/zinc/30/21/39/287302139.db2.gz NFCNHGFRQHBIKG-ZDUSSCGKSA-N 1 0 281.444 3.377 10 0 CGAERO C[C@H]1CCC[C@](CNc2ncccc2F)([NH+](C)C)C1 ZINC000054700724 175562880 /nfs/dbraw/zinc/56/28/80/175562880.db2.gz YMLFRXNBUQUAHS-WFASDCNBSA-N 1 0 265.376 3.143 10 0 CGAERO Brc1cccc2c1CC[NH2+][C@H]2C1CC1 ZINC000070821316 176007238 /nfs/dbraw/zinc/00/72/38/176007238.db2.gz PBNFAAIJGSTXLK-LBPRGKRZSA-N 1 0 252.155 3.046 10 0 CGAERO Fc1ccc(Br)c2c1CC[NH2+][C@H]2C1CC1 ZINC000070821331 176007659 /nfs/dbraw/zinc/00/76/59/176007659.db2.gz ZSGSEULCVWWWML-LBPRGKRZSA-N 1 0 270.145 3.185 10 0 CGAERO Cc1ccc([C@H](C[NH3+])Oc2cc(F)ccc2F)s1 ZINC000071167173 176049403 /nfs/dbraw/zinc/04/94/03/176049403.db2.gz HJLBOEQHQYRLGI-LBPRGKRZSA-N 1 0 269.316 3.414 10 0 CGAERO C[C@H]([NH3+])[C@@H](Oc1cc(F)ccc1F)c1ccco1 ZINC000071167194 176049498 /nfs/dbraw/zinc/04/94/98/176049498.db2.gz BXZDHHXPJSUTAP-ISVAXAHUSA-N 1 0 253.248 3.025 10 0 CGAERO CCCN([C@@H](C)c1cccc(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000071314758 176121255 /nfs/dbraw/zinc/12/12/55/176121255.db2.gz DCQRAZIYBYQVMR-SWLSCSKDSA-N 1 0 266.816 3.475 10 0 CGAERO COc1ccc(C(C)(C)C)cc1[C@@H](C)OCC[NH3+] ZINC000071573451 176200361 /nfs/dbraw/zinc/20/03/61/176200361.db2.gz IAWZIFZQYVAMRG-LLVKDONJSA-N 1 0 251.370 3.029 10 0 CGAERO CN(Cc1ccccc1)c1ccc(CCC[NH3+])cc1 ZINC000071575928 176203030 /nfs/dbraw/zinc/20/30/30/176203030.db2.gz VLYVUVARRQPJJY-UHFFFAOYSA-N 1 0 254.377 3.214 10 0 CGAERO Brc1csc(C2=CCC[NH2+]CC2)c1 ZINC000071583705 176208271 /nfs/dbraw/zinc/20/82/71/176208271.db2.gz XKNYZCITNHHAAA-UHFFFAOYSA-N 1 0 258.184 3.277 10 0 CGAERO COc1ccc(C(C)(C)C)cc1[C@H](CO)[NH2+]C(C)C ZINC000071597963 176221466 /nfs/dbraw/zinc/22/14/66/176221466.db2.gz FODYCTPNVCIJPG-AWEZNQCLSA-N 1 0 265.397 3.024 10 0 CGAERO CC[NH2+][C@@H](C)[C@@H](O)c1ccc(OC(C)C)c(Cl)c1 ZINC000071611288 176231727 /nfs/dbraw/zinc/23/17/27/176231727.db2.gz MPUAQDGQBZJVCY-IINYFYTJSA-N 1 0 271.788 3.159 10 0 CGAERO COc1cc2c(cc1OC)C(C)(C)C[NH2+][C@@H]2c1ccccn1 ZINC000071652624 176241464 /nfs/dbraw/zinc/24/14/64/176241464.db2.gz AARAWBANTYZLIV-KRWDZBQOSA-N 1 0 298.386 3.069 10 0 CGAERO COc1ccc(C(C)C)cc1[C@@H](C[NH3+])N(C)C(C)C ZINC000076369748 177006622 /nfs/dbraw/zinc/00/66/22/177006622.db2.gz WSJWLKOJCWUXSO-OAHLLOKOSA-N 1 0 264.413 3.159 10 0 CGAERO CCc1cccc(OC[C@@H](C[NH3+])c2ccccc2)c1 ZINC000076660594 177048537 /nfs/dbraw/zinc/04/85/37/177048537.db2.gz KRIPAJFZJONTQY-MRXNPFEDSA-N 1 0 255.361 3.370 10 0 CGAERO COc1ccc(F)cc1[C@H](C[NH3+])CCc1ccco1 ZINC000076677286 177056515 /nfs/dbraw/zinc/05/65/15/177056515.db2.gz UIBXHWQLXBTUAL-NSHDSACASA-N 1 0 263.312 3.102 10 0 CGAERO CC1(C)CC[C@]2(CCCN(Cc3ccccc3)C2)[NH2+]1 ZINC000076697633 177061161 /nfs/dbraw/zinc/06/11/61/177061161.db2.gz YGGYPJDHPPWODR-KRWDZBQOSA-N 1 0 258.409 3.183 10 0 CGAERO CCC[C@@H](C[NH3+])CC(=O)Nc1ccc(Cl)cc1C ZINC000076705981 177065294 /nfs/dbraw/zinc/06/52/94/177065294.db2.gz DKOZUHNGUHOKEB-LLVKDONJSA-N 1 0 268.788 3.352 10 0 CGAERO C[C@@H](CCC[NH3+])C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000076722358 177069807 /nfs/dbraw/zinc/06/98/07/177069807.db2.gz KOEJGYLERUEMGF-QMMMGPOBSA-N 1 0 275.179 3.307 10 0 CGAERO CC[NH2+]Cc1csc(N(CC)c2ccccc2)n1 ZINC000076786509 177094040 /nfs/dbraw/zinc/09/40/40/177094040.db2.gz IAOIXHKGMBAYKT-UHFFFAOYSA-N 1 0 261.394 3.411 10 0 CGAERO Cc1ccc(NC(=O)CC[C@@H](C)C[NH3+])c(Br)c1 ZINC000076870291 177125449 /nfs/dbraw/zinc/12/54/49/177125449.db2.gz JHIMZCQHGZVIKV-SNVBAGLBSA-N 1 0 299.212 3.071 10 0 CGAERO CSc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000077204334 177232482 /nfs/dbraw/zinc/23/24/82/177232482.db2.gz GJLLZOSRCTYFCI-ZFWWWQNUSA-N 1 0 265.422 3.049 10 0 CGAERO [NH3+][C@@H]1CCC[C@H](c2cccc(Br)c2)C1 ZINC000077607652 177284308 /nfs/dbraw/zinc/28/43/08/177284308.db2.gz HAVPPDZWTCEODW-CMPLNLGQSA-N 1 0 254.171 3.434 10 0 CGAERO [NH3+][C@H]1CCC[C@H](c2cccc(Br)c2)C1 ZINC000077607646 177284362 /nfs/dbraw/zinc/28/43/62/177284362.db2.gz HAVPPDZWTCEODW-JQWIXIFHSA-N 1 0 254.171 3.434 10 0 CGAERO C[C@H](NC(=O)CCC(C)(C)[NH3+])c1ccc(Cl)s1 ZINC000070086964 416489838 /nfs/dbraw/zinc/48/98/38/416489838.db2.gz DONWKHQPRPFBFS-QMMMGPOBSA-N 1 0 274.817 3.096 10 0 CGAERO C[C@@H]([NH2+]CC1CC(O)C1)c1cc2c(s1)CCCC2 ZINC000129522711 287334191 /nfs/dbraw/zinc/33/41/91/287334191.db2.gz SPHTWMOCWUIVKA-XSRFYTQQSA-N 1 0 265.422 3.048 10 0 CGAERO COCCOCCCC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000130233748 287348418 /nfs/dbraw/zinc/34/84/18/287348418.db2.gz ZISKHBUTZJSICD-IXDOHACOSA-N 1 0 285.472 3.480 10 0 CGAERO Cc1c2ccccc2oc1[C@H](C)[NH2+]C1CC(CO)C1 ZINC000658352920 418946622 /nfs/dbraw/zinc/94/66/22/418946622.db2.gz ZYEZMPKCHWLRFV-HIFPTAJRSA-N 1 0 259.349 3.163 10 0 CGAERO CC1(C)CCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CC(C)(C)C1 ZINC000659357275 418978979 /nfs/dbraw/zinc/97/89/79/418978979.db2.gz GHAFHHHHDZPOMF-KGLIPLIRSA-N 1 0 280.456 3.036 10 0 CGAERO OCCC1([NH2+]C[C@@H]2CCCCC2(F)F)CCCC1 ZINC000660682119 419182029 /nfs/dbraw/zinc/18/20/29/419182029.db2.gz HWTJTDKOWXPKME-LBPRGKRZSA-N 1 0 261.356 3.097 10 0 CGAERO O[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@@H](C3CCC3)C2)C1 ZINC000662042453 419327911 /nfs/dbraw/zinc/32/79/11/419327911.db2.gz HBAVOTLZLMXDRZ-FVQBIDKESA-N 1 0 251.414 3.050 10 0 CGAERO CN1C[C@H](C[NH2+][C@H]2CCC[C@H](C(C)(C)C)CC2)CC1=O ZINC000657696425 419329449 /nfs/dbraw/zinc/32/94/49/419329449.db2.gz UNEKDBULTMLPBZ-KKUMJFAQSA-N 1 0 280.456 3.049 10 0 CGAERO CCOC1CCC([NH2+][C@H]2CCOc3ccccc32)CC1 ZINC000657821587 419369707 /nfs/dbraw/zinc/36/97/07/419369707.db2.gz SXQKACYSFVOTNX-XUJLQICISA-N 1 0 275.392 3.448 10 0 CGAERO CN(C)C[C@@H]([NH2+][C@H]1CCCSCC1)c1ccccc1 ZINC000657826800 419374664 /nfs/dbraw/zinc/37/46/64/419374664.db2.gz KWRCCJFFEZPVBZ-JKSUJKDBSA-N 1 0 278.465 3.165 10 0 CGAERO CCCCOC[C@H](O)C[NH2+]C1CCC(C2CCC2)CC1 ZINC000663370033 419580252 /nfs/dbraw/zinc/58/02/52/419580252.db2.gz MCQUMGPQOINKNY-OFLPRAFFSA-N 1 0 283.456 3.113 10 0 CGAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1nn(CC)c2ccccc12 ZINC000225361920 287632872 /nfs/dbraw/zinc/63/28/72/287632872.db2.gz WYVRIGIFOSBZRB-JSGCOSHPSA-N 1 0 257.381 3.334 10 0 CGAERO O=C(C[NH2+]CCC1=CCCCC1)Nc1ccccc1 ZINC000047865030 260197152 /nfs/dbraw/zinc/19/71/52/260197152.db2.gz NTUXEYBODKRBCE-UHFFFAOYSA-N 1 0 258.365 3.105 10 0 CGAERO CC(C)(C)CCC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000301951213 262391257 /nfs/dbraw/zinc/39/12/57/262391257.db2.gz JPEKVKXBECGSNO-HOCLYGCPSA-N 1 0 253.430 3.440 10 0 CGAERO Cc1c([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)cnn1C(C)(C)C ZINC000191304683 270074770 /nfs/dbraw/zinc/07/47/70/270074770.db2.gz MKQWCMLARMZZTI-NOLJZWGESA-N 1 0 293.455 3.148 10 0 CGAERO O[C@]12CCCC[C@H]1C[N@H+](C/C=C/c1ccccc1)CC2 ZINC000220409565 270085940 /nfs/dbraw/zinc/08/59/40/270085940.db2.gz ZTAFFGHFLURQDO-TYKASLFTSA-N 1 0 271.404 3.327 10 0 CGAERO O[C@@]12CCCC[C@H]1C[N@H+](Cc1ccc3c(c1)CCC3)CC2 ZINC000220388137 270085983 /nfs/dbraw/zinc/08/59/83/270085983.db2.gz AAMCMLHFBNCHBS-RBUKOAKNSA-N 1 0 285.431 3.302 10 0 CGAERO CC1(C)[C@H]([NH2+]CC2(C)CCCCC2)[C@@H]2CCO[C@@H]21 ZINC000224745647 270086817 /nfs/dbraw/zinc/08/68/17/270086817.db2.gz YQERZTWYPUCFNN-MJBXVCDLSA-N 1 0 251.414 3.360 10 0 CGAERO CON1CCC([NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CC1 ZINC000323360228 270094203 /nfs/dbraw/zinc/09/42/03/270094203.db2.gz KSFXRHHIRFNGGJ-NUEKZKHPSA-N 1 0 268.445 3.063 10 0 CGAERO CC1(C)CN(c2noc3ccc(Cl)cc32)CC[C@H]1[NH3+] ZINC000334995341 273585863 /nfs/dbraw/zinc/58/58/63/273585863.db2.gz JYVRNUKZTKMDAF-GFCCVEGCSA-N 1 0 279.771 3.045 10 0 CGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@@H](C)C[C@H](C)O ZINC000248141090 287755202 /nfs/dbraw/zinc/75/52/02/287755202.db2.gz PQYNVLBAPSVLIT-OLMNGRFOSA-N 1 0 255.446 3.444 10 0 CGAERO Cc1cc2c(c(-c3ccc4ccccc4n3)c1)O[C@H](C[NH3+])C2 ZINC000067883706 274725512 /nfs/dbraw/zinc/72/55/12/274725512.db2.gz XMNIQLHXZVBWMI-HNNXBMFYSA-N 1 0 290.366 3.472 10 0 CGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)C12CCOCC2 ZINC000249056280 287799587 /nfs/dbraw/zinc/79/95/87/287799587.db2.gz XQEUMFNTVFWXLN-BPKGMFCQSA-N 1 0 295.467 3.375 10 0 CGAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)c1ccccc1)CC2 ZINC000172469026 275776645 /nfs/dbraw/zinc/77/66/45/275776645.db2.gz CIEQMHKEKLNHEM-HIFRSBDPSA-N 1 0 284.407 3.067 10 0 CGAERO CC1(C)C[C@H]([NH2+][C@@H]2CCOc3ccccc32)C(C)(C)O1 ZINC000094423472 275869024 /nfs/dbraw/zinc/86/90/24/275869024.db2.gz VPBFYYLBVKTJNI-HIFRSBDPSA-N 1 0 275.392 3.446 10 0 CGAERO CCC[C@H]1[C@H](C)CCC[N@@H+]1Cc1c(C)nn(C)c1OC ZINC000093740822 276051092 /nfs/dbraw/zinc/05/10/92/276051092.db2.gz IDPXPSPUIQPYEX-DOMZBBRYSA-N 1 0 279.428 3.138 10 0 CGAERO CC[C@H](C)[C@H](C)[NH2+]C1CCN(c2ccc(C)cn2)CC1 ZINC000163455386 276620883 /nfs/dbraw/zinc/62/08/83/276620883.db2.gz ZVODWJPRRLQIQB-GJZGRUSLSA-N 1 0 275.440 3.383 10 0 CGAERO CC(C)CN1CCC[C@@H]1C[NH2+][C@H](C)C1CCSCC1 ZINC000187394113 277394640 /nfs/dbraw/zinc/39/46/40/277394640.db2.gz OHSSXECILZUWOO-GDBMZVCRSA-N 1 0 284.513 3.228 10 0 CGAERO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2CO)C1 ZINC000300521430 277789092 /nfs/dbraw/zinc/78/90/92/277789092.db2.gz PJQWGOOSHWCRHZ-WCVJEAGWSA-N 1 0 253.430 3.342 10 0 CGAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000271954979 277948487 /nfs/dbraw/zinc/94/84/87/277948487.db2.gz CFULLRUCKIXZRH-MRRJBJDNSA-N 1 0 275.392 3.230 10 0 CGAERO C[C@@H]1C[C@H]([NH2+]CC[C@H](O)C(F)(F)F)CC(C)(C)C1 ZINC000349334280 278025978 /nfs/dbraw/zinc/02/59/78/278025978.db2.gz SOCMAMGCCJTOJH-VWYCJHECSA-N 1 0 267.335 3.104 10 0 CGAERO C[C@H](N[C@H]1CCC[NH2+][C@@H]1C)c1ccccc1OC(F)F ZINC000396581096 288014380 /nfs/dbraw/zinc/01/43/80/288014380.db2.gz PGUIDROWRALLTP-LOWVWBTDSA-N 1 0 284.350 3.079 10 0 CGAERO C[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1cncc(F)c1 ZINC000178276999 278374447 /nfs/dbraw/zinc/37/44/47/278374447.db2.gz GDNYLUITDHFHCU-IAQYHMDHSA-N 1 0 272.323 3.395 10 0 CGAERO C[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccncc1 ZINC000020121603 278374471 /nfs/dbraw/zinc/37/44/71/278374471.db2.gz CJHJBOIDTCTDLG-IUODEOHRSA-N 1 0 254.333 3.256 10 0 CGAERO O[C@@H]1CC[C@@H]2C[N@H+](CCSc3ccccc3F)C[C@H]2C1 ZINC000399048606 288049397 /nfs/dbraw/zinc/04/93/97/288049397.db2.gz 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ZINC000061181957 520072598 /nfs/dbraw/zinc/07/25/98/520072598.db2.gz WWSVAIPQBVWNHD-JTQLQIEISA-N 1 0 261.344 3.051 10 0 CGAERO CCC[NH2+][C@H]1CC[C@H](CC)C[C@@H]1Cc1cnn(C)c1 ZINC000050540937 520097810 /nfs/dbraw/zinc/09/78/10/520097810.db2.gz DQLBHNZUSFQTBT-IMJJTQAJSA-N 1 0 263.429 3.157 10 0 CGAERO CC[NH2+][C@@H](Cc1cc(F)ccc1F)c1ccco1 ZINC000054456193 520103570 /nfs/dbraw/zinc/10/35/70/520103570.db2.gz WLUFFAFIQYCREZ-ZDUSSCGKSA-N 1 0 251.276 3.451 10 0 CGAERO CC[NH2+][C@H](C)CC(=O)Nc1c(CC)cccc1CC ZINC000061268818 520168138 /nfs/dbraw/zinc/16/81/38/520168138.db2.gz QRFNHBBYHYEPEN-GFCCVEGCSA-N 1 0 262.397 3.138 10 0 CGAERO CC[NH2+][C@H](C)c1cnc(N2C[C@H](C)C[C@H](C)C2)s1 ZINC000054899790 520181050 /nfs/dbraw/zinc/18/10/50/520181050.db2.gz IKIHVQBQCVMQOC-GRYCIOLGSA-N 1 0 267.442 3.296 10 0 CGAERO CC[NH2+][C@H](c1cncnc1)C(C)(C)c1ccccc1 ZINC000062773517 520211870 /nfs/dbraw/zinc/21/18/70/520211870.db2.gz KHYCSNHTWIASHH-OAHLLOKOSA-N 1 0 255.365 3.105 10 0 CGAERO CC1(C)C[N@H+](CCCc2ccccc2)C(C)(C)CN1 ZINC000062657409 520465263 /nfs/dbraw/zinc/46/52/63/520465263.db2.gz MXSVEIOGXLBBMN-UHFFFAOYSA-N 1 0 260.425 3.082 10 0 CGAERO CC1(C)[C@H]([NH2+][C@@H]2CCOc3ccccc32)[C@@H]2CCCO[C@@H]21 ZINC000085673526 520672012 /nfs/dbraw/zinc/67/20/12/520672012.db2.gz ZTRWVMIFFPJRPY-ABFRBSLYSA-N 1 0 287.403 3.303 10 0 CGAERO CCCCOCC[C@@H](C[NH2+]C)Cc1ccc(F)cc1 ZINC000052974846 520793944 /nfs/dbraw/zinc/79/39/44/520793944.db2.gz KMBORYRKFJVBCN-OAHLLOKOSA-N 1 0 267.388 3.411 10 0 CGAERO CCC[C@@](C)(C[NH3+])CN(CC)c1cccc(F)c1 ZINC000051251136 520909991 /nfs/dbraw/zinc/90/99/91/520909991.db2.gz MNORGBOTEZTNOO-HNNXBMFYSA-N 1 0 252.377 3.417 10 0 CGAERO CCCC[C@@H](CC)C(=O)N(C)CCC1CC[NH2+]CC1 ZINC000048259894 521013445 /nfs/dbraw/zinc/01/34/45/521013445.db2.gz GISDLVGLMPNUQB-OAHLLOKOSA-N 1 0 268.445 3.051 10 0 CGAERO CCC[C@H](NC(=O)[C@@H]([NH3+])[C@@H](C)CC)c1cccs1 ZINC000049546896 521138279 /nfs/dbraw/zinc/13/82/79/521138279.db2.gz OBLIOHDOABRYFD-GVXVVHGQSA-N 1 0 268.426 3.079 10 0 CGAERO CCC[C@](C)(CCOCCC(C)C)C[NH2+]CCOC ZINC000054657559 521267761 /nfs/dbraw/zinc/26/77/61/521267761.db2.gz JOQQDYJTPODDPB-MRXNPFEDSA-N 1 0 273.461 3.482 10 0 CGAERO CCN(Cc1cccs1)C[C@@](C)([NH3+])c1ccccc1 ZINC000052883479 521408499 /nfs/dbraw/zinc/40/84/99/521408499.db2.gz TUDPEBDOMSCMFI-MRXNPFEDSA-N 1 0 274.433 3.444 10 0 CGAERO CCC(CC)CN(CC)C(=O)[C@H]1CCC[C@H]([NH3+])[C@@H]1C ZINC000055128873 521517664 /nfs/dbraw/zinc/51/76/64/521517664.db2.gz FYGQCOPFZJFVBM-SNPRPXQTSA-N 1 0 268.445 3.035 10 0 CGAERO C[NH2+]C1CCN([C@@H](C)c2cc(C)sc2C)CC1 ZINC000049508923 521952655 /nfs/dbraw/zinc/95/26/55/521952655.db2.gz HYPUSNDCYQFONO-NSHDSACASA-N 1 0 252.427 3.110 10 0 CGAERO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2c1cccc(C)c1C ZINC000054601475 521956015 /nfs/dbraw/zinc/95/60/15/521956015.db2.gz JFJQSPUCCJWEIR-MQVJKMGUSA-N 1 0 258.409 3.413 10 0 CGAERO CC[C@@H](C)CNC(=O)Nc1cccc([C@@H](C)[NH2+]C)c1 ZINC000054491499 521993758 /nfs/dbraw/zinc/99/37/58/521993758.db2.gz UXUAKXROBWELPB-VXGBXAGGSA-N 1 0 263.385 3.135 10 0 CGAERO C[NH2+]C[C@@]1(CCOc2ccccc2)C[C@H]2CC[C@@H]1C2 ZINC000054638897 522063049 /nfs/dbraw/zinc/06/30/49/522063049.db2.gz RIURURDXEOOAOA-ZMSDIMECSA-N 1 0 259.393 3.481 10 0 CGAERO CC[C@H](C[NH2+]C(C)(C)C)N(C)Cc1ccc(C)o1 ZINC000052455648 522190356 /nfs/dbraw/zinc/19/03/56/522190356.db2.gz UWBUCFBOJFNXLR-CYBMUJFWSA-N 1 0 252.402 3.187 10 0 CGAERO CC[C@H]([NH3+])[C@@H](Sc1cc(C)nn1C)c1ccc(C)o1 ZINC000052309566 522336692 /nfs/dbraw/zinc/33/66/92/522336692.db2.gz LSYJSSSLHSNSAS-SMDDNHRTSA-N 1 0 279.409 3.201 10 0 CGAERO C[NH2+][C@@H](C)c1cnc(-c2cc(F)cc(F)c2)nc1C ZINC000054962855 522336788 /nfs/dbraw/zinc/33/67/88/522336788.db2.gz GBJNJEHLKIMZPE-QMMMGPOBSA-N 1 0 263.291 3.011 10 0 CGAERO C[NH2+][C@@H](Cc1c(F)cccc1Cl)c1ccccn1 ZINC000049347155 522359890 /nfs/dbraw/zinc/35/98/90/522359890.db2.gz UDPUAWFGWLCTIQ-AWEZNQCLSA-N 1 0 264.731 3.377 10 0 CGAERO C[NH2+][C@@H](c1ccc(OC(C)C)cc1)[C@@H]1CCCOC1 ZINC000062231806 522368564 /nfs/dbraw/zinc/36/85/64/522368564.db2.gz 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CC[C@@H](C)[C@@H]([NH3+])C(=O)NC1CCC(C(C)(C)CC)CC1 ZINC000037005723 344946428 /nfs/dbraw/zinc/94/64/28/344946428.db2.gz PCDTZEVRLWZOON-XSCHDIRWSA-N 1 0 282.472 3.471 10 0 CGAERO Cc1ccc([C@@H](C)NC(=O)CC[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000043588908 345001839 /nfs/dbraw/zinc/00/18/39/345001839.db2.gz IBDVKNVHMKFQRS-HZPDHXFCSA-N 1 0 288.435 3.260 10 0 CGAERO CCCN(Cc1ccc(C)cc1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054307709 345132272 /nfs/dbraw/zinc/13/22/72/345132272.db2.gz RYJDEHJMRPCPIZ-KRWDZBQOSA-N 1 0 288.435 3.123 10 0 CGAERO CC(C)C[C@@H]([NH3+])[C@H](O)c1ccc(Cl)cc1Cl ZINC000054929264 345140590 /nfs/dbraw/zinc/14/05/90/345140590.db2.gz PKBYHWZNTFHMDE-VXGBXAGGSA-N 1 0 262.180 3.400 10 0 CGAERO CC(C)C[C@H]([NH3+])[C@@H](O)c1cccc(Cl)c1Cl ZINC000054929625 345141104 /nfs/dbraw/zinc/14/11/04/345141104.db2.gz PTYSKHJQUNIUQR-JQWIXIFHSA-N 1 0 262.180 3.400 10 0 CGAERO C[C@@H](c1ncc(C(F)(F)F)cc1Cl)[C@H](C)[NH3+] ZINC000063028710 345242920 /nfs/dbraw/zinc/24/29/20/345242920.db2.gz CVXHVOJRHYGZOM-RITPCOANSA-N 1 0 252.667 3.205 10 0 CGAERO CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)C(C)C)c1ccco1 ZINC000065482869 345273207 /nfs/dbraw/zinc/27/32/07/345273207.db2.gz HYOBDMZEAFWYFY-UONOGXRCSA-N 1 0 295.427 3.006 10 0 CGAERO C[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@@H]2Cn2ccnc2)C1 ZINC000188405015 542248031 /nfs/dbraw/zinc/24/80/31/542248031.db2.gz GEMQZIMKUWJHRJ-OWCLPIDISA-N 1 0 261.413 3.174 10 0 CGAERO O[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116290589 232183882 /nfs/dbraw/zinc/18/38/82/232183882.db2.gz OEKPBVCMERKOID-HZPDHXFCSA-N 1 0 271.360 3.020 10 0 CGAERO C[C@H]1C[NH+]=C(NCc2cc(Br)cs2)S1 ZINC000070600749 345392762 /nfs/dbraw/zinc/39/27/62/345392762.db2.gz HPMQXMGZVMPEGM-LURJTMIESA-N 1 0 291.239 3.092 10 0 CGAERO [NH3+][C@@H]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000070741188 345393983 /nfs/dbraw/zinc/39/39/83/345393983.db2.gz CPJKWWLEQUZPPT-ZYHUDNBSSA-N 1 0 254.171 3.119 10 0 CGAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1Br ZINC000152301637 232208398 /nfs/dbraw/zinc/20/83/98/232208398.db2.gz MHNBHTROWSVBKW-JSGCOSHPSA-N 1 0 298.224 3.090 10 0 CGAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000152320621 232209514 /nfs/dbraw/zinc/20/95/14/232209514.db2.gz NZSYMQFTHQGCRD-JSGCOSHPSA-N 1 0 298.224 3.090 10 0 CGAERO CC(C)(C)c1ccc(NC(=O)[C@@]2(C)CCC[NH2+]2)cc1 ZINC000079510222 345644145 /nfs/dbraw/zinc/64/41/45/345644145.db2.gz SSJUUHOHYOYMDT-MRXNPFEDSA-N 1 0 260.381 3.065 10 0 CGAERO Cc1[nH+]c(C2CCCC2)c(N)n1Cc1ccccc1 ZINC000106832741 345931833 /nfs/dbraw/zinc/93/18/33/345931833.db2.gz PJLLVIZTAJTSSN-UHFFFAOYSA-N 1 0 255.365 3.480 10 0 CGAERO c1ccc([C@H]2C[C@@H](N3CC[NH2+]CC3)c3ccccc32)cc1 ZINC000114906495 345967382 /nfs/dbraw/zinc/96/73/82/345967382.db2.gz QPABODDHXQJCDN-RTBURBONSA-N 1 0 278.399 3.169 10 0 CGAERO COc1ccc([C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000115310099 345970601 /nfs/dbraw/zinc/97/06/01/345970601.db2.gz HNZBMXOBIJHWLS-DYVFJYSZSA-N 1 0 255.361 3.369 10 0 CGAERO Fc1ccccc1[C@@H]1OCC[NH2+]C[C@@H]1c1ccccc1 ZINC000117607686 345984969 /nfs/dbraw/zinc/98/49/69/345984969.db2.gz CVPIZACMINQTTN-WBVHZDCISA-N 1 0 271.335 3.270 10 0 CGAERO C[C@@H]([NH2+][C@@H]1CC1(C)C)c1ccc(Br)o1 ZINC000131686602 346066958 /nfs/dbraw/zinc/06/69/58/346066958.db2.gz SBQGDZAWUQAYEK-VXNVDRBHSA-N 1 0 258.159 3.491 10 0 CGAERO CC[C@H]([NH2+]C[C@@H]1CN(CC)CCO1)c1ccc(Cl)cc1 ZINC000134441593 346082355 /nfs/dbraw/zinc/08/23/55/346082355.db2.gz ZDISVEWONBUTLW-CVEARBPZSA-N 1 0 296.842 3.101 10 0 CGAERO C[NH2+][C@H]1CSC[C@H]1Cc1cc(Br)cs1 ZINC000134586119 346083325 /nfs/dbraw/zinc/08/33/25/346083325.db2.gz RCNROMDXEDCIJI-XCBNKYQSSA-N 1 0 292.267 3.004 10 0 CGAERO C=CC[C@H](CC[N@H+](C)Cc1ccccc1)C(=O)OCC ZINC000136197630 346089842 /nfs/dbraw/zinc/08/98/42/346089842.db2.gz IWVHEYHHQVCNSC-MRXNPFEDSA-N 1 0 275.392 3.264 10 0 CGAERO CC(C)=C[C@@H]([NH3+])c1ccccc1I ZINC000131157562 346063344 /nfs/dbraw/zinc/06/33/44/346063344.db2.gz CYQUEGKXFSUYCD-LLVKDONJSA-N 1 0 287.144 3.257 10 0 CGAERO CC(C)=C[C@@H]([NH3+])c1csc(I)c1 ZINC000131216232 346064489 /nfs/dbraw/zinc/06/44/89/346064489.db2.gz AABMKMJIRSMFAX-MRVPVSSYSA-N 1 0 293.173 3.319 10 0 CGAERO O=C(O[C@H]1CCC[NH2+]C1)c1ccc(-c2ccccc2)cc1 ZINC000147219649 346125596 /nfs/dbraw/zinc/12/55/96/346125596.db2.gz VIOKWMUJQSDLRV-KRWDZBQOSA-N 1 0 281.355 3.262 10 0 CGAERO [NH3+][C@H](Cc1cncs1)c1ccc(Br)s1 ZINC000159718331 346168610 /nfs/dbraw/zinc/16/86/10/346168610.db2.gz RDQXLMREMVLUDL-SSDOTTSWSA-N 1 0 289.223 3.210 10 0 CGAERO [NH3+][C@@H](Cc1cc(Br)cs1)[C@@H]1CCSC1 ZINC000162563990 346178662 /nfs/dbraw/zinc/17/86/62/346178662.db2.gz WLYBMDVQPWTYMG-XCBNKYQSSA-N 1 0 292.267 3.134 10 0 CGAERO CC[C@@H]1C[C@]1(C[NH3+])c1ccccc1Br ZINC000160973963 346173428 /nfs/dbraw/zinc/17/34/28/346173428.db2.gz JSRIHUHAUXNNPU-BXKDBHETSA-N 1 0 254.171 3.076 10 0 CGAERO [NH3+]C1(Cc2cccc(F)c2Br)CCC1 ZINC000157837989 346162567 /nfs/dbraw/zinc/16/25/67/346162567.db2.gz LUZGRRCHNFPQJT-UHFFFAOYSA-N 1 0 258.134 3.012 10 0 CGAERO CCCCOc1ccc2cc(C3=[NH+]CCN3)ccc2c1 ZINC000205550399 346283139 /nfs/dbraw/zinc/28/31/39/346283139.db2.gz BSJRDGSJFVKQRD-UHFFFAOYSA-N 1 0 268.360 3.369 10 0 CGAERO Fc1ccc([C@@H]2CCCC[NH2+]2)cc1Br ZINC000218292920 346292647 /nfs/dbraw/zinc/29/26/47/346292647.db2.gz IAOPSJBHQNIFNG-NSHDSACASA-N 1 0 258.134 3.403 10 0 CGAERO Cc1cccc(C)c1[C@@H]1CNC(=[NH2+])N1Cc1ccccc1 ZINC000215604671 346288943 /nfs/dbraw/zinc/28/89/43/346288943.db2.gz CSCCYZZOZCIULT-INIZCTEOSA-N 1 0 279.387 3.175 10 0 CGAERO COC(C)(C)CC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000234590425 346332735 /nfs/dbraw/zinc/33/27/35/346332735.db2.gz SBZYYTNBOAITGZ-UHFFFAOYSA-N 1 0 251.414 3.216 10 0 CGAERO CC[C@@H]([NH3+])c1ccc(F)c(F)c1Br ZINC000227104180 346307965 /nfs/dbraw/zinc/30/79/65/346307965.db2.gz HIWRYGZEBQAXNW-SSDOTTSWSA-N 1 0 250.086 3.137 10 0 CGAERO [NH3+]Cc1csc(-c2sccc2Br)n1 ZINC000228016761 346312782 /nfs/dbraw/zinc/31/27/82/346312782.db2.gz PCLDJIGJQARTDU-UHFFFAOYSA-N 1 0 275.196 3.093 10 0 CGAERO [NH3+]Cc1cnc(-c2sccc2Br)s1 ZINC000228016320 346312834 /nfs/dbraw/zinc/31/28/34/346312834.db2.gz OSLKMVWPIOHCAG-UHFFFAOYSA-N 1 0 275.196 3.093 10 0 CGAERO [NH3+][C@@H]1CC[C@H](c2cccc(Br)c2F)C1 ZINC000229827968 346318135 /nfs/dbraw/zinc/31/81/35/346318135.db2.gz DUTHAALJOVPNGK-JGVFFNPUSA-N 1 0 258.134 3.183 10 0 CGAERO C[C@@H]([NH3+])/C=C/c1ccc(Cl)cc1Br ZINC000231751103 346323977 /nfs/dbraw/zinc/32/39/77/346323977.db2.gz SEMMAMCVRCDIAU-TYWZFMJISA-N 1 0 260.562 3.463 10 0 CGAERO CC[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000247183527 346368619 /nfs/dbraw/zinc/36/86/19/346368619.db2.gz UXVSXPBAHKWOKW-IAQYHMDHSA-N 1 0 297.345 3.301 10 0 CGAERO CC[C@H](c1ccc(F)cc1)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000247223844 346369150 /nfs/dbraw/zinc/36/91/50/346369150.db2.gz XWYWWOYRYCFBHI-SLEUVZQESA-N 1 0 251.345 3.386 10 0 CGAERO C[C@H]1[NH2+][C@@H](C)[C@H](C)N(Cc2ccc(Cl)cc2)[C@H]1C ZINC000257351760 346399529 /nfs/dbraw/zinc/39/95/29/346399529.db2.gz GZDGWAQBEFNWHE-RNJOBUHISA-N 1 0 266.816 3.299 10 0 CGAERO COc1ccc2c(CCC[NH2+]C(C)C)cn(C)c2c1 ZINC000098160142 185694798 /nfs/dbraw/zinc/69/47/98/185694798.db2.gz WULXKQLUTANSBU-UHFFFAOYSA-N 1 0 260.381 3.118 10 0 CGAERO C[NH2+]C[C@@H]1[C@H](c2ccc(Br)o2)C1(C)C ZINC000300928851 346438665 /nfs/dbraw/zinc/43/86/65/346438665.db2.gz FJIYSRMKHOUZRP-GMSGAONNSA-N 1 0 258.159 3.001 10 0 CGAERO [NH3+]C[C@H]1CC[C@H](c2cc(Cl)sc2Cl)O1 ZINC000306245248 346452360 /nfs/dbraw/zinc/45/23/60/346452360.db2.gz UXIZCKUTANZUMH-IYSWYEEDSA-N 1 0 252.166 3.234 10 0 CGAERO [NH2+]=C(NCc1ccccc1)Nc1ccc(F)c(F)c1 ZINC000306365334 346453011 /nfs/dbraw/zinc/45/30/11/346453011.db2.gz BNOCLGJUDHSZDD-UHFFFAOYSA-N 1 0 261.275 3.101 10 0 CGAERO [NH3+]CC1(C(=O)c2c(Cl)cccc2Br)CC1 ZINC000306315351 346453365 /nfs/dbraw/zinc/45/33/65/346453365.db2.gz ARAXYFHWZOGHRX-UHFFFAOYSA-N 1 0 288.572 3.024 10 0 CGAERO [NH3+]Cc1ccc(OC(F)(F)F)c(C(F)(F)F)c1 ZINC000310454941 346471420 /nfs/dbraw/zinc/47/14/20/346471420.db2.gz UBIUYTXOKPIGKO-UHFFFAOYSA-N 1 0 259.149 3.063 10 0 CGAERO CC(C)CC[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)C1CC1 ZINC000381012920 346557642 /nfs/dbraw/zinc/55/76/42/346557642.db2.gz SSVVBQATCSLYJG-XHSDSOJGSA-N 1 0 253.430 3.342 10 0 CGAERO Clc1cc2c(cc1C[NH2+]Cc1ccccc1)OCO2 ZINC000380909327 346557738 /nfs/dbraw/zinc/55/77/38/346557738.db2.gz JXCMNBPDHQVFNR-UHFFFAOYSA-N 1 0 275.735 3.359 10 0 CGAERO COc1ccc([C@@H](C)[NH2+]Cc2ccns2)cc1OC ZINC000404450055 346599537 /nfs/dbraw/zinc/59/95/37/346599537.db2.gz QPOAIANEGMSJSZ-SNVBAGLBSA-N 1 0 278.377 3.011 10 0 CGAERO FC(F)(F)[C@H]1CCC[C@@H]([NH2+]Cc2ccns2)C1 ZINC000404418046 346599890 /nfs/dbraw/zinc/59/98/90/346599890.db2.gz PTSAYSOALBAZPZ-DTWKUNHWSA-N 1 0 264.316 3.354 10 0 CGAERO C[C@H]([NH3+])c1ccccc1N1CCc2ccccc2C1 ZINC000019872400 136579380 /nfs/dbraw/zinc/57/93/80/136579380.db2.gz HHCMFXYUCREOFQ-ZDUSSCGKSA-N 1 0 252.361 3.269 10 0 CGAERO C[n+]1c2ccccc2sc1Cc1ccc(F)cc1 ZINC000584658337 346705723 /nfs/dbraw/zinc/70/57/23/346705723.db2.gz ZNEDYMJCVQCKHW-UHFFFAOYSA-N 1 0 258.341 3.456 10 0 CGAERO CC[NH2+]CCCC1=N[C@@H](c2ccc(Cl)cc2)N(CC)O1 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RDKTULBXXJCHHL-LLVKDONJSA-N 1 0 281.469 3.456 10 0 CGAERO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc(Cl)nc1 ZINC000245923127 138528286 /nfs/dbraw/zinc/52/82/86/138528286.db2.gz YFXVPYBZOUSQPF-OBCWZRDOSA-N 1 0 292.810 3.343 10 0 CGAERO c1nc(N2CC[N@@H+]3CCC[C@@H]3C2)sc1-c1ccccc1 ZINC000176924851 189014555 /nfs/dbraw/zinc/01/45/55/189014555.db2.gz OBSZLOTYKZHKEX-CQSZACIVSA-N 1 0 285.416 3.095 10 0 CGAERO CC(C)[N@H+]1C[C@H](NC(=O)c2cccc(C(F)F)c2)[C@@H](C)C1 ZINC000177059918 189025752 /nfs/dbraw/zinc/02/57/52/189025752.db2.gz XFYKLANCSBCQNF-FZMZJTMJSA-N 1 0 296.361 3.083 10 0 CGAERO COCc1cccc(C[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)c1 ZINC000179214530 189177866 /nfs/dbraw/zinc/17/78/66/189177866.db2.gz YPOHMGIIIRIRNK-SFHVURJKSA-N 1 0 299.418 3.175 10 0 CGAERO COCc1ccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)cc1 ZINC000180125284 189238345 /nfs/dbraw/zinc/23/83/45/189238345.db2.gz FWXSVEIKBUMJKE-SFHVURJKSA-N 1 0 299.418 3.003 10 0 CGAERO c1cc(CN[C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)co1 ZINC000180158970 189240936 /nfs/dbraw/zinc/24/09/36/189240936.db2.gz MJJQIKWCSLMTCA-OTWHNJEPSA-N 1 0 296.414 3.280 10 0 CGAERO CC[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000180731289 189272360 /nfs/dbraw/zinc/27/23/60/189272360.db2.gz GAYAMTPREZZCRJ-ZJUUUORDSA-N 1 0 286.778 3.044 10 0 CGAERO Cc1oc2ccccc2c1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000119510655 370683084 /nfs/dbraw/zinc/68/30/84/370683084.db2.gz GMERULCNTKHZPU-CQSZACIVSA-N 1 0 296.374 3.170 10 0 CGAERO Cc1cccc2c(N[C@H]3CC(=O)N(C(C)(C)C)C3)cc[nH+]c12 ZINC000301652288 201117472 /nfs/dbraw/zinc/11/74/72/201117472.db2.gz GRSLCFIHMMEEBC-ZDUSSCGKSA-N 1 0 297.402 3.355 10 0 CGAERO Cc1cc(NCCC2(C)OCCO2)c2ccccc2[nH+]1 ZINC000302137795 201359355 /nfs/dbraw/zinc/35/93/55/201359355.db2.gz CAIOPBHUTLUTPP-UHFFFAOYSA-N 1 0 272.348 3.108 10 0 CGAERO C1CCC([N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)C1 ZINC000120174798 370744325 /nfs/dbraw/zinc/74/43/25/370744325.db2.gz HMBSOJUPCUKUAN-AWEZNQCLSA-N 1 0 274.412 3.084 10 0 CGAERO 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C[NH2+]CC[C@H](c1cccs1)c1cccc(OC)c1 ZINC000011630458 170429389 /nfs/dbraw/zinc/42/93/89/170429389.db2.gz KLCWNDCZFBKYCK-AWEZNQCLSA-N 1 0 261.390 3.498 10 0 CGAERO Cc1cc(C)cc(OCc2ccc(C[NH3+])cc2F)c1 ZINC000019263072 170763108 /nfs/dbraw/zinc/76/31/08/170763108.db2.gz KKYBWBRLGSIOAN-UHFFFAOYSA-N 1 0 259.324 3.480 10 0 CGAERO C[C@H]1Cc2ccccc2N1C[C@@H]([NH3+])c1ccccc1 ZINC000019403771 170786023 /nfs/dbraw/zinc/78/60/23/170786023.db2.gz RITZHXLBQQUOCT-XJKSGUPXSA-N 1 0 252.361 3.138 10 0 CGAERO COc1ccc(SCc2ccc(C(N)=[NH2+])cc2)cc1 ZINC000019863366 170898881 /nfs/dbraw/zinc/89/88/81/170898881.db2.gz CMNNUBVFOKTNHT-UHFFFAOYSA-N 1 0 272.373 3.272 10 0 CGAERO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccncc2)C12CCCC2 ZINC000125638989 287248217 /nfs/dbraw/zinc/24/82/17/287248217.db2.gz SKWCDACPGVJLTP-HZPDHXFCSA-N 1 0 274.408 3.251 10 0 CGAERO c1ccc(CC[NH2+][C@@H]2CCOc3ccccc32)cc1 ZINC000019920036 170928178 /nfs/dbraw/zinc/92/81/78/170928178.db2.gz UTNRQWQHAHXIHM-MRXNPFEDSA-N 1 0 253.345 3.343 10 0 CGAERO 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CGAERO [NH3+]CCCN(Cc1ccccc1)c1ccc(F)cc1 ZINC000020237262 171096345 /nfs/dbraw/zinc/09/63/45/171096345.db2.gz HMBROZWFAKANDX-UHFFFAOYSA-N 1 0 258.340 3.181 10 0 CGAERO COc1ccc([C@H](C[NH3+])c2cn(C)c3ccccc23)cc1 ZINC000020268188 171124323 /nfs/dbraw/zinc/12/43/23/171124323.db2.gz JHPAUDKPSUWUTB-INIZCTEOSA-N 1 0 280.371 3.278 10 0 CGAERO CCCNC(=O)[C@@H](C)[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000020316369 171146907 /nfs/dbraw/zinc/14/69/07/171146907.db2.gz NILWJRCIFNWPPR-LSZNHBMWSA-N 1 0 292.467 3.096 10 0 CGAERO [NH3+][C@H](c1ccc(Cl)s1)[C@H]1COc2ccccc2O1 ZINC000020375019 171170638 /nfs/dbraw/zinc/17/06/38/171170638.db2.gz DHOVREXTOVRDEM-MFKMUULPSA-N 1 0 281.764 3.241 10 0 CGAERO Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH3+])cc1 ZINC000020390825 171179617 /nfs/dbraw/zinc/17/96/17/171179617.db2.gz UCFARJGWKVVBTQ-UHFFFAOYSA-N 1 0 281.334 3.446 10 0 CGAERO Cc1cccc(-n2cc(C[NH3+])c(-c3ccc(F)cc3)n2)c1 ZINC000020390748 171179843 /nfs/dbraw/zinc/17/98/43/171179843.db2.gz RGDFFDSXTYOUFI-UHFFFAOYSA-N 1 0 281.334 3.446 10 0 CGAERO C[C@@H]([NH3+])c1ccccc1O[C@H](C)C(=O)Nc1ccccc1 ZINC000020419490 171184259 /nfs/dbraw/zinc/18/42/59/171184259.db2.gz XOBJSRXGZRKQEJ-CHWSQXEVSA-N 1 0 284.359 3.112 10 0 CGAERO Cc1cc(N[C@@H]2C[NH+]3CCC2CC3)ccc1Br ZINC000020440598 171204294 /nfs/dbraw/zinc/20/42/94/171204294.db2.gz YEZSMUKFMCPCEA-CQSZACIVSA-N 1 0 295.224 3.264 10 0 CGAERO [NH2+]=C1CCCN1c1ccc(F)cc1Br ZINC000020444396 171205643 /nfs/dbraw/zinc/20/56/43/171205643.db2.gz AHDNSYIHZDOOTC-UHFFFAOYSA-N 1 0 257.106 3.166 10 0 CGAERO COc1ccc(F)cc1[C@H]([NH3+])c1cc(C)ccc1C ZINC000020470461 171212244 /nfs/dbraw/zinc/21/22/44/171212244.db2.gz DICFOLGWKQXJEZ-MRXNPFEDSA-N 1 0 259.324 3.499 10 0 CGAERO [NH3+]CCCC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000020505433 171228162 /nfs/dbraw/zinc/22/81/62/171228162.db2.gz UTIGWIWSIPEZCN-UHFFFAOYSA-N 1 0 281.570 3.324 10 0 CGAERO COc1cc(Cl)c(C)cc1Nc1cc[nH+]cc1N ZINC000020584859 171258040 /nfs/dbraw/zinc/25/80/40/171258040.db2.gz UIUNQNCZNSIGPI-UHFFFAOYSA-N 1 0 263.728 3.378 10 0 CGAERO CC[NH+](CC)CCC[C@@H](C)N1C(=S)N=NC1C1CC1 ZINC000020589476 171260221 /nfs/dbraw/zinc/26/02/21/171260221.db2.gz JGIKVPVYNJGOOH-LLVKDONJSA-N 1 0 282.457 3.127 10 0 CGAERO CC1CC[NH+]([C@]2(CN)C[C@H](C)CC(C)(C)C2)CC1 ZINC000021513798 171311502 /nfs/dbraw/zinc/31/15/02/171311502.db2.gz BQOZWJBHZMJZLL-GDBMZVCRSA-N 1 0 252.446 3.262 10 0 CGAERO Cc1ccc(C(=O)Nc2cccc(C[NH3+])c2)c(C)c1 ZINC000021955448 171341560 /nfs/dbraw/zinc/34/15/60/171341560.db2.gz WHADJEVEWHHJSF-UHFFFAOYSA-N 1 0 254.333 3.014 10 0 CGAERO Cn1cccc1C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000021987887 171345625 /nfs/dbraw/zinc/34/56/25/171345625.db2.gz RUWVMLNLWXPYGE-UHFFFAOYSA-N 1 0 282.387 3.120 10 0 CGAERO C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Cl)c(N)c1 ZINC000022153439 171360831 /nfs/dbraw/zinc/36/08/31/171360831.db2.gz KNPVFOWQSWRVOH-LLVKDONJSA-N 1 0 295.814 3.125 10 0 CGAERO Cc1ccc(C(=O)Nc2cccc([C@@H](C)[NH3+])c2)cc1F ZINC000022212403 171373793 /nfs/dbraw/zinc/37/37/93/171373793.db2.gz HLEVKRXPAFJZOE-LLVKDONJSA-N 1 0 272.323 3.406 10 0 CGAERO Cc1ccc(N)cc1NC(=O)CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000022212545 171373850 /nfs/dbraw/zinc/37/38/50/171373850.db2.gz KJKLZMCMRBJBAE-OKILXGFUSA-N 1 0 289.423 3.169 10 0 CGAERO Cc1c(N)cccc1NC(=O)CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000022218251 171376096 /nfs/dbraw/zinc/37/60/96/171376096.db2.gz RHAIGZHAHUUSCK-BETUJISGSA-N 1 0 289.423 3.169 10 0 CGAERO C[C@H]([NH3+])c1ccccc1NC(=O)CCc1ccccc1 ZINC000022222859 171379038 /nfs/dbraw/zinc/37/90/38/171379038.db2.gz DULZEGPMSNJKQO-ZDUSSCGKSA-N 1 0 268.360 3.278 10 0 CGAERO COc1cc(C[C@@H]2CCCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000032099144 171696548 /nfs/dbraw/zinc/69/65/48/171696548.db2.gz JSRAJJAABBYYJQ-LBPRGKRZSA-N 1 0 273.298 3.399 10 0 CGAERO C[C@@H]1CCC[C@@](C[NH3+])(N2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000035176774 172030421 /nfs/dbraw/zinc/03/04/21/172030421.db2.gz VLPQQYVKBVLFQN-YYIAUSFCSA-N 1 0 264.457 3.406 10 0 CGAERO Cc1cccc(NC(=O)C[NH2+][C@@H]2CCc3ccccc32)c1 ZINC000035180525 172034468 /nfs/dbraw/zinc/03/44/68/172034468.db2.gz PVPYCMPYPCNPCS-QGZVFWFLSA-N 1 0 280.371 3.211 10 0 CGAERO CCN(CC)C(=O)[C@H](C)[NH2+][C@H](c1cccs1)C(C)C ZINC000035224715 172069350 /nfs/dbraw/zinc/06/93/50/172069350.db2.gz ZDBGAOPTDXIYTJ-JSGCOSHPSA-N 1 0 282.453 3.292 10 0 CGAERO Cc1ccc2nc(C[C@H]([NH3+])c3ccccc3)oc2c1 ZINC000035279134 172098205 /nfs/dbraw/zinc/09/82/05/172098205.db2.gz PJZKDKPSXFUAFJ-ZDUSSCGKSA-N 1 0 252.317 3.379 10 0 CGAERO CCC[NH2+][C@@H](C)c1ccccc1SCCOC ZINC000035322030 172125271 /nfs/dbraw/zinc/12/52/71/172125271.db2.gz ZZSASWUKZAVLPL-LBPRGKRZSA-N 1 0 253.411 3.486 10 0 CGAERO CC(C)CC[C@@H]([NH3+])c1cc2c(cc1F)NC(=O)CC2 ZINC000035359645 172150051 /nfs/dbraw/zinc/15/00/51/172150051.db2.gz PGMVRVUKMZJDAA-CYBMUJFWSA-N 1 0 264.344 3.146 10 0 CGAERO CCCC[C@H]([NH3+])c1cc2c(cc1Cl)NC(=O)C2 ZINC000035359512 172150199 /nfs/dbraw/zinc/15/01/99/172150199.db2.gz JMLKUZRONVCCRA-NSHDSACASA-N 1 0 252.745 3.025 10 0 CGAERO COc1ccc([C@H]([NH3+])c2cccs2)cc1Cl ZINC000035381618 172164611 /nfs/dbraw/zinc/16/46/11/172164611.db2.gz CHTREWSOXTWEIE-LBPRGKRZSA-N 1 0 253.754 3.458 10 0 CGAERO CCc1ccccc1Oc1nc2sccn2c1C[NH3+] ZINC000035430826 172199252 /nfs/dbraw/zinc/19/92/52/172199252.db2.gz URGVNGAOCKCPJM-UHFFFAOYSA-N 1 0 273.361 3.209 10 0 CGAERO C[NH2+][C@@H](c1ccc(F)cc1)[C@@H]1Cc2ccccc2O1 ZINC000035463707 172211440 /nfs/dbraw/zinc/21/14/40/172211440.db2.gz JNAUIBPCZCYLFX-HOTGVXAUSA-N 1 0 257.308 3.090 10 0 CGAERO C[NH2+][C@H](c1cccc(F)c1)c1cc(F)ccc1F ZINC000035468755 172218867 /nfs/dbraw/zinc/21/88/67/172218867.db2.gz QFOLUVQYAFBTAB-CQSZACIVSA-N 1 0 251.251 3.413 10 0 CGAERO C[NH2+][C@H](c1sccc1C)c1ccc(OC)cc1OC ZINC000035488716 172223733 /nfs/dbraw/zinc/22/37/33/172223733.db2.gz QEEAHZUXPMACSQ-AWEZNQCLSA-N 1 0 277.389 3.383 10 0 CGAERO CC[NH2+][C@@H](c1cnn(C)c1)C12CC3CC(CC(C3)C1)C2 ZINC000035555914 172261960 /nfs/dbraw/zinc/26/19/60/172261960.db2.gz YPNCNXKBLMYWCO-AIWVUANBSA-N 1 0 273.424 3.287 10 0 CGAERO [NH3+]Cc1cc(Cl)cc(Cl)c1OC[C@@H]1CCCO1 ZINC000035661836 172339486 /nfs/dbraw/zinc/33/94/86/172339486.db2.gz VTLIIEFXHHMADL-JTQLQIEISA-N 1 0 276.163 3.010 10 0 CGAERO CN(Cc1cccs1)[C@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000035716971 172370922 /nfs/dbraw/zinc/37/09/22/172370922.db2.gz FPMBJDNSUDGEEK-CQSZACIVSA-N 1 0 282.359 3.158 10 0 CGAERO C[C@H]1CCCC[C@@]1(C[NH3+])N(C)Cc1ccsc1 ZINC000035719033 172373438 /nfs/dbraw/zinc/37/34/38/172373438.db2.gz RVFWRTDHZLASSZ-JSGCOSHPSA-N 1 0 252.427 3.088 10 0 CGAERO C[N@H+](Cc1ccsc1)Cc1ccc2c(c1)CCN2 ZINC000035719371 172373718 /nfs/dbraw/zinc/37/37/18/172373718.db2.gz GLCYLZQDYGFVAN-UHFFFAOYSA-N 1 0 258.390 3.348 10 0 CGAERO [NH3+]Cc1ccnc(Sc2ccc(Cl)cc2)c1 ZINC000035719993 172375194 /nfs/dbraw/zinc/37/51/94/172375194.db2.gz DSRAQSCCDNQMIS-UHFFFAOYSA-N 1 0 250.754 3.345 10 0 CGAERO C[C@H]1C[C@@H]([NH3+])c2cccc(Br)c2S1 ZINC000035751992 172397021 /nfs/dbraw/zinc/39/70/21/172397021.db2.gz DOSSECVAWIYCME-IMTBSYHQSA-N 1 0 258.184 3.333 10 0 CGAERO CC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)CC(C)C ZINC000036095394 172437451 /nfs/dbraw/zinc/43/74/51/172437451.db2.gz IMQRKQZPKNYXKT-HNNXBMFYSA-N 1 0 253.361 3.055 10 0 CGAERO [NH3+]C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(F)(F)F ZINC000037170204 173004136 /nfs/dbraw/zinc/00/41/36/173004136.db2.gz GOCWKCSOGWZGHN-MRVPVSSYSA-N 1 0 274.069 3.262 10 0 CGAERO C[C@@H](Nc1ccc2c(c1)CCC2)[C@@H]1CCC[N@H+](C)C1 ZINC000037209623 173031943 /nfs/dbraw/zinc/03/19/43/173031943.db2.gz INXDAAPWBTUOHL-CZUORRHYSA-N 1 0 258.409 3.318 10 0 CGAERO C[C@H]([NH2+][C@@H]1CN2CCC1CC2)c1ccc(F)cc1Cl ZINC000037211708 173033106 /nfs/dbraw/zinc/03/31/06/173033106.db2.gz DOSJWIJSXPSSPA-ZUZCIYMTSA-N 1 0 282.790 3.224 10 0 CGAERO CCc1ccc([C@@H]([NH3+])[C@H](C)n2nc(C)cc2C)cc1 ZINC000037223921 173044718 /nfs/dbraw/zinc/04/47/18/173044718.db2.gz HTABMIMPXBTYEH-BBRMVZONSA-N 1 0 257.381 3.323 10 0 CGAERO CC(=O)CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000037322888 173123202 /nfs/dbraw/zinc/12/32/02/173123202.db2.gz SHINGBATWUZTAE-UHFFFAOYSA-N 1 0 259.393 3.310 10 0 CGAERO Cc1ccc([C@H](C[NH3+])N2CCc3ccccc3C2)s1 ZINC000037328309 173128712 /nfs/dbraw/zinc/12/87/12/173128712.db2.gz PGSWVBLNVSQGST-HNNXBMFYSA-N 1 0 272.417 3.115 10 0 CGAERO CC[C@@H](C)[NH2+]CC(=O)Nc1c(C)cccc1C(C)C ZINC000037386413 173168752 /nfs/dbraw/zinc/16/87/52/173168752.db2.gz SPVBUKJUBZSJJW-CYBMUJFWSA-N 1 0 262.397 3.445 10 0 CGAERO O=C(C[NH2+]C1CCCC1)Nc1cccc(Cl)c1Cl ZINC000037386856 173169816 /nfs/dbraw/zinc/16/98/16/173169816.db2.gz HTLFZZSIXVPWSU-UHFFFAOYSA-N 1 0 287.190 3.464 10 0 CGAERO COCCc1ccc(Oc2ccccc2C[NH3+])cc1 ZINC000037429166 173199807 /nfs/dbraw/zinc/19/98/07/173199807.db2.gz FCCBWMOZXJHOMD-UHFFFAOYSA-N 1 0 257.333 3.127 10 0 CGAERO Cc1ccc2c(c1)nc([C@H]1CCCC[NH2+]1)n2C1CC1 ZINC000037438739 173209736 /nfs/dbraw/zinc/20/97/36/173209736.db2.gz KSDXOWCWHQYUIM-CYBMUJFWSA-N 1 0 255.365 3.494 10 0 CGAERO COc1ccc([C@](C)([NH3+])Cc2cccc(F)c2)cc1 ZINC000037531498 173253537 /nfs/dbraw/zinc/25/35/37/173253537.db2.gz DGNCEYMMVAMGSW-MRXNPFEDSA-N 1 0 259.324 3.251 10 0 CGAERO C[NH2+][C@@H](Cc1ccc(F)cc1)Cc1ccccc1F ZINC000037535025 173254696 /nfs/dbraw/zinc/25/46/96/173254696.db2.gz DJQGHTJDYRLWGM-HNNXBMFYSA-N 1 0 261.315 3.338 10 0 CGAERO Cc1cc(CC[NH3+])cc(C)c1OCc1cccs1 ZINC000037720260 173638102 /nfs/dbraw/zinc/63/81/02/173638102.db2.gz PRYIJSCZIWHWPI-UHFFFAOYSA-N 1 0 261.390 3.445 10 0 CGAERO CC[C@H]([NH3+])Cc1cc(Cl)ccc1OCc1ccno1 ZINC000037725990 173644493 /nfs/dbraw/zinc/64/44/93/173644493.db2.gz DXKOXQDYETWEJS-LBPRGKRZSA-N 1 0 280.755 3.187 10 0 CGAERO Cc1nccc(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)n1 ZINC000037997832 173959804 /nfs/dbraw/zinc/95/98/04/173959804.db2.gz SALSRBUTDPXFFJ-RRFJBIMHSA-N 1 0 259.397 3.234 10 0 CGAERO CC[C@H](Cc1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000038004357 173966788 /nfs/dbraw/zinc/96/67/88/173966788.db2.gz DDIQJMLAPSQJIA-GXSJLCMTSA-N 1 0 256.187 3.365 10 0 CGAERO C[C@@H](CNc1ccc(Cl)cn1)[NH+]1CCCCC1 ZINC000038029302 174019105 /nfs/dbraw/zinc/01/91/05/174019105.db2.gz OMTZRPUCTSCFLZ-NSHDSACASA-N 1 0 253.777 3.021 10 0 CGAERO CC(C)c1ccc(C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000127370747 287286500 /nfs/dbraw/zinc/28/65/00/287286500.db2.gz DYACQDKJURAWRI-KRWDZBQOSA-N 1 0 288.435 3.447 10 0 CGAERO CCC[NH2+]Cc1ccc(-n2cc(Cl)cn2)c(F)c1 ZINC000038053854 174065140 /nfs/dbraw/zinc/06/51/40/174065140.db2.gz OGHNSNOOSDXMMV-UHFFFAOYSA-N 1 0 267.735 3.164 10 0 CGAERO COc1ccc(-c2cccnc2)cc1C[NH2+]C(C)C ZINC000038069943 174080971 /nfs/dbraw/zinc/08/09/71/174080971.db2.gz PWTLXBJYQBQHAX-UHFFFAOYSA-N 1 0 256.349 3.255 10 0 CGAERO O=C(CC1CC[NH2+]CC1)Nc1cc(Cl)ccc1Cl ZINC000038074964 174084796 /nfs/dbraw/zinc/08/47/96/174084796.db2.gz PAUOAGAAVLJTAL-UHFFFAOYSA-N 1 0 287.190 3.322 10 0 CGAERO CC(C)Cc1ccc([C@H](C)N2CCC[NH2+]CC2)cc1 ZINC000038086993 174098562 /nfs/dbraw/zinc/09/85/62/174098562.db2.gz KHZNQQLBYXEGFH-HNNXBMFYSA-N 1 0 260.425 3.241 10 0 CGAERO Fc1ccccc1C1CC([NH2+]CC[C@@H]2CCCO2)C1 ZINC000038096147 174110261 /nfs/dbraw/zinc/11/02/61/174110261.db2.gz BGGOSKFILLLWIY-RUXDESIVSA-N 1 0 263.356 3.230 10 0 CGAERO CC(C)C[C@@H]([NH3+])C(=O)N(C)[C@H](C)c1cccc(Cl)c1 ZINC000038101378 174117368 /nfs/dbraw/zinc/11/73/68/174117368.db2.gz VEKKPKAQIUWSFV-BXUZGUMPSA-N 1 0 282.815 3.233 10 0 CGAERO CC1CCN([C@H](C[NH3+])c2ccccc2Cl)CC1 ZINC000038809063 174156023 /nfs/dbraw/zinc/15/60/23/174156023.db2.gz VJNUTBDPTGCBAW-CQSZACIVSA-N 1 0 252.789 3.072 10 0 CGAERO C[NH2+][C@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000039208182 174165880 /nfs/dbraw/zinc/16/58/80/174165880.db2.gz VXAFRUXZOFZTNG-KRWDZBQOSA-N 1 0 266.344 3.485 10 0 CGAERO CCCc1nc2ccccc2n1CC[NH+](CC)CC ZINC000040389718 174252166 /nfs/dbraw/zinc/25/21/66/174252166.db2.gz GKFYWPWAEMLQQU-UHFFFAOYSA-N 1 0 259.397 3.331 10 0 CGAERO COc1ccc(-c2nc(C[NH2+]C(C)C)cs2)cc1OC ZINC000040414324 174255389 /nfs/dbraw/zinc/25/53/89/174255389.db2.gz MVSYFFFDCXVXDI-UHFFFAOYSA-N 1 0 292.404 3.325 10 0 CGAERO CC(C)Cn1c2ccc(C(F)(F)F)cc2nc1CC[NH3+] ZINC000040417751 174256358 /nfs/dbraw/zinc/25/63/58/174256358.db2.gz XBPBALZVBPPTCJ-UHFFFAOYSA-N 1 0 285.313 3.212 10 0 CGAERO Cc1ccc([C@H]([NH3+])c2nc3c(s2)CCCC3)cc1 ZINC000041183948 174506648 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CCCN(CCC)c1cccc(Cl)c1C(N)=[NH2+] ZINC000052904599 521651044 /nfs/dbraw/zinc/65/10/44/521651044.db2.gz SVAUIMUGUMDQRK-UHFFFAOYSA-N 1 0 253.777 3.250 10 0 CGAERO CCCN(CCC)c1nc2c(s1)[C@@H]([NH2+]C)CCC2 ZINC000054901235 521651120 /nfs/dbraw/zinc/65/11/20/521651120.db2.gz NGDBIELGELYTKG-NSHDSACASA-N 1 0 267.442 3.366 10 0 CGAERO CC[N@@H+]1C[C@H](c2ccccc2)NC[C@@H]1Cc1ccccc1 ZINC000062671219 521730230 /nfs/dbraw/zinc/73/02/30/521730230.db2.gz GZWPFRROUDOHJV-RBUKOAKNSA-N 1 0 280.415 3.264 10 0 CGAERO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1cccc(Cl)c1 ZINC000054602274 521954381 /nfs/dbraw/zinc/95/43/81/521954381.db2.gz PIIMRIFPSMKQDB-MQVJKMGUSA-N 1 0 278.827 3.445 10 0 CGAERO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2c1ccc(F)c(C)c1 ZINC000061122758 521957530 /nfs/dbraw/zinc/95/75/30/521957530.db2.gz PYGBLZUBLYEWRY-AGUYFDCRSA-N 1 0 262.372 3.243 10 0 CGAERO C[NH2+]CC1(c2cccc(Br)c2)CCCC1 ZINC000053739302 521972769 /nfs/dbraw/zinc/97/27/69/521972769.db2.gz MTUUKXZMRXVRCB-UHFFFAOYSA-N 1 0 268.198 3.480 10 0 CGAERO C[NH2+]CC1(c2cc(Cl)ccc2OC)CCCC1 ZINC000053739021 521972833 /nfs/dbraw/zinc/97/28/33/521972833.db2.gz GLZNNABUHXMYLO-UHFFFAOYSA-N 1 0 253.773 3.380 10 0 CGAERO COCC[C@]1(C[NH2+]C2CC2)CCCc2ccccc21 ZINC000054662614 522004983 /nfs/dbraw/zinc/00/49/83/522004983.db2.gz BWCCLNJBUQARGV-KRWDZBQOSA-N 1 0 259.393 3.049 10 0 CGAERO C[NH2+]C[C@H]1C[C@]1(C)c1ccc2cc(OC)ccc2c1 ZINC000054589929 522098640 /nfs/dbraw/zinc/09/86/40/522098640.db2.gz IVVLMCQGRIPHON-NVXWUHKLSA-N 1 0 255.361 3.345 10 0 CGAERO C[NH2+]Cc1ccccc1NC(=O)C[C@@H](C)C(C)(C)C ZINC000111652893 522137226 /nfs/dbraw/zinc/13/72/26/522137226.db2.gz SICAJGLEOARFIE-GFCCVEGCSA-N 1 0 262.397 3.417 10 0 CGAERO CC[C@H](C[NH2+]C(C)(C)C)N(C)Cc1cccs1 ZINC000052456102 522188166 /nfs/dbraw/zinc/18/81/66/522188166.db2.gz WESCLQDAYKUUCO-GFCCVEGCSA-N 1 0 254.443 3.347 10 0 CGAERO CC[C@H]([NH3+])[C@@H](Sc1nnc(C)o1)c1sccc1C ZINC000051037962 522339418 /nfs/dbraw/zinc/33/94/18/522339418.db2.gz AFBOVHKBCRUPSB-GXSJLCMTSA-N 1 0 283.422 3.319 10 0 CGAERO C[NH2+][C@@H](c1ccc(OC)c(Cl)c1)C1CCOCC1 ZINC000061671591 522369983 /nfs/dbraw/zinc/36/99/83/522369983.db2.gz ZUIIAHNVLQZHBC-CQSZACIVSA-N 1 0 269.772 3.036 10 0 CGAERO C[NH2+][C@H](C)c1cnc(N(C)Cc2ccccc2)s1 ZINC000054901579 522454350 /nfs/dbraw/zinc/45/43/50/522454350.db2.gz IFVVSBKCWKCGGA-LLVKDONJSA-N 1 0 261.394 3.060 10 0 CGAERO C[NH2+][C@H](C)c1nnc(-c2cccc(Cl)c2Cl)o1 ZINC000050618323 522456220 /nfs/dbraw/zinc/45/62/20/522456220.db2.gz VFQRXDHLHLGZAF-ZCFIWIBFSA-N 1 0 272.135 3.324 10 0 CGAERO C[NH2+][C@H](CCc1ccccc1)COc1ccccc1 ZINC000054437292 522466109 /nfs/dbraw/zinc/46/61/09/522466109.db2.gz GZXSOZAKOWLWKN-MRXNPFEDSA-N 1 0 255.361 3.286 10 0 CGAERO C[NH2+][C@H](c1cc2ccccc2o1)c1cncc(F)c1 ZINC000062797735 522480590 /nfs/dbraw/zinc/48/05/90/522480590.db2.gz NCWHIMSDGOPXBK-HNNXBMFYSA-N 1 0 256.280 3.276 10 0 CGAERO C[NH2+][C@H]1CCCOc2c(C)cc(Br)cc21 ZINC000062665315 522499338 /nfs/dbraw/zinc/49/93/38/522499338.db2.gz GSCIYSCJKWSAMV-NSHDSACASA-N 1 0 270.170 3.191 10 0 CGAERO CC[C@@H](C[NH2+]C(C)(C)C)N(C)Cc1ccc(C)o1 ZINC000052455646 522543789 /nfs/dbraw/zinc/54/37/89/522543789.db2.gz UWBUCFBOJFNXLR-ZDUSSCGKSA-N 1 0 252.402 3.187 10 0 CGAERO CC[C@@H](C[NH2+]C(C)C)Oc1ccc(CCOC)cc1 ZINC000052699284 522545705 /nfs/dbraw/zinc/54/57/05/522545705.db2.gz BXPITUQYINCHMX-HNNXBMFYSA-N 1 0 265.397 3.031 10 0 CGAERO CNc1cc(C)[nH+]c2ccc(OC(F)(F)F)cc12 ZINC000050869786 522565131 /nfs/dbraw/zinc/56/51/31/522565131.db2.gz VCLQCUZGTWNFIS-UHFFFAOYSA-N 1 0 256.227 3.484 10 0 CGAERO CC[C@@H]([NH3+])Cc1noc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000054184678 522645851 /nfs/dbraw/zinc/64/58/51/522645851.db2.gz QDVCJGGYKJUPBO-SNVBAGLBSA-N 1 0 286.162 3.323 10 0 CGAERO CNc1cc[nH+]c2ccc(OCC(F)(F)F)cc12 ZINC000050843627 522671371 /nfs/dbraw/zinc/67/13/71/522671371.db2.gz VLMVHODBHIQRHY-UHFFFAOYSA-N 1 0 256.227 3.218 10 0 CGAERO CC[C@H]1CSC(N[C@H](C)c2ccc(F)cc2)=[NH+]1 ZINC000049510431 523357023 /nfs/dbraw/zinc/35/70/23/523357023.db2.gz OVBNRQSYXWFHPM-SKDRFNHKSA-N 1 0 252.358 3.358 10 0 CGAERO COCCN(C)c1cccc(Cl)c1C[NH2+]C(C)(C)C ZINC000062736989 523637671 /nfs/dbraw/zinc/63/76/71/523637671.db2.gz BOUNMRJKVOLYQI-UHFFFAOYSA-N 1 0 284.831 3.311 10 0 CGAERO COc1ccc(C)cc1C[C@@]1(C[NH3+])C[C@H]2CC[C@@H]1C2 ZINC000054634700 523815556 /nfs/dbraw/zinc/81/55/56/523815556.db2.gz JLHOABDFOKHUFE-YSVLISHTSA-N 1 0 259.393 3.311 10 0 CGAERO CC[C@H](C)N(CCOC)c1cc(Cl)ccc1C[NH3+] ZINC000062786977 523938487 /nfs/dbraw/zinc/93/84/87/523938487.db2.gz ZZHAQINJMNTSAZ-NSHDSACASA-N 1 0 270.804 3.050 10 0 CGAERO CCc1ccc([C@]2(CC)C[C@@H]2C[NH2+]CCOC)cc1 ZINC000054599113 524057270 /nfs/dbraw/zinc/05/72/70/524057270.db2.gz ILLXQVFUKACHJT-SJORKVTESA-N 1 0 261.409 3.153 10 0 CGAERO Cc1cc(C[NH2+]C2CC2)nc(C2CCC(C)CC2)n1 ZINC000054832016 524753998 /nfs/dbraw/zinc/75/39/98/524753998.db2.gz ZKJZETAGGDQEQA-UHFFFAOYSA-N 1 0 259.397 3.331 10 0 CGAERO Cc1cc(C[NH2+][C@H](C)Cc2cccs2)c(C)n1C ZINC000052790000 524776020 /nfs/dbraw/zinc/77/60/20/524776020.db2.gz ABKZCFHJGUWCTQ-LLVKDONJSA-N 1 0 262.422 3.424 10 0 CGAERO Cc1cccc([C@H](C[NH3+])Oc2cc(F)cc(F)c2)c1 ZINC000054932226 524880222 /nfs/dbraw/zinc/88/02/22/524880222.db2.gz WPLZQYMBSMILSH-HNNXBMFYSA-N 1 0 263.287 3.352 10 0 CGAERO COc1ccc(O[C@H](C[NH2+]C(C)C)C(C)C)cc1 ZINC000052676438 524990933 /nfs/dbraw/zinc/99/09/33/524990933.db2.gz IZRAPMVMIGPNDI-OAHLLOKOSA-N 1 0 251.370 3.097 10 0 CGAERO Cc1cc(F)ccc1[C@H]([NH3+])c1nc2c(s1)CCC2 ZINC000050580375 525008759 /nfs/dbraw/zinc/00/87/59/525008759.db2.gz UBACJECNKPGCMR-ZDUSSCGKSA-N 1 0 262.353 3.127 10 0 CGAERO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](Cc2ccccc2)CN1 ZINC000062671211 525015996 /nfs/dbraw/zinc/01/59/96/525015996.db2.gz GCAUIWFSWOGENO-VQIMIIECSA-N 1 0 280.415 3.092 10 0 CGAERO C[C@@H]1C[C@@H](OCc2occc2C[NH3+])CC(C)(C)C1 ZINC000052629293 525284257 /nfs/dbraw/zinc/28/42/57/525284257.db2.gz LDQXYVZMEHKFRX-DGCLKSJQSA-N 1 0 251.370 3.470 10 0 CGAERO C[C@@H](NC1=[NH+]C(C)(C)CS1)c1ccc(F)cc1 ZINC000049510435 525395497 /nfs/dbraw/zinc/39/54/97/525395497.db2.gz YVQBFNDBLCRUNO-SECBINFHSA-N 1 0 252.358 3.358 10 0 CGAERO C[C@@H]([NH2+]CCSc1cc(F)ccc1F)[C@H]1CCCO1 ZINC000053622233 525455341 /nfs/dbraw/zinc/45/53/41/525455341.db2.gz MAAMXBKKRQQOQP-ZWNOBZJWSA-N 1 0 287.375 3.214 10 0 CGAERO C[C@@H]([NH2+][C@@H]1CCCCC[C@@H]1O)c1cccc(F)c1 ZINC000049529891 525632697 /nfs/dbraw/zinc/63/26/97/525632697.db2.gz OKDGDPVLUBROBM-DFBGVHRSSA-N 1 0 251.345 3.170 10 0 CGAERO C[C@@]([NH3+])(C(=O)Nc1ccccc1Cl)c1ccccc1 ZINC000052881172 525748409 /nfs/dbraw/zinc/74/84/09/525748409.db2.gz WRVRVWYWONSKQL-HNNXBMFYSA-N 1 0 274.751 3.153 10 0 CGAERO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+](C)CC1CCCC1 ZINC000069227742 526098031 /nfs/dbraw/zinc/09/80/31/526098031.db2.gz FXYVKZHAKLBXDI-LSDHHAIUSA-N 1 0 288.435 3.374 10 0 CGAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000089162984 526309045 /nfs/dbraw/zinc/30/90/45/526309045.db2.gz FRBXJWJPTHTKDS-ZFWWWQNUSA-N 1 0 288.416 3.061 10 0 CGAERO CC(C)(C)NC(=O)C[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000132762419 526313824 /nfs/dbraw/zinc/31/38/24/526313824.db2.gz OAYQAUBNTANLMS-INIZCTEOSA-N 1 0 288.435 3.204 10 0 CGAERO c1ccc(CC[N@@H+]2CCCN[C@H](c3ccccc3)C2)cc1 ZINC000062671255 526465442 /nfs/dbraw/zinc/46/54/42/526465442.db2.gz WJEHTEQNVCNOQV-IBGZPJMESA-N 1 0 280.415 3.266 10 0 CGAERO O=C(CC[C@@H]1CCCC[NH2+]1)Nc1cccc(Cl)c1F ZINC000050941068 526547861 /nfs/dbraw/zinc/54/78/61/526547861.db2.gz MJLAUQLOGLTIBB-JTQLQIEISA-N 1 0 284.762 3.340 10 0 CGAERO NC(=[NH2+])c1ccc(N2CCc3sccc3C2)cc1Cl ZINC000061856385 526822900 /nfs/dbraw/zinc/82/29/00/526822900.db2.gz VLFJUQSOKVSOKF-UHFFFAOYSA-N 1 0 291.807 3.248 10 0 CGAERO Cc1nc([C@@H]([NH3+])c2ccc(F)cc2C)sc1C ZINC000050580358 527037080 /nfs/dbraw/zinc/03/70/80/527037080.db2.gz RHMDPRCKDKJJAK-LBPRGKRZSA-N 1 0 250.342 3.256 10 0 CGAERO O=C(Nc1ccc(F)c(Cl)c1)c1ccc2c(c1)C[NH2+]C2 ZINC000156650075 527192741 /nfs/dbraw/zinc/19/27/41/527192741.db2.gz MVHQDSRTBCZJRY-UHFFFAOYSA-N 1 0 290.725 3.335 10 0 CGAERO [NH3+]CCc1csc(-c2ccc(Cl)cc2F)n1 ZINC000062786712 527197797 /nfs/dbraw/zinc/19/77/97/527197797.db2.gz OWVSMVUQQIYZND-UHFFFAOYSA-N 1 0 256.733 3.104 10 0 CGAERO [NH3+]CCc1csc(-c2cccc(Cl)c2F)n1 ZINC000062606603 527197966 /nfs/dbraw/zinc/19/79/66/527197966.db2.gz GGOWSYQDDGJPHG-UHFFFAOYSA-N 1 0 256.733 3.104 10 0 CGAERO Cc1nc[nH]c1C[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000054797213 527214688 /nfs/dbraw/zinc/21/46/88/527214688.db2.gz DUZBBSCDRVOSSA-VIFPVBQESA-N 1 0 294.196 3.331 10 0 CGAERO [NH3+]C[C@H](CCOCC(F)(F)F)Cc1cccc(Cl)c1 ZINC000052948032 527225294 /nfs/dbraw/zinc/22/52/94/527225294.db2.gz ANKYYPHUPVPKKM-LLVKDONJSA-N 1 0 295.732 3.426 10 0 CGAERO [NH3+]Cc1ccc(N2CCc3ccccc32)cc1Cl ZINC000061845548 527256716 /nfs/dbraw/zinc/25/67/16/527256716.db2.gz OKRXGHNSWAOUBM-UHFFFAOYSA-N 1 0 258.752 3.493 10 0 CGAERO [NH3+]Cc1coc(COc2ccc(C(F)(F)F)cc2)c1 ZINC000052599922 527264268 /nfs/dbraw/zinc/26/42/68/527264268.db2.gz MHSSPEHQMDRSBM-UHFFFAOYSA-N 1 0 271.238 3.336 10 0 CGAERO [NH3+]Cc1ncccc1CSc1cccc(Cl)c1 ZINC000061658124 527266861 /nfs/dbraw/zinc/26/68/61/527266861.db2.gz ANVNFJDXDIXZFQ-UHFFFAOYSA-N 1 0 264.781 3.486 10 0 CGAERO [NH3+][C@@H](Cc1cc(F)cc(F)c1)c1ccccc1F ZINC000052898208 527334482 /nfs/dbraw/zinc/33/44/82/527334482.db2.gz BVAQJRTYXISRHP-AWEZNQCLSA-N 1 0 251.251 3.346 10 0 CGAERO [NH3+][C@@H](Cc1ccccc1Br)c1ccco1 ZINC000054446337 527337792 /nfs/dbraw/zinc/33/77/92/527337792.db2.gz OMYLNIXWODJRBR-NSHDSACASA-N 1 0 266.138 3.285 10 0 CGAERO [NH3+][C@H](c1ccc2ccccc2n1)c1ccccc1F ZINC000063075894 527390772 /nfs/dbraw/zinc/39/07/72/527390772.db2.gz URHHNQADUBLUTH-INIZCTEOSA-N 1 0 252.292 3.422 10 0 CGAERO FC(F)(F)c1ccc2oc([C@@H]3CCC[NH2+]3)nc2c1 ZINC000062537760 527684161 /nfs/dbraw/zinc/68/41/61/527684161.db2.gz AONMLWSXYOTLEJ-QMMMGPOBSA-N 1 0 256.227 3.271 10 0 CGAERO CCC(O)(CC)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000165199526 528965702 /nfs/dbraw/zinc/96/57/02/528965702.db2.gz YLPFEWNLLZRZBK-UHFFFAOYSA-N 1 0 296.842 3.013 10 0 CGAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000177697070 529099563 /nfs/dbraw/zinc/09/95/63/529099563.db2.gz QJDQUCNEGXNMKL-KBPBESRZSA-N 1 0 293.455 3.449 10 0 CGAERO CC(C)[C@@H]1C[NH2+]CCN1c1cccc(Cl)c1Cl ZINC000083536542 535264878 /nfs/dbraw/zinc/26/48/78/535264878.db2.gz OACRGBDZUZBQFO-LBPRGKRZSA-N 1 0 273.207 3.428 10 0 CGAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1c1cc(F)ccc1F ZINC000083510442 535825418 /nfs/dbraw/zinc/82/54/18/535825418.db2.gz GRTODXRYDCULSB-TZMCWYRMSA-N 1 0 268.351 3.178 10 0 CGAERO CC1(C)CSC[C@]2(C1)[NH2+]CCc1ccsc12 ZINC000712545288 567851589 /nfs/dbraw/zinc/85/15/89/567851589.db2.gz LUSLMQPMVPDXMR-ZDUSSCGKSA-N 1 0 253.436 3.252 10 0 CGAERO CC(C)[C@@H]1[NH2+][C@@]2(CCCSC2)OCC12CCC2 ZINC000757147690 617806924 /nfs/dbraw/zinc/80/69/24/617806924.db2.gz SOIFGNLAUVFXFI-JSGCOSHPSA-N 1 0 255.427 3.024 10 0 CGAERO C[C@H](C1CC1)N(C(=O)OC(C)(C)C)c1ccc(C[NH3+])nc1 ZINC000757131886 617754828 /nfs/dbraw/zinc/75/48/28/617754828.db2.gz AOEWZISQAVMLOL-LLVKDONJSA-N 1 0 291.395 3.080 10 0 CGAERO O=C(C[C@@H]1C=CCC1)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000247039754 617810887 /nfs/dbraw/zinc/81/08/87/617810887.db2.gz IWLOCQKBPPUTBH-WBVHZDCISA-N 1 0 285.387 3.160 10 0 CGAERO Cc1cc(C[C@@H](O)C[NH2+]Cc2ccccc2)ccc1Cl ZINC000757155479 617820678 /nfs/dbraw/zinc/82/06/78/617820678.db2.gz DEBXPUUMTMFAJK-MRXNPFEDSA-N 1 0 289.806 3.342 10 0 CGAERO C([NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)C1CCCCCCC1 ZINC000261937399 618217366 /nfs/dbraw/zinc/21/73/66/618217366.db2.gz MLDAPCPZYBBMCG-KSZLIROESA-N 1 0 294.483 3.094 10 0 CGAERO [NH3+]C[C@H]1CCCC[C@H]1c1nc(-c2cccs2)no1 ZINC000089383345 618315344 /nfs/dbraw/zinc/31/53/44/618315344.db2.gz NUPCYBLZIFIMQX-NXEZZACHSA-N 1 0 263.366 3.031 10 0 CGAERO Cc1cc(C[NH2+][C@@H]2CCOc3ccccc32)sn1 ZINC000404480720 618509681 /nfs/dbraw/zinc/50/96/81/618509681.db2.gz WEKCBKCKFYKDKZ-CYBMUJFWSA-N 1 0 260.362 3.065 10 0 CGAERO Cc1cc2sc(N3CCC(C[NH3+])CC3)nc2c(C)c1 ZINC000062202219 618630243 /nfs/dbraw/zinc/63/02/43/618630243.db2.gz GVMVKTASIVMFEZ-UHFFFAOYSA-N 1 0 275.421 3.088 10 0 CGAERO CC[C@@H]1CC[N@H+](C[C@H](O)c2cc3ccccc3o2)C1 ZINC000161749564 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CC[C@H](C)c1noc([C@@H](C)[C@@H]([NH3+])c2ccccc2)n1 ZINC000229099346 623099740 /nfs/dbraw/zinc/09/97/40/623099740.db2.gz AFJQETGAVNJPNX-GMXVVIOVSA-N 1 0 259.353 3.387 10 0 CGAERO CC(C)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000089148039 623573893 /nfs/dbraw/zinc/57/38/93/623573893.db2.gz UMAJLHPFEOSNBH-BFHYXJOUSA-N 1 0 284.444 3.314 10 0 CGAERO [NH3+]C[C@@H]1CCCC[C@@H]1c1nc(-c2ccsc2)no1 ZINC000089383480 623735754 /nfs/dbraw/zinc/73/57/54/623735754.db2.gz GCVDAAUOCAWYCV-ONGXEEELSA-N 1 0 263.366 3.031 10 0 CGAERO CCCCC[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000083799106 625710364 /nfs/dbraw/zinc/71/03/64/625710364.db2.gz BXUALBOLEJGUFE-AWEZNQCLSA-N 1 0 284.444 3.413 10 0 CGAERO CCSc1ccc(-c2noc([C@@H]3CCC[NH2+]3)n2)cc1 ZINC000233835087 624648987 /nfs/dbraw/zinc/64/89/87/624648987.db2.gz JRHKPBOTBHRURI-LBPRGKRZSA-N 1 0 275.377 3.273 10 0 CGAERO O[C@H]1CCC[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000085125947 625796171 /nfs/dbraw/zinc/79/61/71/625796171.db2.gz 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ZINC000083587342 178595896 /nfs/dbraw/zinc/59/58/96/178595896.db2.gz WWOSKHNNGOXCJC-DLBZAZTESA-N 1 0 278.415 3.077 10 0 CGAERO CCC(=O)c1ccc(OC)c2c1[C@@H]([NH+](C)C)CCC2 ZINC000001998441 344857342 /nfs/dbraw/zinc/85/73/42/344857342.db2.gz GLYPLLJSSGKHDT-ZDUSSCGKSA-N 1 0 261.365 3.227 10 0 CGAERO COc1ccc(C(=O)CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000013729915 344880898 /nfs/dbraw/zinc/88/08/98/344880898.db2.gz SOBSFPZFIBOWGB-UHFFFAOYSA-N 1 0 287.403 3.390 10 0 CGAERO c1cncc(Cc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000013805438 344880957 /nfs/dbraw/zinc/88/09/57/344880957.db2.gz KAFCMTIBCAFDTA-UHFFFAOYSA-N 1 0 282.387 3.147 10 0 CGAERO CC(C)[NH2+]CCC(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000037618688 344952167 /nfs/dbraw/zinc/95/21/67/344952167.db2.gz ZNILHQGHUAYAEZ-CQSZACIVSA-N 1 0 276.424 3.375 10 0 CGAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)CC12CC3CC(CC(C3)C1)C2 ZINC000037809806 344953135 /nfs/dbraw/zinc/95/31/35/344953135.db2.gz MIOJANQHQDHLPR-ZHGJIWRESA-N 1 0 292.467 3.035 10 0 CGAERO c1ccc(COc2ccc(NC3CC[NH2+]CC3)cc2)cc1 ZINC000038980771 344957203 /nfs/dbraw/zinc/95/72/03/344957203.db2.gz LNILTKDZEBQMTI-UHFFFAOYSA-N 1 0 282.387 3.430 10 0 CGAERO COc1cccc([C@]2(CCC[NH+](C)C)CCCC2=O)c1 ZINC000039306859 344959286 /nfs/dbraw/zinc/95/92/86/344959286.db2.gz NWYHKEDTJXNXSX-QGZVFWFLSA-N 1 0 275.392 3.028 10 0 CGAERO COc1ccc(Cl)cc1-c1cccc2c1O[C@@H](C[NH3+])C2 ZINC000034548933 344940367 /nfs/dbraw/zinc/94/03/67/344940367.db2.gz COJLAWVRHDODKA-GFCCVEGCSA-N 1 0 289.762 3.278 10 0 CGAERO O[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2Cl)C1 ZINC000037164852 344948221 /nfs/dbraw/zinc/94/82/21/344948221.db2.gz KCVNNVBLGFTAAP-NWDGAFQWSA-N 1 0 274.191 3.387 10 0 CGAERO COc1ccc2cc(C[NH2+][C@H]3CCC[C@H](O)C3)ccc2c1 ZINC000037164198 344948292 /nfs/dbraw/zinc/94/82/92/344948292.db2.gz PCENWNJJSHCUJO-IRXDYDNUSA-N 1 0 285.387 3.242 10 0 CGAERO CCCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)cc1 ZINC000037163788 344948305 /nfs/dbraw/zinc/94/83/05/344948305.db2.gz XXPHVPBTVOEQII-HZPDHXFCSA-N 1 0 277.408 3.259 10 0 CGAERO CS[C@@H](c1cc(Br)cs1)[C@@H](C)[NH3+] ZINC000043291104 344996787 /nfs/dbraw/zinc/99/67/87/344996787.db2.gz BXKJQDSPLDXNJD-SVGQVSJJSA-N 1 0 266.229 3.262 10 0 CGAERO C[C@@H](NC(=O)CC[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000043591214 345001606 /nfs/dbraw/zinc/00/16/06/345001606.db2.gz TYZLNHWMZLULHB-OLZOCXBDSA-N 1 0 294.826 3.297 10 0 CGAERO C[N@H+](CCCCc1ccccc1)C[C@H](O)COC(C)(C)C ZINC000052037480 345096708 /nfs/dbraw/zinc/09/67/08/345096708.db2.gz DYAQQRRXCACJID-KRWDZBQOSA-N 1 0 293.451 3.117 10 0 CGAERO CCc1nc2ccccc2n1CC[NH2+]Cc1ccccc1 ZINC000062136875 345237680 /nfs/dbraw/zinc/23/76/80/345237680.db2.gz GGXHLXLRLRYFTG-UHFFFAOYSA-N 1 0 279.387 3.389 10 0 CGAERO CC[C@H]([NH3+])c1cc(F)c(Br)cc1F ZINC000070022653 345387829 /nfs/dbraw/zinc/38/78/29/345387829.db2.gz RMLWTNRIEBGAQZ-VIFPVBQESA-N 1 0 250.086 3.137 10 0 CGAERO [NH3+]Cc1cccc(-c2occc2Br)c1 ZINC000068980677 345369992 /nfs/dbraw/zinc/36/99/92/345369992.db2.gz HIXXLDMXKTXTRI-UHFFFAOYSA-N 1 0 252.111 3.168 10 0 CGAERO CCn1cc([C@H](C)[NH2+][C@@H]2CCOc3ccccc32)cn1 ZINC000044497544 232171819 /nfs/dbraw/zinc/17/18/19/232171819.db2.gz GGDMXNHZZWPANT-SWLSCSKDSA-N 1 0 271.364 3.077 10 0 CGAERO c1cnn(CCCCC[N@@H+]2CCC[C@H]2c2ccco2)c1 ZINC000116290285 232183856 /nfs/dbraw/zinc/18/38/56/232183856.db2.gz IEPMKMRDRIKNSF-HNNXBMFYSA-N 1 0 273.380 3.484 10 0 CGAERO CC(C)C(=[NH2+])NCc1cc(Br)cs1 ZINC000070600959 345392806 /nfs/dbraw/zinc/39/28/06/345392806.db2.gz BUKGJKPYZAFGSV-UHFFFAOYSA-N 1 0 261.188 3.233 10 0 CGAERO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)C(C)C ZINC000078606821 345615600 /nfs/dbraw/zinc/61/56/00/345615600.db2.gz FCHOJGMNGDUBID-SOUVJXGZSA-N 1 0 276.424 3.195 10 0 CGAERO CCOC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000085133737 345744508 /nfs/dbraw/zinc/74/45/08/345744508.db2.gz VHJOLGKEWOCEFX-GARJFASQSA-N 1 0 253.308 3.122 10 0 CGAERO C[C@@H]([NH3+])c1cc2ccsc2nc1-c1ccccn1 ZINC000113387595 345960964 /nfs/dbraw/zinc/96/09/64/345960964.db2.gz ZLCDQYZKFIMIGI-SECBINFHSA-N 1 0 255.346 3.378 10 0 CGAERO C[C@@H]([NH2+]Cc1ccnc2ccccc12)c1ccccn1 ZINC000111763257 345951200 /nfs/dbraw/zinc/95/12/00/345951200.db2.gz WZOQDVOKCGHXMW-CYBMUJFWSA-N 1 0 263.344 3.481 10 0 CGAERO O=C(Nc1ccccc1)Nc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC000117723054 345985777 /nfs/dbraw/zinc/98/57/77/345985777.db2.gz FILGYOAPMPEHCJ-AWEZNQCLSA-N 1 0 281.359 3.408 10 0 CGAERO CC[C@H](O)CC[NH2+][C@@H](Cc1ccccc1OC)C(C)C ZINC000128308237 187362635 /nfs/dbraw/zinc/36/26/35/187362635.db2.gz VQTPFYWGCMCOFG-HOTGVXAUSA-N 1 0 279.424 3.013 10 0 CGAERO C[NH2+][C@@H]1CSC[C@@H]1Cc1ccc(Br)s1 ZINC000134584850 346083219 /nfs/dbraw/zinc/08/32/19/346083219.db2.gz QZYKKDOGFJXIDG-IONNQARKSA-N 1 0 292.267 3.004 10 0 CGAERO C[NH2+][C@@H]1CSC[C@H]1Cc1cc(Br)cs1 ZINC000134586096 346083322 /nfs/dbraw/zinc/08/33/22/346083322.db2.gz RCNROMDXEDCIJI-GMSGAONNSA-N 1 0 292.267 3.004 10 0 CGAERO C[C@H]1CC[NH2+]C[C@H]1Cc1sccc1Br ZINC000135529724 346088126 /nfs/dbraw/zinc/08/81/26/346088126.db2.gz PMCOLCVASWUNDK-DTWKUNHWSA-N 1 0 274.227 3.299 10 0 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OC[C@H]1CCCC[C@@H]1[NH2+]C1CC(c2ccccc2F)C1 ZINC000127616076 138390067 /nfs/dbraw/zinc/39/00/67/138390067.db2.gz DUAIGESSUSBLBH-WNZJFKNXSA-N 1 0 277.383 3.212 10 0 CGAERO Cc1ccc(F)cc1NC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000130077555 138398979 /nfs/dbraw/zinc/39/89/79/138398979.db2.gz GTTIRTOZRGMRSR-MLGOLLRUSA-N 1 0 286.350 3.409 10 0 CGAERO C[C@H]1CC([NH2+]Cc2ncc(-c3ccccc3)cn2)C[C@H](C)O1 ZINC000185873707 138438347 /nfs/dbraw/zinc/43/83/47/138438347.db2.gz JQQBQXRMJBAGTO-KBPBESRZSA-N 1 0 297.402 3.189 10 0 CGAERO C[C@H](Cc1ccccc1F)[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000245836599 138526679 /nfs/dbraw/zinc/52/66/79/138526679.db2.gz CRYNCTCOCNBDTP-CUBALJKWSA-N 1 0 277.383 3.160 10 0 CGAERO C[C@H](C(=O)Nc1cccc(Nc2ccccc2)c1)C1C[NH2+]C1 ZINC000262261626 138560778 /nfs/dbraw/zinc/56/07/78/138560778.db2.gz UNKVLDOZMCRTHZ-ZDUSSCGKSA-N 1 0 295.386 3.224 10 0 CGAERO Clc1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CCOC2)c(Cl)c1 ZINC000177712568 189065254 /nfs/dbraw/zinc/06/52/54/189065254.db2.gz IAEQHALRCGZLAH-UFGOTCBOSA-N 1 0 286.202 3.475 10 0 CGAERO C[C@@H](COCc1ccccc1)[NH2+][C@@H](C)c1ccccn1 ZINC000179474527 189196607 /nfs/dbraw/zinc/19/66/07/189196607.db2.gz YEFSVJHAFLQZFV-GJZGRUSLSA-N 1 0 270.376 3.338 10 0 CGAERO COCc1ccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)cc1 ZINC000180125301 189238924 /nfs/dbraw/zinc/23/89/24/189238924.db2.gz FWXSVEIKBUMJKE-GOSISDBHSA-N 1 0 299.418 3.003 10 0 CGAERO CCCCc1ccc([C@H](C)[NH2+][C@@H]2CCc3ncnn3C2)cc1 ZINC000180578648 189262929 /nfs/dbraw/zinc/26/29/29/189262929.db2.gz KLROYWXIWYARIV-WMLDXEAASA-N 1 0 298.434 3.286 10 0 CGAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000237873087 283629818 /nfs/dbraw/zinc/62/98/18/283629818.db2.gz PQWVWMQIKBVCRD-ROUUACIJSA-N 1 0 292.382 3.324 10 0 CGAERO CC(C)N1C[C@H]([NH2+][C@@H](C)c2ccc(Cl)nc2)[C@@H](C)C1 ZINC000181284248 189292993 /nfs/dbraw/zinc/29/29/93/189292993.db2.gz BSCNJWPENUREFL-OBJOEFQTSA-N 1 0 281.831 3.114 10 0 CGAERO Cc1cccc2c(N(C)C3CCOCC3)cc[nH+]c12 ZINC000301641053 201109548 /nfs/dbraw/zinc/10/95/48/201109548.db2.gz BHWSMQWVHDFXHQ-UHFFFAOYSA-N 1 0 256.349 3.158 10 0 CGAERO CCCc1nnc(NC[C@H]2CCC[N@@H+]2CC(C)C)s1 ZINC000301778673 201191574 /nfs/dbraw/zinc/19/15/74/201191574.db2.gz QGTZGKKGTMODSD-GFCCVEGCSA-N 1 0 282.457 3.023 10 0 CGAERO CCn1cnnc1[C@@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC000119826846 370713732 /nfs/dbraw/zinc/71/37/32/370713732.db2.gz PAEPGDPXLJWXKB-MRXNPFEDSA-N 1 0 290.455 3.448 10 0 CGAERO CCn1nc(C)c([C@H](C)[NH2+]Cc2sc(C)nc2C)c1C ZINC000119885458 370718868 /nfs/dbraw/zinc/71/88/68/370718868.db2.gz ADLSGJVYNQSTEW-JTQLQIEISA-N 1 0 292.452 3.444 10 0 CGAERO Fc1c(Cl)cccc1C[NH2+]C[C@@H]1CCc2nccn2C1 ZINC000275606766 193085236 /nfs/dbraw/zinc/08/52/36/193085236.db2.gz QRKAVDQYFWVLNE-NSHDSACASA-N 1 0 293.773 3.028 10 0 CGAERO O=C(C[NH2+]C1(C2CCC2)CCC1)Nc1cccc(F)c1 ZINC000459782822 242233031 /nfs/dbraw/zinc/23/30/31/242233031.db2.gz YEWZRCNKUFWLBH-UHFFFAOYSA-N 1 0 276.355 3.077 10 0 CGAERO Cc1ccc(C[NH+]2CCC(Cc3nccn3C)CC2)s1 ZINC000121767846 370892690 /nfs/dbraw/zinc/89/26/90/370892690.db2.gz JLSWDDRFRHIQGB-UHFFFAOYSA-N 1 0 289.448 3.245 10 0 CGAERO [NH3+]Cc1nc(-c2cccc(Br)c2)cs1 ZINC000003709651 368517353 /nfs/dbraw/zinc/51/73/53/368517353.db2.gz XGRKXATUTBPSHQ-UHFFFAOYSA-N 1 0 269.167 3.031 10 0 CGAERO CCC[N@H+](C)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 ZINC000013741752 368664570 /nfs/dbraw/zinc/66/45/70/368664570.db2.gz LJZGVNXOVBOMKA-AWEZNQCLSA-N 1 0 270.376 3.180 10 0 CGAERO Oc1cc2c(cc1Cl)CC[NH2+][C@H]2c1ccccc1 ZINC000013739904 368665419 /nfs/dbraw/zinc/66/54/19/368665419.db2.gz VXQGSKLYCJFAKI-HNNXBMFYSA-N 1 0 259.736 3.281 10 0 CGAERO O[C@@]12CCCC[C@@H]1[C@@H](c1cccc(Cl)c1)[NH2+]CC2 ZINC000015636418 368700011 /nfs/dbraw/zinc/70/00/11/368700011.db2.gz XYHROWNMYDANFB-RBSFLKMASA-N 1 0 265.784 3.296 10 0 CGAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccc2c(c1)CCC2 ZINC000020208828 368805238 /nfs/dbraw/zinc/80/52/38/368805238.db2.gz LQIYMCRPBLDUQD-DCGLDWPTSA-N 1 0 259.393 3.393 10 0 CGAERO Cc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c(C)c1 ZINC000024276476 368830813 /nfs/dbraw/zinc/83/08/13/368830813.db2.gz WNSDWTKQQZSBPZ-SFHVURJKSA-N 1 0 296.414 3.336 10 0 CGAERO Fc1ccc([C@@H]2C[C@@H](N3CC[NH2+]CC3)c3ccccc32)cc1 ZINC000026377350 368858335 /nfs/dbraw/zinc/85/83/35/368858335.db2.gz IEXNAGAJXPUXLE-RBUKOAKNSA-N 1 0 296.389 3.308 10 0 CGAERO Oc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccccc1)CC2 ZINC000028865421 368890633 /nfs/dbraw/zinc/89/06/33/368890633.db2.gz MLXBRVYRFLILJN-INIZCTEOSA-N 1 0 253.345 3.039 10 0 CGAERO COc1ccc(Sc2ccc(NC3=[NH+]CCN3)cc2)cc1 ZINC000026004319 368854464 /nfs/dbraw/zinc/85/44/64/368854464.db2.gz UOOXLFWNTJCBFC-UHFFFAOYSA-N 1 0 299.399 3.218 10 0 CGAERO CC[NH2+]Cc1cc(Cl)c(OC(C)C)c(OC)c1 ZINC000034652264 368976856 /nfs/dbraw/zinc/97/68/56/368976856.db2.gz JRBNLEPERFCRIL-UHFFFAOYSA-N 1 0 257.761 3.245 10 0 CGAERO CC[C@@H](C)Oc1ccc(Br)cc1C[NH3+] ZINC000034957925 368982678 /nfs/dbraw/zinc/98/26/78/368982678.db2.gz JWHXQOZKOMVJMT-MRVPVSSYSA-N 1 0 258.159 3.085 10 0 CGAERO CCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000036959526 369043080 /nfs/dbraw/zinc/04/30/80/369043080.db2.gz MYCVAIUDIMXCFV-ZJUUUORDSA-N 1 0 286.778 3.044 10 0 CGAERO COc1ccc(C[NH2+][C@H]2CCOc3ccccc32)cc1F ZINC000037496181 369085606 /nfs/dbraw/zinc/08/56/06/369085606.db2.gz SJDWYYBMSSWDID-HNNXBMFYSA-N 1 0 287.334 3.448 10 0 CGAERO C[C@H](NC(=O)C1([NH3+])CCCC1)c1ccc2c(c1)CCCC2 ZINC000037616590 369091829 /nfs/dbraw/zinc/09/18/29/369091829.db2.gz LSYGBTIYTAJYMS-ZDUSSCGKSA-N 1 0 286.419 3.014 10 0 CGAERO C[C@H]([NH2+]CCC1(C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000492748166 244017785 /nfs/dbraw/zinc/01/77/85/244017785.db2.gz NLRCJXIJNWFGIU-KBPBESRZSA-N 1 0 296.455 3.412 10 0 CGAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2F)C1 ZINC000040502326 369158452 /nfs/dbraw/zinc/15/84/52/369158452.db2.gz SXJLDVDHHKQHOJ-WCQYABFASA-N 1 0 268.351 3.100 10 0 CGAERO CC[N@@H+]1CCC[C@@H](Nc2ncc(Cl)cc2Cl)C1 ZINC000040503246 369159731 /nfs/dbraw/zinc/15/97/31/369159731.db2.gz AJNIMHVIMVIOOJ-SNVBAGLBSA-N 1 0 274.195 3.285 10 0 CGAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000042337313 369214654 /nfs/dbraw/zinc/21/46/54/369214654.db2.gz VTBJFYLQQCCUAZ-KBPBESRZSA-N 1 0 276.424 3.339 10 0 CGAERO CCOC(=O)CC[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000045686827 369285281 /nfs/dbraw/zinc/28/52/81/369285281.db2.gz QPGNNKOGDSIKBC-AWEZNQCLSA-N 1 0 293.407 3.325 10 0 CGAERO c1[nH]nc(-c2cc3ccccc3o2)c1C[NH2+]C1CC1 ZINC000049021050 369382812 /nfs/dbraw/zinc/38/28/12/369382812.db2.gz DRFPUEHXTCYGTI-UHFFFAOYSA-N 1 0 253.305 3.075 10 0 CGAERO CC(C)C[C@@H](CN(C)C)[NH2+]Cc1ccc2ncccc2c1 ZINC000049556052 369409254 /nfs/dbraw/zinc/40/92/54/369409254.db2.gz MFBMFBOIDHFBCY-KRWDZBQOSA-N 1 0 285.435 3.301 10 0 CGAERO C[C@H]1C[C@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000052287623 369467763 /nfs/dbraw/zinc/46/77/63/369467763.db2.gz QQIPRVAHHZBOTE-WRWORJQWSA-N 1 0 258.134 3.086 10 0 CGAERO Cc1cc(C)c(C[N@@H+]2CCC[C@H]2CCCO)c(C)c1 ZINC000053301757 369481895 /nfs/dbraw/zinc/48/18/95/369481895.db2.gz LGGNYLDHPFVZDQ-INIZCTEOSA-N 1 0 261.409 3.349 10 0 CGAERO Cc1ccc([C@H]2C[N@H+](Cc3ccccc3)CCN2)cc1 ZINC000056894841 369528180 /nfs/dbraw/zinc/52/81/80/369528180.db2.gz QTTQKWXGHVXWBC-GOSISDBHSA-N 1 0 266.388 3.142 10 0 CGAERO C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)c1csc(Cl)c1 ZINC000276338794 193291789 /nfs/dbraw/zinc/29/17/89/193291789.db2.gz JNOOTWSSRDHMQM-PSASIEDQSA-N 1 0 261.818 3.459 10 0 CGAERO CCCCCCOC[C@H](O)C[NH2+][C@@H](C)CCC(C)C ZINC000070185081 369788135 /nfs/dbraw/zinc/78/81/35/369788135.db2.gz JIZFQFKZLSFZQF-JKSUJKDBSA-N 1 0 273.461 3.359 10 0 CGAERO CC(C)c1ccc([C@H](C)NC(=O)C2CC[NH+](C)CC2)cc1 ZINC000072812583 369839454 /nfs/dbraw/zinc/83/94/54/369839454.db2.gz NRTQJROFNFTRHJ-AWEZNQCLSA-N 1 0 288.435 3.329 10 0 CGAERO CCO[C@](C)(c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000082313440 370001210 /nfs/dbraw/zinc/00/12/10/370001210.db2.gz LQKVIHODEXNDCU-OAHLLOKOSA-N 1 0 251.345 3.077 10 0 CGAERO Clc1nc2ccccc2nc1OCC[C@H]1CCCC[NH2+]1 ZINC000095070474 370170035 /nfs/dbraw/zinc/17/00/35/370170035.db2.gz GQWUACWEUGJZEG-LLVKDONJSA-N 1 0 291.782 3.194 10 0 CGAERO C[NH2+][C@H]1CCOC[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000095075897 370170936 /nfs/dbraw/zinc/17/09/36/370170936.db2.gz GTZXEUCCTLJKMX-MFKMUULPSA-N 1 0 274.191 3.160 10 0 CGAERO C[NH2+][C@H]1CCOC[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000095075895 370171150 /nfs/dbraw/zinc/17/11/50/370171150.db2.gz GTZXEUCCTLJKMX-GWCFXTLKSA-N 1 0 274.191 3.160 10 0 CGAERO CC(C)[NH2+][C@H]1CCOC[C@@H]1Cc1cccc(Cl)c1 ZINC000095088446 370172232 /nfs/dbraw/zinc/17/22/32/370172232.db2.gz MMMZYPADAAXMMN-ZFWWWQNUSA-N 1 0 267.800 3.286 10 0 CGAERO C[C@@H](NC1CC[NH+](CC2CCCC2)CC1)c1nccs1 ZINC000093403285 370124439 /nfs/dbraw/zinc/12/44/39/370124439.db2.gz XVPJAWMNFNKXDZ-CYBMUJFWSA-N 1 0 293.480 3.448 10 0 CGAERO CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H]1CCCC[C@@H]1[NH3+] ZINC000093492722 370135904 /nfs/dbraw/zinc/13/59/04/370135904.db2.gz JZPMFGVTNULNBY-MELADBBJSA-N 1 0 282.428 3.294 10 0 CGAERO CC(C)c1csc([C@H]2CCC[N@H+](Cc3cnc[nH]3)C2)n1 ZINC000093612975 370147967 /nfs/dbraw/zinc/14/79/67/370147967.db2.gz DMZRAUSUPXWMMM-LBPRGKRZSA-N 1 0 290.436 3.369 10 0 CGAERO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cncs2)C12CCCC2 ZINC000093610981 370148697 /nfs/dbraw/zinc/14/86/97/370148697.db2.gz OGAGAJLIDXNYKO-KGLIPLIRSA-N 1 0 280.437 3.313 10 0 CGAERO CC(C)c1csc(NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)n1 ZINC000101631908 370292968 /nfs/dbraw/zinc/29/29/68/370292968.db2.gz ZTITYXDNQZNYSJ-UTUOFQBUSA-N 1 0 295.452 3.466 10 0 CGAERO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000104134040 370338555 /nfs/dbraw/zinc/33/85/55/370338555.db2.gz ROMZVIRDDAFTCV-OAHLLOKOSA-N 1 0 294.826 3.173 10 0 CGAERO C[C@@H]([NH2+]C[C@H]1CCN(C)c2ccccc21)c1cccnc1 ZINC000112533983 370430377 /nfs/dbraw/zinc/43/03/77/370430377.db2.gz SBGSZMSJHXOFQF-GDBMZVCRSA-N 1 0 281.403 3.356 10 0 CGAERO CC[C@H]([NH2+][C@@H](C)c1ccc(OCCC(C)C)cc1)C(N)=O ZINC000112540292 370431626 /nfs/dbraw/zinc/43/16/26/370431626.db2.gz XPYUWMKXJZOWQW-BBRMVZONSA-N 1 0 292.423 3.026 10 0 CGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc2ccccc2c1 ZINC000113223459 370469206 /nfs/dbraw/zinc/46/92/06/370469206.db2.gz SSVVXZJLRWSQEV-RDTXWAMCSA-N 1 0 294.398 3.149 10 0 CGAERO Cn1cc([C@H]2CC[N@@H+]([C@@H]3CCCc4ccccc43)C2)cn1 ZINC000116319279 370557080 /nfs/dbraw/zinc/55/70/80/370557080.db2.gz HHMUAJCIPNNSTK-MAUKXSAKSA-N 1 0 281.403 3.287 10 0 CGAERO C[C@@H](C[N@@H+]1CC[C@H](c2cnn(C)c2)C1)c1ccccc1 ZINC000116879822 370573681 /nfs/dbraw/zinc/57/36/81/370573681.db2.gz NTTYSWQYNCVRML-HOCLYGCPSA-N 1 0 269.392 3.013 10 0 CGAERO CCCC[C@@H](C[NH3+])Nc1ccc(C(F)(F)F)cn1 ZINC000130596928 371045064 /nfs/dbraw/zinc/04/50/64/371045064.db2.gz XBMOWUNAKSLACP-JTQLQIEISA-N 1 0 261.291 3.030 10 0 CGAERO Cc1ccc([C@H]2CCCC[N@@H+]2CCCCCO)o1 ZINC000130956639 371072980 /nfs/dbraw/zinc/07/29/80/371072980.db2.gz XJBFODYRIVFJAE-CQSZACIVSA-N 1 0 251.370 3.278 10 0 CGAERO Cc1ccc(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)c(C)c1 ZINC000131895830 371137519 /nfs/dbraw/zinc/13/75/19/371137519.db2.gz RRAJGXVOMFTCIP-QGZVFWFLSA-N 1 0 269.392 3.374 10 0 CGAERO COc1ccccc1C1CC([NH2+]Cc2cncs2)C1 ZINC000133102718 371227402 /nfs/dbraw/zinc/22/74/02/371227402.db2.gz JYTPSQOTSUGJRJ-UHFFFAOYSA-N 1 0 274.389 3.188 10 0 CGAERO Cc1cc(C)n(CCC[NH2+]CC2CCC(C)CC2)n1 ZINC000132928887 371212462 /nfs/dbraw/zinc/21/24/62/371212462.db2.gz ROGWSJNRZZJYMX-UHFFFAOYSA-N 1 0 263.429 3.306 10 0 CGAERO CCN1CCC[C@H]([NH2+][C@@H]2CCSc3ccc(F)cc32)C1 ZINC000132990846 371217899 /nfs/dbraw/zinc/21/78/99/371217899.db2.gz MEVVZEMYGQKSPA-DZGCQCFKSA-N 1 0 294.439 3.437 10 0 CGAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCC(C)C)cc1C ZINC000134445408 371337775 /nfs/dbraw/zinc/33/77/75/371337775.db2.gz ZJFRLNDBFHTPTH-HUUCEWRRSA-N 1 0 276.424 3.115 10 0 CGAERO O[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc2ncccc2c1 ZINC000135604188 371438248 /nfs/dbraw/zinc/43/82/48/371438248.db2.gz UILUZOJWFZFKQU-IAGOWNOFSA-N 1 0 270.376 3.018 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1cc2ccccc2o1 ZINC000037165384 541862855 /nfs/dbraw/zinc/86/28/55/541862855.db2.gz 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CCC[C@H]1[C@@H](C)CCC[N@@H+]1Cc1nnc(C2CC2)n1C ZINC000072775696 165073773 /nfs/dbraw/zinc/07/37/73/165073773.db2.gz VBZRVBFCOCPFHQ-JSGCOSHPSA-N 1 0 276.428 3.093 10 0 CGAERO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000073716787 165080911 /nfs/dbraw/zinc/08/09/11/165080911.db2.gz DGKIQSGYZZJJAT-WDEREUQCSA-N 1 0 298.377 3.309 10 0 CGAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1cccc(Br)c1 ZINC000077205431 165117144 /nfs/dbraw/zinc/11/71/44/165117144.db2.gz GVAHRYOZEOKGQC-JSGCOSHPSA-N 1 0 298.224 3.090 10 0 CGAERO COc1ccc([C@H]2C[C@@H](C)[N@H+](Cc3ccon3)C2)cc1 ZINC000077318262 165121779 /nfs/dbraw/zinc/12/17/79/165121779.db2.gz QKMAKQXQZGZOBX-OCCSQVGLSA-N 1 0 272.348 3.061 10 0 CGAERO C[C@H](NC(=O)[C@@H]1CCCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000081018119 165161749 /nfs/dbraw/zinc/16/17/49/165161749.db2.gz PQYXCJYGCLERCL-FZMZJTMJSA-N 1 0 280.799 3.049 10 0 CGAERO COc1ccccc1NC1CC[NH+](CC(C)C)CC1 ZINC000084881079 165175244 /nfs/dbraw/zinc/17/52/44/165175244.db2.gz HTSLVNOHBNWXMR-UHFFFAOYSA-N 1 0 262.397 3.228 10 0 CGAERO CC(C)CCN(CCC(C)C)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089455925 165207952 /nfs/dbraw/zinc/20/79/52/165207952.db2.gz NDBQNVFTWWLQRU-JKSUJKDBSA-N 1 0 282.472 3.282 10 0 CGAERO CCC[C@H](C)[C@@H](CC)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089732399 165214069 /nfs/dbraw/zinc/21/40/69/165214069.db2.gz UQEUWLMFLRNPOW-ARFHVFGLSA-N 1 0 290.455 3.250 10 0 CGAERO CCn1cccc1C[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000091024419 165249695 /nfs/dbraw/zinc/24/96/95/165249695.db2.gz RNBFEFZRUGQOSG-CYBMUJFWSA-N 1 0 286.375 3.130 10 0 CGAERO CC[C@H]([NH2+]CC1CC(O)C1)c1cccc(Cl)c1 ZINC000091524596 287108240 /nfs/dbraw/zinc/10/82/40/287108240.db2.gz GGYXVMNAHJWJGC-DBRPNBKGSA-N 1 0 253.773 3.152 10 0 CGAERO Cc1ccc(N2CCC([NH2+][C@H](C)c3cccnc3)CC2)nc1 ZINC000092752359 165309828 /nfs/dbraw/zinc/30/98/28/165309828.db2.gz SCOMQYHHGYYMRW-OAHLLOKOSA-N 1 0 296.418 3.105 10 0 CGAERO Oc1cccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccccc2)c1 ZINC000093868337 165338486 /nfs/dbraw/zinc/33/84/86/165338486.db2.gz JTDNLXXEIPEFFM-PKOBYXMFSA-N 1 0 297.398 3.480 10 0 CGAERO CCC[C@@H]([NH2+][C@@H]1CCc2nc(CC)nn2C1)c1ccccc1 ZINC000180608751 165663927 /nfs/dbraw/zinc/66/39/27/165663927.db2.gz GOQWVEAVLSUIMK-HZPDHXFCSA-N 1 0 298.434 3.286 10 0 CGAERO C[C@H](C[NH2+][C@H]1Cc2ccccc2[C@H]1O)c1ccccc1 ZINC000249039618 165789226 /nfs/dbraw/zinc/78/92/26/165789226.db2.gz UINRNPSNRFIKNH-JEBQAFNWSA-N 1 0 267.372 3.038 10 0 CGAERO CC[C@H](CC1CCCCC1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000114328123 287150879 /nfs/dbraw/zinc/15/08/79/287150879.db2.gz NDOQQQIZDFLFBX-CVEARBPZSA-N 1 0 280.456 3.146 10 0 CGAERO CCn1c(C)nnc1C[N@H+](CC)[C@H]1CCCC[C@@H]1C ZINC000120055383 287177375 /nfs/dbraw/zinc/17/73/75/287177375.db2.gz DJWTXJOFJSJSBX-JSGCOSHPSA-N 1 0 264.417 3.007 10 0 CGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC000119966690 287175761 /nfs/dbraw/zinc/17/57/61/287175761.db2.gz HYMQJYZYOHRAES-OWCLPIDISA-N 1 0 280.456 3.049 10 0 CGAERO CC1CCN(CC(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000006737054 170236405 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170899019 /nfs/dbraw/zinc/89/90/19/170899019.db2.gz UVVXDTOWKZEOOE-UHFFFAOYSA-N 1 0 283.356 3.404 10 0 CGAERO c1ccc2c(c1)OCC[C@H]2[NH2+]Cc1ccc2c(c1)OCO2 ZINC000020124462 171006935 /nfs/dbraw/zinc/00/69/35/171006935.db2.gz UMTNWSKDQJLSAS-CQSZACIVSA-N 1 0 283.327 3.029 10 0 CGAERO CCC[C@H](C)C[NH2+]CCCn1cnc2ccccc21 ZINC000020130360 171019604 /nfs/dbraw/zinc/01/96/04/171019604.db2.gz SMVLYCPJQLPXJV-AWEZNQCLSA-N 1 0 259.397 3.452 10 0 CGAERO C[C@H](C[NH2+]Cc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000020137517 171025174 /nfs/dbraw/zinc/02/51/74/171025174.db2.gz GGJWAPQHQAYUNL-CQSZACIVSA-N 1 0 283.371 3.351 10 0 CGAERO CC1CCC([NH2+]CCCOCc2ccco2)CC1 ZINC000020146965 171033639 /nfs/dbraw/zinc/03/36/39/171033639.db2.gz VBUYTEPJXFJVFR-UHFFFAOYSA-N 1 0 251.370 3.355 10 0 CGAERO C[C@@H]1CCC[C@@H]([NH2+]CCCOCc2ccco2)C1 ZINC000020146978 171033752 /nfs/dbraw/zinc/03/37/52/171033752.db2.gz GLSGYOYIKCNXLM-ZIAGYGMSSA-N 1 0 251.370 3.355 10 0 CGAERO CC(C)C[N@H+](C)[C@H](CN)c1ccc(Br)cc1 ZINC000020226525 171090813 /nfs/dbraw/zinc/09/08/13/171090813.db2.gz IJGQDCJFVQUFOK-CYBMUJFWSA-N 1 0 285.229 3.037 10 0 CGAERO CN(CCC[NH3+])c1ccc(Oc2ccccc2)cc1 ZINC000020239931 171097243 /nfs/dbraw/zinc/09/72/43/171097243.db2.gz RLBLAVTZRUEAEK-UHFFFAOYSA-N 1 0 256.349 3.264 10 0 CGAERO [NH3+][C@H]1c2ccccc2CC[C@H]1Oc1ccc(F)cc1 ZINC000020262600 171119474 /nfs/dbraw/zinc/11/94/74/171119474.db2.gz RWMWXPONCANZIN-CVEARBPZSA-N 1 0 257.308 3.219 10 0 CGAERO NC(=S)c1cccc(C[NH+]2CCCCCCC2)c1 ZINC000020265927 171122304 /nfs/dbraw/zinc/12/23/04/171122304.db2.gz ZVXJYTFDHNJCSF-UHFFFAOYSA-N 1 0 262.422 3.087 10 0 CGAERO Cc1nc(Cc2ccc(Cl)cc2)sc1CC[NH3+] ZINC000020273825 171130869 /nfs/dbraw/zinc/13/08/69/171130869.db2.gz TVDOOXXBCWCCLC-UHFFFAOYSA-N 1 0 266.797 3.197 10 0 CGAERO [NH3+][C@H](c1ccc(Cl)s1)[C@@H]1COc2ccccc2O1 ZINC000020375013 171170013 /nfs/dbraw/zinc/17/00/13/171170013.db2.gz DHOVREXTOVRDEM-GWCFXTLKSA-N 1 0 281.764 3.241 10 0 CGAERO [NH3+][C@H](Cc1ccccn1)c1c(F)cccc1Cl ZINC000020429036 171193868 /nfs/dbraw/zinc/19/38/68/171193868.db2.gz LKKWXRCWRDLFSP-GFCCVEGCSA-N 1 0 250.704 3.117 10 0 CGAERO CC(C)[N@@H+]1CCc2nc(-c3cccc(O)c3)sc2C1 ZINC000020432989 171197703 /nfs/dbraw/zinc/19/77/03/171197703.db2.gz VXDNIOXCCZMZEI-UHFFFAOYSA-N 1 0 274.389 3.282 10 0 CGAERO CC(C)[NH2+]CCCOc1ccccc1C(F)(F)F ZINC000020525319 171238080 /nfs/dbraw/zinc/23/80/80/171238080.db2.gz LGTUUSBUUTWCRS-UHFFFAOYSA-N 1 0 261.287 3.472 10 0 CGAERO FC(F)(F)c1cccc(OCCC[NH2+]C2CC2)c1 ZINC000020525437 171238169 /nfs/dbraw/zinc/23/81/69/171238169.db2.gz NAAQOFAUGIXNHJ-UHFFFAOYSA-N 1 0 259.271 3.226 10 0 CGAERO CC(C)c1cccc(NC(=O)C[C@@H]2CCCC[NH2+]2)c1 ZINC000020597555 171266169 /nfs/dbraw/zinc/26/61/69/171266169.db2.gz QLLKANBRZNLNLV-AWEZNQCLSA-N 1 0 260.381 3.281 10 0 CGAERO CCCOc1ccc2ccccc2c1C[NH2+]CCOC ZINC000020930726 171281102 /nfs/dbraw/zinc/28/11/02/171281102.db2.gz HALKSNVAAXFPRZ-UHFFFAOYSA-N 1 0 273.376 3.365 10 0 CGAERO COc1c(Cl)cc(CNCCC[NH+](C)C)cc1Cl ZINC000020967756 171282231 /nfs/dbraw/zinc/28/22/31/171282231.db2.gz OOLUHNOTUHXGOF-UHFFFAOYSA-N 1 0 291.222 3.043 10 0 CGAERO CCCc1ccc([C@@H](N)C[NH+]2CCC(C)CC2)cc1 ZINC000021499776 171304395 /nfs/dbraw/zinc/30/43/95/171304395.db2.gz GHUOKXODQDMUGF-KRWDZBQOSA-N 1 0 260.425 3.371 10 0 CGAERO CC1CC[NH+]([C@H]2C[C@@H](C(C)(C)C)CC[C@@H]2N)CC1 ZINC000021805093 171327039 /nfs/dbraw/zinc/32/70/39/171327039.db2.gz ANKYCEOCRDQYOH-KKUMJFAQSA-N 1 0 252.446 3.260 10 0 CGAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CC(C)(C)N1CCOCC1 ZINC000021813760 171330764 /nfs/dbraw/zinc/33/07/64/171330764.db2.gz BAACGLOTVCIXMU-HOTGVXAUSA-N 1 0 296.499 3.292 10 0 CGAERO COc1cc(C[NH2+]C(C)(C)C)cc(Br)c1O ZINC000021957847 171341695 /nfs/dbraw/zinc/34/16/95/171341695.db2.gz QYCAFYMTIMRNPD-UHFFFAOYSA-N 1 0 288.185 3.051 10 0 CGAERO Cc1ccc(C(=O)Nc2ccccc2[C@@H](C)[NH3+])cc1 ZINC000022162589 171364652 /nfs/dbraw/zinc/36/46/52/171364652.db2.gz NXTNWNVGVGQJNF-GFCCVEGCSA-N 1 0 254.333 3.267 10 0 CGAERO C[C@H]1C[C@@H]1c1ccc([C@@H](C[NH3+])N2CCC(C)CC2)o1 ZINC000022165003 171365159 /nfs/dbraw/zinc/36/51/59/171365159.db2.gz CBIIWVVLWZZLAO-MELADBBJSA-N 1 0 262.397 3.135 10 0 CGAERO C[C@@H]1CN([C@H](C[NH3+])c2ccc(C(C)(C)C)cc2)C[C@H](C)O1 ZINC000022168006 171366821 /nfs/dbraw/zinc/36/68/21/171366821.db2.gz OXRVNGPFEPZKQN-JKIFEVAISA-N 1 0 290.451 3.093 10 0 CGAERO CN([C@H](C[NH3+])c1ccc(F)c(F)c1)C1CCCCC1 ZINC000022170517 171367680 /nfs/dbraw/zinc/36/76/80/171367680.db2.gz KKDXQZXOJWRPEW-OAHLLOKOSA-N 1 0 268.351 3.229 10 0 CGAERO Cc1ccsc1[C@H](CN)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022170335 171367818 /nfs/dbraw/zinc/36/78/18/171367818.db2.gz HIDAEQAKGHEAGL-LOWVWBTDSA-N 1 0 252.427 3.034 10 0 CGAERO CN([C@H](C[NH3+])c1ccc(F)cc1F)C1CCCCC1 ZINC000022215775 171375308 /nfs/dbraw/zinc/37/53/08/171375308.db2.gz SJNZXWPXOAOSKJ-OAHLLOKOSA-N 1 0 268.351 3.229 10 0 CGAERO CCOc1ccccc1[C@@H](N)C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000022564436 171391829 /nfs/dbraw/zinc/39/18/29/171391829.db2.gz JANXNJAJRSZLGQ-DZKIICNBSA-N 1 0 276.424 3.348 10 0 CGAERO CCOc1ccc(OC[C@H]([NH3+])c2ccccc2C)cc1 ZINC000022564079 171392149 /nfs/dbraw/zinc/39/21/49/171392149.db2.gz DGWBQCFOVDRLLW-KRWDZBQOSA-N 1 0 271.360 3.473 10 0 CGAERO CCC[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)C(C)C)C1)C(C)C ZINC000032529584 171731890 /nfs/dbraw/zinc/73/18/90/171731890.db2.gz OXDNWWREPAFFNK-JKSUJKDBSA-N 1 0 282.472 3.295 10 0 CGAERO C[NH2+][C@@H](C)CCc1ccc(OCC(F)(F)F)cc1 ZINC000034821499 171874633 /nfs/dbraw/zinc/87/46/33/171874633.db2.gz WOLCBCQQXQSPGQ-JTQLQIEISA-N 1 0 261.287 3.168 10 0 CGAERO CC(C)[NH2+]Cc1ccc(OC[C@@H]2CCCCO2)cc1 ZINC000034833111 171881632 /nfs/dbraw/zinc/88/16/32/171881632.db2.gz IXCITLHBDGPYSR-INIZCTEOSA-N 1 0 263.381 3.133 10 0 CGAERO C[C@@H]([NH2+][C@@H]1CCc2ccccc21)C(=O)N1CCCCCC1 ZINC000035180622 172034445 /nfs/dbraw/zinc/03/44/45/172034445.db2.gz PKUGELPLLDKACQ-RHSMWYFYSA-N 1 0 286.419 3.055 10 0 CGAERO CCC[C@H]([NH2+][C@@H](C)C(=O)N(CC)CC)c1ccccc1 ZINC000035224746 172069433 /nfs/dbraw/zinc/06/94/33/172069433.db2.gz RNFLXZPDRSNLOW-HOCLYGCPSA-N 1 0 276.424 3.374 10 0 CGAERO CC[C@H](C)Oc1c(C[NH2+]C(C)C)cccc1OC ZINC000035413802 172187000 /nfs/dbraw/zinc/18/70/00/172187000.db2.gz PYDXOUQJJUHZLN-LBPRGKRZSA-N 1 0 251.370 3.371 10 0 CGAERO CCCOc1ccc(C[NH2+]C(C)C)c(OCC)c1 ZINC000035414469 172187490 /nfs/dbraw/zinc/18/74/90/172187490.db2.gz DCLAKAZTLYIBQU-UHFFFAOYSA-N 1 0 251.370 3.372 10 0 CGAERO COc1ccc([C@H]([NH3+])Cc2cccc(F)c2)cc1F ZINC000035424646 172193406 /nfs/dbraw/zinc/19/34/06/172193406.db2.gz XZKGUWFLFOSOSF-CQSZACIVSA-N 1 0 263.287 3.216 10 0 CGAERO C[NH2+][C@@H](c1ccc(C)cc1)[C@@H]1Cc2ccccc2O1 ZINC000035466211 172213587 /nfs/dbraw/zinc/21/35/87/172213587.db2.gz HFMLMCSBQKHOBS-IRXDYDNUSA-N 1 0 253.345 3.259 10 0 CGAERO C[NH2+][C@H](CCC(C)C)c1cc(OC)ccc1OC ZINC000035466670 172214248 /nfs/dbraw/zinc/21/42/48/172214248.db2.gz XAACIISIZQBALP-CQSZACIVSA-N 1 0 251.370 3.401 10 0 CGAERO C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCO1 ZINC000035501603 172235942 /nfs/dbraw/zinc/23/59/42/172235942.db2.gz DWVZIFAEPLDMPT-NEPJUHHUSA-N 1 0 260.164 3.433 10 0 CGAERO CC[NH2+][C@H](c1ccoc1)c1ccc2c(c1)C[C@H](C)O2 ZINC000035570584 172266507 /nfs/dbraw/zinc/26/65/07/172266507.db2.gz TZOLTTOXLWPIOQ-ZBEGNZNMSA-N 1 0 257.333 3.302 10 0 CGAERO CCC[NH2+][C@@H](Cc1ncc[nH]1)c1c(F)cccc1Cl ZINC000035586655 172285733 /nfs/dbraw/zinc/28/57/33/172285733.db2.gz NPQDLEAZCFWKAG-LBPRGKRZSA-N 1 0 281.762 3.486 10 0 CGAERO CC[NH2+][C@H](C)c1ccccc1NC(=O)c1ccoc1 ZINC000035643780 172321622 /nfs/dbraw/zinc/32/16/22/172321622.db2.gz KQGIDAQELGTQFO-LLVKDONJSA-N 1 0 258.321 3.202 10 0 CGAERO C[NH2+][C@H](C)c1ccc(NC(=O)OCC(C)C)cc1 ZINC000035645309 172322371 /nfs/dbraw/zinc/32/23/71/172322371.db2.gz ZOGOMTRIWXXHIC-LLVKDONJSA-N 1 0 250.342 3.172 10 0 CGAERO CN(Cc1ccsc1)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000035718932 172372755 /nfs/dbraw/zinc/37/27/55/172372755.db2.gz QBQNMCNLECWARE-CQSZACIVSA-N 1 0 264.369 3.019 10 0 CGAERO CN(CC[C@@H]([NH3+])c1ccccc1)Cc1ccsc1 ZINC000035719386 172374358 /nfs/dbraw/zinc/37/43/58/172374358.db2.gz GJTLNZUPVNYHRO-OAHLLOKOSA-N 1 0 260.406 3.270 10 0 CGAERO [NH3+]Cc1ccc(Sc2ccc(Cl)cc2)nc1 ZINC000035719992 172374734 /nfs/dbraw/zinc/37/47/34/172374734.db2.gz BKJYQFIIJKWTOJ-UHFFFAOYSA-N 1 0 250.754 3.345 10 0 CGAERO [NH3+]Cc1ccccc1Sc1nc2ccccc2[nH]1 ZINC000035720127 172375192 /nfs/dbraw/zinc/37/51/92/172375192.db2.gz RVSVAXOFZJQIND-UHFFFAOYSA-N 1 0 255.346 3.173 10 0 CGAERO COCCS[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1C[NH3+] ZINC000035721950 172377362 /nfs/dbraw/zinc/37/73/62/172377362.db2.gz GUTVHPOFZWNYII-YNEHKIRRSA-N 1 0 259.459 3.156 10 0 CGAERO CC(C)(C)SCCCOc1ccccc1C[NH3+] ZINC000035722374 172377988 /nfs/dbraw/zinc/37/79/88/172377988.db2.gz URRDGHLVHAHXHK-UHFFFAOYSA-N 1 0 253.411 3.446 10 0 CGAERO COc1cccc(SCc2ccccc2C[NH3+])c1 ZINC000035723247 172378804 /nfs/dbraw/zinc/37/88/04/172378804.db2.gz IAZJEYHETKIWKL-UHFFFAOYSA-N 1 0 259.374 3.446 10 0 CGAERO CC[NH+](CC)[C@@H](C)CNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000036076698 172432240 /nfs/dbraw/zinc/43/22/40/172432240.db2.gz WSLZMBRYWTWBEK-IILDEKEXSA-N 1 0 292.467 3.049 10 0 CGAERO [NH3+]Cc1ccc(F)c(COc2ccc(F)c(F)c2)c1 ZINC000036749885 172676772 /nfs/dbraw/zinc/67/67/72/172676772.db2.gz NUUYMVJGKKAKSJ-UHFFFAOYSA-N 1 0 267.250 3.142 10 0 CGAERO COc1ccc2c(c1)[C@@H]([NH2+]CCc1ccccc1)CCO2 ZINC000037202202 173026343 /nfs/dbraw/zinc/02/63/43/173026343.db2.gz SZZSNMSFBBIWHE-KRWDZBQOSA-N 1 0 283.371 3.351 10 0 CGAERO C[C@H](Nc1ccc2c(c1)CCC2)[C@H]1CCC[N@H+](C)C1 ZINC000037209624 173031646 /nfs/dbraw/zinc/03/16/46/173031646.db2.gz INXDAAPWBTUOHL-BBRMVZONSA-N 1 0 258.409 3.318 10 0 CGAERO C=COCCC[NH2+][C@@H]1CCCOc2c(C)cccc21 ZINC000037239327 173056172 /nfs/dbraw/zinc/05/61/72/173056172.db2.gz CKNAEUHYKMILPX-OAHLLOKOSA-N 1 0 261.365 3.349 10 0 CGAERO C=COCCC[NH2+][C@H]1CCCOc2c(C)cccc21 ZINC000037239325 173056405 /nfs/dbraw/zinc/05/64/05/173056405.db2.gz CKNAEUHYKMILPX-HNNXBMFYSA-N 1 0 261.365 3.349 10 0 CGAERO Cc1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)nc1 ZINC000126949533 287277141 /nfs/dbraw/zinc/27/71/41/287277141.db2.gz GTDUMCPIMVSBIG-UHFFFAOYSA-N 1 0 256.393 3.304 10 0 CGAERO Cc1cccc([C@H]([NH3+])c2cnn(-c3ccccc3)c2)c1 ZINC000037308962 173112051 /nfs/dbraw/zinc/11/20/51/173112051.db2.gz GNUCPZABTVJXKA-KRWDZBQOSA-N 1 0 263.344 3.229 10 0 CGAERO Cc1ncsc1[C@H](C)[NH2+][C@H]1CCC[C@@H]1n1ccnc1 ZINC000037314082 173115556 /nfs/dbraw/zinc/11/55/56/173115556.db2.gz MXBXDQMXOZXDEA-AVGNSLFASA-N 1 0 276.409 3.092 10 0 CGAERO CC[C@@H](C)C[N@H+](C)Cc1cc(C(C)=O)ccc1OC ZINC000037315195 173116771 /nfs/dbraw/zinc/11/67/71/173116771.db2.gz GSPSPQIBHSHRNX-GFCCVEGCSA-N 1 0 263.381 3.376 10 0 CGAERO CC[C@H](C)[NH2+]CC(=O)Nc1ccc(Br)cc1C ZINC000037386246 173168793 /nfs/dbraw/zinc/16/87/93/173168793.db2.gz JUHKFNQKVUAOPX-JTQLQIEISA-N 1 0 299.212 3.084 10 0 CGAERO Cc1ccc2c(c1)nc([C@@H]([NH3+])Cc1ccccc1)n2C ZINC000037437844 173208145 /nfs/dbraw/zinc/20/81/45/173208145.db2.gz GSXOMTGLQBWSFH-AWEZNQCLSA-N 1 0 265.360 3.124 10 0 CGAERO CCCCCC[C@H](C)[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC000037495421 173235035 /nfs/dbraw/zinc/23/50/35/173235035.db2.gz JASGEBXPMVAYIR-GJZGRUSLSA-N 1 0 268.445 3.336 10 0 CGAERO CCCCN(C(=O)CCC[NH2+]C(C)C)[C@@H](C)CC ZINC000037809969 173753723 /nfs/dbraw/zinc/75/37/23/173753723.db2.gz IZEGESMKHPWCOP-AWEZNQCLSA-N 1 0 256.434 3.192 10 0 CGAERO Fc1cccc(C[NH2+]C[C@@H]2Cc3ccccc3O2)c1F ZINC000038009861 173975810 /nfs/dbraw/zinc/97/58/10/173975810.db2.gz FOQRARLYXGBXSP-ZDUSSCGKSA-N 1 0 275.298 3.058 10 0 CGAERO CCCCC1CCC(C(=O)N[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000038049772 174061104 /nfs/dbraw/zinc/06/11/04/174061104.db2.gz NVVDCMGTPPXRBI-SSHXOBKSSA-N 1 0 280.456 3.369 10 0 CGAERO [NH3+][C@H](c1ccc2c(c1)CCCO2)c1ccccc1F ZINC000038057812 174068256 /nfs/dbraw/zinc/06/82/56/174068256.db2.gz LFMSCFQQQFILFP-MRXNPFEDSA-N 1 0 257.308 3.199 10 0 CGAERO COc1cc(F)c(-c2ccc(C[NH3+])c(F)c2)c(F)c1 ZINC000038072015 174082476 /nfs/dbraw/zinc/08/24/76/174082476.db2.gz GHAAZVZXSMPHBL-UHFFFAOYSA-N 1 0 267.250 3.238 10 0 CGAERO C[NH2+]Cc1cc(-c2ccc(F)cc2F)ccc1OC ZINC000038072389 174082776 /nfs/dbraw/zinc/08/27/76/174082776.db2.gz OIOLGFQROQOWBT-UHFFFAOYSA-N 1 0 263.287 3.360 10 0 CGAERO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2cc(F)ccc2F)o1 ZINC000038097691 174112149 /nfs/dbraw/zinc/11/21/49/174112149.db2.gz AIWWRAJALQOFQG-YGRLFVJLSA-N 1 0 281.302 3.250 10 0 CGAERO NC[C@]1([NH+]2CCCCCC2)CCCc2ccccc21 ZINC000039046736 174161881 /nfs/dbraw/zinc/16/18/81/174161881.db2.gz XVCSBCBDNJXKQI-QGZVFWFLSA-N 1 0 258.409 3.053 10 0 CGAERO CCc1cc2c(n1Cc1ccccc1)CCC[C@@H]2[NH3+] ZINC000039947717 174176154 /nfs/dbraw/zinc/17/61/54/174176154.db2.gz YKSIIWSUAWYPRB-INIZCTEOSA-N 1 0 254.377 3.435 10 0 CGAERO Cc1ccc(C[NH2+]C[C@H](C)N2CCC(C)CC2)cc1 ZINC000040165706 174197642 /nfs/dbraw/zinc/19/76/42/174197642.db2.gz WANQHRRBIXMJNX-INIZCTEOSA-N 1 0 260.425 3.205 10 0 CGAERO O=C(NCC[NH2+]C1CCCCCC1)C1CCCCCC1 ZINC000127494198 287289187 /nfs/dbraw/zinc/28/91/87/287289187.db2.gz DPALKKOCZPTNAA-UHFFFAOYSA-N 1 0 280.456 3.385 10 0 CGAERO C[NH2+]Cc1nc2cc(Cl)ccc2n1Cc1ccco1 ZINC000040410092 174254499 /nfs/dbraw/zinc/25/44/99/174254499.db2.gz RJVJOYRNGDBBAG-UHFFFAOYSA-N 1 0 275.739 3.050 10 0 CGAERO CCn1c2ccc(C(F)(F)F)cc2nc1[C@@H]1CCC[NH2+]1 ZINC000040417257 174255967 /nfs/dbraw/zinc/25/59/67/174255967.db2.gz YCSLKANGEFVZMB-JTQLQIEISA-N 1 0 283.297 3.500 10 0 CGAERO C[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1CC(C)C ZINC000040417735 174256506 /nfs/dbraw/zinc/25/65/06/174256506.db2.gz NXZYEMZBDNDMCR-UHFFFAOYSA-N 1 0 285.313 3.431 10 0 CGAERO COc1ccccc1C[C@@H](C[NH3+])Cc1ccc(F)cc1 ZINC000041409696 174548035 /nfs/dbraw/zinc/54/80/35/174548035.db2.gz SXPXDZIDCNAPCS-AWEZNQCLSA-N 1 0 273.351 3.194 10 0 CGAERO Cc1cc(Br)ccc1NC[C@@H]1CCC[NH2+]C1 ZINC000041440361 174553434 /nfs/dbraw/zinc/55/34/34/174553434.db2.gz PJJJDVYAMKKTSH-LLVKDONJSA-N 1 0 283.213 3.169 10 0 CGAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000042862265 174893477 /nfs/dbraw/zinc/89/34/77/174893477.db2.gz DFLJNUPMPDIBPF-BFHYXJOUSA-N 1 0 268.445 3.096 10 0 CGAERO C[C@@H]([NH3+])[C@H](c1ccccc1)N1CCc2ccccc21 ZINC000042900806 174905375 /nfs/dbraw/zinc/90/53/75/174905375.db2.gz CWPPLSIJKKHXNW-CXAGYDPISA-N 1 0 252.361 3.138 10 0 CGAERO CCC(C)(C)O[C@@H](c1ccc(OC)cc1)[C@@H](C)[NH3+] ZINC000042963629 174927885 /nfs/dbraw/zinc/92/78/85/174927885.db2.gz BHGWLKADHNKMJB-BXUZGUMPSA-N 1 0 251.370 3.289 10 0 CGAERO C[C@@H]([NH3+])[C@@H](Oc1cccc(F)c1)c1cccc(F)c1 ZINC000042973614 174937143 /nfs/dbraw/zinc/93/71/43/174937143.db2.gz QTSIPFSVBOCOGR-MEBBXXQBSA-N 1 0 263.287 3.432 10 0 CGAERO CC[C@@H]([NH3+])[C@H](OC1CCCC1)c1cccc(OC)c1 ZINC000043029075 174948330 /nfs/dbraw/zinc/94/83/30/174948330.db2.gz WXLFXSIVAIBUDY-HZPDHXFCSA-N 1 0 263.381 3.433 10 0 CGAERO CC[C@@H]([NH3+])[C@H](SCCOC)c1ccccc1C ZINC000043041574 174953837 /nfs/dbraw/zinc/95/38/37/174953837.db2.gz HDIYXWDLTZIGCI-ZIAGYGMSSA-N 1 0 253.411 3.153 10 0 CGAERO CC[C@H]([NH3+])[C@@H](Sc1nncs1)c1ccccc1F ZINC000043049542 174957751 /nfs/dbraw/zinc/95/77/51/174957751.db2.gz PJCHGDWGUDGSPK-QWRGUYRKSA-N 1 0 283.397 3.248 10 0 CGAERO C[C@H]([NH3+])[C@@H](OCCCc1ccncc1)c1cccs1 ZINC000043111105 174974405 /nfs/dbraw/zinc/97/44/05/174974405.db2.gz QFPSZEMHYNMTJK-SWLSCSKDSA-N 1 0 276.405 3.181 10 0 CGAERO COc1ccccc1C[C@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000043647598 175084973 /nfs/dbraw/zinc/08/49/73/175084973.db2.gz SMPHAAUXVZKRKL-PBHICJAKSA-N 1 0 253.345 3.110 10 0 CGAERO [NH3+][C@@H]1CCC[C@H]1Cc1sccc1Br ZINC000043676291 175088328 /nfs/dbraw/zinc/08/83/28/175088328.db2.gz KBYLGARPXDYSDM-IONNQARKSA-N 1 0 260.200 3.181 10 0 CGAERO CCOc1ccccc1[C@H](O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000044113966 175140979 /nfs/dbraw/zinc/14/09/79/175140979.db2.gz GRZUKJWDDHVNQL-IJEWVQPXSA-N 1 0 277.408 3.097 10 0 CGAERO [NH3+][C@H](c1ccccc1)c1ncc(Br)cc1F ZINC000044138866 175146477 /nfs/dbraw/zinc/14/64/77/175146477.db2.gz DPJMZWWWPUHLKJ-LLVKDONJSA-N 1 0 281.128 3.031 10 0 CGAERO COc1ccccc1C[NH2+][C@H]1C[C@@H]1c1ccccc1 ZINC000044423840 175174205 /nfs/dbraw/zinc/17/42/05/175174205.db2.gz JYSZLOJJRAJVHI-CVEARBPZSA-N 1 0 253.345 3.341 10 0 CGAERO CCC[NH2+]CC(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000044648999 175223546 /nfs/dbraw/zinc/22/35/46/175223546.db2.gz SETKCTJGUZQERS-UHFFFAOYSA-N 1 0 284.787 3.065 10 0 CGAERO Cc1ccsc1C[NH2+]CCc1nc2ccccc2[nH]1 ZINC000057353459 175594652 /nfs/dbraw/zinc/59/46/52/175594652.db2.gz ZURSGYKYIZXAEI-UHFFFAOYSA-N 1 0 271.389 3.265 10 0 CGAERO Cc1ncsc1CC[NH2+][C@@H](C)Cc1ccccc1 ZINC000062186006 175665881 /nfs/dbraw/zinc/66/58/81/175665881.db2.gz RDCKLHJBBVJKRL-LBPRGKRZSA-N 1 0 260.406 3.215 10 0 CGAERO COc1ccc(Br)c2c1CC[NH2+][C@@H]2C1CC1 ZINC000070821322 176007566 /nfs/dbraw/zinc/00/75/66/176007566.db2.gz HAZZUGRYFFZVOG-CYBMUJFWSA-N 1 0 282.181 3.055 10 0 CGAERO CC[C@H](c1cccc(Cl)c1)N1CC[C@H](C[NH2+]C)C1 ZINC000071141874 176040133 /nfs/dbraw/zinc/04/01/33/176040133.db2.gz CPTCGKHFWFDPTC-IUODEOHRSA-N 1 0 266.816 3.332 10 0 CGAERO C[C@@H]1CCC[C@@H]1n1c(N)[nH+]c2ccc(F)c(F)c21 ZINC000071208713 176081329 /nfs/dbraw/zinc/08/13/29/176081329.db2.gz HHCFHZIVUPIFFT-XCBNKYQSSA-N 1 0 251.280 3.258 10 0 CGAERO Cc1ncsc1CNc1ccc(N)c2c[nH+]ccc12 ZINC000071213033 176085052 /nfs/dbraw/zinc/08/50/52/176085052.db2.gz BBFTVAOPUFXTNZ-UHFFFAOYSA-N 1 0 270.361 3.194 10 0 CGAERO CC(C)CCCOCc1ccc(F)cc1C(N)=[NH2+] ZINC000071268261 176101866 /nfs/dbraw/zinc/10/18/66/176101866.db2.gz NGXIAAPPMFPBTQ-UHFFFAOYSA-N 1 0 252.333 3.063 10 0 CGAERO Clc1ccc(CNC2=[NH+]C[C@@H](C3CC3)S2)cc1 ZINC000071306616 176115916 /nfs/dbraw/zinc/11/59/16/176115916.db2.gz QQYCRIYIMSGYOO-LBPRGKRZSA-N 1 0 266.797 3.311 10 0 CGAERO CCCN([C@@H](C)c1cc(C)ccc1C)[C@H]1CC[NH2+]C1 ZINC000071314615 176120823 /nfs/dbraw/zinc/12/08/23/176120823.db2.gz UXPRISHTZXISGN-HOTGVXAUSA-N 1 0 260.425 3.438 10 0 CGAERO CCCCc1ccc([C@H]([C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000071587063 176214377 /nfs/dbraw/zinc/21/43/77/176214377.db2.gz JEJACVKSCLGVRO-IAGOWNOFSA-N 1 0 260.425 3.384 10 0 CGAERO C[NH2+][C@H](C(C)C)[C@H](O)c1ccc(C(C)C)cc1OC ZINC000071598073 176221670 /nfs/dbraw/zinc/22/16/70/176221670.db2.gz SCJKHJPAHIISHL-HZPDHXFCSA-N 1 0 265.397 3.096 10 0 CGAERO Cc1ccc(CCc2nc3ccc(C[NH3+])cc3[nH]2)cc1 ZINC000071597907 176221745 /nfs/dbraw/zinc/22/17/45/176221745.db2.gz PHEFANSPRXUNNR-UHFFFAOYSA-N 1 0 265.360 3.115 10 0 CGAERO CC[NH2+][C@@H](C(=O)c1cc(Cl)ccc1OC)C(C)C ZINC000071600918 176227163 /nfs/dbraw/zinc/22/71/63/176227163.db2.gz HDMDFPSWXAFGIP-CYBMUJFWSA-N 1 0 269.772 3.165 10 0 CGAERO COc1ccccc1Oc1cncc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072361542 176377844 /nfs/dbraw/zinc/37/78/44/176377844.db2.gz KOGOWONTGOIQBR-CYBMUJFWSA-N 1 0 299.374 3.087 10 0 CGAERO c1ccc(C[N@@H+]2CCCC[C@H]2c2ccncn2)cc1 ZINC000072384957 176389048 /nfs/dbraw/zinc/38/90/48/176389048.db2.gz NDUHMKCFTIMLAX-INIZCTEOSA-N 1 0 253.349 3.204 10 0 CGAERO C[C@]1(c2ccc(Br)s2)CCCC[NH2+]1 ZINC000076323116 176986978 /nfs/dbraw/zinc/98/69/78/176986978.db2.gz GHCFZENLSZPHSV-SNVBAGLBSA-N 1 0 260.200 3.499 10 0 CGAERO COc1cc([C@@H](C[NH3+])CC(C)C)c(OC)cc1C ZINC000076656014 177045450 /nfs/dbraw/zinc/04/54/50/177045450.db2.gz ZIDCWYMZJZOUNG-GFCCVEGCSA-N 1 0 251.370 3.101 10 0 CGAERO Cc1cccc(CC[C@H](CC[NH3+])c2cccnc2)c1 ZINC000076658493 177047835 /nfs/dbraw/zinc/04/78/35/177047835.db2.gz CZHWUBPKHQPWEB-MRXNPFEDSA-N 1 0 254.377 3.455 10 0 CGAERO CCc1ccc(OC[C@H](C[NH3+])c2ccccc2)cc1 ZINC000076660606 177048694 /nfs/dbraw/zinc/04/86/94/177048694.db2.gz SLDKIVJEWKNMBY-INIZCTEOSA-N 1 0 255.361 3.370 10 0 CGAERO [NH3+]CC[C@H](COc1ccc(F)cc1)c1ccccc1 ZINC000076668603 177052509 /nfs/dbraw/zinc/05/25/09/177052509.db2.gz SDHONFGRQGWGPS-CQSZACIVSA-N 1 0 259.324 3.337 10 0 CGAERO Cc1cccc(NC(=O)CC[C@@H](C[NH3+])C(C)C)c1C ZINC000076676069 177055918 /nfs/dbraw/zinc/05/59/18/177055918.db2.gz FATJFRUIFCEPKI-AWEZNQCLSA-N 1 0 262.397 3.253 10 0 CGAERO COc1cc(C)c([C@H](CC[NH3+])C(C)(C)C)c(OC)c1 ZINC000076681808 177058719 /nfs/dbraw/zinc/05/87/19/177058719.db2.gz WGBOQLICCMNWFY-ZDUSSCGKSA-N 1 0 265.397 3.491 10 0 CGAERO CC[C@H](CCC[NH3+])C(=O)Nc1cccc(Cl)c1C ZINC000076706016 177065416 /nfs/dbraw/zinc/06/54/16/177065416.db2.gz BYLCQZXKBFDPHO-LLVKDONJSA-N 1 0 268.788 3.352 10 0 CGAERO CCC[C@H](C[NH3+])CC(=O)Nc1cccc(Cl)c1C ZINC000076705964 177065477 /nfs/dbraw/zinc/06/54/77/177065477.db2.gz LLLWCPUHGQFLNN-NSHDSACASA-N 1 0 268.788 3.352 10 0 CGAERO [NH3+]C[C@H](c1ccco1)c1cc(Br)cs1 ZINC000076712736 177068179 /nfs/dbraw/zinc/06/81/79/177068179.db2.gz NQRVUNPVDRKPOE-MRVPVSSYSA-N 1 0 272.167 3.194 10 0 CGAERO CC[C@@H](C[NH3+])CC(=O)Nc1cc(Cl)ccc1Cl ZINC000076722310 177069941 /nfs/dbraw/zinc/06/99/41/177069941.db2.gz ZGOIETSTFCSFPV-MRVPVSSYSA-N 1 0 275.179 3.307 10 0 CGAERO CCC[NH2+]CCc1csc(-c2ccc(F)cc2)n1 ZINC000076783402 177091236 /nfs/dbraw/zinc/09/12/36/177091236.db2.gz OYJKDKSDAGHUTQ-UHFFFAOYSA-N 1 0 264.369 3.491 10 0 CGAERO CC(C)C[C@H](C[NH3+])CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000076800801 177099406 /nfs/dbraw/zinc/09/94/06/177099406.db2.gz UTETZEBLXORAHB-JTQLQIEISA-N 1 0 286.778 3.429 10 0 CGAERO COCc1c2cccc(Cl)c2oc1C[NH2+]C1CC1 ZINC000077069197 177184489 /nfs/dbraw/zinc/18/44/89/177184489.db2.gz FDVZNCQVJPPAQX-UHFFFAOYSA-N 1 0 265.740 3.485 10 0 CGAERO COc1ccc([C@H]([NH3+])c2c(C)oc(C)c2C)cc1OC ZINC000077088669 177212403 /nfs/dbraw/zinc/21/24/03/177212403.db2.gz RCJBBFLJHBBTDH-INIZCTEOSA-N 1 0 275.348 3.270 10 0 CGAERO CCCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000119347120 416499596 /nfs/dbraw/zinc/49/95/96/416499596.db2.gz POVWBIDYHFCGBE-VXGBXAGGSA-N 1 0 298.377 3.310 10 0 CGAERO CC(C)OC1CCC([NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC1 ZINC000680650221 543722641 /nfs/dbraw/zinc/72/26/41/543722641.db2.gz KMUCNQBPOWGDHF-UIEKQHFFSA-N 1 0 281.440 3.126 10 0 CGAERO CC[NH+](CC)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC000685960809 544111310 /nfs/dbraw/zinc/11/13/10/544111310.db2.gz CZMYCSIMFLQATF-UHFFFAOYSA-N 1 0 270.417 3.118 10 0 CGAERO CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@@H](CC3CC3)C[NH2+]2)C1 ZINC000725255762 544113433 /nfs/dbraw/zinc/11/34/33/544113433.db2.gz LYEZFOMSYSKPNZ-RHSMWYFYSA-N 1 0 294.439 3.166 10 0 CGAERO CO[C@@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1)C1CCC1 ZINC000660175097 419094939 /nfs/dbraw/zinc/09/49/39/419094939.db2.gz NUSHJRZKCCGXFZ-BONVTDFDSA-N 1 0 269.335 3.431 10 0 CGAERO CC[C@H](CC(F)F)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000660011682 419062171 /nfs/dbraw/zinc/06/21/71/419062171.db2.gz ILIIEVHSANIERK-IPYPFGDCSA-N 1 0 275.383 3.295 10 0 CGAERO CC(C)(C)[C@@H]1CCC[N@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000660454121 419146429 /nfs/dbraw/zinc/14/64/29/419146429.db2.gz VLRZJGZZQFFQGS-ZNMIVQPWSA-N 1 0 253.430 3.296 10 0 CGAERO CC[C@H]1C[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)CO1 ZINC000657303840 419246984 /nfs/dbraw/zinc/24/69/84/419246984.db2.gz HJTUIPYXSAGSLQ-HCWSGVFWSA-N 1 0 265.319 3.265 10 0 CGAERO C[C@H](COCc1ccccc1)[NH2+][C@H]1CCCSCC1 ZINC000657891240 419411066 /nfs/dbraw/zinc/41/10/66/419411066.db2.gz HCTJLXJDAXOBNS-ZBFHGGJFSA-N 1 0 279.449 3.467 10 0 CGAERO COC[C@H](CC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C)OC ZINC000658082848 419551052 /nfs/dbraw/zinc/55/10/52/419551052.db2.gz JMSJMFGENXDSPL-SOUVJXGZSA-N 1 0 271.445 3.232 10 0 CGAERO CCCc1nccnc1N[C@@H](C)CCC[NH+](CC)CC ZINC000663316257 419552675 /nfs/dbraw/zinc/55/26/75/419552675.db2.gz UMFIPGSNJGZCAC-AWEZNQCLSA-N 1 0 278.444 3.352 10 0 CGAERO CCn1nc(C)c([C@@H](C)[NH2+]CCc2ccoc2)c1C ZINC000658200411 419655226 /nfs/dbraw/zinc/65/52/26/419655226.db2.gz NJKDWGZBAWGRNN-LLVKDONJSA-N 1 0 261.369 3.006 10 0 CGAERO CC(C)C[C@@H](CN(C)C)[NH2+]Cc1ccc(Cl)s1 ZINC000037166566 270028666 /nfs/dbraw/zinc/02/86/66/270028666.db2.gz LJVLAOLDPKHXEI-NSHDSACASA-N 1 0 274.861 3.467 10 0 CGAERO CCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000042587932 270032978 /nfs/dbraw/zinc/03/29/78/270032978.db2.gz CCJXMOANYJUXRX-UWVGGRQHSA-N 1 0 288.844 3.357 10 0 CGAERO CCCOc1ccc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])cc1Cl ZINC000085366092 270043531 /nfs/dbraw/zinc/04/35/31/270043531.db2.gz VAXDYQMPYKETRP-DGCLKSJQSA-N 1 0 296.798 3.195 10 0 CGAERO [NH3+][C@H](CF)c1ccc(Cl)cc1Br ZINC000238684759 265369608 /nfs/dbraw/zinc/36/96/08/265369608.db2.gz MUNXAVVUGRLZQA-MRVPVSSYSA-N 1 0 252.514 3.072 10 0 CGAERO CC(C)c1nc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2CO)cs1 ZINC000186349231 270065747 /nfs/dbraw/zinc/06/57/47/270065747.db2.gz QZIIVPBPTIAMTH-XQQFMLRXSA-N 1 0 282.453 3.468 10 0 CGAERO CCC[C@H](C)[N@@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000192744165 270077792 /nfs/dbraw/zinc/07/77/92/270077792.db2.gz CEOWZEGYEGOEQK-LSDHHAIUSA-N 1 0 261.413 3.312 10 0 CGAERO CCCC1CCC([NH2+][C@H]2CCCC[C@H]2CO)CC1 ZINC000219007391 270085712 /nfs/dbraw/zinc/08/57/12/270085712.db2.gz QNOFUBCKODYGNX-GRAKBVBRSA-N 1 0 253.430 3.486 10 0 CGAERO CCN1CCC[C@H]([NH2+][C@H](C)c2cccc(Cl)c2)C1 ZINC000250306555 270091329 /nfs/dbraw/zinc/09/13/29/270091329.db2.gz LFHXZKNMHQIPDR-DOMZBBRYSA-N 1 0 266.816 3.475 10 0 CGAERO Cc1cccnc1C1(C[NH2+][C@@H](C)c2cccc(CO)c2)CC1 ZINC000368256470 267156647 /nfs/dbraw/zinc/15/66/47/267156647.db2.gz ADLHAZQVJDHCKU-HNNXBMFYSA-N 1 0 296.414 3.265 10 0 CGAERO CC1(C)CC(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)C1 ZINC000528496715 270166700 /nfs/dbraw/zinc/16/67/00/270166700.db2.gz ZDAIOMISPMBZCS-ARFHVFGLSA-N 1 0 265.441 3.438 10 0 CGAERO C[C@@H]1CC(CC[NH+]2CCC(C(=O)N(C)C)CC2)C[C@@H](C)C1 ZINC000089100685 274282722 /nfs/dbraw/zinc/28/27/22/274282722.db2.gz WYJDLMDJGZRKKT-GJZGRUSLSA-N 1 0 294.483 3.249 10 0 CGAERO Cc1c([C@H](C)[NH2+][C@H](C)[C@H]2CCCO2)cnn1C(C)(C)C ZINC000248684162 287778885 /nfs/dbraw/zinc/77/88/85/287778885.db2.gz FQROTFAKOKUQAL-YWPYICTPSA-N 1 0 279.428 3.165 10 0 CGAERO O[C@@H]1c2ccccc2C[C@H]1[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186196676 275055865 /nfs/dbraw/zinc/05/58/65/275055865.db2.gz YMHGVIKEQJKROJ-RTBURBONSA-N 1 0 291.394 3.192 10 0 CGAERO C[C@@H]1C[C@H]1[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000252186176 287839589 /nfs/dbraw/zinc/83/95/89/287839589.db2.gz UIAGRPWYKFNYTM-BIGNPOOSSA-N 1 0 280.209 3.304 10 0 CGAERO CC[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)CC(F)(F)F ZINC000402600185 287865233 /nfs/dbraw/zinc/86/52/33/287865233.db2.gz NIVIYJABPCUCQL-YFKTTZPYSA-N 1 0 279.346 3.368 10 0 CGAERO CCSCC[NH2+]C[C@H]1C[C@@]1(C)c1cccs1 ZINC000364851472 287988394 /nfs/dbraw/zinc/98/83/94/287988394.db2.gz WYIBVWGVULUOGJ-DGCLKSJQSA-N 1 0 255.452 3.368 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1cc2ccccc2s1 ZINC000392905196 287996937 /nfs/dbraw/zinc/99/69/37/287996937.db2.gz RAKVBTDCUQEPIG-GMXVVIOVSA-N 1 0 288.416 3.219 10 0 CGAERO CC(C)Oc1ccc([C@H](C)N[C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000396526789 288013731 /nfs/dbraw/zinc/01/37/31/288013731.db2.gz FMWHOJVUDVWFTN-JJRVBVJISA-N 1 0 276.424 3.265 10 0 CGAERO CSc1ccc([C@H](C)N[C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000396714396 288015683 /nfs/dbraw/zinc/01/56/83/288015683.db2.gz QSDAXUNBZJHBJM-HUBLWGQQSA-N 1 0 264.438 3.200 10 0 CGAERO CC[C@H]([NH2+][C@@H](C)c1nnc(C)s1)[C@@H]1CC1(C)C ZINC000397710667 288028058 /nfs/dbraw/zinc/02/80/58/288028058.db2.gz SOKXAVJSOZQXPL-LSJOCFKGSA-N 1 0 253.415 3.322 10 0 CGAERO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1ccccc1C(F)(F)F ZINC000399252881 288050688 /nfs/dbraw/zinc/05/06/88/288050688.db2.gz PPTGMZDBDNHZGP-JQWIXIFHSA-N 1 0 273.298 3.051 10 0 CGAERO CC(C)(C[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)c1ccccc1 ZINC000186991269 278621922 /nfs/dbraw/zinc/62/19/22/278621922.db2.gz SVCUJCFGQFPEOL-OAGGEKHMSA-N 1 0 259.393 3.121 10 0 CGAERO CC(C)C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1ccccc1 ZINC000226316217 279001913 /nfs/dbraw/zinc/00/19/13/279001913.db2.gz SIHPAZMZVTYLEI-DLBZAZTESA-N 1 0 260.425 3.458 10 0 CGAERO CC1(C)CN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC[C@H]1[NH3+] ZINC000261733509 281198581 /nfs/dbraw/zinc/19/85/81/281198581.db2.gz RLJBBTMAHRVOPN-ZJIFWQFVSA-N 1 0 292.467 3.179 10 0 CGAERO Cc1cscc1C[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000094877091 281759339 /nfs/dbraw/zinc/75/93/39/281759339.db2.gz FGNWQWDCXXPGNO-AWEZNQCLSA-N 1 0 286.400 3.254 10 0 CGAERO O=C1CC[NH2+]C[C@@H]1C1c2ccccc2C=Cc2ccccc21 ZINC000098178739 304631194 /nfs/dbraw/zinc/63/11/94/304631194.db2.gz PMAXFXORMLWXQL-SFHVURJKSA-N 1 0 289.378 3.481 10 0 CGAERO COc1ccccc1C[C@H]([NH2+]C[C@@]1(C)CCCO1)C(C)C ZINC000167092806 321909406 /nfs/dbraw/zinc/90/94/06/321909406.db2.gz XFSHSECIMQSECW-FUHWJXTLSA-N 1 0 291.435 3.421 10 0 CGAERO Brc1ccc2cc([C@@H]3CC[NH2+]C3)[nH]c2c1 ZINC000096885646 330381651 /nfs/dbraw/zinc/38/16/51/330381651.db2.gz VFGRPFPNFBSPAY-SECBINFHSA-N 1 0 265.154 3.007 10 0 CGAERO CC[C@H]1C[NH2+]C[C@H]1c1ccc(Br)cc1 ZINC000536954716 330382933 /nfs/dbraw/zinc/38/29/33/330382933.db2.gz SNXMDDKKAUHRCV-JOYOIKCWSA-N 1 0 254.171 3.162 10 0 CGAERO [NH3+]CCc1c2ccccc2[nH]c1C(F)(F)Br ZINC000536960898 330384189 /nfs/dbraw/zinc/38/41/89/330384189.db2.gz SMCXMWDSWXWEDF-UHFFFAOYSA-N 1 0 289.123 3.113 10 0 CGAERO Cc1cc(C[NH2+][C@H](C)c2cncc(F)c2)cs1 ZINC000381125857 336051115 /nfs/dbraw/zinc/05/11/15/336051115.db2.gz GCZSSNWQCVBHMN-SNVBAGLBSA-N 1 0 250.342 3.441 10 0 CGAERO C[C@@H]1C[N@@H+]([C@H]2CCC(C)(C)C[C@H]2C)C[C@@]1(C)C[NH3+] ZINC000385566332 336151500 /nfs/dbraw/zinc/15/15/00/336151500.db2.gz BWAKMOSJBLMNGO-HGTKMLMNSA-N 1 0 252.446 3.118 10 0 CGAERO CCC[NH2+]C[C@H](CC)Oc1ccccc1OCC ZINC000052653980 519933399 /nfs/dbraw/zinc/93/33/99/519933399.db2.gz UYGGWKIIDATDNA-ZDUSSCGKSA-N 1 0 251.370 3.242 10 0 CGAERO CCC[NH2+]C[C@H]1CCN(c2cc(Cl)ccc2C)C1 ZINC000053010056 519935590 /nfs/dbraw/zinc/93/55/90/519935590.db2.gz FGAMAYBORUHPFZ-CYBMUJFWSA-N 1 0 266.816 3.474 10 0 CGAERO CC[NH2+]C[C@H](OC1CCCC1)c1cccc(F)c1 ZINC000050487717 519972720 /nfs/dbraw/zinc/97/27/20/519972720.db2.gz OXCHNNRXMICEAI-HNNXBMFYSA-N 1 0 251.345 3.436 10 0 CGAERO CC[NH2+]Cc1cnc(N(C)c2ccc(OC)cc2)s1 ZINC000054907962 520015687 /nfs/dbraw/zinc/01/56/87/520015687.db2.gz ABHUHURTGXCNOQ-UHFFFAOYSA-N 1 0 277.393 3.029 10 0 CGAERO CC[NH2+]Cc1oc(CN(CC)CC(F)(F)F)cc1C ZINC000052503225 520028203 /nfs/dbraw/zinc/02/82/03/520028203.db2.gz ZQCGETYSZZETNV-UHFFFAOYSA-N 1 0 278.318 3.082 10 0 CGAERO CCC[NH2+][C@H]1CCN([C@H](C)c2ccc(Cl)s2)C1=O ZINC000049649058 520095870 /nfs/dbraw/zinc/09/58/70/520095870.db2.gz VONRSKWRKGELQE-ZJUUUORDSA-N 1 0 286.828 3.063 10 0 CGAERO CCOc1cccc(C[NH3+])c1OCCC(C)(C)C ZINC000049253860 521331941 /nfs/dbraw/zinc/33/19/41/521331941.db2.gz VWZJOLLELJGLQT-UHFFFAOYSA-N 1 0 251.370 3.359 10 0 CGAERO CCCc1nc(N(CCC)CCC)sc1C[NH2+]C ZINC000054995931 521531051 /nfs/dbraw/zinc/53/10/51/521531051.db2.gz HWFFVPAOQWGQBI-UHFFFAOYSA-N 1 0 269.458 3.441 10 0 CGAERO CCCN(c1nc2c(s1)[C@H]([NH2+]C)CCC2)C1CC1 ZINC000054902829 521697560 /nfs/dbraw/zinc/69/75/60/521697560.db2.gz MYKVTFZAFDUFKK-LLVKDONJSA-N 1 0 265.426 3.119 10 0 CGAERO C[NH2+]C[C@H]1CCN(c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000053011245 522093203 /nfs/dbraw/zinc/09/32/03/522093203.db2.gz ZNQRUVJLOYCTKG-SECBINFHSA-N 1 0 292.732 3.405 10 0 CGAERO C[NH2+][C@@H](CC1CCOCC1)c1ccc(F)cc1F ZINC000062774431 522343262 /nfs/dbraw/zinc/34/32/62/522343262.db2.gz RHRFKPJZILOHQR-AWEZNQCLSA-N 1 0 255.308 3.042 10 0 CGAERO C[NH2+][C@@H]1CCN(c2ccc(C)cc2Br)[C@@H](C)C1 ZINC000049712095 522395504 /nfs/dbraw/zinc/39/55/04/522395504.db2.gz ZCVUMASQBOSTFH-NWDGAFQWSA-N 1 0 297.240 3.334 10 0 CGAERO CCc1nccn1-c1ccc([C@@H](C)[NH3+])cc1Br ZINC000061698481 522578224 /nfs/dbraw/zinc/57/82/24/522578224.db2.gz SZUQAZTZDPRNRT-SECBINFHSA-N 1 0 294.196 3.217 10 0 CGAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000152320469 534395179 /nfs/dbraw/zinc/39/51/79/534395179.db2.gz NZSYMQFTHQGCRD-OCCSQVGLSA-N 1 0 298.224 3.090 10 0 CGAERO CC(C)(C)c1ccc(OCCN2CC[NH2+]CC2(C)C)cc1 ZINC000062706849 519040846 /nfs/dbraw/zinc/04/08/46/519040846.db2.gz ZVGOXQLPRYVOSV-UHFFFAOYSA-N 1 0 290.451 3.047 10 0 CGAERO CC(C)C[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccc(F)cc1 ZINC000062662054 519273524 /nfs/dbraw/zinc/27/35/24/519273524.db2.gz VCPMIQLHGPPXIL-XJKSGUPXSA-N 1 0 264.388 3.034 10 0 CGAERO CC(C)[NH2+]C[C@@H](C)N(C)Cc1ccccc1Cl ZINC000052371891 519723134 /nfs/dbraw/zinc/72/31/34/519723134.db2.gz SQOUXPCIIYSXDR-GFCCVEGCSA-N 1 0 254.805 3.158 10 0 CGAERO CC(C)[NH2+]Cc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000054719631 519728427 /nfs/dbraw/zinc/72/84/27/519728427.db2.gz STWYKVYPLBCPEX-UHFFFAOYSA-N 1 0 263.772 3.083 10 0 CGAERO CC(C)C[NH2+]CC[C@@H](C)N(C)Cc1cccc(F)c1 ZINC000052425420 519744172 /nfs/dbraw/zinc/74/41/72/519744172.db2.gz IGZVEHRUZYNHGY-CQSZACIVSA-N 1 0 266.404 3.282 10 0 CGAERO CC(C)Oc1ccc([C@@H]([NH3+])Cc2cccnc2)cc1 ZINC000055264662 519781583 /nfs/dbraw/zinc/78/15/83/519781583.db2.gz ZRORVCWADGBIQD-INIZCTEOSA-N 1 0 256.349 3.111 10 0 CGAERO CC(C)[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccccc1F ZINC000049195746 519794000 /nfs/dbraw/zinc/79/40/00/519794000.db2.gz QBIHTDWDIGWKLG-SWLSCSKDSA-N 1 0 252.377 3.063 10 0 CGAERO CC(C)[C@@H](CNC1CC1)[N@H+](C)C1CCCCCC1 ZINC000052481964 519794770 /nfs/dbraw/zinc/79/47/70/519794770.db2.gz IGLPVQLGXHWTIH-MRXNPFEDSA-N 1 0 252.446 3.418 10 0 CGAERO CC(C)[C@@H]1CN(CC(F)(F)F)c2ccccc2C[NH2+]1 ZINC000062666225 519804357 /nfs/dbraw/zinc/80/43/57/519804357.db2.gz XHXXIENEYMORDR-LBPRGKRZSA-N 1 0 272.314 3.183 10 0 CGAERO CC(C)[C@@H]1C[NH2+][C@@H](C(C)C)CN1Cc1cccs1 ZINC000068702875 519804813 /nfs/dbraw/zinc/80/48/13/519804813.db2.gz SDAYMRHBLPSVJG-CABCVRRESA-N 1 0 266.454 3.203 10 0 CGAERO CC(C)c1csc(N2[C@@H]3CCC[C@H]2CC([NH3+])C3)n1 ZINC000054602524 519855111 /nfs/dbraw/zinc/85/51/11/519855111.db2.gz HLTRIMZFADWWLJ-YOGCLGLASA-N 1 0 265.426 3.115 10 0 CGAERO CC[NH2+]CC1(CN(C)c2ccc(F)cc2)CCCC1 ZINC000051252676 519912452 /nfs/dbraw/zinc/91/24/52/519912452.db2.gz VXBXUJOFKBONAX-UHFFFAOYSA-N 1 0 264.388 3.432 10 0 CGAERO CCCCC1CCC(C[NH2+]CCCN2CCOCC2)CC1 ZINC000062435015 519919040 /nfs/dbraw/zinc/91/90/40/519919040.db2.gz QFEUCUCXULEGNJ-UHFFFAOYSA-N 1 0 296.499 3.295 10 0 CGAERO CCC[NH2+]C[C@H](c1ccccc1)N(C)CC(F)(F)F ZINC000052483426 519934746 /nfs/dbraw/zinc/93/47/46/519934746.db2.gz CALDAKPTXCVFSS-CYBMUJFWSA-N 1 0 274.330 3.221 10 0 CGAERO CCC[NH2+]C[C@H](OCCOC)c1cccc(Cl)c1 ZINC000050495877 519934781 /nfs/dbraw/zinc/93/47/81/519934781.db2.gz BBBYTNPUYMIVIY-AWEZNQCLSA-N 1 0 271.788 3.044 10 0 CGAERO CC[NH2+]C[C@H](c1ccccc1)N(C)Cc1ccoc1 ZINC000052545710 519975845 /nfs/dbraw/zinc/97/58/45/519975845.db2.gz LAGFCALSXSSWGC-MRXNPFEDSA-N 1 0 258.365 3.062 10 0 CGAERO CCC[NH2+][C@@H](c1ccsc1)c1cncc(F)c1 ZINC000049576309 520020093 /nfs/dbraw/zinc/02/00/93/520020093.db2.gz XTAIYOAZINEAGG-ZDUSSCGKSA-N 1 0 250.342 3.371 10 0 CGAERO CCC[NH2+][C@H](C)c1cnc(N2CCC[C@@H]2C)s1 ZINC000054899071 520067220 /nfs/dbraw/zinc/06/72/20/520067220.db2.gz LCAUEIKVQMNNCE-WDEREUQCSA-N 1 0 253.415 3.192 10 0 CGAERO CC[NH2+][C@@H](c1ccc(OC)c(C)c1)[C@@H]1CCCCO1 ZINC000050962307 520109272 /nfs/dbraw/zinc/10/92/72/520109272.db2.gz GVFOGOWIWKASOK-HOTGVXAUSA-N 1 0 263.381 3.223 10 0 CGAERO CC[NH2+][C@H](C)c1cnc(N2C[C@@H](C)C[C@H](C)C2)s1 ZINC000054899794 520181945 /nfs/dbraw/zinc/18/19/45/520181945.db2.gz IKIHVQBQCVMQOC-SDDRHHMPSA-N 1 0 267.442 3.296 10 0 CGAERO CCNc1ccc(Cl)c(C[NH+]2CCC(C)CC2)n1 ZINC000061630627 520309850 /nfs/dbraw/zinc/30/98/50/520309850.db2.gz HYDBJZONKLNKPB-UHFFFAOYSA-N 1 0 267.804 3.399 10 0 CGAERO CCC[C@@H](C)N(C)c1nc(C)c(C[NH2+]CC)s1 ZINC000054997708 520647485 /nfs/dbraw/zinc/64/74/85/520647485.db2.gz QPYKMODOXNPSAS-SNVBAGLBSA-N 1 0 255.431 3.186 10 0 CGAERO CCCC[C@@H](C[NH2+]CCOC)Cc1cccc(F)c1 ZINC000054667053 521049064 /nfs/dbraw/zinc/04/90/64/521049064.db2.gz KSJLCZBDRQLXBI-OAHLLOKOSA-N 1 0 267.388 3.411 10 0 CGAERO CC[N@H+](CC[C@H](O)c1cccc(Cl)c1)C1CC1 ZINC000054024117 521160840 /nfs/dbraw/zinc/16/08/40/521160840.db2.gz IYOZYDIMXWGFFV-AWEZNQCLSA-N 1 0 253.773 3.248 10 0 CGAERO CCOc1cccc([C@@H]([NH3+])c2cc(F)ccc2F)c1 ZINC000055243104 521415015 /nfs/dbraw/zinc/41/50/15/521415015.db2.gz DHBNVKMZBRXAEX-OAHLLOKOSA-N 1 0 263.287 3.412 10 0 CGAERO CCN(c1ncc([C@@H](C)[NH2+]C)s1)C1CCCC1 ZINC000054903423 521507705 /nfs/dbraw/zinc/50/77/05/521507705.db2.gz LIIJEKWQYJBAMZ-SNVBAGLBSA-N 1 0 253.415 3.192 10 0 CGAERO CCOc1ccccc1O[C@@H](CC)C[NH2+]CC(C)C ZINC000052653994 521568251 /nfs/dbraw/zinc/56/82/51/521568251.db2.gz IFAVUYWNUPMMJZ-AWEZNQCLSA-N 1 0 265.397 3.488 10 0 CGAERO CCOc1ccccc1[C@@H]([NH2+]C)c1ncccc1C ZINC000055240832 521579044 /nfs/dbraw/zinc/57/90/44/521579044.db2.gz LQEUYPWPCYKUJF-MRXNPFEDSA-N 1 0 256.349 3.098 10 0 CGAERO CCC(CC)n1cc(CCC[NH2+]CC(C)C)cn1 ZINC000054680680 521638469 /nfs/dbraw/zinc/63/84/69/521638469.db2.gz RANYCIKMIGGIMC-UHFFFAOYSA-N 1 0 251.418 3.422 10 0 CGAERO CCN1CCC[C@H]([NH2+]C2CCC(C(C)C)CC2)C1 ZINC000054556256 521648976 /nfs/dbraw/zinc/64/89/76/521648976.db2.gz HHNWQDNQRRCTKY-GPANFISMSA-N 1 0 252.446 3.275 10 0 CGAERO CCC[NH+](CCC)[C@H](CN)c1ccc(OC)c(C)c1 ZINC000050596481 521650012 /nfs/dbraw/zinc/65/00/12/521650012.db2.gz VLEICMDLLNTHLX-OAHLLOKOSA-N 1 0 264.413 3.125 10 0 CGAERO CCOCCCC[NH2+]CCO[C@@H]1CCCC[C@H]1CC ZINC000053552736 521703348 /nfs/dbraw/zinc/70/33/48/521703348.db2.gz ACNMKEHPKMNZLB-HZPDHXFCSA-N 1 0 271.445 3.378 10 0 CGAERO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H](C)c1ccsc1 ZINC000061367278 521952208 /nfs/dbraw/zinc/95/22/08/521952208.db2.gz YUYVZMCPBQLXLL-PRTUASRFSA-N 1 0 264.438 3.414 10 0 CGAERO CC[C@H]([NH3+])[C@H](Sc1cc(C)nn1C)c1cccs1 ZINC000052309492 522341228 /nfs/dbraw/zinc/34/12/28/522341228.db2.gz CMSXDYSQCDJNOP-GWCFXTLKSA-N 1 0 281.450 3.361 10 0 CGAERO CC[C@H]([NH3+])[C@H](c1ccco1)N1CCC(C)(C)CC1 ZINC000061818427 522344290 /nfs/dbraw/zinc/34/42/90/522344290.db2.gz FLOLFGYCEAESSG-GXTWGEPZSA-N 1 0 250.386 3.180 10 0 CGAERO CCc1nc(N2CCC[C@@H](C)C2)sc1C[NH2+]C1CC1 ZINC000054995601 522386534 /nfs/dbraw/zinc/38/65/34/522386534.db2.gz IRGCYDPUWFVIEN-LLVKDONJSA-N 1 0 279.453 3.194 10 0 CGAERO C[NH2+][C@H](CCCc1ccccc1)Cc1ccncc1 ZINC000060709314 522458381 /nfs/dbraw/zinc/45/83/81/522458381.db2.gz MCIGTQYZTPQTSY-QGZVFWFLSA-N 1 0 254.377 3.235 10 0 CGAERO C[NH2+][C@H](Cc1ccc(OC)c(Br)c1)C(C)C ZINC000049599492 522474276 /nfs/dbraw/zinc/47/42/76/522474276.db2.gz OXEKCMUOWOSQCV-GFCCVEGCSA-N 1 0 286.213 3.244 10 0 CGAERO C[NH2+][C@H](Cc1csc(C)n1)c1ccc(F)cc1F ZINC000055295290 522475245 /nfs/dbraw/zinc/47/52/45/522475245.db2.gz ZIMVPZWUBGZPKK-CYBMUJFWSA-N 1 0 268.332 3.233 10 0 CGAERO C[NH2+][C@H](c1ccc(OC)cc1Cl)[C@H]1CCCCO1 ZINC000050962755 522482341 /nfs/dbraw/zinc/48/23/41/522482341.db2.gz FBEPKEMSJXLBCW-ZIAGYGMSSA-N 1 0 269.772 3.178 10 0 CGAERO CC[C@@H](C[NH2+]CCOC)Cc1c(F)cccc1Cl ZINC000054663615 522547773 /nfs/dbraw/zinc/54/77/73/522547773.db2.gz DNPCDAMVULFTES-LLVKDONJSA-N 1 0 273.779 3.284 10 0 CGAERO CC[C@@H]([NH3+])[C@@H](Oc1cccc(F)c1F)C(C)(C)C ZINC000062612390 522646838 /nfs/dbraw/zinc/64/68/38/522646838.db2.gz VIHKCUKOBQOCLR-ZWNOBZJWSA-N 1 0 257.324 3.496 10 0 CGAERO CC[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000156654707 522755590 /nfs/dbraw/zinc/75/55/90/522755590.db2.gz RXWCCWRGHXWECA-SZMVWBNQSA-N 1 0 289.467 3.316 10 0 CGAERO CN(Cc1cccs1)[C@@H](C[NH3+])CCc1ccccc1 ZINC000061624619 523448424 /nfs/dbraw/zinc/44/84/24/523448424.db2.gz FEILYVRMCCPPOR-OAHLLOKOSA-N 1 0 274.433 3.140 10 0 CGAERO CC[C@](C)(C[NH2+]CCOC)Cc1cccc(F)c1 ZINC000054661899 523464186 /nfs/dbraw/zinc/46/41/86/523464186.db2.gz HPTCLILBNCHIIK-HNNXBMFYSA-N 1 0 253.361 3.021 10 0 CGAERO CC[C@@H]1CN[C@H](C(C)C)C[N@@H+]1CCCc1ccccc1 ZINC000068695207 523487880 /nfs/dbraw/zinc/48/78/80/523487880.db2.gz XWBKATIQMCWUGF-MSOLQXFVSA-N 1 0 274.452 3.328 10 0 CGAERO CC[C@](C)(O)C[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000087013429 523510325 /nfs/dbraw/zinc/51/03/25/523510325.db2.gz BGGMTUPYGZLJQV-CVEARBPZSA-N 1 0 259.349 3.120 10 0 CGAERO CC[C@@H]1CSC(N[C@@H](C)c2cccc(F)c2)=[NH+]1 ZINC000049531622 523520138 /nfs/dbraw/zinc/52/01/38/523520138.db2.gz XAANBQUURJORCG-JOYOIKCWSA-N 1 0 252.358 3.358 10 0 CGAERO COc1ccc(C)cc1[C@H]([NH3+])c1cc(F)ccc1C ZINC000055264549 523860406 /nfs/dbraw/zinc/86/04/06/523860406.db2.gz ATAJGOKCLRUKIU-MRXNPFEDSA-N 1 0 259.324 3.499 10 0 CGAERO COc1ccc(C[C@@]2(C[NH3+])C[C@H]3CC[C@@H]2C3)cc1F ZINC000054634578 524144398 /nfs/dbraw/zinc/14/43/98/524144398.db2.gz YAGZROYDUBQPLU-NORZTCDRSA-N 1 0 263.356 3.142 10 0 CGAERO C[C@H]1CCC[C@H](N(C)Cc2[nH+]c(NN)ccc2Cl)C1 ZINC000061631445 524202776 /nfs/dbraw/zinc/20/27/76/524202776.db2.gz ZAJBWBCGFHFCQG-QWRGUYRKSA-N 1 0 282.819 3.031 10 0 CGAERO COc1ccc(Cl)cc1COCCC[NH2+]C(C)C ZINC000051863865 524211300 /nfs/dbraw/zinc/21/13/00/524211300.db2.gz CXWWWCLOGAPRDP-UHFFFAOYSA-N 1 0 271.788 3.253 10 0 CGAERO Cc1cc(C)c(N2CC[C@H](C[NH2+]C3CC3)C2)c(C)c1 ZINC000053010490 524276371 /nfs/dbraw/zinc/27/63/71/524276371.db2.gz IORQRCSHFCLPMO-OAHLLOKOSA-N 1 0 258.409 3.190 10 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CC(C)CCCCCCNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000040830247 639897118 /nfs/dbraw/zinc/89/71/18/639897118.db2.gz LLDKDIFLYWTGIU-KRWDZBQOSA-N 1 0 290.451 3.279 10 0 CGAERO Cc1ccc(Cc2noc([C@@H]3CCCC[C@@H]3C[NH3+])n2)cc1 ZINC000089383561 640643385 /nfs/dbraw/zinc/64/33/85/640643385.db2.gz BMKTYMFFTBLDDI-HUUCEWRRSA-N 1 0 285.391 3.201 10 0 CGAERO C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000089395564 640644165 /nfs/dbraw/zinc/64/41/65/640644165.db2.gz UHNDGBSGSXKVFV-NJZAAPMLSA-N 1 0 294.826 3.282 10 0 CGAERO CC(C)(c1noc([C@@H]2CCC[C@H]2C[NH3+])n1)c1ccccc1 ZINC000089431276 640645679 /nfs/dbraw/zinc/64/56/79/640645679.db2.gz DHMXRTROTHZZDH-GXTWGEPZSA-N 1 0 285.391 3.238 10 0 CGAERO Cc1cc(C)cc(Cc2noc([C@H]3CCC[C@H]3C[NH3+])n2)c1 ZINC000089431183 640645959 /nfs/dbraw/zinc/64/59/59/640645959.db2.gz RJSKVQUZXOSHNK-GJZGRUSLSA-N 1 0 285.391 3.120 10 0 CGAERO O[C@H](C[N@@H+]1CCC[C@@H]1c1ccco1)c1ccc(F)c(F)c1 ZINC000246971080 640702434 /nfs/dbraw/zinc/70/24/34/640702434.db2.gz 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ZINC000623428754 349806743 /nfs/dbraw/zinc/80/67/43/349806743.db2.gz YYOKTXJWDBMZDX-QWRGUYRKSA-N 1 0 293.354 3.408 10 0 CGAERO CC[C@H]1C[N@@H+](C23CC4CC(CC(C4)C2)C3)[C@@H](CC)CN1 ZINC000083550347 178579597 /nfs/dbraw/zinc/57/95/97/178579597.db2.gz NABFHPWGODBPDZ-WRECPOHLSA-N 1 0 276.468 3.418 10 0 CGAERO C[C@@H]1[C@H](O)CCC[N@@H+]1Cc1csc2ccccc12 ZINC000295078795 199334965 /nfs/dbraw/zinc/33/49/65/199334965.db2.gz RSWITGXFRUNYKW-BXUZGUMPSA-N 1 0 261.390 3.247 10 0 CGAERO C[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@@H]2Cn2ccnc2)C1 ZINC000188405060 542247796 /nfs/dbraw/zinc/24/77/96/542247796.db2.gz GEMQZIMKUWJHRJ-BZUAXINKSA-N 1 0 261.413 3.174 10 0 CGAERO O=C(c1ccccc1)[C@@H](C[NH+]1CCC1)c1ccccc1 ZINC000003600906 344858930 /nfs/dbraw/zinc/85/89/30/344858930.db2.gz WUNWIGLFLQRHSJ-KRWDZBQOSA-N 1 0 265.356 3.359 10 0 CGAERO C[N@@H+]1CCC[C@@H](O)[C@@H]1C(c1ccccc1)c1ccccc1 ZINC000005599853 344862258 /nfs/dbraw/zinc/86/22/58/344862258.db2.gz DQNBDZSLMWHFTB-IEBWSBKVSA-N 1 0 281.399 3.274 10 0 CGAERO CCO[C@H](c1ccc(Cl)c(Cl)c1)C1=[NH+]CCCN1 ZINC000005861314 344862958 /nfs/dbraw/zinc/86/29/58/344862958.db2.gz KWYDMASCDYCJRP-GFCCVEGCSA-N 1 0 287.190 3.463 10 0 CGAERO C[N@@H+](Cc1ccccc1)C[C@H]1CCc2ccc(O)cc2O1 ZINC000013775968 344880449 /nfs/dbraw/zinc/88/04/49/344880449.db2.gz NSEJEWWJBYGEFK-QGZVFWFLSA-N 1 0 283.371 3.218 10 0 CGAERO O[C@@H]1CCC[NH2+][C@@H]1[C@H](c1ccccc1)C1CCCCC1 ZINC000031561968 344926426 /nfs/dbraw/zinc/92/64/26/344926426.db2.gz LDUBLCJVDIXHKE-KURKYZTESA-N 1 0 273.420 3.463 10 0 CGAERO CCC[NH+](CCC)[C@@H]1COc2ccc(OC)cc2C1 ZINC000034204617 344937524 /nfs/dbraw/zinc/93/75/24/344937524.db2.gz VTHDBZLQQSCUEE-AWEZNQCLSA-N 1 0 263.381 3.121 10 0 CGAERO C[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]Cc1ccccc1 ZINC000037628045 344952146 /nfs/dbraw/zinc/95/21/46/344952146.db2.gz DWLUHTUYTBWOLO-ZDUSSCGKSA-N 1 0 269.344 3.136 10 0 CGAERO C[C@H](Cc1ccc(F)c(Br)c1)[C@H](C)[NH3+] ZINC000037947369 344954254 /nfs/dbraw/zinc/95/42/54/344954254.db2.gz NPDPYRUYEFEERZ-SFYZADRCSA-N 1 0 260.150 3.114 10 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254.544 3.029 10 0 CGAERO CC[C@H](C)N(Cc1ccccc1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307708 345132512 /nfs/dbraw/zinc/13/25/12/345132512.db2.gz PTPALZZZTVCITR-DOTOQJQBSA-N 1 0 288.435 3.203 10 0 CGAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1ccc(Cl)c(Cl)c1 ZINC000054305604 345132526 /nfs/dbraw/zinc/13/25/26/345132526.db2.gz RFCHWKGAHGAZAX-SECBINFHSA-N 1 0 287.190 3.322 10 0 CGAERO Cc1cc(C)c([C@H](O)[C@@H]([NH3+])Cc2ccccc2)c(C)c1 ZINC000054686046 345138124 /nfs/dbraw/zinc/13/81/24/345138124.db2.gz DEAGFAYVZMWIAT-FUHWJXTLSA-N 1 0 269.388 3.215 10 0 CGAERO CCc1nc2ccccc2n1CC[NH2+]C1CCCC1 ZINC000062136873 345237010 /nfs/dbraw/zinc/23/70/10/345237010.db2.gz YGYOARDLMNXLGV-UHFFFAOYSA-N 1 0 257.381 3.131 10 0 CGAERO c1ccc(N2CC[NH2+]CC2)c(C2=CCCCCC2)c1 ZINC000059755290 345209114 /nfs/dbraw/zinc/20/91/14/345209114.db2.gz ZNJFTIWUVNUFPB-UHFFFAOYSA-N 1 0 256.393 3.444 10 0 CGAERO C[C@@]1(c2ccc(Br)s2)CCC[NH2+]C1 ZINC000070063862 345388273 /nfs/dbraw/zinc/38/82/73/345388273.db2.gz FMWYBUXEMUXQAW-SNVBAGLBSA-N 1 0 260.200 3.152 10 0 CGAERO CSCCC[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000069446765 345380239 /nfs/dbraw/zinc/38/02/39/345380239.db2.gz BGNFNLYZEVVHIY-INIZCTEOSA-N 1 0 275.417 3.216 10 0 CGAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(C)n2)cc1C ZINC000038037481 232171423 /nfs/dbraw/zinc/17/14/23/232171423.db2.gz RKUXJTAKUPQPFJ-CYBMUJFWSA-N 1 0 255.365 3.253 10 0 CGAERO Brc1csc(CNC2=[NH+]CCCS2)c1 ZINC000070600750 345392463 /nfs/dbraw/zinc/39/24/63/345392463.db2.gz YJSANURVZPIFHA-UHFFFAOYSA-N 1 0 291.239 3.093 10 0 CGAERO [NH3+][C@H]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000070741185 345393938 /nfs/dbraw/zinc/39/39/38/345393938.db2.gz CPJKWWLEQUZPPT-JQWIXIFHSA-N 1 0 254.171 3.119 10 0 CGAERO CC(C)(C)c1nc(C[NH2+]CC[C@@H]2CCCO2)cs1 ZINC000077170105 345558418 /nfs/dbraw/zinc/55/84/18/345558418.db2.gz SGAGZOCMJDNNOZ-LBPRGKRZSA-N 1 0 268.426 3.099 10 0 CGAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1Br ZINC000152301585 232208147 /nfs/dbraw/zinc/20/81/47/232208147.db2.gz MHNBHTROWSVBKW-GXTWGEPZSA-N 1 0 298.224 3.090 10 0 CGAERO Cc1cccc(Cl)c1NC(=O)C[NH2+]Cc1ccccc1 ZINC000095859899 345901063 /nfs/dbraw/zinc/90/10/63/345901063.db2.gz MYZFJXXHPFHWDX-UHFFFAOYSA-N 1 0 288.778 3.377 10 0 CGAERO Cc1ccc(O)c(C[NH2+][C@H](C)c2cc(F)ccc2F)n1 ZINC000112716501 345958458 /nfs/dbraw/zinc/95/84/58/345958458.db2.gz DHKOYZHTSQHUBW-SNVBAGLBSA-N 1 0 278.302 3.225 10 0 CGAERO CC(C)Nc1nc(-c2ccc3c(c2)C[NH2+]C3)cs1 ZINC000113592554 345960824 /nfs/dbraw/zinc/96/08/24/345960824.db2.gz XHRNUQQYWBCOEP-UHFFFAOYSA-N 1 0 259.378 3.234 10 0 CGAERO CC(C)C[C@@H](C[NH2+]Cc1ccnc2ccccc12)N(C)C ZINC000111763458 345951096 /nfs/dbraw/zinc/95/10/96/345951096.db2.gz SZWWVOQFHMQQQD-INIZCTEOSA-N 1 0 285.435 3.301 10 0 CGAERO CCOC(=O)[C@H]1CCC(C)(C)[N@H+](Cc2ccccc2)C1 ZINC000116182113 345976199 /nfs/dbraw/zinc/97/61/99/345976199.db2.gz QBSVFPMKNSTSPH-HNNXBMFYSA-N 1 0 275.392 3.240 10 0 CGAERO [NH3+]C[C@H]1Cc2cccc(-c3ccc(F)c(Cl)c3)c2O1 ZINC000137244710 346093286 /nfs/dbraw/zinc/09/32/86/346093286.db2.gz JVFXJRDCKSRODA-LLVKDONJSA-N 1 0 277.726 3.408 10 0 CGAERO Cc1ccccc1-c1cc(F)c(F)c2c1O[C@@H](C[NH3+])C2 ZINC000137467062 346094137 /nfs/dbraw/zinc/09/41/37/346094137.db2.gz OLOLIIXIJWOCBZ-SNVBAGLBSA-N 1 0 275.298 3.202 10 0 CGAERO COc1cc2c(cc1OC)C[C@@H]([NH2+]Cc1ccccc1)CC2 ZINC000139052514 346098598 /nfs/dbraw/zinc/09/85/98/346098598.db2.gz TUZOWFPSCLQYFM-KRWDZBQOSA-N 1 0 297.398 3.351 10 0 CGAERO CCC[NH+]1CCC(Sc2ccc(O)cc2)CC1 ZINC000140280892 346103651 /nfs/dbraw/zinc/10/36/51/346103651.db2.gz UDMVSKCGBLCTLS-UHFFFAOYSA-N 1 0 251.395 3.359 10 0 CGAERO CC(C)([NH3+])COc1ccc(C(=O)OCc2ccccc2)cc1 ZINC000140215708 346103875 /nfs/dbraw/zinc/10/38/75/346103875.db2.gz ZRLWDACOPOSFFF-UHFFFAOYSA-N 1 0 299.370 3.160 10 0 CGAERO CC(C)(C)OC(=O)NCC[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000142867051 346112696 /nfs/dbraw/zinc/11/26/96/346112696.db2.gz ZFJQCQPXYORCMT-GFCCVEGCSA-N 1 0 284.787 3.255 10 0 CGAERO CC[C@H]1C[NH2+]Cc2cc3ccc(Br)cc3n21 ZINC000143356280 346113649 /nfs/dbraw/zinc/11/36/49/346113649.db2.gz UQFJPJRKNBLEHC-NSHDSACASA-N 1 0 279.181 3.458 10 0 CGAERO COC(=O)c1cccc(C[NH2+][C@H](C)c2cccc(F)c2)c1 ZINC000143520366 346114260 /nfs/dbraw/zinc/11/42/60/346114260.db2.gz KMRQUEBMPWHMTG-GFCCVEGCSA-N 1 0 287.334 3.463 10 0 CGAERO C[C@@H]1CN(c2nc3ccc(Cl)cc3s2)[C@@H](C)C[NH2+]1 ZINC000145797947 346121724 /nfs/dbraw/zinc/12/17/24/346121724.db2.gz OJMRDOYSYIKKRQ-BDAKNGLRSA-N 1 0 281.812 3.136 10 0 CGAERO [NH3+][C@@H](c1ccc(Br)s1)C1=COCCC1 ZINC000160081542 346169958 /nfs/dbraw/zinc/16/99/58/346169958.db2.gz RFWLKSBGDYRHLB-SNVBAGLBSA-N 1 0 274.183 3.205 10 0 CGAERO C[C@@H]1Cc2cc(Br)cc(Cl)c2C[NH2+]1 ZINC000161105427 346174707 /nfs/dbraw/zinc/17/47/07/346174707.db2.gz HVOVCSHUTZTNAU-ZCFIWIBFSA-N 1 0 260.562 3.137 10 0 CGAERO C[C@H]1C[NH2+][C@H](c2ccc(Br)c(F)c2)S1 ZINC000161837745 346176485 /nfs/dbraw/zinc/17/64/85/346176485.db2.gz JTYFGACXVARTOL-WKEGUHRASA-N 1 0 276.174 3.312 10 0 CGAERO C[NH2+]C[C@@H]1Cc2cc(C)cc(-c3ccccc3F)c2O1 ZINC000167001074 346187502 /nfs/dbraw/zinc/18/75/02/346187502.db2.gz DUJFOXXJHLXPPY-ZDUSSCGKSA-N 1 0 271.335 3.324 10 0 CGAERO CC[N@H+](C)CCN1CCCc2cc(Br)ccc21 ZINC000167757917 346188707 /nfs/dbraw/zinc/18/87/07/346188707.db2.gz RLIKNDCPHMSOIF-UHFFFAOYSA-N 1 0 297.240 3.153 10 0 CGAERO CC(C)Sc1ccc(C[NH3+])cc1Br ZINC000169219915 346192107 /nfs/dbraw/zinc/19/21/07/346192107.db2.gz WMXITBWWXNJBMU-UHFFFAOYSA-N 1 0 260.200 3.408 10 0 CGAERO C[C@H]([NH2+]C1CC(CO)C1)c1ccc(F)cc1C(F)(F)F ZINC000624016689 349948280 /nfs/dbraw/zinc/94/82/80/349948280.db2.gz BEGZGZKMBPDKIZ-SILCLGDVSA-N 1 0 291.288 3.266 10 0 CGAERO [NH3+]C[C@@H](CC1(F)CC1)c1ccc(C(F)(F)F)nc1 ZINC000217371795 346290787 /nfs/dbraw/zinc/29/07/87/346290787.db2.gz FKRUTDDXYFGDTD-SECBINFHSA-N 1 0 262.250 3.035 10 0 CGAERO CC[C@H]1C[C@@]1([NH3+])c1ccc(C)cc1Br ZINC000234047843 346330832 /nfs/dbraw/zinc/33/08/32/346330832.db2.gz JJCSEKFRDKSLAS-CABZTGNLSA-N 1 0 254.171 3.341 10 0 CGAERO Cc1cc2ccccc2nc1N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000226955767 346307749 /nfs/dbraw/zinc/30/77/49/346307749.db2.gz XRQOOUSITCQBDA-DZGCQCFKSA-N 1 0 269.392 3.107 10 0 CGAERO C[C@@H]1C[C@@H](c2ccc(Br)s2)[C@@H](C)[NH2+]1 ZINC000227095450 346308460 /nfs/dbraw/zinc/30/84/60/346308460.db2.gz GCOSBZNWSNWTBH-BWZBUEFSSA-N 1 0 260.200 3.365 10 0 CGAERO C/C(=C\c1ccc(F)cc1Br)[C@H](C)[NH3+] ZINC000235490348 346336002 /nfs/dbraw/zinc/33/60/02/346336002.db2.gz YAHXCYXBTXGONZ-IVGLGHLBSA-N 1 0 258.134 3.339 10 0 CGAERO Cc1cc2c(cc1F)[nH+]c(N)n2Cc1ccccc1 ZINC000236003328 346338851 /nfs/dbraw/zinc/33/88/51/346338851.db2.gz ZCIPUDABKHCJGB-UHFFFAOYSA-N 1 0 255.296 3.114 10 0 CGAERO NC(=[NH2+])Nc1ccc(Br)c(Cl)c1Cl ZINC000236232672 346339628 /nfs/dbraw/zinc/33/96/28/346339628.db2.gz XRWGRZRXIQQWJS-UHFFFAOYSA-N 1 0 282.956 3.061 10 0 CGAERO [NH3+]Cc1occc1-c1ccccc1Br ZINC000236262015 346340090 /nfs/dbraw/zinc/34/00/90/346340090.db2.gz ZJFGLWCNBNTDSU-UHFFFAOYSA-N 1 0 252.111 3.168 10 0 CGAERO C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCCCC[C@H]1O ZINC000251117157 346387912 /nfs/dbraw/zinc/38/79/12/346387912.db2.gz QHANJIZLKPVGEQ-DJIMGWMZSA-N 1 0 261.409 3.291 10 0 CGAERO CCOc1ccc(C[C@H](C)[NH2+]C2CC2)cc1Cl ZINC000098129206 185691357 /nfs/dbraw/zinc/69/13/57/185691357.db2.gz NBVSMIGBYSYUEG-JTQLQIEISA-N 1 0 253.773 3.422 10 0 CGAERO COc1cc(C)cc2c(CCC[NH2+]C3CC3)c[nH]c21 ZINC000098160041 185694517 /nfs/dbraw/zinc/69/45/17/185694517.db2.gz WCTVSFUWVSMXGQ-UHFFFAOYSA-N 1 0 258.365 3.170 10 0 CGAERO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCSC1 ZINC000300270295 346437000 /nfs/dbraw/zinc/43/70/00/346437000.db2.gz DCZNVERFXUBGBX-MXWKQRLJSA-N 1 0 267.360 3.450 10 0 CGAERO C[NH2+][C@H](c1ccc[nH]1)c1sccc1Br ZINC000307724655 346464858 /nfs/dbraw/zinc/46/48/58/346464858.db2.gz ZABAFPHHJYRMLC-SECBINFHSA-N 1 0 271.183 3.148 10 0 CGAERO C[C@]1(C[NH3+])CC[C@H](c2csc(Br)c2)O1 ZINC000307689293 346464891 /nfs/dbraw/zinc/46/48/91/346464891.db2.gz KBGGHFHJMNFMSH-PSASIEDQSA-N 1 0 276.199 3.080 10 0 CGAERO C[NH2+][C@@H](C)/C=C\c1ccc(F)cc1Br ZINC000308399380 346467233 /nfs/dbraw/zinc/46/72/33/346467233.db2.gz DCKFVGCFGCEQIE-VEMNSZJBSA-N 1 0 258.134 3.209 10 0 CGAERO 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ZINC000584602187 346689591 /nfs/dbraw/zinc/68/95/91/346689591.db2.gz WRSRRQGYZMRCCI-UHFFFAOYSA-N 1 0 254.333 3.066 10 0 CGAERO CCOC(=O)Nc1ccc([C@H](C[NH3+])c2ccccc2)cc1 ZINC000584601200 346689709 /nfs/dbraw/zinc/68/97/09/346689709.db2.gz YYMNPIPDOCRTJK-MRXNPFEDSA-N 1 0 284.359 3.346 10 0 CGAERO CC[NH2+]CCC1=N[C@H](c2cccc(Cl)c2)N(CC)O1 ZINC000584613830 346692956 /nfs/dbraw/zinc/69/29/56/346692956.db2.gz JXTCGMUONXJHDF-AWEZNQCLSA-N 1 0 281.787 3.004 10 0 CGAERO CCCC[NH2+]C[C@H]1Cc2cc(OC)c(OC)cc2[C@@H]1C ZINC000584618415 346694341 /nfs/dbraw/zinc/69/43/41/346694341.db2.gz GEUCYBAUYBXPAZ-TZMCWYRMSA-N 1 0 277.408 3.369 10 0 CGAERO OCCCOCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000584621140 346695583 /nfs/dbraw/zinc/69/55/83/346695583.db2.gz BZIBNIYPIAGOJV-UHFFFAOYSA-N 1 0 299.414 3.088 10 0 CGAERO [NH3+]CCCS[C@H]1c2ccccc2Oc2ncccc21 ZINC000584621131 346695596 /nfs/dbraw/zinc/69/55/96/346695596.db2.gz ASSYHBPLFYJFAL-AWEZNQCLSA-N 1 0 272.373 3.359 10 0 CGAERO 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CC(C)c1ccc([C@H](C)[NH2+]CC[C@H]2CCOC2=O)cc1 ZINC000177649988 189061583 /nfs/dbraw/zinc/06/15/83/189061583.db2.gz IEROCIMTCUTZBO-BBRMVZONSA-N 1 0 275.392 3.414 10 0 CGAERO CCn1cc([C@H](C)[NH2+][C@@H](C)COCc2ccccc2)cn1 ZINC000178065055 189088429 /nfs/dbraw/zinc/08/84/29/189088429.db2.gz OWSNVISOCRQBPC-GJZGRUSLSA-N 1 0 287.407 3.159 10 0 CGAERO CCn1cc([C@@H](C)[NH2+][C@H](C)COCc2ccccc2)cn1 ZINC000178065065 189088773 /nfs/dbraw/zinc/08/87/73/189088773.db2.gz OWSNVISOCRQBPC-HUUCEWRRSA-N 1 0 287.407 3.159 10 0 CGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCCc1ccccc1 ZINC000178284920 189102658 /nfs/dbraw/zinc/10/26/58/189102658.db2.gz PSZSYMIIFANQJU-GOSISDBHSA-N 1 0 283.419 3.289 10 0 CGAERO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000179467712 189196325 /nfs/dbraw/zinc/19/63/25/189196325.db2.gz PPCYCRDBJUHBNF-IUYQLWOBSA-N 1 0 282.391 3.019 10 0 CGAERO CC[C@H]1CCCCN1C(=O)C[NH2+][C@@H](C)c1cccs1 ZINC000180386358 189252529 /nfs/dbraw/zinc/25/25/29/189252529.db2.gz VCCHLGFXYIZJKO-STQMWFEESA-N 1 0 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JKWPECINVBZEDJ-GOSISDBHSA-N 1 0 272.436 3.441 10 0 CGAERO C[C@@H]([NH2+][C@@H]1CCc2ccccc21)C(=O)NC1CCCCC1 ZINC000035180582 172034463 /nfs/dbraw/zinc/03/44/63/172034463.db2.gz KVIZHKNXRTVEHR-CXAGYDPISA-N 1 0 286.419 3.101 10 0 CGAERO CCCC[NH2+][C@@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000035273285 172093609 /nfs/dbraw/zinc/09/36/09/172093609.db2.gz GWEJPZMBJZTIMA-MNOVXSKESA-N 1 0 253.308 3.266 10 0 CGAERO Fc1cccc([C@@H]2C[NH2+]C[C@@H](c3ccccc3)O2)c1 ZINC000035285296 172103869 /nfs/dbraw/zinc/10/38/69/172103869.db2.gz MLSCMMALTGXXRQ-HOTGVXAUSA-N 1 0 257.308 3.228 10 0 CGAERO c1ccc(-c2ccc(N3CCC[NH2+]CC3)cc2)cc1 ZINC000035298504 172112253 /nfs/dbraw/zinc/11/22/53/172112253.db2.gz QTMLLNNDKRMZAO-UHFFFAOYSA-N 1 0 252.361 3.153 10 0 CGAERO CC[NH2+][C@@H](C)c1cc(F)ccc1SCCOC ZINC000035322046 172125088 /nfs/dbraw/zinc/12/50/88/172125088.db2.gz HDXSYZPJMQSXDR-JTQLQIEISA-N 1 0 257.374 3.235 10 0 CGAERO COc1ccc([C@H]([NH3+])c2ccc(Br)o2)cc1C ZINC000035382656 172165363 /nfs/dbraw/zinc/16/53/63/172165363.db2.gz IPJXSEMTOMCYLK-ZDUSSCGKSA-N 1 0 296.164 3.407 10 0 CGAERO C[NH2+][C@@H](c1ccc(C)s1)[C@@H]1Cc2ccccc2O1 ZINC000035458991 172208447 /nfs/dbraw/zinc/20/84/47/172208447.db2.gz ACXFHCCRNFXWMZ-DZGCQCFKSA-N 1 0 259.374 3.321 10 0 CGAERO C[NH2+][C@@H](c1ccc(F)cc1)c1cncc(Br)c1 ZINC000035463623 172211488 /nfs/dbraw/zinc/21/14/88/172211488.db2.gz KGPIWNXHRGQXHH-ZDUSSCGKSA-N 1 0 295.155 3.292 10 0 CGAERO CCC[C@H](C)[C@@H]([NH2+]C)c1cc(OC)ccc1OC ZINC000035466668 172214236 /nfs/dbraw/zinc/21/42/36/172214236.db2.gz SZBXUMBHXBIRES-XHDPSFHLSA-N 1 0 251.370 3.401 10 0 CGAERO C[NH2+][C@@H](CCC(C)C)c1cc(OC)ccc1OC ZINC000035466669 172214747 /nfs/dbraw/zinc/21/47/47/172214747.db2.gz XAACIISIZQBALP-AWEZNQCLSA-N 1 0 251.370 3.401 10 0 CGAERO C[NH2+][C@H](CC(C)(C)C)c1ccc(OC)cc1OC ZINC000035488927 172223573 /nfs/dbraw/zinc/22/35/73/172223573.db2.gz NJWKQMPXWHQHLN-CYBMUJFWSA-N 1 0 251.370 3.401 10 0 CGAERO C[NH2+][C@H](c1ccsc1)c1cc(F)ccc1OC ZINC000035498961 172232090 /nfs/dbraw/zinc/23/20/90/172232090.db2.gz HAULDXWZJPHQSW-CYBMUJFWSA-N 1 0 251.326 3.205 10 0 CGAERO C[NH2+][C@H](c1cnn(C)c1)c1ccc(Cl)c(Cl)c1 ZINC000035500253 172234266 /nfs/dbraw/zinc/23/42/66/172234266.db2.gz KYHNFYGJICMNIZ-LBPRGKRZSA-N 1 0 270.163 3.036 10 0 CGAERO C[NH2+][C@H](c1cc2c(cc1Cl)OCCCO2)[C@@H]1C[C@@H]1C ZINC000035501175 172234984 /nfs/dbraw/zinc/23/49/84/172234984.db2.gz ZLFMWDSSLSODPL-WMFXKJRFSA-N 1 0 281.783 3.418 10 0 CGAERO C[NH2+][C@H](CC(C)C)c1cc2c(cc1Cl)OCCO2 ZINC000035501389 172235588 /nfs/dbraw/zinc/23/55/88/172235588.db2.gz LGBYGVGBXMXNAK-GFCCVEGCSA-N 1 0 269.772 3.418 10 0 CGAERO C[NH2+][C@@H](c1cc(Cl)ccc1Cl)[C@@H]1CCCO1 ZINC000035501967 172236323 /nfs/dbraw/zinc/23/63/23/172236323.db2.gz HIBQJMDMQKWLRS-RYUDHWBXSA-N 1 0 260.164 3.433 10 0 CGAERO C[NH2+][C@@H](Cc1ncc[nH]1)c1cccc(Cl)c1Cl ZINC000035504268 172237384 /nfs/dbraw/zinc/23/73/84/172237384.db2.gz VPMKEGQJUNCFBN-JTQLQIEISA-N 1 0 270.163 3.220 10 0 CGAERO CC[NH2+][C@@H](c1ccc(OC)c(Cl)c1)[C@H]1CCCO1 ZINC000035538640 172244965 /nfs/dbraw/zinc/24/49/65/172244965.db2.gz OOAGMNRSFBMZQS-KGLIPLIRSA-N 1 0 269.772 3.178 10 0 CGAERO CC[NH2+][C@@H](c1ccc(OC)c(OC)c1)[C@@H](C)CC ZINC000035539548 172245737 /nfs/dbraw/zinc/24/57/37/172245737.db2.gz YEJGPLFAFWGDNA-XHDPSFHLSA-N 1 0 251.370 3.401 10 0 CGAERO CC[NH2+][C@@H](c1ccc2c(c1)OCCCO2)[C@@H]1C[C@@H]1C ZINC000035541571 172249597 /nfs/dbraw/zinc/24/95/97/172249597.db2.gz ARZAJLVRPYVJIM-GHJWDPDVSA-N 1 0 261.365 3.155 10 0 CGAERO CC[NH2+][C@H](c1cccs1)[C@@H]1Cc2ccccc2O1 ZINC000035545444 172253373 /nfs/dbraw/zinc/25/33/73/172253373.db2.gz OACNDGTXHNYIBJ-ZFWWWQNUSA-N 1 0 259.374 3.402 10 0 CGAERO CC[NH2+][C@H](Cc1ncc[nH]1)c1ccc(C(C)C)cc1 ZINC000035570184 172265148 /nfs/dbraw/zinc/26/51/48/172265148.db2.gz RZVOVDQZVQTKBM-OAHLLOKOSA-N 1 0 257.381 3.426 10 0 CGAERO CCC[NH2+][C@@H](c1ccoc1)c1ccc2c(c1)CCO2 ZINC000035579074 172274975 /nfs/dbraw/zinc/27/49/75/172274975.db2.gz VTLNNLKIENHNSB-MRXNPFEDSA-N 1 0 257.333 3.304 10 0 CGAERO CCC[NH2+][C@H](Cc1ncc[nH]1)c1ccc(Cl)cc1 ZINC000035586616 172285705 /nfs/dbraw/zinc/28/57/05/172285705.db2.gz ONJSMNFWJMNFEU-CYBMUJFWSA-N 1 0 263.772 3.347 10 0 CGAERO C[NH2+]Cc1cc(Cl)cc(Cl)c1OC[C@H]1CCCO1 ZINC000035661957 172340361 /nfs/dbraw/zinc/34/03/61/172340361.db2.gz NBFZABGFMJBGHR-LLVKDONJSA-N 1 0 290.190 3.271 10 0 CGAERO Cc1ccc(CN(C)[C@@H](C[NH3+])c2ccc(Cl)s2)o1 ZINC000035699480 172368347 /nfs/dbraw/zinc/36/83/47/172368347.db2.gz SLKAZJUNOOZDNF-NSHDSACASA-N 1 0 284.812 3.435 10 0 CGAERO CN(Cc1cccs1)c1cccc(Cl)c1C[NH3+] ZINC000035718071 172372139 /nfs/dbraw/zinc/37/21/39/172372139.db2.gz BJKRJFXJBXPLKT-UHFFFAOYSA-N 1 0 266.797 3.497 10 0 CGAERO CN(CC[C@H]([NH3+])c1ccccc1)Cc1ccsc1 ZINC000035719385 172374276 /nfs/dbraw/zinc/37/42/76/172374276.db2.gz GJTLNZUPVNYHRO-HNNXBMFYSA-N 1 0 260.406 3.270 10 0 CGAERO CC(C)CSCCCOc1ccc(C[NH3+])cc1 ZINC000035721850 172377758 /nfs/dbraw/zinc/37/77/58/172377758.db2.gz LNQYIMMJPFNHGV-UHFFFAOYSA-N 1 0 253.411 3.303 10 0 CGAERO CCC[NH2+][C@H]1c2cc(OC)ccc2SC[C@H]1C ZINC000035760739 172399575 /nfs/dbraw/zinc/39/95/75/172399575.db2.gz CNEDYTCLNAABOF-QMTHXVAHSA-N 1 0 251.395 3.478 10 0 CGAERO COc1ccc([C@@H](C)[NH2+]Cc2ccncc2)c(F)c1 ZINC000037232082 173051533 /nfs/dbraw/zinc/05/15/33/173051533.db2.gz WHCHJIKCBLGZGH-LLVKDONJSA-N 1 0 260.312 3.080 10 0 CGAERO C[C@H]([NH2+][C@@H](c1cccs1)C1CCCC1)C(=O)N(C)C ZINC000037268204 173079033 /nfs/dbraw/zinc/07/90/33/173079033.db2.gz MNSQQIAOAGNCSO-SMDDNHRTSA-N 1 0 280.437 3.046 10 0 CGAERO O[C@H](c1cc(Cl)ccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000037378768 173167177 /nfs/dbraw/zinc/16/71/77/173167177.db2.gz LLRBRQISVSMGIF-UFBFGSQYSA-N 1 0 260.164 3.026 10 0 CGAERO CCc1nc2ccc([C@@H]([NH3+])c3ccccc3)cc2[nH]1 ZINC000037400955 173178103 /nfs/dbraw/zinc/17/81/03/173178103.db2.gz RDVVPIMQYMEPQA-INIZCTEOSA-N 1 0 251.333 3.173 10 0 CGAERO CCc1nc2ccc([C@H]([NH3+])c3ccccc3)cc2[nH]1 ZINC000037400953 173178277 /nfs/dbraw/zinc/17/82/77/173178277.db2.gz RDVVPIMQYMEPQA-MRXNPFEDSA-N 1 0 251.333 3.173 10 0 CGAERO C[C@@H]([NH3+])Cc1nc2cc(C(F)(F)F)ccc2s1 ZINC000037448819 173216079 /nfs/dbraw/zinc/21/60/79/173216079.db2.gz KQQVZSSJPLPXPP-ZCFIWIBFSA-N 1 0 260.284 3.205 10 0 CGAERO C[NH2+]C(c1ccccc1OC)c1ccccc1OC ZINC000037532985 173253699 /nfs/dbraw/zinc/25/36/99/173253699.db2.gz WUMYQLLOSBTTNN-UHFFFAOYSA-N 1 0 257.333 3.013 10 0 CGAERO CC[C@H]1CCCN1c1cccc(Cl)c1C[NH2+]C ZINC000037914662 173848548 /nfs/dbraw/zinc/84/85/48/173848548.db2.gz NBXMCAHKEWNZMK-NSHDSACASA-N 1 0 252.789 3.438 10 0 CGAERO CC[C@@H]([NH2+]C[C@H](C)N1CCCCC1)c1ccc(O)cc1 ZINC000038028387 174016037 /nfs/dbraw/zinc/01/60/37/174016037.db2.gz XFMUFUXDLWZNSN-WMLDXEAASA-N 1 0 276.424 3.307 10 0 CGAERO C[C@H](CNc1ccc(C(F)(F)F)cn1)[NH+]1CCCCC1 ZINC000038029345 174019275 /nfs/dbraw/zinc/01/92/75/174019275.db2.gz JKCRJTSEUUBFSB-LLVKDONJSA-N 1 0 287.329 3.387 10 0 CGAERO Cc1ccccc1OCC[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032819 174029623 /nfs/dbraw/zinc/02/96/23/174029623.db2.gz KGQOAXPSXPGHAW-UHFFFAOYSA-N 1 0 282.387 3.014 10 0 CGAERO C[C@@H](CN[C@@H]1CCc2c1cccc2O)C[NH+]1CCCCC1 ZINC000038041974 174044709 /nfs/dbraw/zinc/04/47/09/174044709.db2.gz HKAMMOCFDZUDIJ-WMLDXEAASA-N 1 0 288.435 3.091 10 0 CGAERO C[NH2+]Cc1ccc(-c2cc(F)ccc2OC)cc1F ZINC000038073414 174083208 /nfs/dbraw/zinc/08/32/08/174083208.db2.gz VSRVMPJXWDHISZ-UHFFFAOYSA-N 1 0 263.287 3.360 10 0 CGAERO CC[C@@H]([NH2+]C)c1ccc(-c2c(C)nn(C)c2C)cc1 ZINC000038073195 174083236 /nfs/dbraw/zinc/08/32/36/174083236.db2.gz SVVNYXRBFGACBI-OAHLLOKOSA-N 1 0 257.381 3.374 10 0 CGAERO Cc1nn(C)c(C)c1-c1cccc(C[NH2+]C(C)C)c1 ZINC000038073176 174083369 /nfs/dbraw/zinc/08/33/69/174083369.db2.gz OUFNMBGMHLUFCC-UHFFFAOYSA-N 1 0 257.381 3.202 10 0 CGAERO C[C@H]([NH2+]CC[C@H]1CCCO1)c1ccc2c(c1)CCC2 ZINC000038095938 174109463 /nfs/dbraw/zinc/10/94/63/174109463.db2.gz HZVMYQIZCICQAV-SUMWQHHRSA-N 1 0 259.393 3.395 10 0 CGAERO CCCOc1ccc([C@H](C[NH3+])N2CCC(C)CC2)cc1 ZINC000039789145 174173221 /nfs/dbraw/zinc/17/32/21/174173221.db2.gz LQGIJKOZLSFDNR-KRWDZBQOSA-N 1 0 276.424 3.207 10 0 CGAERO CCc1ccc(C(=O)NCC[NH2+]C2CCCCCC2)cc1 ZINC000127469852 287288900 /nfs/dbraw/zinc/28/89/00/287288900.db2.gz HPSORNVECDTIOI-UHFFFAOYSA-N 1 0 288.435 3.291 10 0 CGAERO Cc1nc2cc(C(F)(F)F)ccc2n1CCC[NH+](C)C ZINC000040403977 174253777 /nfs/dbraw/zinc/25/37/77/174253777.db2.gz PVMQDYJZLZRFSC-UHFFFAOYSA-N 1 0 285.313 3.315 10 0 CGAERO CCOc1ccc([C@@H](C[NH3+])Cc2ccccc2)cc1 ZINC000041325787 174522220 /nfs/dbraw/zinc/52/22/20/174522220.db2.gz GVOOMPKIHWCTEZ-MRXNPFEDSA-N 1 0 255.361 3.370 10 0 CGAERO Brc1ccccc1OCC[NH2+]C1CCCC1 ZINC000041458276 174554822 /nfs/dbraw/zinc/55/48/22/174554822.db2.gz QIBKYSYAXSJTSV-UHFFFAOYSA-N 1 0 284.197 3.360 10 0 CGAERO CC[N@H+](CCC(N)=S)Cc1cccc2ccccc21 ZINC000042452691 174745390 /nfs/dbraw/zinc/74/53/90/174745390.db2.gz OKXJWXUMZJGSDL-UHFFFAOYSA-N 1 0 272.417 3.338 10 0 CGAERO C[C@H]([NH2+]C[C@@H](O)COC(C)(C)C)c1ccc(Cl)s1 ZINC000042587889 174809341 /nfs/dbraw/zinc/80/93/41/174809341.db2.gz OXMRENNTCWSSPS-VHSXEESVSA-N 1 0 291.844 3.228 10 0 CGAERO CCCCCC[C@@](C)(C[NH3+])N(C)Cc1cscn1 ZINC000042863648 174893998 /nfs/dbraw/zinc/89/39/98/174893998.db2.gz VDFAOTXMLNBTCX-AWEZNQCLSA-N 1 0 269.458 3.263 10 0 CGAERO CC[C@@H]([NH3+])[C@H](SCCOC)c1cccc(C)c1 ZINC000042970176 174932803 /nfs/dbraw/zinc/93/28/03/174932803.db2.gz VPQYXKWUWYJRBF-ZIAGYGMSSA-N 1 0 253.411 3.153 10 0 CGAERO C[C@@H]([NH3+])[C@H](OCc1cccs1)c1ccccc1F ZINC000043048876 174957950 /nfs/dbraw/zinc/95/79/50/174957950.db2.gz QUOSCLYGZDDLNF-YGRLFVJLSA-N 1 0 265.353 3.492 10 0 CGAERO Cc1nnc(S[C@@H](c2ccccc2F)[C@@H](C)[NH3+])s1 ZINC000043050171 174958339 /nfs/dbraw/zinc/95/83/39/174958339.db2.gz UEHORGYVBLOEKG-RDDDGLTNSA-N 1 0 283.397 3.166 10 0 CGAERO CC[C@@H]([NH3+])[C@@H](OCC(F)(F)F)c1ccccc1OC ZINC000043098962 174967209 /nfs/dbraw/zinc/96/72/09/174967209.db2.gz ORAIDDKFCRFNAA-PWSUYJOCSA-N 1 0 277.286 3.053 10 0 CGAERO COc1ccccc1[C@H](Sc1nnc(C)s1)[C@@H](C)[NH3+] ZINC000043101794 174968011 /nfs/dbraw/zinc/96/80/11/174968011.db2.gz RENZKFFJNOIERC-PRHODGIISA-N 1 0 295.433 3.036 10 0 CGAERO CC[C@H]([NH3+])[C@@H](c1cccs1)n1nc(C)c(C)c1C ZINC000043107382 174973054 /nfs/dbraw/zinc/97/30/54/174973054.db2.gz IPTUXESQWUWLTR-JSGCOSHPSA-N 1 0 263.410 3.197 10 0 CGAERO [NH3+]CCc1c[nH]c2cccc(OCc3ccccc3)c12 ZINC000043501975 175058882 /nfs/dbraw/zinc/05/88/82/175058882.db2.gz KSDRYRLZDHZMDM-UHFFFAOYSA-N 1 0 266.344 3.248 10 0 in-vitro CGAERO CC(C)Oc1ccc([C@@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000044114987 175141842 /nfs/dbraw/zinc/14/18/42/175141842.db2.gz IEQSQIASOLMBCN-KRWDZBQOSA-N 1 0 277.408 3.239 10 0 CGAERO Cc1cccc(C)c1NC(=O)C1(C[NH3+])CCCCC1 ZINC000044753471 175245984 /nfs/dbraw/zinc/24/59/84/175245984.db2.gz RBDNNIWAWGSNHH-UHFFFAOYSA-N 1 0 260.381 3.151 10 0 CGAERO Cc1cc(C)c(NC(=O)C2(C[NH3+])CCCCC2)c(C)c1 ZINC000044761983 175246468 /nfs/dbraw/zinc/24/64/68/175246468.db2.gz IEWHSLFKXMFRRN-UHFFFAOYSA-N 1 0 274.408 3.460 10 0 CGAERO C[C@@H](CNc1ccc(N)cc1Cl)[NH+]1CCCCC1 ZINC000044988933 175285469 /nfs/dbraw/zinc/28/54/69/175285469.db2.gz RNEPAEJGNLYCJE-NSHDSACASA-N 1 0 267.804 3.209 10 0 CGAERO CCC1(CC)CSC(NCc2scnc2C)=[NH+]1 ZINC000071213368 176084866 /nfs/dbraw/zinc/08/48/66/176084866.db2.gz CDNJWZUJYVLULR-UHFFFAOYSA-N 1 0 269.439 3.203 10 0 CGAERO O[C@H](C[NH2+]Cc1sc2ccccc2c1Cl)C1CC1 ZINC000071302885 176114951 /nfs/dbraw/zinc/11/49/51/176114951.db2.gz CJDDRBRDWAMWDP-LLVKDONJSA-N 1 0 281.808 3.415 10 0 CGAERO CCCN([C@H]1CC[NH2+]C1)[C@@H]1CCCc2ccccc21 ZINC000071314791 176120880 /nfs/dbraw/zinc/12/08/80/176120880.db2.gz DKDCMVPCSVFDTE-DOTOQJQBSA-N 1 0 258.409 3.138 10 0 CGAERO CCCN(c1ccccc1C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000071332531 176125661 /nfs/dbraw/zinc/12/56/61/176125661.db2.gz QKEODRNRMWDAOD-NSHDSACASA-N 1 0 272.314 3.284 10 0 CGAERO Brc1ccc([C@@H]2CCC[NH2+]CC2)cc1 ZINC000071575425 176203006 /nfs/dbraw/zinc/20/30/06/176203006.db2.gz PDTOTUWHHQLDIK-SNVBAGLBSA-N 1 0 254.171 3.306 10 0 CGAERO C[NH2+]C[C@@H](OC)c1ccc(Oc2ccccc2)cc1 ZINC000071582322 176207469 /nfs/dbraw/zinc/20/74/69/176207469.db2.gz XQAYINIWNADPHZ-MRXNPFEDSA-N 1 0 257.333 3.386 10 0 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Cc1ccc(N(CC[NH3+])CCC(C)C)cc1Cl ZINC000076659185 177047532 /nfs/dbraw/zinc/04/75/32/177047532.db2.gz COIKEVUYPKQGCB-UHFFFAOYSA-N 1 0 254.805 3.460 10 0 CGAERO CC(C)c1ccccc1OC[C@H](C[NH3+])c1cc[nH]c1 ZINC000076667654 177051437 /nfs/dbraw/zinc/05/14/37/177051437.db2.gz YCKGMQABVMVUHN-AWEZNQCLSA-N 1 0 258.365 3.259 10 0 CGAERO CC(C)c1ccc(OC[C@@H](C[NH3+])c2ccc[nH]2)cc1 ZINC000076667630 177051470 /nfs/dbraw/zinc/05/14/70/177051470.db2.gz JNJJMCYJXJBSRU-CQSZACIVSA-N 1 0 258.365 3.259 10 0 CGAERO CC(C)c1ccccc1N(CC[NH3+])Cc1ccco1 ZINC000076667747 177051591 /nfs/dbraw/zinc/05/15/91/177051591.db2.gz RYECCUYGQHDJST-UHFFFAOYSA-N 1 0 258.365 3.368 10 0 CGAERO CC(C)c1ccccc1OC[C@@H](C[NH3+])c1cc[nH]c1 ZINC000076667651 177051703 /nfs/dbraw/zinc/05/17/03/177051703.db2.gz YCKGMQABVMVUHN-CQSZACIVSA-N 1 0 258.365 3.259 10 0 CGAERO [NH3+]C[C@H](CCOc1ccccc1)c1ccc(F)cc1 ZINC000076668386 177052099 /nfs/dbraw/zinc/05/20/99/177052099.db2.gz PPQDSIDBBHABLX-AWEZNQCLSA-N 1 0 259.324 3.337 10 0 CGAERO CCCc1ccc([C@H](CC[NH3+])C2CCOCC2)cc1 ZINC000076673282 177054838 /nfs/dbraw/zinc/05/48/38/177054838.db2.gz FVNBLCQJMSWSAU-KRWDZBQOSA-N 1 0 261.409 3.498 10 0 CGAERO Cc1ccc(C)c(NC(=O)CC[C@@H](C[NH3+])C(C)C)c1 ZINC000076676037 177055994 /nfs/dbraw/zinc/05/59/94/177055994.db2.gz BTTXZKANGLXCCN-AWEZNQCLSA-N 1 0 262.397 3.253 10 0 CGAERO CCC[C@H](CC[NH3+])C(=O)Nc1cccc(Cl)c1C ZINC000076705919 177065407 /nfs/dbraw/zinc/06/54/07/177065407.db2.gz CCZXPWUHRPPUBI-LLVKDONJSA-N 1 0 268.788 3.352 10 0 CGAERO CC[C@@H](C[NH3+])CCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000076706068 177065705 /nfs/dbraw/zinc/06/57/05/177065705.db2.gz RXDRLWBWHSONGM-LLVKDONJSA-N 1 0 268.788 3.352 10 0 CGAERO C[C@H](C[NH3+])CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000076719157 177069581 /nfs/dbraw/zinc/06/95/81/177069581.db2.gz IFUIXPROOKMNSU-VIFPVBQESA-N 1 0 274.286 3.019 10 0 CGAERO C[C@@H](C[NH3+])CCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000076719170 177069622 /nfs/dbraw/zinc/06/96/22/177069622.db2.gz YWOVDTMLDVEWGY-SECBINFHSA-N 1 0 274.286 3.019 10 0 CGAERO C[C@H](C[NH3+])CCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000076722410 177069892 /nfs/dbraw/zinc/06/98/92/177069892.db2.gz USTXUZHMFVTXJS-QMMMGPOBSA-N 1 0 275.179 3.307 10 0 CGAERO C[C@H](C[NH3+])CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000076852901 177121194 /nfs/dbraw/zinc/12/11/94/177121194.db2.gz HESNUXLOADRYMM-ZETCQYMHSA-N 1 0 294.704 3.282 10 0 CGAERO Cc1cc(Br)ccc1NC(=O)[C@H](C)CCC[NH3+] ZINC000076870248 177125402 /nfs/dbraw/zinc/12/54/02/177125402.db2.gz BQSWZEURZAMAGL-SECBINFHSA-N 1 0 299.212 3.071 10 0 CGAERO CSc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2O)cc1 ZINC000077204340 177233306 /nfs/dbraw/zinc/23/33/06/177233306.db2.gz GJLLZOSRCTYFCI-UKRRQHHQSA-N 1 0 265.422 3.049 10 0 CGAERO O[C@H]1CCC[C@H](C[N@@H+]2CCC3(C2)CCCCC3)C1 ZINC000310981327 416532655 /nfs/dbraw/zinc/53/26/55/416532655.db2.gz JSRHRMHVQKFXLZ-GJZGRUSLSA-N 1 0 251.414 3.194 10 0 CGAERO O[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCC23CCCCC3)C1 ZINC000313003469 416534945 /nfs/dbraw/zinc/53/49/45/416534945.db2.gz JVOOFJPQQZBXTD-RBSFLKMASA-N 1 0 251.414 3.383 10 0 CGAERO CCC[NH2+]Cc1csc(N2CCCC[C@@H]2C)n1 ZINC000079942322 177585580 /nfs/dbraw/zinc/58/55/80/177585580.db2.gz IZARGHNHBRMYFK-NSHDSACASA-N 1 0 253.415 3.022 10 0 CGAERO Cc1cc(Cl)ccc1C[NH2+][C@H]1CCCC[C@@H]1CO ZINC000129798303 287339064 /nfs/dbraw/zinc/33/90/64/287339064.db2.gz XWPJJMDXDQEDSX-HIFRSBDPSA-N 1 0 267.800 3.289 10 0 CGAERO Cc1cc(Cl)ccc1C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000129826038 287339816 /nfs/dbraw/zinc/33/98/16/287339816.db2.gz KOYPBZHMDLQNFT-ZFWWWQNUSA-N 1 0 267.800 3.289 10 0 CGAERO C[C@H]1C[C@H]([NH2+]C2CC(CO)C2)c2ccsc2S1 ZINC000658354399 418948030 /nfs/dbraw/zinc/94/80/30/418948030.db2.gz CIKNHNOUKHVXRI-FJUHHBQUSA-N 1 0 269.435 3.034 10 0 CGAERO Cc1ccc(C[N@H+](C)C[C@@H]2CCC[C@H](O)C2)s1 ZINC000659875981 419026076 /nfs/dbraw/zinc/02/60/76/419026076.db2.gz UJHXDCDEBDZPAD-OLZOCXBDSA-N 1 0 253.411 3.039 10 0 CGAERO C[C@H](COCc1ccccc1)[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000655718554 419075944 /nfs/dbraw/zinc/07/59/44/419075944.db2.gz AYAHWPNSSQXDSG-IJEWVQPXSA-N 1 0 279.449 3.465 10 0 CGAERO [NH3+]C1(CNc2ncc(Cl)cc2Cl)CCCC1 ZINC000656610176 419186355 /nfs/dbraw/zinc/18/63/55/419186355.db2.gz BEVDPHRAHNLKHT-UHFFFAOYSA-N 1 0 260.168 3.072 10 0 CGAERO O[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(C2CCC2)CC1 ZINC000657882893 419403802 /nfs/dbraw/zinc/40/38/02/419403802.db2.gz VUTKGSZXEQRUBD-SSHXOBKSSA-N 1 0 251.414 3.238 10 0 CGAERO CN(C(=O)CCCC1CCCCC1)[C@@H](C[NH3+])C(F)(F)F ZINC000662974976 419511715 /nfs/dbraw/zinc/51/17/15/419511715.db2.gz CHVYRMQOQRLBKL-LBPRGKRZSA-N 1 0 294.361 3.085 10 0 CGAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[C@@H](C)O2)c1C ZINC000658221895 419678793 /nfs/dbraw/zinc/67/87/93/419678793.db2.gz VDSRJTRTPJTJIP-XUJVJEKNSA-N 1 0 279.428 3.128 10 0 CGAERO CCC[C@H]1C[C@H]1[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000226329986 287634580 /nfs/dbraw/zinc/63/45/80/287634580.db2.gz DTQDQNTUMBBCDC-GXTWGEPZSA-N 1 0 282.428 3.164 10 0 CGAERO Cc1ccc(C[NH2+][C@H]2COc3ccccc32)cc1F ZINC000070078831 260151549 /nfs/dbraw/zinc/15/15/49/260151549.db2.gz LEWBHSRWHYTBPO-HNNXBMFYSA-N 1 0 257.308 3.357 10 0 CGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN3CCCC[C@H]23)CC(C)(C)C1 ZINC000036996752 270028513 /nfs/dbraw/zinc/02/85/13/270028513.db2.gz VPSXUGOXEQRMEG-QKPAOTATSA-N 1 0 264.457 3.418 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)c1ccccc1F ZINC000037167094 270028754 /nfs/dbraw/zinc/02/87/54/270028754.db2.gz HGFOPODHEKUGDY-UONOGXRCSA-N 1 0 266.404 3.453 10 0 CGAERO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(CCc2ccccc2)C1 ZINC000040671195 270030022 /nfs/dbraw/zinc/03/00/22/270030022.db2.gz JIBQUXFKMLHJBF-QRQLOZEOSA-N 1 0 286.463 3.472 10 0 CGAERO O[C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(Br)c1 ZINC000042418897 270032870 /nfs/dbraw/zinc/03/28/70/270032870.db2.gz GTBOXNMYBNVONL-ZIAGYGMSSA-N 1 0 298.224 3.232 10 0 CGAERO O[C@H]1CCCC[C@H]1C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000183718041 270056147 /nfs/dbraw/zinc/05/61/47/270056147.db2.gz RQUDTOGYXZPXQJ-YIOUJQMASA-N 1 0 293.373 3.496 10 0 CGAERO CCC[C@@H](C(=O)Nc1cccc(SCC)c1)[NH+](C)C ZINC000179328366 265757730 /nfs/dbraw/zinc/75/77/30/265757730.db2.gz PFLFCFKUFRIISS-AWEZNQCLSA-N 1 0 280.437 3.467 10 0 CGAERO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1cnn2ccccc12 ZINC000188950745 274799584 /nfs/dbraw/zinc/79/95/84/274799584.db2.gz MHPMIZINXMTZKV-INIZCTEOSA-N 1 0 293.370 3.256 10 0 CGAERO c1cc2c(c(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c1)OCCC2 ZINC000371484717 275064729 /nfs/dbraw/zinc/06/47/29/275064729.db2.gz GOHMJZVVMLJOEN-HUUCEWRRSA-N 1 0 272.392 3.050 10 0 CGAERO c1cc2c(c(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c1)OCCC2 ZINC000371484718 275064753 /nfs/dbraw/zinc/06/47/53/275064753.db2.gz GOHMJZVVMLJOEN-LSDHHAIUSA-N 1 0 272.392 3.050 10 0 CGAERO CC(C)[C@](C)(C[NH3+])NCc1cc(Cl)ccc1Cl ZINC000336703067 275717981 /nfs/dbraw/zinc/71/79/81/275717981.db2.gz LNTXFZWOFGXOTG-ZDUSSCGKSA-N 1 0 275.223 3.456 10 0 CGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)C1CCCCC1)CC2 ZINC000177312811 275762822 /nfs/dbraw/zinc/76/28/22/275762822.db2.gz QAJFSAYNEZFBGV-HIFRSBDPSA-N 1 0 290.455 3.275 10 0 CGAERO CC(C)(C)c1ccc(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000089106610 275846710 /nfs/dbraw/zinc/84/67/10/275846710.db2.gz MSJHGBINSZKJNV-ZBFHGGJFSA-N 1 0 288.435 3.231 10 0 CGAERO CC1(C)C[C@H]([NH3+])c2cc(Br)ccc2N1 ZINC000118234045 275864027 /nfs/dbraw/zinc/86/40/27/275864027.db2.gz DMHIBOBHZBKXCR-VIFPVBQESA-N 1 0 255.159 3.043 10 0 CGAERO CC1(C)C[C@@H]([NH2+]CC2(CO)CCC2)c2ccc(F)cc2O1 ZINC000184530469 276142866 /nfs/dbraw/zinc/14/28/66/276142866.db2.gz PRHAXSYFSVUXCC-CQSZACIVSA-N 1 0 293.382 3.180 10 0 CGAERO CC[C@@H](C)[C@H](C)[NH2+]C1CCN(c2ccc(C)cn2)CC1 ZINC000163455279 276523150 /nfs/dbraw/zinc/52/31/50/276523150.db2.gz ZVODWJPRRLQIQB-CABCVRRESA-N 1 0 275.440 3.383 10 0 CGAERO C[N@@H+]1CCC[C@H]1CCN1CCCC[C@@H]1c1nccs1 ZINC000163215662 277077987 /nfs/dbraw/zinc/07/79/87/277077987.db2.gz OXTSGZZUCSTCFC-UONOGXRCSA-N 1 0 279.453 3.154 10 0 CGAERO CC(=O)Oc1ccc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000123184683 277094096 /nfs/dbraw/zinc/09/40/96/277094096.db2.gz RKJBYZNIUCTQSR-KRWDZBQOSA-N 1 0 299.374 3.062 10 0 CGAERO COCC[NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000059786038 277534997 /nfs/dbraw/zinc/53/49/97/277534997.db2.gz YULHYKGSWKIMCE-CQSZACIVSA-N 1 0 261.365 3.059 10 0 CGAERO CC[C@H](C)[C@@H](C[NH2+][C@@H](C)c1c(C)nn(CC)c1C)OC ZINC000362976041 287986210 /nfs/dbraw/zinc/98/62/10/287986210.db2.gz IXMIPQLUDYXZMW-SLEUVZQESA-N 1 0 281.444 3.232 10 0 CGAERO COc1cccc([C@H](C)[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000247931423 278021211 /nfs/dbraw/zinc/02/12/11/278021211.db2.gz CCHZKLUNUQLUAS-ZVZYQTTQSA-N 1 0 289.419 3.383 10 0 CGAERO CC(C)c1ccc2oc(-c3cc[n+](C)cc3)nc2c1 ZINC000226775022 278052912 /nfs/dbraw/zinc/05/29/12/278052912.db2.gz OTNLTLCFEPGTRY-UHFFFAOYSA-N 1 0 253.325 3.443 10 0 CGAERO C[C@@H]1NCCC[C@@H]1[NH2+][C@@H]1CCCC12CCCCC2 ZINC000396696646 288015321 /nfs/dbraw/zinc/01/53/21/288015321.db2.gz FINQEILKXUTNIK-SOUVJXGZSA-N 1 0 250.430 3.220 10 0 CGAERO C[C@@H]1NCCC[C@@H]1[NH2+][C@H]1CCCC12CCCCC2 ZINC000396696643 288015485 /nfs/dbraw/zinc/01/54/85/288015485.db2.gz FINQEILKXUTNIK-KKUMJFAQSA-N 1 0 250.430 3.220 10 0 CGAERO C[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1cncc(F)c1 ZINC000178277024 278385991 /nfs/dbraw/zinc/38/59/91/278385991.db2.gz GDNYLUITDHFHCU-ABAIWWIYSA-N 1 0 272.323 3.395 10 0 CGAERO Cc1nnc([C@@H]([NH2+][C@@H](C)C2CCCC2)c2ccccc2)[nH]1 ZINC000162625829 279105260 /nfs/dbraw/zinc/10/52/60/279105260.db2.gz LLIUMSNPHJEXJK-LRDDRELGSA-N 1 0 284.407 3.371 10 0 CGAERO O[C@@H]1CCCC[C@@H]1[NH+]1CCC2(CCCCC2)CC1 ZINC000061821122 280422908 /nfs/dbraw/zinc/42/29/08/280422908.db2.gz GCMYYIPRWVRDLW-LSDHHAIUSA-N 1 0 251.414 3.336 10 0 CGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(C)c(C)s1 ZINC000246912369 281198356 /nfs/dbraw/zinc/19/83/56/281198356.db2.gz ILSDSHXEXFANDG-KBPBESRZSA-N 1 0 292.448 3.064 10 0 CGAERO Cc1cccc(N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000301945830 281248371 /nfs/dbraw/zinc/24/83/71/281248371.db2.gz XHJWVWDTCCOVDK-WBVHZDCISA-N 1 0 281.403 3.465 10 0 CGAERO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1cccnc1C ZINC000188946540 281284896 /nfs/dbraw/zinc/28/48/96/281284896.db2.gz QJOFILZWSIZBSQ-INIZCTEOSA-N 1 0 268.360 3.312 10 0 CGAERO COc1ccccc1[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000248727170 295399678 /nfs/dbraw/zinc/39/96/78/295399678.db2.gz NHUGRQRJMFICJW-LBRJOISOSA-N 1 0 287.403 3.303 10 0 CGAERO [NH3+]CCCCCCC(=O)NC1(c2ccccc2)CCCC1 ZINC000237981048 303374938 /nfs/dbraw/zinc/37/49/38/303374938.db2.gz MBYJZAJOOQSUNM-UHFFFAOYSA-N 1 0 288.435 3.481 10 0 CGAERO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(C)c1 ZINC000157315711 321793284 /nfs/dbraw/zinc/79/32/84/321793284.db2.gz FVXFKCZWJQAIDG-KKUMJFAQSA-N 1 0 276.424 3.339 10 0 CGAERO CC1(C)C[C@H]1C[N@@H+]1CCCN(Cc2ccccc2)CC1 ZINC000536955296 330383099 /nfs/dbraw/zinc/38/30/99/330383099.db2.gz WFPILDZYOINVRW-KRWDZBQOSA-N 1 0 272.436 3.240 10 0 CGAERO Cc1ccccc1[C@@H]([NH3+])C(C)(C)C(=O)OC(C)(C)C ZINC000536957306 330383416 /nfs/dbraw/zinc/38/34/16/330383416.db2.gz BYFGUHQTKMGDKU-CYBMUJFWSA-N 1 0 263.381 3.363 10 0 CGAERO CCc1nnc(C[NH2+][C@@H](CCC(C)C)C(C)(C)C)n1C ZINC000179900911 335530419 /nfs/dbraw/zinc/53/04/19/335530419.db2.gz KSBRLUVPUSGDAA-ZDUSSCGKSA-N 1 0 280.460 3.318 10 0 CGAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000384008041 336121335 /nfs/dbraw/zinc/12/13/35/336121335.db2.gz MOHMTDWRXCVZPZ-HZPDHXFCSA-N 1 0 283.456 3.257 10 0 CGAERO CSCC1CCC([NH2+][C@@H]2CCCC[C@H]2CO)CC1 ZINC000385743073 336155583 /nfs/dbraw/zinc/15/55/83/336155583.db2.gz WGFRMEZWLGBVGR-OOJKYFRXSA-N 1 0 271.470 3.049 10 0 CGAERO Cc1cc(C)n(CC[NH2+][C@H](C)c2cccc(C)c2)n1 ZINC000386737270 336177801 /nfs/dbraw/zinc/17/78/01/336177801.db2.gz CNIVIZQFRMPMKA-OAHLLOKOSA-N 1 0 257.381 3.159 10 0 CGAERO CC(C)(C)[NH2+]C[C@@H](O)c1cccc(Cl)c1Cl ZINC000055029473 518758544 /nfs/dbraw/zinc/75/85/44/518758544.db2.gz ZFUGFDPCLZKLJF-SNVBAGLBSA-N 1 0 262.180 3.415 10 0 CGAERO CC(C)N(CC(F)(F)F)[C@@H](CC[NH3+])c1ccccc1 ZINC000055017450 519638475 /nfs/dbraw/zinc/63/84/75/519638475.db2.gz IJEZQZURDMSANK-ZDUSSCGKSA-N 1 0 274.330 3.349 10 0 CGAERO CC(C)[NH2+]CC[C@H](C)n1cc(-c2ccccc2)cn1 ZINC000054962093 519722318 /nfs/dbraw/zinc/72/23/18/519722318.db2.gz QINHYRFXBBXICK-AWEZNQCLSA-N 1 0 257.381 3.499 10 0 CGAERO CC(C)[NH2+]C[C@H](C(C)C)N(Cc1ccco1)C1CC1 ZINC000052370780 519724404 /nfs/dbraw/zinc/72/44/04/519724404.db2.gz HFOVSPHNEVQUGV-MRXNPFEDSA-N 1 0 264.413 3.267 10 0 CGAERO CC(C)[C@H]1CN(Cc2ccc(Cl)cc2)[C@@H](C)C[NH2+]1 ZINC000068694728 519826864 /nfs/dbraw/zinc/82/68/64/519826864.db2.gz CBIAVNJKKNYAAP-SWLSCSKDSA-N 1 0 266.816 3.158 10 0 CGAERO CC[NH2+]CCC(=O)Nc1c(C)cc(Br)cc1C ZINC000061288298 519917026 /nfs/dbraw/zinc/91/70/26/519917026.db2.gz YOHLXINADBAJQU-UHFFFAOYSA-N 1 0 299.212 3.004 10 0 CGAERO CC[NH2+]C[C@@H](OCCC(C)C)c1ccccc1OC ZINC000050493530 519947747 /nfs/dbraw/zinc/94/77/47/519947747.db2.gz RFLJLIRMRVFGLE-MRXNPFEDSA-N 1 0 265.397 3.409 10 0 CGAERO CC[NH2+]Cc1cc(CN(CC)CC(F)(F)F)c(C)o1 ZINC000052503178 519987360 /nfs/dbraw/zinc/98/73/60/519987360.db2.gz MDORZLMKXPOVCW-UHFFFAOYSA-N 1 0 278.318 3.082 10 0 CGAERO CC[NH2+]Cc1cc(CN(CC)CC(F)(F)F)oc1C ZINC000052503047 519986450 /nfs/dbraw/zinc/98/64/50/519986450.db2.gz DSDMSIHCFXCAQO-UHFFFAOYSA-N 1 0 278.318 3.082 10 0 CGAERO CC[NH2+][C@H](C)c1sc(N(C)[C@@H]2CCSC2)nc1C ZINC000054902974 520183950 /nfs/dbraw/zinc/18/39/50/520183950.db2.gz PVPNCANARSKWGT-MWLCHTKSSA-N 1 0 285.482 3.064 10 0 CGAERO CCN(CC(C)C)c1ccc(Cl)cc1C(N)=[NH2+] ZINC000052860032 520414008 /nfs/dbraw/zinc/41/40/08/520414008.db2.gz SKIPYMWXFJVGTR-UHFFFAOYSA-N 1 0 253.777 3.106 10 0 CGAERO CCCCOCCOc1cccc2c1CC[C@@H]2[NH2+]C ZINC000062799032 520793986 /nfs/dbraw/zinc/79/39/86/520793986.db2.gz MCWXMCJVKFKLMY-HNNXBMFYSA-N 1 0 263.381 3.089 10 0 CGAERO CCCCOCCOc1cccc([C@H](C)[NH2+]C)c1 ZINC000049261518 520794738 /nfs/dbraw/zinc/79/47/38/520794738.db2.gz WMBWMQHSMPAJSO-ZDUSSCGKSA-N 1 0 251.370 3.163 10 0 CGAERO C[NH2+]C[C@@H](CCOC(C)C)Cc1ccccc1F ZINC000052979157 522033452 /nfs/dbraw/zinc/03/34/52/522033452.db2.gz GMWFFCOQFKTTMU-ZDUSSCGKSA-N 1 0 253.361 3.019 10 0 CGAERO CCc1nc(N(C)[C@H](C)CC(C)C)sc1C[NH3+] ZINC000055001521 522381141 /nfs/dbraw/zinc/38/11/41/522381141.db2.gz WYSGXQRBFKUCBT-SNVBAGLBSA-N 1 0 255.431 3.035 10 0 CGAERO CCc1nc(N(C)[C@@H]2CCCC[C@@H]2C)sc1C[NH3+] ZINC000055000985 522381810 /nfs/dbraw/zinc/38/18/10/522381810.db2.gz MVAGOYCNXTUTJD-CMPLNLGQSA-N 1 0 267.442 3.179 10 0 CGAERO Brc1ccccc1COCC[C@H]1CCC[NH2+]C1 ZINC000051917865 518224030 /nfs/dbraw/zinc/22/40/30/518224030.db2.gz FAIBDOWOKSYEQX-GFCCVEGCSA-N 1 0 298.224 3.355 10 0 CGAERO CC(C)(C)CC[NH2+]CCOc1cccc(F)c1F ZINC000062655076 518654343 /nfs/dbraw/zinc/65/43/43/518654343.db2.gz ODDSWXIUGMNMCI-UHFFFAOYSA-N 1 0 257.324 3.369 10 0 CGAERO CC(C)(C)[NH2+]Cc1cc(-c2ccc(F)c(F)c2)n[nH]1 ZINC000050479388 518761934 /nfs/dbraw/zinc/76/19/34/518761934.db2.gz CGGMDVMEPFBCRO-UHFFFAOYSA-N 1 0 265.307 3.243 10 0 CGAERO CC(C)C[C@@H]1C[NH2+]CCN1Cc1c(F)cccc1Cl ZINC000062672663 519274279 /nfs/dbraw/zinc/27/42/79/519274279.db2.gz LVRFJVDLQUEHNP-GFCCVEGCSA-N 1 0 284.806 3.299 10 0 CGAERO CC(C)CCCOc1cc(Cl)ccc1C(N)=[NH2+] ZINC000062789133 519643031 /nfs/dbraw/zinc/64/30/31/519643031.db2.gz LCLDQJCIUVCNKL-UHFFFAOYSA-N 1 0 254.761 3.439 10 0 CGAERO CC(C)[NH2+]C[C@H](C)CN1CCc2sccc2[C@@H]1C ZINC000052505295 519724929 /nfs/dbraw/zinc/72/49/29/519724929.db2.gz JHUWOMFLXRWRGA-STQMWFEESA-N 1 0 266.454 3.301 10 0 CGAERO CC(C)C[N@@H+]1C[C@@H](C(C)C)NC[C@@H]1Cc1ccccc1 ZINC000062668277 519732136 /nfs/dbraw/zinc/73/21/36/519732136.db2.gz VRLPTPSBXXVIOF-ROUUACIJSA-N 1 0 274.452 3.184 10 0 CGAERO CC(C)C[NH2+]C[C@H]1CCN(c2cc(F)ccc2F)C1 ZINC000053011419 519745951 /nfs/dbraw/zinc/74/59/51/519745951.db2.gz FDVHJNPUVAGVPK-GFCCVEGCSA-N 1 0 268.351 3.037 10 0 CGAERO CC(C)CSCCC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000151785887 519767839 /nfs/dbraw/zinc/76/78/39/519767839.db2.gz CIQPEZPPGSOEMI-UHFFFAOYSA-N 1 0 281.469 3.368 10 0 CGAERO CC(C)c1ccc([C@H](C)[NH2+]Cc2cncnc2)cc1 ZINC000054767547 519839981 /nfs/dbraw/zinc/83/99/81/519839981.db2.gz KYSXDLBWMCIKBF-ZDUSSCGKSA-N 1 0 255.365 3.451 10 0 CGAERO CCC[NH2+]C[C@H](Oc1ccc(F)c(F)c1)C(C)C ZINC000052700244 519935165 /nfs/dbraw/zinc/93/51/65/519935165.db2.gz JUJWYZYEKDBUIY-AWEZNQCLSA-N 1 0 257.324 3.368 10 0 CGAERO CCC[NH2+]C[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000053010132 519935943 /nfs/dbraw/zinc/93/59/43/519935943.db2.gz RIBIYGJSYZDTIQ-GFCCVEGCSA-N 1 0 252.789 3.166 10 0 CGAERO CC[NH2+]C[C@@H](CC)N(C)Cc1cccc(Br)c1 ZINC000052545104 519944352 /nfs/dbraw/zinc/94/43/52/519944352.db2.gz OKFKNYZHOJQVGK-CQSZACIVSA-N 1 0 299.256 3.269 10 0 CGAERO CC[NH2+]C[C@@H](Cc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000053339977 519946553 /nfs/dbraw/zinc/94/65/53/519946553.db2.gz CCUQWAWJSSGIIO-DLBZAZTESA-N 1 0 261.409 3.332 10 0 CGAERO CCC[NH2+]Cc1ccc(N(CC(C)C)C(C)C)nc1 ZINC000051519444 519949480 /nfs/dbraw/zinc/94/94/80/519949480.db2.gz OJFFVROEPOOYMD-UHFFFAOYSA-N 1 0 263.429 3.452 10 0 CGAERO CC[NH2+]C[C@@H]1CCCCN1c1nccc2sccc21 ZINC000053698333 519949584 /nfs/dbraw/zinc/94/95/84/519949584.db2.gz HZQJASCTPFNJJI-LBPRGKRZSA-N 1 0 275.421 3.265 10 0 CGAERO CCC[NH2+]Cc1cnc(N(C)C(CC)CC)s1 ZINC000054904182 519961275 /nfs/dbraw/zinc/96/12/75/519961275.db2.gz RNWUYNALARSSOO-UHFFFAOYSA-N 1 0 255.431 3.268 10 0 CGAERO CC[NH2+]C[C@H](OC[C@@H]1CCOC1)c1cccc(Cl)c1 ZINC000050501644 519974062 /nfs/dbraw/zinc/97/40/62/519974062.db2.gz GECVVRBQWIQHGQ-DOMZBBRYSA-N 1 0 283.799 3.044 10 0 CGAERO CC[NH2+]C[C@](C)(CC)CCCOCC(F)(F)F ZINC000054660707 519981910 /nfs/dbraw/zinc/98/19/10/519981910.db2.gz HKMHDEDNZCKZLW-LLVKDONJSA-N 1 0 255.324 3.371 10 0 CGAERO CCC[NH2+][C@@H](c1ccc(C)c(F)c1)c1cncnc1 ZINC000052887205 520016622 /nfs/dbraw/zinc/01/66/22/520016622.db2.gz KLWFZSZTYHWMRA-HNNXBMFYSA-N 1 0 259.328 3.013 10 0 CGAERO CC[NH2+]Cc1cnn(-c2c(C)cc(C)cc2C)c1C ZINC000055265783 520018323 /nfs/dbraw/zinc/01/83/23/520018323.db2.gz HFBQKMMOLVVCOY-UHFFFAOYSA-N 1 0 257.381 3.215 10 0 CGAERO CC[NH2+]Cc1sc(N2CC[C@@H](C)C[C@@H]2C)nc1C ZINC000054998182 520034285 /nfs/dbraw/zinc/03/42/85/520034285.db2.gz FNWIBZQJFZCOGS-MNOVXSKESA-N 1 0 267.442 3.186 10 0 CGAERO CCC[NH2+][C@H](C)c1ccc(OCCCO)c(Cl)c1 ZINC000061699344 520065884 /nfs/dbraw/zinc/06/58/84/520065884.db2.gz GFILIAGFRPYZFO-LLVKDONJSA-N 1 0 271.788 3.162 10 0 CGAERO CC[NH2+][C@@H](C)c1cccc(OCCOC(C)C)c1 ZINC000049259071 520077862 /nfs/dbraw/zinc/07/78/62/520077862.db2.gz BMFOJKURUJCVIT-ZDUSSCGKSA-N 1 0 251.370 3.161 10 0 CGAERO CC[NH2+][C@@H](C)c1cnc(N(C)C(CC)CC)s1 ZINC000054904221 520079124 /nfs/dbraw/zinc/07/91/24/520079124.db2.gz ZOWDBSPIZSODND-JTQLQIEISA-N 1 0 255.431 3.438 10 0 CGAERO CCC[NH2+][C@H]1CCN([C@@H](CC)C2CCCCC2)C1 ZINC000052340447 520094092 /nfs/dbraw/zinc/09/40/92/520094092.db2.gz FBWJOBSYCUOEHU-HOTGVXAUSA-N 1 0 252.446 3.419 10 0 CGAERO CC[NH2+][C@@H]1CCCCc2c(Cl)cc3c(c21)OCCO3 ZINC000054742030 520118187 /nfs/dbraw/zinc/11/81/87/520118187.db2.gz BYNOFSYQIKFVQP-GFCCVEGCSA-N 1 0 281.783 3.488 10 0 CGAERO CC[NH2+][C@H](C)c1cnc(Cc2csc(C)n2)s1 ZINC000055296485 520181616 /nfs/dbraw/zinc/18/16/16/520181616.db2.gz UEAVTFNZLLDPSK-MRVPVSSYSA-N 1 0 267.423 3.169 10 0 CGAERO CCCCCOc1cccc(C[NH2+]CCCOC)c1 ZINC000066116222 520258681 /nfs/dbraw/zinc/25/86/81/520258681.db2.gz RDZHILCFRZJPPJ-UHFFFAOYSA-N 1 0 265.397 3.382 10 0 CGAERO CCCCN(C)c1cccc(Cl)c1C[NH2+]CCOC ZINC000062734501 520436382 /nfs/dbraw/zinc/43/63/82/520436382.db2.gz JTVQTAMTPBNGQM-UHFFFAOYSA-N 1 0 284.831 3.312 10 0 CGAERO CCO[C@H](C[NH3+])CSc1ccc(C(C)C)cc1 ZINC000062740583 520519088 /nfs/dbraw/zinc/51/90/88/520519088.db2.gz SIWPQAIPFYRWLI-CYBMUJFWSA-N 1 0 253.411 3.266 10 0 CGAERO CCC[C@@H](C)[NH2+]CCN(C)Cc1ccccc1F ZINC000053438155 520667076 /nfs/dbraw/zinc/66/70/76/520667076.db2.gz LULUCLUWNSPSDE-CYBMUJFWSA-N 1 0 252.377 3.036 10 0 CGAERO CCCCOc1ccc(C(=O)N[C@@H](C[NH3+])CCCC)cc1 ZINC000150235324 520870009 /nfs/dbraw/zinc/87/00/09/520870009.db2.gz QXGSEBNGMPDGRQ-OAHLLOKOSA-N 1 0 292.423 3.113 10 0 CGAERO CC1CC(C[NH3+])(c2ccc(Br)cc2)C1 ZINC000070068626 520903708 /nfs/dbraw/zinc/90/37/08/520903708.db2.gz DENNJDASYFAJFI-UHFFFAOYSA-N 1 0 254.171 3.076 10 0 CGAERO CCC[C@H](NC(=O)[C@H]([NH3+])CC(C)C)c1cccs1 ZINC000049547010 521140642 /nfs/dbraw/zinc/14/06/42/521140642.db2.gz ROSDPIUVXNOWJX-NEPJUHHUSA-N 1 0 268.426 3.079 10 0 CGAERO CCCC[C@H](C[NH2+]CCOC)Cc1cccc(F)c1 ZINC000054667050 521191921 /nfs/dbraw/zinc/19/19/21/521191921.db2.gz KSJLCZBDRQLXBI-HNNXBMFYSA-N 1 0 267.388 3.411 10 0 CGAERO CCC[C@](C)(C[NH2+]CC(C)C)Cc1cnn(CC)c1 ZINC000054657327 521267157 /nfs/dbraw/zinc/26/71/57/521267157.db2.gz DSUCVWYFODQTAQ-INIZCTEOSA-N 1 0 265.445 3.498 10 0 CGAERO CCCCc1ccc(NC(=O)C[C@H](C)[NH2+]CC)cc1 ZINC000061269540 521279162 /nfs/dbraw/zinc/27/91/62/521279162.db2.gz APPUJVQVFLDKIB-ZDUSSCGKSA-N 1 0 262.397 3.356 10 0 CGAERO CCN(Cc1cccs1)C[C@](C)([NH3+])c1ccccc1 ZINC000052883478 521406951 /nfs/dbraw/zinc/40/69/51/521406951.db2.gz TUDPEBDOMSCMFI-INIZCTEOSA-N 1 0 274.433 3.444 10 0 CGAERO CCC(CC)N(C)c1ccc(C(N)=[NH2+])cc1Cl ZINC000062794031 521543255 /nfs/dbraw/zinc/54/32/55/521543255.db2.gz YFGRLNAUHOWHEO-UHFFFAOYSA-N 1 0 253.777 3.249 10 0 CGAERO CCCn1c2ccc(Cl)cc2nc1[C@H]([NH3+])CCOC ZINC000052785239 521637014 /nfs/dbraw/zinc/63/70/14/521637014.db2.gz FEBGFPFRNIJTRD-LLVKDONJSA-N 1 0 281.787 3.136 10 0 CGAERO CCC1(C)CC[NH+]([C@@H]2Cc3ccccc3[C@@H]2N)CC1 ZINC000062952923 521678001 /nfs/dbraw/zinc/67/80/01/521678001.db2.gz HYAXQHSBJCQFLI-CVEARBPZSA-N 1 0 258.409 3.123 10 0 CGAERO C[NH2+]C[C@H](OC1CCCCC1)c1cccc(F)c1 ZINC000050487170 522076270 /nfs/dbraw/zinc/07/62/70/522076270.db2.gz BQHJVNXLIKABOS-HNNXBMFYSA-N 1 0 251.345 3.436 10 0 CGAERO CCc1csc(N2CCCC[C@@H]2C[NH2+]CC(C)C)n1 ZINC000061895171 522103034 /nfs/dbraw/zinc/10/30/34/522103034.db2.gz PHLODJPYFRJINH-CQSZACIVSA-N 1 0 281.469 3.310 10 0 CGAERO C[NH2+]Cc1ccc(CN(C)c2ccccc2F)cc1 ZINC000052543111 522117423 /nfs/dbraw/zinc/11/74/23/522117423.db2.gz ZPFQHABPRPYXFO-UHFFFAOYSA-N 1 0 258.340 3.182 10 0 CGAERO CC[C@H](C[NH2+]CC(C)C)n1nc(C)c(Cl)c1C ZINC000052574078 522195433 /nfs/dbraw/zinc/19/54/33/522195433.db2.gz NVFGURFUMHTWIL-GFCCVEGCSA-N 1 0 257.809 3.350 10 0 CGAERO C[NH2+][C@@H](C)c1cnc(Cc2cccc(Cl)c2)nc1C ZINC000054962687 522337873 /nfs/dbraw/zinc/33/78/73/522337873.db2.gz FGCZUMDAYPAYMG-JTQLQIEISA-N 1 0 275.783 3.310 10 0 CGAERO CCc1nc(N2CCC[C@H]2C2CCCC2)sc1C[NH3+] ZINC000054999471 522384982 /nfs/dbraw/zinc/38/49/82/522384982.db2.gz ODNZDGVEQPBFCY-ZDUSSCGKSA-N 1 0 279.453 3.323 10 0 CGAERO C[NH2+][C@@H]1CCCOc2c(C)cc(Br)cc21 ZINC000062665317 522387380 /nfs/dbraw/zinc/38/73/80/522387380.db2.gz GSCIYSCJKWSAMV-LLVKDONJSA-N 1 0 270.170 3.191 10 0 CGAERO C[NH2+][C@H](Cc1ccncc1)c1cc(Cl)ccc1OC ZINC000055229186 522475186 /nfs/dbraw/zinc/47/51/86/522475186.db2.gz QMEDZPCNOZUKQX-CQSZACIVSA-N 1 0 276.767 3.247 10 0 CGAERO C[NH2+][C@H](c1ccsc1)c1cc(OC)c(OC)cc1F ZINC000061560953 522485354 /nfs/dbraw/zinc/48/53/54/522485354.db2.gz FUVBRMPHGWSZDN-CQSZACIVSA-N 1 0 281.352 3.213 10 0 CGAERO C[NH2+][C@H]1CC(C)(C)Cc2nc(-c3ccccn3)sc21 ZINC000050331298 522487748 /nfs/dbraw/zinc/48/77/48/522487748.db2.gz OOWLIUHEPLDLQF-NSHDSACASA-N 1 0 273.405 3.438 10 0 CGAERO CC[C@@H]([NH2+][C@H]1CCCCC[C@@H]1O)c1cccs1 ZINC000049530308 522945141 /nfs/dbraw/zinc/94/51/41/522945141.db2.gz MZAOOVITHZFLGA-AGIUHOORSA-N 1 0 253.411 3.482 10 0 CGAERO CC[C@H]1CSC(N[C@@H](C)c2cccc(F)c2)=[NH+]1 ZINC000049531623 523355310 /nfs/dbraw/zinc/35/53/10/523355310.db2.gz XAANBQUURJORCG-CABZTGNLSA-N 1 0 252.358 3.358 10 0 CGAERO CO[C@@H]1CCC[C@@H]1NC1=[NH+]C2(CS1)CCC(C)CC2 ZINC000053101361 523634212 /nfs/dbraw/zinc/63/42/12/523634212.db2.gz QVVAFDMGWLHDCF-SBEAFCBVSA-N 1 0 282.453 3.195 10 0 CGAERO CCc1ccc(N2CC[C@H](C[NH2+]CC(C)C)C2)cc1 ZINC000053012461 523965311 /nfs/dbraw/zinc/96/53/11/523965311.db2.gz XRYHLVVPHYIENR-MRXNPFEDSA-N 1 0 260.425 3.321 10 0 CGAERO C[C@@H]1CCC[N@H+](Cc2cc(C(N)=S)ccc2F)[C@@H]1C ZINC000050564858 524233183 /nfs/dbraw/zinc/23/31/83/524233183.db2.gz DPUDVAQLMBQFPQ-GHMZBOCLSA-N 1 0 280.412 3.080 10 0 CGAERO C[C@@H]1CCCN([C@@H](C[NH3+])c2ccccc2Cl)[C@@H]1C ZINC000050563490 524244289 /nfs/dbraw/zinc/24/42/89/524244289.db2.gz FBXDDZDWNWQFNW-JMSVASOKSA-N 1 0 266.816 3.460 10 0 CGAERO C[C@H](C[NH2+]C(C)(C)C)N(C)Cc1ccc(F)cc1 ZINC000052346115 524479644 /nfs/dbraw/zinc/47/96/44/524479644.db2.gz FQVZKVQPIVZZKS-GFCCVEGCSA-N 1 0 252.377 3.034 10 0 CGAERO Cc1ccc(F)cc1[C@@]1([NH3+])CCc2ccccc2C1 ZINC000055197496 524874879 /nfs/dbraw/zinc/87/48/79/524874879.db2.gz APOQXKWIVYFGPQ-QGZVFWFLSA-N 1 0 255.336 3.477 10 0 CGAERO Cc1cc(Cl)cc2nc([C@@H]3CCC[NH2+]C3)oc21 ZINC000062536252 524878599 /nfs/dbraw/zinc/87/85/99/524878599.db2.gz HMNPQLNNCFXDFS-SECBINFHSA-N 1 0 250.729 3.257 10 0 CGAERO Cc1cc(Cl)ccc1OCc1occc1C[NH3+] ZINC000052677708 524906770 /nfs/dbraw/zinc/90/67/70/524906770.db2.gz MSXQTOCPCQDTOP-UHFFFAOYSA-N 1 0 251.713 3.279 10 0 CGAERO Cc1ccccc1CN(C)[C@H](C[NH2+]C(C)C)C(C)C ZINC000052547003 525131123 /nfs/dbraw/zinc/13/11/23/525131123.db2.gz BQZKKGURFHPAFM-QGZVFWFLSA-N 1 0 262.441 3.449 10 0 CGAERO C[C@]([NH3+])(C(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000052881151 525146679 /nfs/dbraw/zinc/14/66/79/525146679.db2.gz RYXIHSNYPWYTSM-OAHLLOKOSA-N 1 0 274.751 3.153 10 0 CGAERO Cc1ccccc1CS[C@H](C[NH3+])c1cccnc1 ZINC000054964022 525185525 /nfs/dbraw/zinc/18/55/25/525185525.db2.gz YGERSEKRXRDBQW-OAHLLOKOSA-N 1 0 258.390 3.323 10 0 CGAERO C[C@@H]1C[C@@H]([NH3+])CCN1c1cccc(C(F)(F)F)c1 ZINC000049708020 525247685 /nfs/dbraw/zinc/24/76/85/525247685.db2.gz HKAOSDOSVXZLPM-KOLCDFICSA-N 1 0 258.287 3.021 10 0 CGAERO COc1ccc([C@H](C)[NH2+]C2CC(OC(C)C)C2)cc1OC ZINC000186554185 525317160 /nfs/dbraw/zinc/31/71/60/525317160.db2.gz VRGKJMLJECVUSN-GRTSSRMGSA-N 1 0 293.407 3.310 10 0 CGAERO CSC1(C[NH2+]Cc2ccc(-c3cc[nH]n3)cc2)CC1 ZINC000311613537 525333851 /nfs/dbraw/zinc/33/38/51/525333851.db2.gz QYMHKUJBMIZMCS-UHFFFAOYSA-N 1 0 273.405 3.062 10 0 CGAERO C[C@@H]1C[C@H]([NH3+])CCN1c1ccccc1SC(F)F ZINC000049712208 525419052 /nfs/dbraw/zinc/41/90/52/525419052.db2.gz AWTDFGDKLBGZRF-NXEZZACHSA-N 1 0 272.364 3.317 10 0 CGAERO C[C@@H]([NH2+]CCSc1cc(F)ccc1F)[C@@H]1CCCO1 ZINC000053622231 525456510 /nfs/dbraw/zinc/45/65/10/525456510.db2.gz MAAMXBKKRQQOQP-MFKMUULPSA-N 1 0 287.375 3.214 10 0 CGAERO C[C@H]([NH2+]Cc1ccco1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000279743042 525466970 /nfs/dbraw/zinc/46/69/70/525466970.db2.gz PDBKPORUGDAFFC-STQMWFEESA-N 1 0 294.395 3.015 10 0 CGAERO Cc1ccc([C@@H](O)C[NH+]2CCC(C)(C)CC2)c(C)c1 ZINC000061821564 525778175 /nfs/dbraw/zinc/77/81/75/525778175.db2.gz SBCDBWKCXWFMHC-INIZCTEOSA-N 1 0 261.409 3.459 10 0 CGAERO Cc1ccsc1[C@H](C[NH3+])Oc1cc(F)cc(F)c1 ZINC000054932433 525889037 /nfs/dbraw/zinc/88/90/37/525889037.db2.gz YBWJZXOVDQAOBK-LBPRGKRZSA-N 1 0 269.316 3.414 10 0 CGAERO Cc1ccc([C@H](C)[NH2+][C@H](CN(C)C)C(C)C)s1 ZINC000049196830 525942863 /nfs/dbraw/zinc/94/28/63/525942863.db2.gz HNELBFNPYFVNHM-QWHCGFSZSA-N 1 0 254.443 3.293 10 0 CGAERO Cc1nnc(S[C@H](c2ccccc2Cl)[C@H](C)[NH3+])o1 ZINC000051037859 526389834 /nfs/dbraw/zinc/38/98/34/526389834.db2.gz XUKQYIUUVIFCNO-CPCISQLKSA-N 1 0 283.784 3.212 10 0 CGAERO c1ccc(CCCN2CC[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000062671224 526463890 /nfs/dbraw/zinc/46/38/90/526463890.db2.gz HHISMLWTQLTPLK-IBGZPJMESA-N 1 0 280.415 3.266 10 0 CGAERO Cc1nc(-c2c(F)cccc2Cl)sc1C[NH3+] ZINC000052903580 526559697 /nfs/dbraw/zinc/55/96/97/526559697.db2.gz BDYUESTYBZFVTN-UHFFFAOYSA-N 1 0 256.733 3.370 10 0 CGAERO Cc1nc(C)c([C@H](C)NC(=[NH2+])NC2CCCCC2)s1 ZINC000052047978 526751114 /nfs/dbraw/zinc/75/11/14/526751114.db2.gz HXTIHYYWEJQTCH-JTQLQIEISA-N 1 0 280.441 3.268 10 0 CGAERO Cc1nc(C2CCCC2)nc(C)c1C[NH2+]CC(C)C ZINC000054854497 526773049 /nfs/dbraw/zinc/77/30/49/526773049.db2.gz WMXNQRVHNOLTMG-UHFFFAOYSA-N 1 0 261.413 3.497 10 0 CGAERO Cc1nc(Cc2cccc(Cl)c2)ncc1[C@H](C)[NH3+] ZINC000054962499 526927334 /nfs/dbraw/zinc/92/73/34/526927334.db2.gz IZJVFURLXBVJPW-VIFPVBQESA-N 1 0 261.756 3.049 10 0 CGAERO Cc1nc(N2CCC[C@H](C)[C@@H]2C)sc1C[NH2+]C1CC1 ZINC000054998131 526966305 /nfs/dbraw/zinc/96/63/05/526966305.db2.gz FJCFEIHXBCYZGX-JQWIXIFHSA-N 1 0 279.453 3.328 10 0 CGAERO Cc1nc([C@H]2CCC[C@H](C)C2)nc(C)c1CCC[NH3+] ZINC000054836504 527083096 /nfs/dbraw/zinc/08/30/96/527083096.db2.gz WQJNSQCKVVGEHY-FZMZJTMJSA-N 1 0 261.413 3.278 10 0 CGAERO [NH3+][C@@H](c1ccc(F)c(Cl)c1)c1cncc(F)c1 ZINC000062792199 527338876 /nfs/dbraw/zinc/33/88/76/527338876.db2.gz WWQYJKTYFWBNBX-LBPRGKRZSA-N 1 0 254.667 3.061 10 0 CGAERO [NH3+][C@H](Cc1ccc(Br)cc1)CC1CCOCC1 ZINC000053816943 527388709 /nfs/dbraw/zinc/38/87/09/527388709.db2.gz IVRBWPXWWMGXLK-CQSZACIVSA-N 1 0 298.224 3.136 10 0 CGAERO CC(C)[C@H](O)C[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000164349431 527743340 /nfs/dbraw/zinc/74/33/40/527743340.db2.gz KAWIAEJBRSWLRJ-CVEARBPZSA-N 1 0 261.409 3.307 10 0 CGAERO CCOC(=O)CC[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000132693174 528737884 /nfs/dbraw/zinc/73/78/84/528737884.db2.gz FLZZJKLKCOTRQU-MRXNPFEDSA-N 1 0 275.392 3.243 10 0 CGAERO CC[C@H](CCO)[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000168445941 529332496 /nfs/dbraw/zinc/33/24/96/529332496.db2.gz JYQGCJFCBGIAFK-ZBFHGGJFSA-N 1 0 259.349 3.120 10 0 CGAERO CC(=O)N1CCCC2=C1C[C@@H]1C[C@@H](C)C[C@]23[NH2+]CCC[C@H]13 ZINC000004098386 560195543 /nfs/dbraw/zinc/19/55/43/560195543.db2.gz RBQBCMDKPKIDLR-MJXUCMMTSA-N 1 0 288.435 3.071 10 0 in-vitro CGAERO CC[N@@H+]1CC[C@@H]([NH3+])C12CCC(C(C)(C)CC)CC2 ZINC000711933773 567836778 /nfs/dbraw/zinc/83/67/78/567836778.db2.gz NGCFHYSUJOVRBM-NPCAHTBFSA-N 1 0 252.446 3.405 10 0 CGAERO CC[C@@H]([NH2+]C[C@H](O)COC(C)(C)C)C1CCCCC1 ZINC000052339373 572330828 /nfs/dbraw/zinc/33/08/28/572330828.db2.gz MCURCHNVYGNZQF-LSDHHAIUSA-N 1 0 271.445 3.111 10 0 CGAERO CCc1ccccc1NC(=O)[C@H]1CCc2nc(C)[nH]c2C1 ZINC000220590183 572427290 /nfs/dbraw/zinc/42/72/90/572427290.db2.gz ZYSQEMDGLYCASV-ZDUSSCGKSA-N 1 0 283.375 3.024 10 0 CGAERO CCC1(CC)OC2(CCSCC2)[NH2+]CC1(C)C ZINC000757149046 617808747 /nfs/dbraw/zinc/80/87/47/617808747.db2.gz VULOWMOAAPAOIX-UHFFFAOYSA-N 1 0 257.443 3.415 10 0 CGAERO CCC1(C[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000175867610 618001676 /nfs/dbraw/zinc/00/16/76/618001676.db2.gz YPNSJYSBKLWLGB-CQSZACIVSA-N 1 0 296.455 3.413 10 0 CGAERO Cc1c(C[NH2+][C@H](C)Cc2ccccc2Cl)cnn1C ZINC000093649469 618216691 /nfs/dbraw/zinc/21/66/91/618216691.db2.gz GXHMXOFFJRIXLK-LLVKDONJSA-N 1 0 277.799 3.103 10 0 CGAERO Cc1ncsc1CC[N@@H+](C)C/C=C/c1ccco1 ZINC000065531890 618567184 /nfs/dbraw/zinc/56/71/84/618567184.db2.gz ISQNLOPRVRFVPC-HWKANZROSA-N 1 0 262.378 3.232 10 0 CGAERO C[C@@H]([NH3+])Cc1ccc(-c2cccc3c2OCCO3)cc1 ZINC000313318898 619166988 /nfs/dbraw/zinc/16/69/88/619166988.db2.gz GQTPJNPFLUWQFI-GFCCVEGCSA-N 1 0 269.344 3.015 10 0 CGAERO Clc1cccc(O[C@@H]2CC[N@H+](C[C@H]3CCC=CO3)C2)c1 ZINC000248822542 619215973 /nfs/dbraw/zinc/21/59/73/619215973.db2.gz FJGCOBNUMPONGP-HZPDHXFCSA-N 1 0 293.794 3.486 10 0 CGAERO CCN1CCC[C@@H]([NH2+][C@H](C)c2cc(Cl)ccc2O)C1 ZINC000248532213 619216430 /nfs/dbraw/zinc/21/64/30/619216430.db2.gz YIYWKQCTVONUIM-DGCLKSJQSA-N 1 0 282.815 3.181 10 0 CGAERO CC(C)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2O)C1 ZINC000252952168 619217907 /nfs/dbraw/zinc/21/79/07/619217907.db2.gz NGJZJCDNVJQEGT-TYNCELHUSA-N 1 0 296.842 3.425 10 0 CGAERO C[C@H](NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+])c1cc(F)ccc1F ZINC000094750337 619287641 /nfs/dbraw/zinc/28/76/41/619287641.db2.gz RXLZYIILMKKJQZ-NVBFEUDRSA-N 1 0 296.361 3.050 10 0 CGAERO Cc1ccnc(NCCCCCC[NH3+])c1Br ZINC000235789364 619302385 /nfs/dbraw/zinc/30/23/85/619302385.db2.gz MEOBCZLZQQQLHY-UHFFFAOYSA-N 1 0 286.217 3.084 10 0 CGAERO C[C@@H]([NH3+])CCNC(=O)c1sc2ccccc2c1Cl ZINC000178622680 619310621 /nfs/dbraw/zinc/31/06/21/619310621.db2.gz IFHUSKYFYMFYNL-MRVPVSSYSA-N 1 0 282.796 3.022 10 0 CGAERO C[C@H](C[NH3+])c1noc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000054158740 619444661 /nfs/dbraw/zinc/44/46/61/619444661.db2.gz YFBWNUGJRFUCCH-ZCFIWIBFSA-N 1 0 272.135 3.106 10 0 CGAERO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000310882149 620329250 /nfs/dbraw/zinc/32/92/50/620329250.db2.gz WDOPOVSVIQZMKZ-BBBLOLIVSA-N 1 0 286.828 3.109 10 0 CGAERO CO[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cc(F)ccc1F ZINC000251424928 620372798 /nfs/dbraw/zinc/37/27/98/620372798.db2.gz IAKVONWETDHXHJ-BIGNPOOSSA-N 1 0 255.308 3.183 10 0 CGAERO CC[C@H]([NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC1 ZINC000322530499 620519715 /nfs/dbraw/zinc/51/97/15/620519715.db2.gz MBQHCSVMETXEDY-HIFRSBDPSA-N 1 0 296.455 3.412 10 0 CGAERO Cc1ccsc1C(=O)NCC1(C[NH+]2CCCCC2)CC1 ZINC000223563936 622863131 /nfs/dbraw/zinc/86/31/31/622863131.db2.gz MNGSPDYTMMDNHH-UHFFFAOYSA-N 1 0 292.448 3.052 10 0 CGAERO Cc1cc2ncn(C[N@@H+]3CCS[C@@H](C)C3)c2cc1C ZINC000171606615 623179292 /nfs/dbraw/zinc/17/92/92/623179292.db2.gz MRHLVXLGUAYNDM-ZDUSSCGKSA-N 1 0 275.421 3.048 10 0 CGAERO CCC1CCC(c2noc(C[NH2+]CC3CC3)n2)CC1 ZINC000087933453 623320926 /nfs/dbraw/zinc/32/09/26/623320926.db2.gz YSMIFXYXPWVSOY-UHFFFAOYSA-N 1 0 263.385 3.253 10 0 CGAERO CCCCCC[C@@H](C)CC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170868588 624694700 /nfs/dbraw/zinc/69/47/00/624694700.db2.gz WTKDMWIWYWPURI-CABCVRRESA-N 1 0 268.445 3.146 10 0 CGAERO CC1(C)CC[N@H+](C[C@@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000076015463 624970737 /nfs/dbraw/zinc/97/07/37/624970737.db2.gz UDAAPRXGAGZMHP-CYBMUJFWSA-N 1 0 287.325 3.471 10 0 CGAERO CC(C)Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C2CC2)cc1 ZINC000071299805 625074869 /nfs/dbraw/zinc/07/48/69/625074869.db2.gz HJPRKJDXBWCINW-CXAGYDPISA-N 1 0 261.409 3.307 10 0 CGAERO CCC[N@@H+]1CCC[C@@H](c2cccc(OC)c2F)C1 ZINC000757566918 630399633 /nfs/dbraw/zinc/39/96/33/630399633.db2.gz MUDBYPFVIMGDOT-GFCCVEGCSA-N 1 0 251.345 3.424 10 0 CGAERO CCOc1cc(F)ccc1[C@@H]1CCC[N@H+](CC)C1 ZINC000757572818 630509778 /nfs/dbraw/zinc/50/97/78/630509778.db2.gz UGZLNUGWOZKGRS-GFCCVEGCSA-N 1 0 251.345 3.424 10 0 CGAERO FC(F)(F)[C@@H]1CCC[C@@]2(C1)[NH2+]CC1(CCC1)CO2 ZINC000757138276 630586193 /nfs/dbraw/zinc/58/61/93/630586193.db2.gz BHFPMSUOTUTGKU-ZYHUDNBSSA-N 1 0 263.303 3.225 10 0 CGAERO CCc1nccn1[C@@H]1CCC[N@H+](CCc2cccs2)C1 ZINC000106212392 636158815 /nfs/dbraw/zinc/15/88/15/636158815.db2.gz DFFPYLYMJDLBDG-CQSZACIVSA-N 1 0 289.448 3.387 10 0 CGAERO C[C@@H]([NH2+][C@@H](C)c1cnn(-c2ccccc2)c1)[C@@H]1CCCO1 ZINC000130051235 636412255 /nfs/dbraw/zinc/41/22/55/636412255.db2.gz KNMFZRWJJJUBCE-VBQJREDUSA-N 1 0 285.391 3.090 10 0 CGAERO C[C@@H]([NH2+]CC[S@@](C)=O)c1ccc(-c2ccccc2)cc1 ZINC000131420906 636653453 /nfs/dbraw/zinc/65/34/53/636653453.db2.gz DDSCYRBDSQVFKV-VLIAUNLRSA-N 1 0 287.428 3.383 10 0 CGAERO Cc1ccc(C[NH2+]C(C)(C)CNC(=O)OC(C)(C)C)cc1 ZINC000221051159 637718037 /nfs/dbraw/zinc/71/80/37/637718037.db2.gz XUZCKSJGKNYRPG-UHFFFAOYSA-N 1 0 292.423 3.388 10 0 CGAERO C[C@H](CC[NH2+][C@H](C)CC1CCC1)NC(=O)OC(C)(C)C ZINC000221963022 637770910 /nfs/dbraw/zinc/77/09/10/637770910.db2.gz FOLICEPSVLFTFI-CHWSQXEVSA-N 1 0 284.444 3.458 10 0 CGAERO CC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C ZINC000221977090 637771045 /nfs/dbraw/zinc/77/10/45/637771045.db2.gz JBHPPLKAGUKYNV-MCIONIFRSA-N 1 0 284.444 3.458 10 0 CGAERO C[C@H](c1nc([C@H]2CC2(C)C)no1)[C@H]([NH3+])c1ccccc1 ZINC000300417020 637837983 /nfs/dbraw/zinc/83/79/83/637837983.db2.gz GYNGRKGPGZSRRS-UHTWSYAYSA-N 1 0 271.364 3.387 10 0 CGAERO CC(=O)[C@@H]1CCC[N@H+](CCSc2ccccc2)C1 ZINC000113652294 638217910 /nfs/dbraw/zinc/21/79/10/638217910.db2.gz IWBBVTWYXGNSCJ-CQSZACIVSA-N 1 0 263.406 3.080 10 0 CGAERO C[C@@H]([NH2+][C@@H]1COc2ccccc21)C1CCSCC1 ZINC000187321213 638537419 /nfs/dbraw/zinc/53/74/19/638537419.db2.gz VDOLVACAKCVBSR-BXUZGUMPSA-N 1 0 263.406 3.241 10 0 CGAERO C[C@@H]1C[NH2+]C[C@H]1c1nc(C2CCCCCCC2)no1 ZINC000158839501 640019980 /nfs/dbraw/zinc/01/99/80/640019980.db2.gz AEHKIQFAFHYTCU-DGCLKSJQSA-N 1 0 263.385 3.220 10 0 CGAERO C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C[NH3+])c1cccc(Cl)c1 ZINC000089393481 640644721 /nfs/dbraw/zinc/64/47/21/640644721.db2.gz RKTWYSSKNUSDOD-NJZAAPMLSA-N 1 0 294.826 3.282 10 0 CGAERO CC(C)=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248624263 640772713 /nfs/dbraw/zinc/77/27/13/640772713.db2.gz UMRHDZYFUICZEZ-KKUMJFAQSA-N 1 0 294.439 3.188 10 0 CGAERO CCO[C@@H]1C[C@@H]([N@H+](C)CCC(=O)CC)C12CCCC2 ZINC000249134957 640793743 /nfs/dbraw/zinc/79/37/43/640793743.db2.gz YOPVGDJVRKJLHC-HUUCEWRRSA-N 1 0 267.413 3.025 10 0 CGAERO CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000251171880 640822769 /nfs/dbraw/zinc/82/27/69/640822769.db2.gz ZNCUQSJBOGXIJU-KCPJHIHWSA-N 1 0 251.345 3.352 10 0 CGAERO Cc1ccc(OCC[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000251254253 640823666 /nfs/dbraw/zinc/82/36/66/640823666.db2.gz COMNMILBYGYGDG-WMZOPIPTSA-N 1 0 289.419 3.001 10 0 CGAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CN2CCC[C@H]2CO1 ZINC000252564610 640854301 /nfs/dbraw/zinc/85/43/01/640854301.db2.gz YDEHZGYYBRBCFW-NXOAAHMSSA-N 1 0 294.483 3.044 10 0 CGAERO CC(C)[C@@H]([NH3+])Cc1nc(CSc2ccc(F)cc2)no1 ZINC000097331176 640862546 /nfs/dbraw/zinc/86/25/46/640862546.db2.gz CVKNJZJWYRPQJV-LBPRGKRZSA-N 1 0 295.383 3.027 10 0 CGAERO CC[NH2+][C@H](C)C(=O)N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000621344261 349502063 /nfs/dbraw/zinc/50/20/63/349502063.db2.gz APBJTDKPFMXQMW-ZIAGYGMSSA-N 1 0 276.424 3.060 10 0 CGAERO CSCc1nc(C(C)C)c(C[NH2+]C2CC2)s1 ZINC000082432668 178010294 /nfs/dbraw/zinc/01/02/94/178010294.db2.gz POQLMIKTQZOCFS-UHFFFAOYSA-N 1 0 256.440 3.382 10 0 CGAERO CC(C)[NH2+]Cc1sc(-c2cnccn2)nc1C(C)C ZINC000082434957 178012136 /nfs/dbraw/zinc/01/21/36/178012136.db2.gz MDBMCIJAKMPYHD-UHFFFAOYSA-N 1 0 276.409 3.222 10 0 CGAERO COc1cccc(-c2nc(C3CC3)c(C[NH3+])s2)c1 ZINC000082436671 178014420 /nfs/dbraw/zinc/01/44/20/178014420.db2.gz NTZFLCFFTBSSEF-UHFFFAOYSA-N 1 0 260.362 3.155 10 0 CGAERO [NH3+][C@@H]1[C@@H]2CC[C@H]1Cc1cc(C(F)(F)F)ccc1C2 ZINC000095917700 185030715 /nfs/dbraw/zinc/03/07/15/185030715.db2.gz UVNYVVKDIUFMML-GBIKHYSHSA-N 1 0 255.283 3.158 10 0 CGAERO CCn1cnnc1C1CC[NH+](CCc2ccc(C)cc2)CC1 ZINC000124660548 187147928 /nfs/dbraw/zinc/14/79/28/187147928.db2.gz AMTCAKVYPXAYGC-UHFFFAOYSA-N 1 0 298.434 3.029 10 0 CGAERO C[NH2+]Cc1cnn(-c2cc(C)ccc2C)c1C(F)(F)F ZINC000082661803 178149255 /nfs/dbraw/zinc/14/92/55/178149255.db2.gz MPHPBXWIBBRXLG-UHFFFAOYSA-N 1 0 283.297 3.227 10 0 CGAERO CC[NH2+]Cc1cnn(-c2ccc(C)cc2)c1C(F)(F)F ZINC000082661647 178149536 /nfs/dbraw/zinc/14/95/36/178149536.db2.gz UOMTWSCVIRYHEP-UHFFFAOYSA-N 1 0 283.297 3.309 10 0 CGAERO O=[S@](CC1CC[NH2+]CC1)c1c(Cl)cccc1Cl ZINC000083308915 178380013 /nfs/dbraw/zinc/38/00/13/178380013.db2.gz MDFGIGXUGCNAMC-KRWDZBQOSA-N 1 0 292.231 3.101 10 0 CGAERO Cc1ccc(Br)cc1C[C@@H]1CCC[NH2+]1 ZINC000083255786 178371586 /nfs/dbraw/zinc/37/15/86/178371586.db2.gz BUOADZKCVKANDW-LBPRGKRZSA-N 1 0 254.171 3.052 10 0 CGAERO Cc1ccc([C@H]2[C@H]([NH3+])CCN2Cc2ccccc2)cc1 ZINC000096947862 185137822 /nfs/dbraw/zinc/13/78/22/185137822.db2.gz BXJMGLNFVJVTDD-MSOLQXFVSA-N 1 0 266.388 3.269 10 0 CGAERO CC(C)[C@@H]1CN([C@@H](C)c2ccc(F)cc2)[C@@H](C)C[NH2+]1 ZINC000083479814 178496345 /nfs/dbraw/zinc/49/63/45/178496345.db2.gz UNLJADXXZNAUIL-XEZPLFJOSA-N 1 0 264.388 3.205 10 0 CGAERO C[C@H](NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)C(C)(C)C ZINC000112460239 299090328 /nfs/dbraw/zinc/09/03/28/299090328.db2.gz WNUGRBOWCHZXSH-GJZGRUSLSA-N 1 0 295.471 3.081 10 0 CGAERO COc1cc(-c2nc(C3([NH3+])CCCCC3)no2)ccc1F ZINC000127862706 187337514 /nfs/dbraw/zinc/33/75/14/187337514.db2.gz FFGVIBUTIKPSJH-UHFFFAOYSA-N 1 0 291.326 3.002 10 0 CGAERO c1cnn(CC2CCN(c3cc[nH+]c4ccccc43)CC2)c1 ZINC000134203683 136391360 /nfs/dbraw/zinc/39/13/60/136391360.db2.gz MKXPZHBHZKNLFQ-UHFFFAOYSA-N 1 0 292.386 3.348 10 0 CGAERO C[C@@H]1[C@@H](c2ccccc2)c2cc(N)ccc2C[N@@H+]1C ZINC000002006593 344857110 /nfs/dbraw/zinc/85/71/10/344857110.db2.gz CSUHFLUDKKMUSA-PXAZEXFGSA-N 1 0 252.361 3.235 10 0 CGAERO CSC[C@@H]1C[C@H]2c3cccc4[nH]cc(c43)C[C@H]2[N@H+](C)C1 ZINC000033884201 344937285 /nfs/dbraw/zinc/93/72/85/344937285.db2.gz HEZLHSNBFOCKCQ-DIOULYMOSA-N 1 0 286.444 3.491 10 0 CGAERO CC(C)C[C@@H](NC(=O)C1CCC([NH3+])CC1)c1ccccc1 ZINC000037628747 344952044 /nfs/dbraw/zinc/95/20/44/344952044.db2.gz YZOFXHCYVVYXJJ-OFLPRAFFSA-N 1 0 288.435 3.408 10 0 CGAERO CC(C)C[C@H]([NH3+])C(=O)N(C)Cc1ccc(C(C)(C)C)cc1 ZINC000037798255 344952975 /nfs/dbraw/zinc/95/29/75/344952975.db2.gz XKGNXSVFVUXFJA-INIZCTEOSA-N 1 0 290.451 3.316 10 0 CGAERO CCCOc1ccc([C@H](C)[NH2+]Cc2cn[nH]c2)cc1 ZINC000038005724 344954108 /nfs/dbraw/zinc/95/41/08/344954108.db2.gz LHWWETMFQVBVAM-LBPRGKRZSA-N 1 0 259.353 3.049 10 0 CGAERO [NH3+][C@@H](Cc1ccc(Br)cc1)C1CCC1 ZINC000038128409 344954763 /nfs/dbraw/zinc/95/47/63/344954763.db2.gz UDPSBKINSLYCPQ-LBPRGKRZSA-N 1 0 254.171 3.119 10 0 CGAERO c1cc2c(cc1SCC[C@H]1CCCC[NH2+]1)OCCCO2 ZINC000039286971 344959340 /nfs/dbraw/zinc/95/93/40/344959340.db2.gz KSZQHEITHKNWNN-CYBMUJFWSA-N 1 0 293.432 3.472 10 0 CGAERO CC(C)C[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000037027805 344946822 /nfs/dbraw/zinc/94/68/22/344946822.db2.gz UTIFTDLDNBQTNY-XJKSGUPXSA-N 1 0 276.424 3.361 10 0 CGAERO O[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC000037164335 344948179 /nfs/dbraw/zinc/94/81/79/344948179.db2.gz UBYIAEMXAGHNID-MNOVXSKESA-N 1 0 274.191 3.387 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)CCc1ccco1 ZINC000037167298 344948237 /nfs/dbraw/zinc/94/82/37/344948237.db2.gz RUCZBBPVHGUGBN-LSDHHAIUSA-N 1 0 266.429 3.167 10 0 CGAERO [NH3+][C@H]1CCC[C@@H]1Cc1ccc(Br)s1 ZINC000042398064 344983024 /nfs/dbraw/zinc/98/30/24/344983024.db2.gz JESGMVJAPRLOEG-APPZFPTMSA-N 1 0 260.200 3.181 10 0 CGAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]Cc1cnns1 ZINC000295090097 199340432 /nfs/dbraw/zinc/34/04/32/199340432.db2.gz ZASXPZUGOLYSAZ-CQSZACIVSA-N 1 0 273.405 3.341 10 0 CGAERO CS[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043096409 344994667 /nfs/dbraw/zinc/99/46/67/344994667.db2.gz MFBUFPRKNGYCAU-GMSGAONNSA-N 1 0 260.200 3.200 10 0 CGAERO C[NH2+][C@H]1c2cc(Br)ccc2S[C@H]1C ZINC000043642048 345002106 /nfs/dbraw/zinc/00/21/06/345002106.db2.gz IAQBPVDNGMEVPU-QUBYGPBYSA-N 1 0 258.184 3.204 10 0 CGAERO C[NH2+][C@H]1c2cc(Br)ccc2S[C@@H]1C ZINC000043642047 345002614 /nfs/dbraw/zinc/00/26/14/345002614.db2.gz IAQBPVDNGMEVPU-LHLIQPBNSA-N 1 0 258.184 3.204 10 0 CGAERO FC(F)(F)c1cccc(COCC2CC[NH2+]CC2)c1 ZINC000051815062 345093359 /nfs/dbraw/zinc/09/33/59/345093359.db2.gz NCBJVOILZCODLL-UHFFFAOYSA-N 1 0 273.298 3.222 10 0 CGAERO CC[C@](C)([NH3+])Cc1ccc(Br)cc1F ZINC000053758165 345124798 /nfs/dbraw/zinc/12/47/98/345124798.db2.gz AFFDPSRSWGCXFD-NSHDSACASA-N 1 0 260.150 3.258 10 0 CGAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1ccc(C(F)(F)F)cc1 ZINC000054290118 345131901 /nfs/dbraw/zinc/13/19/01/345131901.db2.gz JUALXDLRSCZMDJ-SNVBAGLBSA-N 1 0 286.297 3.034 10 0 CGAERO CC(C)c1ccc(CN(C)C(=O)C[C@H]2CCC[NH2+]C2)cc1 ZINC000054307818 345132573 /nfs/dbraw/zinc/13/25/73/345132573.db2.gz JWHIQJJGVIIFCE-MRXNPFEDSA-N 1 0 288.435 3.158 10 0 CGAERO C[NH2+][C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000055421282 345148323 /nfs/dbraw/zinc/14/83/23/345148323.db2.gz YIUNSCGXFGMNKC-GFCCVEGCSA-N 1 0 270.332 3.025 10 0 CGAERO FC(F)(F)c1ccc(-c2cnc3c(c2)CC[NH2+]C3)cc1 ZINC000072266132 345408067 /nfs/dbraw/zinc/40/80/67/345408067.db2.gz PQHAGLBWTZFTSO-UHFFFAOYSA-N 1 0 278.277 3.413 10 0 CGAERO C[C@H]1CSC(NCc2cc(Br)cs2)=[NH+]1 ZINC000070600747 345392521 /nfs/dbraw/zinc/39/25/21/345392521.db2.gz WFNBLWFQSUOGNS-LURJTMIESA-N 1 0 291.239 3.092 10 0 CGAERO CCn1nc(C)c([C@H](C)[NH2+][C@@H]2CCCSC2)c1C ZINC000132473240 232194735 /nfs/dbraw/zinc/19/47/35/232194735.db2.gz LISQPRKNQYUJMW-GXFFZTMASA-N 1 0 267.442 3.066 10 0 CGAERO CCC[N@@H+]1CCCN(c2cccc(C(F)(F)F)n2)CC1 ZINC000078251342 345596134 /nfs/dbraw/zinc/59/61/34/345596134.db2.gz DUXAOWTVGDRIIU-UHFFFAOYSA-N 1 0 287.329 3.023 10 0 CGAERO Cc1csc([C@H](C)[NH2+]CC2C[C@H](C)O[C@@H](C)C2)n1 ZINC000623978010 349933960 /nfs/dbraw/zinc/93/39/60/349933960.db2.gz HFHPHJWUFLPRST-SRVKXCTJSA-N 1 0 268.426 3.306 10 0 CGAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000162830135 232255488 /nfs/dbraw/zinc/25/54/88/232255488.db2.gz GFSPBFYLTPSGDC-SMDDNHRTSA-N 1 0 271.763 3.120 10 0 CGAERO CCc1cc(N2CC[C@@H](C)[C@H](O)C2)c2ccccc2[nH+]1 ZINC000092977550 345865339 /nfs/dbraw/zinc/86/53/39/345865339.db2.gz UVVPHHNQBNBBMH-SJKOYZFVSA-N 1 0 270.376 3.004 10 0 CGAERO N#Cc1ccc(-c2ccc3c(c2)CC2(CC[NH2+]CC2)O3)cc1 ZINC000114728248 345966957 /nfs/dbraw/zinc/96/69/57/345966957.db2.gz HDLQNGAIUVCAIL-UHFFFAOYSA-N 1 0 290.366 3.282 10 0 CGAERO C[C@H]1[NH2+]CCc2c(Br)cc(Cl)cc21 ZINC000126650608 346025652 /nfs/dbraw/zinc/02/56/52/346025652.db2.gz QUWXJQXCQOVJTR-ZCFIWIBFSA-N 1 0 260.562 3.309 10 0 CGAERO C[C@]1(c2ccc(Br)cc2Cl)C[C@@H]1[NH3+] ZINC000135058071 346085674 /nfs/dbraw/zinc/08/56/74/346085674.db2.gz HGIROMZPYHSAJY-VHSXEESVSA-N 1 0 260.562 3.091 10 0 CGAERO CCN1CCO[C@H](C[NH2+]C2CCC(C(C)(C)CC)CC2)C1 ZINC000135179094 346086522 /nfs/dbraw/zinc/08/65/22/346086522.db2.gz VBESDEOCBJOWJT-OFLPRAFFSA-N 1 0 296.499 3.292 10 0 CGAERO [NH3+]C[C@@H]1COc2cccc(-c3ccccc3Cl)c2O1 ZINC000136631882 346091849 /nfs/dbraw/zinc/09/18/49/346091849.db2.gz PJYZCLCLLHMPBV-SNVBAGLBSA-N 1 0 275.735 3.106 10 0 CGAERO O=C1CCCC2=C1CC[C@@H]([NH2+]CCc1cccs1)C2 ZINC000137665884 346095045 /nfs/dbraw/zinc/09/50/45/346095045.db2.gz HVDVDXUWIINBQB-CYBMUJFWSA-N 1 0 275.417 3.482 10 0 CGAERO Cc1ccc(C)c(-c2cccc3c2O[C@@H](C[NH3+])C3)c1 ZINC000139699682 346101654 /nfs/dbraw/zinc/10/16/54/346101654.db2.gz YQZUVEKPESLTIZ-CQSZACIVSA-N 1 0 253.345 3.233 10 0 CGAERO CC1(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CC[C@@H]1O ZINC000140089735 346102770 /nfs/dbraw/zinc/10/27/70/346102770.db2.gz DBENBSDQSQGZRS-ZACQAIPSSA-N 1 0 273.420 3.306 10 0 CGAERO C[NH2+]Cc1ccccc1[C@H](O)c1ccccc1Cl ZINC000142899299 346112773 /nfs/dbraw/zinc/11/27/73/346112773.db2.gz XGVHQURASNGILG-HNNXBMFYSA-N 1 0 261.752 3.141 10 0 CGAERO CC[C@H]1CN(c2nc3ccc(Cl)cc3s2)CC[NH2+]1 ZINC000145803451 346121452 /nfs/dbraw/zinc/12/14/52/346121452.db2.gz KRRZKNJEWLHOMV-JTQLQIEISA-N 1 0 281.812 3.138 10 0 CGAERO CC(C)[C@](F)(C[NH3+])c1cscc1Br ZINC000158387495 346164509 /nfs/dbraw/zinc/16/45/09/346164509.db2.gz JPPZZFMVLYTHOW-SECBINFHSA-N 1 0 266.179 3.290 10 0 CGAERO C[C@@H](NC(=O)N1CCC(CCC[NH+](C)C)CC1)C(C)(C)C ZINC000162054319 346178175 /nfs/dbraw/zinc/17/81/75/346178175.db2.gz KUPYMIPMDLIVCQ-CQSZACIVSA-N 1 0 297.487 3.184 10 0 CGAERO CC(C)C[C@H]([NH3+])c1c(F)c(F)c(F)c(F)c1F ZINC000168009858 346189759 /nfs/dbraw/zinc/18/97/59/346189759.db2.gz JUUGCFUVOXZNGG-YFKPBYRVSA-N 1 0 253.214 3.428 10 0 CGAERO CC[C@H]1C[C@@]1([NH3+])c1ccc(F)c(Br)c1 ZINC000169252233 346192862 /nfs/dbraw/zinc/19/28/62/346192862.db2.gz FOCYTZOFOZFSBI-CPCISQLKSA-N 1 0 258.134 3.172 10 0 CGAERO CN(C(=O)OC(C)(C)C)c1ccccc1[C@@H]1CC[NH2+]C1 ZINC000218940524 346294303 /nfs/dbraw/zinc/29/43/03/346294303.db2.gz GJIYACFBIIXIQB-GFCCVEGCSA-N 1 0 276.380 3.135 10 0 CGAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])[C@H]1c1ccccc1Cl ZINC000219321934 346294837 /nfs/dbraw/zinc/29/48/37/346294837.db2.gz ZLSHUQFNBIRADS-QWHCGFSZSA-N 1 0 296.798 3.349 10 0 CGAERO C[NH+](C)C[C@@H](Cc1ccccc1)[C@H](O)c1ccccc1 ZINC000223782686 346301629 /nfs/dbraw/zinc/30/16/29/346301629.db2.gz MNLLUJDAMQVVJG-QZTJIDSGSA-N 1 0 269.388 3.141 10 0 CGAERO CCC(CC)[C@@H](CC(C)(C)NC(C)=O)C1CC[NH2+]CC1 ZINC000224708551 346302306 /nfs/dbraw/zinc/30/23/06/346302306.db2.gz NDZXOEWCGSMTMG-MRXNPFEDSA-N 1 0 282.472 3.343 10 0 CGAERO C[C@H]([NH2+]C1CSC1)c1cccc(Br)c1 ZINC000215871152 346289485 /nfs/dbraw/zinc/28/94/85/346289485.db2.gz 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10 0 CGAERO CC(C)c1nc(N[C@@H]2CCC[NH2+]C2)cc(-c2ccccc2)n1 ZINC000070456601 369801202 /nfs/dbraw/zinc/80/12/02/369801202.db2.gz XTUVZHZFGBJEGF-OAHLLOKOSA-N 1 0 296.418 3.431 10 0 CGAERO Cc1cc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)no1 ZINC000076108133 369930564 /nfs/dbraw/zinc/93/05/64/369930564.db2.gz QYZMBFKKLDIOPV-IRXDYDNUSA-N 1 0 286.375 3.071 10 0 CGAERO c1cc(C[N@H+]2CC[C@H](CNc3ccccn3)C2)cs1 ZINC000092812918 370103344 /nfs/dbraw/zinc/10/33/44/370103344.db2.gz SXYXDCASXZOJIE-CYBMUJFWSA-N 1 0 273.405 3.077 10 0 CGAERO C[NH2+]Cc1cc2ccccc2n1Cc1ccc(O)cc1 ZINC000094689189 370167886 /nfs/dbraw/zinc/16/78/86/370167886.db2.gz CSKSGUCORWLRPC-UHFFFAOYSA-N 1 0 266.344 3.115 10 0 CGAERO Cc1cnn(CC[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)c1 ZINC000112552168 370433198 /nfs/dbraw/zinc/43/31/98/370433198.db2.gz UVFAYUNNJLZENN-NSHDSACASA-N 1 0 281.762 3.335 10 0 CGAERO CCCCC[N@@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000117876717 370600722 /nfs/dbraw/zinc/60/07/22/370600722.db2.gz HBDDPITUJBODAS-OAHLLOKOSA-N 1 0 261.413 3.314 10 0 CGAERO CCOC(=O)CCC[N@H+]1CC=C(c2cccs2)CC1 ZINC000117896576 370602829 /nfs/dbraw/zinc/60/28/29/370602829.db2.gz DWXKJMJHDIDZMD-UHFFFAOYSA-N 1 0 279.405 3.181 10 0 CGAERO Cc1ccc(NC(=O)N2CC[C@H](C)C[C@H]2C[NH3+])cc1Cl ZINC000235632317 189829305 /nfs/dbraw/zinc/82/93/05/189829305.db2.gz DMIPANHFUPHRGN-GWCFXTLKSA-N 1 0 295.814 3.240 10 0 CGAERO C[C@@H]1CCC[C@@H](C[NH+]2CCC(Nc3cccnn3)CC2)C1 ZINC000133382752 371247928 /nfs/dbraw/zinc/24/79/28/371247928.db2.gz HGYKXAPBRMEKOJ-HUUCEWRRSA-N 1 0 288.439 3.179 10 0 CGAERO CCn1nc(C)c([C@@H](C)[NH2+]C[C@]2(C)CCCS2)c1C ZINC000133976058 371292163 /nfs/dbraw/zinc/29/21/63/371292163.db2.gz VDKMFEBTCKGMKZ-ABAIWWIYSA-N 1 0 281.469 3.456 10 0 CGAERO C[C@H](CCC(C)(C)C)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000153867268 371796227 /nfs/dbraw/zinc/79/62/27/371796227.db2.gz ZUSQHAYARPFNDY-HUUCEWRRSA-N 1 0 295.471 3.081 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1ccc(Cl)cc1 ZINC000037165087 541862245 /nfs/dbraw/zinc/86/22/45/541862245.db2.gz IAJPIQAZNDALOF-GDLCADMTSA-N 1 0 253.773 3.294 10 0 CGAERO CC[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1ccc(F)cc1 ZINC000037166062 541862470 /nfs/dbraw/zinc/86/24/70/541862470.db2.gz DEYSRUHXJZXNGD-KKUMJFAQSA-N 1 0 251.345 3.170 10 0 CGAERO CCOc1ccccc1[C@H](C)[NH2+][C@H]1CCC[C@H](O)C1 ZINC000037165208 541862933 /nfs/dbraw/zinc/86/29/33/541862933.db2.gz NGTIPUHUDLIUQK-IHRRRGAJSA-N 1 0 263.381 3.039 10 0 CGAERO CCC[C@@H](C(=O)N1CCC[C@@]2(CC=CCC2)C1)[NH+](C)C ZINC000156949238 372001080 /nfs/dbraw/zinc/00/10/80/372001080.db2.gz RTHAVMYNYICMLA-RDJZCZTQSA-N 1 0 278.440 3.066 10 0 CGAERO CCCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(C)c1 ZINC000157284179 372014193 /nfs/dbraw/zinc/01/41/93/372014193.db2.gz ZCQGKUXISANBIX-HUUCEWRRSA-N 1 0 276.424 3.341 10 0 CGAERO Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CCC[C@H](O)C2)c1 ZINC000040500752 541866600 /nfs/dbraw/zinc/86/66/00/541866600.db2.gz QOWDNORKSTVTQR-UAGQMJEPSA-N 1 0 261.409 3.209 10 0 CGAERO CCC[C@H](C(=O)NCCCc1ccc(Cl)cc1)[NH+](C)C ZINC000161884898 372358508 /nfs/dbraw/zinc/35/85/08/372358508.db2.gz NOJFRIARYHKGFG-OAHLLOKOSA-N 1 0 296.842 3.119 10 0 CGAERO CCC[C@@H](C(=O)Nc1ccc2oc(CC)nc2c1)[NH+](C)C ZINC000161980048 372364001 /nfs/dbraw/zinc/36/40/01/372364001.db2.gz FPVMHZFWEOKCIX-ZDUSSCGKSA-N 1 0 289.379 3.059 10 0 CGAERO CC[NH+]1CCC(N[C@@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000163097588 372445434 /nfs/dbraw/zinc/44/54/34/372445434.db2.gz LYDNOFHUGYKSKD-MRXNPFEDSA-N 1 0 288.435 3.363 10 0 CGAERO Cc1cccc([C@H]2CCCN2CCC[NH+]2CCCC2)n1 ZINC000163348741 372463379 /nfs/dbraw/zinc/46/33/79/372463379.db2.gz MWGSDWPESMJCST-QGZVFWFLSA-N 1 0 273.424 3.013 10 0 CGAERO O=C(Nc1cccc2c1C[NH2+]CC2)c1cccc(Cl)c1 ZINC000167377896 372594313 /nfs/dbraw/zinc/59/43/13/372594313.db2.gz PBUNWBJIZWPUFX-UHFFFAOYSA-N 1 0 286.762 3.238 10 0 CGAERO C[NH+]1CCC(O)(c2cccc(Cc3ccccc3)c2)CC1 ZINC000169322408 372629007 /nfs/dbraw/zinc/62/90/07/372629007.db2.gz UUYKEQHXIKKYSU-UHFFFAOYSA-N 1 0 281.399 3.191 10 0 CGAERO c1cc([C@@H]2N(C3CC[NH2+]CC3)CC23CCCCC3)ccn1 ZINC000169676560 372629446 /nfs/dbraw/zinc/62/94/46/372629446.db2.gz MNDYBOCBOWVZGX-KRWDZBQOSA-N 1 0 285.435 3.141 10 0 CGAERO C[C@H]([NH2+]CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)c1cccs1 ZINC000171111086 372713202 /nfs/dbraw/zinc/71/32/02/372713202.db2.gz FIRLEYDREQUHAR-YIYPIFLZSA-N 1 0 294.464 3.340 10 0 CGAERO CCOc1ccccc1C[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000171413486 372755144 /nfs/dbraw/zinc/75/51/44/372755144.db2.gz GECBJDFFZCNJBF-INIZCTEOSA-N 1 0 285.391 3.156 10 0 CGAERO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000171504782 372776937 /nfs/dbraw/zinc/77/69/37/372776937.db2.gz LOZFHGJLPSQALX-KRWDZBQOSA-N 1 0 285.391 3.156 10 0 CGAERO Clc1ccc2c(c1)nccc2N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171939291 372859913 /nfs/dbraw/zinc/85/99/13/372859913.db2.gz HXZWRUFNXTWEMI-CYBMUJFWSA-N 1 0 287.794 3.173 10 0 CGAERO CSc1ccc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000172057529 372892999 /nfs/dbraw/zinc/89/29/99/372892999.db2.gz HKXLADOPLSNDDQ-CQSZACIVSA-N 1 0 287.432 3.132 10 0 CGAERO 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261.409 3.451 10 0 CGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCCC(C)(C)C ZINC000177033309 373651728 /nfs/dbraw/zinc/65/17/28/373651728.db2.gz YAKBXFMFISWJKI-CQSZACIVSA-N 1 0 268.445 3.146 10 0 CGAERO CC(C)n1ccnc1C[S@](=O)Cc1ccc(F)cc1F ZINC000176463573 373600935 /nfs/dbraw/zinc/60/09/35/373600935.db2.gz ASGVHGXLVDCAEZ-HXUWFJFHSA-N 1 0 298.358 3.191 10 0 CGAERO CCCCc1nc(CN2CC[N@@H+]3CCCC[C@@H]3C2)cs1 ZINC000177765653 373706796 /nfs/dbraw/zinc/70/67/96/373706796.db2.gz ZBGUWXHYYNWXGS-OAHLLOKOSA-N 1 0 293.480 3.156 10 0 CGAERO COc1cc(C[NH2+][C@@H]2CCCOc3ccccc32)ccc1O ZINC000178011822 373734574 /nfs/dbraw/zinc/73/45/74/373734574.db2.gz XHLNWTCWDBUJFN-OAHLLOKOSA-N 1 0 299.370 3.404 10 0 CGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cc(C)ccc1C ZINC000178292562 373762365 /nfs/dbraw/zinc/76/23/65/373762365.db2.gz YLKOUKQDTNCGQO-SFHVURJKSA-N 1 0 283.419 3.473 10 0 CGAERO CCc1c(C)[nH+]c2ccccc2c1N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000302073501 373817790 /nfs/dbraw/zinc/81/77/90/373817790.db2.gz 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Cc1cnn(CCNc2cc[nH+]c3ccc(C)cc23)c1 ZINC000185652125 374706126 /nfs/dbraw/zinc/70/61/26/374706126.db2.gz JHKJXMGALPKMCT-UHFFFAOYSA-N 1 0 266.348 3.160 10 0 CGAERO CC[C@H]1CN2CCCC[C@@H]2C[N@@H+]1Cc1cccs1 ZINC000094433615 541986108 /nfs/dbraw/zinc/98/61/08/541986108.db2.gz ZHUSGAHALVAGRY-UONOGXRCSA-N 1 0 264.438 3.197 10 0 CGAERO Cc1cnn([C@H]2CCC[N@H+](Cc3ccc(C)nc3C)C2)c1 ZINC000186990676 374950671 /nfs/dbraw/zinc/95/06/71/374950671.db2.gz AIMCXFPUQWNEEN-KRWDZBQOSA-N 1 0 284.407 3.040 10 0 CGAERO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)c(C)n1 ZINC000187774407 375090553 /nfs/dbraw/zinc/09/05/53/375090553.db2.gz JUIAXLRRCHGVAD-SJORKVTESA-N 1 0 284.407 3.168 10 0 CGAERO Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)COCc1ccccc1 ZINC000188087765 375155065 /nfs/dbraw/zinc/15/50/65/375155065.db2.gz MGXAFUDMDMPATL-DZGCQCFKSA-N 1 0 285.391 3.041 10 0 CGAERO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)CC1 ZINC000096977208 541993514 /nfs/dbraw/zinc/99/35/14/541993514.db2.gz UGCZPYJTPRFKEF-KBPBESRZSA-N 1 0 282.428 3.023 10 0 CGAERO COCCc1ccc(-c2cc(C[NH3+])ccc2C)cc1 ZINC000097919578 541994633 /nfs/dbraw/zinc/99/46/33/541994633.db2.gz WWMGZRPNWYNGEM-UHFFFAOYSA-N 1 0 255.361 3.310 10 0 CGAERO Cc1nc([C@@H]2CCC[N@H+]2CCCOC(C)C)cs1 ZINC000189792616 375448289 /nfs/dbraw/zinc/44/82/89/375448289.db2.gz QMZUYSUFELPDRH-AWEZNQCLSA-N 1 0 268.426 3.404 10 0 CGAERO COc1cccc([C@H]2CN(C)C[C@@H](c3ccccc3)C2=O)c1 ZINC000256008104 190001083 /nfs/dbraw/zinc/00/10/83/190001083.db2.gz VZEODMLXOOKCGA-ZWKOTPCHSA-N 1 0 295.382 3.077 10 0 CGAERO COc1ccc([C@H]2C[C@H](C)[N@H+](Cc3ccnc(N)c3)C2)cc1 ZINC000191503350 375635499 /nfs/dbraw/zinc/63/54/99/375635499.db2.gz BJHXNSHTCVVGLI-BBRMVZONSA-N 1 0 297.402 3.050 10 0 CGAERO C[C@H]1CN(C[C@@H]2CCCC2(F)F)CC[N@@H+](C2CCC2)C1 ZINC000336264612 375765814 /nfs/dbraw/zinc/76/58/14/375765814.db2.gz IDLZGMVHLVWPQM-KBPBESRZSA-N 1 0 286.410 3.228 10 0 CGAERO O=C1Nc2ccccc2[C@@H]1CC[NH2+][C@@H]1CCCc2occc21 ZINC000192971210 375809668 /nfs/dbraw/zinc/80/96/68/375809668.db2.gz SFDTVRNQXZCALF-DZGCQCFKSA-N 1 0 296.370 3.373 10 0 CGAERO O[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1sccc1Cl ZINC000193108916 375826912 /nfs/dbraw/zinc/82/69/12/375826912.db2.gz JPDOXHZHPTZUBD-OCCSQVGLSA-N 1 0 279.792 3.149 10 0 CGAERO CCCCOC[C@@H](O)C[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000193241542 375845716 /nfs/dbraw/zinc/84/57/16/375845716.db2.gz FOVFRWCIMKZURM-YOEHRIQHSA-N 1 0 279.424 3.077 10 0 CGAERO O[C@H](C[C@@H]1CCC[N@@H+]1C[C@@H]1CCC=CO1)c1ccccc1 ZINC000194054785 375954148 /nfs/dbraw/zinc/95/41/48/375954148.db2.gz FWLHGLWFAAKOHD-OKZBNKHCSA-N 1 0 287.403 3.267 10 0 CGAERO Cn1cc([C@@H]2CCCN2Cc2sccc2Cl)cn1 ZINC000194379510 375995797 /nfs/dbraw/zinc/99/57/97/375995797.db2.gz BVDGLHXIUUWGSC-LBPRGKRZSA-N 1 0 281.812 3.472 10 0 CGAERO Cc1nc2n(n1)CCC[C@H]2[NH2+]CC[C@@H](C)c1ccccc1 ZINC000194502719 376012317 /nfs/dbraw/zinc/01/23/17/376012317.db2.gz YOJZPOFVDLAAGJ-CZUORRHYSA-N 1 0 284.407 3.205 10 0 CGAERO Cc1ccccc1OCCC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195507013 376107101 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c1nc(CN2CC[N@@H+]3CCC[C@H]3C2)sc1-c1ccccc1 ZINC000246457847 377034300 /nfs/dbraw/zinc/03/43/00/377034300.db2.gz OZTVIPBDJBADEI-HNNXBMFYSA-N 1 0 299.443 3.090 10 0 CGAERO CCC[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000246946697 377124364 /nfs/dbraw/zinc/12/43/64/377124364.db2.gz ZOAXGWSKPCBSCS-STQMWFEESA-N 1 0 273.298 3.223 10 0 CGAERO CCn1ccnc1C[N@@H+]1C[C@H](c2ccc(OC)cc2)C[C@H]1C ZINC000246949827 377124654 /nfs/dbraw/zinc/12/46/54/377124654.db2.gz FLZJOIKTTCDNAD-GDBMZVCRSA-N 1 0 299.418 3.290 10 0 CGAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)C1 ZINC000246806744 377091515 /nfs/dbraw/zinc/09/15/15/377091515.db2.gz BBNJQFLDSXSICJ-UAGQMJEPSA-N 1 0 292.467 3.003 10 0 CGAERO Cc1cc(F)ccc1C[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000247287487 377190681 /nfs/dbraw/zinc/19/06/81/377190681.db2.gz YYAWSFJISFZNHV-DYVFJYSZSA-N 1 0 287.382 3.414 10 0 CGAERO CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000246992007 377133906 /nfs/dbraw/zinc/13/39/06/377133906.db2.gz 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CCC[C@H]([NH3+])C(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000037805023 397608982 /nfs/dbraw/zinc/60/89/82/397608982.db2.gz DBYNROLUUAYWHB-LBPRGKRZSA-N 1 0 289.206 3.079 10 0 CGAERO CC[C@@H]1C[C@H]([NH2+][C@@H](C)CN(C)Cc2ccccc2)CCO1 ZINC000390763035 397692400 /nfs/dbraw/zinc/69/24/00/397692400.db2.gz CBYCSFHEXWYYMN-CGTJXYLNSA-N 1 0 290.451 3.054 10 0 CGAERO [NH3+]Cc1ccc(OC[C@H]2CCCCC2(F)F)cc1 ZINC000394611809 397695790 /nfs/dbraw/zinc/69/57/90/397695790.db2.gz BLVOZQORLHCKJM-GFCCVEGCSA-N 1 0 255.308 3.350 10 0 CGAERO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCCC[C@H]2CO)c1 ZINC000395236259 397697050 /nfs/dbraw/zinc/69/70/50/397697050.db2.gz TVCOAISPMHWOAL-DZGCQCFKSA-N 1 0 267.800 3.289 10 0 CGAERO CC(C)[NH+](CCOc1cncc(Cl)c1)C(C)C ZINC000675075879 543313354 /nfs/dbraw/zinc/31/33/54/543313354.db2.gz GAPJXQBVUZBYCP-UHFFFAOYSA-N 1 0 256.777 3.233 10 0 CGAERO CC[C@@H](C)[C@H]([NH3+])C(=O)NC1CC(C)(C)CC(C)(C)C1 ZINC000125596895 286805164 /nfs/dbraw/zinc/80/51/64/286805164.db2.gz WYHRXIASYMSSLW-YPMHNXCESA-N 1 0 268.445 3.081 10 0 CGAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)NC1CCCCC1 ZINC000042259642 286893686 /nfs/dbraw/zinc/89/36/86/286893686.db2.gz UQDOCDJOHYEXSN-GJZGRUSLSA-N 1 0 288.435 3.483 10 0 CGAERO CC(C)[C@H]([NH3+])CNc1ncc(C(F)(F)F)cc1Cl ZINC000070447950 165061861 /nfs/dbraw/zinc/06/18/61/165061861.db2.gz YUZVMNVEECCDIY-SECBINFHSA-N 1 0 281.709 3.149 10 0 CGAERO Cc1ccc(C[C@H](C)[NH2+]CC2CCOCC2)s1 ZINC000080227715 165154850 /nfs/dbraw/zinc/15/48/50/165154850.db2.gz XGPZOWAWBFQCFC-NSHDSACASA-N 1 0 253.411 3.004 10 0 CGAERO CCn1cncc1C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000090172279 165227106 /nfs/dbraw/zinc/22/71/06/165227106.db2.gz ASUVUTAWJBMDEI-AWEZNQCLSA-N 1 0 257.381 3.371 10 0 CGAERO Cc1ncc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2n2cccn2)s1 ZINC000090418579 165232729 /nfs/dbraw/zinc/23/27/29/165232729.db2.gz MPMHYNRASBEADJ-UBHSHLNASA-N 1 0 290.436 3.483 10 0 CGAERO CCc1c2ccccc2oc1[C@@H](C)[NH2+]CC1CC(O)C1 ZINC000091423375 287107899 /nfs/dbraw/zinc/10/78/99/287107899.db2.gz UQYQZYPAHLRGLV-PNESKVBLSA-N 1 0 273.376 3.417 10 0 CGAERO Cc1ccc(N2CCC([NH2+][C@@H](C)c3cccnc3)CC2)nc1 ZINC000092752358 165313950 /nfs/dbraw/zinc/31/39/50/165313950.db2.gz SCOMQYHHGYYMRW-HNNXBMFYSA-N 1 0 296.418 3.105 10 0 CGAERO C[NH2+]Cc1ccccc1NC(=O)c1cscc1C ZINC000094248262 165345840 /nfs/dbraw/zinc/34/58/40/165345840.db2.gz ZEMAYPJPNJUPKF-UHFFFAOYSA-N 1 0 260.362 3.028 10 0 CGAERO Cc1ccccc1[C@H]([NH2+]CC1CC(O)C1)c1ccccc1 ZINC000093248985 287115179 /nfs/dbraw/zinc/11/51/79/287115179.db2.gz GQEIMLYNGSVSRP-GXOAENINSA-N 1 0 281.399 3.445 10 0 CGAERO Cc1nccc(C[NH2+]CC2(CC(C)C)CCCC2)n1 ZINC000094874442 165395563 /nfs/dbraw/zinc/39/55/63/165395563.db2.gz HXEYRUBVKFVJRC-UHFFFAOYSA-N 1 0 261.413 3.481 10 0 CGAERO C[C@@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1ccoc1 ZINC000180393705 165655688 /nfs/dbraw/zinc/65/56/88/165655688.db2.gz NXTYEUXWCOBICG-RISCZKNCSA-N 1 0 270.332 3.056 10 0 CGAERO CC(C)CC[C@@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)C(C)(C)C ZINC000115849516 287155519 /nfs/dbraw/zinc/15/55/19/287155519.db2.gz DMQIEXUNYJMZNX-LSDHHAIUSA-N 1 0 297.487 3.183 10 0 CGAERO CC[C@@H](Cc1ccccc1)[NH2+][C@@H](CO)c1ccccc1 ZINC000116387796 287157281 /nfs/dbraw/zinc/15/72/81/287157281.db2.gz UJIJOKSOCNTUJJ-ROUUACIJSA-N 1 0 269.388 3.331 10 0 CGAERO Cc1cnn(CC[NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)c1 ZINC000123481873 287220777 /nfs/dbraw/zinc/22/07/77/287220777.db2.gz XDGUCMCJQRQZHF-IRXDYDNUSA-N 1 0 283.419 3.363 10 0 CGAERO C[NH2+]CCCCOc1ccc(O)cc1Cc1ccccc1 ZINC000005996315 170166119 /nfs/dbraw/zinc/16/61/19/170166119.db2.gz AOIDILJCBLATGZ-UHFFFAOYSA-N 1 0 285.387 3.361 10 0 CGAERO CC[NH2+]Cc1nccn1Cc1ccc(Cl)cc1Cl ZINC000006687711 170226324 /nfs/dbraw/zinc/22/63/24/170226324.db2.gz LAXZPOBTIXMJAE-UHFFFAOYSA-N 1 0 284.190 3.348 10 0 CGAERO CC[NH2+]Cc1nccn1Cc1ccc(Cl)c(Cl)c1 ZINC000006687913 170226608 /nfs/dbraw/zinc/22/66/08/170226608.db2.gz UXTGNUHZFNIHBR-UHFFFAOYSA-N 1 0 284.190 3.348 10 0 CGAERO CCOc1ccccc1C[C@H]([NH3+])Cc1cccs1 ZINC000011599916 170425467 /nfs/dbraw/zinc/42/54/67/170425467.db2.gz YWDGRGCVFWWPHZ-ZDUSSCGKSA-N 1 0 261.390 3.259 10 0 CGAERO COc1cccc(C[C@H]([NH3+])Cc2ccccc2Cl)c1 ZINC000011601015 170425492 /nfs/dbraw/zinc/42/54/92/170425492.db2.gz XMPADOPZASRRAS-AWEZNQCLSA-N 1 0 275.779 3.461 10 0 CGAERO CC[N@H+](C[C@@H](N)c1ccccc1OC)C1CCCCC1 ZINC000019257940 170760131 /nfs/dbraw/zinc/76/01/31/170760131.db2.gz FDQAHBKAQWSAOU-MRXNPFEDSA-N 1 0 276.424 3.350 10 0 CGAERO [NH3+]Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000019432656 170797916 /nfs/dbraw/zinc/79/79/16/170797916.db2.gz USNKUROZDNFMFO-UHFFFAOYSA-N 1 0 266.300 3.144 10 0 CGAERO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccncc2)C12CCCC2 ZINC000125638756 287248252 /nfs/dbraw/zinc/24/82/52/287248252.db2.gz SKWCDACPGVJLTP-HOTGVXAUSA-N 1 0 274.408 3.251 10 0 CGAERO COc1ccc(OC)c([C@@H]([NH3+])c2ccc(F)c(F)c2)c1 ZINC000019967626 170949372 /nfs/dbraw/zinc/94/93/72/170949372.db2.gz BQXHXHAZZKRABF-HNNXBMFYSA-N 1 0 279.286 3.030 10 0 CGAERO COc1ccc([C@@H]([NH3+])c2cc(F)ccc2F)c(OC)c1 ZINC000019969497 170952248 /nfs/dbraw/zinc/95/22/48/170952248.db2.gz BPXSYOTXUQKJFS-OAHLLOKOSA-N 1 0 279.286 3.030 10 0 CGAERO CC[NH+](CC)CCNc1ccc(OC)c(Cl)c1 ZINC000020041169 170975507 /nfs/dbraw/zinc/97/55/07/170975507.db2.gz FRPWXFQEIHTZPA-UHFFFAOYSA-N 1 0 256.777 3.102 10 0 CGAERO c1coc([C@H](C[NH2+]CCc2ccccc2)N2CCCC2)c1 ZINC000020123061 171003908 /nfs/dbraw/zinc/00/39/08/171003908.db2.gz YSEDFWOBYGJQNB-KRWDZBQOSA-N 1 0 284.403 3.249 10 0 CGAERO CC[C@H]([NH2+]C[C@@H](C(C)C)N(C)C)c1cccs1 ZINC000020145958 171031636 /nfs/dbraw/zinc/03/16/36/171031636.db2.gz SBVWCVUHNYLOIR-STQMWFEESA-N 1 0 254.443 3.375 10 0 CGAERO CCCC(CCC)[NH2+]CCCOC[C@@H]1CCCO1 ZINC000020146832 171033092 /nfs/dbraw/zinc/03/30/92/171033092.db2.gz VZEWQNVWOYIOPW-HNNXBMFYSA-N 1 0 257.418 3.131 10 0 CGAERO C[C@@H]([NH2+][C@@H]1COc2cc(O)ccc21)c1cccs1 ZINC000020148464 171037145 /nfs/dbraw/zinc/03/71/45/171037145.db2.gz XCVFRULJZHZTLS-BXKDBHETSA-N 1 0 261.346 3.238 10 0 CGAERO Cc1ccc(C(=O)N(CC[NH3+])C2CCCCC2)cc1C ZINC000020183545 171046477 /nfs/dbraw/zinc/04/64/77/171046477.db2.gz XPPIKMPKPHUZIR-UHFFFAOYSA-N 1 0 274.408 3.037 10 0 CGAERO C=COCCC[NH2+]Cc1ccc(Br)s1 ZINC000020197571 171061947 /nfs/dbraw/zinc/06/19/47/171061947.db2.gz RABVSPHNQQWAMN-UHFFFAOYSA-N 1 0 276.199 3.150 10 0 CGAERO CN(Cc1ccccc1F)[C@@H](C[NH3+])c1cccs1 ZINC000020225314 171087379 /nfs/dbraw/zinc/08/73/79/171087379.db2.gz RTVKLQXVJKGISA-ZDUSSCGKSA-N 1 0 264.369 3.019 10 0 CGAERO CN(Cc1ccc(F)cc1)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000020225658 171088660 /nfs/dbraw/zinc/08/86/60/171088660.db2.gz BXLTTYCRFSOALQ-INIZCTEOSA-N 1 0 276.330 3.097 10 0 CGAERO C[N@H+](CC1CCCCC1)[C@H](CN)c1ccc(F)cc1 ZINC000020225685 171088758 /nfs/dbraw/zinc/08/87/58/171088758.db2.gz PGVOVQCOYPHGQB-MRXNPFEDSA-N 1 0 264.388 3.338 10 0 CGAERO COc1cccc(CN(C)[C@H](C[NH3+])c2ccccc2C)c1 ZINC000020225451 171089047 /nfs/dbraw/zinc/08/90/47/171089047.db2.gz JUJIWAPOZPJCKN-GOSISDBHSA-N 1 0 284.403 3.135 10 0 CGAERO CN(CC1CC1)[C@@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000020226700 171091651 /nfs/dbraw/zinc/09/16/51/171091651.db2.gz AOSCAKNHGUDOSB-ZDUSSCGKSA-N 1 0 273.207 3.335 10 0 CGAERO Cc1ccccc1O[C@@H]1CCc2ccccc2[C@H]1[NH3+] ZINC000020262588 171120217 /nfs/dbraw/zinc/12/02/17/171120217.db2.gz CBHALJXQCULYSK-IAGOWNOFSA-N 1 0 253.345 3.389 10 0 CGAERO CN(Cc1cccc(F)c1)[C@@H](C[NH3+])c1ccsc1 ZINC000020266441 171122951 /nfs/dbraw/zinc/12/29/51/171122951.db2.gz SKPUDVLFPSLWGQ-AWEZNQCLSA-N 1 0 264.369 3.019 10 0 CGAERO [NH3+][C@H](Cc1ccccn1)c1ccc(F)cc1Br ZINC000020429009 171194268 /nfs/dbraw/zinc/19/42/68/171194268.db2.gz WOSPLRLZAFBWBQ-CYBMUJFWSA-N 1 0 295.155 3.226 10 0 CGAERO Clc1ccc(N[C@@H]2C[NH+]3CCC2CC3)cc1Cl ZINC000020440760 171204284 /nfs/dbraw/zinc/20/42/84/171204284.db2.gz MPFJGQPGCXHOSX-CYBMUJFWSA-N 1 0 271.191 3.500 10 0 CGAERO CCCC[NH+](CCCC)[C@H](CN)c1ccc(C)o1 ZINC000020484752 171224108 /nfs/dbraw/zinc/22/41/08/171224108.db2.gz SNWIAMHJWUKRBM-CQSZACIVSA-N 1 0 252.402 3.490 10 0 CGAERO CCC(C)(C)O[C@H]1CCc2cc(OC)ccc2[C@@H]1[NH3+] ZINC000020511735 171231026 /nfs/dbraw/zinc/23/10/26/171231026.db2.gz ARIMEQJATWZSBK-GJZGRUSLSA-N 1 0 263.381 3.215 10 0 CGAERO Cc1ccc([C@H]([NH3+])CN2CCc3ccccc32)c(C)c1 ZINC000020549218 171246144 /nfs/dbraw/zinc/24/61/44/171246144.db2.gz CJJWZTONYSCBMY-QGZVFWFLSA-N 1 0 266.388 3.366 10 0 CGAERO CCn1cc(C[NH2+]C[C@@H](O)c2ccccc2)c2ccccc21 ZINC000020935172 171281677 /nfs/dbraw/zinc/28/16/77/171281677.db2.gz FMBAITPJJZSQRV-LJQANCHMSA-N 1 0 294.398 3.484 10 0 CGAERO CCCOc1cccc(CNCCC[NH+](CC)CC)c1 ZINC000020967365 171282024 /nfs/dbraw/zinc/28/20/24/171282024.db2.gz XDOCZBFNIDYZSS-UHFFFAOYSA-N 1 0 278.440 3.297 10 0 CGAERO CCCOc1ccccc1C[NH2+]C[C@H]1CCCN1CC ZINC000020967323 171282167 /nfs/dbraw/zinc/28/21/67/171282167.db2.gz WQUKLKGMFWOGGW-MRXNPFEDSA-N 1 0 276.424 3.049 10 0 CGAERO C[C@@H]1CCCC[C@H]1[NH2+]CC1(N(C)C)CCCCC1 ZINC000021015002 171289175 /nfs/dbraw/zinc/28/91/75/171289175.db2.gz GNPZYHIXUFTPMO-HUUCEWRRSA-N 1 0 252.446 3.419 10 0 CGAERO Cc1ccc(N)cc1NC(=O)CCC[N@H+]1CCCC[C@@H]1C ZINC000022153819 171360880 /nfs/dbraw/zinc/36/08/80/171360880.db2.gz MLOAHBKZVFRCGL-AWEZNQCLSA-N 1 0 289.423 3.170 10 0 CGAERO Cc1cc(N)ccc1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000022210279 171372911 /nfs/dbraw/zinc/37/29/11/171372911.db2.gz AJYOLDWRRUAXTR-UHFFFAOYSA-N 1 0 289.423 3.170 10 0 CGAERO C[C@H]([NH3+])c1cccc(NC(=O)c2ccc(F)cc2F)c1 ZINC000022221584 171378226 /nfs/dbraw/zinc/37/82/26/171378226.db2.gz RXLNVNLMSWNJGO-VIFPVBQESA-N 1 0 276.286 3.237 10 0 CGAERO CCC[NH+](CCC)[C@@H](C)[C@H](N)c1ccc(OC)cc1 ZINC000022564320 171391570 /nfs/dbraw/zinc/39/15/70/171391570.db2.gz KSSWDBXMGVJCNF-BBRMVZONSA-N 1 0 264.413 3.206 10 0 CGAERO CCc1cc(-c2cccc(N)n2)c(OC)cc1CC[NH+](C)C ZINC000028382613 171557880 /nfs/dbraw/zinc/55/78/80/171557880.db2.gz RVILXWOEUIULFQ-UHFFFAOYSA-N 1 0 299.418 3.006 10 0 CGAERO COc1ccc(Oc2ccc(C[C@@H](C)[NH3+])cc2)cc1 ZINC000032110337 171702422 /nfs/dbraw/zinc/70/24/22/171702422.db2.gz QNAZFAQLPKSYDZ-GFCCVEGCSA-N 1 0 257.333 3.377 10 0 CGAERO COc1cccc(O[C@@H](C[NH3+])c2ccc(C)cc2)c1 ZINC000032110271 171702735 /nfs/dbraw/zinc/70/27/35/171702735.db2.gz QXLJWLRASHGAQP-INIZCTEOSA-N 1 0 257.333 3.082 10 0 CGAERO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC000035221879 172064246 /nfs/dbraw/zinc/06/42/46/172064246.db2.gz MPHKZTRDZZZNQP-DYVFJYSZSA-N 1 0 288.435 3.347 10 0 CGAERO [NH3+][C@H](C(=O)Nc1cc(Cl)ccc1F)c1ccccc1 ZINC000035284631 172102488 /nfs/dbraw/zinc/10/24/88/172102488.db2.gz ZYZZEZMLYXJAJF-ZDUSSCGKSA-N 1 0 278.714 3.118 10 0 CGAERO CCOc1ccc([C@@H]([NH3+])c2ccoc2)cc1OCC ZINC000035379829 172162524 /nfs/dbraw/zinc/16/25/24/172162524.db2.gz UTCOQPBMACTFHE-OAHLLOKOSA-N 1 0 261.321 3.125 10 0 CGAERO COc1ccc([C@H]([NH3+])c2ccoc2)cc1Br ZINC000035381643 172164702 /nfs/dbraw/zinc/16/47/02/172164702.db2.gz HSZCWMNOIQSBML-LBPRGKRZSA-N 1 0 282.137 3.099 10 0 CGAERO C[NH2+][C@@H](c1sccc1C)c1ccc(OC)c(OC)c1 ZINC000035463084 172210583 /nfs/dbraw/zinc/21/05/83/172210583.db2.gz HLDSKLDFNMXKPF-CQSZACIVSA-N 1 0 277.389 3.383 10 0 CGAERO C[NH2+][C@@H](CC(C)(C)C)c1ccc(OC)c(OC)c1 ZINC000035463355 172211601 /nfs/dbraw/zinc/21/16/01/172211601.db2.gz NKVJUFJAQPUPCC-LBPRGKRZSA-N 1 0 251.370 3.401 10 0 CGAERO C[NH2+][C@H](c1ccsc1)c1ccc(OC)cc1OC ZINC000035488704 172223778 /nfs/dbraw/zinc/22/37/78/172223778.db2.gz CLBIUCVZYMKMLA-CQSZACIVSA-N 1 0 263.362 3.074 10 0 CGAERO C[NH2+][C@@H](c1sccc1C)c1ccc(OC)cc1OC ZINC000035488714 172224060 /nfs/dbraw/zinc/22/40/60/172224060.db2.gz QEEAHZUXPMACSQ-CQSZACIVSA-N 1 0 277.389 3.383 10 0 CGAERO C[NH2+][C@@H](c1cccc(OC)c1)c1ccc(F)cc1F ZINC000035491941 172226832 /nfs/dbraw/zinc/22/68/32/172226832.db2.gz IAAIREMKTXNRRB-HNNXBMFYSA-N 1 0 263.287 3.282 10 0 CGAERO C[NH2+][C@H](c1cc(OC)c(OC)cc1Cl)[C@@H]1C[C@H]1C ZINC000035501294 172235780 /nfs/dbraw/zinc/23/57/80/172235780.db2.gz RTDJGLMOADYTRG-NUPCCRGMSA-N 1 0 269.772 3.274 10 0 CGAERO C[NH2+][C@H](c1cc2c(cc1Cl)OCCO2)[C@@H]1C[C@H]1C ZINC000035501418 172235970 /nfs/dbraw/zinc/23/59/70/172235970.db2.gz AXPLGUDTYAHKPV-NUPCCRGMSA-N 1 0 267.756 3.028 10 0 CGAERO C[NH2+][C@@H](c1cc(OC)c(OC)cc1Cl)C1CCC1 ZINC000035501288 172236011 /nfs/dbraw/zinc/23/60/11/172236011.db2.gz BDLSALCULUZYDY-CQSZACIVSA-N 1 0 269.772 3.418 10 0 CGAERO C[NH2+][C@@H](CC(C)C)c1cc2c(cc1Cl)OCCO2 ZINC000035501388 172236033 /nfs/dbraw/zinc/23/60/33/172236033.db2.gz LGBYGVGBXMXNAK-LBPRGKRZSA-N 1 0 269.772 3.418 10 0 CGAERO C[NH2+][C@H](Cc1ncc[nH]1)c1ccc(Cl)cc1Cl ZINC000035503598 172237402 /nfs/dbraw/zinc/23/74/02/172237402.db2.gz UASHFCRNNYFMIJ-LLVKDONJSA-N 1 0 270.163 3.220 10 0 CGAERO CC[NH2+][C@@H](CC(C)C)c1ccc(OC)c(OC)c1 ZINC000035539570 172245347 /nfs/dbraw/zinc/24/53/47/172245347.db2.gz MGTRWFVRUSNCEL-ZDUSSCGKSA-N 1 0 251.370 3.401 10 0 CGAERO CCC[NH2+][C@@H](c1cc(F)ccc1OC)[C@H]1CCCO1 ZINC000035583928 172282777 /nfs/dbraw/zinc/28/27/77/172282777.db2.gz FNXAANHIBKFKIJ-CABCVRRESA-N 1 0 267.344 3.054 10 0 CGAERO CCC[NH2+][C@H](c1cnn(C)c1)c1cccc(Cl)c1 ZINC000035584304 172283300 /nfs/dbraw/zinc/28/33/00/172283300.db2.gz BYGDAZHGPQWYKL-AWEZNQCLSA-N 1 0 263.772 3.163 10 0 CGAERO CCC[NH2+][C@@H](c1ccc2[nH]c(=O)oc2c1)C(C)(C)C ZINC000035584503 172284300 /nfs/dbraw/zinc/28/43/00/172284300.db2.gz SENYVZRHWHKMLL-ZDUSSCGKSA-N 1 0 262.353 3.208 10 0 CGAERO C[NH2+][C@@H](C)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000035635300 172319804 /nfs/dbraw/zinc/31/98/04/172319804.db2.gz OPYFANAPSCWSOF-LBPRGKRZSA-N 1 0 260.381 3.486 10 0 CGAERO CCC[NH2+][C@H]1CCOc2c(Br)cc(F)cc21 ZINC000035655170 172331718 /nfs/dbraw/zinc/33/17/18/172331718.db2.gz YPGIUZNWCAHWPN-NSHDSACASA-N 1 0 288.160 3.411 10 0 CGAERO COCc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)ccc1OC ZINC000035660723 172338148 /nfs/dbraw/zinc/33/81/48/172338148.db2.gz QQRZNHYHJKJWCG-ZENOOKHLSA-N 1 0 293.407 3.060 10 0 CGAERO CCCC(C[NH3+])(CCC)N(C)Cc1ccc(C)o1 ZINC000035699570 172368430 /nfs/dbraw/zinc/36/84/30/172368430.db2.gz AOECKAGABLZHQR-UHFFFAOYSA-N 1 0 252.402 3.318 10 0 CGAERO COCCS[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000035721948 172377770 /nfs/dbraw/zinc/37/77/70/172377770.db2.gz GUTVHPOFZWNYII-JHJVBQTASA-N 1 0 259.459 3.156 10 0 CGAERO CC(C)(C)[C@@H]1CC[C@@H](C[NH3+])[C@H](Sc2nncs2)C1 ZINC000035724587 172379459 /nfs/dbraw/zinc/37/94/59/172379459.db2.gz WLVRZBCGAKJBMD-HBNTYKKESA-N 1 0 285.482 3.420 10 0 CGAERO CCC[NH2+][C@H]1c2cc(OC)ccc2SC[C@@H]1C ZINC000035760734 172399529 /nfs/dbraw/zinc/39/95/29/172399529.db2.gz CNEDYTCLNAABOF-IINYFYTJSA-N 1 0 251.395 3.478 10 0 CGAERO CC(C)=CC[NH+]1CCC(N[C@H](C)c2ccco2)CC1 ZINC000037260428 173070628 /nfs/dbraw/zinc/07/06/28/173070628.db2.gz MHDFIZVQPJFKJT-CQSZACIVSA-N 1 0 262.397 3.361 10 0 CGAERO COC(=O)CC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000037300740 173106368 /nfs/dbraw/zinc/10/63/68/173106368.db2.gz PSWYQSGYPHSHKU-LBPRGKRZSA-N 1 0 257.333 3.054 10 0 CGAERO O[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000037378041 173166406 /nfs/dbraw/zinc/16/64/06/173166406.db2.gz PLITWGRAFLODBE-BXKDBHETSA-N 1 0 260.164 3.026 10 0 CGAERO C[C@@H]([NH3+])CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000037607194 173555183 /nfs/dbraw/zinc/55/51/83/173555183.db2.gz RYHJMUPMHINRFQ-ZCFIWIBFSA-N 1 0 280.677 3.035 10 0 CGAERO Cc1cc([C@H](C)NC(=O)CCC[NH2+]C(C)C)c(C)s1 ZINC000037633788 173582132 /nfs/dbraw/zinc/58/21/32/173582132.db2.gz FOOHYTDPANVFCT-LBPRGKRZSA-N 1 0 282.453 3.320 10 0 CGAERO C[C@H](Cc1c(F)cccc1F)[NH2+]C1CCSCC1 ZINC000037776090 173707929 /nfs/dbraw/zinc/70/79/29/173707929.db2.gz GMSNEQZTFIUWMU-SNVBAGLBSA-N 1 0 271.376 3.381 10 0 CGAERO COc1cc(F)c([C@@H]([NH3+])c2cccc(C)c2)c(F)c1 ZINC000037903338 173835188 /nfs/dbraw/zinc/83/51/88/173835188.db2.gz LEMBPKDRCOKTOI-HNNXBMFYSA-N 1 0 263.287 3.330 10 0 CGAERO C[C@H](C[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1)N1CCCCC1 ZINC000038028357 174016770 /nfs/dbraw/zinc/01/67/70/174016770.db2.gz LSYKQFVCZWTFDO-SQWLQELKSA-N 1 0 276.424 3.367 10 0 CGAERO COc1ccccc1[C@H](C)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032668 174029042 /nfs/dbraw/zinc/02/90/42/174029042.db2.gz HNHPRKWAMUKISN-ZDUSSCGKSA-N 1 0 282.387 3.397 10 0 CGAERO Nc1cccc2c1CC[N@H+](C/C=C/c1ccccc1)C2 ZINC000038032832 174030038 /nfs/dbraw/zinc/03/00/38/174030038.db2.gz MXYJJRLNUFVJHP-VMPITWQZSA-N 1 0 264.372 3.340 10 0 CGAERO Cc1nccc(C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)n1 ZINC000038037791 174038762 /nfs/dbraw/zinc/03/87/62/174038762.db2.gz FWOXHHMSZULQAI-MRXNPFEDSA-N 1 0 271.339 3.165 10 0 CGAERO CC(C)[C@H]([NH2+]C[C@@H]1CCCOC1)c1cccs1 ZINC000038044920 174052739 /nfs/dbraw/zinc/05/27/39/174052739.db2.gz COJKCIFNILBRSO-JSGCOSHPSA-N 1 0 253.411 3.461 10 0 CGAERO Cc1ccc(C(C)C)cc1O[C@H](C[NH3+])C(F)(F)F ZINC000038052941 174064718 /nfs/dbraw/zinc/06/47/18/174064718.db2.gz VMNKEHAIFNBWIA-GFCCVEGCSA-N 1 0 261.287 3.387 10 0 CGAERO C[NH2+][C@@H](C)c1c(F)cccc1-n1cc(Br)cn1 ZINC000038054444 174065911 /nfs/dbraw/zinc/06/59/11/174065911.db2.gz PMBKILLAGYVBTO-QMMMGPOBSA-N 1 0 298.159 3.054 10 0 CGAERO C[NH2+][C@H](C)c1c(F)cccc1-n1cc(Br)cn1 ZINC000038054445 174065951 /nfs/dbraw/zinc/06/59/51/174065951.db2.gz PMBKILLAGYVBTO-MRVPVSSYSA-N 1 0 298.159 3.054 10 0 CGAERO [NH3+][C@@H](c1ccc(F)cc1)c1ccc2c(c1)CCCO2 ZINC000038057784 174068335 /nfs/dbraw/zinc/06/83/35/174068335.db2.gz OYEMLOWBADWIIC-INIZCTEOSA-N 1 0 257.308 3.199 10 0 CGAERO COc1cc(C[NH3+])c(-c2ccccc2Cl)cc1OC ZINC000038078193 174088088 /nfs/dbraw/zinc/08/80/88/174088088.db2.gz CCVKSZWIRYDNSS-UHFFFAOYSA-N 1 0 277.751 3.483 10 0 CGAERO C[C@H](NC(=O)CC[NH2+]C(C)(C)C)c1cccc(Cl)c1 ZINC000038092853 174106951 /nfs/dbraw/zinc/10/69/51/174106951.db2.gz UVTZTKKZEQHIOZ-NSHDSACASA-N 1 0 282.815 3.295 10 0 CGAERO CCOc1ccccc1[C@@H](C)[NH2+]CC[C@@H]1CCCO1 ZINC000038095652 174109523 /nfs/dbraw/zinc/10/95/23/174109523.db2.gz GZAHFJMZVWYJJK-KGLIPLIRSA-N 1 0 263.381 3.305 10 0 CGAERO Cc1cccc(C2CC([NH2+]CC[C@H]3CCCO3)C2)c1 ZINC000038096136 174110282 /nfs/dbraw/zinc/11/02/82/174110282.db2.gz TYJPOGRBZLJIHY-OFLPRAFFSA-N 1 0 259.393 3.400 10 0 CGAERO O[C@@H](C[NH+]1CCCCC1)c1ccc2ccccc2c1 ZINC000038999894 174161373 /nfs/dbraw/zinc/16/13/73/174161373.db2.gz NBHSAWIIABZCSJ-KRWDZBQOSA-N 1 0 255.361 3.359 10 0 CGAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@H](C)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000040177374 174202338 /nfs/dbraw/zinc/20/23/38/174202338.db2.gz BHWCAZBYLNJIEA-ZSAUSMIDSA-N 1 0 280.456 3.094 10 0 CGAERO Cc1ccc(Oc2ncnc(Nc3cc[nH+]cc3)c2N)cc1 ZINC000040687646 174375869 /nfs/dbraw/zinc/37/58/69/174375869.db2.gz KRPIZLACFDYSDZ-UHFFFAOYSA-N 1 0 293.330 3.298 10 0 CGAERO CC(C)c1ccc(OCc2csc(C[NH3+])n2)cc1 ZINC000041354491 174532954 /nfs/dbraw/zinc/53/29/54/174532954.db2.gz CAYLROXOQRVPQW-UHFFFAOYSA-N 1 0 262.378 3.304 10 0 CGAERO COc1ccc(Cl)cc1C[C@H]1CCCC[C@@H]1[NH3+] ZINC000042401601 174710519 /nfs/dbraw/zinc/71/05/19/174710519.db2.gz YHKQNGHLCYQKHK-MFKMUULPSA-N 1 0 253.773 3.409 10 0 CGAERO C[C@H]([NH3+])[C@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC000042904176 174907247 /nfs/dbraw/zinc/90/72/47/174907247.db2.gz NLWNKIRDGRXQLC-BONVTDFDSA-N 1 0 263.287 3.432 10 0 CGAERO CC[C@@H]([NH3+])[C@@H](SCCC(=O)OC)c1ccc(C)cc1 ZINC000042943779 174919280 /nfs/dbraw/zinc/91/92/80/174919280.db2.gz FGZGUDISEVYXSM-HIFRSBDPSA-N 1 0 281.421 3.070 10 0 CGAERO CC[C@@H]([NH3+])[C@@H](c1cccc(F)c1)N(C)CC(F)(F)F ZINC000042972114 174934974 /nfs/dbraw/zinc/93/49/74/174934974.db2.gz FYNVBVUTCGCNDH-VXGBXAGGSA-N 1 0 278.293 3.098 10 0 CGAERO CC[C@@H]([NH3+])[C@H](OCC(F)(F)F)c1ccccc1F ZINC000043046553 174957048 /nfs/dbraw/zinc/95/70/48/174957048.db2.gz PJVXDFNMFNNNLU-GHMZBOCLSA-N 1 0 265.250 3.183 10 0 CGAERO CC[C@@H]([NH3+])[C@@H](SCCOC)c1ccccc1Cl ZINC000043089787 174963733 /nfs/dbraw/zinc/96/37/33/174963733.db2.gz RVMPINGKMKVPID-OLZOCXBDSA-N 1 0 273.829 3.498 10 0 CGAERO CC[C@@H]([NH3+])[C@H](OC1CCCC1)c1ccccc1OC ZINC000043098923 174967155 /nfs/dbraw/zinc/96/71/55/174967155.db2.gz KTKHGLFLTPMHHA-GDBMZVCRSA-N 1 0 263.381 3.433 10 0 CGAERO COc1ccccc1C[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000043647597 175085071 /nfs/dbraw/zinc/08/50/71/175085071.db2.gz SMPHAAUXVZKRKL-YOEHRIQHSA-N 1 0 253.345 3.110 10 0 CGAERO COc1ccccc1C[C@@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000043647595 175085090 /nfs/dbraw/zinc/08/50/90/175085090.db2.gz SMPHAAUXVZKRKL-WMLDXEAASA-N 1 0 253.345 3.110 10 0 CGAERO CCCc1ccc([C@@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000044114951 175141807 /nfs/dbraw/zinc/14/18/07/175141807.db2.gz PKNQIPPNHITGNW-KRWDZBQOSA-N 1 0 261.409 3.404 10 0 CGAERO Cc1ccc([C@H]2C[C@H]([NH3+])CN(C(=O)OC(C)(C)C)C2)cc1 ZINC000044136148 175145929 /nfs/dbraw/zinc/14/59/29/175145929.db2.gz UCLYVEOFKUIMIG-GJZGRUSLSA-N 1 0 290.407 3.047 10 0 CGAERO COc1ccccc1C[NH2+][C@@H]1C[C@H]1c1ccccc1 ZINC000044423843 175174442 /nfs/dbraw/zinc/17/44/42/175174442.db2.gz JYSZLOJJRAJVHI-JKSUJKDBSA-N 1 0 253.345 3.341 10 0 CGAERO C[NH+]1CCC(Cn2c3ccccc3[nH]c2=S)CC1 ZINC000044526450 175191358 /nfs/dbraw/zinc/19/13/58/175191358.db2.gz OUTAUGHMMBRLFC-UHFFFAOYSA-N 1 0 261.394 3.041 10 0 CGAERO CCn1nc(C[NH2+]CCC(C)C)c(-c2ccccc2)n1 ZINC000045944860 175387336 /nfs/dbraw/zinc/38/73/36/175387336.db2.gz CTXAGGQBEDHSFO-UHFFFAOYSA-N 1 0 272.396 3.101 10 0 CGAERO O[C@@H](C[NH2+][C@H]1CCCC[C@@H]1c1ccccc1)C1CC1 ZINC000071302021 176114573 /nfs/dbraw/zinc/11/45/73/176114573.db2.gz MNYYXAQPXCWBCC-IKGGRYGDSA-N 1 0 259.393 3.073 10 0 CGAERO CCCN([C@@H](C)c1ccccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000071314768 176120849 /nfs/dbraw/zinc/12/08/49/176120849.db2.gz LJLDIMVQWIKNDA-QWHCGFSZSA-N 1 0 266.816 3.475 10 0 CGAERO [NH3+]CCc1ccc(N2CCc3ccccc32)c(F)c1 ZINC000071577617 176206469 /nfs/dbraw/zinc/20/64/69/176206469.db2.gz AXNKRBLVYJQJHF-UHFFFAOYSA-N 1 0 256.324 3.021 10 0 CGAERO CCCCc1ccc([C@@H](C)CN2CC[NH2+]CC2)cc1 ZINC000071587068 176214094 /nfs/dbraw/zinc/21/40/94/176214094.db2.gz LTFOWBLFMKCATD-HNNXBMFYSA-N 1 0 260.425 3.038 10 0 CGAERO CC(C)[C@H](CCCC[NH3+])c1ccc2c(c1)OCCO2 ZINC000071595556 176218669 /nfs/dbraw/zinc/21/86/69/176218669.db2.gz UUMFDAOIOPBSEM-AWEZNQCLSA-N 1 0 263.381 3.326 10 0 CGAERO CC(C)[NH2+][C@@H](C)[C@H](O)c1ccc(OC(C)(C)C)cc1 ZINC000071598013 176221581 /nfs/dbraw/zinc/22/15/81/176221581.db2.gz BTVVVVBZHGBALS-WFASDCNBSA-N 1 0 265.397 3.284 10 0 CGAERO C[NH2+][C@@H](C(=O)c1ccc(OC(C)C)c(F)c1)C(C)C ZINC000071599131 176223499 /nfs/dbraw/zinc/22/34/99/176223499.db2.gz GPZWZOXLZHLPOX-CQSZACIVSA-N 1 0 267.344 3.040 10 0 CGAERO CCOc1cc(C)c(C(=O)[C@@H](CC)[NH2+]C)cc1Cl ZINC000071600974 176227569 /nfs/dbraw/zinc/22/75/69/176227569.db2.gz OUKYMQHPHDPILD-GFCCVEGCSA-N 1 0 269.772 3.228 10 0 CGAERO CC[NH2+][C@H](C)[C@@H](O)c1ccc(OC(C)C)c(Cl)c1 ZINC000071611290 176231896 /nfs/dbraw/zinc/23/18/96/176231896.db2.gz MPUAQDGQBZJVCY-QMTHXVAHSA-N 1 0 271.788 3.159 10 0 CGAERO CCOc1ccc([C@H](O)[C@H](C)[NH2+]C(C)C)cc1Cl ZINC000071611271 176231918 /nfs/dbraw/zinc/23/19/18/176231918.db2.gz JUWYBYZIHYZCIM-IINYFYTJSA-N 1 0 271.788 3.159 10 0 CGAERO Brc1ccc(SC[C@@H]2CCC[NH2+]2)s1 ZINC000071629043 176236275 /nfs/dbraw/zinc/23/62/75/176236275.db2.gz PWARYPYRQKKSQD-ZETCQYMHSA-N 1 0 278.240 3.355 10 0 CGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)Nc1ccc(F)cc1F ZINC000071936974 176302567 /nfs/dbraw/zinc/30/25/67/176302567.db2.gz WZNHHBCVKGWEHO-GFCCVEGCSA-N 1 0 299.365 3.063 10 0 CGAERO CC(C)c1ccc([C@H]2Cc3n[nH]cc3[C@H]([NH3+])C2)cc1 ZINC000072415345 176399558 /nfs/dbraw/zinc/39/95/58/176399558.db2.gz OIQWNSTUGLLLFX-UKRRQHHQSA-N 1 0 255.365 3.263 10 0 CGAERO CC(C)[NH2+]CCC(=O)N(C)c1ccccc1C(C)C ZINC000076356762 176999050 /nfs/dbraw/zinc/99/90/50/176999050.db2.gz UXSWLIHFVWCZNX-UHFFFAOYSA-N 1 0 262.397 3.161 10 0 CGAERO [NH3+]CC1(C(=O)Nc2cc(Cl)ccc2Cl)CCCC1 ZINC000076501236 177030127 /nfs/dbraw/zinc/03/01/27/177030127.db2.gz RDQPVAOQAFZUOZ-UHFFFAOYSA-N 1 0 287.190 3.451 10 0 CGAERO CC[C@H](C[NH3+])CCC(=O)Nc1c(C)cc(C)cc1C ZINC000076676074 177055924 /nfs/dbraw/zinc/05/59/24/177055924.db2.gz BTBUIRQJAOCKRE-AWEZNQCLSA-N 1 0 262.397 3.315 10 0 CGAERO CC(C)c1ccc(NC(=O)[C@@H](CC[NH3+])C(C)C)cc1 ZINC000076675567 177056094 /nfs/dbraw/zinc/05/60/94/177056094.db2.gz DAIAEQOGNXWBSN-HNNXBMFYSA-N 1 0 262.397 3.370 10 0 CGAERO COc1ccc(OC)c([C@@H](CC[NH3+])C2CCCC2)c1 ZINC000076678554 177057168 /nfs/dbraw/zinc/05/71/68/177057168.db2.gz FDSKASZQNAESNL-AWEZNQCLSA-N 1 0 263.381 3.326 10 0 CGAERO CC1(C)CC[NH2+][C@@H]2CCCN(Cc3ccccc3)[C@@H]21 ZINC000076697520 177060747 /nfs/dbraw/zinc/06/07/47/177060747.db2.gz YHEVCQKICFAAOX-CVEARBPZSA-N 1 0 258.409 3.039 10 0 CGAERO CC(C)[C@@H](C[NH3+])CCC(=O)Nc1ccccc1Cl ZINC000076706047 177066008 /nfs/dbraw/zinc/06/60/08/177066008.db2.gz OMJMJIOUMWNJFJ-LLVKDONJSA-N 1 0 268.788 3.290 10 0 CGAERO CC[C@H](C[NH3+])CC(=O)Nc1cccc(Cl)c1Cl ZINC000076722320 177069899 /nfs/dbraw/zinc/06/98/99/177069899.db2.gz SDGZLVLEYRNPSE-QMMMGPOBSA-N 1 0 275.179 3.307 10 0 CGAERO CC[C@H](C[NH3+])CC(=O)Nc1ccc(C)c(Br)c1 ZINC000076870173 177125389 /nfs/dbraw/zinc/12/53/89/177125389.db2.gz CXPQGRLUHXGTTD-JTQLQIEISA-N 1 0 299.212 3.071 10 0 CGAERO COc1ccc(Cl)cc1[C@]1(C[NH3+])CCC[C@@H]1C ZINC000077607314 177283840 /nfs/dbraw/zinc/28/38/40/177283840.db2.gz PCTVQHZPIHWBEE-HZMBPMFUSA-N 1 0 253.773 3.365 10 0 CGAERO CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)C(C)C ZINC000078585400 177356483 /nfs/dbraw/zinc/35/64/83/177356483.db2.gz LPMADJFKZSRBJJ-CHWSQXEVSA-N 1 0 278.396 3.046 10 0 CGAERO Cc1cnc([C@@H](C)[NH2+][C@H](C)Cc2ccsc2)o1 ZINC000680934112 543747500 /nfs/dbraw/zinc/74/75/00/543747500.db2.gz KPUKDYGJLIZWLJ-MWLCHTKSSA-N 1 0 250.367 3.326 10 0 CGAERO Cc1cn[nH]c1C[NH2+][C@H]1CCCCc2ccccc21 ZINC000685614377 544089301 /nfs/dbraw/zinc/08/93/01/544089301.db2.gz NSMRHVCLPSRTBA-HNNXBMFYSA-N 1 0 255.365 3.275 10 0 CGAERO CC[C@@]1([NH+]2CCCC2)CCCN(C(=O)OC(C)(C)C)C1 ZINC000685961344 544111301 /nfs/dbraw/zinc/11/13/01/544111301.db2.gz QSJCBSUWFYOYFE-MRXNPFEDSA-N 1 0 282.428 3.262 10 0 CGAERO CCCC[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]1 ZINC000725261992 544113937 /nfs/dbraw/zinc/11/39/37/544113937.db2.gz QBHPAFCOWYXKCS-JHJVBQTASA-N 1 0 270.417 3.210 10 0 CGAERO C[C@H]([NH2+]C1CC(CO)C1)c1ccc(C(C)(C)C)cc1 ZINC000658352224 418947722 /nfs/dbraw/zinc/94/77/22/418947722.db2.gz VFAYMCFPUXUAPY-FUJMWEONSA-N 1 0 261.409 3.406 10 0 CGAERO OCC1CC([NH2+][C@@H]2CCCC[C@H]2c2ccccc2)C1 ZINC000658357150 418949848 /nfs/dbraw/zinc/94/98/48/418949848.db2.gz SCJXKQKWOKCXDD-MHVXSEJMSA-N 1 0 259.393 3.073 10 0 CGAERO CC(C)c1nccnc1NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000664630524 418989089 /nfs/dbraw/zinc/98/90/89/418989089.db2.gz DGRGBHKABSWGSS-INIZCTEOSA-N 1 0 296.418 3.286 10 0 CGAERO C[N@H+](C[C@H]1CCC[C@H](O)C1)C1CCC(F)(F)CC1 ZINC000660557625 419162611 /nfs/dbraw/zinc/16/26/11/419162611.db2.gz MXJNTVMOOFJZOP-AAEUAGOBSA-N 1 0 261.356 3.047 10 0 CGAERO Cc1c[nH]c(C[NH2+][C@@H]2CCCCc3ccccc32)n1 ZINC000657342187 419255788 /nfs/dbraw/zinc/25/57/88/419255788.db2.gz SWVSRROWPBVHCE-OAHLLOKOSA-N 1 0 255.365 3.275 10 0 CGAERO C[C@H](CO)[C@H]1CCCC[N@@H+]1C[C@H]1CCCCC1(F)F ZINC000661445081 419262168 /nfs/dbraw/zinc/26/21/68/419262168.db2.gz YWIFZJXJXDUDDB-MGPQQGTHSA-N 1 0 275.383 3.295 10 0 CGAERO O[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H](C3CCCCC3)C2)C1 ZINC000661577799 419274755 /nfs/dbraw/zinc/27/47/55/419274755.db2.gz FWLQVAZVBOFXRY-USXIJHARSA-N 1 0 265.441 3.440 10 0 CGAERO CCC[C@H](O)C[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000164299112 287530106 /nfs/dbraw/zinc/53/01/06/287530106.db2.gz CFWJFFUITXWIMA-GOEBONIOSA-N 1 0 261.409 3.451 10 0 CGAERO CCOC1CCC([NH2+]CC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000658000696 419487967 /nfs/dbraw/zinc/48/79/67/419487967.db2.gz GHFWRTYBCXUHNF-KCNJBTMXSA-N 1 0 269.429 3.127 10 0 CGAERO COC[C@H](CC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C)OC ZINC000658082846 419552434 /nfs/dbraw/zinc/55/24/34/419552434.db2.gz JMSJMFGENXDSPL-KKUMJFAQSA-N 1 0 271.445 3.232 10 0 CGAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@]2(C)CC2(F)F)c1C ZINC000658220590 419674645 /nfs/dbraw/zinc/67/46/45/419674645.db2.gz QPJIFDDVZQSIEJ-ZANVPECISA-N 1 0 271.355 3.216 10 0 CGAERO C[C@H](c1ccc(C(F)(F)F)cc1)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000225160439 260950626 /nfs/dbraw/zinc/95/06/26/260950626.db2.gz DSDICZVLOBXYGA-GRYCIOLGSA-N 1 0 286.341 3.449 10 0 CGAERO CSC[C@@H](O)C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000188212021 262284759 /nfs/dbraw/zinc/28/47/59/262284759.db2.gz YEOKUMDFNUWAMF-WFASDCNBSA-N 1 0 281.465 3.359 10 0 CGAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000189283957 264286961 /nfs/dbraw/zinc/28/69/61/264286961.db2.gz PCJZPRWZTWNOGV-BARDWOONSA-N 1 0 253.430 3.342 10 0 CGAERO CCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000035018863 270027715 /nfs/dbraw/zinc/02/77/15/270027715.db2.gz SLIWQONKTICQLJ-UONOGXRCSA-N 1 0 284.403 3.405 10 0 CGAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000037167165 270028742 /nfs/dbraw/zinc/02/87/42/270028742.db2.gz DURCBPRKIONHPA-HIFRSBDPSA-N 1 0 292.423 3.042 10 0 CGAERO CC(C)C[C@H](CO)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000040773394 270030372 /nfs/dbraw/zinc/03/03/72/270030372.db2.gz PBVKLLZIEBDBLH-GFCCVEGCSA-N 1 0 276.207 3.490 10 0 CGAERO CC[C@H](C(=O)NC[C@H](C)[NH+](CC)CC)c1ccc(F)cc1 ZINC000041307487 270030936 /nfs/dbraw/zinc/03/09/36/270030936.db2.gz GWBOHXMDBSOJHI-BBRMVZONSA-N 1 0 294.414 3.166 10 0 CGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)[C@H](C)c1cccs1 ZINC000046277943 270039447 /nfs/dbraw/zinc/03/94/47/270039447.db2.gz GAXWDBLFQILWPE-QWHCGFSZSA-N 1 0 297.468 3.181 10 0 CGAERO C[N@H+](CCC1CCCCC1)C[C@H](O)COC(C)(C)C ZINC000101733931 270044391 /nfs/dbraw/zinc/04/43/91/270044391.db2.gz RVOADKHTPIFFDZ-HNNXBMFYSA-N 1 0 271.445 3.065 10 0 CGAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)NC1CCC(C)CC1 ZINC000102683590 270044962 /nfs/dbraw/zinc/04/49/62/270044962.db2.gz GYHFRFUFBSKSBX-SIWZUTFBSA-N 1 0 288.435 3.341 10 0 CGAERO Cc1ccccc1[C@H]([NH2+]CCCO)c1ccccc1 ZINC000105692596 270048028 /nfs/dbraw/zinc/04/80/28/270048028.db2.gz RRUIDTOIHYRYHE-QGZVFWFLSA-N 1 0 255.361 3.056 10 0 CGAERO CC(=O)N1CCC(C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000108367609 270050804 /nfs/dbraw/zinc/05/08/04/270050804.db2.gz OMHGSWIUCCYJOS-IRXDYDNUSA-N 1 0 294.483 3.439 10 0 CGAERO C[C@H](c1cnccn1)[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000184590577 270059087 /nfs/dbraw/zinc/05/90/87/270059087.db2.gz UPIRHRWDNHERQY-KYJSFNMBSA-N 1 0 297.402 3.126 10 0 CGAERO CCO[C@@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C12CCOCC2 ZINC000186271941 270065514 /nfs/dbraw/zinc/06/55/14/270065514.db2.gz QRSTVBRCIQDOAZ-SJJHQCBESA-N 1 0 295.467 3.377 10 0 CGAERO CCC[C@@H](C(=O)N(C)CCc1ccc(Cl)cc1)[NH+](C)C ZINC000179318250 265754239 /nfs/dbraw/zinc/75/42/39/265754239.db2.gz BNPAGWPGOQIHBM-HNNXBMFYSA-N 1 0 296.842 3.071 10 0 CGAERO CCN1CCC[C@H]([NH2+][C@@H](C)Cc2ccc(Cl)cc2)C1 ZINC000223038655 270086359 /nfs/dbraw/zinc/08/63/59/270086359.db2.gz SMWUFGCMQJOHQX-BBRMVZONSA-N 1 0 280.843 3.345 10 0 CGAERO Cc1ccc(F)c(C[NH2+][C@H](CC(C)C)CN(C)C)c1 ZINC000227286667 270087200 /nfs/dbraw/zinc/08/72/00/270087200.db2.gz VVUQXYOIAUUYCJ-OAHLLOKOSA-N 1 0 266.404 3.200 10 0 CGAERO OCC[C@@H]1CC[N@H+](CCC23CC4CC(CC(C4)C2)C3)C1 ZINC000227568493 270087400 /nfs/dbraw/zinc/08/74/00/270087400.db2.gz BGGJDAVLTPQTMR-NUVRTYOOSA-N 1 0 277.452 3.297 10 0 CGAERO CCN1CCC[C@@H]([NH2+][C@H](C)c2ccc(C)c(C)c2)C1 ZINC000250229071 270091309 /nfs/dbraw/zinc/09/13/09/270091309.db2.gz FWJHFSGGLBQXTF-NVXWUHKLSA-N 1 0 260.425 3.438 10 0 CGAERO CCN1CCC[C@H]([NH2+][C@H](C)CCc2ccccc2)C1 ZINC000250353910 270091423 /nfs/dbraw/zinc/09/14/23/270091423.db2.gz RUYVLVYQNICUNO-WBVHZDCISA-N 1 0 260.425 3.082 10 0 CGAERO Cc1occc1C[NH2+][C@@H](C)COCc1ccccc1 ZINC000321157756 270093187 /nfs/dbraw/zinc/09/31/87/270093187.db2.gz BLWNQJYSWUXFRK-ZDUSSCGKSA-N 1 0 259.349 3.283 10 0 CGAERO Cc1cc(C[NH3+])ccc1-c1ccc2c(c1)CCOC2 ZINC000530247858 270197507 /nfs/dbraw/zinc/19/75/07/270197507.db2.gz CNGRYCRFLMOBPM-UHFFFAOYSA-N 1 0 253.345 3.193 10 0 CGAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@]1(O)CCSC1 ZINC000247023407 287728577 /nfs/dbraw/zinc/72/85/77/287728577.db2.gz KXWUDTNKZRRXBY-IPYPFGDCSA-N 1 0 271.470 3.049 10 0 CGAERO C[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000182037391 274231319 /nfs/dbraw/zinc/23/13/19/274231319.db2.gz GBGUUYJITQSWNE-MAUKXSAKSA-N 1 0 283.419 3.436 10 0 CGAERO COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CCCC[C@H]2O)cc1 ZINC000248069844 287753969 /nfs/dbraw/zinc/75/39/69/287753969.db2.gz MMVYOIUFHJMRNQ-CXHZTBPHSA-N 1 0 291.435 3.328 10 0 CGAERO Clc1ccc2onc(N3CCC4(CC[NH2+]C4)CC3)c2c1 ZINC000334988892 274883373 /nfs/dbraw/zinc/88/33/73/274883373.db2.gz CWFVZPZTFDTHMZ-UHFFFAOYSA-N 1 0 291.782 3.061 10 0 CGAERO CC1(C)C[C@@H]([NH2+]Cc2cc[nH]c2)c2ccccc2O1 ZINC000177837422 275861392 /nfs/dbraw/zinc/86/13/92/275861392.db2.gz UNVYMWSZUBAORW-CQSZACIVSA-N 1 0 256.349 3.407 10 0 CGAERO CC1(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)CCC1 ZINC000336796053 276167232 /nfs/dbraw/zinc/16/72/32/276167232.db2.gz PAYKNLMDRYUMOO-KFWWJZLASA-N 1 0 251.414 3.192 10 0 CGAERO CCN1CCC[C@H]([NH2+][C@H]2CCCc3cc(OC)ccc32)C1 ZINC000249615026 276179147 /nfs/dbraw/zinc/17/91/47/276179147.db2.gz VBRHFXKEJPQZLH-YJBOKZPZSA-N 1 0 288.435 3.147 10 0 CGAERO CCN1CCC[C@H]([NH2+][C@H](C)c2ccc(F)cc2N(C)C)C1 ZINC000247083534 276179257 /nfs/dbraw/zinc/17/92/57/276179257.db2.gz OZDCAJVBKBOBPB-HIFRSBDPSA-N 1 0 293.430 3.027 10 0 CGAERO CCC[C@H](O)C[N@H+](Cc1cc(OC)cc(OC)c1)C(C)C ZINC000036030874 276287539 /nfs/dbraw/zinc/28/75/39/276287539.db2.gz PRILYWBGFRJFQU-HNNXBMFYSA-N 1 0 295.423 3.075 10 0 CGAERO CCS[C@@H]1CCC[C@@H]1[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000300673762 276397878 /nfs/dbraw/zinc/39/78/78/276397878.db2.gz UWQVZMZRCIRYHD-AUZPSNTRSA-N 1 0 257.443 3.206 10 0 CGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(C)cc(C)c1)CC2 ZINC000180609153 276695544 /nfs/dbraw/zinc/69/55/44/276695544.db2.gz WVIWCAFOARFBJQ-GDBMZVCRSA-N 1 0 298.434 3.123 10 0 CGAERO CC(C)CCOCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000124688958 277356905 /nfs/dbraw/zinc/35/69/05/277356905.db2.gz UFMDDBHVKSELPU-BBWFWOEESA-N 1 0 283.456 3.065 10 0 CGAERO C[C@@H](CC(F)(F)F)[NH2+]C[C@H]1CCO[C@@H]1C(C)(C)C ZINC000328640132 277560245 /nfs/dbraw/zinc/56/02/45/277560245.db2.gz XECRRRIEEYFGLS-AXFHLTTASA-N 1 0 267.335 3.368 10 0 CGAERO COc1cccc([C@H](C)[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000152845480 278021516 /nfs/dbraw/zinc/02/15/16/278021516.db2.gz QLUJPTLFKCSJHE-YSVLISHTSA-N 1 0 275.392 3.257 10 0 CGAERO C[C@H](N[C@H]1CCC[NH2+][C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000396547938 288013718 /nfs/dbraw/zinc/01/37/18/288013718.db2.gz CWNDGSLAFGYVJK-MJVIPROJSA-N 1 0 286.341 3.497 10 0 CGAERO C[C@H](N[C@@H]1CCC[NH2+][C@@H]1C)c1cccc(OC(F)F)c1 ZINC000396543444 288013762 /nfs/dbraw/zinc/01/37/62/288013762.db2.gz BGTVIFBFUHMJDV-MISXGVKJSA-N 1 0 284.350 3.079 10 0 CGAERO Cc1ccoc1C[NH2+]C(C)(C)CCNC(=O)OC(C)(C)C ZINC000397462139 288023748 /nfs/dbraw/zinc/02/37/48/288023748.db2.gz UDJDTNONZZYFCN-UHFFFAOYSA-N 1 0 296.411 3.371 10 0 CGAERO C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)[C@H]1CC1(C)C ZINC000397684103 288027351 /nfs/dbraw/zinc/02/73/51/288027351.db2.gz JNNRUXKSJRIWCX-YWPYICTPSA-N 1 0 295.448 3.175 10 0 CGAERO CCC[C@H]([NH2+][C@@H](C)c1csnn1)[C@@H]1CC1(C)C ZINC000398380753 288043389 /nfs/dbraw/zinc/04/33/89/288043389.db2.gz NDNCBQBTGVGAAR-DCAQKATOSA-N 1 0 253.415 3.404 10 0 CGAERO CCC[C@H]([NH2+][C@H](C)c1csnn1)[C@@H]1CC1(C)C ZINC000398380757 288043401 /nfs/dbraw/zinc/04/34/01/288043401.db2.gz NDNCBQBTGVGAAR-VWYCJHECSA-N 1 0 253.415 3.404 10 0 CGAERO CC1(C[NH2+][C@@H]2CC3(CCCC3)Oc3ccccc32)COC1 ZINC000164454775 278462843 /nfs/dbraw/zinc/46/28/43/278462843.db2.gz NUIVQKDMTGWMAJ-OAHLLOKOSA-N 1 0 287.403 3.449 10 0 CGAERO C[C@@H]1CCC[C@@H](CC[NH+]2CCC(n3cncn3)CC2)C1 ZINC000089122692 278495028 /nfs/dbraw/zinc/49/50/28/278495028.db2.gz LGMTXEBLNSPNDX-CABCVRRESA-N 1 0 276.428 3.131 10 0 CGAERO CC(C)c1ccc([C@H](C)NC(=O)[C@@H]([NH3+])C2CCC2)cc1 ZINC000399156022 288049723 /nfs/dbraw/zinc/04/97/23/288049723.db2.gz DAMQJCSBEIVWRR-LRDDRELGSA-N 1 0 274.408 3.115 10 0 CGAERO C[C@@H]1Cc2ccccc2N(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000261762068 279017476 /nfs/dbraw/zinc/01/74/76/279017476.db2.gz VCVZNIBYTANUPW-IJEWVQPXSA-N 1 0 286.419 3.119 10 0 CGAERO C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000282876251 279052913 /nfs/dbraw/zinc/05/29/13/279052913.db2.gz ZZRUWRGJHURVAV-CUOATXAZSA-N 1 0 296.208 3.203 10 0 CGAERO CC[NH+](CC)[C@@H](C(=O)NC1CCCC1)c1ccc(C)cc1 ZINC000058012577 279141084 /nfs/dbraw/zinc/14/10/84/279141084.db2.gz 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/nfs/dbraw/zinc/48/78/40/281487840.db2.gz FFLHXUMHJKYAJO-HNNXBMFYSA-N 1 0 254.333 3.003 10 0 CGAERO COc1cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2CO)ccc1F ZINC000300411866 295024137 /nfs/dbraw/zinc/02/41/37/295024137.db2.gz ABEZIMRLYYJVDG-CORIIIEPSA-N 1 0 281.371 3.036 10 0 CGAERO COc1ccc([C@@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)C2CC2)cc1 ZINC000091397936 295217045 /nfs/dbraw/zinc/21/70/45/295217045.db2.gz KTOIZLQFLDCYJX-QAPCUYQASA-N 1 0 297.402 3.017 10 0 CGAERO CC1(C)C[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)c2ccc(F)cc2O1 ZINC000186793224 327702508 /nfs/dbraw/zinc/70/25/08/327702508.db2.gz WKEISNGUEDECRO-RBSFLKMASA-N 1 0 293.382 3.321 10 0 CGAERO C[C@@H]1C[C@H](C[NH2+]C2C3CC4CC(C3)CC2C4)CCO1 ZINC000389090860 328616531 /nfs/dbraw/zinc/61/65/31/328616531.db2.gz JSOSIZRROXXOKW-GKAWKQOSSA-N 1 0 263.425 3.216 10 0 CGAERO COc1ccccc1C[C@@H]([NH2+]C[C@]1(C)CCCO1)C(C)C ZINC000167092494 321909515 /nfs/dbraw/zinc/90/95/15/321909515.db2.gz XFSHSECIMQSECW-AEFFLSMTSA-N 1 0 291.435 3.421 10 0 CGAERO 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252.383 3.072 10 0 CGAERO Cc1cc(C[NH2+][C@H](CC(C)C)CN(C)C)ccc1F ZINC000050545512 524781542 /nfs/dbraw/zinc/78/15/42/524781542.db2.gz CPQBCSQAVQBOJN-OAHLLOKOSA-N 1 0 266.404 3.200 10 0 CGAERO C[C@@H]1CN(Cc2ccc(Cl)cc2Cl)CCC[NH2+]1 ZINC000062666765 524992762 /nfs/dbraw/zinc/99/27/62/524992762.db2.gz GHIWWJPFTBITBN-SNVBAGLBSA-N 1 0 273.207 3.177 10 0 CGAERO C[C@H]1OCC[C@H]1[NH2+]Cc1csc(Cl)c1Cl ZINC000309042134 525050708 /nfs/dbraw/zinc/05/07/08/525050708.db2.gz LVIROOGUTAIGMQ-HTRCEHHLSA-N 1 0 266.193 3.322 10 0 CGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(C(F)F)cc1 ZINC000183946353 525086065 /nfs/dbraw/zinc/08/60/65/525086065.db2.gz FHXRFAQEGRDWRJ-IUODEOHRSA-N 1 0 280.362 3.293 10 0 CGAERO C[C@@H]1[C@@H](C)CCCN1[C@@H](C[NH3+])c1c(F)cccc1F ZINC000050564023 525642570 /nfs/dbraw/zinc/64/25/70/525642570.db2.gz ONFZUTFXYDXANN-WDMOLILDSA-N 1 0 268.351 3.085 10 0 CGAERO CSc1ccc(C[NH2+][C@@H](CN(C)C)C(C)C)cc1 ZINC000049197103 526003659 /nfs/dbraw/zinc/00/36/59/526003659.db2.gz WQOTUFNQBNWBNF-HNNXBMFYSA-N 1 0 266.454 3.084 10 0 CGAERO CSc1ccc(N2CC[C@@H](C[NH2+]C(C)C)C2)cc1 ZINC000053011548 526023102 /nfs/dbraw/zinc/02/31/02/526023102.db2.gz SPVOHRJTKSBRMG-ZDUSSCGKSA-N 1 0 264.438 3.233 10 0 CGAERO Fc1cccc(CNC2=[NH+]C3(CCCC3)CS2)c1 ZINC000053046370 526386839 /nfs/dbraw/zinc/38/68/39/526386839.db2.gz KOMZGGZLOCDNID-UHFFFAOYSA-N 1 0 264.369 3.331 10 0 CGAERO Cc1nc(-c2ccc(F)c(Cl)c2)nc(C)c1CC[NH3+] ZINC000062793539 526572976 /nfs/dbraw/zinc/57/29/76/526572976.db2.gz MOJZYGYJGQHGFN-UHFFFAOYSA-N 1 0 279.746 3.054 10 0 CGAERO c1csc(CNC2=[NH+]C[C@H](c3ccccc3)S2)n1 ZINC000049534287 526581625 /nfs/dbraw/zinc/58/16/25/526581625.db2.gz FLFKGOHQVYLVHM-LLVKDONJSA-N 1 0 275.402 3.077 10 0 CGAERO Cc1nc(Cc2cc(F)cc(F)c2)sc1[C@@H](C)[NH3+] ZINC000049349631 526926190 /nfs/dbraw/zinc/92/61/90/526926190.db2.gz QGOKCNPHSMLGBT-SSDOTTSWSA-N 1 0 268.332 3.340 10 0 CGAERO Clc1ccc(CC[NH2+]Cc2ncccn2)c(Cl)c1 ZINC000054458940 526943718 /nfs/dbraw/zinc/94/37/18/526943718.db2.gz CAGQSJFBAAEPAZ-UHFFFAOYSA-N 1 0 282.174 3.116 10 0 CGAERO Cc1nc(N2C[C@H](C)C[C@H](C)C2)sc1C[NH2+]C1CC1 ZINC000054995012 526973714 /nfs/dbraw/zinc/97/37/14/526973714.db2.gz ZGVLASMYYMRZNO-PHIMTYICSA-N 1 0 279.453 3.186 10 0 CGAERO Clc1ccccc1C[C@]1(C[NH2+]C2CC2)CCOC1 ZINC000054665174 526991163 /nfs/dbraw/zinc/99/11/63/526991163.db2.gz BOQGCBWFOUNTDG-HNNXBMFYSA-N 1 0 265.784 3.041 10 0 CGAERO O=C(Nc1ccc(Cl)cc1F)c1ccc2c(c1)C[NH2+]C2 ZINC000156688817 527186058 /nfs/dbraw/zinc/18/60/58/527186058.db2.gz HEDWNUUJXQUBFO-UHFFFAOYSA-N 1 0 290.725 3.335 10 0 CGAERO Cc1ncsc1CCOc1cccc(Cl)c1C(N)=[NH2+] ZINC000052906970 527491643 /nfs/dbraw/zinc/49/16/43/527491643.db2.gz GGURRNHBUNBEBS-UHFFFAOYSA-N 1 0 295.795 3.010 10 0 CGAERO CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H]2[C@H]3COC[C@H]32)cc1 ZINC000367692127 528206958 /nfs/dbraw/zinc/20/69/58/528206958.db2.gz XLLBELZOSXBIII-OSMBCOQSSA-N 1 0 275.392 3.017 10 0 CGAERO CC1(C)CCc2ccccc2[C@H]1[NH2+][C@@H]1CCCOC1 ZINC000156747530 529055797 /nfs/dbraw/zinc/05/57/97/529055797.db2.gz DOFICXHRGPQZJX-GDBMZVCRSA-N 1 0 259.393 3.469 10 0 CGAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]C[C@@H]1CCOC1 ZINC000156733902 529056278 /nfs/dbraw/zinc/05/62/78/529056278.db2.gz DBILBCJZMZPITN-XJKSGUPXSA-N 1 0 259.393 3.326 10 0 CGAERO CC[C@H]1CN(c2ccc(F)c(F)c2F)[C@@H](CC)C[NH2+]1 ZINC000083535436 536161021 /nfs/dbraw/zinc/16/10/21/536161021.db2.gz JJCYMIYAKJJTTA-UWVGGRQHSA-N 1 0 272.314 3.071 10 0 CGAERO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1ccc(Br)cc1 ZINC000217635945 572395879 /nfs/dbraw/zinc/39/58/79/572395879.db2.gz WCLUSBLADTWWRZ-LEWSCRJBSA-N 1 0 298.224 3.403 10 0 CGAERO Clc1ccc(SCc2noc([C@H]3CCC[NH2+]3)n2)cc1 ZINC000090244171 617614108 /nfs/dbraw/zinc/61/41/08/617614108.db2.gz CFHPNMJCLIAVAA-LLVKDONJSA-N 1 0 295.795 3.440 10 0 CGAERO C[C@H]([NH2+]C[C@H](O)C1CC1)c1ccc(C(C)(C)C)cc1 ZINC000071299849 617960577 /nfs/dbraw/zinc/96/05/77/617960577.db2.gz HIHGFSZFWZTNJK-LRDDRELGSA-N 1 0 261.409 3.406 10 0 CGAERO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)COCc2ccccc2)C12CCC2 ZINC000308333995 618210139 /nfs/dbraw/zinc/21/01/39/618210139.db2.gz ADKAQXGTUOOGHQ-USXIJHARSA-N 1 0 289.419 3.139 10 0 CGAERO CCOC(C[N@H+](C)[C@@H]1C[C@@H](OCC)C12CCCC2)OCC ZINC000184987023 625286959 /nfs/dbraw/zinc/28/69/59/625286959.db2.gz QIFVBSBXBNRWEP-HUUCEWRRSA-N 1 0 299.455 3.055 10 0 CGAERO CN(CC[NH2+]CCc1ccccc1)C1CCCCC1 ZINC000066184330 618833555 /nfs/dbraw/zinc/83/35/55/618833555.db2.gz MUGOIEAGUHDBTB-UHFFFAOYSA-N 1 0 260.425 3.083 10 0 CGAERO CCCOc1ccc([C@H](C)[NH2+]Cc2cnc[nH]2)cc1 ZINC000112344599 618961767 /nfs/dbraw/zinc/96/17/67/618961767.db2.gz FMVFERUVTAIJGV-LBPRGKRZSA-N 1 0 259.353 3.049 10 0 CGAERO COC1CC([NH2+]C2CC(c3ccc(Cl)cc3)C2)C1 ZINC000230690690 619287696 /nfs/dbraw/zinc/28/76/96/619287696.db2.gz CLWHKRBUCUWTEL-UHFFFAOYSA-N 1 0 265.784 3.353 10 0 CGAERO CCOC(=O)[C@@H]1C[NH2+]CC12CCC(c1ccccc1)CC2 ZINC000166534411 622890158 /nfs/dbraw/zinc/89/01/58/622890158.db2.gz DTGQFVJAMCFGGR-PQUAAJSLSA-N 1 0 287.403 3.113 10 0 CGAERO CCC1CCC(c2noc([C@@H]3C[NH2+]C[C@H]3C)n2)CC1 ZINC000087933532 623321624 /nfs/dbraw/zinc/32/16/24/623321624.db2.gz LZJFLCAYUQMPDT-IKWCTNDRSA-N 1 0 263.385 3.076 10 0 CGAERO Cc1ccc(Cl)c(NC(=O)[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000232211580 623371204 /nfs/dbraw/zinc/37/12/04/623371204.db2.gz RQELXKLQMFIIPV-NWDGAFQWSA-N 1 0 280.799 3.352 10 0 CGAERO CCSc1ccc(-c2noc([C@@H](C)[NH2+]C)n2)cc1 ZINC000233862595 624651862 /nfs/dbraw/zinc/65/18/62/624651862.db2.gz WKXKZSCZQDBWTC-SECBINFHSA-N 1 0 263.366 3.129 10 0 CGAERO CC[C@@H]1CCCC[C@]12C[NH2+]C[C@H]2C(=O)OC(C)(C)C ZINC000757183431 630587823 /nfs/dbraw/zinc/58/78/23/630587823.db2.gz CAQZDMCLBZSGDP-WWGRRREGSA-N 1 0 267.413 3.134 10 0 CGAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@H]2CSCCS2)c1C ZINC000132598258 636823012 /nfs/dbraw/zinc/82/30/12/636823012.db2.gz NPFQOKHJERGYRJ-GWCFXTLKSA-N 1 0 299.509 3.019 10 0 CGAERO C[C@H](COc1ccccc1)[NH2+]CCc1ccccc1 ZINC000221936615 637767719 /nfs/dbraw/zinc/76/77/19/637767719.db2.gz ZCWAIXRRVAVDFS-OAHLLOKOSA-N 1 0 255.361 3.286 10 0 CGAERO CC1(C)CC[N@H+](C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000076015460 640165907 /nfs/dbraw/zinc/16/59/07/640165907.db2.gz UDAAPRXGAGZMHP-ZDUSSCGKSA-N 1 0 287.325 3.471 10 0 CGAERO CC(=O)c1cc(CN2CCC[C@H]([NH+]3CCCC3)C2)cs1 ZINC000082039410 640559832 /nfs/dbraw/zinc/55/98/32/640559832.db2.gz KBNAJUWGJAABCB-HNNXBMFYSA-N 1 0 292.448 3.011 10 0 CGAERO Cc1ccc(F)cc1-c1noc([C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000089383566 640643257 /nfs/dbraw/zinc/64/32/57/640643257.db2.gz NYOJWDZPAORTIV-YPMHNXCESA-N 1 0 289.354 3.417 10 0 CGAERO [NH3+]C[C@@H]1CCCC[C@@H]1c1nc(C2CCCCC2)no1 ZINC000089383416 640643264 /nfs/dbraw/zinc/64/32/64/640643264.db2.gz GVUVXHIPYVLZCZ-STQMWFEESA-N 1 0 263.385 3.350 10 0 CGAERO [NH3+]C[C@H]1CCCC[C@@H]1c1nc(CCc2ccccc2)no1 ZINC000089383502 640643335 /nfs/dbraw/zinc/64/33/35/640643335.db2.gz IJUYBBIIBIBTFZ-CABCVRRESA-N 1 0 285.391 3.087 10 0 CGAERO C[C@H](NC(=O)[C@@H]1CC[NH2+][C@@H]1C)c1ccc(C(C)(C)C)cc1 ZINC000092951655 640752695 /nfs/dbraw/zinc/75/26/95/640752695.db2.gz PIDQSDRVSXKJNU-WOSRLPQWSA-N 1 0 288.435 3.159 10 0 CGAERO C[C@@H]1CCC[C@H](c2noc([C@H]3CCC[C@H]3C[NH3+])n2)C1 ZINC000251945139 640835915 /nfs/dbraw/zinc/83/59/15/640835915.db2.gz WGXVRWXJOVXNPB-VOAKCMCISA-N 1 0 263.385 3.206 10 0 CGAERO CO[C@H](c1noc([C@@H]2CC[C@H]3CCCC[C@H]3[NH2+]2)n1)C1CC1 ZINC000253173046 640873482 /nfs/dbraw/zinc/87/34/82/640873482.db2.gz LAJPYYBIMGVNQF-ZZVYKPCYSA-N 1 0 291.395 3.150 10 0 CGAERO C[C@H](NC(=O)/C=C\C(C)(C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000588490405 799701009 /nfs/dbraw/zinc/70/10/09/799701009.db2.gz VMBROBGAKORNES-JSQBSXHBSA-N 1 0 288.435 3.396 10 0 CGAERO CC1(C)[C@H](C[NH3+])[C@@H]1c1cccc(Br)c1 ZINC000096958899 185142179 /nfs/dbraw/zinc/14/21/79/185142179.db2.gz FKOMLLSMJVUGKP-MNOVXSKESA-N 1 0 254.171 3.147 10 0 CGAERO CC[C@@H]1C[NH2+][C@@H](C)CN1Cc1cc(F)ccc1Cl ZINC000083518152 178552364 /nfs/dbraw/zinc/55/23/64/178552364.db2.gz KGEAWMIWEJFSBW-GXFFZTMASA-N 1 0 270.779 3.051 10 0 CGAERO C[C@@H](C[NH+]1CCCC1)[C@@](O)(c1ccccc1)c1ccccn1 ZINC000003642315 344859486 /nfs/dbraw/zinc/85/94/86/344859486.db2.gz VBTFCCSRDNNZLY-QFBILLFUSA-N 1 0 296.414 3.049 10 0 CGAERO CCCCc1ccc(NC(=O)C2CCC([NH3+])CC2)cc1 ZINC000037626157 344951978 /nfs/dbraw/zinc/95/19/78/344951978.db2.gz KJENCIRIWVQBTN-UHFFFAOYSA-N 1 0 274.408 3.485 10 0 CGAERO C[NH2+]Cc1csc(-c2ccc(Br)s2)n1 ZINC000041009959 344966598 /nfs/dbraw/zinc/96/65/98/344966598.db2.gz OVKAMPNGIFJIDQ-UHFFFAOYSA-N 1 0 289.223 3.354 10 0 CGAERO C[C@@H]1[C@@H]([NH+](C)C)CN1C(c1ccccc1)c1ccccc1 ZINC000034384376 344939253 /nfs/dbraw/zinc/93/92/53/344939253.db2.gz NFZVFHHOBIMUPB-QAPCUYQASA-N 1 0 280.415 3.410 10 0 CGAERO CC(C)(C)[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000034576622 344940915 /nfs/dbraw/zinc/94/09/15/344940915.db2.gz MIAPCVMJMRHYAQ-UHFFFAOYSA-N 1 0 297.240 3.370 10 0 CGAERO CCCOc1ccccc1OCC[C@H]1CCCC[NH2+]1 ZINC000034972589 344941247 /nfs/dbraw/zinc/94/12/47/344941247.db2.gz QHPGHSPAWMNDII-CQSZACIVSA-N 1 0 263.381 3.386 10 0 CGAERO O[C@H]1CCC[C@H]([NH2+]Cc2c(Cl)cccc2Cl)C1 ZINC000037165370 344947918 /nfs/dbraw/zinc/94/79/18/344947918.db2.gz MZFXQQJHLRPMSA-UWVGGRQHSA-N 1 0 274.191 3.387 10 0 CGAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2Cl)C1 ZINC000037164127 344948298 /nfs/dbraw/zinc/94/82/98/344948298.db2.gz WVGZHUJKZFRPND-GHMZBOCLSA-N 1 0 274.191 3.387 10 0 CGAERO CC(C)[NH2+]CCC(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000037618689 344951814 /nfs/dbraw/zinc/95/18/14/344951814.db2.gz ZNILHQGHUAYAEZ-AWEZNQCLSA-N 1 0 276.424 3.375 10 0 CGAERO Fc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]1Cn1ccnc1 ZINC000188412299 542247959 /nfs/dbraw/zinc/24/79/59/542247959.db2.gz YAZPDSZDLMNSQB-AWEZNQCLSA-N 1 0 293.773 3.340 10 0 CGAERO C[NH2+][C@H](C)c1nc2cc(Br)ccc2s1 ZINC000054053118 345128404 /nfs/dbraw/zinc/12/84/04/345128404.db2.gz FAOIIVYTKIIIBZ-ZCFIWIBFSA-N 1 0 271.183 3.339 10 0 CGAERO CC[NH2+]CC1CCN(c2nc3ccccc3cc2C)CC1 ZINC000063106696 345243269 /nfs/dbraw/zinc/24/32/69/345243269.db2.gz KJUSBTYTKFPNBG-UHFFFAOYSA-N 1 0 283.419 3.369 10 0 CGAERO Cc1ccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)c(C)c1 ZINC000188399512 542248113 /nfs/dbraw/zinc/24/81/13/542248113.db2.gz KIIRDXUVVFWLJN-KRWDZBQOSA-N 1 0 269.392 3.165 10 0 CGAERO CCc1nc(NC[C@H]2CCC[NH2+]C2)cc(-c2ccccc2)n1 ZINC000070456388 345391421 /nfs/dbraw/zinc/39/14/21/345391421.db2.gz YQFXNINCOFLOHM-AWEZNQCLSA-N 1 0 296.418 3.118 10 0 CGAERO CCC[C@@H]1[NH2+]CCc2c(Br)cccc21 ZINC000070821282 345396902 /nfs/dbraw/zinc/39/69/02/345396902.db2.gz POWAKQDUOXUTEE-LBPRGKRZSA-N 1 0 254.171 3.436 10 0 CGAERO CCCOc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000077204430 345559839 /nfs/dbraw/zinc/55/98/39/345559839.db2.gz GHTUYTKNUHXMAO-RDJZCZTQSA-N 1 0 277.408 3.116 10 0 CGAERO C[C@H]([NH2+]Cc1ccc(CO)o1)C12CC3CC(CC(C3)C1)C2 ZINC000081546754 345712363 /nfs/dbraw/zinc/71/23/63/345712363.db2.gz GNHWLMYWMDCNAP-IHWZXDPASA-N 1 0 289.419 3.466 10 0 CGAERO CCC[C@@H]1CN(Cc2ccccc2)[C@H](CCC)C[NH2+]1 ZINC000082935711 345723630 /nfs/dbraw/zinc/72/36/30/345723630.db2.gz GEGXGIRNSQWECW-IAGOWNOFSA-N 1 0 260.425 3.429 10 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ZINC000123959485 187115571 /nfs/dbraw/zinc/11/55/71/187115571.db2.gz QJXVXDWYQNSISY-LBPRGKRZSA-N 1 0 293.798 3.204 10 0 CGAERO C[C@H]1C[C@@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000052287608 137917507 /nfs/dbraw/zinc/91/75/07/137917507.db2.gz SPXQSKJTGGWUDV-CPCISQLKSA-N 1 0 258.134 3.086 10 0 CGAERO CC1CCC(C[NH2+]CC(=O)Nc2ccc(F)cc2)CC1 ZINC000063145477 137932867 /nfs/dbraw/zinc/93/28/67/137932867.db2.gz QJVZNJBKMMZMLY-UHFFFAOYSA-N 1 0 278.371 3.180 10 0 CGAERO C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000328718789 202026713 /nfs/dbraw/zinc/02/67/13/202026713.db2.gz VGIAYIJJROXRNE-QLFBSQMISA-N 1 0 294.439 3.213 10 0 CGAERO c1cc(-c2noc(CSc3ncc4ccccn43)n2)co1 ZINC000105572466 138352481 /nfs/dbraw/zinc/35/24/81/138352481.db2.gz XEZDIMYMZHYARP-UHFFFAOYSA-N 1 0 298.327 3.270 10 0 CGAERO C[C@@H](c1ccco1)N(C)Cc1nc(-c2ccoc2)no1 ZINC000105608618 138352485 /nfs/dbraw/zinc/35/24/85/138352485.db2.gz HACWQVPQPSISRD-JTQLQIEISA-N 1 0 273.292 3.116 10 0 CGAERO Cc1ccc(N2CCC([NH2+]C[C@@H]3CC=CCC3)CC2)nc1 ZINC000123511021 138368255 /nfs/dbraw/zinc/36/82/55/138368255.db2.gz UEDHQNCXJGZPJO-MRXNPFEDSA-N 1 0 285.435 3.305 10 0 CGAERO C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1ccc(C(C)(C)C)cc1 ZINC000111264690 138363994 /nfs/dbraw/zinc/36/39/94/138363994.db2.gz CIEKPFGFQGGGOZ-DVOMOZLQSA-N 1 0 288.435 3.017 10 0 CGAERO c1coc([C@@H]2CCC[N@H+]2Cc2ccc3c(c2)OCCO3)c1 ZINC000116291782 138366027 /nfs/dbraw/zinc/36/60/27/138366027.db2.gz SVFMCUNYFNIZCZ-AWEZNQCLSA-N 1 0 285.343 3.388 10 0 CGAERO CCc1ccc([C@H](C)[NH2+]CC(=O)N2CCC[C@@H](C)C2)cc1 ZINC000125471565 138382468 /nfs/dbraw/zinc/38/24/68/138382468.db2.gz WYDLYRGGTQJJGR-CABCVRRESA-N 1 0 288.435 3.158 10 0 CGAERO C[C@H]([NH2+]C1CCN(c2cccs2)CC1)c1ccncc1 ZINC000126569000 138386307 /nfs/dbraw/zinc/38/63/07/138386307.db2.gz JRDKYIJJZHKNHA-ZDUSSCGKSA-N 1 0 287.432 3.463 10 0 CGAERO c1cnn([C@H]2CCCC[C@@H]2[NH2+]CCOc2ccccc2)c1 ZINC000127807487 138390969 /nfs/dbraw/zinc/39/09/69/138390969.db2.gz KWJGTMXMULDFST-IRXDYDNUSA-N 1 0 285.391 3.035 10 0 CGAERO Cc1ccc(F)cc1NC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000130076967 138399229 /nfs/dbraw/zinc/39/92/29/138399229.db2.gz GTTIRTOZRGMRSR-LRDDRELGSA-N 1 0 286.350 3.409 10 0 CGAERO Cc1cc(F)ccc1NC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000130083282 138399305 /nfs/dbraw/zinc/39/93/05/138399305.db2.gz RFRHDPCPKBUYDL-WBMJQRKESA-N 1 0 286.350 3.409 10 0 CGAERO CCC[C@H]1C[NH2+]CCN1Cc1ccc(F)c(Cl)c1 ZINC000220346566 138494346 /nfs/dbraw/zinc/49/43/46/138494346.db2.gz PFBKXERIYHMRNK-LBPRGKRZSA-N 1 0 270.779 3.053 10 0 CGAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000231293056 138508460 /nfs/dbraw/zinc/50/84/60/138508460.db2.gz ZDNQQGOSBDVCKF-IRXDYDNUSA-N 1 0 259.393 3.205 10 0 CGAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC000231675981 138509079 /nfs/dbraw/zinc/50/90/79/138509079.db2.gz CFPPYGDDIZSEQE-AAEUAGOBSA-N 1 0 259.353 3.256 10 0 CGAERO C[C@H](CCn1cccn1)[NH2+][C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000245907281 138528315 /nfs/dbraw/zinc/52/83/15/138528315.db2.gz FKHSAUBLRACZEA-NXHRZFHOSA-N 1 0 299.418 3.172 10 0 CGAERO C[C@H](CCCC[NH3+])Nc1ncccc1C(F)(F)F ZINC000310788301 138582661 /nfs/dbraw/zinc/58/26/61/138582661.db2.gz UCNRLWNGZFKNBN-SECBINFHSA-N 1 0 261.291 3.030 10 0 CGAERO CCc1noc(C2CCC([NH2+][C@@H]3CC3(C)C)CC2)n1 ZINC000329461408 202347327 /nfs/dbraw/zinc/34/73/27/202347327.db2.gz SRDGMWSFSKUBTO-HTAVTVPLSA-N 1 0 263.385 3.046 10 0 CGAERO C[C@H]1OCC[C@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000350095743 291232845 /nfs/dbraw/zinc/23/28/45/291232845.db2.gz JNBBSRZABFUGJP-HBIQZDMRSA-N 1 0 265.319 3.122 10 0 CGAERO Cc1ccc(F)cc1C[NH+]1CCC(c2ccnn2C)CC1 ZINC000180039449 189234440 /nfs/dbraw/zinc/23/44/40/189234440.db2.gz FWJFSXRQLGDRDG-UHFFFAOYSA-N 1 0 287.382 3.247 10 0 CGAERO C[C@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C)c1cccs1 ZINC000183200048 189349854 /nfs/dbraw/zinc/34/98/54/189349854.db2.gz QQWNDXQWGVGKNK-XQQFMLRXSA-N 1 0 280.437 3.188 10 0 CGAERO C[C@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@H]1C)c1cccs1 ZINC000183200086 189350085 /nfs/dbraw/zinc/35/00/85/189350085.db2.gz QQWNDXQWGVGKNK-UPJWGTAASA-N 1 0 280.437 3.188 10 0 CGAERO Cc1cnc(NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)nc1C ZINC000301898971 201252323 /nfs/dbraw/zinc/25/23/23/201252323.db2.gz XMTSRXPGSJSOAO-MLGOLLRUSA-N 1 0 276.428 3.016 10 0 CGAERO COc1cc(F)cc(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)c1 ZINC000449300713 239302193 /nfs/dbraw/zinc/30/21/93/239302193.db2.gz FCNWJBYFQQRNHK-VXGBXAGGSA-N 1 0 281.371 3.128 10 0 CGAERO Cc1oc2ccccc2c1C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000121288892 370847818 /nfs/dbraw/zinc/84/78/18/370847818.db2.gz SSIVYPDKSWKKOK-BBRMVZONSA-N 1 0 273.376 3.382 10 0 CGAERO Cn1ccnc1CC1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000121760830 370893302 /nfs/dbraw/zinc/89/33/02/370893302.db2.gz ZSNUVLIZLFLUCH-MRXNPFEDSA-N 1 0 273.424 3.031 10 0 CGAERO C[C@@H]([NH2+]C1CCC(O)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000019918796 296114257 /nfs/dbraw/zinc/11/42/57/296114257.db2.gz MTDQZIWPVXRMTC-REUCQDEWSA-N 1 0 277.452 3.484 10 0 CGAERO COc1ccc2c(c1)[C@]13CCCC[C@H]1[C@H](C2)[N@@H+](C)CC3 ZINC000000003649 368269728 /nfs/dbraw/zinc/26/97/28/368269728.db2.gz MKXZASYAUGDDCJ-SZMVWBNQSA-N 1 0 271.404 3.383 10 0 in-man CGAERO C[NH2+]CC[C@@H](Oc1ccc(O)cc1C)c1ccccc1 ZINC000001553549 368417558 /nfs/dbraw/zinc/41/75/58/368417558.db2.gz PPXQPRLGNSJNJM-QGZVFWFLSA-N 1 0 271.360 3.430 10 0 world CGAERO Cc1ccc([C@H]([NH3+])Cn2cnc3ccccc32)c(C)c1 ZINC000011849769 368596678 /nfs/dbraw/zinc/59/66/78/368596678.db2.gz XMGMRTLMCZVIHZ-OAHLLOKOSA-N 1 0 265.360 3.353 10 0 CGAERO Cc1ccc(Cn2cc(CC[NH3+])c3ccccc32)cc1 ZINC000019787542 368765800 /nfs/dbraw/zinc/76/58/00/368765800.db2.gz UUEQEYRJTBLKDR-UHFFFAOYSA-N 1 0 264.372 3.499 10 0 CGAERO FCC[C@@]12[NH2+][C@@H](Cc3ccccc31)c1ccccc12 ZINC000027889853 368877432 /nfs/dbraw/zinc/87/74/32/368877432.db2.gz DHHVHCZZAHJZSA-DLBZAZTESA-N 1 0 253.320 3.490 10 0 CGAERO Cc1c(C)c(CC2=[NH+]CCN2)c(C)c(C)c1Br ZINC000033866824 368969240 /nfs/dbraw/zinc/96/92/40/368969240.db2.gz UOJQSBBFRLTLPY-UHFFFAOYSA-N 1 0 295.224 3.227 10 0 CGAERO COc1cc(OC)c(Nc2cc[nH+]cc2N)cc1Cl ZINC000034964537 368983732 /nfs/dbraw/zinc/98/37/32/368983732.db2.gz VJWVHWHAZFSHQR-UHFFFAOYSA-N 1 0 279.727 3.078 10 0 CGAERO Cc1nn(C)c(Oc2ccccc2)c1C[NH2+]C(C)C ZINC000034664640 368976874 /nfs/dbraw/zinc/97/68/74/368976874.db2.gz YPVYCHBCTSHERH-UHFFFAOYSA-N 1 0 259.353 3.019 10 0 CGAERO Oc1cccc2c1CC[C@@H]2[NH2+]CCc1ccccc1 ZINC000036852052 369034860 /nfs/dbraw/zinc/03/48/60/369034860.db2.gz SQEXMAAKJZJOLO-INIZCTEOSA-N 1 0 253.345 3.212 10 0 CGAERO c1ccc(N2c3ccccc3[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000039370091 369150634 /nfs/dbraw/zinc/15/06/34/369150634.db2.gz CJWPRFAPIUPOSX-NVXWUHKLSA-N 1 0 250.345 3.284 10 0 CGAERO Cc1cc(OCc2ccccn2)c2cccc(O)c2n1 ZINC000038222812 369145105 /nfs/dbraw/zinc/14/51/05/369145105.db2.gz HODPMDMZQBLEAH-UHFFFAOYSA-N 1 0 266.300 3.223 10 0 CGAERO Brc1cccc(CC[C@H]2CCC[NH2+]2)c1 ZINC000041324137 369182097 /nfs/dbraw/zinc/18/20/97/369182097.db2.gz PTPCNPMZVAPPQB-GFCCVEGCSA-N 1 0 254.171 3.134 10 0 CGAERO C[C@H]([NH2+]Cc1ccc(-c2cc[nH]n2)cc1)c1ccccn1 ZINC000040768475 369163180 /nfs/dbraw/zinc/16/31/80/369163180.db2.gz YCUKNIHDBMSPLT-ZDUSSCGKSA-N 1 0 278.359 3.323 10 0 CGAERO [NH3+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000040996527 369167275 /nfs/dbraw/zinc/16/72/75/369167275.db2.gz QTBGLMYKKLAQKT-UHFFFAOYSA-N 1 0 269.167 3.031 10 0 CGAERO CC[C@H]([NH2+][C@@H](C)c1cnc2cc(C)nn2c1C)C(C)C ZINC000049127238 369389924 /nfs/dbraw/zinc/38/99/24/369389924.db2.gz LFMMWGKLVAYSNS-WFASDCNBSA-N 1 0 274.412 3.431 10 0 CGAERO CCC[NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000048625345 369363392 /nfs/dbraw/zinc/36/33/92/369363392.db2.gz MFGIQBHYUOMNBP-OCCSQVGLSA-N 1 0 253.773 3.417 10 0 CGAERO Cc1ccccc1C1CC([NH2+][C@H]2CCCC[C@H]2O)C1 ZINC000051997280 369461100 /nfs/dbraw/zinc/46/11/00/369461100.db2.gz BEGCCHNSLAYEFM-YQEWQEHLSA-N 1 0 259.393 3.134 10 0 CGAERO CSCCC[N@@H+](Cc1ccsc1)C[C@@H]1CCCO1 ZINC000055225138 369513124 /nfs/dbraw/zinc/51/31/24/369513124.db2.gz FQCGSQQYHXKDSP-AWEZNQCLSA-N 1 0 285.478 3.482 10 0 CGAERO CCc1ccc([C@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)o1 ZINC000129449218 370987848 /nfs/dbraw/zinc/98/78/48/370987848.db2.gz DQGIPOKFTKIDLE-OAHLLOKOSA-N 1 0 292.423 3.236 10 0 CGAERO Clc1ccccc1[C@H]1C[N@H+](Cc2ccccc2)CCN1 ZINC000056894783 369528587 /nfs/dbraw/zinc/52/85/87/369528587.db2.gz CBTSJPPHCIFRDD-QGZVFWFLSA-N 1 0 286.806 3.487 10 0 CGAERO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccccc2)CCN1 ZINC000056894865 369528708 /nfs/dbraw/zinc/52/87/08/369528708.db2.gz JQAZAFOEUIOEIB-SFHVURJKSA-N 1 0 266.388 3.142 10 0 CGAERO CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC2CC2)cc1 ZINC000067127571 369713414 /nfs/dbraw/zinc/71/34/14/369713414.db2.gz LXMSWPHAMYWULI-STQMWFEESA-N 1 0 274.408 3.128 10 0 CGAERO C[C@@H](N[C@@H](C)[C@@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000400362535 296148943 /nfs/dbraw/zinc/14/89/43/296148943.db2.gz QKTIBAGCYUHIPH-SUNKGSAMSA-N 1 0 297.240 3.240 10 0 CGAERO [NH3+][C@H]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000070557214 369805202 /nfs/dbraw/zinc/80/52/02/369805202.db2.gz QYCUHKIYDAJHOY-JQWIXIFHSA-N 1 0 277.755 3.375 10 0 CGAERO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000073716765 369864687 /nfs/dbraw/zinc/86/46/87/369864687.db2.gz QAYOLRVSUFIPCR-SRVKXCTJSA-N 1 0 298.377 3.309 10 0 CGAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccc(Cl)cc1 ZINC000083704276 370009323 /nfs/dbraw/zinc/00/93/23/370009323.db2.gz HDLJSRFWSXISAS-XJKSGUPXSA-N 1 0 278.827 3.399 10 0 CGAERO CCN1CC[NH+](CCC2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000089100053 370037418 /nfs/dbraw/zinc/03/74/18/370037418.db2.gz PREJBCYIZPBVEJ-GJZGRUSLSA-N 1 0 252.446 3.086 10 0 CGAERO CC[C@H](c1ccccc1)[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000090824836 370069301 /nfs/dbraw/zinc/06/93/01/370069301.db2.gz TZTISKMXBMYKET-IAGOWNOFSA-N 1 0 258.409 3.308 10 0 CGAERO Clc1ccc(C[C@@H]2COCC[C@H]2[NH2+]C2CC2)cc1 ZINC000095073884 370170077 /nfs/dbraw/zinc/17/00/77/370170077.db2.gz CBPCXHLFRSKHTA-IUODEOHRSA-N 1 0 265.784 3.040 10 0 CGAERO C[NH2+][C@@H]1CCOC[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000095075896 370171011 /nfs/dbraw/zinc/17/10/11/370171011.db2.gz GTZXEUCCTLJKMX-ZWNOBZJWSA-N 1 0 274.191 3.160 10 0 CGAERO C[C@H](c1ccco1)[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095088747 370172353 /nfs/dbraw/zinc/17/23/53/370172353.db2.gz CVAFLCJXRSDTSI-OLZOCXBDSA-N 1 0 294.395 3.282 10 0 CGAERO CCC[C@]1(C)CCC[N@H+](Cc2c(C)nn(C)c2OC)C1 ZINC000093509067 370137084 /nfs/dbraw/zinc/13/70/84/370137084.db2.gz XHLQBBSDIHHUAL-MRXNPFEDSA-N 1 0 279.428 3.139 10 0 CGAERO COc1cc(OC)cc([C@@H]2CC[N@H+](Cc3cc[nH]c3)C2)c1 ZINC000093838041 370162933 /nfs/dbraw/zinc/16/29/33/370162933.db2.gz QIZFPJFFVLXAGM-CQSZACIVSA-N 1 0 286.375 3.021 10 0 CGAERO [NH3+][C@H]1C[C@@H](c2cccc(F)c2)Nc2cc3c(cc21)OCO3 ZINC000097758487 370252723 /nfs/dbraw/zinc/25/27/23/370252723.db2.gz MLXGUXHOSCJZNF-STQMWFEESA-N 1 0 286.306 3.111 10 0 CGAERO CC(C)NC(=O)CC[N@H+](C)CCc1cccc2ccccc21 ZINC000101556317 370290622 /nfs/dbraw/zinc/29/06/22/370290622.db2.gz DOCGLBGRMLOWCJ-UHFFFAOYSA-N 1 0 298.430 3.229 10 0 CGAERO CC(C)OC(=O)CC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000112518619 370430227 /nfs/dbraw/zinc/43/02/27/370430227.db2.gz SDPWDNBTWSCWPI-NSHDSACASA-N 1 0 269.772 3.332 10 0 CGAERO CC(C)(C)CC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000112697430 370443451 /nfs/dbraw/zinc/44/34/51/370443451.db2.gz HXEXXGDNCSREQL-CQSZACIVSA-N 1 0 261.413 3.252 10 0 CGAERO Cn1cc([C@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)cn1 ZINC000116324011 370557347 /nfs/dbraw/zinc/55/73/47/370557347.db2.gz XRWOJYJNRKRIHS-ZDUSSCGKSA-N 1 0 275.783 3.063 10 0 CGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(F)c(Cl)c1 ZINC000129924019 371007137 /nfs/dbraw/zinc/00/71/37/371007137.db2.gz UMCHOIGQXGSTQE-LBPRGKRZSA-N 1 0 298.789 3.035 10 0 CGAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]Cc1cnc[nH]1 ZINC000130154452 371015077 /nfs/dbraw/zinc/01/50/77/371015077.db2.gz FVSPFNMQDLUAQU-HNNXBMFYSA-N 1 0 255.365 3.213 10 0 CGAERO Cc1ccc([C@H]2CCCC[N@H+]2C[C@H](O)COCC(C)C)o1 ZINC000130955758 371072999 /nfs/dbraw/zinc/07/29/99/371072999.db2.gz WUHAXULIWHKYCR-JKSUJKDBSA-N 1 0 295.423 3.149 10 0 CGAERO C[C@H]([NH2+][C@H]1CCC[C@H]1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400316645 299422533 /nfs/dbraw/zinc/42/25/33/299422533.db2.gz ADAATYHALYMCLM-BARDWOONSA-N 1 0 296.455 3.410 10 0 CGAERO Cc1ccc(C[NH2+][C@@H]2CCO[C@H]2C)c(Br)c1 ZINC000134248735 371316512 /nfs/dbraw/zinc/31/65/12/371316512.db2.gz RRFGSVKDOLAWOD-GXFFZTMASA-N 1 0 284.197 3.025 10 0 CGAERO C[C@H]1CN(Cc2ccc(Br)cc2)CCS1 ZINC000134344533 371324953 /nfs/dbraw/zinc/32/49/53/371324953.db2.gz VRTKGSFHZYAUEW-JTQLQIEISA-N 1 0 286.238 3.386 10 0 CGAERO Cc1ccncc1C[NH2+][C@@H]1CCOc2ccccc21 ZINC000135445055 371427825 /nfs/dbraw/zinc/42/78/25/371427825.db2.gz FFLHXUMHJKYAJO-OAHLLOKOSA-N 1 0 254.333 3.003 10 0 CGAERO CC(C)[N@H+]1C[C@H](N[C@@H](C)c2ccccc2F)[C@@H](C)C1 ZINC000151848198 371642069 /nfs/dbraw/zinc/64/20/69/371642069.db2.gz XIGGDMJBPSIFLE-XEZPLFJOSA-N 1 0 264.388 3.205 10 0 CGAERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc3ccccc3c2)[C@@H](C)C1 ZINC000155346866 371923285 /nfs/dbraw/zinc/92/32/85/371923285.db2.gz 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YYAIPQXQQZDBSE-VGWMRTNUSA-N 1 0 280.456 3.179 10 0 CGAERO CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC000251786426 165799201 /nfs/dbraw/zinc/79/92/01/165799201.db2.gz XDPDNNZCFXNBPS-UPJWGTAASA-N 1 0 278.362 3.039 10 0 CGAERO CC1(C)CN(Cc2cc(Cl)ccc2F)CC[C@H]1[NH3+] ZINC000261571750 165817893 /nfs/dbraw/zinc/81/78/93/165817893.db2.gz LFBNNZSDWIAFFZ-CYBMUJFWSA-N 1 0 270.779 3.038 10 0 CGAERO Cc1ccc([C@@H]2CCCN2C(=O)CC[C@H]2CC[NH2+]C2)s1 ZINC000261898414 165841186 /nfs/dbraw/zinc/84/11/86/165841186.db2.gz YJJXDTMADPEMOU-KBPBESRZSA-N 1 0 292.448 3.110 10 0 CGAERO CC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000116388435 287157676 /nfs/dbraw/zinc/15/76/76/287157676.db2.gz OXYLSLKHLBOMSJ-BBWFWOEESA-N 1 0 261.409 3.148 10 0 CGAERO CC(C)(C)[NH2+]C[C@](C)(O)c1ccc(Br)cc1 ZINC000004949305 170044299 /nfs/dbraw/zinc/04/42/99/170044299.db2.gz NBATVHDWJPIANZ-ZDUSSCGKSA-N 1 0 286.213 3.045 10 0 CGAERO Clc1ccc(Cn2ccnc2C[NH2+]C2CC2)c(Cl)c1 ZINC000006688290 170226284 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/nfs/dbraw/zinc/83/56/70/170835670.db2.gz ZXNCAFDBTVXZLK-MRXNPFEDSA-N 1 0 257.333 3.082 10 0 CGAERO COc1cc([C@H](C)[NH2+]CCc2ccccc2F)ccc1O ZINC000019912766 170922496 /nfs/dbraw/zinc/92/24/96/170922496.db2.gz UPTDBSNVTPFNDK-LBPRGKRZSA-N 1 0 289.350 3.433 10 0 CGAERO CCOc1ccccc1[C@@H]([NH3+])c1ccc(OC)cc1OC ZINC000019967702 170949550 /nfs/dbraw/zinc/94/95/50/170949550.db2.gz DSNUCLRMHLCRKN-QGZVFWFLSA-N 1 0 287.359 3.151 10 0 CGAERO NC(=[NH2+])c1ccccc1O[C@H]1CCCc2ccccc21 ZINC000020076683 170984686 /nfs/dbraw/zinc/98/46/86/170984686.db2.gz QFMAMFONXLVYGW-HNNXBMFYSA-N 1 0 266.344 3.427 10 0 CGAERO CC(C)[C@H](CNCc1cc2ccccc2o1)[NH+](C)C ZINC000020145912 171031702 /nfs/dbraw/zinc/03/17/02/171031702.db2.gz BMEYQYJJYWKESS-HNNXBMFYSA-N 1 0 260.381 3.109 10 0 CGAERO CC(C)[C@H](CNCc1ccccc1Br)[NH+](C)C ZINC000020145880 171032086 /nfs/dbraw/zinc/03/20/86/171032086.db2.gz IVRKLKYSHCUWDK-AWEZNQCLSA-N 1 0 299.256 3.125 10 0 CGAERO COc1cc(C[NH2+][C@@H]2CCCc3occc32)ccc1O ZINC000020203848 171068644 /nfs/dbraw/zinc/06/86/44/171068644.db2.gz BMLRPKBMQNUZDU-CYBMUJFWSA-N 1 0 273.332 3.161 10 0 CGAERO [NH3+][C@@H](CC(=O)NCc1ccc(Cl)cc1)c1ccccc1 ZINC000020210210 171073986 /nfs/dbraw/zinc/07/39/86/171073986.db2.gz OMWJWNCVFYRHAP-HNNXBMFYSA-N 1 0 288.778 3.046 10 0 CGAERO COc1ccc(CN(C)[C@@H](C[NH3+])c2cccc(C)c2)cc1 ZINC000020225506 171088334 /nfs/dbraw/zinc/08/83/34/171088334.db2.gz XVQLCITVXMFCNB-SFHVURJKSA-N 1 0 284.403 3.135 10 0 CGAERO [NH3+][C@H]1c2ccccc2CC[C@H]1Oc1ccccc1F ZINC000020262540 171120031 /nfs/dbraw/zinc/12/00/31/171120031.db2.gz UXBCSSFCHVJIIJ-CVEARBPZSA-N 1 0 257.308 3.219 10 0 CGAERO N[C@@H]1c2ccccc2CC[C@@H]1[NH+]1CCCCCCC1 ZINC000020265507 171122307 /nfs/dbraw/zinc/12/23/07/171122307.db2.gz KCVSIAIXOUHLRS-DLBZAZTESA-N 1 0 258.409 3.267 10 0 CGAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC000020364182 171162685 /nfs/dbraw/zinc/16/26/85/171162685.db2.gz UXHMQXCCWGCTHH-LLVKDONJSA-N 1 0 282.815 3.123 10 0 CGAERO C[C@@H]([NH3+])c1ccccc1O[C@@H](C)C(=O)Nc1ccccc1 ZINC000020419487 171184175 /nfs/dbraw/zinc/18/41/75/171184175.db2.gz XOBJSRXGZRKQEJ-OLZOCXBDSA-N 1 0 284.359 3.112 10 0 CGAERO CCC(CC)NC(=O)[C@H](C)Oc1ccccc1[C@H]([NH3+])CC ZINC000020419905 171184983 /nfs/dbraw/zinc/18/49/83/171184983.db2.gz KASHSEHGCTYWEI-SWLSCSKDSA-N 1 0 292.423 3.169 10 0 CGAERO Cc1ccc([C@H]([NH3+])Cc2nc3ccccc3o2)s1 ZINC000020427591 171193091 /nfs/dbraw/zinc/19/30/91/171193091.db2.gz UMOMCOBOPAZFJN-SNVBAGLBSA-N 1 0 258.346 3.440 10 0 CGAERO Cc1ccc([C@@H]([NH3+])Cc2nc3ccccc3o2)cc1 ZINC000020427768 171193630 /nfs/dbraw/zinc/19/36/30/171193630.db2.gz PSNPTSBVXDTIIN-ZDUSSCGKSA-N 1 0 252.317 3.379 10 0 CGAERO COc1ccc([C@@H]([NH3+])c2cc(C)sc2C)cc1OC ZINC000020431502 171196165 /nfs/dbraw/zinc/19/61/65/171196165.db2.gz CYXSONZQAMKKFV-OAHLLOKOSA-N 1 0 277.389 3.430 10 0 CGAERO Clc1ccc(/C=C/C[NH2+][C@H]2CN3CCC2CC3)cc1 ZINC000020477360 171221177 /nfs/dbraw/zinc/22/11/77/171221177.db2.gz OQZXOPRLLTUGON-PYKQWIPUSA-N 1 0 276.811 3.037 10 0 CGAERO CCCCN(CCCC)C(=O)C1([NH3+])CCCCC1 ZINC000020485546 171225342 /nfs/dbraw/zinc/22/53/42/171225342.db2.gz YSWGCUUOCFZSCB-UHFFFAOYSA-N 1 0 254.418 3.077 10 0 CGAERO CCC[C@@H]([NH3+])c1ccc(OC)c(Br)c1 ZINC000020522074 171235589 /nfs/dbraw/zinc/23/55/89/171235589.db2.gz HLFCBCPVFMWPJO-SNVBAGLBSA-N 1 0 258.159 3.258 10 0 CGAERO CC[NH2+]CCOc1ccc(Oc2ccccc2)cc1 ZINC000020525259 171238064 /nfs/dbraw/zinc/23/80/64/171238064.db2.gz GSKUPVJEJSVNKD-UHFFFAOYSA-N 1 0 257.333 3.467 10 0 CGAERO CN(Cc1cccc(F)c1)[C@H](C[NH3+])C1CCCCC1 ZINC000020545701 171243683 /nfs/dbraw/zinc/24/36/83/171243683.db2.gz SKMZJFHUQGVAQN-MRXNPFEDSA-N 1 0 264.388 3.165 10 0 CGAERO COc1c(Cl)cc(C[NH2+]C[C@@H]2CCCO2)cc1Cl ZINC000020928333 171280480 /nfs/dbraw/zinc/28/04/80/171280480.db2.gz QRAMJLWUSAVZPY-JTQLQIEISA-N 1 0 290.190 3.271 10 0 CGAERO CCCC[N@H+](CC)[C@@]1(CN)CCCc2ccccc21 ZINC000021012788 171288316 /nfs/dbraw/zinc/28/83/16/171288316.db2.gz XJSHDXVCCULIRG-QGZVFWFLSA-N 1 0 260.425 3.299 10 0 CGAERO C[C@H]1C[C@H](C)C[NH+](C2(CN)CCCCCCC2)C1 ZINC000021026900 171291151 /nfs/dbraw/zinc/29/11/51/171291151.db2.gz KDSLMOCBCDULJO-GJZGRUSLSA-N 1 0 252.446 3.406 10 0 CGAERO CC(C)C[C@@H](C[NH2+]C1CCCCCCC1)N1CCOCC1 ZINC000021800530 171325854 /nfs/dbraw/zinc/32/58/54/171325854.db2.gz RTDQNOULEJRDGC-SFHVURJKSA-N 1 0 296.499 3.436 10 0 CGAERO [NH3+]Cc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1 ZINC000021953678 171340689 /nfs/dbraw/zinc/34/06/89/171340689.db2.gz KFCDNACMJYAYSW-UHFFFAOYSA-N 1 0 294.276 3.416 10 0 CGAERO CCC[NH+](CCC)CCC(=O)Nc1cc(N)ccc1C ZINC000022154838 171361700 /nfs/dbraw/zinc/36/17/00/171361700.db2.gz RKJHAKHWZDVVGH-UHFFFAOYSA-N 1 0 277.412 3.028 10 0 CGAERO Cc1cccc([C@H](C[NH3+])N2CCc3sccc3C2)c1 ZINC000022168788 171367404 /nfs/dbraw/zinc/36/74/04/171367404.db2.gz PFXOQNUNQIFVJO-HNNXBMFYSA-N 1 0 272.417 3.115 10 0 CGAERO Cc1ccsc1[C@H](C[NH3+])N1CCc2ccccc21 ZINC000022173845 171369314 /nfs/dbraw/zinc/36/93/14/171369314.db2.gz GGKJNWGCTLGZKW-AWEZNQCLSA-N 1 0 258.390 3.119 10 0 CGAERO C[N@H+]([C@H](CN)c1ccc(F)cc1)C1CCCCC1 ZINC000022175486 171370289 /nfs/dbraw/zinc/37/02/89/171370289.db2.gz IADMEDIGHABCMJ-OAHLLOKOSA-N 1 0 250.361 3.090 10 0 CGAERO C[C@H]([NH3+])c1ccc(NC(=O)Nc2ccccc2F)cc1 ZINC000022176693 171370814 /nfs/dbraw/zinc/37/08/14/171370814.db2.gz ZFBWWPWBBNFKDL-JTQLQIEISA-N 1 0 273.311 3.489 10 0 CGAERO CC[N@H+]([C@H](CN)c1ccsc1)C1CCCCC1 ZINC000022176846 171370830 /nfs/dbraw/zinc/37/08/30/171370830.db2.gz LVNRFFFKNFVDID-CQSZACIVSA-N 1 0 252.427 3.403 10 0 CGAERO C[C@H]([NH3+])c1ccc(NC(=O)NC2CCCCC2)cc1 ZINC000022217115 171375971 /nfs/dbraw/zinc/37/59/71/171375971.db2.gz CINOPARULDHJQT-NSHDSACASA-N 1 0 261.369 3.161 10 0 CGAERO Cc1ccsc1[C@@H](C[NH3+])N1CCc2sccc2C1 ZINC000022222302 171378748 /nfs/dbraw/zinc/37/87/48/171378748.db2.gz RVSBZAGTASQVRK-GFCCVEGCSA-N 1 0 278.446 3.176 10 0 CGAERO C[C@H]([NH3+])c1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000022222307 171378820 /nfs/dbraw/zinc/37/88/20/171378820.db2.gz FXOYXMNKINICRK-ZDUSSCGKSA-N 1 0 268.360 3.278 10 0 CGAERO COc1cccc(OC[C@H]([NH3+])c2cc(C)ccc2OC)c1 ZINC000023067830 171409089 /nfs/dbraw/zinc/40/90/89/171409089.db2.gz UDDDESWEOPUBJF-INIZCTEOSA-N 1 0 287.359 3.091 10 0 CGAERO CCO[C@@H](c1ccccc1)[C@@H]([NH3+])Cc1ccccc1 ZINC000023068630 171409637 /nfs/dbraw/zinc/40/96/37/171409637.db2.gz LRBMIIHLBBDLPO-IRXDYDNUSA-N 1 0 255.361 3.334 10 0 CGAERO CCC[NH+](CCC)[C@@H]1CCc2c(O)c(C=O)ccc2C1 ZINC000026172361 171474269 /nfs/dbraw/zinc/47/42/69/171474269.db2.gz GEWXPYTYTABOPH-OAHLLOKOSA-N 1 0 275.392 3.184 10 0 CGAERO Cn1c2ccccc2c2c1[C@H](c1ccccc1)C[NH2+]CC2 ZINC000028260894 171554715 /nfs/dbraw/zinc/55/47/15/171554715.db2.gz ORGWNXXZSCEMNG-KRWDZBQOSA-N 1 0 276.383 3.456 10 0 CGAERO COc1ccc2[nH]c3c(c2c1)CC[NH2+]C[C@H]3c1ccccc1 ZINC000028261311 171554816 /nfs/dbraw/zinc/55/48/16/171554816.db2.gz GCCLOEBFURCBFR-KRWDZBQOSA-N 1 0 292.382 3.454 10 0 CGAERO CC[C@](O)(C[NH2+]C1CC1)c1ccc(C(C)(C)C)cc1 ZINC000032112143 171705211 /nfs/dbraw/zinc/70/52/11/171705211.db2.gz UBESOHLCRDGNJR-KRWDZBQOSA-N 1 0 261.409 3.334 10 0 CGAERO COc1ccc([C@@H](C[NH3+])Oc2ccc3c(c2)CCC3)cc1 ZINC000032129042 171714374 /nfs/dbraw/zinc/71/43/74/171714374.db2.gz SBHRESXBCZSAAJ-GOSISDBHSA-N 1 0 283.371 3.263 10 0 CGAERO CCC[NH2+][C@H](C)c1cccc(OCCOCC)c1 ZINC000035063536 171964253 /nfs/dbraw/zinc/96/42/53/171964253.db2.gz SOZGDUHFARLHSZ-CYBMUJFWSA-N 1 0 251.370 3.163 10 0 CGAERO CCC[C@@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1C ZINC000035159865 172017564 /nfs/dbraw/zinc/01/75/64/172017564.db2.gz LJGIOBQRPGOESH-LLVKDONJSA-N 1 0 268.788 3.365 10 0 CGAERO [NH3+]CC1(N2CC[C@@H]3CCCC[C@@H]3C2)CCCCC1 ZINC000035176761 172030276 /nfs/dbraw/zinc/03/02/76/172030276.db2.gz JNTCLIJQDQPVPB-LSDHHAIUSA-N 1 0 250.430 3.160 10 0 CGAERO FC(F)(F)[C@H]1CCCC[C@H]1[NH2+]Cc1cccnc1 ZINC000035258148 172089252 /nfs/dbraw/zinc/08/92/52/172089252.db2.gz JGETYMNJXKWUQW-NWDGAFQWSA-N 1 0 258.287 3.292 10 0 CGAERO CCC[C@H](C)[C@H]([NH3+])c1cc2c(cc1F)NC(=O)CC2 ZINC000035359641 172150125 /nfs/dbraw/zinc/15/01/25/172150125.db2.gz QTNWTSUQVWAFMY-VFZGTOFNSA-N 1 0 264.344 3.146 10 0 CGAERO Cc1occc1[C@H]([NH3+])c1cc2c(cc1Cl)OCCO2 ZINC000035382025 172164795 /nfs/dbraw/zinc/16/47/95/172164795.db2.gz HABFVIGMXMHGHH-AWEZNQCLSA-N 1 0 279.723 3.061 10 0 CGAERO C[NH2+][C@@H](c1ccc(C)s1)c1ccc2c(c1)CCO2 ZINC000035467743 172216159 /nfs/dbraw/zinc/21/61/59/172216159.db2.gz ZHWCEJYVZLEMEA-OAHLLOKOSA-N 1 0 259.374 3.300 10 0 CGAERO C[NH2+][C@@H](c1ccc2c(c1)CCO2)c1cccc(C)c1 ZINC000035467917 172216546 /nfs/dbraw/zinc/21/65/46/172216546.db2.gz HRFXCOMSPHGGQM-QGZVFWFLSA-N 1 0 253.345 3.239 10 0 CGAERO CC[C@H]([NH2+]C)c1cc(OC)c(OC)cc1Br ZINC000035496598 172229719 /nfs/dbraw/zinc/22/97/19/172229719.db2.gz BIOALTJKZTWPJK-JTQLQIEISA-N 1 0 288.185 3.137 10 0 CGAERO C[NH2+][C@H](CC(F)(F)F)c1cc(F)ccc1OC ZINC000035499361 172233331 /nfs/dbraw/zinc/23/33/31/172233331.db2.gz YXUPYJDGKQCPBE-SECBINFHSA-N 1 0 251.223 3.047 10 0 CGAERO C[NH2+][C@@H](c1cccs1)c1ccc2c(c1)C[C@H](C)O2 ZINC000035504474 172238621 /nfs/dbraw/zinc/23/86/21/172238621.db2.gz XUBWOLSZVZMRAS-ZUZCIYMTSA-N 1 0 259.374 3.380 10 0 CGAERO Cc1ccc(C)c(Cn2ccnc2C[NH2+]CC(C)C)c1 ZINC000035517923 172243206 /nfs/dbraw/zinc/24/32/06/172243206.db2.gz DIFNELLENUWDHL-UHFFFAOYSA-N 1 0 271.408 3.294 10 0 CGAERO CC[NH2+][C@H](c1cnn(C)c1)C12CC3CC(CC(C3)C1)C2 ZINC000035555917 172261483 /nfs/dbraw/zinc/26/14/83/172261483.db2.gz YPNCNXKBLMYWCO-QUZGTJOHSA-N 1 0 273.424 3.287 10 0 CGAERO CC[NH2+][C@H](c1cc2c(cc1Cl)OCCO2)C(C)C ZINC000035557728 172263516 /nfs/dbraw/zinc/26/35/16/172263516.db2.gz GZNKNPLHHDCUCP-AWEZNQCLSA-N 1 0 269.772 3.418 10 0 CGAERO CC[NH2+][C@@H](Cc1ncc[nH]1)c1ccc(C(C)C)cc1 ZINC000035570182 172265596 /nfs/dbraw/zinc/26/55/96/172265596.db2.gz RZVOVDQZVQTKBM-HNNXBMFYSA-N 1 0 257.381 3.426 10 0 CGAERO CC[NH2+][C@H](Cc1ncc[nH]1)c1ccc(Br)cc1 ZINC000035570413 172266713 /nfs/dbraw/zinc/26/67/13/172266713.db2.gz MBJGBDQUTZMQMR-GFCCVEGCSA-N 1 0 294.196 3.066 10 0 CGAERO CC[NH2+][C@@H](c1ccc(C)o1)c1ccc(OC)c(F)c1 ZINC000035572034 172267964 /nfs/dbraw/zinc/26/79/64/172267964.db2.gz VSTWREQOXHOWFW-OAHLLOKOSA-N 1 0 263.312 3.435 10 0 CGAERO CCC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1cnn(C)c1 ZINC000035584122 172283203 /nfs/dbraw/zinc/28/32/03/172283203.db2.gz IYWFVEDCROSKOV-HNNXBMFYSA-N 1 0 277.799 3.357 10 0 CGAERO CCC[NH2+][C@@H](Cc1ncc[nH]1)c1ccc(Br)o1 ZINC000035586297 172285776 /nfs/dbraw/zinc/28/57/76/172285776.db2.gz HPHZCNKPGUSWOH-VIFPVBQESA-N 1 0 298.184 3.049 10 0 CGAERO CCC[NH2+][C@@H](c1ccc(OC)c(F)c1)[C@H]1CCCO1 ZINC000035598544 172287830 /nfs/dbraw/zinc/28/78/30/172287830.db2.gz PQYUUDKMHAJQML-CABCVRRESA-N 1 0 267.344 3.054 10 0 CGAERO CC[NH2+][C@@H](C)c1ccccc1NC(=O)C1CCCC1 ZINC000035643853 172321454 /nfs/dbraw/zinc/32/14/54/172321454.db2.gz PVQZQNLWLUMSTL-LBPRGKRZSA-N 1 0 260.381 3.486 10 0 CGAERO CC[NH2+][C@H](C)c1ccccc1NC(=O)NC(C)(C)C ZINC000035645822 172323008 /nfs/dbraw/zinc/32/30/08/172323008.db2.gz GSCIQIRDSUFDOM-LLVKDONJSA-N 1 0 263.385 3.277 10 0 CGAERO NC(=[NH2+])c1ccc(Sc2cc(F)ccc2F)cc1 ZINC000035676309 172346585 /nfs/dbraw/zinc/34/65/85/172346585.db2.gz QKCSHKHRQDVCLJ-UHFFFAOYSA-N 1 0 264.300 3.400 10 0 CGAERO C[C@H]1CCC[C@](C[NH3+])(N(C)Cc2ccsc2)C1 ZINC000035719094 172373382 /nfs/dbraw/zinc/37/33/82/172373382.db2.gz QSWALIJOQCYCQK-JSGCOSHPSA-N 1 0 252.427 3.088 10 0 CGAERO [NH3+]Cc1cccnc1Sc1ccc(Cl)cc1 ZINC000035719990 172374922 /nfs/dbraw/zinc/37/49/22/172374922.db2.gz RMNDMFXUMUWHKH-UHFFFAOYSA-N 1 0 250.754 3.345 10 0 CGAERO [NH3+]C[C@H]1CCCC[C@@H]1Sc1nc2ccccc2[nH]1 ZINC000035723679 172378655 /nfs/dbraw/zinc/37/86/55/172378655.db2.gz PLTNTMOHAKOOQU-MFKMUULPSA-N 1 0 261.394 3.173 10 0 CGAERO Cc1csc(SCc2cc(C[NH3+])ccc2F)n1 ZINC000035724616 172379726 /nfs/dbraw/zinc/37/97/26/172379726.db2.gz KGGGIISVWGKMSR-UHFFFAOYSA-N 1 0 268.382 3.342 10 0 CGAERO Cc1csc(S[C@@H]2C[C@H](C)CC[C@@H]2C[NH3+])n1 ZINC000035724650 172379952 /nfs/dbraw/zinc/37/99/52/172379952.db2.gz CEDKBAKAXVOSJV-FBIMIBRVSA-N 1 0 256.440 3.307 10 0 CGAERO [NH3+]Cc1cccc(COc2cccc(Br)c2)c1 ZINC000035726561 172380775 /nfs/dbraw/zinc/38/07/75/172380775.db2.gz BUJPRDZQDISRRP-UHFFFAOYSA-N 1 0 292.176 3.487 10 0 CGAERO C[C@H](C[NH3+])c1nc(-c2ccc3c(c2)OCCCO3)cs1 ZINC000036177693 172496461 /nfs/dbraw/zinc/49/64/61/172496461.db2.gz WKOULFLWSPZQRR-SNVBAGLBSA-N 1 0 290.388 3.034 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)c1cccc(F)c1 ZINC000037167294 173001264 /nfs/dbraw/zinc/00/12/64/173001264.db2.gz CLFVZRHTXUUYII-CZUORRHYSA-N 1 0 266.404 3.453 10 0 CGAERO [NH3+]C[C@H](Oc1ccc2ccccc2c1)C(F)(F)F ZINC000037170003 173004225 /nfs/dbraw/zinc/00/42/25/173004225.db2.gz QRDAFTNTGPYDCZ-LBPRGKRZSA-N 1 0 255.239 3.108 10 0 CGAERO CN([C@H](C[NH3+])c1cc(F)ccc1F)C1CCCCC1 ZINC000037233481 173052569 /nfs/dbraw/zinc/05/25/69/173052569.db2.gz HNWJAXNDINAUSN-OAHLLOKOSA-N 1 0 268.351 3.229 10 0 CGAERO c1ccc2c(c1)CC[N@@H+](Cc1ccc3c(c1)CCN3)C2 ZINC000037323422 173124293 /nfs/dbraw/zinc/12/42/93/173124293.db2.gz JATZDNANMZBLCF-UHFFFAOYSA-N 1 0 264.372 3.213 10 0 CGAERO Cc1ccc([C@@H]([NH3+])c2ccc3c(c2)CCCC(=O)N3)cc1 ZINC000037371301 173160693 /nfs/dbraw/zinc/16/06/93/173160693.db2.gz KPRCUWRYNROJRD-GOSISDBHSA-N 1 0 280.371 3.318 10 0 CGAERO CCC[C@H](C)[C@H]([NH3+])c1ccc2c(c1)CCCC(=O)N2 ZINC000037371329 173160709 /nfs/dbraw/zinc/16/07/09/173160709.db2.gz TUKLMBBZPZGZEN-ZBEGNZNMSA-N 1 0 260.381 3.397 10 0 CGAERO CC(C)n1c(C[C@@H](C)[NH3+])nc2cccc(Cl)c21 ZINC000037444269 173211858 /nfs/dbraw/zinc/21/18/58/173211858.db2.gz VOBGKMPKXABBCR-SECBINFHSA-N 1 0 251.761 3.160 10 0 CGAERO CC[C@@H]([NH3+])Cc1ccc(OCc2cscn2)cc1 ZINC000037724079 173642857 /nfs/dbraw/zinc/64/28/57/173642857.db2.gz YJJQRPWFPDQDKH-GFCCVEGCSA-N 1 0 262.378 3.002 10 0 CGAERO CCCOc1c(C[C@H]([NH3+])CC)cccc1OCC ZINC000037728618 173648223 /nfs/dbraw/zinc/64/82/23/173648223.db2.gz LWYYGSAKLMEXIK-CYBMUJFWSA-N 1 0 251.370 3.154 10 0 CGAERO CCOc1cc(C[C@H]([NH3+])CC)ccc1OCC(F)F ZINC000037756449 173679428 /nfs/dbraw/zinc/67/94/28/173679428.db2.gz PPTLSZQUYNVDLY-LLVKDONJSA-N 1 0 273.323 3.009 10 0 CGAERO CCC[NH2+][C@H](C)[C@@H](C)Cc1ncc(C)c(OC)c1C ZINC000037949712 173889881 /nfs/dbraw/zinc/88/98/81/173889881.db2.gz XKVQDXGVRNRSIM-SMDDNHRTSA-N 1 0 264.413 3.274 10 0 CGAERO Cc1noc(C[NH2+][C@H](C)CC(C)(C)c2ccccc2)n1 ZINC000038034099 174032480 /nfs/dbraw/zinc/03/24/80/174032480.db2.gz KPMNFLPURSXCIA-GFCCVEGCSA-N 1 0 273.380 3.224 10 0 CGAERO C[NH2+]Cc1cc(-c2cccc(OC)c2)ccc1OC ZINC000038071502 174082062 /nfs/dbraw/zinc/08/20/62/174082062.db2.gz HCLFIZZVWYCPRF-UHFFFAOYSA-N 1 0 257.333 3.090 10 0 CGAERO Clc1ccccc1-c1c[nH]c(CC2CC[NH2+]CC2)n1 ZINC000038076140 174086575 /nfs/dbraw/zinc/08/65/75/174086575.db2.gz OECKCINDDRYKFH-UHFFFAOYSA-N 1 0 275.783 3.272 10 0 CGAERO [NH3+][C@H]1CN(Cc2ccc(F)cc2)c2ccc(Cl)cc21 ZINC000039941596 174175766 /nfs/dbraw/zinc/17/57/66/174175766.db2.gz DPJNLOCDEJCENV-AWEZNQCLSA-N 1 0 276.742 3.499 10 0 CGAERO CCOCCCn1c2ccccc2nc1[C@@H]([NH3+])C(C)C ZINC000040163876 174196795 /nfs/dbraw/zinc/19/67/95/174196795.db2.gz HQFKREOOMVQKLA-HNNXBMFYSA-N 1 0 275.396 3.119 10 0 CGAERO Cc1ccc(C(=O)NCC[NH2+]C2CCCCCC2)cc1C ZINC000127497354 287289164 /nfs/dbraw/zinc/28/91/64/287289164.db2.gz DFZMUOXBKOWEOI-UHFFFAOYSA-N 1 0 288.435 3.346 10 0 CGAERO [NH3+]CCCc1nc2ccc(Cl)cc2n1Cc1ccco1 ZINC000040410172 174254661 /nfs/dbraw/zinc/25/46/61/174254661.db2.gz LGHKRBUGMRTHGE-UHFFFAOYSA-N 1 0 289.766 3.222 10 0 CGAERO Cc1cc(Oc2cccc([C@@H]([NH3+])C(C)C)c2)ncn1 ZINC000040542923 174323592 /nfs/dbraw/zinc/32/35/92/174323592.db2.gz GEGMKQRLXRAPIT-HNNXBMFYSA-N 1 0 257.337 3.233 10 0 CGAERO [NH3+][C@H]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000042397793 174709359 /nfs/dbraw/zinc/70/93/59/174709359.db2.gz BMQARNAPCSZNJB-PWSUYJOCSA-N 1 0 254.171 3.119 10 0 CGAERO CCCO[C@H]1CCC[N@@H+]([C@@H](C)c2cccc(N)c2)C1 ZINC000042408437 174713988 /nfs/dbraw/zinc/71/39/88/174713988.db2.gz MVZTTYHYQPUGLO-BBRMVZONSA-N 1 0 262.397 3.221 10 0 CGAERO COc1ccccc1[C@H](N)C[N@H+](CC(C)C)C(C)C ZINC000042581739 174805792 /nfs/dbraw/zinc/80/57/92/174805792.db2.gz KPZKRNWZPRSMGN-OAHLLOKOSA-N 1 0 264.413 3.061 10 0 CGAERO CCCCOCCO[C@H](c1ccc(C)cc1)[C@@H](C)[NH3+] ZINC000042911361 174910536 /nfs/dbraw/zinc/91/05/36/174910536.db2.gz JAIOUUKWQVGQQI-ZBFHGGJFSA-N 1 0 265.397 3.217 10 0 CGAERO CC[C@@H]([NH3+])[C@H](Sc1nc[nH]n1)c1ccc(Cl)cc1 ZINC000042950074 174923157 /nfs/dbraw/zinc/92/31/57/174923157.db2.gz BFWCBHZXYFTUSL-GHMZBOCLSA-N 1 0 282.800 3.029 10 0 CGAERO CC[C@@H]([NH3+])[C@@H](OCCOC(C)C)c1cccc(C)c1 ZINC000042968547 174932584 /nfs/dbraw/zinc/93/25/84/174932584.db2.gz ASWRVATZOGTHIU-CVEARBPZSA-N 1 0 265.397 3.215 10 0 CGAERO C[C@H]([NH3+])[C@@H](c1cccc(F)c1)N(C)Cc1cccs1 ZINC000042971516 174934822 /nfs/dbraw/zinc/93/48/22/174934822.db2.gz VCPSXBGAAMJWAK-NHYWBVRUSA-N 1 0 278.396 3.408 10 0 CGAERO CCN(CC(F)(F)F)[C@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042973080 174936842 /nfs/dbraw/zinc/93/68/42/174936842.db2.gz UHTDHRNLIBYPHU-SKDRFNHKSA-N 1 0 278.293 3.098 10 0 CGAERO CC[C@@H]([NH3+])[C@@H](OCC(F)(F)F)c1cccc(F)c1 ZINC000042973318 174937347 /nfs/dbraw/zinc/93/73/47/174937347.db2.gz YCDJRVSBUXXWQI-MNOVXSKESA-N 1 0 265.250 3.183 10 0 CGAERO CCCCOCCO[C@H](c1ccccc1F)[C@@H](C)[NH3+] ZINC000043048123 174957580 /nfs/dbraw/zinc/95/75/80/174957580.db2.gz YGXRPEBOFSYCDF-DOMZBBRYSA-N 1 0 269.360 3.047 10 0 CGAERO COc1ccc(O[C@H](c2cccs2)[C@H](C)[NH3+])cc1 ZINC000043108748 174973730 /nfs/dbraw/zinc/97/37/30/174973730.db2.gz MSNLJNFAEBQRCZ-HZMBPMFUSA-N 1 0 263.362 3.224 10 0 CGAERO CN(Cc1ccccc1)C[C@@H]1[NH2+]CCc2ccccc21 ZINC000043595933 175077030 /nfs/dbraw/zinc/07/70/30/175077030.db2.gz BQXDWEXDYXIOOY-SFHVURJKSA-N 1 0 266.388 3.005 10 0 CGAERO [NH3+][C@@H]1CCC[C@@H]1Cc1cc(Br)cs1 ZINC000043688100 175095257 /nfs/dbraw/zinc/09/52/57/175095257.db2.gz AEXJWCGQLOTXDW-GMSGAONNSA-N 1 0 260.200 3.181 10 0 CGAERO CCOc1ccc([C@@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000044121708 175143225 /nfs/dbraw/zinc/14/32/25/175143225.db2.gz YIUZBTZEXISHHP-ZQIUZPCESA-N 1 0 277.408 3.382 10 0 CGAERO Cc1ccc([C@@H]2C[C@@H]([NH3+])CN(C(=O)OC(C)(C)C)C2)cc1 ZINC000044136151 175146123 /nfs/dbraw/zinc/14/61/23/175146123.db2.gz UCLYVEOFKUIMIG-HUUCEWRRSA-N 1 0 290.407 3.047 10 0 CGAERO COc1ccccc1[C@H](O)C[NH+](CC(C)C)CC(C)C ZINC000044162856 175147929 /nfs/dbraw/zinc/14/79/29/175147929.db2.gz USPCMEQQGAKJAY-MRXNPFEDSA-N 1 0 279.424 3.343 10 0 CGAERO CC(C)n1cc(C[NH2+]C[C@H]2CCCO2)c2ccccc21 ZINC000045945109 175388173 /nfs/dbraw/zinc/38/81/73/175388173.db2.gz HVZBWVMQJALFAE-OAHLLOKOSA-N 1 0 272.392 3.491 10 0 CGAERO [NH2+]=C(Cc1ccc(Br)cc1)N1CCCC1 ZINC000059924896 175635135 /nfs/dbraw/zinc/63/51/35/175635135.db2.gz BYNYWYHRMCMZEW-UHFFFAOYSA-N 1 0 267.170 3.065 10 0 CGAERO CC(C)C[N@H+](Cc1ccc(F)cc1C(N)=S)C1CC1 ZINC000071266093 176100235 /nfs/dbraw/zinc/10/02/35/176100235.db2.gz DEGKLFRNLFBSCW-UHFFFAOYSA-N 1 0 280.412 3.080 10 0 CGAERO COc1ccc([C@@H](C)OCC[NH3+])cc1C(C)(C)C ZINC000071573434 176200038 /nfs/dbraw/zinc/20/00/38/176200038.db2.gz UBELKTRNFUEVLY-LLVKDONJSA-N 1 0 251.370 3.029 10 0 CGAERO O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCCC[NH2+]1 ZINC000071577888 176206885 /nfs/dbraw/zinc/20/68/85/176206885.db2.gz OQRDCDYMJUJXKB-NSHDSACASA-N 1 0 257.255 3.030 10 0 CGAERO Cc1cc([C@H](O)[C@H](C)[NH2+]C(C)C)ccc1OC(C)C ZINC000071598054 176221629 /nfs/dbraw/zinc/22/16/29/176221629.db2.gz BQHMIXXWBFMATN-XJKSGUPXSA-N 1 0 265.397 3.202 10 0 CGAERO COc1cc2c(cc1OC)C1(CC1)C[NH2+][C@@H]2CC(C)C ZINC000071616415 176235183 /nfs/dbraw/zinc/23/51/83/176235183.db2.gz HHVXCYVQFWGZHY-CQSZACIVSA-N 1 0 275.392 3.426 10 0 CGAERO COc1cc(Cl)c([C@H](O)[C@H]2CCC[NH2+]C2)cc1Cl ZINC000071646292 176239983 /nfs/dbraw/zinc/23/99/83/176239983.db2.gz LVWGOJYXLCWLMI-ISVAXAHUSA-N 1 0 290.190 3.035 10 0 CGAERO OCCCC[N@@H+]1CCC[C@H](CCc2ccccc2F)C1 ZINC000072162410 176330050 /nfs/dbraw/zinc/33/00/50/176330050.db2.gz PQLDVNRUYMCKIV-OAHLLOKOSA-N 1 0 279.399 3.243 10 0 CGAERO CC(C)[NH2+]CC(=O)Nc1ccc(SC(C)C)cc1 ZINC000076375253 177010594 /nfs/dbraw/zinc/01/05/94/177010594.db2.gz AXYDJXQUBLGPNU-UHFFFAOYSA-N 1 0 266.410 3.124 10 0 CGAERO [NH3+]CC1(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000076542261 177036004 /nfs/dbraw/zinc/03/60/04/177036004.db2.gz YRZAUAGAANMNGY-UHFFFAOYSA-N 1 0 292.688 3.036 10 0 CGAERO Cc1ccc(Cl)cc1N(CC[NH3+])CCC(C)C ZINC000076659180 177047435 /nfs/dbraw/zinc/04/74/35/177047435.db2.gz GDQHHOGMMSAGCR-UHFFFAOYSA-N 1 0 254.805 3.460 10 0 CGAERO CC[C@H](CCC[NH3+])C(=O)Nc1ccccc1Cl ZINC000076658963 177047905 /nfs/dbraw/zinc/04/79/05/177047905.db2.gz URKCKSVFGZFSLM-SNVBAGLBSA-N 1 0 254.761 3.044 10 0 CGAERO COc1ccc(C[C@@H](CC[NH3+])c2ccccc2)cc1 ZINC000076660461 177048625 /nfs/dbraw/zinc/04/86/25/177048625.db2.gz TUNBEXVAKQDECN-MRXNPFEDSA-N 1 0 255.361 3.370 10 0 CGAERO [NH3+]CC[C@H](CCc1cccc(F)c1)c1ccncc1 ZINC000076666314 177051194 /nfs/dbraw/zinc/05/11/94/177051194.db2.gz RAFVAMKJEJFZGA-AWEZNQCLSA-N 1 0 258.340 3.286 10 0 CGAERO CCCN(CC[NH3+])Cc1ccc(Cl)c(Cl)c1 ZINC000076671762 177053648 /nfs/dbraw/zinc/05/36/48/177053648.db2.gz OGQSMDXFQOWDEI-UHFFFAOYSA-N 1 0 261.196 3.164 10 0 CGAERO C[C@@H](CCC[NH3+])C(=O)Nc1ccccc1C(C)(C)C ZINC000076675905 177056001 /nfs/dbraw/zinc/05/60/01/177056001.db2.gz BXPIGXRBTVVEGD-LBPRGKRZSA-N 1 0 262.397 3.298 10 0 CGAERO Cc1cc(C)cc(NC(=O)[C@H](CCC[NH3+])C(C)C)c1 ZINC000076675872 177056038 /nfs/dbraw/zinc/05/60/38/177056038.db2.gz FFTUUZPYLVELJW-OAHLLOKOSA-N 1 0 262.397 3.253 10 0 CGAERO [NH3+]CC[C@H](COc1cccc(Cl)c1)c1ccc[nH]1 ZINC000076680592 177058417 /nfs/dbraw/zinc/05/84/17/177058417.db2.gz VJKKACGYJDERBN-LLVKDONJSA-N 1 0 264.756 3.180 10 0 CGAERO C[NH2+][C@H](C)c1csc(Cc2ccccc2F)n1 ZINC000076784765 177092209 /nfs/dbraw/zinc/09/22/09/177092209.db2.gz GRJHELQJUFBYID-SECBINFHSA-N 1 0 250.342 3.153 10 0 CGAERO CC[C@H](C[NH3+])CC(=O)Nc1ccc(Br)cc1C ZINC000076870197 177125549 /nfs/dbraw/zinc/12/55/49/177125549.db2.gz GJFAAECPSIBLEM-JTQLQIEISA-N 1 0 299.212 3.071 10 0 CGAERO [NH3+]C1CCC(c2nc(-c3ccccc3Cl)no2)CC1 ZINC000050438556 416477832 /nfs/dbraw/zinc/47/78/32/416477832.db2.gz PEMRPUJCOWCQGJ-UHFFFAOYSA-N 1 0 277.755 3.375 10 0 CGAERO Cc1cnc([C@@H](C)[NH2+][C@H](C)Cc2cccs2)o1 ZINC000681082386 543763838 /nfs/dbraw/zinc/76/38/38/543763838.db2.gz NBIYCQKSEPUFJM-MWLCHTKSSA-N 1 0 250.367 3.326 10 0 CGAERO COC1(OC)CC[C@H](C2CCCCC2)C[C@@H]1CC[NH3+] ZINC000725261684 544113781 /nfs/dbraw/zinc/11/37/81/544113781.db2.gz BTQDNHCRKRZWQY-GJZGRUSLSA-N 1 0 269.429 3.321 10 0 CGAERO CC(C)(C)NC(=O)CC[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000134508917 287446327 /nfs/dbraw/zinc/44/63/27/287446327.db2.gz PCZKCLXHGOWZTJ-KGLIPLIRSA-N 1 0 282.472 3.486 10 0 CGAERO CCNC(=O)CC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000135397874 287469173 /nfs/dbraw/zinc/46/91/73/287469173.db2.gz INNUWNMDTYVWRM-CYBMUJFWSA-N 1 0 276.424 3.161 10 0 CGAERO C[C@H]([NH2+]C1CC(CO)C1)c1cc(Cl)ccc1Cl ZINC000658350126 418945346 /nfs/dbraw/zinc/94/53/46/418945346.db2.gz BLAUJYQMYVZNRT-SILCLGDVSA-N 1 0 274.191 3.415 10 0 CGAERO OCC1CC([NH2+][C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000658350729 418946572 /nfs/dbraw/zinc/94/65/72/418946572.db2.gz HLXKEYNZZWJSGA-QEIKUCIBSA-N 1 0 283.824 3.237 10 0 CGAERO CC[N@@H+](Cc1ccc(C)cc1)C[C@H]1CCC[C@@H](O)C1 ZINC000659856679 419015160 /nfs/dbraw/zinc/01/51/60/419015160.db2.gz GOVKMCKVBCNBPH-DLBZAZTESA-N 1 0 261.409 3.368 10 0 CGAERO C[C@@H]1CC[C@H]([NH2+][C@@H](CN(C)C)c2ccccc2)CS1 ZINC000655695594 419067177 /nfs/dbraw/zinc/06/71/77/419067177.db2.gz NUUFUKSTGVMNPH-KBMXLJTQSA-N 1 0 278.465 3.163 10 0 CGAERO Cc1nc([C@H](C)[NH2+][C@@H]2CC[C@H](C)SC2)cs1 ZINC000655710668 419073036 /nfs/dbraw/zinc/07/30/36/419073036.db2.gz DEPKRENZBNTASP-ATZCPNFKSA-N 1 0 256.440 3.386 10 0 CGAERO Cc1cc2ccccc2nc1NCC1([NH3+])CCCC1 ZINC000656610430 419186279 /nfs/dbraw/zinc/18/62/79/419186279.db2.gz FRYDMDTXAGTKKN-UHFFFAOYSA-N 1 0 255.365 3.227 10 0 CGAERO Cc1ccc([C@H](C)[NH2+]Cc2cnc3n2CCC3)c(C)c1 ZINC000657317292 419249429 /nfs/dbraw/zinc/24/94/29/419249429.db2.gz BJMHXNNCRIJMEB-AWEZNQCLSA-N 1 0 269.392 3.297 10 0 CGAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1cncc(Br)c1 ZINC000657833048 419379844 /nfs/dbraw/zinc/37/98/44/419379844.db2.gz DAPHEKQRFIOPLE-KWBADKCTSA-N 1 0 299.212 3.062 10 0 CGAERO COC[C@H](CC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C)OC ZINC000658086566 419553942 /nfs/dbraw/zinc/55/39/42/419553942.db2.gz WEJOOJUXPFUNIX-FXUDXRNXSA-N 1 0 271.445 3.088 10 0 CGAERO Cc1ccc(C[NH2+][C@@H]2COc3ccccc32)cc1F ZINC000070078830 260151306 /nfs/dbraw/zinc/15/13/06/260151306.db2.gz LEWBHSRWHYTBPO-OAHLLOKOSA-N 1 0 257.308 3.357 10 0 CGAERO CCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000035018865 270027753 /nfs/dbraw/zinc/02/77/53/270027753.db2.gz SLIWQONKTICQLJ-ZIAGYGMSSA-N 1 0 284.403 3.405 10 0 CGAERO CC(C)[C@@H](C)NC(=O)C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000042269383 270032212 /nfs/dbraw/zinc/03/22/12/270032212.db2.gz IPSPAPGKTCRKQG-NXEZZACHSA-N 1 0 288.844 3.213 10 0 CGAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H](C)C2)C12CCOCC2 ZINC000186271858 270065341 /nfs/dbraw/zinc/06/53/41/270065341.db2.gz RRQFEGBQRFDNCL-VVLHAWIVSA-N 1 0 295.467 3.377 10 0 CGAERO Cc1oncc1C[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000189911754 270072359 /nfs/dbraw/zinc/07/23/59/270072359.db2.gz APCJTUZRHLNKAJ-GFCCVEGCSA-N 1 0 282.347 3.020 10 0 CGAERO CCN1CCC[C@H]([NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC000250268265 270091362 /nfs/dbraw/zinc/09/13/62/270091362.db2.gz KUIMXQBVHVBNSM-CVEARBPZSA-N 1 0 260.425 3.438 10 0 CGAERO COC(=O)[C@@H]1CCCC[N@@H+]1CC/C=C\c1ccccc1 ZINC000323702190 270094360 /nfs/dbraw/zinc/09/43/60/270094360.db2.gz KZPWOXDPSPDCKY-XKGFZTIGSA-N 1 0 273.376 3.117 10 0 CGAERO CSc1ccc(N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000520793645 270099044 /nfs/dbraw/zinc/09/90/44/270099044.db2.gz DJSCQZIELOBACS-RYUDHWBXSA-N 1 0 250.411 3.209 10 0 CGAERO CC1(C)CC(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)C1 ZINC000528496720 270166636 /nfs/dbraw/zinc/16/66/36/270166636.db2.gz ZDAIOMISPMBZCS-XHSDSOJGSA-N 1 0 265.441 3.438 10 0 CGAERO CC(C)(C)[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000089452423 273502065 /nfs/dbraw/zinc/50/20/65/273502065.db2.gz RISWYOIZGHCMNB-BZUAXINKSA-N 1 0 288.435 3.265 10 0 CGAERO COc1cccc2c1C[C@@H]([NH2+]Cc1ccccc1)CC2 ZINC000028865408 274153876 /nfs/dbraw/zinc/15/38/76/274153876.db2.gz HAYFJPWCPAZXME-INIZCTEOSA-N 1 0 267.372 3.342 10 0 CGAERO C[C@@H](c1ccc(O)cc1)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032455 274276241 /nfs/dbraw/zinc/27/62/41/274276241.db2.gz FOSDSMPLJLGLEN-LBPRGKRZSA-N 1 0 268.360 3.094 10 0 CGAERO Cc1nc(C)c([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@@H]2O)s1 ZINC000178358752 274838059 /nfs/dbraw/zinc/83/80/59/274838059.db2.gz XBKSMEPXCNSEEU-VQISRLSMSA-N 1 0 288.416 3.069 10 0 CGAERO CCCC[C@H](C[NH3+])NC(=O)[C@@H](c1ccccc1)[C@H](C)CC ZINC000251361435 287833243 /nfs/dbraw/zinc/83/32/43/287833243.db2.gz PHCGZCJJMBSIAS-DJIMGWMZSA-N 1 0 290.451 3.450 10 0 CGAERO CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ccccc3C2)CCO1 ZINC000251341146 287833248 /nfs/dbraw/zinc/83/32/48/287833248.db2.gz QEYVILWJMRTCEV-BZSNNMDCSA-N 1 0 273.420 3.337 10 0 CGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000252730666 287843637 /nfs/dbraw/zinc/84/36/37/287843637.db2.gz MIHQJOKKXWVUEI-DGXTUMSLSA-N 1 0 253.430 3.340 10 0 CGAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2N(C)C)C1 ZINC000133057522 276178930 /nfs/dbraw/zinc/17/89/30/276178930.db2.gz OZDCAJVBKBOBPB-ZFWWWQNUSA-N 1 0 293.430 3.027 10 0 CGAERO CCCn1c(C[NH2+][C@H](C)[C@@H]2CCCO2)nc2ccccc21 ZINC000038046710 276297111 /nfs/dbraw/zinc/29/71/11/276297111.db2.gz GHYRARPCMUYCJE-CJNGLKHVSA-N 1 0 287.407 3.103 10 0 CGAERO CC[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccsc1 ZINC000294396634 276585495 /nfs/dbraw/zinc/58/54/95/276585495.db2.gz KOWJURLFWVTPHE-UBHSHLNASA-N 1 0 253.411 3.340 10 0 CGAERO CC[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1ccc(Cl)cc1 ZINC000282283931 276640733 /nfs/dbraw/zinc/64/07/33/276640733.db2.gz IIZIYOYTPDDLTI-SWHYSGLUSA-N 1 0 280.799 3.048 10 0 CGAERO CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H]1CCCC[C@@H]1[NH3+] ZINC000093492721 277182903 /nfs/dbraw/zinc/18/29/03/277182903.db2.gz JZPMFGVTNULNBY-RDBSUJKOSA-N 1 0 282.428 3.294 10 0 CGAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC000392936064 287996949 /nfs/dbraw/zinc/99/69/49/287996949.db2.gz MRUNNWDFGPOPIQ-XSCHDIRWSA-N 1 0 280.456 3.096 10 0 CGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CC(C)(C)Oc3ccccc32)CCO1 ZINC000222800079 278028035 /nfs/dbraw/zinc/02/80/35/278028035.db2.gz TUVPUBOESQQUFL-UMVBOHGHSA-N 1 0 275.392 3.446 10 0 CGAERO CC(C)c1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@@H]2C)cc1 ZINC000282049004 278048978 /nfs/dbraw/zinc/04/89/78/278048978.db2.gz AZCOPVVGSYYPNE-WOSRLPQWSA-N 1 0 274.408 3.128 10 0 CGAERO C[C@H](N[C@@H]1CCC[NH2+][C@H]1C)c1ccccc1OC(F)F ZINC000396581090 288014422 /nfs/dbraw/zinc/01/44/22/288014422.db2.gz PGUIDROWRALLTP-GMXVVIOVSA-N 1 0 284.350 3.079 10 0 CGAERO C[C@H](N[C@@H]1CCC[NH2+][C@@H]1C)c1cccc(Br)c1 ZINC000396636414 288014667 /nfs/dbraw/zinc/01/46/67/288014667.db2.gz NRVNHCUWBFBPGG-MISXGVKJSA-N 1 0 297.240 3.240 10 0 CGAERO Cc1ccc(Br)cc1C[N@H+]1C[C@H](O)CC[C@@H]1C ZINC000399308226 288050932 /nfs/dbraw/zinc/05/09/32/288050932.db2.gz AMEUALDIGSARCO-SMDDNHRTSA-N 1 0 298.224 3.103 10 0 CGAERO CC(C)[C@@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[C@H](C)[NH3+] ZINC000399708039 288053614 /nfs/dbraw/zinc/05/36/14/288053614.db2.gz FDOKECAVVWTLGP-COPLHBTASA-N 1 0 282.815 3.137 10 0 CGAERO CC(C)[C@H](C(=O)N[C@@H](C)c1cccc(Cl)c1)[C@@H](C)[NH3+] ZINC000399700731 288053626 /nfs/dbraw/zinc/05/36/26/288053626.db2.gz CCTUSBUQLZDHJQ-SUNKGSAMSA-N 1 0 282.815 3.137 10 0 CGAERO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1ccc(OC)cc1 ZINC000247924806 288066268 /nfs/dbraw/zinc/06/62/68/288066268.db2.gz BMPGKBNQJDSFOW-BHYGNILZSA-N 1 0 277.408 3.287 10 0 CGAERO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCO1)c1cccc(F)c1 ZINC000166442534 288079423 /nfs/dbraw/zinc/07/94/23/288079423.db2.gz SBBCFWBOEOVIPN-UGFHNGPFSA-N 1 0 251.345 3.434 10 0 CGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC1CCC(F)(F)CC1 ZINC000459371449 288084835 /nfs/dbraw/zinc/08/48/35/288084835.db2.gz SUNSAGIQSRIFCM-HUUCEWRRSA-N 1 0 286.410 3.371 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000274937693 279133709 /nfs/dbraw/zinc/13/37/09/279133709.db2.gz SHEMGXUNPPCORI-TZMCWYRMSA-N 1 0 283.847 3.362 10 0 CGAERO C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000247582567 279191490 /nfs/dbraw/zinc/19/14/90/279191490.db2.gz YXMCEQAJBCIWPD-CABCVRRESA-N 1 0 290.407 3.208 10 0 CGAERO CC1(C)Cc2occc2[C@H]([NH2+][C@@H]2CCCC[C@H]2CO)C1 ZINC000248145349 281377257 /nfs/dbraw/zinc/37/72/57/281377257.db2.gz QCJISYMFECVDRS-NWANDNLSSA-N 1 0 277.408 3.434 10 0 CGAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)N(C(C)C)C(C)C ZINC000102683574 292680137 /nfs/dbraw/zinc/68/01/37/292680137.db2.gz AYXFJPXQUIVGTQ-HNNXBMFYSA-N 1 0 276.424 3.291 10 0 CGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC000542775505 288770886 /nfs/dbraw/zinc/77/08/86/288770886.db2.gz MQLKAYQTYHHBMS-VNQPRFMTSA-N 1 0 280.456 3.096 10 0 CGAERO C[C@H](N[C@@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1Br ZINC000358391715 290026954 /nfs/dbraw/zinc/02/69/54/290026954.db2.gz FKIXUAUHNOZFJQ-COPLHBTASA-N 1 0 297.240 3.050 10 0 CGAERO Cn1cccc1[C@H]1CCCCN1CCC[NH+]1CCCC1 ZINC000163211442 294393587 /nfs/dbraw/zinc/39/35/87/294393587.db2.gz CYCHGVYFSCFMFQ-QGZVFWFLSA-N 1 0 275.440 3.038 10 0 CGAERO Fc1cccc(Cl)c1C[C@H]1COCC[C@@H]1[NH2+]C1CC1 ZINC000095077077 294759863 /nfs/dbraw/zinc/75/98/63/294759863.db2.gz HVHOGOQBRCGIHT-BONVTDFDSA-N 1 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/nfs/dbraw/zinc/79/39/71/321793971.db2.gz KJBCAEFFYGFKMG-KBPBESRZSA-N 1 0 276.424 3.339 10 0 CGAERO C[C@H](CC[NH2+][C@@H]1CCC1(C)C)NC(=O)OC(C)(C)C ZINC000381502555 327540448 /nfs/dbraw/zinc/54/04/48/327540448.db2.gz HMKILKAGLVEECM-VXGBXAGGSA-N 1 0 270.417 3.068 10 0 CGAERO CCC1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000174143043 335149110 /nfs/dbraw/zinc/14/91/10/335149110.db2.gz CWACYCOUVUMTTA-PRLABOORSA-N 1 0 295.471 3.079 10 0 CGAERO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000194457833 336025090 /nfs/dbraw/zinc/02/50/90/336025090.db2.gz PHXGNXYSLUWUFU-AJNGGQMLSA-N 1 0 276.424 3.277 10 0 CGAERO C[C@H]([NH2+]CC(C)(C)C(F)(F)F)c1cscn1 ZINC000381446327 336064070 /nfs/dbraw/zinc/06/40/70/336064070.db2.gz FWDXIOBLLZJUMU-ZETCQYMHSA-N 1 0 252.305 3.382 10 0 CGAERO Cc1cccc([C@@H](C)[NH2+]Cc2cnn(CC(F)F)c2)c1 ZINC000383846666 336118523 /nfs/dbraw/zinc/11/85/23/336118523.db2.gz VJFLCJYFHVIHDJ-GFCCVEGCSA-N 1 0 279.334 3.307 10 0 CGAERO CCN(Cc1ccccc1Cl)C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000384248323 336122787 /nfs/dbraw/zinc/12/27/87/336122787.db2.gz LCGKKHZTWGFEEP-JSGCOSHPSA-N 1 0 294.826 3.077 10 0 CGAERO CC(C)[NH2+]C[C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000054664805 519726349 /nfs/dbraw/zinc/72/63/49/519726349.db2.gz VFHDVIMOYWOCQS-OAHLLOKOSA-N 1 0 267.800 3.287 10 0 CGAERO CC(C)C[NH2+]C[C@@H]1CCCCN1Cc1ccsc1 ZINC000053653132 519745062 /nfs/dbraw/zinc/74/50/62/519745062.db2.gz WCQZKFQVONVVKK-HNNXBMFYSA-N 1 0 266.454 3.348 10 0 CGAERO CCC[NH2+]C[C@@H](C)Oc1ccc(C(F)(F)F)cc1 ZINC000052599805 519921416 /nfs/dbraw/zinc/92/14/16/519921416.db2.gz UIIWJVYUPWNGNB-SNVBAGLBSA-N 1 0 261.287 3.472 10 0 CGAERO CC[NH2+][C@H](C)c1nnc(-c2ccc(Br)cc2)o1 ZINC000050619056 520182044 /nfs/dbraw/zinc/18/20/44/520182044.db2.gz ULGABGIUEUOXOZ-MRVPVSSYSA-N 1 0 296.168 3.170 10 0 CGAERO CCNc1snnc1C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000050815634 520386819 /nfs/dbraw/zinc/38/68/19/520386819.db2.gz VTHNPXBIQUUHLT-ZDUSSCGKSA-N 1 0 280.441 3.125 10 0 CGAERO C[NH2+][C@@H](C)c1sc(N2CCCC2(C)C)nc1C ZINC000063074157 522339779 /nfs/dbraw/zinc/33/97/79/522339779.db2.gz RNTLMOWFNZOLAR-VIFPVBQESA-N 1 0 253.415 3.111 10 0 CGAERO CCc1nc(N2CCC(C)CC2)sc1C[NH2+]C(C)C ZINC000054995120 522383179 /nfs/dbraw/zinc/38/31/79/522383179.db2.gz YGBZVPKLFVUWDD-UHFFFAOYSA-N 1 0 281.469 3.440 10 0 CGAERO C[NH2+][C@H](C[C@H]1CCCO1)c1ccc(OC(C)C)cc1 ZINC000055263782 522471042 /nfs/dbraw/zinc/47/10/42/522471042.db2.gz AKCGVNZHEKERJI-HZPDHXFCSA-N 1 0 263.381 3.303 10 0 CGAERO Brc1ccc(CCC[NH2+]C2CC2)s1 ZINC000052949368 518210930 /nfs/dbraw/zinc/21/09/30/518210930.db2.gz LZBGBKNAFOZPDL-UHFFFAOYSA-N 1 0 260.200 3.195 10 0 CGAERO CC(C)C[C@@H]1C[N@H+](C(C)C)[C@H](Cc2ccccc2)CN1 ZINC000062668317 519272390 /nfs/dbraw/zinc/27/23/90/519272390.db2.gz LSRPNNXXHLRJSK-QZTJIDSGSA-N 1 0 274.452 3.326 10 0 CGAERO CC(C)C(=O)N1CCC([NH2+][C@H](C)CC2CCCC2)CC1 ZINC000156476217 519457793 /nfs/dbraw/zinc/45/77/93/519457793.db2.gz LJXUVQPMQOHVFJ-CQSZACIVSA-N 1 0 280.456 3.192 10 0 CGAERO CC(C)CN(CC[NH3+])c1ccccc1C(F)(F)F ZINC000053705566 519716955 /nfs/dbraw/zinc/71/69/55/519716955.db2.gz ZUVLXSBGWSQHRX-UHFFFAOYSA-N 1 0 260.303 3.127 10 0 CGAERO CC(C)[NH2+]Cc1cnc(N2CCCCCC2)s1 ZINC000054900717 519728499 /nfs/dbraw/zinc/72/84/99/519728499.db2.gz SSZCEYHUILJMQD-UHFFFAOYSA-N 1 0 253.415 3.022 10 0 CGAERO CC(C)C[NH2+]C[C@H](c1ccccc1)N1CCSCC1 ZINC000052443328 519745983 /nfs/dbraw/zinc/74/59/83/519745983.db2.gz JPLRLRSXGNMIKS-MRXNPFEDSA-N 1 0 278.465 3.022 10 0 CGAERO CC(C)C[NH2+]Cc1cnc(N2C[C@H](C)C[C@@H](C)C2)s1 ZINC000054899738 519748590 /nfs/dbraw/zinc/74/85/90/519748590.db2.gz YZLHJWSIDWEXGH-CHWSQXEVSA-N 1 0 281.469 3.371 10 0 CGAERO CC(C)OCCOCc1occc1C[NH2+]C(C)(C)C ZINC000052627248 519768829 /nfs/dbraw/zinc/76/88/29/519768829.db2.gz DBVBHIZPFLLABT-UHFFFAOYSA-N 1 0 269.385 3.109 10 0 CGAERO CC(C)C[C@@H](C)Oc1ccc(Cl)cc1C(N)=[NH2+] ZINC000052860299 519774262 /nfs/dbraw/zinc/77/42/62/519774262.db2.gz DJLAECGNPFHPAV-SECBINFHSA-N 1 0 254.761 3.437 10 0 CGAERO CC(C)[C@@H]1CN(Cc2ccccc2F)[C@H](C(C)C)C[NH2+]1 ZINC000062670861 519804571 /nfs/dbraw/zinc/80/45/71/519804571.db2.gz NKKTVQIQJJGWSK-IRXDYDNUSA-N 1 0 278.415 3.280 10 0 CGAERO CC(C)[C@H]1CN(Cc2ccccc2Cl)CCC[NH2+]1 ZINC000062663569 519826960 /nfs/dbraw/zinc/82/69/60/519826960.db2.gz FINSQQLKJGHXME-OAHLLOKOSA-N 1 0 266.816 3.160 10 0 CGAERO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@H](CC)C(C)C ZINC000054602446 519909508 /nfs/dbraw/zinc/90/95/08/519909508.db2.gz DTHGFOCQTHNIMQ-WTXIUTQJSA-N 1 0 252.446 3.416 10 0 CGAERO CCC[NH2+]CCCc1cc(Br)ccc1OC ZINC000052949237 519913989 /nfs/dbraw/zinc/91/39/89/519913989.db2.gz UAJZUTBEBKTDRO-UHFFFAOYSA-N 1 0 286.213 3.390 10 0 CGAERO CCC[NH2+]C[C@@]1(CCCc2ccccc2)CCOC1 ZINC000054664714 519930004 /nfs/dbraw/zinc/93/00/04/519930004.db2.gz FZRFXPWEHYSPRE-QGZVFWFLSA-N 1 0 261.409 3.416 10 0 CGAERO CCC[NH2+]C[C@]1(CCCc2ccccc2)CCOC1 ZINC000054664712 519940173 /nfs/dbraw/zinc/94/01/73/519940173.db2.gz FZRFXPWEHYSPRE-KRWDZBQOSA-N 1 0 261.409 3.416 10 0 CGAERO CCC[NH2+]Cc1ccccc1OCCO[C@@H](C)CC ZINC000052668950 519957288 /nfs/dbraw/zinc/95/72/88/519957288.db2.gz PBZSIMBCBFHXBC-AWEZNQCLSA-N 1 0 265.397 3.380 10 0 CGAERO CC[NH2+]C[C@H](CC)N(C)Cc1ccccc1Cl ZINC000052371901 519971597 /nfs/dbraw/zinc/97/15/97/519971597.db2.gz BFPPNEPEOFIYIW-ZDUSSCGKSA-N 1 0 254.805 3.160 10 0 CGAERO CCC[NH2+]Cc1sc(N2CCCC[C@H]2C)nc1C ZINC000054995287 519974543 /nfs/dbraw/zinc/97/45/43/519974543.db2.gz NQUWUXQRWIPPNX-LLVKDONJSA-N 1 0 267.442 3.330 10 0 CGAERO CC[NH2+]C[C@H]1CCN(c2ccc(Br)cc2C)C1 ZINC000053012011 519977980 /nfs/dbraw/zinc/97/79/80/519977980.db2.gz AHPBOTOZHVBBMP-GFCCVEGCSA-N 1 0 297.240 3.193 10 0 CGAERO CCC[NH2+][C@@H](Cc1ccsc1)[C@H]1CCCOC1 ZINC000062237217 520013993 /nfs/dbraw/zinc/01/39/93/520013993.db2.gz QMGGWRMEGQMKIL-KBPBESRZSA-N 1 0 253.411 3.085 10 0 CGAERO CCC[NH2+][C@@H]1CCN([C@@H](CC)c2cccs2)C1 ZINC000049530938 520025238 /nfs/dbraw/zinc/02/52/38/520025238.db2.gz DAFWPGOIJWFAOA-OLZOCXBDSA-N 1 0 252.427 3.273 10 0 CGAERO 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CCCOc1ccc([C@@H]([NH2+]C)c2ccccn2)cc1 ZINC000055263652 520417332 /nfs/dbraw/zinc/41/73/32/520417332.db2.gz LOFHPNKEHIEDFM-MRXNPFEDSA-N 1 0 256.349 3.179 10 0 CGAERO CCCCOCCC1(C[NH2+]CC(C)C)CCOCC1 ZINC000061674589 520744730 /nfs/dbraw/zinc/74/47/30/520744730.db2.gz XTMNASSTQABRMO-UHFFFAOYSA-N 1 0 271.445 3.236 10 0 CGAERO CCN(Cc1ccc(C[NH2+]C(C)C)o1)CC(F)(F)F ZINC000052503056 521304607 /nfs/dbraw/zinc/30/46/07/521304607.db2.gz IGZBNTKXRYCISL-UHFFFAOYSA-N 1 0 278.318 3.162 10 0 CGAERO CCCc1nc(N(CC)CC)sc1C[NH2+]CC ZINC000054995209 521531256 /nfs/dbraw/zinc/53/12/56/521531256.db2.gz SRVZZPYDNMUYLO-UHFFFAOYSA-N 1 0 255.431 3.051 10 0 CGAERO CCCc1nc(N2CCC[C@H](C)C2)sc1C[NH2+]CC ZINC000054995525 521532969 /nfs/dbraw/zinc/53/29/69/521532969.db2.gz RFOSQOVFQMTQMX-LBPRGKRZSA-N 1 0 281.469 3.441 10 0 CGAERO CCCN(CC)c1nc(C(C)(C)C)c(C[NH3+])s1 ZINC000054996674 521618344 /nfs/dbraw/zinc/61/83/44/521618344.db2.gz COQOQJHGTNSDIC-UHFFFAOYSA-N 1 0 255.431 3.136 10 0 CGAERO 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CC[C@H](C[NH2+]CCOC)Cc1ccc(F)cc1Cl ZINC000054663416 522193824 /nfs/dbraw/zinc/19/38/24/522193824.db2.gz JPPUTMMIJLIODS-NSHDSACASA-N 1 0 273.779 3.284 10 0 CGAERO C[NH2+][C@@H](COc1cccc(F)c1F)c1ccccc1 ZINC000062613998 522356955 /nfs/dbraw/zinc/35/69/55/522356955.db2.gz JASAQEULLXMUFR-ZDUSSCGKSA-N 1 0 263.287 3.304 10 0 CGAERO C[NH2+][C@@H](Cc1ccccn1)c1ccc(F)c(F)c1F ZINC000061838464 522361774 /nfs/dbraw/zinc/36/17/74/522361774.db2.gz LQTWPGUWWVCCBS-LBPRGKRZSA-N 1 0 266.266 3.002 10 0 CGAERO C[NH2+][C@@H](c1cccnc1)c1cc(Cl)ccc1OC ZINC000055223076 522372059 /nfs/dbraw/zinc/37/20/59/522372059.db2.gz LBDRLFXHVNLHLO-AWEZNQCLSA-N 1 0 262.740 3.052 10 0 CGAERO CCc1nc(N2CCC[C@@H]2C)sc1C[NH2+]C(C)C ZINC000054968924 522386032 /nfs/dbraw/zinc/38/60/32/522386032.db2.gz ATVLCYCLNSHNMC-NSHDSACASA-N 1 0 267.442 3.192 10 0 CGAERO C[NH2+][C@H](COc1cccc(F)c1F)c1ccccc1 ZINC000062614002 522470654 /nfs/dbraw/zinc/47/06/54/522470654.db2.gz JASAQEULLXMUFR-CYBMUJFWSA-N 1 0 263.287 3.304 10 0 CGAERO 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CC[C@H]1CCCN([C@@H](C[NH3+])c2ccc(F)c(C)c2)C1 ZINC000050546100 523095244 /nfs/dbraw/zinc/09/52/44/523095244.db2.gz MIXFZANRVPEUBB-BBRMVZONSA-N 1 0 264.388 3.256 10 0 CGAERO CC[C@@H]1CCCN(c2cc(Cl)ccc2C[NH3+])C1 ZINC000062786840 523254225 /nfs/dbraw/zinc/25/42/25/523254225.db2.gz DHSAACZNGNMYGF-LLVKDONJSA-N 1 0 252.789 3.425 10 0 CGAERO CC[C@@H]1CSC(N[C@@H](C)c2ccccc2F)=[NH+]1 ZINC000049531596 523519254 /nfs/dbraw/zinc/51/92/54/523519254.db2.gz CNDWZSJJGQAJSY-VHSXEESVSA-N 1 0 252.358 3.358 10 0 CGAERO CCc1ccc(N(C)Cc2cc(C[NH3+])c(C)o2)cc1 ZINC000052543718 523959478 /nfs/dbraw/zinc/95/94/78/523959478.db2.gz VPNFEWSNZXDWLO-UHFFFAOYSA-N 1 0 258.365 3.246 10 0 CGAERO Cc1cccc(-c2nccc(C[NH2+]CC(C)C)n2)c1 ZINC000054792357 524122698 /nfs/dbraw/zinc/12/26/98/524122698.db2.gz LABWCHPXLBKNNB-UHFFFAOYSA-N 1 0 255.365 3.198 10 0 CGAERO C[C@H]1CCN(c2cc(C(F)(F)F)ccc2F)CC[NH2+]1 ZINC000062661492 524306268 /nfs/dbraw/zinc/30/62/68/524306268.db2.gz PMKFVTCCOJGRDK-VIFPVBQESA-N 1 0 276.277 3.033 10 0 CGAERO 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3.405 10 0 CGAERO Cc1cc(C[NH2+][C@]2(CO)CCC[C@@H](C)C2)ccc1F ZINC000053117187 524786160 /nfs/dbraw/zinc/78/61/60/524786160.db2.gz CZODWQNAAPOGTH-MLGOLLRUSA-N 1 0 265.372 3.165 10 0 CGAERO C[C@@H]([NH3+])[C@@H](Sc1cccc(Cl)c1)c1cnn(C)c1 ZINC000054185277 525004708 /nfs/dbraw/zinc/00/47/08/525004708.db2.gz DZKFPBGHKMXLET-NOZJJQNGSA-N 1 0 281.812 3.254 10 0 CGAERO C[C@@H]([NH3+])c1ccc(Sc2nccn2C)c(Cl)c1 ZINC000061699930 525030840 /nfs/dbraw/zinc/03/08/40/525030840.db2.gz RJHBFCXIYJMFSG-MRVPVSSYSA-N 1 0 267.785 3.244 10 0 CGAERO C[C@@H]([NH3+])c1cnc(N(C)Cc2ccccc2Cl)s1 ZINC000054898748 525033199 /nfs/dbraw/zinc/03/31/99/525033199.db2.gz PCHFCZDZWUIBJL-SECBINFHSA-N 1 0 281.812 3.453 10 0 CGAERO COc1ccc([C@@H]2CC[NH2+][C@H]2CC(C)C)cc1OC ZINC000054929040 525254830 /nfs/dbraw/zinc/25/48/30/525254830.db2.gz CAXJHDCSLQRZHV-KBPBESRZSA-N 1 0 263.381 3.195 10 0 CGAERO C[C@@H](NC1=[NH+]C(C)(C)CS1)c1cccc(F)c1 ZINC000049531627 525395051 /nfs/dbraw/zinc/39/50/51/525395051.db2.gz BKROVUNSNMTWJX-SECBINFHSA-N 1 0 252.358 3.358 10 0 CGAERO COc1ccc([C@]2(C)C[C@@H]2C[NH2+]CC(C)C)cc1F ZINC000054598034 525444072 /nfs/dbraw/zinc/44/40/72/525444072.db2.gz ZVWMDUNPPHGFPW-CJNGLKHVSA-N 1 0 265.372 3.358 10 0 CGAERO Cc1cc([C@@H]([NH3+])c2cc(F)cc(F)c2)ccc1F ZINC000055225038 525481035 /nfs/dbraw/zinc/48/10/35/525481035.db2.gz GYFRDDIVISUTSS-CQSZACIVSA-N 1 0 251.251 3.460 10 0 CGAERO Cc1ccc([C@H]([C@@H](C)[NH3+])n2ncc3ccccc32)s1 ZINC000050524101 525979758 /nfs/dbraw/zinc/97/97/58/525979758.db2.gz SFYQCOYDSWMLII-ABAIWWIYSA-N 1 0 271.389 3.343 10 0 CGAERO Cc1ccc2[nH]c(S[C@H]([C@@H](C)[NH3+])C(F)(F)F)nc2c1 ZINC000061440188 526256260 /nfs/dbraw/zinc/25/62/60/526256260.db2.gz FITCCIWVFJEQCB-GMSGAONNSA-N 1 0 289.326 3.242 10 0 CGAERO Cc1csc(C[C@@H]([NH3+])Cc2c(F)cccc2Cl)n1 ZINC000055267716 526366929 /nfs/dbraw/zinc/36/69/29/526366929.db2.gz JJEZZZWWGNTTMW-VIFPVBQESA-N 1 0 284.787 3.357 10 0 CGAERO Cc1csc([C@@H]2CCC[N@H+](Cc3c(C)noc3C)C2)n1 ZINC000156975741 526422039 /nfs/dbraw/zinc/42/20/39/526422039.db2.gz AINFEUGCMJISBI-CYBMUJFWSA-N 1 0 291.420 3.436 10 0 CGAERO c1cnc2c(c1)cccc2OCCCC[NH2+]C1CC1 ZINC000052693713 526542461 /nfs/dbraw/zinc/54/24/61/526542461.db2.gz CQQIJTONELDKSO-UHFFFAOYSA-N 1 0 256.349 3.146 10 0 CGAERO Cc1nc(-c2cccs2)sc1C[NH2+]C1CC1 ZINC000052330877 526617818 /nfs/dbraw/zinc/61/78/18/526617818.db2.gz BAWPXVUNIJAOSR-UHFFFAOYSA-N 1 0 250.392 3.432 10 0 CGAERO [NH2+]=C(NCCc1ccc(Cl)cc1)c1ccccc1 ZINC000059926082 526826758 /nfs/dbraw/zinc/82/67/58/526826758.db2.gz YXQOWGXKTKOZOK-UHFFFAOYSA-N 1 0 258.752 3.498 10 0 CGAERO Cc1nc(C[C@H]([NH3+])c2cc(C)ccc2F)cs1 ZINC000055294752 526921684 /nfs/dbraw/zinc/92/16/84/526921684.db2.gz UMSSOKQPFUQBGO-ZDUSSCGKSA-N 1 0 250.342 3.142 10 0 CGAERO Clc1cccc(OC[C@@H]2CC[C@H](C[NH2+]C3CC3)O2)c1 ZINC000052674560 526980972 /nfs/dbraw/zinc/98/09/72/526980972.db2.gz RAKOVHKHHXDFDE-CABCVRRESA-N 1 0 281.783 3.018 10 0 CGAERO Cc1nc2c(cc(OC3C[NH2+]C3)c3ccsc32)s1 ZINC000054931722 527096499 /nfs/dbraw/zinc/09/64/99/527096499.db2.gz BOSJJKZHKUWKKI-UHFFFAOYSA-N 1 0 276.386 3.170 10 0 CGAERO [NH3+][C@@H](Cc1ccc(F)c(Br)c1)c1ccccn1 ZINC000049599003 527334306 /nfs/dbraw/zinc/33/43/06/527334306.db2.gz SJJBPUUKJOTDMJ-LBPRGKRZSA-N 1 0 295.155 3.226 10 0 CGAERO [NH3+][C@H](Cc1cc(F)cc(F)c1)c1ccc(F)cc1 ZINC000049348829 527388685 /nfs/dbraw/zinc/38/86/85/527388685.db2.gz LYCRZGDFTQVOMT-CQSZACIVSA-N 1 0 251.251 3.346 10 0 CGAERO CCC(C)(C)C1CCC([NH2+]C[C@@H]2[C@H]3COC[C@H]32)CC1 ZINC000367518859 528490958 /nfs/dbraw/zinc/49/09/58/528490958.db2.gz KPVJMJCICZNXGH-WQZDSJPGSA-N 1 0 265.441 3.463 10 0 CGAERO CC[C@H](CC1CCCC1)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000172168057 529319191 /nfs/dbraw/zinc/31/91/91/529319191.db2.gz XPZOAFIRMNACDD-MRXNPFEDSA-N 1 0 292.467 3.290 10 0 CGAERO CC(C)CC[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)C1CC1 ZINC000302478109 534944352 /nfs/dbraw/zinc/94/43/52/534944352.db2.gz HAMOYEQPMXVGQR-JYJNAYRXSA-N 1 0 253.430 3.342 10 0 CGAERO CC1(C)[C@H]([NH2+]CCCNc2ccccc2)[C@@H]2CCCO[C@H]21 ZINC000245840439 535069697 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C[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000044113264 622531459 /nfs/dbraw/zinc/53/14/59/622531459.db2.gz SFSVODAGLOUTGE-GWCFXTLKSA-N 1 0 273.298 3.223 10 0 CGAERO C[NH+](C)[C@@H](CNc1cncc2cccnc21)c1ccccc1 ZINC000223134979 622855401 /nfs/dbraw/zinc/85/54/01/622855401.db2.gz YQUGQHLBYLMLTQ-KRWDZBQOSA-N 1 0 292.386 3.345 10 0 CGAERO CCn1nc(C)c([C@H](C)[NH2+][C@@H]2CC[C@@H](SC)C2)c1C ZINC000225523006 622918090 /nfs/dbraw/zinc/91/80/90/622918090.db2.gz BAEDFGLHUKTDJU-ZLKJLUDKSA-N 1 0 281.469 3.455 10 0 CGAERO Cc1ccc(C[NH2+]Cc2ccc(O)c(Cl)c2)cn1 ZINC000062051675 623193201 /nfs/dbraw/zinc/19/32/01/623193201.db2.gz YQGHUBRHTNQPIW-UHFFFAOYSA-N 1 0 262.740 3.039 10 0 CGAERO CCC(CC)C[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000230167267 623213719 /nfs/dbraw/zinc/21/37/19/623213719.db2.gz JCNHKIXJOWHBQO-AWEZNQCLSA-N 1 0 284.444 3.269 10 0 CGAERO CC(C)Oc1cncc(-c2ccc(C[C@H](C)[NH3+])cc2)c1 ZINC000232713103 623484252 /nfs/dbraw/zinc/48/42/52/623484252.db2.gz ATKUPNCRSLBVSP-ZDUSSCGKSA-N 1 0 270.376 3.426 10 0 CGAERO CCCCC[C@@H]([NH2+]Cc1nnnn1C(C)C)C(C)(C)C ZINC000179922377 624694925 /nfs/dbraw/zinc/69/49/25/624694925.db2.gz SBHYKUDHYUXPTP-CYBMUJFWSA-N 1 0 281.448 3.339 10 0 CGAERO Fc1ccc(-c2nc(C[C@H]3CCC[NH2+]C3)no2)cc1Cl ZINC000212993162 636421162 /nfs/dbraw/zinc/42/11/62/636421162.db2.gz VVQZQPMIBGLFEP-SECBINFHSA-N 1 0 295.745 3.071 10 0 CGAERO C[C@@H]1C[NH+](Cn2ccc(=S)c3ccccc32)C[C@@H](C)O1 ZINC000109313872 637043233 /nfs/dbraw/zinc/04/32/33/637043233.db2.gz RJGDYVKPMRKVPC-CHWSQXEVSA-N 1 0 288.416 3.437 10 0 CGAERO C[NH+](C)C[C@H](NC(=O)/C=C/c1ccccc1)c1ccccc1 ZINC000007816487 637346065 /nfs/dbraw/zinc/34/60/65/637346065.db2.gz FVPNNOHHZPPGOT-JKGDOXCYSA-N 1 0 294.398 3.119 10 0 CGAERO CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000220568858 637677174 /nfs/dbraw/zinc/67/71/74/637677174.db2.gz CPLNXUAERRNLDP-SQWLQELKSA-N 1 0 275.392 3.446 10 0 CGAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000300357530 637832844 /nfs/dbraw/zinc/83/28/44/637832844.db2.gz CHUJJKRRMWAOGD-KFWWJZLASA-N 1 0 296.455 3.412 10 0 CGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000300359083 637832883 /nfs/dbraw/zinc/83/28/83/637832883.db2.gz MLTHDAHBTYBQHT-BARDWOONSA-N 1 0 296.455 3.458 10 0 CGAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000300581642 637845940 /nfs/dbraw/zinc/84/59/40/637845940.db2.gz KGHIGIAAYMBBRW-XBFCOCLRSA-N 1 0 253.773 3.152 10 0 CGAERO OC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000223858638 637892301 /nfs/dbraw/zinc/89/23/01/637892301.db2.gz UKBWHGGPVYBFFH-NNXHMXCWSA-N 1 0 265.441 3.486 10 0 CGAERO CC(C)CCCCCCNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000040830245 639897780 /nfs/dbraw/zinc/89/77/80/639897780.db2.gz LLDKDIFLYWTGIU-QGZVFWFLSA-N 1 0 290.451 3.279 10 0 CGAERO CSc1ccc(NC(=O)[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000089385881 640643631 /nfs/dbraw/zinc/64/36/31/640643631.db2.gz NJNKGYHZUBZECQ-FZMZJTMJSA-N 1 0 278.421 3.112 10 0 CGAERO [NH3+]C[C@H]1CCCC[C@H]1C(=O)Nc1cccc(Cl)c1 ZINC000089386400 640643697 /nfs/dbraw/zinc/64/36/97/640643697.db2.gz TUSCHAZBPGTPJI-ZWNOBZJWSA-N 1 0 266.772 3.044 10 0 CGAERO C[C@H](NC(=O)[C@H]1CCCC[C@@H]1C[NH3+])c1ccccc1Cl ZINC000089395605 640644537 /nfs/dbraw/zinc/64/45/37/640644537.db2.gz YDHXDQALHOYPQV-SCRDCRAPSA-N 1 0 294.826 3.282 10 0 CGAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc2ccccc2c1 ZINC000094647915 640800561 /nfs/dbraw/zinc/80/05/61/640800561.db2.gz GYWVSEMINVIVRA-LRDDRELGSA-N 1 0 268.360 3.166 10 0 CGAERO Cc1ccc(OCC[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000251254251 640823093 /nfs/dbraw/zinc/82/30/93/640823093.db2.gz COMNMILBYGYGDG-FUHWJXTLSA-N 1 0 289.419 3.001 10 0 CGAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000252564608 640854229 /nfs/dbraw/zinc/85/42/29/640854229.db2.gz YDEHZGYYBRBCFW-HZMVEIRTSA-N 1 0 294.483 3.044 10 0 CGAERO Cc1ccc([C@H](C)[NH2+]Cc2nccnc2C)c(C)c1 ZINC000621329873 349497437 /nfs/dbraw/zinc/49/74/37/349497437.db2.gz RKKGXFVLEHUJJO-ZDUSSCGKSA-N 1 0 255.365 3.253 10 0 CGAERO CCSCc1nc(C(C)(C)C)c(C[NH2+]C)s1 ZINC000082439660 178017612 /nfs/dbraw/zinc/01/76/12/178017612.db2.gz MGMIEHJUCFYDFP-UHFFFAOYSA-N 1 0 258.456 3.413 10 0 CGAERO C[NH2+]Cc1sc(-c2ccco2)nc1C(C)(C)C ZINC000082440574 178019279 /nfs/dbraw/zinc/01/92/79/178019279.db2.gz HNJXYBKNBMTKDP-UHFFFAOYSA-N 1 0 250.367 3.420 10 0 CGAERO CC1(C)C[C@H]([NH2+]CCCn2ccnc2)c2ccccc2O1 ZINC000082504920 178069516 /nfs/dbraw/zinc/06/95/16/178069516.db2.gz VDHLSCBKSDFEJD-HNNXBMFYSA-N 1 0 285.391 3.165 10 0 CGAERO Nc1ccc(C2=CC[C@@]([NH3+])(c3ccccc3)C=C2)cc1 ZINC000095932588 185032643 /nfs/dbraw/zinc/03/26/43/185032643.db2.gz QQWWWAQUMVHHQN-GOSISDBHSA-N 1 0 262.356 3.466 10 0 CGAERO [NH3+][C@H]1CCc2c(cccc2OCc2ccccc2)C1 ZINC000095933061 185032946 /nfs/dbraw/zinc/03/29/46/185032946.db2.gz UXIXDGIONROWOB-HNNXBMFYSA-N 1 0 253.345 3.082 10 0 CGAERO C[NH2+]Cc1cnn(-c2ccc(C)cc2C)c1C(F)(F)F ZINC000082661778 178149648 /nfs/dbraw/zinc/14/96/48/178149648.db2.gz XGYBMIXRSQWZIT-UHFFFAOYSA-N 1 0 283.297 3.227 10 0 CGAERO C[C@H]([NH3+])c1cc2c(cc1Br)CCCC2 ZINC000082726327 178242418 /nfs/dbraw/zinc/24/24/18/178242418.db2.gz WVBBRJHJJRRUNV-QMMMGPOBSA-N 1 0 254.171 3.348 10 0 CGAERO Cc1cc([C@@H](O)[C@@H]2CCC[NH2+]C2)c(C)cc1Br ZINC000083159118 178345220 /nfs/dbraw/zinc/34/52/20/178345220.db2.gz HUHRQEJAZHDPHA-RISCZKNCSA-N 1 0 298.224 3.099 10 0 CGAERO Brc1ccc(-c2cnc(C[NH2+]C3CC3)s2)o1 ZINC000083241485 178366395 /nfs/dbraw/zinc/36/63/95/178366395.db2.gz GTMLCHMFIXAJBM-UHFFFAOYSA-N 1 0 299.193 3.418 10 0 CGAERO Cc1ccc(Br)cc1[C@@H](C[NH3+])C(C)C ZINC000083256025 178371818 /nfs/dbraw/zinc/37/18/18/178371818.db2.gz SPHYZFUBTWVWRT-LBPRGKRZSA-N 1 0 256.187 3.456 10 0 CGAERO CCCOc1cccc(-c2nc(CC[NH3+])cs2)c1 ZINC000083456685 178471092 /nfs/dbraw/zinc/47/10/92/178471092.db2.gz LARYNCYIKLDDFJ-UHFFFAOYSA-N 1 0 262.378 3.100 10 0 CGAERO Cn1nccc1C[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000126155237 187220466 /nfs/dbraw/zinc/22/04/66/187220466.db2.gz GTSFLPRLIPOXKW-INIZCTEOSA-N 1 0 269.392 3.223 10 0 CGAERO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1COc2ccccc21 ZINC000126702843 187256941 /nfs/dbraw/zinc/25/69/41/187256941.db2.gz DPESYHJMWSCMKN-WBMJQRKESA-N 1 0 269.344 3.047 10 0 CGAERO CC[C@@H]1C[NH2+][C@@H](C)CN1[C@@H](C)c1ccc(Cl)cc1 ZINC000083493725 178518674 /nfs/dbraw/zinc/51/86/74/178518674.db2.gz OEJOUAKEILTSLG-SLEUVZQESA-N 1 0 266.816 3.473 10 0 CGAERO [NH3+]Cc1csc(-c2ccc(F)cc2C(F)(F)F)n1 ZINC000083546633 178573973 /nfs/dbraw/zinc/57/39/73/178573973.db2.gz HVHAQSUKMBWUPI-UHFFFAOYSA-N 1 0 276.258 3.427 10 0 CGAERO C[NH+](C)[C@@H]1CCN(c2nc(-c3ccc(F)cc3)cs2)C1 ZINC000127087526 187281799 /nfs/dbraw/zinc/28/17/99/187281799.db2.gz CNULBMOFWLYZCM-CYBMUJFWSA-N 1 0 291.395 3.090 10 0 CGAERO c1ccc2c(c1)CCc1ccccc1C21CCC[NH2+]C1 ZINC000006117298 344864080 /nfs/dbraw/zinc/86/40/80/344864080.db2.gz LJUPLICWXJARFD-UHFFFAOYSA-N 1 0 263.384 3.455 10 0 CGAERO c1[nH]c2cccc3c2c1C[C@H]1[NH2+]Cc2ccccc2[C@H]31 ZINC000013861013 344881354 /nfs/dbraw/zinc/88/13/54/344881354.db2.gz QJLYNIKEQOTHRK-SJLPKXTDSA-N 1 0 260.340 3.328 10 0 CGAERO CC(C)[C@H]1CC[C@H](C)C[C@H]1[NH2+]CCC[C@H](C)CO ZINC000222588976 260226032 /nfs/dbraw/zinc/22/60/32/260226032.db2.gz YYGNQRYJBURJTL-CAOSSQGBSA-N 1 0 255.446 3.445 10 0 CGAERO O[C@@H]1CCC[NH2+][C@H]1[C@H](c1ccccc1)C1CCCCC1 ZINC000031561972 344926863 /nfs/dbraw/zinc/92/68/63/344926863.db2.gz LDUBLCJVDIXHKE-KZNAEPCWSA-N 1 0 273.420 3.463 10 0 CGAERO CCC(=O)N(c1ccccc1)[C@H]1CCCC[C@H]1[NH+](C)C ZINC000028237961 344913653 /nfs/dbraw/zinc/91/36/53/344913653.db2.gz FYMBNVYLYZOADF-CVEARBPZSA-N 1 0 274.408 3.302 10 0 CGAERO COc1ccc2c(c1)[C@H](c1ccccc1)OC21CC[NH2+]CC1 ZINC000039206746 344957815 /nfs/dbraw/zinc/95/78/15/344957815.db2.gz CPRSJOQHSIRVGM-SFHVURJKSA-N 1 0 295.382 3.394 10 0 CGAERO c1ccc(CCc2ccccc2C2=[NH+]CCCN2)cc1 ZINC000039172495 344957996 /nfs/dbraw/zinc/95/79/96/344957996.db2.gz QKUKLLDVIWZCPD-UHFFFAOYSA-N 1 0 264.372 3.212 10 0 CGAERO Oc1ccc2c(c1)[C@@H](c1ccccc1)OC21CC[NH2+]CC1 ZINC000039206760 344958817 /nfs/dbraw/zinc/95/88/17/344958817.db2.gz ADLBQRLVZSKWLB-QGZVFWFLSA-N 1 0 281.355 3.091 10 0 CGAERO [NH3+][C@@H](c1ccoc1)c1ccc(Br)s1 ZINC000040236055 344961683 /nfs/dbraw/zinc/96/16/83/344961683.db2.gz SHBWYCZOFRZULQ-VIFPVBQESA-N 1 0 258.140 3.152 10 0 CGAERO CC(C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000042291319 344982082 /nfs/dbraw/zinc/98/20/82/344982082.db2.gz FUPDCEYJNAJCHT-OLZOCXBDSA-N 1 0 285.391 3.196 10 0 CGAERO CCc1ccc([C@@H](C)NC(=O)CC[C@H]2CCC[NH2+]C2)cc1 ZINC000043588560 345001876 /nfs/dbraw/zinc/00/18/76/345001876.db2.gz YRNPUWGRSPHDAV-GDBMZVCRSA-N 1 0 288.435 3.206 10 0 CGAERO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]CC1CCOCC1 ZINC000052178103 345099455 /nfs/dbraw/zinc/09/94/55/345099455.db2.gz RPQGHDOSOMEMJU-NEPJUHHUSA-N 1 0 265.319 3.124 10 0 CGAERO CC[C@H](NC(=O)C[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000054306781 345132169 /nfs/dbraw/zinc/13/21/69/345132169.db2.gz OBIVXXGFFTZDRM-WFASDCNBSA-N 1 0 294.826 3.297 10 0 CGAERO CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054306459 345132295 /nfs/dbraw/zinc/13/22/95/345132295.db2.gz OLTVZRAAJLOHIZ-RRFJBIMHSA-N 1 0 280.456 3.097 10 0 CGAERO CC(C)(C)[C@H](NC(=O)C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000054306920 345132356 /nfs/dbraw/zinc/13/23/56/345132356.db2.gz KSZZAACBTZUDEB-RHSMWYFYSA-N 1 0 288.435 3.280 10 0 CGAERO CCCCC[C@@H]([NH3+])c1cc(OC)c(OC)cc1F ZINC000061560621 345230417 /nfs/dbraw/zinc/23/04/17/345230417.db2.gz FNBNSBLCRDXSRJ-GFCCVEGCSA-N 1 0 255.333 3.423 10 0 CGAERO C[C@H]([NH3+])c1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000061698699 345231951 /nfs/dbraw/zinc/23/19/51/345231951.db2.gz ZIOQMTIZHUGSQR-LURJTMIESA-N 1 0 253.651 3.301 10 0 CGAERO C[C@H]([NH3+])[C@H](C)c1ncc(C(F)(F)F)cc1Cl ZINC000063028711 345243371 /nfs/dbraw/zinc/24/33/71/345243371.db2.gz CVXHVOJRHYGZOM-WDSKDSINSA-N 1 0 252.667 3.205 10 0 CGAERO [NH3+][C@@H]1CCCc2c(F)cc(Br)c(F)c21 ZINC000070023364 345387688 /nfs/dbraw/zinc/38/76/88/345387688.db2.gz LTSXCDYJWNFRKD-MRVPVSSYSA-N 1 0 262.097 3.063 10 0 CGAERO C[NH2+][C@@H]1CCCC[C@@H]1c1occc1Br ZINC000068983340 345369821 /nfs/dbraw/zinc/36/98/21/345369821.db2.gz SRRMDDOVLAQFAQ-WCBMZHEXSA-N 1 0 258.159 3.288 10 0 CGAERO [NH3+][C@@H]1CCCc2c1cnn2-c1ccc(OC(F)(F)F)cc1 ZINC000072415963 345409618 /nfs/dbraw/zinc/40/96/18/345409618.db2.gz QSRQNKTWQXJLKZ-GFCCVEGCSA-N 1 0 297.280 3.107 10 0 CGAERO C[C@@H]([NH3+])c1csc(-c2ccc(Br)o2)n1 ZINC000070842787 345396417 /nfs/dbraw/zinc/39/64/17/345396417.db2.gz CZMWSPQRGYGNAM-RXMQYKEDSA-N 1 0 273.155 3.185 10 0 CGAERO CCCOc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2O)cc1 ZINC000077204434 345559957 /nfs/dbraw/zinc/55/99/57/345559957.db2.gz GHTUYTKNUHXMAO-NVXWUHKLSA-N 1 0 277.408 3.116 10 0 CGAERO Cc1ccnc(N2CCC[C@@H]([NH+]3CCCCCC3)C2)c1 ZINC000091482478 345816186 /nfs/dbraw/zinc/81/61/86/345816186.db2.gz HGMWXWCQCIUGJY-MRXNPFEDSA-N 1 0 273.424 3.235 10 0 CGAERO CC[NH+](CC)[C@@H](C)CNC(=O)C[C@H](C)c1cccc(F)c1 ZINC000116200432 345976018 /nfs/dbraw/zinc/97/60/18/345976018.db2.gz AWQNLGSBMIYMME-KBPBESRZSA-N 1 0 294.414 3.166 10 0 CGAERO Fc1ccccc1[C@@H]1C[NH2+]CCCN1c1ccccc1 ZINC000117614957 345985121 /nfs/dbraw/zinc/98/51/21/345985121.db2.gz OAFARYKJZLPOEE-KRWDZBQOSA-N 1 0 270.351 3.367 10 0 CGAERO CN(C(=O)Nc1ccc([C@H]2CC[NH2+]C2)cc1)c1ccccc1 ZINC000117743974 345985975 /nfs/dbraw/zinc/98/59/75/345985975.db2.gz KPVBXXJDPJNOTR-HNNXBMFYSA-N 1 0 295.386 3.432 10 0 CGAERO CC[C@@H](O)CC[NH2+][C@H](Cc1ccccc1OC)C(C)C ZINC000128308900 187362523 /nfs/dbraw/zinc/36/25/23/187362523.db2.gz VQTPFYWGCMCOFG-HZPDHXFCSA-N 1 0 279.424 3.013 10 0 CGAERO Cc1cccc(N2CCCC2=[NH2+])c1Br ZINC000131853085 346068584 /nfs/dbraw/zinc/06/85/84/346068584.db2.gz KTFWGDMPWHNPKG-UHFFFAOYSA-N 1 0 253.143 3.335 10 0 CGAERO C[C@H]1CCc2c(C[NH3+])c(Br)sc2C1 ZINC000132834584 346074399 /nfs/dbraw/zinc/07/43/99/346074399.db2.gz MSFIYZMKSUGTCS-LURJTMIESA-N 1 0 260.200 3.094 10 0 CGAERO [NH3+]CCCNc1cc(Cl)c(Cl)cc1Cl ZINC000135255490 346087045 /nfs/dbraw/zinc/08/70/45/346087045.db2.gz ZQOXYIRSGHTROC-UHFFFAOYSA-N 1 0 253.560 3.408 10 0 CGAERO Cc1ccccc1-c1c2c(ccc1F)C[C@@H](C[NH3+])O2 ZINC000136096734 346089562 /nfs/dbraw/zinc/08/95/62/346089562.db2.gz BICBJDLSJVHPAR-LBPRGKRZSA-N 1 0 257.308 3.063 10 0 CGAERO Cc1cccc(-c2cccc3c2O[C@H](C[NH3+])CO3)c1C ZINC000136633491 346091461 /nfs/dbraw/zinc/09/14/61/346091461.db2.gz GQIRZZAASRNACF-CYBMUJFWSA-N 1 0 269.344 3.069 10 0 CGAERO Cc1ccccc1-c1cc(F)cc2c1O[C@@H](C[NH3+])C2 ZINC000137262913 346094127 /nfs/dbraw/zinc/09/41/27/346094127.db2.gz DRVWKUMWLNSMCR-CYBMUJFWSA-N 1 0 257.308 3.063 10 0 CGAERO [NH3+]C[C@@H]1CCc2[nH]c3cc(Cl)c(F)cc3c2C1 ZINC000145470728 346120432 /nfs/dbraw/zinc/12/04/32/346120432.db2.gz MKQNQYQRASYIDT-SSDOTTSWSA-N 1 0 252.720 3.024 10 0 CGAERO c1ccc(CO[C@@H]2C[NH2+]C[C@@H](COc3ccccc3)C2)cc1 ZINC000147199947 346125438 /nfs/dbraw/zinc/12/54/38/346125438.db2.gz QXUWIMWPSXTCPL-HKUYNNGSSA-N 1 0 297.398 3.260 10 0 CGAERO CCCC(=O)Nc1ccc(F)c(C2CC[NH2+]CC2)c1 ZINC000148816199 346129105 /nfs/dbraw/zinc/12/91/05/346129105.db2.gz PSRSLOVDACANRX-UHFFFAOYSA-N 1 0 264.344 3.031 10 0 CGAERO C[C@H]1C[C@@]1(C[NH3+])Sc1ccccc1Br ZINC000160996926 346173586 /nfs/dbraw/zinc/17/35/86/346173586.db2.gz PPTSMXXUCVMRFM-KWQFWETISA-N 1 0 272.211 3.279 10 0 CGAERO C[C@@H]1C[C@H](c2ccc(Br)c(F)c2)C[NH2+]1 ZINC000161935616 346177479 /nfs/dbraw/zinc/17/74/79/346177479.db2.gz UBSORMMUWTVLAX-APPZFPTMSA-N 1 0 258.134 3.054 10 0 CGAERO Cc1cccc([C@H](C)[NH2+]CC(=O)NC2CCCCC2)c1 ZINC000157331501 346161144 /nfs/dbraw/zinc/16/11/44/346161144.db2.gz KVFZHURSIXNFHN-AWEZNQCLSA-N 1 0 274.408 3.095 10 0 CGAERO C[NH2+][C@@H](c1occc1Br)[C@H]1CCSC1 ZINC000163186650 346180712 /nfs/dbraw/zinc/18/07/12/346180712.db2.gz XLUQNKWBSLSUFF-IONNQARKSA-N 1 0 276.199 3.056 10 0 CGAERO Cc1cc2c(c(-c3ccccc3F)c1)O[C@H](C[NH3+])C2 ZINC000166964639 346187480 /nfs/dbraw/zinc/18/74/80/346187480.db2.gz UHVOZDMJGKHOGD-LBPRGKRZSA-N 1 0 257.308 3.063 10 0 CGAERO C[NH2+]C[C@H]1Cc2cc(C)cc(-c3ccc(C)cc3)c2O1 ZINC000166895707 346187548 /nfs/dbraw/zinc/18/75/48/346187548.db2.gz GWXARKURQCPLNM-MRXNPFEDSA-N 1 0 267.372 3.493 10 0 CGAERO C[NH2+][C@@H](c1csc(Br)c1)C1=CCCO1 ZINC000168380109 346190726 /nfs/dbraw/zinc/19/07/26/346190726.db2.gz XGOVJNRXGHRVAX-JTQLQIEISA-N 1 0 274.183 3.075 10 0 CGAERO CC[C@@H]1C[C@@]1([NH3+])c1ccc(F)c(Br)c1 ZINC000169252160 346192542 /nfs/dbraw/zinc/19/25/42/346192542.db2.gz FOCYTZOFOZFSBI-HQJQHLMTSA-N 1 0 258.134 3.172 10 0 CGAERO CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]2c2ccco2)CC1 ZINC000174906542 346246707 /nfs/dbraw/zinc/24/67/07/346246707.db2.gz VIKRVCULBYUKKO-OAHLLOKOSA-N 1 0 290.407 3.064 10 0 CGAERO CN(C(=O)OC(C)(C)C)c1cccc([C@H]2CCC[NH2+]2)c1 ZINC000218940175 346294403 /nfs/dbraw/zinc/29/44/03/346294403.db2.gz DVXGYFLAEPMHLG-CQSZACIVSA-N 1 0 276.380 3.482 10 0 CGAERO C[C@@H]1Cc2c(c(Br)ccc2Cl)[C@H]1[NH3+] ZINC000235394057 346334873 /nfs/dbraw/zinc/33/48/73/346334873.db2.gz LIMUNCUSPQILLY-FWOIEVBISA-N 1 0 260.562 3.295 10 0 CGAERO CC1(C)[C@H](c2cc(Br)cs2)C[C@@H]1[NH3+] ZINC000229870892 346318985 /nfs/dbraw/zinc/31/89/85/346318985.db2.gz BMIHAHPJAOFOHA-CBAPKCEASA-N 1 0 260.200 3.351 10 0 CGAERO C[C@@H]1C[NH2+][C@@H](c2cc(Br)cs2)CS1 ZINC000229867246 346319268 /nfs/dbraw/zinc/31/92/68/346319268.db2.gz YLSMSFPGHUSPHB-HTRCEHHLSA-N 1 0 278.240 3.277 10 0 CGAERO CN(C(=O)c1cc2sccc2s1)[C@H]1CCC[NH2+]CC1 ZINC000231481791 346322905 /nfs/dbraw/zinc/32/29/05/346322905.db2.gz RHRNUNTZIHEMGI-JTQLQIEISA-N 1 0 294.445 3.177 10 0 CGAERO CC[C@@H](c1ccc(F)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247148732 346368449 /nfs/dbraw/zinc/36/84/49/346368449.db2.gz RUGSKZLQVKSIFN-HOTGVXAUSA-N 1 0 262.372 3.057 10 0 CGAERO COc1ccc(F)cc1CCC[NH2+]C1CCCC1 ZINC000098128852 185690260 /nfs/dbraw/zinc/69/02/60/185690260.db2.gz SWTXEURVXHGGAW-UHFFFAOYSA-N 1 0 251.345 3.299 10 0 CGAERO [NH3+]C[C@@H](F)c1c(Cl)cccc1Br ZINC000306262356 346452091 /nfs/dbraw/zinc/45/20/91/346452091.db2.gz XLVWGFMVGBFTPX-SSDOTTSWSA-N 1 0 252.514 3.072 10 0 CGAERO C[C@@H]1C[C@]2(CN1Cc1ccccc1)[NH2+]C(C)(C)CS2 ZINC000306357596 346453213 /nfs/dbraw/zinc/45/32/13/346453213.db2.gz XDFLJTFYAXJUHQ-CJNGLKHVSA-N 1 0 276.449 3.092 10 0 CGAERO [NH2+]=C(NCc1ccccc1)Nc1cc(F)cc(F)c1F ZINC000306859962 346458603 /nfs/dbraw/zinc/45/86/03/346458603.db2.gz DKBMCIQVWBDKSS-UHFFFAOYSA-N 1 0 279.265 3.240 10 0 CGAERO C[C@H]1[NH2+]CCC[C@H]1c1nc(C2CCCCCC2)no1 ZINC000384474288 346563951 /nfs/dbraw/zinc/56/39/51/346563951.db2.gz OBILIEYKRVZAIX-DGCLKSJQSA-N 1 0 263.385 3.363 10 0 CGAERO O[C@H](c1ccc(Cc2ccccc2)cc1)[C@@H]1CCC[NH2+]1 ZINC000085686508 179116081 /nfs/dbraw/zinc/11/60/81/179116081.db2.gz DEGVAGVLWUNLPJ-ZWKOTPCHSA-N 1 0 267.372 3.063 10 0 CGAERO COc1cc(C(F)(F)F)cc(C[NH3+])c1C(F)(F)F ZINC000514264537 346636218 /nfs/dbraw/zinc/63/62/18/346636218.db2.gz LLAGCWSVMGCGGB-UHFFFAOYSA-N 1 0 273.176 3.192 10 0 CGAERO Fc1ccc(Cl)cc1[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000584644757 346703407 /nfs/dbraw/zinc/70/34/07/346703407.db2.gz FXXXZAXEYWYHGN-SNVBAGLBSA-N 1 0 267.653 3.273 10 0 CGAERO C[C@@H]([NH3+])c1cc(F)ccc1N1CCc2ccccc2C1 ZINC000019872386 136579453 /nfs/dbraw/zinc/57/94/53/136579453.db2.gz VULMVBNUAUCKSK-GFCCVEGCSA-N 1 0 270.351 3.408 10 0 CGAERO Fc1cc(Cl)ccc1-n1nccc1C1CC[NH2+]CC1 ZINC000584648629 346704567 /nfs/dbraw/zinc/70/45/67/346704567.db2.gz MTWXEXNVYADVTC-UHFFFAOYSA-N 1 0 279.746 3.132 10 0 CGAERO c1ccc(C(c2ccccc2)N2CC[C@@H]3CC[NH2+]C[C@H]32)cc1 ZINC000584619825 346695151 /nfs/dbraw/zinc/69/51/51/346695151.db2.gz FIUPZOHHQMYFGS-QFBILLFUSA-N 1 0 292.426 3.460 10 0 CGAERO c1ccc(C(c2ccccc2)N2CC[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000584619824 346695300 /nfs/dbraw/zinc/69/53/00/346695300.db2.gz FIUPZOHHQMYFGS-LPHOPBHVSA-N 1 0 292.426 3.460 10 0 CGAERO Nc1c2ccc([C@@H]3CCC[NH2+]3)cc2nn1-c1ccccc1 ZINC000584626138 346697456 /nfs/dbraw/zinc/69/74/56/346697456.db2.gz HKLPIUAWCLTQON-HNNXBMFYSA-N 1 0 278.359 3.032 10 0 CGAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1c1nc2ccccc2s1 ZINC000604995858 348142096 /nfs/dbraw/zinc/14/20/96/348142096.db2.gz IZDGFKVPLHYFCJ-STQMWFEESA-N 1 0 287.432 3.359 10 0 CGAERO C[NH2+][C@H]1CCC[C@H]1c1nc(-c2cccc(Cl)c2)no1 ZINC000104061749 185889546 /nfs/dbraw/zinc/88/95/46/185889546.db2.gz YMGTYZLTDQOMEP-NEPJUHHUSA-N 1 0 277.755 3.246 10 0 CGAERO CCc1ccc(-c2noc([C@@H](C)[C@@H](C)[NH2+]C)n2)cc1 ZINC000104061788 185889561 /nfs/dbraw/zinc/88/95/61/185889561.db2.gz JYOBSAYCTBNBBE-WDEREUQCSA-N 1 0 259.353 3.010 10 0 CGAERO CCOC(=O)c1ccc([C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000616613649 348846492 /nfs/dbraw/zinc/84/64/92/348846492.db2.gz OVPWCAXGQHXJJM-HNNXBMFYSA-N 1 0 275.392 3.451 10 0 CGAERO CC(C)(C)[N@@H+]1CCCC[C@H]1c1ccccc1C(N)=O ZINC000616615764 348846521 /nfs/dbraw/zinc/84/65/21/348846521.db2.gz RJIGPSUOHJTYAT-AWEZNQCLSA-N 1 0 260.381 3.111 10 0 CGAERO CC(=O)Nc1ccc([C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000616614099 348846590 /nfs/dbraw/zinc/84/65/90/348846590.db2.gz CXBJGYRCSHLIAQ-CQSZACIVSA-N 1 0 260.381 3.233 10 0 CGAERO Nc1ncccc1C1CC[NH+](Cc2ccccc2)CC1 ZINC000616620661 348847949 /nfs/dbraw/zinc/84/79/49/348847949.db2.gz FYJVJSGDGKQJOR-UHFFFAOYSA-N 1 0 267.376 3.043 10 0 CGAERO CC(C)(C)[N@@H+]1CCCOC[C@@H]1c1cnnc2ccccc21 ZINC000616598441 348839900 /nfs/dbraw/zinc/83/99/00/348839900.db2.gz ATHAGHRJPVVSCV-MRXNPFEDSA-N 1 0 285.391 3.192 10 0 CGAERO CC(C)[N@@H+]1CCOCC[C@@H]1c1cnc2ccccc2c1 ZINC000616597532 348840080 /nfs/dbraw/zinc/84/00/80/348840080.db2.gz ATIISXMITVGAGD-QGZVFWFLSA-N 1 0 270.376 3.407 10 0 CGAERO CC(=O)Nc1ccc([C@@H]2COCCC[N@@H+]2C(C)(C)C)cc1 ZINC000616598433 348840362 /nfs/dbraw/zinc/84/03/62/348840362.db2.gz ZOFKCUBRKFYAHX-INIZCTEOSA-N 1 0 290.407 3.207 10 0 CGAERO c1cnn([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC000616609658 348844880 /nfs/dbraw/zinc/84/48/80/348844880.db2.gz FOKHZXDLLPZWIN-MRXNPFEDSA-N 1 0 255.365 3.110 10 0 CGAERO NC(=O)c1ccccc1[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000616609854 348844970 /nfs/dbraw/zinc/84/49/70/348844970.db2.gz BCGHGABVSSAKFK-MRXNPFEDSA-N 1 0 294.398 3.165 10 0 CGAERO OCCc1ccc([C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000616610146 348845108 /nfs/dbraw/zinc/84/51/08/348845108.db2.gz UAMVMOCGDHYRQZ-IBGZPJMESA-N 1 0 281.399 3.211 10 0 CGAERO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)CC1 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IUFJMFLMRNNNBZ-NVXWUHKLSA-N 1 0 293.382 3.083 10 0 CGAERO CC(C)c1cnc(-c2ccc(NC(=O)C[C@H](C)[NH3+])cc2)o1 ZINC000261662697 165823994 /nfs/dbraw/zinc/82/39/94/165823994.db2.gz ACGFWIMWAGSJEM-NSHDSACASA-N 1 0 287.363 3.141 10 0 CGAERO CC[C@@](C)(O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000119398165 287169024 /nfs/dbraw/zinc/16/90/24/287169024.db2.gz FEIPERBAUBILER-QGZVFWFLSA-N 1 0 261.409 3.102 10 0 CGAERO CCCCC[N@@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121191644 287194443 /nfs/dbraw/zinc/19/44/43/287194443.db2.gz MHVZIJKEXXKPQW-SWLSCSKDSA-N 1 0 269.335 3.263 10 0 CGAERO CCC[C@H](C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC)C(C)C ZINC000123272522 287218064 /nfs/dbraw/zinc/21/80/64/287218064.db2.gz RAKYTDJJSWNENR-JYJNAYRXSA-N 1 0 280.456 3.144 10 0 CGAERO CC(C)C[NH2+]Cc1nccn1Cc1cccc(Cl)c1 ZINC000006687690 170226195 /nfs/dbraw/zinc/22/61/95/170226195.db2.gz PPOITNREFBULPZ-UHFFFAOYSA-N 1 0 277.799 3.330 10 0 CGAERO Cc1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000007816547 170304019 /nfs/dbraw/zinc/30/40/19/170304019.db2.gz RNBZUAMPBKEHGK-QGZVFWFLSA-N 1 0 282.387 3.028 10 0 CGAERO COc1cccc(NC(=O)C[NH2+]C2CCCCCCC2)c1 ZINC000008131044 170320228 /nfs/dbraw/zinc/32/02/28/170320228.db2.gz VQLAGPSXCYRBPU-UHFFFAOYSA-N 1 0 290.407 3.336 10 0 CGAERO Cn1cc[nH+]c1NCc1ccc(Cl)c(Cl)c1 ZINC000008699316 170346335 /nfs/dbraw/zinc/34/63/35/170346335.db2.gz KBWCFNJSVGPOCJ-UHFFFAOYSA-N 1 0 256.136 3.339 10 0 CGAERO COc1ccc(CC[NH3+])c(OCc2cccc(C)c2)c1 ZINC000011823470 170443980 /nfs/dbraw/zinc/44/39/80/170443980.db2.gz CSPCWVWYUGOJKS-UHFFFAOYSA-N 1 0 271.360 3.084 10 0 CGAERO [NH3+]Cc1ccc(COc2ccccc2Br)cc1 ZINC000011945556 170460245 /nfs/dbraw/zinc/46/02/45/170460245.db2.gz DBGYTXCQMKJFBO-UHFFFAOYSA-N 1 0 292.176 3.487 10 0 CGAERO Cc1cc(C)c([C@@H]([NH3+])COC[C@@H]2CCCCO2)c(C)c1 ZINC000019407068 170787706 /nfs/dbraw/zinc/78/77/06/170787706.db2.gz OOTUDNDMUZXBLD-HOTGVXAUSA-N 1 0 277.408 3.197 10 0 CGAERO COc1cc(C[NH2+][C@H]2CCC[C@@H](C)[C@@H]2C)ccc1O ZINC000019963130 170944795 /nfs/dbraw/zinc/94/47/95/170944795.db2.gz TVTBUUHEKURQES-DYEKYZERSA-N 1 0 263.381 3.315 10 0 CGAERO Cc1cccc([C@@H]([NH3+])c2ccc3c(c2)CCO3)c1C ZINC000019971031 170954577 /nfs/dbraw/zinc/95/45/77/170954577.db2.gz KQUKQZNCVSZBGT-KRWDZBQOSA-N 1 0 253.345 3.286 10 0 CGAERO COc1ccc([C@H]([NH3+])Cc2ccccc2F)c(C)c1 ZINC000019972064 170955910 /nfs/dbraw/zinc/95/59/10/170955910.db2.gz VGMNKZLGSZTTOH-MRXNPFEDSA-N 1 0 259.324 3.385 10 0 CGAERO C[C@@H]1CCCC[C@]1(C[NH3+])N1CCCc2ccccc21 ZINC000019981404 170959364 /nfs/dbraw/zinc/95/93/64/170959364.db2.gz VBZFVZGZBIQJCM-RHSMWYFYSA-N 1 0 258.409 3.347 10 0 CGAERO CCCCC[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000020123178 171004358 /nfs/dbraw/zinc/00/43/58/171004358.db2.gz VOKBUMIBSXPCFT-AWEZNQCLSA-N 1 0 250.386 3.196 10 0 CGAERO CC(C)[C@@H](C[NH2+]Cc1ccc(Br)cc1)N(C)C ZINC000020145403 171030163 /nfs/dbraw/zinc/03/01/63/171030163.db2.gz PCXLTSSTWLRFQC-CQSZACIVSA-N 1 0 299.256 3.125 10 0 CGAERO CC[C@@H]([NH2+]C[C@H](C(C)C)N(C)C)c1ccc(O)cc1 ZINC000020145695 171030788 /nfs/dbraw/zinc/03/07/88/171030788.db2.gz FXLCWIZMSKIIGY-HZPDHXFCSA-N 1 0 264.413 3.019 10 0 CGAERO COc1ccccc1CN(C)[C@@H](C[NH3+])c1ccc(C)cc1 ZINC000020225558 171087888 /nfs/dbraw/zinc/08/78/88/171087888.db2.gz MGDIPZZTXIJOBG-KRWDZBQOSA-N 1 0 284.403 3.135 10 0 CGAERO CN(CCc1ccccc1)[C@@H](C[NH3+])c1ccccc1F ZINC000020225632 171088018 /nfs/dbraw/zinc/08/80/18/171088018.db2.gz FSDWHOXRNJMNKZ-KRWDZBQOSA-N 1 0 272.367 3.000 10 0 CGAERO CCOc1ccc([C@H](C[NH3+])N(C)CC(C)(C)C)cc1 ZINC000020226255 171092162 /nfs/dbraw/zinc/09/21/62/171092162.db2.gz AEYKZLXGFXKDSB-HNNXBMFYSA-N 1 0 264.413 3.063 10 0 CGAERO Cc1cc(C)cc(N(CCC[NH3+])C(=O)CC(C)C)c1 ZINC000020234258 171095355 /nfs/dbraw/zinc/09/53/55/171095355.db2.gz YIDCUHVBGRXZGA-UHFFFAOYSA-N 1 0 262.397 3.031 10 0 CGAERO Cc1cccc(N(CCC[NH3+])Cc2ccccc2)c1 ZINC000020237007 171096149 /nfs/dbraw/zinc/09/61/49/171096149.db2.gz YZTLKIDUYOCXTE-UHFFFAOYSA-N 1 0 254.377 3.350 10 0 CGAERO CCN(CC[NH3+])c1ccc(Oc2ccccc2)cc1 ZINC000020240088 171096915 /nfs/dbraw/zinc/09/69/15/171096915.db2.gz WMMQXFBJIXKAFU-UHFFFAOYSA-N 1 0 256.349 3.264 10 0 CGAERO CC(C)c1ccc(N(CC[NH3+])Cc2ccco2)cc1 ZINC000020238946 171096939 /nfs/dbraw/zinc/09/69/39/171096939.db2.gz QZOPEZFGGPBKRF-UHFFFAOYSA-N 1 0 258.365 3.368 10 0 CGAERO [NH3+]C[C@H](c1c(Cl)cccc1Cl)N1CCSCC1 ZINC000020257152 171111563 /nfs/dbraw/zinc/11/15/63/171111563.db2.gz QGIBKZWHHWIJOX-LLVKDONJSA-N 1 0 291.247 3.042 10 0 CGAERO CCOC[C@@H]([NH3+])c1ccc2c(c1)Cc1ccccc1-2 ZINC000020262416 171119917 /nfs/dbraw/zinc/11/99/17/171119917.db2.gz DTEDIKFVMDBACH-QGZVFWFLSA-N 1 0 253.345 3.294 10 0 CGAERO Cc1nc(-c2ccc(Cl)cc2)sc1CC[NH3+] ZINC000020273816 171131093 /nfs/dbraw/zinc/13/10/93/171131093.db2.gz XHZUARNHPXXXLP-UHFFFAOYSA-N 1 0 252.770 3.273 10 0 CGAERO CCC[C@H](C)NC(=O)[C@H](C)Oc1ccc([C@@H]([NH3+])CC)cc1 ZINC000020419540 171184600 /nfs/dbraw/zinc/18/46/00/171184600.db2.gz KRQQUJMMISTEOE-XEZPLFJOSA-N 1 0 292.423 3.169 10 0 CGAERO Cc1ccc([C@H]([NH3+])Cc2nc3ccccc3s2)o1 ZINC000020428112 171193647 /nfs/dbraw/zinc/19/36/47/171193647.db2.gz ZIEPUBLCCPYKBR-SNVBAGLBSA-N 1 0 258.346 3.440 10 0 CGAERO [NH3+][C@@H](Cc1ccccn1)c1cccc(Br)c1 ZINC000020428953 171194070 /nfs/dbraw/zinc/19/40/70/171194070.db2.gz OTZNFWPXRDGWQT-ZDUSSCGKSA-N 1 0 277.165 3.087 10 0 CGAERO [NH3+][C@@H](Cc1ccccn1)c1cc(F)ccc1Br ZINC000020429180 171194570 /nfs/dbraw/zinc/19/45/70/171194570.db2.gz AINIDHUPZUPGGT-ZDUSSCGKSA-N 1 0 295.155 3.226 10 0 CGAERO Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C[NH3+] ZINC000020469871 171211737 /nfs/dbraw/zinc/21/17/37/171211737.db2.gz CQMLZMGBHCWVPD-UHFFFAOYSA-N 1 0 286.162 3.286 10 0 CGAERO CCCC[NH+](CCCC)[C@H](CN)Cc1ccccc1 ZINC000020485038 171224192 /nfs/dbraw/zinc/22/41/92/171224192.db2.gz KXOKJAIBKJFHGD-KRWDZBQOSA-N 1 0 262.441 3.459 10 0 CGAERO C[C@H]([NH3+])c1cc(F)ccc1OCC(F)(F)C(F)F ZINC000020518292 171233129 /nfs/dbraw/zinc/23/31/29/171233129.db2.gz MHGDUBBQJNJZMK-LURJTMIESA-N 1 0 269.213 3.125 10 0 CGAERO CC[C@H](c1cccc(Cl)c1)N1CCC([NH3+])CC1 ZINC000020521475 171235159 /nfs/dbraw/zinc/23/51/59/171235159.db2.gz ZWRTXXDVHZLMFM-CQSZACIVSA-N 1 0 252.789 3.214 10 0 CGAERO CCC[C@H]([NH3+])c1ccc(OC)c(Br)c1 ZINC000020522076 171235439 /nfs/dbraw/zinc/23/54/39/171235439.db2.gz HLFCBCPVFMWPJO-JTQLQIEISA-N 1 0 258.159 3.258 10 0 CGAERO Cc1ccc(COc2cccc(C[NH2+]CCN(C)C)c2)cc1 ZINC000020874511 171277098 /nfs/dbraw/zinc/27/70/98/171277098.db2.gz WEJNFNZZTFWZKN-UHFFFAOYSA-N 1 0 298.430 3.225 10 0 CGAERO CCC(CC)C[NH2+]CCCN1CCc2ccccc21 ZINC000021033440 171291889 /nfs/dbraw/zinc/29/18/89/171291889.db2.gz JOUNCEZUBPGIDS-UHFFFAOYSA-N 1 0 260.425 3.465 10 0 CGAERO CC(C)[C@@H](C[NH2+][C@@H]1CCCC[C@@H]1C)N1CCCC1 ZINC000021513337 171311247 /nfs/dbraw/zinc/31/12/47/171311247.db2.gz IAJNSFCJCVCRLM-ARFHVFGLSA-N 1 0 252.446 3.275 10 0 CGAERO [NH3+][C@H](Cc1nc(-c2cccs2)no1)c1ccccc1 ZINC000021515475 171311797 /nfs/dbraw/zinc/31/17/97/171311797.db2.gz OJSYWDQYSMVLJI-LLVKDONJSA-N 1 0 271.345 3.041 10 0 CGAERO CC(C)[C@@H]([C@@H](N)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000021808007 171328129 /nfs/dbraw/zinc/32/81/29/171328129.db2.gz OHQXKGZSAWRRHV-IRXDYDNUSA-N 1 0 260.425 3.443 10 0 CGAERO [NH3+]Cc1ccccc1Oc1ccc2ccccc2n1 ZINC000022144747 171356154 /nfs/dbraw/zinc/35/61/54/171356154.db2.gz OPJBMCBNQIJOFB-UHFFFAOYSA-N 1 0 250.301 3.486 10 0 CGAERO [NH3+]C[C@@H](c1ccc(OC(F)F)cc1)N1CCCCCC1 ZINC000022175862 171370419 /nfs/dbraw/zinc/37/04/19/171370419.db2.gz LRGRLPMSWVKXMD-AWEZNQCLSA-N 1 0 284.350 3.164 10 0 CGAERO CCOc1ccccc1[C@H](C[NH3+])N1C[C@H](C)C[C@@H](C)C1 ZINC000022219317 171377420 /nfs/dbraw/zinc/37/74/20/171377420.db2.gz BMBPIZPLSGZGKK-FMKPAKJESA-N 1 0 276.424 3.063 10 0 CGAERO [NH3+]C[C@@H](c1cccc(C(F)(F)F)c1)N1CCCCC1 ZINC000022220553 171377609 /nfs/dbraw/zinc/37/76/09/171377609.db2.gz MEYNDOTTZUHWFL-ZDUSSCGKSA-N 1 0 272.314 3.191 10 0 CGAERO Cc1ccsc1[C@H](CN)[N@@H+](C)C1CCCCC1 ZINC000022221901 171378250 /nfs/dbraw/zinc/37/82/50/171378250.db2.gz GZEIKSRPTHTDRX-ZDUSSCGKSA-N 1 0 252.427 3.321 10 0 CGAERO Cc1c(N)cccc1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000022223713 171379738 /nfs/dbraw/zinc/37/97/38/171379738.db2.gz ROTGWKJRWGFMEG-UHFFFAOYSA-N 1 0 289.423 3.170 10 0 CGAERO COc1cccc([C@H]([NH3+])COc2ccc(C)c(C)c2)c1 ZINC000022563954 171391168 /nfs/dbraw/zinc/39/11/68/171391168.db2.gz JUGGKMAMAGXGJF-QGZVFWFLSA-N 1 0 271.360 3.391 10 0 CGAERO COc1ccc(O[C@@H](C)[C@H]([NH3+])c2ccc(OC)cc2)cc1 ZINC000023069408 171409319 /nfs/dbraw/zinc/40/93/19/171409319.db2.gz VZFZBIJEPYNGJJ-SJCJKPOMSA-N 1 0 287.359 3.171 10 0 CGAERO O[C@H]1CCCC[C@H]1[NH+]1CCC(Cc2ccccc2)CC1 ZINC000028236646 171552691 /nfs/dbraw/zinc/55/26/91/171552691.db2.gz ZENDJZOIUGRXAX-MSOLQXFVSA-N 1 0 273.420 3.245 10 0 CGAERO COc1ccc(O[C@H](CC[NH3+])c2ccccc2)cc1 ZINC000032110294 171702631 /nfs/dbraw/zinc/70/26/31/171702631.db2.gz POWQULHCAKMGCO-MRXNPFEDSA-N 1 0 257.333 3.164 10 0 CGAERO CCN(CC)C(=O)[C@H](C)[NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000035224416 172068740 /nfs/dbraw/zinc/06/87/40/172068740.db2.gz IWXZTAAYVFHPRB-JONQDZQNSA-N 1 0 280.456 3.192 10 0 CGAERO CCC[C@@H]([NH2+][C@@H](C)C(=O)N(CC)CC)c1ccccc1 ZINC000035224748 172069394 /nfs/dbraw/zinc/06/93/94/172069394.db2.gz RNFLXZPDRSNLOW-GOEBONIOSA-N 1 0 276.424 3.374 10 0 CGAERO Cc1cc([C@H]2C[NH2+]C[C@@H](c3ccccc3)O2)c(C)o1 ZINC000035285226 172103483 /nfs/dbraw/zinc/10/34/83/172103483.db2.gz XFSXXLWNDTWFBN-JKSUJKDBSA-N 1 0 257.333 3.299 10 0 CGAERO Fc1cccc([C@@H]2C[NH2+]C[C@H](c3ccccc3)O2)c1 ZINC000035285297 172103798 /nfs/dbraw/zinc/10/37/98/172103798.db2.gz MLSCMMALTGXXRQ-CVEARBPZSA-N 1 0 257.308 3.228 10 0 CGAERO C[NH2+][C@H](c1ccoc1)c1ccc(OC)c(Br)c1 ZINC000035455009 172206759 /nfs/dbraw/zinc/20/67/59/172206759.db2.gz DNAHFWUHMJEFKK-ZDUSSCGKSA-N 1 0 296.164 3.360 10 0 CGAERO C[NH2+][C@H](C)c1cc(Cl)cc(Br)c1OC ZINC000035458140 172207660 /nfs/dbraw/zinc/20/76/60/172207660.db2.gz FOEFEPQGFFHPLS-ZCFIWIBFSA-N 1 0 278.577 3.392 10 0 CGAERO C[NH2+][C@H](CCC(C)C)c1ccc(OC)c(OC)c1 ZINC000035463277 172210617 /nfs/dbraw/zinc/21/06/17/172210617.db2.gz QHHHZDJYUCDUFR-CYBMUJFWSA-N 1 0 251.370 3.401 10 0 CGAERO C[NH2+][C@H](c1cccc(OC)c1)c1ccc(F)cc1F ZINC000035491944 172226794 /nfs/dbraw/zinc/22/67/94/172226794.db2.gz IAAIREMKTXNRRB-OAHLLOKOSA-N 1 0 263.287 3.282 10 0 CGAERO C[NH2+][C@@H](Cc1ncc[nH]1)c1ccc2ccccc2c1 ZINC000035504227 172237853 /nfs/dbraw/zinc/23/78/53/172237853.db2.gz BPAKCIPEBLNKHZ-HNNXBMFYSA-N 1 0 251.333 3.066 10 0 CGAERO C[NH2+][C@H](c1cccs1)c1ccc2c(c1)C[C@H](C)O2 ZINC000035504469 172238247 /nfs/dbraw/zinc/23/82/47/172238247.db2.gz XUBWOLSZVZMRAS-BONVTDFDSA-N 1 0 259.374 3.380 10 0 CGAERO C[NH2+][C@@H](c1ccccc1)c1ccc2c(c1)C[C@@H](C)O2 ZINC000035504587 172238321 /nfs/dbraw/zinc/23/83/21/172238321.db2.gz XNNYUJNSCASZDT-PXAZEXFGSA-N 1 0 253.345 3.319 10 0 CGAERO C[NH2+][C@H](c1cccs1)c1ccc(OC)c(F)c1 ZINC000035507495 172240059 /nfs/dbraw/zinc/24/00/59/172240059.db2.gz GEMOFEHZTWQYPB-ZDUSSCGKSA-N 1 0 251.326 3.205 10 0 CGAERO CC[NH2+][C@@H](CC(C)C)c1cc(OC)ccc1OC ZINC000035541465 172248953 /nfs/dbraw/zinc/24/89/53/172248953.db2.gz SPPZZGJVQOHDRU-AWEZNQCLSA-N 1 0 251.370 3.401 10 0 CGAERO CC[NH2+][C@@H](c1cccs1)c1ccc2c(c1)OCCO2 ZINC000035544957 172252531 /nfs/dbraw/zinc/25/25/31/172252531.db2.gz MDWYUDXDEWRDNS-OAHLLOKOSA-N 1 0 275.373 3.218 10 0 CGAERO CCC[NH2+][C@H](Cc1ncc[nH]1)c1ccc(Cl)cc1F ZINC000035586496 172286017 /nfs/dbraw/zinc/28/60/17/172286017.db2.gz ANGGTMREPLJSFZ-CYBMUJFWSA-N 1 0 281.762 3.486 10 0 CGAERO Brc1ccc2oc([C@H]3C[NH2+]CCCO3)cc2c1 ZINC000035598734 172287962 /nfs/dbraw/zinc/28/79/62/172287962.db2.gz RISMHZKWRIZOJD-CYBMUJFWSA-N 1 0 296.164 3.246 10 0 CGAERO C[NH2+][C@H](C)c1ccccc1NC(=O)c1occc1C ZINC000035643394 172321253 /nfs/dbraw/zinc/32/12/53/172321253.db2.gz OMBSHAFJUBXEDC-LLVKDONJSA-N 1 0 258.321 3.121 10 0 CGAERO CCOCCOc1c(Cl)cc(Cl)cc1C[NH2+]C ZINC000035661979 172340235 /nfs/dbraw/zinc/34/02/35/172340235.db2.gz ZPKCQILTTZKBNZ-UHFFFAOYSA-N 1 0 278.179 3.128 10 0 CGAERO [NH3+]Cc1ccc(Oc2ccccc2Br)nc1 ZINC000035719779 172374429 /nfs/dbraw/zinc/37/44/29/172374429.db2.gz CDCZGKCTSGALTQ-UHFFFAOYSA-N 1 0 279.137 3.095 10 0 CGAERO Cc1cnn(C)c1C[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000285369698 196263342 /nfs/dbraw/zinc/26/33/42/196263342.db2.gz FWFKBYNBMQMLCD-SNVBAGLBSA-N 1 0 281.762 3.372 10 0 CGAERO CCC[C@@H]1[C@H](C)CCC[N@@H+]1C[C@H](O)COC(C)(C)C ZINC000126595097 287269043 /nfs/dbraw/zinc/26/90/43/287269043.db2.gz ZEVFRADMRGMSLO-QLFBSQMISA-N 1 0 271.445 3.063 10 0 CGAERO CC(C)(C)[C@@H]1CCCC[C@@]1([NH3+])c1noc(C2CC2)n1 ZINC000036764204 172683072 /nfs/dbraw/zinc/68/30/72/172683072.db2.gz XQUAQIBUZMKFBC-NHYWBVRUSA-N 1 0 263.385 3.337 10 0 CGAERO CCc1ccc(-n2c(N)[nH+]c3cc(C)ccc32)cc1 ZINC000036899444 172789550 /nfs/dbraw/zinc/78/95/50/172789550.db2.gz VARZRPVQIPMHCV-UHFFFAOYSA-N 1 0 251.333 3.479 10 0 CGAERO O[C@H]1CCC[C@H]([NH2+]Cc2ccccc2C(F)(F)F)C1 ZINC000037164358 172999901 /nfs/dbraw/zinc/99/99/01/172999901.db2.gz AMCBBOIMOUZAKG-RYUDHWBXSA-N 1 0 273.298 3.099 10 0 CGAERO Cn1ccnc1[C@@H]([NH2+]C1CCCCC1)c1cccs1 ZINC000037185966 173017451 /nfs/dbraw/zinc/01/74/51/173017451.db2.gz OJCBTBDKLYWUFQ-AWEZNQCLSA-N 1 0 275.421 3.493 10 0 CGAERO CCC(CC)[C@@H](CN[C@@H](C)c1scnc1C)[NH+](C)C ZINC000037241182 173057711 /nfs/dbraw/zinc/05/77/11/173057711.db2.gz OIROQMYLSSYWEH-SMDDNHRTSA-N 1 0 283.485 3.469 10 0 CGAERO CC[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1)C(C)C ZINC000037295819 173099819 /nfs/dbraw/zinc/09/98/19/173099819.db2.gz KJSDXBJWQXBFPK-IAGOWNOFSA-N 1 0 260.425 3.285 10 0 CGAERO [NH3+][C@H](c1cnn(-c2ccccc2)c1)c1ccc(F)cc1 ZINC000037308969 173112092 /nfs/dbraw/zinc/11/20/92/173112092.db2.gz YDXDJPBVYLCUHD-INIZCTEOSA-N 1 0 267.307 3.060 10 0 CGAERO CC[N@H+](CC(=O)c1ccc(F)cc1F)C1CCCC1 ZINC000037337568 173138354 /nfs/dbraw/zinc/13/83/54/173138354.db2.gz JPZNWYPHJXDOOD-UHFFFAOYSA-N 1 0 267.319 3.412 10 0 CGAERO O[C@@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000037378038 173166369 /nfs/dbraw/zinc/16/63/69/173166369.db2.gz PLITWGRAFLODBE-SKDRFNHKSA-N 1 0 260.164 3.026 10 0 CGAERO CSCC[C@H]([NH3+])c1nc2cc(C)ccc2n1C1CC1 ZINC000037438700 173209516 /nfs/dbraw/zinc/20/95/16/173209516.db2.gz JMMLBAICMFCFOX-LBPRGKRZSA-N 1 0 275.421 3.433 10 0 CGAERO CC[C@@H](C)[C@H]([NH3+])c1nc2cc(Cl)ccc2n1C ZINC000037440277 173210351 /nfs/dbraw/zinc/21/03/51/173210351.db2.gz YRROOHRCFIEEFW-PELKAZGASA-N 1 0 251.761 3.273 10 0 CGAERO COc1ccccc1[C@@](C)([NH3+])Cc1cccc(F)c1 ZINC000037531547 173253274 /nfs/dbraw/zinc/25/32/74/173253274.db2.gz MVNQVIJROWNZFX-INIZCTEOSA-N 1 0 259.324 3.251 10 0 CGAERO C[NH2+][C@H](Cc1ccccc1Br)c1ccccn1 ZINC000037534456 173254223 /nfs/dbraw/zinc/25/42/23/173254223.db2.gz FRHANMLUJSGGKP-CQSZACIVSA-N 1 0 291.192 3.347 10 0 CGAERO CC[C@H]([NH3+])c1ccc(OCCc2ccncc2)cc1 ZINC000037662736 173607916 /nfs/dbraw/zinc/60/79/16/173607916.db2.gz HCFVTYUMMQFLJM-INIZCTEOSA-N 1 0 256.349 3.113 10 0 CGAERO CCCOc1ccc(C[C@H]([NH3+])CC)c(OC(F)F)c1 ZINC000037722318 173640952 /nfs/dbraw/zinc/64/09/52/173640952.db2.gz FEJYAVWUZJDIFN-LLVKDONJSA-N 1 0 273.323 3.357 10 0 CGAERO CCCOc1ccc(C[C@@H]([NH3+])CC)c(OC(F)F)c1 ZINC000037722319 173640974 /nfs/dbraw/zinc/64/09/74/173640974.db2.gz FEJYAVWUZJDIFN-NSHDSACASA-N 1 0 273.323 3.357 10 0 CGAERO Cc1cccc(COc2cccc(C[C@@H](C)[NH3+])c2)c1 ZINC000037726424 173645240 /nfs/dbraw/zinc/64/52/40/173645240.db2.gz SETCOAPNWKYYKB-CQSZACIVSA-N 1 0 255.361 3.464 10 0 CGAERO O[C@@H](C[NH2+]CCC1CCCC1)c1cccc(F)c1 ZINC000037741211 173662711 /nfs/dbraw/zinc/66/27/11/173662711.db2.gz FAUYBYAGJHJXJE-HNNXBMFYSA-N 1 0 251.345 3.029 10 0 CGAERO Cc1nnc(NC[C@H](C)[NH+]2CCCCC2)c2ccccc12 ZINC000038029267 174019886 /nfs/dbraw/zinc/01/98/86/174019886.db2.gz VOECAXOMDIHFKN-ZDUSSCGKSA-N 1 0 284.407 3.225 10 0 CGAERO CCC[NH2+][C@@H](CO)c1ccc(-c2ccccc2)cc1 ZINC000038123386 174130433 /nfs/dbraw/zinc/13/04/33/174130433.db2.gz SRNONGRVZHDVEC-KRWDZBQOSA-N 1 0 255.361 3.387 10 0 CGAERO C[NH2+][C@H](Cc1ccccc1OC)c1cc(C)oc1C ZINC000038135003 174132222 /nfs/dbraw/zinc/13/22/22/174132222.db2.gz GPGNPZHVRTZCDQ-OAHLLOKOSA-N 1 0 259.349 3.408 10 0 CGAERO COCCCn1c2ccccc2nc1[C@H]([NH3+])CC(C)C ZINC000040163872 174196754 /nfs/dbraw/zinc/19/67/54/174196754.db2.gz FLQSKBOFLFKQLR-CYBMUJFWSA-N 1 0 275.396 3.119 10 0 CGAERO CC[NH+](CC)CCCn1cnc2ccc(Cl)cc21 ZINC000040403680 174253642 /nfs/dbraw/zinc/25/36/42/174253642.db2.gz ZIWUYUSBFVGSJN-UHFFFAOYSA-N 1 0 265.788 3.422 10 0 CGAERO CC1CC[NH+](CCNc2cccc(Cl)c2)CC1 ZINC000041322929 174519733 /nfs/dbraw/zinc/51/97/33/174519733.db2.gz IAXPCZZNBOWSPL-UHFFFAOYSA-N 1 0 252.789 3.484 10 0 CGAERO Cc1ccccc1C[C@@H](C[NH3+])Cc1cccc(F)c1 ZINC000041328319 174525099 /nfs/dbraw/zinc/52/50/99/174525099.db2.gz CUOVXQCBLLPLLK-HNNXBMFYSA-N 1 0 257.352 3.494 10 0 CGAERO COc1ccccc1C[C@@H](C[NH3+])Cc1ccccc1C ZINC000041390254 174544492 /nfs/dbraw/zinc/54/44/92/174544492.db2.gz CJKWGKYOSUDIPX-HNNXBMFYSA-N 1 0 269.388 3.364 10 0 CGAERO C[NH2+][C@@H]1CCC[C@H]1Cc1cc(Cl)ccc1OC ZINC000042398255 174709657 /nfs/dbraw/zinc/70/96/57/174709657.db2.gz RTHVVULKNQNFOD-GXFFZTMASA-N 1 0 253.773 3.279 10 0 CGAERO CC[C@@H]([NH3+])[C@H](OCC(F)(F)F)c1ccc(C)cc1 ZINC000042916062 174916271 /nfs/dbraw/zinc/91/62/71/174916271.db2.gz WLKKXZKDUNRPCI-VXGBXAGGSA-N 1 0 261.287 3.352 10 0 CGAERO CCOC(=O)CS[C@H](c1ccc(C)cc1)[C@H]([NH3+])CC ZINC000042943823 174919170 /nfs/dbraw/zinc/91/91/70/174919170.db2.gz JSVSLTZMSKDMFY-UKRRQHHQSA-N 1 0 281.421 3.070 10 0 CGAERO Cc1nnc(S[C@@H](c2ccc(F)cc2)[C@H](C)[NH3+])s1 ZINC000042943886 174919424 /nfs/dbraw/zinc/91/94/24/174919424.db2.gz TWHOUKNJHZGALU-WRWORJQWSA-N 1 0 283.397 3.166 10 0 CGAERO CCN(CC(F)(F)F)[C@H](c1ccccc1C)[C@@H](C)[NH3+] ZINC000043037529 174952143 /nfs/dbraw/zinc/95/21/43/174952143.db2.gz SRQDIPCPVDBMAD-YPMHNXCESA-N 1 0 274.330 3.268 10 0 CGAERO CC[C@H]([NH3+])[C@@H](c1ccccc1Cl)n1cc(C)cn1 ZINC000043053233 174960700 /nfs/dbraw/zinc/96/07/00/174960700.db2.gz VMCMWQGSHJTMNG-UONOGXRCSA-N 1 0 263.772 3.172 10 0 CGAERO C[C@@H]([NH3+])[C@@H](c1ccccc1Cl)n1cc(Cl)cn1 ZINC000043053250 174961091 /nfs/dbraw/zinc/96/10/91/174961091.db2.gz KVZVBSRNWUDGMJ-PELKAZGASA-N 1 0 270.163 3.127 10 0 CGAERO CCOCCO[C@H](c1ccccc1Cl)[C@@H]([NH3+])CC ZINC000043087439 174962602 /nfs/dbraw/zinc/96/26/02/174962602.db2.gz DJMRXCHOFGIOQW-UONOGXRCSA-N 1 0 271.788 3.172 10 0 CGAERO CCOc1ccc([C@@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000044113732 175141228 /nfs/dbraw/zinc/14/12/28/175141228.db2.gz HIRILQCZMQBQQV-VBQJREDUSA-N 1 0 277.408 3.097 10 0 CGAERO COc1ccc([C@@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)c(OC)c1 ZINC000044121557 175142621 /nfs/dbraw/zinc/14/26/21/175142621.db2.gz SQUHNHLAWRWHOC-XEZPLFJOSA-N 1 0 293.407 3.000 10 0 CGAERO C[NH2+]Cc1sc(Oc2ccccc2)nc1Cl ZINC000045206334 175328531 /nfs/dbraw/zinc/32/85/31/175328531.db2.gz UYVVSXNKHRSQNR-UHFFFAOYSA-N 1 0 254.742 3.308 10 0 CGAERO C[C@@H](Oc1cc(F)ccc1F)[C@@H]([NH3+])c1ccccc1 ZINC000071167662 176049650 /nfs/dbraw/zinc/04/96/50/176049650.db2.gz JBMJGTORQAQZTN-MEBBXXQBSA-N 1 0 263.287 3.432 10 0 CGAERO CCOC(=O)CCCCC[NH2+][C@H](C)c1ccc(C)o1 ZINC000071293671 176111718 /nfs/dbraw/zinc/11/17/18/176111718.db2.gz KYJAFZPWBFPQFR-CYBMUJFWSA-N 1 0 267.369 3.362 10 0 CGAERO C[C@@H](Cc1ccc(F)cc1)NC1=[NH+]C[C@H](C2CC2)S1 ZINC000071308102 176116166 /nfs/dbraw/zinc/11/61/66/176116166.db2.gz XTRIULMLZHPRIY-IINYFYTJSA-N 1 0 278.396 3.228 10 0 CGAERO Fc1ccc(CNC2=[NH+]C[C@H](C3CC3)S2)cc1Cl ZINC000071308014 176116302 /nfs/dbraw/zinc/11/63/02/176116302.db2.gz WESMDYSMSAPERQ-GFCCVEGCSA-N 1 0 284.787 3.450 10 0 CGAERO CCCc1ccc([C@@H](C)N(CC)[C@@H]2CC[NH2+]C2)cc1 ZINC000071311919 176118650 /nfs/dbraw/zinc/11/86/50/176118650.db2.gz GXHJUKBTOXAMRE-RHSMWYFYSA-N 1 0 260.425 3.384 10 0 CGAERO C[NH2+]C1(c2cccc(Br)c2)CCCC1 ZINC000071575394 176202968 /nfs/dbraw/zinc/20/29/68/176202968.db2.gz HZRWOWGVDLPWKJ-UHFFFAOYSA-N 1 0 254.171 3.438 10 0 CGAERO CC(C)[C@@H]([NH3+])[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000071576727 176204677 /nfs/dbraw/zinc/20/46/77/176204677.db2.gz RDKDFZBHDVUULD-IAGOWNOFSA-N 1 0 255.361 3.370 10 0 CGAERO COc1ccc([C@H]2CCCC[NH2+]2)cc1Br ZINC000071601410 176228196 /nfs/dbraw/zinc/22/81/96/176228196.db2.gz FGSJHLVCFHUINN-LLVKDONJSA-N 1 0 270.170 3.272 10 0 CGAERO CCOc1cc(C)c([C@H](CO)[NH2+]C(C)C)cc1Cl ZINC000071611256 176231751 /nfs/dbraw/zinc/23/17/51/176231751.db2.gz XPZXCQSFFDWMOM-ZDUSSCGKSA-N 1 0 271.788 3.079 10 0 CGAERO Cc1cc(Cl)ccc1C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000128910245 287320327 /nfs/dbraw/zinc/32/03/27/287320327.db2.gz AYKABVLPQYPAQR-BXUZGUMPSA-N 1 0 253.773 3.306 10 0 CGAERO Cc1ccc(CC[C@@H](CC[NH3+])c2ccncc2)cc1 ZINC000076658515 177047528 /nfs/dbraw/zinc/04/75/28/177047528.db2.gz YXZCOBZEFUHKFW-INIZCTEOSA-N 1 0 254.377 3.455 10 0 CGAERO Cc1cccc(C)c1OC[C@H](CC[NH3+])c1ccc[nH]1 ZINC000076667549 177051445 /nfs/dbraw/zinc/05/14/45/177051445.db2.gz PGDCPCQEYIQJMO-AWEZNQCLSA-N 1 0 258.365 3.143 10 0 CGAERO [NH3+]C[C@@H](CCOc1ccccc1)c1ccccc1F ZINC000076668506 177052434 /nfs/dbraw/zinc/05/24/34/177052434.db2.gz YKUXKJSSIKMOTG-CYBMUJFWSA-N 1 0 259.324 3.337 10 0 CGAERO [NH3+]C[C@@H](CCOc1ccccc1)c1cccc(F)c1 ZINC000076668534 177052463 /nfs/dbraw/zinc/05/24/63/177052463.db2.gz MTGURBYJYFZJEV-CQSZACIVSA-N 1 0 259.324 3.337 10 0 CGAERO [NH3+]CC[C@@H](COc1ccccc1)c1cccc(F)c1 ZINC000076668584 177052561 /nfs/dbraw/zinc/05/25/61/177052561.db2.gz OVOKMDKHCIETDP-AWEZNQCLSA-N 1 0 259.324 3.337 10 0 CGAERO Cc1cccc(NC(=O)CC[C@H](C[NH3+])C(C)C)c1C ZINC000076676073 177056119 /nfs/dbraw/zinc/05/61/19/177056119.db2.gz FATJFRUIFCEPKI-CQSZACIVSA-N 1 0 262.397 3.253 10 0 CGAERO COc1ccc(OC)c([C@H](CC[NH3+])C2CCCC2)c1 ZINC000076678557 177056891 /nfs/dbraw/zinc/05/68/91/177056891.db2.gz FDSKASZQNAESNL-CQSZACIVSA-N 1 0 263.381 3.326 10 0 CGAERO COc1cc([C@H](CC[NH3+])C(C)(C)C)c(OC)cc1C ZINC000076681781 177058935 /nfs/dbraw/zinc/05/89/35/177058935.db2.gz UWWOBNSLPRCKHP-ZDUSSCGKSA-N 1 0 265.397 3.491 10 0 CGAERO CCC[C@H](CC[NH3+])C(=O)Nc1ccc(C)c(Cl)c1 ZINC000076705943 177065274 /nfs/dbraw/zinc/06/52/74/177065274.db2.gz CBPCXSJOWDKPCY-LLVKDONJSA-N 1 0 268.788 3.352 10 0 CGAERO CC[C@@H](CCC[NH3+])C(=O)Nc1ccc(C)c(Cl)c1 ZINC000076706027 177065283 /nfs/dbraw/zinc/06/52/83/177065283.db2.gz PLLVKEYUCWVKES-NSHDSACASA-N 1 0 268.788 3.352 10 0 CGAERO CCCCN(CC[NH3+])c1cccc(Br)c1 ZINC000076710976 177067647 /nfs/dbraw/zinc/06/76/47/177067647.db2.gz ZARYLBVQCUEGME-UHFFFAOYSA-N 1 0 271.202 3.014 10 0 CGAERO CC[C@H](C[NH3+])CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000076719121 177069570 /nfs/dbraw/zinc/06/95/70/177069570.db2.gz HNKLCPVBQBYNHI-VIFPVBQESA-N 1 0 274.286 3.019 10 0 CGAERO CC(C)C[C@@H](C[NH3+])CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000076800803 177099493 /nfs/dbraw/zinc/09/94/93/177099493.db2.gz UTETZEBLXORAHB-SNVBAGLBSA-N 1 0 286.778 3.429 10 0 CGAERO O[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000311129611 416532295 /nfs/dbraw/zinc/53/22/95/416532295.db2.gz QNMMZCTYRVNPQI-RRFJBIMHSA-N 1 0 251.414 3.383 10 0 CGAERO CC(C)COc1ccc([C@@H](C)[NH2+]C2CSC2)cc1 ZINC000679840814 543664097 /nfs/dbraw/zinc/66/40/97/543664097.db2.gz NNOVNHXBUABVNR-GFCCVEGCSA-N 1 0 265.422 3.487 10 0 CGAERO CCCC[C@H](C[NH3+])NC(=O)C1(CC(C)C)CCCC1 ZINC000130346449 287352905 /nfs/dbraw/zinc/35/29/05/287352905.db2.gz LUUMSXCCGZPHKP-CQSZACIVSA-N 1 0 268.445 3.227 10 0 CGAERO CC[NH+](CC)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000685960879 544111023 /nfs/dbraw/zinc/11/10/23/544111023.db2.gz GBFVKHNXLHCHGA-HNNXBMFYSA-N 1 0 270.417 3.118 10 0 CGAERO CC(C)[C@H]1C[NH2+][C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000725255596 544113362 /nfs/dbraw/zinc/11/33/62/544113362.db2.gz FQUHXTWUKWTFNR-CJNGLKHVSA-N 1 0 282.428 3.022 10 0 CGAERO CCC(C)(C)[C@H]1CCC(OC)(OC)[C@@H](CC[NH3+])C1 ZINC000725261909 544114280 /nfs/dbraw/zinc/11/42/80/544114280.db2.gz NCNJXVXLSBTWRI-STQMWFEESA-N 1 0 257.418 3.177 10 0 CGAERO C[C@@H]([NH2+]C1CC(CO)C1)c1cc(Cl)ccc1Cl ZINC000658350125 418945503 /nfs/dbraw/zinc/94/55/03/418945503.db2.gz BLAUJYQMYVZNRT-FKTRJACZSA-N 1 0 274.191 3.415 10 0 CGAERO CC[C@H]([NH2+]C1CC(CO)C1)c1ccc(Br)cc1 ZINC000658350099 418945713 /nfs/dbraw/zinc/94/57/13/418945713.db2.gz AXWRAIBLFCBTHS-DBRPNBKGSA-N 1 0 298.224 3.261 10 0 CGAERO C[C@H]([NH2+]C1CC(CO)C1)c1ccc(Cl)cc1Cl ZINC000658351151 418946416 /nfs/dbraw/zinc/94/64/16/418946416.db2.gz KMEZNIDIGLTAAT-SILCLGDVSA-N 1 0 274.191 3.415 10 0 CGAERO OCC1CC([NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC000658357153 418950677 /nfs/dbraw/zinc/95/06/77/418950677.db2.gz SCJXKQKWOKCXDD-OKEQZYBDSA-N 1 0 259.393 3.073 10 0 CGAERO CC1(C)CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC(C)(C)C1 ZINC000659357277 418979523 /nfs/dbraw/zinc/97/95/23/418979523.db2.gz GHAFHHHHDZPOMF-ZIAGYGMSSA-N 1 0 280.456 3.036 10 0 CGAERO CC(C)=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000660465445 419148130 /nfs/dbraw/zinc/14/81/30/419148130.db2.gz RNPTXJFOLKRWKA-ARFHVFGLSA-N 1 0 251.414 3.358 10 0 CGAERO CC(C)=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000660465455 419148391 /nfs/dbraw/zinc/14/83/91/419148391.db2.gz RNPTXJFOLKRWKA-XHSDSOJGSA-N 1 0 251.414 3.358 10 0 CGAERO Cc1c[nH]c(CN[C@H](C)c2cccc(Br)c2)n1 ZINC000657299638 419246116 /nfs/dbraw/zinc/24/61/16/419246116.db2.gz XHUQKBFXLPNMGO-SNVBAGLBSA-N 1 0 294.196 3.331 10 0 CGAERO CC[C@@H]1C[C@@H]([NH2+][C@H]2CC(C)(C)Oc3ccccc32)CO1 ZINC000657399137 419270046 /nfs/dbraw/zinc/27/00/46/419270046.db2.gz 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OC[C@H]1CCCC[C@@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000183716260 270056042 /nfs/dbraw/zinc/05/60/42/270056042.db2.gz WUDGUOSWDNCGGA-HHTDUIENSA-N 1 0 293.373 3.496 10 0 CGAERO CCCC[C@@H](CC)C[N@@H+]1CCN(CCOCC)[C@H](C)C1 ZINC000183613893 270056138 /nfs/dbraw/zinc/05/61/38/270056138.db2.gz AIZGZEGJGKQXTG-IAGOWNOFSA-N 1 0 284.488 3.245 10 0 CGAERO CCO[C@H]1C[C@H]([NH2+]CC2(CC(C)C)CC2)C12CCOCC2 ZINC000186418608 270066030 /nfs/dbraw/zinc/06/60/30/270066030.db2.gz PUYVUKWZHBFESA-HOTGVXAUSA-N 1 0 295.467 3.377 10 0 CGAERO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1nnc(C)n1CC ZINC000191829734 270076376 /nfs/dbraw/zinc/07/63/76/270076376.db2.gz FAICYERYJPNACX-KGLIPLIRSA-N 1 0 264.417 3.055 10 0 CGAERO Cc1ccc([C@@H](C)NCc2nc(-c3ccccc3)no2)o1 ZINC000193647789 270079557 /nfs/dbraw/zinc/07/95/57/270079557.db2.gz OKPIMMCQQYPCIT-GFCCVEGCSA-N 1 0 283.331 3.489 10 0 CGAERO CCN1CCC[C@@H]([NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC000250268269 270091281 /nfs/dbraw/zinc/09/12/81/270091281.db2.gz KUIMXQBVHVBNSM-HZPDHXFCSA-N 1 0 260.425 3.438 10 0 CGAERO C[C@@H]1CC(C[NH2+]Cc2ccncc2Cl)C[C@@H](C)O1 ZINC000527703970 270132538 /nfs/dbraw/zinc/13/25/38/270132538.db2.gz SGAADPGNIIFNLL-GHMZBOCLSA-N 1 0 268.788 3.028 10 0 CGAERO CC(C)(C)OC[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000246423540 287705957 /nfs/dbraw/zinc/70/59/57/287705957.db2.gz CGIJHXYLZFGYLP-ILXRZTDVSA-N 1 0 285.472 3.357 10 0 CGAERO C[NH2+]Cc1ccccc1NC(=O)c1cc(C)cc(C)c1 ZINC000036280519 273969006 /nfs/dbraw/zinc/96/90/06/273969006.db2.gz GJVGWUVXUVTBCF-UHFFFAOYSA-N 1 0 268.360 3.275 10 0 CGAERO CC[C@H](C(=O)N[C@H]1CC[C@@H](C)c2ccccc21)[NH+](C)C ZINC000246577455 287712341 /nfs/dbraw/zinc/71/23/41/287712341.db2.gz NEBSOAJXBKFSGD-UHOFOFEASA-N 1 0 274.408 3.081 10 0 CGAERO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)c1ccccc1N(C)C ZINC000179413221 274524025 /nfs/dbraw/zinc/52/40/25/274524025.db2.gz HMQCTTIAUBUASD-IRWQIABSSA-N 1 0 296.414 3.062 10 0 CGAERO O[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCCc2ccccc21 ZINC000246933093 275052954 /nfs/dbraw/zinc/05/29/54/275052954.db2.gz JDRDOMALHTYORN-HYVNUMGLSA-N 1 0 259.393 3.205 10 0 CGAERO CC(C)(C)OC(=O)N1CCC([C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000044135641 275518484 /nfs/dbraw/zinc/51/84/84/275518484.db2.gz YZOWCFCPXGMBFS-KGLIPLIRSA-N 1 0 282.428 3.151 10 0 CGAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)C1CCCCC1)CC2 ZINC000177275026 275776740 /nfs/dbraw/zinc/77/67/40/275776740.db2.gz OOBHYWQZDPWXQA-ZFWWWQNUSA-N 1 0 290.455 3.275 10 0 CGAERO CC(C)c1ccc([C@@H](C)NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089452747 276056179 /nfs/dbraw/zinc/05/61/79/276056179.db2.gz ZFUZAJRPVMSBCU-KBRIMQKVSA-N 1 0 288.435 3.362 10 0 CGAERO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C12CCC2 ZINC000343625887 276480278 /nfs/dbraw/zinc/48/02/78/276480278.db2.gz WTTHYNLVXRWROZ-XFIYOXNOSA-N 1 0 281.440 3.127 10 0 CGAERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(C)cc1C)CC2 ZINC000180608529 276695672 /nfs/dbraw/zinc/69/56/72/276695672.db2.gz NFVOTWZWHBMZRN-HUUCEWRRSA-N 1 0 298.434 3.123 10 0 CGAERO CC(C)(C)OC1CC([N@@H+]2CCC[C@@]3(CCCOC3)C2)C1 ZINC000335223361 277209584 /nfs/dbraw/zinc/20/95/84/277209584.db2.gz JHCHBJRYAVPCJF-VMBOVVBDSA-N 1 0 281.440 3.225 10 0 CGAERO CO[C@@H]1CC[N@H+](C[C@@H]2CCCC2(F)F)CC1(C)C ZINC000336296535 277292570 /nfs/dbraw/zinc/29/25/70/277292570.db2.gz WXHYRYABGTVUKD-NWDGAFQWSA-N 1 0 261.356 3.169 10 0 CGAERO COc1ccccc1CC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000245841904 277467372 /nfs/dbraw/zinc/46/73/72/277467372.db2.gz DQCKXZSFRRSQOP-DJIMGWMZSA-N 1 0 289.419 3.031 10 0 CGAERO COC1(C[NH2+][C@@H]2CCOc3ccccc32)CCCCC1 ZINC000319655835 277469278 /nfs/dbraw/zinc/46/92/78/277469278.db2.gz OCADRJTWPBMPNF-OAHLLOKOSA-N 1 0 275.392 3.449 10 0 CGAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCO[C@H](C)C1 ZINC000271954975 277949524 /nfs/dbraw/zinc/94/95/24/277949524.db2.gz CFULLRUCKIXZRH-IFIJOSMWSA-N 1 0 275.392 3.230 10 0 CGAERO C[C@@H]1NCCC[C@H]1[NH2+][C@H]1CCCC12CCCCC2 ZINC000396696648 288015502 /nfs/dbraw/zinc/01/55/02/288015502.db2.gz FINQEILKXUTNIK-ZNMIVQPWSA-N 1 0 250.430 3.220 10 0 CGAERO C[C@H]([NH2+]CC1(C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400400999 278255622 /nfs/dbraw/zinc/25/56/22/278255622.db2.gz KSLMWKLNTXILTO-STQMWFEESA-N 1 0 282.428 3.022 10 0 CGAERO CC(C)[C@H](C(=O)N[C@@H](C)c1ccc(Cl)s1)[C@@H](C)[NH3+] ZINC000399494733 288052157 /nfs/dbraw/zinc/05/21/57/288052157.db2.gz HTJIVWSIHRTVQO-PTRXPTGYSA-N 1 0 288.844 3.198 10 0 CGAERO CC1CC[NH+](CCN2CCCC[C@H]2c2nccs2)CC1 ZINC000153654078 278541306 /nfs/dbraw/zinc/54/13/06/278541306.db2.gz MSIVNQXJRYEOKI-HNNXBMFYSA-N 1 0 293.480 3.402 10 0 CGAERO C[C@](O)(C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)C1CCCCC1 ZINC000253350869 278555076 /nfs/dbraw/zinc/55/50/76/278555076.db2.gz CQQXQZPDAHBQAP-LHHMISFZSA-N 1 0 295.467 3.111 10 0 CGAERO CC[C@H]([NH2+][C@H]1CN(C(C)C)C[C@H]1C)c1ccccc1 ZINC000246208301 288091663 /nfs/dbraw/zinc/09/16/63/288091663.db2.gz JYURYJFCDCSJSE-PVAVHDDUSA-N 1 0 260.425 3.456 10 0 CGAERO C[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000336655124 279284415 /nfs/dbraw/zinc/28/44/15/279284415.db2.gz FUORMISDQPKXEH-QSJFSLAZSA-N 1 0 260.425 3.141 10 0 CGAERO O=C(C1C[NH2+]C1)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000262221365 279744010 /nfs/dbraw/zinc/74/40/10/279744010.db2.gz KOEKHNLUEWFTJD-OAHLLOKOSA-N 1 0 292.810 3.003 10 0 CGAERO CC(C)[C@@](C)(O)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000184946558 280116376 /nfs/dbraw/zinc/11/63/76/280116376.db2.gz FZYWRYDWQFBOJV-OCCSQVGLSA-N 1 0 253.411 3.292 10 0 CGAERO CC(C)[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccccc1Cl ZINC000091344172 280334668 /nfs/dbraw/zinc/33/46/68/280334668.db2.gz KSFPZQUPOSJRBZ-LRDDRELGSA-N 1 0 294.826 3.248 10 0 CGAERO Cc1cc(N[C@H]2CCCC[C@H]2n2cccn2)cc[nH+]1 ZINC000302580157 280632104 /nfs/dbraw/zinc/63/21/04/280632104.db2.gz SIMNUFLKGJIRPV-LSDHHAIUSA-N 1 0 256.353 3.182 10 0 CGAERO C[C@H](c1cnccn1)[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000248634575 290277520 /nfs/dbraw/zinc/27/75/20/290277520.db2.gz UPIRHRWDNHERQY-QGPMSJSTSA-N 1 0 297.402 3.126 10 0 CGAERO [NH3+]C[C@@H]1CCCCN1C(=O)N[C@H]1CCCCC12CCCC2 ZINC000333838058 295245381 /nfs/dbraw/zinc/24/53/81/295245381.db2.gz UOEFDIBUFFSHDY-GJZGRUSLSA-N 1 0 293.455 3.012 10 0 CGAERO Cn1cccc1C[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000161839165 321874529 /nfs/dbraw/zinc/87/45/29/321874529.db2.gz QKJOURNVMOHJEU-LJQANCHMSA-N 1 0 297.446 3.169 10 0 CGAERO Brc1cccc2[nH]c([C@H]3CC[NH2+]C3)cc21 ZINC000096885659 330381599 /nfs/dbraw/zinc/38/15/99/330381599.db2.gz LMHLYNRTNWWBTH-QMMMGPOBSA-N 1 0 265.154 3.007 10 0 CGAERO CC(C)(C)[NH2+]Cc1ccc(OCC(C)(C)O)c(Cl)c1 ZINC000062730249 518764203 /nfs/dbraw/zinc/76/42/03/518764203.db2.gz PTKPSGKDDDAUNW-UHFFFAOYSA-N 1 0 285.815 3.378 10 0 CGAERO CCC[NH2+]Cc1sc(N(C)[C@H](C)C(C)C)nc1C ZINC000054997793 519974469 /nfs/dbraw/zinc/97/44/69/519974469.db2.gz GMZURGGTAIZOTK-GFCCVEGCSA-N 1 0 269.458 3.432 10 0 CGAERO CC[NH2+]C[C@H]1C[C@@H]1c1ccc(F)c(Br)c1 ZINC000054590310 519981976 /nfs/dbraw/zinc/98/19/76/519981976.db2.gz AYCPCJSMRPWSOO-NXEZZACHSA-N 1 0 272.161 3.301 10 0 CGAERO CCC[NH2+][C@@H](CCCOC)Cc1cccc(OC)c1 ZINC000053831408 519993167 /nfs/dbraw/zinc/99/31/67/519993167.db2.gz RDITWTRSFKKJIA-HNNXBMFYSA-N 1 0 265.397 3.033 10 0 CGAERO CCC[NH2+][C@@H](C)c1cnc(N2CCC[C@H](C)C2)s1 ZINC000054900679 519990378 /nfs/dbraw/zinc/99/03/78/519990378.db2.gz PWWBUHOQRQGKDC-RYUDHWBXSA-N 1 0 267.442 3.440 10 0 CGAERO CC[NH2+][C@@H](Cc1cc(Br)ccc1OC)C1CC1 ZINC000049599654 520104725 /nfs/dbraw/zinc/10/47/25/520104725.db2.gz FSPDIHILRBPKHS-ZDUSSCGKSA-N 1 0 298.224 3.388 10 0 CGAERO CC[NH2+][C@H]1CCN([C@@H](C)c2ccc(Cl)cc2)C1 ZINC000049526055 520215701 /nfs/dbraw/zinc/21/57/01/520215701.db2.gz SJOOSOQEYOUIFC-FZMZJTMJSA-N 1 0 252.789 3.085 10 0 CGAERO CC[C@@H](C)[N@H+](CCOC)Cc1nc(NC)ccc1Cl ZINC000061638727 522091742 /nfs/dbraw/zinc/09/17/42/522091742.db2.gz VGGLLPKWOHJCEV-LLVKDONJSA-N 1 0 285.819 3.024 10 0 CGAERO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2O)o1 ZINC000172068698 533746681 /nfs/dbraw/zinc/74/66/81/533746681.db2.gz JGXAJNQGYKHWPY-AKDPKCQSSA-N 1 0 283.371 3.151 10 0 CGAERO CC[C@H]([NH3+])[C@H](Sc1nnc(C)o1)c1ccccc1F ZINC000051037926 522343958 /nfs/dbraw/zinc/34/39/58/522343958.db2.gz IWTJQCGDMHUOPC-NWDGAFQWSA-N 1 0 281.356 3.088 10 0 CGAERO O[C@@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[NH2+]1 ZINC000001873717 534407003 /nfs/dbraw/zinc/40/70/03/534407003.db2.gz CMHRNWKWZYVDQY-RYUDHWBXSA-N 1 0 260.164 3.169 10 0 CGAERO O[C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCC[NH2+]1 ZINC000001873713 534407137 /nfs/dbraw/zinc/40/71/37/534407137.db2.gz CMHRNWKWZYVDQY-NEPJUHHUSA-N 1 0 260.164 3.169 10 0 CGAERO CC(C)[NH2+]C[C@@H](C)CN(C)Cc1ccccc1Cl ZINC000052371919 519722663 /nfs/dbraw/zinc/72/26/63/519722663.db2.gz IPFPRUOHBYKPSC-CYBMUJFWSA-N 1 0 268.832 3.406 10 0 CGAERO CC(C)C[NH2+]C[C@H](C(C)C)n1ncc2ccccc21 ZINC000052574302 519745843 /nfs/dbraw/zinc/74/58/43/519745843.db2.gz AEWRLYFXJZKBHE-MRXNPFEDSA-N 1 0 259.397 3.479 10 0 CGAERO CC(C)C[NH2+]C[C@H]1CC[C@H](CO[C@@H](C)CC(C)C)O1 ZINC000052603799 519746278 /nfs/dbraw/zinc/74/62/78/519746278.db2.gz DCDPDHBEWAYDJK-ARFHVFGLSA-N 1 0 271.445 3.231 10 0 CGAERO CC(C)C[C@@H](C)OCc1cc(C[NH2+]C(C)C)no1 ZINC000052603438 519774063 /nfs/dbraw/zinc/77/40/63/519774063.db2.gz MSZODDZKDAZRPQ-GFCCVEGCSA-N 1 0 254.374 3.124 10 0 CGAERO CC(C)Oc1ccc(C[N@H+](C)C[C@H]2CCCO2)cc1 ZINC000102514419 519779003 /nfs/dbraw/zinc/77/90/03/519779003.db2.gz LZHKXHCTYDHUCT-MRXNPFEDSA-N 1 0 263.381 3.085 10 0 CGAERO CC(C)[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccc(Cl)cc1 ZINC000062663508 519804822 /nfs/dbraw/zinc/80/48/22/519804822.db2.gz IZIMAJQOGOCPQR-WFASDCNBSA-N 1 0 266.816 3.158 10 0 CGAERO CC(C)[C@H]1CCC(=O)[C@@H](C[N@@H+]2CCCSCC2)C1 ZINC000054559336 519824435 /nfs/dbraw/zinc/82/44/35/519824435.db2.gz AXHUVILTEUYFGN-UONOGXRCSA-N 1 0 269.454 3.067 10 0 CGAERO CC(C)[C@H]1CN(Cc2ccccc2Cl)[C@@H](C)C[NH2+]1 ZINC000068694939 519826903 /nfs/dbraw/zinc/82/69/03/519826903.db2.gz QOPINOOKJPYLPP-SWLSCSKDSA-N 1 0 266.816 3.158 10 0 CGAERO CCCC1CCN([C@@H](C[NH2+]C)c2ccccc2)CC1 ZINC000052374128 519902908 /nfs/dbraw/zinc/90/29/08/519902908.db2.gz KGKZWQZSKWQRRI-KRWDZBQOSA-N 1 0 260.425 3.459 10 0 CGAERO CCCC1CCN([C@@H]2CCCCC[C@@H]2[NH2+]C)CC1 ZINC000050893439 519903238 /nfs/dbraw/zinc/90/32/38/519903238.db2.gz MRXQETWLIFGECC-JKSUJKDBSA-N 1 0 252.446 3.419 10 0 CGAERO CC[NH2+]C1CCN([C@H](C)c2cccc(Cl)c2)CC1 ZINC000049526035 519908615 /nfs/dbraw/zinc/90/86/15/519908615.db2.gz DJXLMRQDTBVTSA-GFCCVEGCSA-N 1 0 266.816 3.475 10 0 CGAERO CCC[NH2+]C[C@@H]1C[C@]12CCCc1cc(OC)ccc12 ZINC000054593161 519926216 /nfs/dbraw/zinc/92/62/16/519926216.db2.gz DREIPXZAPCDNLY-WMLDXEAASA-N 1 0 259.393 3.289 10 0 CGAERO CCC[NH2+]C[C@H](C(C)C)n1ccc(C(F)(F)F)n1 ZINC000052592806 519928930 /nfs/dbraw/zinc/92/89/30/519928930.db2.gz LBPKNXMQJAFEAE-SNVBAGLBSA-N 1 0 263.307 3.099 10 0 CGAERO CCC[NH2+]C[C@H](C(C)C)N(CCC)CC(F)(F)F ZINC000052503960 519930120 /nfs/dbraw/zinc/93/01/20/519930120.db2.gz YCEZKJNGRGTILF-GFCCVEGCSA-N 1 0 268.367 3.285 10 0 CGAERO CCC[NH2+]C[C@H](C)c1c(C)nc(CC(C)C)nc1C ZINC000054854895 519930876 /nfs/dbraw/zinc/93/08/76/519930876.db2.gz RUXIGGPUESGXKK-LBPRGKRZSA-N 1 0 263.429 3.395 10 0 CGAERO CC[NH2+]C[C@@H](O[C@@H](C)CC)c1cccc(OC)c1 ZINC000050484831 519949485 /nfs/dbraw/zinc/94/94/85/519949485.db2.gz OJFKEOUOVWPWFN-SWLSCSKDSA-N 1 0 251.370 3.161 10 0 CGAERO CC[NH2+]C[C@@H]1CCN(c2cc(Cl)ccc2C)C1 ZINC000053010049 519952074 /nfs/dbraw/zinc/95/20/74/519952074.db2.gz KEHRXANHSHLVLP-LBPRGKRZSA-N 1 0 252.789 3.084 10 0 CGAERO CC[NH2+]C[C@@]1(Cc2cscn2)C[C@H]2CC[C@@H]1C2 ZINC000054638992 519958336 /nfs/dbraw/zinc/95/83/36/519958336.db2.gz SCMAZXJTVLIULG-SCRDCRAPSA-N 1 0 250.411 3.102 10 0 CGAERO CCC[NH2+][C@@H](CC)c1ccc2c(c1)CCC(=O)N2C ZINC000062806685 519992376 /nfs/dbraw/zinc/99/23/76/519992376.db2.gz AJHCQYLFSOSPJP-AWEZNQCLSA-N 1 0 260.381 3.046 10 0 CGAERO CCOCCO[C@@H](C[NH2+]C(C)C)c1ccc(Cl)cc1 ZINC000050489217 520018347 /nfs/dbraw/zinc/01/83/47/520018347.db2.gz GVHQRGCOGDRGDG-HNNXBMFYSA-N 1 0 285.815 3.432 10 0 CGAERO CCOCCO[C@H](C[NH2+]CC(C)C)c1ccccc1 ZINC000052604475 520028682 /nfs/dbraw/zinc/02/86/82/520028682.db2.gz BPXWERZVZSOYSK-MRXNPFEDSA-N 1 0 265.397 3.026 10 0 CGAERO CC[NH2+][C@@H](C)c1ccc(-n2ccc(C3CC3)n2)cc1 ZINC000052884464 520074167 /nfs/dbraw/zinc/07/41/67/520074167.db2.gz FCIKJZVAUDQGMS-LBPRGKRZSA-N 1 0 255.365 3.420 10 0 CGAERO CCCCCC[N@@H+]1CCC[C@@H](c2nncn2CC)C1 ZINC000157748337 520078773 /nfs/dbraw/zinc/07/87/73/520078773.db2.gz RWWGDXVUIDTIJW-CQSZACIVSA-N 1 0 264.417 3.058 10 0 CGAERO CC[NH2+][C@@H](C)c1cnc(-c2cccc(F)c2)nc1C ZINC000054962888 520079659 /nfs/dbraw/zinc/07/96/59/520079659.db2.gz UNCAOTMGYXPLFF-JTQLQIEISA-N 1 0 259.328 3.262 10 0 CGAERO CC[NH2+][C@@H](Cc1csc(C)n1)Cc1ccc(F)cc1 ZINC000055295507 520106578 /nfs/dbraw/zinc/10/65/78/520106578.db2.gz KYRSDMSXXSAFIE-CQSZACIVSA-N 1 0 278.396 3.354 10 0 CGAERO CC[NH2+][C@H](Cc1cc(C)ccc1OC)c1ccco1 ZINC000054456173 520202171 /nfs/dbraw/zinc/20/21/71/520202171.db2.gz PHICUFFOEURFQX-CQSZACIVSA-N 1 0 259.349 3.490 10 0 CGAERO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C)c2)C12CCOCC2 ZINC000186221928 520370458 /nfs/dbraw/zinc/37/04/58/520370458.db2.gz TYYPLKWEFHHISG-IAGOWNOFSA-N 1 0 289.419 3.059 10 0 CGAERO CCCOc1ccc(NC(=O)c2ccc(C[NH3+])cc2)cc1 ZINC000051785036 520399785 /nfs/dbraw/zinc/39/97/85/520399785.db2.gz WYFIVMDQSWCPKX-UHFFFAOYSA-N 1 0 284.359 3.186 10 0 CGAERO CCC[C@H](C)[C@@H]([NH3+])c1ccc2c(c1)CCC(=O)N2C ZINC000062806454 521064908 /nfs/dbraw/zinc/06/49/08/521064908.db2.gz BUILMJZLVIMSJX-MEDUHNTESA-N 1 0 260.381 3.032 10 0 CGAERO CCC[C@H]([NH2+][C@@H](C)CC(=O)OC)c1cccs1 ZINC000049544353 521167829 /nfs/dbraw/zinc/16/78/29/521167829.db2.gz IWXXDKOPJIRTND-QWRGUYRKSA-N 1 0 255.383 3.131 10 0 CGAERO CCC[C@H]1C[NH2+]CCN1Cc1ccc(Cl)cc1F ZINC000164362011 521223520 /nfs/dbraw/zinc/22/35/20/521223520.db2.gz IUAYHFAWKUOHRB-ZDUSSCGKSA-N 1 0 270.779 3.053 10 0 CGAERO CCOC(=O)[C@](C)([NH2+]C1CCCCCC1)C(C)C ZINC000052883913 521329430 /nfs/dbraw/zinc/32/94/30/521329430.db2.gz PEXBKEMEOQKRAG-OAHLLOKOSA-N 1 0 255.402 3.277 10 0 CGAERO CCN(Cc1ccco1)C[C@H](C)C[NH2+]C(C)(C)C ZINC000052570543 521398730 /nfs/dbraw/zinc/39/87/30/521398730.db2.gz APGVKYPUHZPYGU-CYBMUJFWSA-N 1 0 252.402 3.126 10 0 CGAERO CCN(Cc1ccoc1C[NH2+]C)c1ccc(F)cc1 ZINC000052512162 521424201 /nfs/dbraw/zinc/42/42/01/521424201.db2.gz PRRHESBGLMMJJN-UHFFFAOYSA-N 1 0 262.328 3.165 10 0 CGAERO CCN(c1ccc(F)cc1)c1ccc(C[NH2+]C)cn1 ZINC000051483108 521488889 /nfs/dbraw/zinc/48/88/89/521488889.db2.gz BEOZSPHLRIANLD-UHFFFAOYSA-N 1 0 259.328 3.098 10 0 CGAERO CCN(c1ccc(Cl)cc1C(N)=[NH2+])C1CCCC1 ZINC000052860042 521489388 /nfs/dbraw/zinc/48/93/88/521489388.db2.gz WKAYAFJSEGHMKD-UHFFFAOYSA-N 1 0 265.788 3.393 10 0 CGAERO CCCN(CC(F)(F)F)c1nc(C)c([C@H](C)[NH3+])s1 ZINC000054896588 521587704 /nfs/dbraw/zinc/58/77/04/521587704.db2.gz MRBMPUAXCRWHTD-ZETCQYMHSA-N 1 0 281.347 3.250 10 0 CGAERO C[NH2+]C[C@H](Oc1cccc(OC)c1)c1ccccc1 ZINC000052655309 522077610 /nfs/dbraw/zinc/07/76/10/522077610.db2.gz APHYTMDEAZKQDE-INIZCTEOSA-N 1 0 257.333 3.035 10 0 CGAERO CC[C@H]([NH3+])c1cnn(Cc2ccccc2Br)c1 ZINC000054717166 522348834 /nfs/dbraw/zinc/34/88/34/522348834.db2.gz ARPWAGGMZCGRJR-ZDUSSCGKSA-N 1 0 294.196 3.104 10 0 CGAERO C[NH2+][C@@H](c1cc2ccccc2o1)c1cncc(F)c1 ZINC000062797736 522367164 /nfs/dbraw/zinc/36/71/64/522367164.db2.gz NCWHIMSDGOPXBK-OAHLLOKOSA-N 1 0 256.280 3.276 10 0 CGAERO CCc1[nH+]c2cc(N)ccc2n1Cc1ccccc1 ZINC000052852407 522488107 /nfs/dbraw/zinc/48/81/07/522488107.db2.gz QLOFXVKECGHPKI-UHFFFAOYSA-N 1 0 251.333 3.229 10 0 CGAERO COc1cc(Cl)c(C)cc1NCC[C@@H](C)C[NH3+] ZINC000049846326 522518703 /nfs/dbraw/zinc/51/87/03/522518703.db2.gz SNTCZKJCBWTQQC-SECBINFHSA-N 1 0 256.777 3.054 10 0 CGAERO CC[C@H]([NH2+]C)c1cnn(Cc2ccccc2Cl)c1 ZINC000054721879 522556708 /nfs/dbraw/zinc/55/67/08/522556708.db2.gz FLEYWAJJXWSQBY-AWEZNQCLSA-N 1 0 263.772 3.255 10 0 CGAERO CC[C@H]([NH2+][C@@H]1CCCCC[C@@H]1O)c1cccs1 ZINC000049530305 522711004 /nfs/dbraw/zinc/71/10/04/522711004.db2.gz MZAOOVITHZFLGA-XQQFMLRXSA-N 1 0 253.411 3.482 10 0 CGAERO COCCCO[C@H](C[NH2+]C1CC1)c1cccc(Cl)c1 ZINC000050486568 523409509 /nfs/dbraw/zinc/40/95/09/523409509.db2.gz VUIBCFKPMUEKMU-OAHLLOKOSA-N 1 0 283.799 3.186 10 0 CGAERO COCC[NH2+]CC1(Cc2ccc(F)cc2)CCCC1 ZINC000054656093 523934267 /nfs/dbraw/zinc/93/42/67/523934267.db2.gz LJQKLWFCNCMCCU-UHFFFAOYSA-N 1 0 265.372 3.165 10 0 CGAERO COCC[NH2+]C[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000054598746 523944921 /nfs/dbraw/zinc/94/49/21/523944921.db2.gz QSXPTBXCVJPBCG-KOLCDFICSA-N 1 0 274.191 3.333 10 0 CGAERO COc1ccc(C[C@@H]2CCCC[NH2+]2)cc1Br ZINC000062772418 524140285 /nfs/dbraw/zinc/14/02/85/524140285.db2.gz GRNLTLDPHUFAFY-NSHDSACASA-N 1 0 284.197 3.142 10 0 CGAERO C[C@H](C[NH2+]C1CC1)CN1CCC[C@H]2CCCC[C@@H]21 ZINC000052482485 524479576 /nfs/dbraw/zinc/47/95/76/524479576.db2.gz UYBXZZMPGLFVAM-FMKPAKJESA-N 1 0 250.430 3.029 10 0 CGAERO COc1ccccc1O[C@@H](C[NH2+]C(C)C)C(C)C ZINC000052675026 524690119 /nfs/dbraw/zinc/69/01/19/524690119.db2.gz YKTGTZORHXBGRY-HNNXBMFYSA-N 1 0 251.370 3.097 10 0 CGAERO C[C@H]1C[NH+]=C(NCc2cccc3ccccc32)S1 ZINC000052062977 524691220 /nfs/dbraw/zinc/69/12/20/524691220.db2.gz HRRXHRFZCPLCII-NSHDSACASA-N 1 0 256.374 3.421 10 0 CGAERO COc1ccccc1[C@](C)([NH3+])c1ccc(F)cc1F ZINC000055238439 524818460 /nfs/dbraw/zinc/81/84/60/524818460.db2.gz WESUDIBUDGLCHR-OAHLLOKOSA-N 1 0 263.287 3.196 10 0 CGAERO C[C@H]([NH3+])[C@@H](Oc1cc(F)cc(F)c1)c1ccco1 ZINC000054932334 524836559 /nfs/dbraw/zinc/83/65/59/524836559.db2.gz PKCFPABLJLJRKC-ISVAXAHUSA-N 1 0 253.248 3.025 10 0 CGAERO Cc1cccc([C@H](C)[NH2+]C[C@@H](O)COC(C)(C)C)c1C ZINC000183736538 524873267 /nfs/dbraw/zinc/87/32/67/524873267.db2.gz JYRLVTRFJMEHGR-LSDHHAIUSA-N 1 0 279.424 3.130 10 0 CGAERO C[C@@H]([NH3+])[C@H](Oc1cc(F)cc(F)c1)c1ccco1 ZINC000054932333 525016136 /nfs/dbraw/zinc/01/61/36/525016136.db2.gz PKCFPABLJLJRKC-OQPBUACISA-N 1 0 253.248 3.025 10 0 CGAERO Cc1ccccc1C[N@H+]1CC(C)(C)NC[C@H]1C(C)C ZINC000062657426 525135132 /nfs/dbraw/zinc/13/51/32/525135132.db2.gz QNOGDSXUJOWRCB-INIZCTEOSA-N 1 0 260.425 3.203 10 0 CGAERO C[C@H]([NH2+]CCn1ccnc1)c1cccc(-c2ccncc2)c1 ZINC000155759267 525375028 /nfs/dbraw/zinc/37/50/28/525375028.db2.gz STHPRGMLHHQGJG-HNNXBMFYSA-N 1 0 292.386 3.296 10 0 CGAERO COc1ccc2ccccc2c1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000089162115 525652025 /nfs/dbraw/zinc/65/20/25/525652025.db2.gz YZIZSRNEMYQHOB-YOEHRIQHSA-N 1 0 285.387 3.099 10 0 CGAERO Cc1ccc([C@H](C)[NH2+][C@H]2CN(C(C)C)C[C@@H]2C)s1 ZINC000151946890 525945288 /nfs/dbraw/zinc/94/52/88/525945288.db2.gz LTNBIUSTUQCZPD-UBHSHLNASA-N 1 0 266.454 3.436 10 0 CGAERO Cc1cnc(C[NH2+][C@H]2CCCc3sccc32)cn1 ZINC000061329540 526048749 /nfs/dbraw/zinc/04/87/49/526048749.db2.gz ZJDKXFXITLUUCU-ZDUSSCGKSA-N 1 0 259.378 3.014 10 0 CGAERO COc1cccc(COc2cc(Cl)ccc2C[NH3+])c1 ZINC000062787144 526060993 /nfs/dbraw/zinc/06/09/93/526060993.db2.gz BOHHHFPIDKCROW-UHFFFAOYSA-N 1 0 277.751 3.386 10 0 CGAERO COc1cccc(C[C@](C)([NH3+])c2ccc(F)cc2)c1 ZINC000053755156 526080682 /nfs/dbraw/zinc/08/06/82/526080682.db2.gz MZTLAYGFYJGDPR-INIZCTEOSA-N 1 0 259.324 3.251 10 0 CGAERO Fc1ccc(Br)cc1C[C@@H]1CCCC[NH2+]1 ZINC000062772346 526324713 /nfs/dbraw/zinc/32/47/13/526324713.db2.gz HEISFFIARIRJDX-NSHDSACASA-N 1 0 272.161 3.273 10 0 CGAERO Cc1csc(C2CC[NH+](C/C=C/Cl)CC2)n1 ZINC000157823553 526330009 /nfs/dbraw/zinc/33/00/09/526330009.db2.gz NEBJLVICZAEDRX-GORDUTHDSA-N 1 0 256.802 3.383 10 0 CGAERO Cc1nnc(SCC[NH2+][C@H]2CCCC[C@H]2C)s1 ZINC000053622816 526384373 /nfs/dbraw/zinc/38/43/73/526384373.db2.gz FIYZFCCGQCUZGH-KOLCDFICSA-N 1 0 271.455 3.107 10 0 CGAERO c1ncn(C2CC[NH+](Cc3csc4ccccc34)CC2)n1 ZINC000156622458 526616261 /nfs/dbraw/zinc/61/62/61/526616261.db2.gz WGSZGFLBEDTVGA-UHFFFAOYSA-N 1 0 298.415 3.330 10 0 CGAERO NC(=[NH2+])c1ccc(COCc2ccc(Cl)cc2)cc1 ZINC000062714851 526821917 /nfs/dbraw/zinc/82/19/17/526821917.db2.gz PHJGRESBFSZWSD-UHFFFAOYSA-N 1 0 274.751 3.341 10 0 CGAERO Cc1occc1CN(C)[C@@H](C[NH2+]C(C)C)C(C)C ZINC000052346443 526826070 /nfs/dbraw/zinc/82/60/70/526826070.db2.gz BDBANNDBMKLNPT-HNNXBMFYSA-N 1 0 252.402 3.042 10 0 CGAERO Cc1nc(CN(C)[C@H](C[NH2+]CC(C)C)C(C)C)cs1 ZINC000052505691 526846089 /nfs/dbraw/zinc/84/60/89/526846089.db2.gz NSKRRKYVROMUTB-OAHLLOKOSA-N 1 0 283.485 3.154 10 0 CGAERO Cc1ncc(C[NH2+][C@H](c2ccc(F)cc2)C(C)C)[nH]1 ZINC000054821787 526894687 /nfs/dbraw/zinc/89/46/87/526894687.db2.gz KZMJLYUXSHVYEM-HNNXBMFYSA-N 1 0 261.344 3.344 10 0 CGAERO Cc1nc(C[C@H]([NH3+])c2ccc(Cl)cc2)cs1 ZINC000055294677 526921694 /nfs/dbraw/zinc/92/16/94/526921694.db2.gz BWXBPUNMZCQGIY-LBPRGKRZSA-N 1 0 252.770 3.347 10 0 CGAERO Cc1nc(Cn2c(N)[nH+]c3cccc(Cl)c32)cs1 ZINC000049534198 526942827 /nfs/dbraw/zinc/94/28/27/526942827.db2.gz WOTVEBGZEFLZCT-UHFFFAOYSA-N 1 0 278.768 3.085 10 0 CGAERO [NH3+]C[C@H](c1csc2ccccc12)N1CCCCC1 ZINC000054463933 527230118 /nfs/dbraw/zinc/23/01/18/527230118.db2.gz JGUDWJWEXIFWDD-CQSZACIVSA-N 1 0 260.406 3.387 10 0 CGAERO [NH3+][C@H]1CCCC[C@H]1c1cccc(Br)c1 ZINC000062625265 527397548 /nfs/dbraw/zinc/39/75/48/527397548.db2.gz LJNGVXWIRBFJAP-RYUDHWBXSA-N 1 0 254.171 3.434 10 0 CGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cnc(C(C)(C)C)s1 ZINC000123428667 529097900 /nfs/dbraw/zinc/09/79/00/529097900.db2.gz PSQPPRDOTHIKNB-ZDUSSCGKSA-N 1 0 295.496 3.357 10 0 CGAERO CC[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1cccc(Cl)c1 ZINC000173306855 529177953 /nfs/dbraw/zinc/17/79/53/529177953.db2.gz RDXOLMMIULQJOC-XJKSGUPXSA-N 1 0 296.842 3.101 10 0 CGAERO CC1(C)Cc2cc(C[NH2+][C@@H]3C[C@H]4OCCC[C@@H]34)ccc2O1 ZINC000249983805 534946260 /nfs/dbraw/zinc/94/62/60/534946260.db2.gz YWRDVPCESIQYIF-ZMSDIMECSA-N 1 0 287.403 3.057 10 0 CGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000091061460 535495207 /nfs/dbraw/zinc/49/52/07/535495207.db2.gz UOXAXGVCEYACFB-CZUORRHYSA-N 1 0 255.365 3.151 10 0 CGAERO CC[C@@H](NC(=O)c1ccc(C[NH3+])cc1)c1ccccc1 ZINC000051626127 535800190 /nfs/dbraw/zinc/80/01/90/535800190.db2.gz DSMSKQCQPVOLTH-MRXNPFEDSA-N 1 0 268.360 3.026 10 0 CGAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1c1cccc(F)c1F ZINC000083510464 535825350 /nfs/dbraw/zinc/82/53/50/535825350.db2.gz XQHSIGAOQBALBN-DGCLKSJQSA-N 1 0 268.351 3.178 10 0 CGAERO 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282.428 3.153 10 0 CGAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]CCC2CC2)C1 ZINC000090739998 618157788 /nfs/dbraw/zinc/15/77/88/618157788.db2.gz PIOSNXHNJLZJRQ-AWEZNQCLSA-N 1 0 282.428 3.023 10 0 CGAERO CC(=O)[C@H]1CCCN(c2cc[nH+]c3ccccc32)C1 ZINC000111690880 618629205 /nfs/dbraw/zinc/62/92/05/618629205.db2.gz AOEKHBURJAZDFF-ZDUSSCGKSA-N 1 0 254.333 3.040 10 0 CGAERO CCOC(C[N@H+](C)[C@H]1C[C@H](OCC)C12CCCC2)OCC ZINC000184987002 625286984 /nfs/dbraw/zinc/28/69/84/625286984.db2.gz QIFVBSBXBNRWEP-GJZGRUSLSA-N 1 0 299.455 3.055 10 0 CGAERO C[C@H]([NH2+]C1CCS(=O)CC1)c1ccc(F)c(Cl)c1 ZINC000157948760 618728443 /nfs/dbraw/zinc/72/84/43/618728443.db2.gz XWJLAXKDEHDUDR-CEGNQUAASA-N 1 0 289.803 3.041 10 0 CGAERO CCOC(C[N@H+](C)[C@@H]1C[C@H](OCC)C12CCCC2)OCC ZINC000184987044 625287429 /nfs/dbraw/zinc/28/74/29/625287429.db2.gz QIFVBSBXBNRWEP-CABCVRRESA-N 1 0 299.455 3.055 10 0 CGAERO CC(C)[C@@H](C)[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000309366608 618864755 /nfs/dbraw/zinc/86/47/55/618864755.db2.gz 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CC(C)(C)OC(=O)[C@]1(F)C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000757183313 630588071 /nfs/dbraw/zinc/58/80/71/630588071.db2.gz NPRWLMIOVPRVEA-PGUXBMHVSA-N 1 0 273.392 3.210 10 0 CGAERO CCC[C@@H]1C[C@H]1[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000300593736 637846044 /nfs/dbraw/zinc/84/60/44/637846044.db2.gz ZFJHZNGUFMSSLU-HONMWMINSA-N 1 0 298.224 3.261 10 0 CGAERO CCC(CC)[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000089146960 640630732 /nfs/dbraw/zinc/63/07/32/640630732.db2.gz NVNZKLTUYJNYER-OCCSQVGLSA-N 1 0 284.444 3.458 10 0 CGAERO [NH3+]C[C@@H]1CCCC[C@@H]1c1nc(Cc2cccc(F)c2)no1 ZINC000089383500 640643560 /nfs/dbraw/zinc/64/35/60/640643560.db2.gz LJJLHGHVZOPRGO-JSGCOSHPSA-N 1 0 289.354 3.032 10 0 CGAERO C[C@@H]1CCC[C@H](c2noc([C@H]3CCC[C@@H]3C[NH3+])n2)C1 ZINC000251945140 640835862 /nfs/dbraw/zinc/83/58/62/640835862.db2.gz WGXVRWXJOVXNPB-XQHKEYJVSA-N 1 0 263.385 3.206 10 0 CGAERO C/C=C(/C)C[N@H+]1CC[C@H](c2cc(OC)ccc2OC)C1 ZINC000096843916 640840908 /nfs/dbraw/zinc/84/09/08/640840908.db2.gz RYLBOMBMOILHHT-UUSOHVMFSA-N 1 0 275.392 3.459 10 0 CGAERO CCCc1nc(-c2ccc(OC)cc2)sc1C[NH3+] ZINC000082428403 178004471 /nfs/dbraw/zinc/00/44/71/178004471.db2.gz UZFFJJDEVKYCTQ-UHFFFAOYSA-N 1 0 262.378 3.230 10 0 CGAERO CC[NH2+]Cc1sc(CSCC)nc1C1CC1 ZINC000082436095 178013383 /nfs/dbraw/zinc/01/33/83/178013383.db2.gz QDCNTRFDIACAJF-UHFFFAOYSA-N 1 0 256.440 3.383 10 0 CGAERO CC(C)(C)c1nc(COc2ccccc2)sc1C[NH3+] ZINC000082439353 178017625 /nfs/dbraw/zinc/01/76/25/178017625.db2.gz VQBSNSIVCRJONZ-UHFFFAOYSA-N 1 0 276.405 3.478 10 0 CGAERO Cc1c(C[NH2+]CC(C)C)cnn1-c1ccccc1F ZINC000082660782 178147399 /nfs/dbraw/zinc/14/73/99/178147399.db2.gz PLINTAGTENLLRB-UHFFFAOYSA-N 1 0 261.344 3.065 10 0 CGAERO Cc1cc(C)c(-n2ncc(C[NH3+])c2C(F)(F)F)c(C)c1 ZINC000082661897 178150191 /nfs/dbraw/zinc/15/01/91/178150191.db2.gz PNMXFFPXZGXTBR-UHFFFAOYSA-N 1 0 283.297 3.275 10 0 CGAERO CC[C@@H](C)[NH2+]Cc1csc(N2CCCCCC2)n1 ZINC000082688855 178182857 /nfs/dbraw/zinc/18/28/57/178182857.db2.gz ALYITOUFGKIZCI-GFCCVEGCSA-N 1 0 267.442 3.412 10 0 CGAERO Brc1ccc2[nH]cc(C[C@H]3CCC[NH2+]3)c2c1 ZINC000096887127 185123318 /nfs/dbraw/zinc/12/33/18/185123318.db2.gz WVHBOMDMDWANEM-LLVKDONJSA-N 1 0 279.181 3.225 10 0 CGAERO Cc1cccc([C@@H]2[C@@H]([NH3+])CCN2Cc2ccccc2)c1 ZINC000096947856 185137834 /nfs/dbraw/zinc/13/78/34/185137834.db2.gz JGLYJTNUHMKDRV-ZWKOTPCHSA-N 1 0 266.388 3.269 10 0 CGAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623427635 349805568 /nfs/dbraw/zinc/80/55/68/349805568.db2.gz GWRACZSNZVNXAU-WDEREUQCSA-N 1 0 293.354 3.408 10 0 CGAERO O[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccsc1C(F)(F)F ZINC000623432761 349807647 /nfs/dbraw/zinc/80/76/47/349807647.db2.gz IVKHCKPCZMPTQZ-PSASIEDQSA-N 1 0 279.327 3.018 10 0 CGAERO C[C@H](NC(=O)C(C)(C)C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000127960952 187343735 /nfs/dbraw/zinc/34/37/35/187343735.db2.gz WYPJQIAFJFCADN-LBPRGKRZSA-N 1 0 276.424 3.146 10 0 CGAERO O[C@@]1(c2ccccc2)C[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC000033856640 344936518 /nfs/dbraw/zinc/93/65/18/344936518.db2.gz MUPRAECAEXZYHK-HZPDHXFCSA-N 1 0 273.763 3.262 10 0 CGAERO CCC[C@H](NC(=O)C1CCC([NH3+])CC1)c1ccccc1 ZINC000037629099 344952077 /nfs/dbraw/zinc/95/20/77/344952077.db2.gz WVMJSBUHYBXTIF-GPANFISMSA-N 1 0 274.408 3.162 10 0 CGAERO COc1ccc(OCc2ccccc2)c(C[C@H](C)[NH3+])c1 ZINC000037722638 344952505 /nfs/dbraw/zinc/95/25/05/344952505.db2.gz AIRBRNLRZNUKNN-ZDUSSCGKSA-N 1 0 271.360 3.164 10 0 CGAERO CCC[N@H+](CCCCO)[C@@H]1CCc2cc(OC)ccc2C1 ZINC000039310988 344959336 /nfs/dbraw/zinc/95/93/36/344959336.db2.gz HXGWJZGQZVLUSH-QGZVFWFLSA-N 1 0 291.435 3.037 10 0 CGAERO [NH3+]C[C@@H]1Cc2cccc(-c3ccc(Cl)cc3)c2O1 ZINC000035837830 344942693 /nfs/dbraw/zinc/94/26/93/344942693.db2.gz RKAMHAAMJMMVSI-ZDUSSCGKSA-N 1 0 259.736 3.269 10 0 CGAERO Cc1ccc(C)c(-c2cc(F)cc3c2O[C@@H](C[NH3+])C3)c1 ZINC000036374661 344943969 /nfs/dbraw/zinc/94/39/69/344943969.db2.gz NKVPCLBCGXXWGO-CQSZACIVSA-N 1 0 271.335 3.372 10 0 CGAERO O[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC000037164343 344947932 /nfs/dbraw/zinc/94/79/32/344947932.db2.gz UBYIAEMXAGHNID-WDEREUQCSA-N 1 0 274.191 3.387 10 0 CGAERO O[C@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)C1 ZINC000037164338 344948233 /nfs/dbraw/zinc/94/82/33/344948233.db2.gz UBYIAEMXAGHNID-QWRGUYRKSA-N 1 0 274.191 3.387 10 0 CGAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000037164786 344948263 /nfs/dbraw/zinc/94/82/63/344948263.db2.gz XZFWTHHYFQYCQO-IBEHDNSVSA-N 1 0 253.430 3.340 10 0 CGAERO C[NH2+][C@H]1CCCCc2ccc(Br)cc21 ZINC000054742587 345138675 /nfs/dbraw/zinc/13/86/75/345138675.db2.gz DNMTZJWBAKDPBR-LBPRGKRZSA-N 1 0 254.171 3.436 10 0 CGAERO Brc1cccc(SC[C@H]2CC[NH2+]C2)c1 ZINC000055309148 345146837 /nfs/dbraw/zinc/14/68/37/345146837.db2.gz LWFYMARDYFXBSH-VIFPVBQESA-N 1 0 272.211 3.151 10 0 CGAERO CCCCNC(=O)C[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000067127784 345315753 /nfs/dbraw/zinc/31/57/53/345315753.db2.gz MROPVKLQQCPIRK-CQSZACIVSA-N 1 0 276.424 3.377 10 0 CGAERO C[C@]1(c2ccc(Br)s2)CCC[NH2+]C1 ZINC000070063861 345388407 /nfs/dbraw/zinc/38/84/07/345388407.db2.gz FMWYBUXEMUXQAW-JTQLQIEISA-N 1 0 260.200 3.152 10 0 CGAERO C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)CCO1 ZINC000070354251 345390437 /nfs/dbraw/zinc/39/04/37/345390437.db2.gz VKMIDHCCJYTCJB-FIQHERPVSA-N 1 0 265.319 3.265 10 0 CGAERO O[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116290588 232183508 /nfs/dbraw/zinc/18/35/08/232183508.db2.gz OEKPBVCMERKOID-JKSUJKDBSA-N 1 0 271.360 3.020 10 0 CGAERO C[C@@H]1C[C@H](c2cc(Br)ccc2F)C[NH2+]1 ZINC000070586570 345391935 /nfs/dbraw/zinc/39/19/35/345391935.db2.gz DYSRQQIRQDGCEU-SFYZADRCSA-N 1 0 258.134 3.054 10 0 CGAERO CC[C@H](COC)[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000079711318 345652793 /nfs/dbraw/zinc/65/27/93/345652793.db2.gz SYOAXGYVENELTR-OUAUKWLOSA-N 1 0 253.308 3.122 10 0 CGAERO CC(C)c1nc2cc(NC(=O)[C@H]3CC[C@@H]([NH3+])C3)ccc2o1 ZINC000091544943 345818747 /nfs/dbraw/zinc/81/87/47/345818747.db2.gz UDGNPFULBKQVSY-WDEREUQCSA-N 1 0 287.363 3.017 10 0 CGAERO [NH3+][C@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 ZINC000113904609 345962425 /nfs/dbraw/zinc/96/24/25/345962425.db2.gz MECDCHFRZHLREI-VQTJNVASSA-N 1 0 292.426 3.240 10 0 CGAERO CCc1cccc(-c2ccccc2)c1CC1=[NH+]CCN1 ZINC000114909403 345967433 /nfs/dbraw/zinc/96/74/33/345967433.db2.gz QTPUVNSDIHNPPY-UHFFFAOYSA-N 1 0 264.372 3.460 10 0 CGAERO Fc1ccc([C@H]2C[NH2+]CCCN2c2ccccc2)cc1 ZINC000117608410 345985205 /nfs/dbraw/zinc/98/52/05/345985205.db2.gz JNCLBDPBETWQBZ-QGZVFWFLSA-N 1 0 270.351 3.367 10 0 CGAERO [NH3+]CC/C=C1/CCc2cc(Br)ccc21 ZINC000127927799 346035975 /nfs/dbraw/zinc/03/59/75/346035975.db2.gz MITQYKGDPFSHMO-MBXJOHMKSA-N 1 0 252.155 3.128 10 0 CGAERO C[NH2+][C@@H](c1ncccc1Br)C(C)(C)C ZINC000133223166 346076205 /nfs/dbraw/zinc/07/62/05/346076205.db2.gz SZBBWTJCPANGPD-JTQLQIEISA-N 1 0 257.175 3.151 10 0 CGAERO C[NH2+][C@@H]1CSC[C@@H]1Cc1cc(Br)cs1 ZINC000134586056 346083472 /nfs/dbraw/zinc/08/34/72/346083472.db2.gz RCNROMDXEDCIJI-OIBJUYFYSA-N 1 0 292.267 3.004 10 0 CGAERO CC(C)C1CCC([NH2+][C@@H]2CCCCC[C@H]2O)CC1 ZINC000135616870 346088707 /nfs/dbraw/zinc/08/87/07/346088707.db2.gz ZNSSKWQTWTTWMY-QDIHITRGSA-N 1 0 253.430 3.484 10 0 CGAERO [NH3+]C[C@H]1C[C@@H]1c1ccc(Cl)c(Br)c1 ZINC000137241356 346093419 /nfs/dbraw/zinc/09/34/19/346093419.db2.gz PTRDZGMEBWMKEE-HTQZYQBOSA-N 1 0 260.562 3.165 10 0 CGAERO COc1ccc2c(c1)/C(=C/C[NH3+])[C@@H](Cc1ccccc1)C2 ZINC000137676610 346095042 /nfs/dbraw/zinc/09/50/42/346095042.db2.gz FQOXJCAQWQNAMO-ZJTXRKTBSA-N 1 0 279.383 3.452 10 0 CGAERO [NH3+][C@@H](Cc1ccco1)c1ccc(Br)s1 ZINC000131246162 346063986 /nfs/dbraw/zinc/06/39/86/346063986.db2.gz YLAAJYZTZAVIKW-QMMMGPOBSA-N 1 0 272.167 3.346 10 0 CGAERO CC1(C)CN(c2cccc3cc(F)ccc32)CC[NH2+]1 ZINC000142992768 346112577 /nfs/dbraw/zinc/11/25/77/346112577.db2.gz SOSQMRWZAPUCMZ-UHFFFAOYSA-N 1 0 258.340 3.167 10 0 CGAERO C[C@@H]1CN(c2nc3ccc(Cl)cc3s2)C[C@H](C)[NH2+]1 ZINC000145796923 346121495 /nfs/dbraw/zinc/12/14/95/346121495.db2.gz FRFJMBZGMFHBJA-DTORHVGOSA-N 1 0 281.812 3.136 10 0 CGAERO OC[C@@H]1C[C@@H](Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000147300435 346125536 /nfs/dbraw/zinc/12/55/36/346125536.db2.gz ICZGVQUCRCVQAX-MOPGFXCFSA-N 1 0 281.399 3.112 10 0 CGAERO C[C@H]([NH3+])[C@@H](Cc1ccc(Cl)cc1)OCC1CCC1 ZINC000149924613 346131799 /nfs/dbraw/zinc/13/17/99/346131799.db2.gz POQZWZPRDMLEHO-XHDPSFHLSA-N 1 0 267.800 3.415 10 0 CGAERO C[C@@H]1CCN[C@]2(CCC[N@H+](Cc3ccccc3)C2)S1 ZINC000159173672 346166756 /nfs/dbraw/zinc/16/67/56/346166756.db2.gz LROKDMHBHNJSQO-GDBMZVCRSA-N 1 0 276.449 3.094 10 0 CGAERO [NH3+][C@H](c1ccc(Br)s1)C1=COCCC1 ZINC000160081666 346170301 /nfs/dbraw/zinc/17/03/01/346170301.db2.gz RFWLKSBGDYRHLB-JTQLQIEISA-N 1 0 274.183 3.205 10 0 CGAERO C[C@]1(c2cscc2Br)CC[C@H]([NH3+])C1 ZINC000166991943 346187707 /nfs/dbraw/zinc/18/77/07/346187707.db2.gz AYBYCKNBEWDQCH-XVKPBYJWSA-N 1 0 260.200 3.280 10 0 CGAERO CC(C)[C@H]([NH3+])c1csc(I)c1 ZINC000168808631 346191265 /nfs/dbraw/zinc/19/12/65/346191265.db2.gz STUXAWBWILTATI-QMMMGPOBSA-N 1 0 281.162 3.009 10 0 CGAERO CC[C@H]([NH2+]C)c1csc(I)c1 ZINC000168829318 346191449 /nfs/dbraw/zinc/19/14/49/346191449.db2.gz MUGDWRJFSNNEJJ-ZETCQYMHSA-N 1 0 281.162 3.023 10 0 CGAERO COc1cc(C)ccc1[C@@H](C)[NH2+][C@H](C)c1cn[nH]c1 ZINC000222508713 346299178 /nfs/dbraw/zinc/29/91/78/346299178.db2.gz LZFYGWANFVEOOF-VXGBXAGGSA-N 1 0 259.353 3.139 10 0 CGAERO [NH3+]C[C@@H](CC1(C(F)F)CC1)c1ccc(C2CC2)nc1 ZINC000217365747 346290773 /nfs/dbraw/zinc/29/07/73/346290773.db2.gz RKUMXTAXELAABG-GFCCVEGCSA-N 1 0 266.335 3.437 10 0 CGAERO CC[C@]1(c2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000234133721 346331518 /nfs/dbraw/zinc/33/15/18/346331518.db2.gz MGQUZSVCIXSPLA-CMPLNLGQSA-N 1 0 254.171 3.076 10 0 CGAERO CC(C)(C)OC(=O)Nc1cccc(N[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000227589823 346309979 /nfs/dbraw/zinc/30/99/79/346309979.db2.gz CQLIKOOPLBZXHJ-FZMZJTMJSA-N 1 0 291.395 3.325 10 0 CGAERO Cc1sc(C[C@H]([NH3+])C(C)C)cc1Br ZINC000227893678 346312150 /nfs/dbraw/zinc/31/21/50/346312150.db2.gz MHFWWDWAKYPTMC-JTQLQIEISA-N 1 0 262.216 3.345 10 0 CGAERO C[C@@H]([NH3+])/C=C/c1cc(Cl)ccc1Br ZINC000231751605 346324070 /nfs/dbraw/zinc/32/40/70/346324070.db2.gz USYMNNAOOQSULK-TYWZFMJISA-N 1 0 260.562 3.463 10 0 CGAERO CCC[C@H]([NH3+])c1sccc1I ZINC000238251060 346347856 /nfs/dbraw/zinc/34/78/56/346347856.db2.gz MLRJECQUYMDPNQ-ZETCQYMHSA-N 1 0 281.162 3.153 10 0 CGAERO COC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc(Cl)c2)C1 ZINC000245401602 346353746 /nfs/dbraw/zinc/35/37/46/346353746.db2.gz FCJFWNTXRUUZMS-WCQYABFASA-N 1 0 281.783 3.286 10 0 CGAERO [NH3+][C@H](c1ccsc1)c1ccoc1Br ZINC000236332757 346340812 /nfs/dbraw/zinc/34/08/12/346340812.db2.gz IVOOCUQPKDMBOQ-MRVPVSSYSA-N 1 0 258.140 3.152 10 0 CGAERO CC[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1cccs1 ZINC000251253216 346388059 /nfs/dbraw/zinc/38/80/59/346388059.db2.gz MZAOOVITHZFLGA-YNEHKIRRSA-N 1 0 253.411 3.482 10 0 CGAERO COc1ccc2c(c1)c(CCC[NH2+]C(C)C)cn2C ZINC000098160121 185694620 /nfs/dbraw/zinc/69/46/20/185694620.db2.gz HUUZPISXCKIYOP-UHFFFAOYSA-N 1 0 260.381 3.118 10 0 CGAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1cc2c(cc1OC)C[C@H](C)O2 ZINC000300405630 346437252 /nfs/dbraw/zinc/43/72/52/346437252.db2.gz PONBRNQYMVASOO-ZOWXZIJZSA-N 1 0 275.392 3.297 10 0 CGAERO CC1(C)[C@H](c2ccc(Br)s2)[C@@H]1C[NH3+] ZINC000301022430 346439001 /nfs/dbraw/zinc/43/90/01/346439001.db2.gz QKEHSBCIRABCJM-RCOVLWMOSA-N 1 0 260.200 3.209 10 0 CGAERO C[NH2+]C[C@@H]1[C@H](c2occc2Br)C1(C)C ZINC000300962768 346439204 /nfs/dbraw/zinc/43/92/04/346439204.db2.gz IKEDHZKZTFPZRT-VXNVDRBHSA-N 1 0 258.159 3.001 10 0 CGAERO C[C@H]1C[NH2+]CC[C@@H]1c1csc(Br)c1 ZINC000306310146 346453425 /nfs/dbraw/zinc/45/34/25/346453425.db2.gz ZLQQWRNIMMWGCM-CBAPKCEASA-N 1 0 260.200 3.224 10 0 CGAERO C[C@H]([NH3+])[C@@H]1C[C@@H]1c1cccc(F)c1Br ZINC000307241993 346460913 /nfs/dbraw/zinc/46/09/13/346460913.db2.gz JDKCFQCZWHINPL-CNUIFLNQSA-N 1 0 258.134 3.039 10 0 CGAERO CC(C)[N@H+](C)CCCCNC(=O)OCc1ccccc1 ZINC000307690459 346464854 /nfs/dbraw/zinc/46/48/54/346464854.db2.gz OSVJOELJRXGBSC-UHFFFAOYSA-N 1 0 278.396 3.033 10 0 CGAERO CSCC1CCC([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000385379074 346565803 /nfs/dbraw/zinc/56/58/03/346565803.db2.gz NKZRJBGGDCDECH-RUXDESIVSA-N 1 0 257.443 3.067 10 0 CGAERO COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccns1 ZINC000404307287 346599751 /nfs/dbraw/zinc/59/97/51/346599751.db2.gz COAUHHBBJGAJFA-OAHLLOKOSA-N 1 0 274.389 3.319 10 0 CGAERO [NH3+][C@H](C1=CCCC1)c1nscc1Br ZINC000404817039 346601892 /nfs/dbraw/zinc/60/18/92/346601892.db2.gz QJTYTDOHIDFAEK-MRVPVSSYSA-N 1 0 259.172 3.016 10 0 CGAERO C[NH2+]C[C@@H]1[C@@H](c2ccc(Br)cc2)C1(F)F ZINC000409431509 346605435 /nfs/dbraw/zinc/60/54/35/346605435.db2.gz KIPZLUCINIPOFA-NXEZZACHSA-N 1 0 276.124 3.017 10 0 CGAERO CC[C@@H]([NH3+])Cc1cc(F)c(N2CCCCC2)c(F)c1 ZINC000111489582 136562204 /nfs/dbraw/zinc/56/22/04/136562204.db2.gz YPOOWKVDUNEXBS-GFCCVEGCSA-N 1 0 268.351 3.235 10 0 CGAERO FC1(CC[C@@H]2c3ccccc3-c3cncn32)CC[NH2+]CC1 ZINC000584638774 346701575 /nfs/dbraw/zinc/70/15/75/346701575.db2.gz HVZMEQXVMNLAJR-OAHLLOKOSA-N 1 0 285.366 3.325 10 0 CGAERO [NH2+]=CCc1nnc2c3cc(Cl)ccc3nc-2s1 ZINC000584639944 346702270 /nfs/dbraw/zinc/70/22/70/346702270.db2.gz OMKHSLVYDOTYPU-UHFFFAOYSA-N 1 0 262.725 3.037 10 0 CGAERO [NH3+]C[C@@H](c1ccc(F)cc1)N1CCCc2ccccc21 ZINC000019771639 136578291 /nfs/dbraw/zinc/57/82/91/136578291.db2.gz PHNQBUYNFVFMKU-KRWDZBQOSA-N 1 0 270.351 3.278 10 0 CGAERO Fc1ccc(Cl)cc1[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000584644756 346703455 /nfs/dbraw/zinc/70/34/55/346703455.db2.gz FXXXZAXEYWYHGN-JTQLQIEISA-N 1 0 267.653 3.273 10 0 CGAERO CCCCC[C@@](C[NH3+])(C(=O)OCC)c1cccc(OC)c1 ZINC000584595312 346686853 /nfs/dbraw/zinc/68/68/53/346686853.db2.gz MIWVKBGOYBUYLW-KRWDZBQOSA-N 1 0 293.407 3.035 10 0 CGAERO C[NH+](C)C[C@@H](Cc1ccccc1)[C@](C)(O)c1ccccc1 ZINC000584596432 346687579 /nfs/dbraw/zinc/68/75/79/346687579.db2.gz CUJDBHRWYXOKRI-RTBURBONSA-N 1 0 283.415 3.315 10 0 CGAERO COc1ccc2c(c1)[C@](C)(CC[NH+](C)C)C(C)=CC2 ZINC000584620393 346695276 /nfs/dbraw/zinc/69/52/76/346695276.db2.gz GVQFCTDQSBNNNV-QGZVFWFLSA-N 1 0 259.393 3.407 10 0 CGAERO C/C=C/C(=O)Nc1ccccc1SCCC[NH+](C)C ZINC000584624488 346696783 /nfs/dbraw/zinc/69/67/83/346696783.db2.gz NHFCHPYVKSHLKL-XBXARRHUSA-N 1 0 278.421 3.245 10 0 CGAERO C[NH+](C)CCC/C=C/CN1CCCc2ccccc21 ZINC000584636380 346700906 /nfs/dbraw/zinc/70/09/06/346700906.db2.gz SVQOTBCFCUOVIA-XBXARRHUSA-N 1 0 258.409 3.337 10 0 CGAERO C[NH2+][C@H](C)[C@H](C)c1nc([C@@H]2CCC[C@H](C)C2)no1 ZINC000104059156 185887889 /nfs/dbraw/zinc/88/78/89/185887889.db2.gz GVFOFOXHUWMHTN-NNYUYHANSA-N 1 0 251.374 3.075 10 0 CGAERO CC(C)(C)[N@@H+]1CCCC[C@@H]1c1ccccc1C(N)=O ZINC000616614495 348846725 /nfs/dbraw/zinc/84/67/25/348846725.db2.gz RJIGPSUOHJTYAT-CQSZACIVSA-N 1 0 260.381 3.111 10 0 CGAERO COc1ccc(Cl)cc1-c1cnc([C@H]2CCC[NH2+]2)cn1 ZINC000616577793 348834847 /nfs/dbraw/zinc/83/48/47/348834847.db2.gz IZMLTCRPQWEZPK-GFCCVEGCSA-N 1 0 289.766 3.230 10 0 CGAERO COc1ccccc1[C@@H]1CCc2ccccc2N1CC[NH3+] ZINC000616592273 348838759 /nfs/dbraw/zinc/83/87/59/348838759.db2.gz DTZYJVNIHJOKJN-KRWDZBQOSA-N 1 0 282.387 3.148 10 0 CGAERO CC(C)[N@@H+]1CCO[C@@H](c2nccc3ccccc32)CC1 ZINC000616596219 348839504 /nfs/dbraw/zinc/83/95/04/348839504.db2.gz RSTNUVPZNPNFMU-MRXNPFEDSA-N 1 0 270.376 3.407 10 0 CGAERO CC(=O)Nc1ccccc1[C@@H]1C[N@@H+](C(C)(C)C)CCCO1 ZINC000616598562 348840547 /nfs/dbraw/zinc/84/05/47/348840547.db2.gz NRXMFXUWSKZAMS-INIZCTEOSA-N 1 0 290.407 3.207 10 0 CGAERO Nc1ncccc1[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000616618913 348848147 /nfs/dbraw/zinc/84/81/47/348848147.db2.gz WPZMSBQZFFCMQZ-HNNXBMFYSA-N 1 0 267.376 3.043 10 0 CGAERO CC(C)[N@@H+]1CCCCC[C@H]1c1ccc(C(N)=O)cc1 ZINC000616621895 348848203 /nfs/dbraw/zinc/84/82/03/348848203.db2.gz QPVNCHFNOCTRMD-HNNXBMFYSA-N 1 0 260.381 3.111 10 0 CGAERO CCOC(=O)c1cccc([C@H]2CCCC[N@H+](CC)C2)c1 ZINC000616602082 348842485 /nfs/dbraw/zinc/84/24/85/348842485.db2.gz GLLGDXBPYNBASS-INIZCTEOSA-N 1 0 275.392 3.453 10 0 CGAERO CC[N@@H+]1CCCC[C@H](c2cc3ccccc3nn2)C1 ZINC000616603529 348843081 /nfs/dbraw/zinc/84/30/81/348843081.db2.gz VREWAYFVMPPSLF-AWEZNQCLSA-N 1 0 255.365 3.219 10 0 CGAERO CCOC(=O)c1ccc([C@H]2CCCC[N@H+](C)C2)cc1 ZINC000616603522 348843388 /nfs/dbraw/zinc/84/33/88/348843388.db2.gz VOKIGWDGUVJWCN-HNNXBMFYSA-N 1 0 261.365 3.063 10 0 CGAERO c1nc([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)co1 ZINC000616609676 348845136 /nfs/dbraw/zinc/84/51/36/348845136.db2.gz GOJCRXZYHWGAFS-OAHLLOKOSA-N 1 0 256.349 3.444 10 0 CGAERO OCc1cccc([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000616611774 348845827 /nfs/dbraw/zinc/84/58/27/348845827.db2.gz ONFMFYVQTTVACJ-GOSISDBHSA-N 1 0 267.372 3.168 10 0 CGAERO OCC[N@@H+]1CCCCC[C@@H]1c1cccc2ccncc21 ZINC000616623471 348848781 /nfs/dbraw/zinc/84/87/81/348848781.db2.gz FYUPXNALOGHPEN-QGZVFWFLSA-N 1 0 270.376 3.144 10 0 CGAERO c1nc([C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c[nH]1 ZINC000616630229 348852486 /nfs/dbraw/zinc/85/24/86/348852486.db2.gz TTXOTRKFCHNDPN-HNNXBMFYSA-N 1 0 255.365 3.179 10 0 CGAERO c1ccc(C[N@@H+]2CCCO[C@@H](c3cccnc3)C2)cc1 ZINC000616650480 348856794 /nfs/dbraw/zinc/85/67/94/348856794.db2.gz AEXTXMGDUUXEQO-QGZVFWFLSA-N 1 0 268.360 3.045 10 0 CGAERO COc1ccccc1[C@H]1C[N@@H+](C(C)(C)C)CCCO1 ZINC000616653890 348857627 /nfs/dbraw/zinc/85/76/27/348857627.db2.gz XXGRXTABHFSJBM-OAHLLOKOSA-N 1 0 263.381 3.257 10 0 CGAERO CC(C)[N@@H+]1CCOCC[C@H]1c1cc2ccccc2cn1 ZINC000616655812 348857826 /nfs/dbraw/zinc/85/78/26/348857826.db2.gz DFTGSGTUBRMZNB-KRWDZBQOSA-N 1 0 270.376 3.407 10 0 CGAERO CC(C)(C)OC(=O)Nc1cccc([C@H]2CC[NH2+]CCO2)c1 ZINC000616664660 348859524 /nfs/dbraw/zinc/85/95/24/348859524.db2.gz YAICOYDEMCNVAN-CQSZACIVSA-N 1 0 292.379 3.085 10 0 CGAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2ccc(F)cc2)CC1 ZINC000616666012 348859580 /nfs/dbraw/zinc/85/95/80/348859580.db2.gz COHOGOZOFINUPG-CQSZACIVSA-N 1 0 251.345 3.388 10 0 CGAERO C[N@@H+]1CCc2ccccc2[C@H]1c1ccc2ccnnc2c1 ZINC000616678679 348864320 /nfs/dbraw/zinc/86/43/20/348864320.db2.gz AZARHIKKFNFFBQ-GOSISDBHSA-N 1 0 275.355 3.207 10 0 CGAERO CC[C@@H]([NH3+])Cc1cc(F)ccc1N1CCCC[C@@H]1C ZINC000104261921 185947003 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1 0 280.362 3.196 10 0 CGAERO CCCCC1CCC(C(=O)NC2(C[NH3+])CCCC2)CC1 ZINC000111366057 287134088 /nfs/dbraw/zinc/13/40/88/287134088.db2.gz CQWLIRKNQSECDS-UHFFFAOYSA-N 1 0 280.456 3.371 10 0 CGAERO CC(C)[C@@H]1C[C@H]([NH2+][C@H](CN(C)C)c2ccccc2)CCO1 ZINC000251339021 165798018 /nfs/dbraw/zinc/79/80/18/165798018.db2.gz PWOJTHOZSKCRJT-KURKYZTESA-N 1 0 290.451 3.083 10 0 CGAERO CC[C@H](NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])c1cccs1 ZINC000261639056 165824109 /nfs/dbraw/zinc/82/41/09/165824109.db2.gz WVAMDBZEQGNFFU-AVGNSLFASA-N 1 0 280.437 3.223 10 0 CGAERO Cc1cnn(CC[NH2+][C@H]2c3cccc(F)c3CC[C@H]2C)c1 ZINC000123903638 287226837 /nfs/dbraw/zinc/22/68/37/287226837.db2.gz MKQYFPRISHTQFB-CXAGYDPISA-N 1 0 287.382 3.244 10 0 CGAERO Cc1cnn(CC[NH2+][C@@H](C)c2cc(C)c(C)cc2C)c1 ZINC000123839802 287225829 /nfs/dbraw/zinc/22/58/29/287225829.db2.gz AHAJJAWNCMLLQZ-INIZCTEOSA-N 1 0 271.408 3.468 10 0 CGAERO c1ccc(CC[NH2+]C[C@@H]2CCc3ccccc3N2)cc1 ZINC000005162340 170072667 /nfs/dbraw/zinc/07/26/67/170072667.db2.gz SDDCXRABBOAPJP-KRWDZBQOSA-N 1 0 266.388 3.246 10 0 CGAERO C[NH2+][C@@H](CCc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000005525983 170108580 /nfs/dbraw/zinc/10/85/80/170108580.db2.gz XHOSXLJHOLITFB-INIZCTEOSA-N 1 0 283.371 3.351 10 0 CGAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCNC(=O)c1ccco1 ZINC000124505122 287234146 /nfs/dbraw/zinc/23/41/46/287234146.db2.gz ZZOZHPOGPFZBQF-KGLIPLIRSA-N 1 0 292.423 3.204 10 0 CGAERO CCCCCn1c2ccccc2nc1NCC[NH+](C)C ZINC000006856558 170249415 /nfs/dbraw/zinc/24/94/15/170249415.db2.gz ZRAXKDWOUWIPFW-UHFFFAOYSA-N 1 0 274.412 3.200 10 0 CGAERO C[C@H]([NH3+])CC(C)(C)c1ccc(Br)cc1 ZINC000011631348 170429157 /nfs/dbraw/zinc/42/91/57/170429157.db2.gz UZRVTUULGUACMY-VIFPVBQESA-N 1 0 256.187 3.464 10 0 CGAERO [NH3+]CCCC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000011755468 170438799 /nfs/dbraw/zinc/43/87/99/170438799.db2.gz ZLRPGHUZEVYSCU-UHFFFAOYSA-N 1 0 280.677 3.036 10 0 CGAERO COc1ccc2c(c1)CC[C@@H](OCCC(C)C)[C@@H]2[NH3+] ZINC000019387452 170779936 /nfs/dbraw/zinc/77/99/36/170779936.db2.gz BHAZUQMURYLXIF-HZPDHXFCSA-N 1 0 263.381 3.073 10 0 CGAERO O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000019413219 170790253 /nfs/dbraw/zinc/79/02/53/170790253.db2.gz ZBUVZFCOKQXGCA-SNVBAGLBSA-N 1 0 292.688 3.049 10 0 CGAERO CSc1cccc(NC(=O)C[C@H]([NH3+])c2ccccc2)c1 ZINC000019424380 170794213 /nfs/dbraw/zinc/79/42/13/170794213.db2.gz DSSLMCABSXVGPH-HNNXBMFYSA-N 1 0 286.400 3.437 10 0 CGAERO Cc1cccc(OCc2ccccc2C(N)=[NH2+])c1C ZINC000019435931 170800015 /nfs/dbraw/zinc/80/00/15/170800015.db2.gz TUSSGHBPSBGEIM-UHFFFAOYSA-N 1 0 254.333 3.167 10 0 CGAERO NC(=[NH2+])c1ccc(OCc2ccc(F)cc2Cl)cc1 ZINC000019438408 170800924 /nfs/dbraw/zinc/80/09/24/170800924.db2.gz ZEBOULQHPLZGSW-UHFFFAOYSA-N 1 0 278.714 3.342 10 0 CGAERO Cc1cccc(Cn2cc(CC[NH3+])c3ccccc32)c1 ZINC000019787540 170866067 /nfs/dbraw/zinc/86/60/67/170866067.db2.gz REVXKCJRUFSEOE-UHFFFAOYSA-N 1 0 264.372 3.499 10 0 CGAERO [NH3+]C[C@@H]1CCN(c2cc(Cl)c(Cl)cc2Cl)C1 ZINC000019808233 170877439 /nfs/dbraw/zinc/87/74/39/170877439.db2.gz CWLSLFSVOSMTJR-ZETCQYMHSA-N 1 0 279.598 3.432 10 0 CGAERO COc1ccc(COCc2cc(C[NH3+])ccc2F)cc1 ZINC000019965633 170947132 /nfs/dbraw/zinc/94/71/32/170947132.db2.gz XTDJDBHRPAEGLZ-UHFFFAOYSA-N 1 0 275.323 3.010 10 0 CGAERO CCCCC[NH2+]C[C@H](c1cccc(OC)c1)N(C)C ZINC000020070560 170982385 /nfs/dbraw/zinc/98/23/85/170982385.db2.gz NAMUKFZAOIRYHS-MRXNPFEDSA-N 1 0 264.413 3.078 10 0 CGAERO CCCC[C@@H]([NH2+]CCNC(=O)C(C)C)c1ccc(F)cc1 ZINC000020125467 171008484 /nfs/dbraw/zinc/00/84/84/171008484.db2.gz IDUCEQORHSNIIC-MRXNPFEDSA-N 1 0 294.414 3.419 10 0 CGAERO CC(C)[C@H](CNCc1ccc([C@@H]2C[C@@H]2C)o1)[NH+](C)C ZINC000020145562 171030748 /nfs/dbraw/zinc/03/07/48/171030748.db2.gz MBUVMFHIUBQTRX-CFVMTHIKSA-N 1 0 264.413 3.079 10 0 CGAERO COCCOCCC[NH2+][C@H](C)c1nc2ccccc2s1 ZINC000020192449 171058365 /nfs/dbraw/zinc/05/83/65/171058365.db2.gz URZKYJLBWKGULC-GFCCVEGCSA-N 1 0 294.420 3.000 10 0 CGAERO C=COCCC[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000020197373 171061086 /nfs/dbraw/zinc/06/10/86/171061086.db2.gz MUYUMYOGCJAFPE-LLVKDONJSA-N 1 0 271.307 3.489 10 0 CGAERO C[N@H+](CC1CCCCC1)[C@H](CN)c1cccs1 ZINC000020225347 171087242 /nfs/dbraw/zinc/08/72/42/171087242.db2.gz TXPRIFRYQVWOIR-CYBMUJFWSA-N 1 0 252.427 3.260 10 0 CGAERO COc1ccc(CN(C)[C@H](C[NH3+])c2ccc(C)cc2)cc1 ZINC000020225563 171088644 /nfs/dbraw/zinc/08/86/44/171088644.db2.gz NZSYHPGUUCQJMK-GOSISDBHSA-N 1 0 284.403 3.135 10 0 CGAERO CCCOc1cccc([C@@H](CN)[N@H+](C)CC(C)C)c1 ZINC000020226616 171091409 /nfs/dbraw/zinc/09/14/09/171091409.db2.gz DLQOVMGDKWYWFP-MRXNPFEDSA-N 1 0 264.413 3.063 10 0 CGAERO Cc1ccc(C)c([C@H]([NH3+])Cn2ccnc2C(C)C)c1 ZINC000020261972 171119904 /nfs/dbraw/zinc/11/99/04/171119904.db2.gz ZOHMCSYTQHGDAR-OAHLLOKOSA-N 1 0 257.381 3.323 10 0 CGAERO CC(C)CCNC(=O)[C@@H](C)[NH2+]C1CCCCCCC1 ZINC000020365567 171164057 /nfs/dbraw/zinc/16/40/57/171164057.db2.gz NKRZYKNHFHWLDD-CQSZACIVSA-N 1 0 268.445 3.240 10 0 CGAERO Cc1nc(C[NH3+])cc(-c2ccc(Cl)cc2Cl)n1 ZINC000020384110 171175424 /nfs/dbraw/zinc/17/54/24/171175424.db2.gz JVLPCBAPCWEIKF-UHFFFAOYSA-N 1 0 268.147 3.218 10 0 CGAERO C[C@@H](Oc1cccc([C@H](C)[NH3+])c1)C(=O)Nc1ccccc1 ZINC000020419805 171185331 /nfs/dbraw/zinc/18/53/31/171185331.db2.gz UGRYLGKDFQJBLT-QWHCGFSZSA-N 1 0 284.359 3.112 10 0 CGAERO Clc1cccc(N[C@H]2C[NH+]3CCC2CC3)c1Cl ZINC000020442046 171205390 /nfs/dbraw/zinc/20/53/90/171205390.db2.gz ZXFLDMORIYUOAG-LBPRGKRZSA-N 1 0 271.191 3.500 10 0 CGAERO CCC(C)(C)O[C@H]1CCc2cc(OC)ccc2[C@H]1[NH3+] ZINC000020511738 171231086 /nfs/dbraw/zinc/23/10/86/171231086.db2.gz ARIMEQJATWZSBK-LSDHHAIUSA-N 1 0 263.381 3.215 10 0 CGAERO CCC(CC)[C@H](C[NH2+][C@H](C)CC(C)(C)OC)N(C)C ZINC000020524772 171237780 /nfs/dbraw/zinc/23/77/80/171237780.db2.gz SQPLABWNOCWNPB-HIFRSBDPSA-N 1 0 272.477 3.146 10 0 CGAERO CCC[NH+](CCC)[C@@]1(CN)CCCc2ccccc21 ZINC000020551780 171247589 /nfs/dbraw/zinc/24/75/89/171247589.db2.gz XMDLFIYQSAKGEW-QGZVFWFLSA-N 1 0 260.425 3.299 10 0 CGAERO C[C@@H]1CCCC[N@@H+]1C[C@@H](N)C12CC3CC(CC(C3)C1)C2 ZINC000020555474 171250064 /nfs/dbraw/zinc/25/00/64/171250064.db2.gz UPZCRGLJFSBOPL-IXRCJPEJSA-N 1 0 276.468 3.405 10 0 CGAERO Nc1c[nH+]ccc1Nc1cccc(Br)c1 ZINC000020585556 171258884 /nfs/dbraw/zinc/25/88/84/171258884.db2.gz XECGWYKSVYOFRZ-UHFFFAOYSA-N 1 0 264.126 3.170 10 0 CGAERO CCCOc1ccccc1C[NH2+]C[C@H](O)c1ccccc1 ZINC000020924524 171279924 /nfs/dbraw/zinc/27/99/24/171279924.db2.gz KPBGKAVCEBXBRT-KRWDZBQOSA-N 1 0 285.387 3.299 10 0 CGAERO CCCCCC[NH2+]Cc1ccc(OCCO)c(OCC)c1 ZINC000020934649 171281149 /nfs/dbraw/zinc/28/11/49/171281149.db2.gz DDVBVZYXGOGJSG-UHFFFAOYSA-N 1 0 295.423 3.126 10 0 CGAERO Cc1ccc([C@H]([NH3+])CN2c3ccccc3C[C@@H]2C)cc1 ZINC000021509483 171309701 /nfs/dbraw/zinc/30/97/01/171309701.db2.gz BKILDLYKIIDKQM-WMLDXEAASA-N 1 0 266.388 3.446 10 0 CGAERO CC(C)Oc1ccc([C@@H](N)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000021788273 171322806 /nfs/dbraw/zinc/32/28/06/171322806.db2.gz IENJYVMKIFUDES-DAYGRLMNSA-N 1 0 290.451 3.452 10 0 CGAERO C[C@H]1CCC[C@H](C)C1[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000021818390 171333459 /nfs/dbraw/zinc/33/34/59/171333459.db2.gz OZRNBCRQFVCZCT-MELADBBJSA-N 1 0 275.392 3.241 10 0 CGAERO Nc1cc(Cl)ccc1NC(=O)CC[NH+]1CCCCCC1 ZINC000022153701 171360592 /nfs/dbraw/zinc/36/05/92/171360592.db2.gz SWBOHTDBMYTKRJ-UHFFFAOYSA-N 1 0 295.814 3.127 10 0 CGAERO Cc1cc(N)ccc1NC(=O)CCC[N@H+]1CCCC[C@@H]1C ZINC000022155608 171362266 /nfs/dbraw/zinc/36/22/66/171362266.db2.gz SDHGWUOSIGLWJP-AWEZNQCLSA-N 1 0 289.423 3.170 10 0 CGAERO Cc1ccc([C@H](C[NH3+])N2CCc3sccc3C2)c(C)c1 ZINC000022165287 171365869 /nfs/dbraw/zinc/36/58/69/171365869.db2.gz GLUCJRUFQKFEDI-INIZCTEOSA-N 1 0 286.444 3.423 10 0 CGAERO C[C@H]1C[C@@H]1c1ccc([C@@H](C[NH3+])N2CCCCCC2)o1 ZINC000022172368 171368515 /nfs/dbraw/zinc/36/85/15/171368515.db2.gz UYHKWWLUYHMWBD-MELADBBJSA-N 1 0 262.397 3.279 10 0 CGAERO C[C@H]1C[C@H]1c1ccc([C@@H](C[NH3+])N2CCCCCC2)o1 ZINC000022172373 171368743 /nfs/dbraw/zinc/36/87/43/171368743.db2.gz UYHKWWLUYHMWBD-BFHYXJOUSA-N 1 0 262.397 3.279 10 0 CGAERO Nc1cc(Cl)ccc1NC(=O)CCC[NH+]1CCCCC1 ZINC000022174857 171369967 /nfs/dbraw/zinc/36/99/67/171369967.db2.gz IOJSEANQTFXTMW-UHFFFAOYSA-N 1 0 295.814 3.127 10 0 CGAERO CCOc1ccccc1[C@@H](N)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000022564446 171391870 /nfs/dbraw/zinc/39/18/70/171391870.db2.gz JANXNJAJRSZLGQ-LZWOXQAQSA-N 1 0 276.424 3.348 10 0 CGAERO CC(C)[NH2+]C[C@@H](O)c1cccc(OC2CCCC2)c1 ZINC000032113178 171706655 /nfs/dbraw/zinc/70/66/55/171706655.db2.gz JEZKBLHNUNWXKU-MRXNPFEDSA-N 1 0 263.381 3.039 10 0 CGAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H]1CCC[NH2+]C1 ZINC000034790450 171867056 /nfs/dbraw/zinc/86/70/56/171867056.db2.gz OYMXZZUVHGVTAH-KLHDSHLOSA-N 1 0 253.430 3.463 10 0 CGAERO CCOCCOc1cccc(Cl)c1C[NH2+]C1CC1 ZINC000034831936 171880371 /nfs/dbraw/zinc/88/03/71/171880371.db2.gz CCVAJEPSGQAOBT-UHFFFAOYSA-N 1 0 269.772 3.007 10 0 CGAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC000035221888 172064662 /nfs/dbraw/zinc/06/46/62/172064662.db2.gz AMRSQKYQOKONMJ-BBRMVZONSA-N 1 0 288.435 3.347 10 0 CGAERO CSCCC[NH2+][C@H]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000035273305 172093432 /nfs/dbraw/zinc/09/34/32/172093432.db2.gz SZAJPOKEVMIFCJ-WDEREUQCSA-N 1 0 285.375 3.219 10 0 CGAERO C[NH+](C)Cc1ccccc1NCc1ccccc1F ZINC000035276729 172096718 /nfs/dbraw/zinc/09/67/18/172096718.db2.gz LGNUGZIRVAULCN-UHFFFAOYSA-N 1 0 258.340 3.499 10 0 CGAERO C[C@@H]1[NH2+]C[C@@H](c2ccccc2)O[C@@H]1c1ccccc1 ZINC000035285471 172103336 /nfs/dbraw/zinc/10/33/36/172103336.db2.gz IVDXEFNKIGIFDS-JQFCIGGWSA-N 1 0 253.345 3.477 10 0 CGAERO CC[C@@H]1CSC(NCc2ccc(Cl)cc2)=[NH+]1 ZINC000035287055 172105086 /nfs/dbraw/zinc/10/50/86/172105086.db2.gz IOQQFTFDISLFLP-LLVKDONJSA-N 1 0 254.786 3.311 10 0 CGAERO [NH3+][C@@H](c1ccoc1)c1ccc(Br)cc1 ZINC000035379576 172161913 /nfs/dbraw/zinc/16/19/13/172161913.db2.gz HRANFBPTFJVPLW-LLVKDONJSA-N 1 0 252.111 3.090 10 0 CGAERO CC[C@H]([NH3+])c1nc2cc(Br)ccc2s1 ZINC000035411302 172182844 /nfs/dbraw/zinc/18/28/44/172182844.db2.gz GAEWICWUZMMNNP-ZETCQYMHSA-N 1 0 271.183 3.469 10 0 CGAERO COc1ccc([C@@H]([NH3+])c2cc(C)ccc2C)cc1F ZINC000035424586 172193365 /nfs/dbraw/zinc/19/33/65/172193365.db2.gz OLUBKEAOCKXWJA-MRXNPFEDSA-N 1 0 259.324 3.499 10 0 CGAERO CC[C@H]([NH2+]C)c1cc(Br)ccc1OC ZINC000035456126 172206793 /nfs/dbraw/zinc/20/67/93/172206793.db2.gz IJGHDVAXMYGLMI-JTQLQIEISA-N 1 0 258.159 3.128 10 0 CGAERO C[NH2+][C@@H](c1ccco1)c1ccc(OC)c(Br)c1 ZINC000035455006 172206926 /nfs/dbraw/zinc/20/69/26/172206926.db2.gz JPVNCYZEDHXLQY-CYBMUJFWSA-N 1 0 296.164 3.360 10 0 CGAERO C[NH2+][C@H](c1ccc(Br)cc1)c1cccnc1 ZINC000035462547 172210898 /nfs/dbraw/zinc/21/08/98/172210898.db2.gz UWZJLIRDHNVQNY-CYBMUJFWSA-N 1 0 277.165 3.153 10 0 CGAERO CCC[C@@H](C)[C@@H]([NH2+]C)c1ccc(OC)c(OC)c1 ZINC000035463269 172210957 /nfs/dbraw/zinc/21/09/57/172210957.db2.gz XNVVWTVEPCACCA-IAQYHMDHSA-N 1 0 251.370 3.401 10 0 CGAERO C[NH2+][C@H](Cc1ccccc1)c1ccc2c(c1)CCO2 ZINC000035467989 172216783 /nfs/dbraw/zinc/21/67/83/172216783.db2.gz RUUIOMRAQDUJDK-MRXNPFEDSA-N 1 0 253.345 3.125 10 0 CGAERO C[NH2+][C@H](c1ccc(OC)cc1C)c1ccccc1F ZINC000035468475 172217485 /nfs/dbraw/zinc/21/74/85/172217485.db2.gz SUYKWYJHDSGMHV-MRXNPFEDSA-N 1 0 259.324 3.452 10 0 CGAERO C[NH2+][C@@H](c1sccc1C)c1ccc2c(c1)OCCO2 ZINC000035469628 172220622 /nfs/dbraw/zinc/22/06/22/172220622.db2.gz QVSFOVPBOPOFSD-CQSZACIVSA-N 1 0 275.373 3.137 10 0 CGAERO C[NH2+][C@H](c1ccc(OC(C)C)cc1)c1cccnc1 ZINC000035498705 172232519 /nfs/dbraw/zinc/23/25/19/172232519.db2.gz OPVINBDDQWPVLI-MRXNPFEDSA-N 1 0 256.349 3.178 10 0 CGAERO C[NH2+][C@@H](c1cc(OC)c(OC)cc1Cl)C(C)C ZINC000035501215 172235390 /nfs/dbraw/zinc/23/53/90/172235390.db2.gz CIUXCZVIIVHDBU-CYBMUJFWSA-N 1 0 257.761 3.274 10 0 CGAERO C[NH2+][C@H](c1cc(OC)c(OC)cc1Cl)C1CCC1 ZINC000035501289 172235888 /nfs/dbraw/zinc/23/58/88/172235888.db2.gz BDLSALCULUZYDY-AWEZNQCLSA-N 1 0 269.772 3.418 10 0 CGAERO C[NH2+][C@H](c1ccccc1)c1ccc2c(c1)C[C@H](C)O2 ZINC000035504584 172238672 /nfs/dbraw/zinc/23/86/72/172238672.db2.gz XNNYUJNSCASZDT-YVEFUNNKSA-N 1 0 253.345 3.319 10 0 CGAERO C[NH2+][C@H](CC(F)(F)F)c1cc2c(cc1Cl)NC(=O)C2 ZINC000035507381 172239785 /nfs/dbraw/zinc/23/97/85/172239785.db2.gz ZWDMKNWXAIUIHI-SNVBAGLBSA-N 1 0 292.688 3.048 10 0 CGAERO Cc1cnn(C)c1C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000285257661 196234637 /nfs/dbraw/zinc/23/46/37/196234637.db2.gz AZKSNKLNLADXJS-CQSZACIVSA-N 1 0 257.381 3.196 10 0 CGAERO CCC[NH2+][C@@H](c1cnn(C)c1)c1cccc(Cl)c1 ZINC000035584306 172283634 /nfs/dbraw/zinc/28/36/34/172283634.db2.gz BYGDAZHGPQWYKL-CQSZACIVSA-N 1 0 263.772 3.163 10 0 CGAERO CCC[NH2+][C@H](Cc1ncc[nH]1)c1ccccc1Cl ZINC000035586355 172286159 /nfs/dbraw/zinc/28/61/59/172286159.db2.gz USOJIUDAEFHPCQ-CYBMUJFWSA-N 1 0 263.772 3.347 10 0 CGAERO CC[NH2+]Cc1nccn1Cc1cccc(C(F)(F)F)c1 ZINC000035636822 172320462 /nfs/dbraw/zinc/32/04/62/172320462.db2.gz COZQDHZNUPXVJO-UHFFFAOYSA-N 1 0 283.297 3.060 10 0 CGAERO C[NH2+][C@@H]1CCOc2c(Cl)cc(Br)cc21 ZINC000035653751 172330354 /nfs/dbraw/zinc/33/03/54/172330354.db2.gz FQCOIFBVTSMONT-SECBINFHSA-N 1 0 276.561 3.146 10 0 CGAERO CC(C)CC[C@@](C)(C[NH3+])N(C)Cc1cccs1 ZINC000035717187 172371666 /nfs/dbraw/zinc/37/16/66/172371666.db2.gz RJZYLOZHRHNEBA-AWEZNQCLSA-N 1 0 254.443 3.334 10 0 CGAERO [NH3+]Cc1cccnc1Sc1ccccc1Br ZINC000035719920 172374859 /nfs/dbraw/zinc/37/48/59/172374859.db2.gz ZWFFXCNDBBGZLF-UHFFFAOYSA-N 1 0 295.205 3.454 10 0 CGAERO COc1cccc(S[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000035723291 172378925 /nfs/dbraw/zinc/37/89/25/172378925.db2.gz IYNRRKALDLMCBN-RISCZKNCSA-N 1 0 251.395 3.305 10 0 CGAERO Cc1csc(SCc2ccc(C[NH3+])cc2)n1 ZINC000035724614 172379904 /nfs/dbraw/zinc/37/99/04/172379904.db2.gz XUYDLTKIDKZPJV-UHFFFAOYSA-N 1 0 250.392 3.203 10 0 CGAERO COc1cc([C@H](C)[NH2+][C@@H](C)c2ccco2)ccc1O ZINC000035738864 172392674 /nfs/dbraw/zinc/39/26/74/172392674.db2.gz QFRLJHAEXOBUGI-QWRGUYRKSA-N 1 0 261.321 3.406 10 0 CGAERO C[C@@H]1CSc2c(Br)cccc2[C@@H]1[NH3+] ZINC000035755534 172397053 /nfs/dbraw/zinc/39/70/53/172397053.db2.gz DMVBLYBXBCAOKD-HZGVNTEJSA-N 1 0 258.184 3.191 10 0 CGAERO [NH3+]Cc1cc(Cl)cc(Cl)c1OC[C@@H]1CCCCO1 ZINC000036230859 172527844 /nfs/dbraw/zinc/52/78/44/172527844.db2.gz ANTWYGWXLXFJKU-NSHDSACASA-N 1 0 290.190 3.400 10 0 CGAERO CC[N@@H+]1CCC[C@H]([C@@H](C)Nc2ccc(F)c(F)c2)C1 ZINC000037209778 173031560 /nfs/dbraw/zinc/03/15/60/173031560.db2.gz LBVZOJGHEIAPHO-NEPJUHHUSA-N 1 0 268.351 3.497 10 0 CGAERO CCc1ccc([C@H](N)[C@H](C)[NH+]2CCC(C)CC2)cc1 ZINC000037223649 173043782 /nfs/dbraw/zinc/04/37/82/173043782.db2.gz ZSNYPFWFYQMSED-WMLDXEAASA-N 1 0 260.425 3.369 10 0 CGAERO CCc1ccc([C@H](N)[C@@H](C)[NH+]2CCC(C)CC2)cc1 ZINC000037223647 173044082 /nfs/dbraw/zinc/04/40/82/173044082.db2.gz ZSNYPFWFYQMSED-RHSMWYFYSA-N 1 0 260.425 3.369 10 0 CGAERO Cc1ccc(N(CCC[NH3+])c2ccc(F)cc2)nc1 ZINC000037298294 173102878 /nfs/dbraw/zinc/10/28/78/173102878.db2.gz KUPWMZMRZCSSSC-UHFFFAOYSA-N 1 0 259.328 3.016 10 0 CGAERO CC[C@H]([NH2+][C@H](C)c1nnc2n1CCCCC2)C(C)C ZINC000037318555 173118346 /nfs/dbraw/zinc/11/83/46/173118346.db2.gz QQAXPEINQRBOSF-OLZOCXBDSA-N 1 0 264.417 3.090 10 0 CGAERO CC[C@@H](C)[NH2+]CC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000037386359 173168405 /nfs/dbraw/zinc/16/84/05/173168405.db2.gz PIBONHISYYNXAT-MRVPVSSYSA-N 1 0 275.179 3.320 10 0 CGAERO CCc1ccc(-c2noc(C[NH2+][C@@H](C)CC)n2)cc1 ZINC000037389488 173172106 /nfs/dbraw/zinc/17/21/06/173172106.db2.gz QOGMFDODQJEMLN-NSHDSACASA-N 1 0 259.353 3.187 10 0 CGAERO CC(C)C[C@H]([NH3+])Cc1ccc(Br)cc1 ZINC000037466265 173226745 /nfs/dbraw/zinc/22/67/45/173226745.db2.gz FNELUCOVAGRGJR-LBPRGKRZSA-N 1 0 256.187 3.365 10 0 CGAERO CC[NH2+][C@@H](Cc1ccccc1Cl)C[C@@H]1CCCO1 ZINC000037535229 173254402 /nfs/dbraw/zinc/25/44/02/173254402.db2.gz TZVQEQINKZBTFW-KBPBESRZSA-N 1 0 267.800 3.430 10 0 CGAERO COc1cc(C[C@H](C)[NH3+])cc(Cl)c1OC/C=C/Cl ZINC000037722910 173641672 /nfs/dbraw/zinc/64/16/72/173641672.db2.gz IBWFWPOMFYHXMJ-NWALNABHSA-N 1 0 290.190 3.370 10 0 CGAERO FC(F)Sc1ccccc1NC1CC[NH2+]CC1 ZINC000038040523 174041197 /nfs/dbraw/zinc/04/11/97/174041197.db2.gz FGKRYQJTSIXNQH-UHFFFAOYSA-N 1 0 258.337 3.165 10 0 CGAERO CC[C@H](C)[C@@H](C(=O)N[C@@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000038049357 174060448 /nfs/dbraw/zinc/06/04/48/174060448.db2.gz HNUARWLSZHIZOD-QMCVQRASSA-N 1 0 288.435 3.202 10 0 CGAERO Cc1cc([C@@H]([NH3+])c2ccc3c(c2)CCCO3)c(C)o1 ZINC000038057645 174068093 /nfs/dbraw/zinc/06/80/93/174068093.db2.gz DIJJOERNKREEMG-INIZCTEOSA-N 1 0 257.333 3.270 10 0 CGAERO CC[C@H](C)[NH2+][C@](C)(C(N)=O)c1ccc(Cl)c(Cl)c1 ZINC000038065737 174076815 /nfs/dbraw/zinc/07/68/15/174076815.db2.gz YABCSGYCPCQXFR-SDBXPKJASA-N 1 0 289.206 3.082 10 0 CGAERO COc1cc(C[NH3+])c(-c2ccc(Cl)cc2)cc1OC ZINC000038069956 174081117 /nfs/dbraw/zinc/08/11/17/174081117.db2.gz LRGOZKXBZALAQM-UHFFFAOYSA-N 1 0 277.751 3.483 10 0 CGAERO Cc1cc(C)cc(COc2ccc(C(N)=[NH2+])cc2)c1 ZINC000038076847 174087709 /nfs/dbraw/zinc/08/77/09/174087709.db2.gz IUIHYHSFGJBPLS-UHFFFAOYSA-N 1 0 254.333 3.167 10 0 CGAERO C[C@@H](CN[C@H](CC(F)(F)F)c1ccccc1)[NH+](C)C ZINC000038087497 174099228 /nfs/dbraw/zinc/09/92/28/174099228.db2.gz LQRORXQUWVZBMY-WCQYABFASA-N 1 0 274.330 3.220 10 0 CGAERO CC(C)C[C@H]([NH3+])C(=O)N(C)[C@H](C)c1cccc(Cl)c1 ZINC000038101377 174116820 /nfs/dbraw/zinc/11/68/20/174116820.db2.gz VEKKPKAQIUWSFV-RISCZKNCSA-N 1 0 282.815 3.233 10 0 CGAERO CC(C)C[C@@H]([NH3+])C(=O)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000038101376 174116904 /nfs/dbraw/zinc/11/69/04/174116904.db2.gz VEKKPKAQIUWSFV-SMDDNHRTSA-N 1 0 282.815 3.233 10 0 CGAERO CCCCC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C ZINC000038131450 174131694 /nfs/dbraw/zinc/13/16/94/174131694.db2.gz WPKRANGPTOGLLE-CQSZACIVSA-N 1 0 265.397 3.415 10 0 CGAERO CC1CCN([C@@H](C[NH3+])c2cccc(Br)c2)CC1 ZINC000038827555 174156417 /nfs/dbraw/zinc/15/64/17/174156417.db2.gz ALTGSFXYAWTWOH-AWEZNQCLSA-N 1 0 297.240 3.181 10 0 CGAERO CC(C)Oc1ccc([C@@H](CN)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000039789152 174173161 /nfs/dbraw/zinc/17/31/61/174173161.db2.gz QAJBMLFVHKPSNW-RVKKMQEKSA-N 1 0 290.451 3.452 10 0 CGAERO C[C@@H]1CCC[C@H](C)N1[C@H](C[NH3+])c1ccc(F)cc1 ZINC000039789059 174173333 /nfs/dbraw/zinc/17/33/33/174173333.db2.gz WHNDCFSIBZUVBT-TYNCELHUSA-N 1 0 250.361 3.088 10 0 CGAERO C[C@@H]1CCC[C@H](C)N1[C@@H](C[NH3+])c1ccccc1F ZINC000039789052 174173740 /nfs/dbraw/zinc/17/37/40/174173740.db2.gz PHJYKSUFIFYPKN-ZOWXZIJZSA-N 1 0 250.361 3.088 10 0 CGAERO CC(C)Oc1ccc2ccccc2c1C[NH2+]C[C@H](C)O ZINC000040743930 174391311 /nfs/dbraw/zinc/39/13/11/174391311.db2.gz UPYMZBKFFFQFSW-ZDUSSCGKSA-N 1 0 273.376 3.097 10 0 CGAERO CC[NH2+]Cc1cnc(-c2ccccc2OCC)s1 ZINC000040997001 174446635 /nfs/dbraw/zinc/44/66/35/174446635.db2.gz CBJDETCQWOZOOF-UHFFFAOYSA-N 1 0 262.378 3.318 10 0 CGAERO C[NH2+]CC[C@H](c1cc(Cl)ccc1OC)C1CC1 ZINC000041324018 174520451 /nfs/dbraw/zinc/52/04/51/174520451.db2.gz GIXPSXSCFKJBOV-LBPRGKRZSA-N 1 0 253.773 3.452 10 0 CGAERO CCCCCNC(=O)[C@H](C)[NH2+][C@@H](C)CCCCC ZINC000042570316 174799818 /nfs/dbraw/zinc/79/98/18/174799818.db2.gz ZHLUSECNUNSVIH-KBPBESRZSA-N 1 0 256.434 3.240 10 0 CGAERO CCCN(CC(F)(F)F)[C@@H]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC000042741128 174862683 /nfs/dbraw/zinc/86/26/83/174862683.db2.gz CPDMRNWFVAUEGH-IJLUTSLNSA-N 1 0 266.351 3.024 10 0 CGAERO CCCN(CCCCCCC[NH3+])CC(F)(F)F ZINC000042782006 174877796 /nfs/dbraw/zinc/87/77/96/174877796.db2.gz XMLHVGUWDBAVDB-UHFFFAOYSA-N 1 0 254.340 3.170 10 0 CGAERO Cc1ccc([C@@H]([C@H](C)[NH3+])N(C)Cc2ccco2)cc1 ZINC000042908374 174909152 /nfs/dbraw/zinc/90/91/52/174909152.db2.gz SQRVJJBWVGCMLJ-XJKSGUPXSA-N 1 0 258.365 3.108 10 0 CGAERO Cc1nnc(S[C@H](c2ccc(C)cc2)[C@H](C)[NH3+])s1 ZINC000042912415 174910654 /nfs/dbraw/zinc/91/06/54/174910654.db2.gz YQCFFVLXRAXMOR-CABZTGNLSA-N 1 0 279.434 3.336 10 0 CGAERO CC[C@@H]([NH3+])[C@@H](Sc1ncccn1)c1ccc(C)cc1 ZINC000042943373 174918945 /nfs/dbraw/zinc/91/89/45/174918945.db2.gz GWTVHOCCBYCBSW-KGLIPLIRSA-N 1 0 273.405 3.356 10 0 CGAERO CC[C@@H]([NH3+])[C@@H](SCCOC)c1ccc(Cl)cc1 ZINC000042950969 174923659 /nfs/dbraw/zinc/92/36/59/174923659.db2.gz KPBWQYVXGZRLLY-OLZOCXBDSA-N 1 0 273.829 3.498 10 0 CGAERO Cc1nn([C@@H](C[NH3+])c2ccccc2Cl)c(C)c1C ZINC000043053303 174960770 /nfs/dbraw/zinc/96/07/70/174960770.db2.gz SYNBKYUNPXWCIQ-AWEZNQCLSA-N 1 0 263.772 3.010 10 0 CGAERO C[C@H]([NH3+])[C@H](c1cccs1)N(C)Cc1cccc(F)c1 ZINC000043103149 174968657 /nfs/dbraw/zinc/96/86/57/174968657.db2.gz RPXIJPZDWFRHIR-XHDPSFHLSA-N 1 0 278.396 3.408 10 0 CGAERO C[NH2+][C@@H]1CCC[C@@H]1Cc1sccc1Br ZINC000043676295 175088216 /nfs/dbraw/zinc/08/82/16/175088216.db2.gz MYJAPWHPEDAOER-PSASIEDQSA-N 1 0 274.227 3.441 10 0 CGAERO [NH3+][C@@H]1CCC[C@H]1Cc1cc(Br)cs1 ZINC000043688099 175095847 /nfs/dbraw/zinc/09/58/47/175095847.db2.gz AEXJWCGQLOTXDW-OIBJUYFYSA-N 1 0 260.200 3.181 10 0 CGAERO Cc1cc(C)c([C@@H](O)C[NH+]2CCC(C)CC2)c(C)c1 ZINC000044114825 175141531 /nfs/dbraw/zinc/14/15/31/175141531.db2.gz BSQWSAFLBAVFPZ-INIZCTEOSA-N 1 0 261.409 3.377 10 0 CGAERO Cc1cc(C)c([C@H](O)C[NH+]2CCC(C)CC2)c(C)c1 ZINC000044114822 175141812 /nfs/dbraw/zinc/14/18/12/175141812.db2.gz BSQWSAFLBAVFPZ-MRXNPFEDSA-N 1 0 261.409 3.377 10 0 CGAERO CCOc1ccc([C@@H](O)C[N@H+](C)C2CCCCC2)cc1 ZINC000044120598 175142746 /nfs/dbraw/zinc/14/27/46/175142746.db2.gz VDIRLWNHZQNVEA-KRWDZBQOSA-N 1 0 277.408 3.383 10 0 CGAERO COc1ccc(OC)c([C@@H]([NH3+])c2cc(C)sc2C)c1 ZINC000044482121 175179595 /nfs/dbraw/zinc/17/95/95/175179595.db2.gz OCNYBJRWSMIQCF-HNNXBMFYSA-N 1 0 277.389 3.430 10 0 CGAERO COc1ccccc1-c1nc(C)c(C[NH2+]C2CC2)s1 ZINC000045205723 175327922 /nfs/dbraw/zinc/32/79/22/175327922.db2.gz OZUABKCMDSAZAC-UHFFFAOYSA-N 1 0 274.389 3.379 10 0 CGAERO CCCC[NH2+]Cc1nn(C(C)C)nc1-c1ccccc1 ZINC000045944875 175387434 /nfs/dbraw/zinc/38/74/34/175387434.db2.gz CHFPHAWANINXHO-UHFFFAOYSA-N 1 0 272.396 3.416 10 0 CGAERO Clc1ccc(C[NH2+]CCc2c[nH]cn2)cc1Cl ZINC000045946327 175387753 /nfs/dbraw/zinc/38/77/53/175387753.db2.gz ORVIMUZUAQWCTC-UHFFFAOYSA-N 1 0 270.163 3.049 10 0 CGAERO CCCn1cc(C[NH2+]C[C@H]2CCCO2)c2ccccc21 ZINC000045945207 175387952 /nfs/dbraw/zinc/38/79/52/175387952.db2.gz GQYLHCUDGYUPNX-OAHLLOKOSA-N 1 0 272.392 3.320 10 0 CGAERO C[C@H](C[NH2+]CCc1nc2ccccc2[nH]1)c1ccccc1 ZINC000057353449 175594598 /nfs/dbraw/zinc/59/45/98/175594598.db2.gz DUXSJUKFBZXNMO-CQSZACIVSA-N 1 0 279.387 3.499 10 0 CGAERO CC(C)CN(Cc1ccc(Cl)cc1)[C@H]1CC[NH2+]C1 ZINC000059716477 175633422 /nfs/dbraw/zinc/63/34/22/175633422.db2.gz OZEHAJVTLPZEMY-HNNXBMFYSA-N 1 0 266.816 3.160 10 0 CGAERO CC(C)CC[C@H](C)[NH2+]C[C@@H](O)CO[C@@H](C)CC(C)C ZINC000070185104 175880238 /nfs/dbraw/zinc/88/02/38/175880238.db2.gz HZXRAVHYQJGPSU-HRCADAONSA-N 1 0 273.461 3.213 10 0 CGAERO CCC[NH2+][C@@H]1CCC[C@H]1Oc1cc(F)ccc1F ZINC000071167685 176049438 /nfs/dbraw/zinc/04/94/38/176049438.db2.gz OCDXQXUWAGKUEN-CHWSQXEVSA-N 1 0 255.308 3.264 10 0 CGAERO CC[NH2+]Cc1ccc(Oc2cc(F)ccc2F)nc1 ZINC000071168662 176050063 /nfs/dbraw/zinc/05/00/63/176050063.db2.gz MHBIFSZMSQIBFV-UHFFFAOYSA-N 1 0 264.275 3.262 10 0 CGAERO Cc1ncsc1C[NH2+][C@@H]1CCCc2cc(O)ccc21 ZINC000071213075 176084815 /nfs/dbraw/zinc/08/48/15/176084815.db2.gz JAZAYGNKUYUTQD-CQSZACIVSA-N 1 0 274.389 3.324 10 0 CGAERO C[C@@H](c1ccc(C(C)(C)C)cc1)N(C)[C@@H]1CC[NH2+]C1 ZINC000071309326 176116840 /nfs/dbraw/zinc/11/68/40/176116840.db2.gz YWGIVCLKRQQLLK-XJKSGUPXSA-N 1 0 260.425 3.339 10 0 CGAERO C[C@]1(c2cccc(Br)c2)CCC[NH2+]C1 ZINC000071575396 176202929 /nfs/dbraw/zinc/20/29/29/176202929.db2.gz PUEXTEJPWHHEPD-LBPRGKRZSA-N 1 0 254.171 3.090 10 0 CGAERO Brc1ccc([C@H]2CCC[NH2+]CC2)cc1 ZINC000071575427 176202954 /nfs/dbraw/zinc/20/29/54/176202954.db2.gz PDTOTUWHHQLDIK-JTQLQIEISA-N 1 0 254.171 3.306 10 0 CGAERO CCCCc1ccc([C@H](C)CN2CC[NH2+]CC2)cc1 ZINC000071587069 176214607 /nfs/dbraw/zinc/21/46/07/176214607.db2.gz LTFOWBLFMKCATD-OAHLLOKOSA-N 1 0 260.425 3.038 10 0 CGAERO CCCCOc1ccc(C(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000071587705 176215230 /nfs/dbraw/zinc/21/52/30/176215230.db2.gz PJNFQVLAFQAKDZ-CQSZACIVSA-N 1 0 261.365 3.048 10 0 CGAERO COc1ccc([C@H](O)[C@@H](C)[NH2+]C(C)C)cc1C(C)C ZINC000071597969 176221489 /nfs/dbraw/zinc/22/14/89/176221489.db2.gz LYYIJNHJLFZVPX-MLGOLLRUSA-N 1 0 265.397 3.239 10 0 CGAERO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)OCc2ccccc2)cc1 ZINC000072170999 176333266 /nfs/dbraw/zinc/33/32/66/176333266.db2.gz INASJSARAJHICW-JKSUJKDBSA-N 1 0 282.343 3.250 10 0 CGAERO Cc1ccccc1CC[C@H](CC[NH3+])c1ccncc1 ZINC000076658505 177047448 /nfs/dbraw/zinc/04/74/48/177047448.db2.gz YHEZWZFZZSGJJO-MRXNPFEDSA-N 1 0 254.377 3.455 10 0 CGAERO CCc1ccccc1N(CC[NH3+])Cc1ccccc1 ZINC000076658530 177047783 /nfs/dbraw/zinc/04/77/83/177047783.db2.gz REVVQSFTCSQRBH-UHFFFAOYSA-N 1 0 254.377 3.214 10 0 CGAERO [NH3+]CC[C@H](CCc1cccc(F)c1)c1cccnc1 ZINC000076666289 177051088 /nfs/dbraw/zinc/05/10/88/177051088.db2.gz LKRPCYBZWWKWAT-AWEZNQCLSA-N 1 0 258.340 3.286 10 0 CGAERO Cc1cc(C)cc(OC[C@@H](CC[NH3+])c2cc[nH]c2)c1 ZINC000076667607 177051379 /nfs/dbraw/zinc/05/13/79/177051379.db2.gz MEUORUXHKKGFKI-OAHLLOKOSA-N 1 0 258.365 3.143 10 0 CGAERO Cc1ccc(CN(CC[NH3+])CC2CCCCC2)cc1 ZINC000076671508 177053571 /nfs/dbraw/zinc/05/35/71/177053571.db2.gz HGJIFYITSNJFTQ-UHFFFAOYSA-N 1 0 260.425 3.336 10 0 CGAERO Cn1cccc1[C@@H](CC[NH3+])CCc1ccc(F)cc1 ZINC000076670877 177053787 /nfs/dbraw/zinc/05/37/87/177053787.db2.gz WFGANRYQPJTUJK-CQSZACIVSA-N 1 0 260.356 3.229 10 0 CGAERO Cc1cc([C@@H](CC[NH3+])CCc2ccco2)c(C)n1C ZINC000076671293 177053851 /nfs/dbraw/zinc/05/38/51/177053851.db2.gz TVZDTIVVNREBOA-CQSZACIVSA-N 1 0 260.381 3.300 10 0 CGAERO CCCCN(C(=O)C[NH3+])c1c(C)cccc1C(C)C ZINC000076676312 177056257 /nfs/dbraw/zinc/05/62/57/177056257.db2.gz AGCDGKNJDGTGHW-UHFFFAOYSA-N 1 0 262.397 3.210 10 0 CGAERO Brc1cccc(C[C@@H]2CCCC[NH2+]C2)c1 ZINC000076700249 177061982 /nfs/dbraw/zinc/06/19/82/177061982.db2.gz JKYJMUARYLWIQE-LBPRGKRZSA-N 1 0 268.198 3.381 10 0 CGAERO CC[NH2+][C@H](C)c1csc(-c2ccc(OC)cc2)n1 ZINC000076784575 177091682 /nfs/dbraw/zinc/09/16/82/177091682.db2.gz BFFQODBGHZMHHX-SNVBAGLBSA-N 1 0 262.378 3.489 10 0 CGAERO C[NH2+][C@H](C)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000076784840 177092325 /nfs/dbraw/zinc/09/23/25/177092325.db2.gz KFOWRCUPQKEGMI-SSDOTTSWSA-N 1 0 254.305 3.369 10 0 CGAERO Cc1cc(NC(=O)[C@H](C)CCC[NH3+])ccc1Br ZINC000076870252 177125320 /nfs/dbraw/zinc/12/53/20/177125320.db2.gz KBRLBZJANUKHGY-SECBINFHSA-N 1 0 299.212 3.071 10 0 CGAERO COCc1c2ccc(C)c(C)c2oc1C[NH2+]C1CC1 ZINC000077070386 177185997 /nfs/dbraw/zinc/18/59/97/177185997.db2.gz JXKIBGCJXHJEAH-UHFFFAOYSA-N 1 0 259.349 3.448 10 0 CGAERO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000131023255 287368626 /nfs/dbraw/zinc/36/86/26/287368626.db2.gz HREUKQIHPTZOJN-BBRMVZONSA-N 1 0 292.398 3.186 10 0 CGAERO Clc1ccccc1C1CC([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000132150521 287398170 /nfs/dbraw/zinc/39/81/70/287398170.db2.gz IVGAAOQVYUDRMI-DWSJWGJQSA-N 1 0 277.795 3.496 10 0 CGAERO CC(C)C1CCC(C[NH3+])(C(=O)OC(C)(C)C)CC1 ZINC000725244025 544112339 /nfs/dbraw/zinc/11/23/39/544112339.db2.gz CVKMHPXYPISVPN-UHFFFAOYSA-N 1 0 255.402 3.119 10 0 CGAERO CC(C)[C@@H]1C[NH2+]C2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000725256190 544113369 /nfs/dbraw/zinc/11/33/69/544113369.db2.gz WIVPCVBRAIPZQC-ZDUSSCGKSA-N 1 0 282.428 3.022 10 0 CGAERO C[C@@H]1CCC[C@H](NC(=O)CC2(C[NH3+])CCCCC2)[C@@H]1C ZINC000229397123 287469671 /nfs/dbraw/zinc/46/96/71/287469671.db2.gz WESHQTUYOUIWQV-KFWWJZLASA-N 1 0 280.456 3.227 10 0 CGAERO OCC1CC([NH2+]C(c2ccccc2)c2ccccc2)C1 ZINC000658358195 418949808 /nfs/dbraw/zinc/94/98/08/418949808.db2.gz YJQWRQKRJYMXIY-UHFFFAOYSA-N 1 0 267.372 3.137 10 0 CGAERO CC1(C)CC(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC(C)(C)C1 ZINC000659345885 418979844 /nfs/dbraw/zinc/97/98/44/418979844.db2.gz VFDHZFWBSFJJPQ-UONOGXRCSA-N 1 0 280.456 3.083 10 0 CGAERO CSc1cccc(C[NH2+][C@H](C)[C@@H]2CCCO2)c1 ZINC000660263721 419116001 /nfs/dbraw/zinc/11/60/01/419116001.db2.gz MERZICBKQKGDBI-RISCZKNCSA-N 1 0 251.395 3.066 10 0 CGAERO O[C@@H]1CCCC[C@@H]1[C@H]1CCC[N@@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660464893 419148225 /nfs/dbraw/zinc/14/82/25/419148225.db2.gz NMJFQJGTMPZTLT-RNGXCGTMSA-N 1 0 263.425 3.048 10 0 CGAERO Cc1ncc(C[NH2+][C@H](C)c2ccc(C)c(C)c2)n1C ZINC000657337506 419255128 /nfs/dbraw/zinc/25/51/28/419255128.db2.gz XVKZBYRRODCOBB-CYBMUJFWSA-N 1 0 257.381 3.196 10 0 CGAERO C[C@@H]1C[C@H]([NH2+]C2CC(CO)C2)C[C@@H](c2ccccc2)C1 ZINC000657810771 419363460 /nfs/dbraw/zinc/36/34/60/419363460.db2.gz KUBPFJSHAMTQES-BZKPBTAMSA-N 1 0 273.420 3.319 10 0 CGAERO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCSCC2)C[C@H](C)O1 ZINC000658002561 419488813 /nfs/dbraw/zinc/48/88/13/419488813.db2.gz VXJNQPAJSMXSRI-XJFOESAGSA-N 1 0 257.443 3.065 10 0 CGAERO CCC[C@H](C(=O)N[C@H]1CCc2c1cccc2Cl)[NH+](C)C ZINC000179606072 260057137 /nfs/dbraw/zinc/05/71/37/260057137.db2.gz GXRIDVSCCQBSKD-LSDHHAIUSA-N 1 0 294.826 3.174 10 0 CGAERO CSC[C@H](O)C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000188212064 262284754 /nfs/dbraw/zinc/28/47/54/262284754.db2.gz YEOKUMDFNUWAMF-SWLSCSKDSA-N 1 0 281.465 3.359 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000037167164 270028766 /nfs/dbraw/zinc/02/87/66/270028766.db2.gz DURCBPRKIONHPA-DZGCQCFKSA-N 1 0 292.423 3.042 10 0 CGAERO CCc1ccc([C@@H](C)[NH2+]CC(=O)N[C@@H](C)C(C)C)cc1 ZINC000042313702 270032266 /nfs/dbraw/zinc/03/22/66/270032266.db2.gz CEJAXLKHUFMWIS-UONOGXRCSA-N 1 0 276.424 3.060 10 0 CGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCc1cnn(C)c1 ZINC000107786115 270050547 /nfs/dbraw/zinc/05/05/47/270050547.db2.gz IMTYFBSFXUASMP-VNQPRFMTSA-N 1 0 263.429 3.013 10 0 CGAERO CCC[C@H](C(=O)NCCC1=CCCCCC1)[NH+](C)C ZINC000186012400 270064403 /nfs/dbraw/zinc/06/44/03/270064403.db2.gz QNYIRWVAHDIVMQ-OAHLLOKOSA-N 1 0 266.429 3.114 10 0 CGAERO CCC[C@@H](C)[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000187683623 270069138 /nfs/dbraw/zinc/06/91/38/270069138.db2.gz WVHKARRSANPCCN-CABCVRRESA-N 1 0 296.480 3.242 10 0 CGAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000246298034 287701717 /nfs/dbraw/zinc/70/17/17/287701717.db2.gz CVMFJADDCAGCQH-LZWOXQAQSA-N 1 0 275.440 3.462 10 0 CGAERO COC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCOc2ccccc21 ZINC000178275033 274043388 /nfs/dbraw/zinc/04/33/88/274043388.db2.gz RCGRUKHYJLPSKS-SJLPKXTDSA-N 1 0 297.398 3.358 10 0 CGAERO Cc1c([C@H](C)[NH2+][C@@H]2C[C@H]2C)nnn1-c1cccc(Cl)c1 ZINC000246956241 287726420 /nfs/dbraw/zinc/72/64/20/287726420.db2.gz IOIPTOPICFZWHF-ISTVAULSSA-N 1 0 290.798 3.288 10 0 CGAERO c1n[nH]cc1C[NH2+]C1c2ccccc2-c2ccccc21 ZINC000038005787 275075289 /nfs/dbraw/zinc/07/52/89/275075289.db2.gz QXSSOYVDJVLABY-UHFFFAOYSA-N 1 0 261.328 3.269 10 0 CGAERO CC(C)(C)C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000250676171 287829917 /nfs/dbraw/zinc/82/99/17/287829917.db2.gz BHALKZMDJQJLCW-BMFZPTHFSA-N 1 0 292.467 3.192 10 0 CGAERO CC(C)CC1(CNC(=O)[C@]2(C)CCC[NH2+]C2)CCCC1 ZINC000094876199 275874723 /nfs/dbraw/zinc/87/47/23/275874723.db2.gz JOUISRYZTXWLTA-MRXNPFEDSA-N 1 0 280.456 3.099 10 0 CGAERO CC(C)[C@H](C)CC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172421374 276014159 /nfs/dbraw/zinc/01/41/59/276014159.db2.gz RBPARYNHUARTLE-OAHLLOKOSA-N 1 0 280.456 3.146 10 0 CGAERO CCN1CCC[C@H]([NH2+][C@H]2C[C@H](C)c3ccccc32)C1 ZINC000311614009 276179262 /nfs/dbraw/zinc/17/92/62/276179262.db2.gz WCLVXIUBQYYXSV-ZQIUZPCESA-N 1 0 258.409 3.309 10 0 CGAERO CCN1CCC[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000085126046 276369480 /nfs/dbraw/zinc/36/94/80/276369480.db2.gz HTGJVKSFBZQXEG-WXRRBKDZSA-N 1 0 278.362 3.181 10 0 CGAERO CC(C)(C)OC(=O)N1CCC([C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000044135639 277181539 /nfs/dbraw/zinc/18/15/39/277181539.db2.gz YZOWCFCPXGMBFS-KBPBESRZSA-N 1 0 282.428 3.151 10 0 CGAERO C[NH2+][C@H]1CCOC[C@@H]1Cc1c(Cl)cccc1Cl ZINC000095075871 277301296 /nfs/dbraw/zinc/30/12/96/277301296.db2.gz UQOPKQIUPMPAPK-ZANVPECISA-N 1 0 274.191 3.160 10 0 CGAERO COC[C@H]([NH2+]C[C@H]1CCCCS1)c1ccccc1 ZINC000234754090 277597286 /nfs/dbraw/zinc/59/72/86/277597286.db2.gz WDVRPOVIYWBUPK-CABCVRRESA-N 1 0 265.422 3.249 10 0 CGAERO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1c2ccccc2C[C@H]1O ZINC000247031089 277883346 /nfs/dbraw/zinc/88/33/46/277883346.db2.gz LHTMXBXKWCAAMC-BOFPYLFWSA-N 1 0 297.398 3.313 10 0 CGAERO C[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)Oc3ccccc32)[C@H](C)O1 ZINC000395046546 288005287 /nfs/dbraw/zinc/00/52/87/288005287.db2.gz KXPNIAIRLUQEHT-DHMWGJHJSA-N 1 0 275.392 3.444 10 0 CGAERO CC1(C)CCC(CC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000335053191 278195310 /nfs/dbraw/zinc/19/53/10/278195310.db2.gz QONSKBMOKVZLGC-AWEZNQCLSA-N 1 0 280.456 3.179 10 0 CGAERO CC[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)[C@@H]1CC1(C)C ZINC000397587503 288024662 /nfs/dbraw/zinc/02/46/62/288024662.db2.gz IWDNODGUGLXSQI-XQLPTFJDSA-N 1 0 250.430 3.028 10 0 CGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1=CCOCC1 ZINC000397728276 288028299 /nfs/dbraw/zinc/02/82/99/288028299.db2.gz AXPSOLTVTSCNHT-KBMXLJTQSA-N 1 0 251.414 3.384 10 0 CGAERO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccccc1)c1ccccn1 ZINC000246491295 278282693 /nfs/dbraw/zinc/28/26/93/278282693.db2.gz RXUYKCRTPLJVIJ-WBAXXEDZSA-N 1 0 281.403 3.178 10 0 CGAERO CCn1nc(C)c([C@H](C)[NH2+][C@@H]2CS[C@@H](C)C2)c1C ZINC000397920728 288034934 /nfs/dbraw/zinc/03/49/34/288034934.db2.gz LBDCIAYHPQPHDZ-KWBADKCTSA-N 1 0 267.442 3.064 10 0 CGAERO O[C@@H]1CC[C@H]2C[N@H+](CCCCc3ccccc3)C[C@H]2C1 ZINC000399006504 288048876 /nfs/dbraw/zinc/04/88/76/288048876.db2.gz OYIKXRYMFPQGFS-RCCFBDPRSA-N 1 0 273.420 3.102 10 0 CGAERO C[C@@H]1[NH2+]CCC[C@@H]1c1nc(Cc2ccc(Cl)cc2)no1 ZINC000335459066 279033594 /nfs/dbraw/zinc/03/35/94/279033594.db2.gz VIDQGHCDJVOORS-GWCFXTLKSA-N 1 0 291.782 3.169 10 0 CGAERO CCN1CCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000036858981 279314976 /nfs/dbraw/zinc/31/49/76/279314976.db2.gz QOOZZYHUJUNJFP-RRFJBIMHSA-N 1 0 252.446 3.275 10 0 CGAERO C[C@H]([NH2+][C@H]1CCOc2ccccc21)c1cncs1 ZINC000128479565 279546163 /nfs/dbraw/zinc/54/61/63/279546163.db2.gz RSEXQDNVHIJLDU-JQWIXIFHSA-N 1 0 260.362 3.318 10 0 CGAERO [NH3+]CCCCCCC(=O)NC1CCC(C(F)(F)F)CC1 ZINC000037044166 279625580 /nfs/dbraw/zinc/62/55/80/279625580.db2.gz ZFOIYYHGHGTYNS-UHFFFAOYSA-N 1 0 294.361 3.133 10 0 CGAERO CC1(C)CCCC[C@H]1CC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000335053932 280961515 /nfs/dbraw/zinc/96/15/15/280961515.db2.gz UAHHNXRUEHVBDZ-KBPBESRZSA-N 1 0 280.456 3.179 10 0 CGAERO CCc1ccc([C@H]([NH2+][C@H]2CCc3ncnn3C2)C(C)C)cc1 ZINC000180167011 288564051 /nfs/dbraw/zinc/56/40/51/288564051.db2.gz DHQTUMBWLOIKPB-FUHWJXTLSA-N 1 0 298.434 3.142 10 0 CGAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CC(C)(C)Oc3ccccc32)CCO1 ZINC000300415227 288568875 /nfs/dbraw/zinc/56/88/75/288568875.db2.gz TUVPUBOESQQUFL-IPYPFGDCSA-N 1 0 275.392 3.446 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1ccc(F)cc1 ZINC000223864708 290004883 /nfs/dbraw/zinc/00/48/83/290004883.db2.gz WKSKZBIYXHFKHO-NJZAAPMLSA-N 1 0 251.345 3.027 10 0 CGAERO C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]CC2CC(O)C2)C1 ZINC000380157523 327714474 /nfs/dbraw/zinc/71/44/74/327714474.db2.gz YRZHDGRRHHPFNT-CESNZTBESA-N 1 0 273.420 3.319 10 0 CGAERO C[C@@H](Nc1cccc(-c2cnco2)c1)[C@@H]1CCC[NH2+]C1 ZINC000573545737 322393949 /nfs/dbraw/zinc/39/39/49/322393949.db2.gz KOOFMOSVGZXNIZ-TZMCWYRMSA-N 1 0 271.364 3.142 10 0 CGAERO C[C@@H]1C[C@@H](c2ccc(C(=O)OC(C)(C)C)cc2)C[NH2+]1 ZINC000536959135 330383939 /nfs/dbraw/zinc/38/39/39/330383939.db2.gz PAHZNDSLHAFTTF-BXUZGUMPSA-N 1 0 261.365 3.107 10 0 CGAERO C[C@@H]1C[C@H](c2ccc(C(=O)OC(C)(C)C)cc2)C[NH2+]1 ZINC000536959138 330383964 /nfs/dbraw/zinc/38/39/64/330383964.db2.gz PAHZNDSLHAFTTF-RISCZKNCSA-N 1 0 261.365 3.107 10 0 CGAERO CCC[NH2+]Cc1cc(C)nc(-c2ccc(F)cc2)n1 ZINC000054831446 519943796 /nfs/dbraw/zinc/94/37/96/519943796.db2.gz LUGLIGITWTWDPK-UHFFFAOYSA-N 1 0 259.328 3.091 10 0 CGAERO CCC[NH2+]Cc1cc(Cl)ccc1O[C@@H]1CCOC1 ZINC000070071535 519947904 /nfs/dbraw/zinc/94/79/04/519947904.db2.gz LQCJSKMBFRYMDW-CYBMUJFWSA-N 1 0 269.772 3.007 10 0 CGAERO CCC[NH2+]Cc1sc(N(C)CC(C)C)nc1CC ZINC000054996659 519975044 /nfs/dbraw/zinc/97/50/44/519975044.db2.gz HHZXZGTXTYLPSG-UHFFFAOYSA-N 1 0 269.458 3.297 10 0 CGAERO CCC[NH2+]Cc1sc(N2CCC[C@@H](C)C2)nc1C ZINC000054995567 519975251 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185139584 /nfs/dbraw/zinc/13/95/84/185139584.db2.gz HUUFUPDJOPECFS-WBVHZDCISA-N 1 0 257.377 3.410 10 0 CGAERO CCC(CC)[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400454607 282215125 /nfs/dbraw/zinc/21/51/25/282215125.db2.gz RZHOVJLYYFWCLR-STQMWFEESA-N 1 0 284.444 3.410 10 0 CGAERO CC(C)[C@@H]1C[NH2+]CCN1[C@@H](C)c1ccc(Cl)cc1 ZINC000083493796 178518172 /nfs/dbraw/zinc/51/81/72/178518172.db2.gz ITEQKXMXMPEAQT-WFASDCNBSA-N 1 0 266.816 3.331 10 0 CGAERO COCc1nc(C[NH2+]CC[C@H]2CC=CCC2)cs1 ZINC000623698792 349868584 /nfs/dbraw/zinc/86/85/84/349868584.db2.gz XZXZAEXJOJUOEM-LBPRGKRZSA-N 1 0 266.410 3.126 10 0 CGAERO CN1CCC([NH2+][C@@H]2c3ccccc3CCC2(C)C)CC1 ZINC000132632187 530050504 /nfs/dbraw/zinc/05/05/04/530050504.db2.gz QPUXMCYZEIGSFR-QGZVFWFLSA-N 1 0 272.436 3.384 10 0 CGAERO CC[NH+](CC)CCc1cc(-c2ccc(OC)cc2)no1 ZINC000002038856 344857348 /nfs/dbraw/zinc/85/73/48/344857348.db2.gz OSIDGTWSTYQZHR-UHFFFAOYSA-N 1 0 274.364 3.235 10 0 CGAERO Cc1ccccc1[C@](O)(CC[NH+](C)C)c1ccccc1 ZINC000003642350 344859372 /nfs/dbraw/zinc/85/93/72/344859372.db2.gz BMFVGTKWLFSPTM-SFHVURJKSA-N 1 0 269.388 3.183 10 0 CGAERO CCO[C@@H](c1ccc(Cl)cc1)C1=[NH+]CC(C)(C)CN1 ZINC000005860853 344863061 /nfs/dbraw/zinc/86/30/61/344863061.db2.gz NKZQEKLNOVBFRX-ZDUSSCGKSA-N 1 0 280.799 3.446 10 0 CGAERO CC(C)[NH+](CC[C@@H](C(=O)N(C)C)c1ccccc1)C(C)C ZINC000034259472 344938497 /nfs/dbraw/zinc/93/84/97/344938497.db2.gz PYYIGDZUOYSQBI-QGZVFWFLSA-N 1 0 290.451 3.367 10 0 CGAERO [NH2+]=C(Nc1nc2ccccc2[nH]1)Nc1ccccc1 ZINC000038175047 344954654 /nfs/dbraw/zinc/95/46/54/344954654.db2.gz GOSCMMJAOFBTRJ-UHFFFAOYSA-N 1 0 251.293 3.022 10 0 CGAERO Fc1ccc(-n2cc(N3CC[NH2+]CC3)c3ccccc32)cc1 ZINC000039046343 344957360 /nfs/dbraw/zinc/95/73/60/344957360.db2.gz HEFDRZMLPNFHGO-UHFFFAOYSA-N 1 0 295.361 3.179 10 0 CGAERO CCCCCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000040176637 344960959 /nfs/dbraw/zinc/96/09/59/344960959.db2.gz JRMSSRFHGACNOS-QMHWVQJVSA-N 1 0 280.456 3.096 10 0 CGAERO CC(C)CC(=O)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000041413285 344969647 /nfs/dbraw/zinc/96/96/47/344969647.db2.gz HVFFVYGCDLURLE-UHFFFAOYSA-N 1 0 275.392 3.390 10 0 CGAERO CC(C)C[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000037027807 344946921 /nfs/dbraw/zinc/94/69/21/344946921.db2.gz UTIFTDLDNBQTNY-CZUORRHYSA-N 1 0 276.424 3.361 10 0 CGAERO [NH3+]C[C@@H]1CCC[C@H]1Oc1cccc(C(F)(F)F)c1 ZINC000037162165 344948261 /nfs/dbraw/zinc/94/82/61/344948261.db2.gz JWUWWZDFPCTKGE-JOYOIKCWSA-N 1 0 259.271 3.212 10 0 CGAERO C[NH2+][C@@H](c1ccc(Br)o1)C1=CCCC1 ZINC000050327231 345080360 /nfs/dbraw/zinc/08/03/60/345080360.db2.gz TUUVFINRUUGJTN-LLVKDONJSA-N 1 0 256.143 3.413 10 0 CGAERO [NH3+][C@@H](C1=CCCC1)c1cccc(I)c1 ZINC000050327056 345080432 /nfs/dbraw/zinc/08/04/32/345080432.db2.gz CZQXAUAEEAJLGV-LBPRGKRZSA-N 1 0 299.155 3.401 10 0 CGAERO C[NH2+][C@H](C)C(=O)Nc1ccc(SC2CCCC2)cc1 ZINC000054074062 345129078 /nfs/dbraw/zinc/12/90/78/345129078.db2.gz LFUREMVUNNBRAS-LLVKDONJSA-N 1 0 278.421 3.268 10 0 CGAERO CCCCc1ccc(NC(=O)C[C@H]2CCC[NH2+]C2)cc1 ZINC000054290809 345131757 /nfs/dbraw/zinc/13/17/57/345131757.db2.gz HMWUQQVGKAADJW-OAHLLOKOSA-N 1 0 274.408 3.357 10 0 CGAERO C[C@H](c1cccc(Cl)c1)N(C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054308337 345132506 /nfs/dbraw/zinc/13/25/06/345132506.db2.gz JTTZUJYJJZJPSO-OLZOCXBDSA-N 1 0 294.826 3.249 10 0 CGAERO Brc1cccc(SC[C@H]2CCC[NH2+]2)c1 ZINC000055309151 345146910 /nfs/dbraw/zinc/14/69/10/345146910.db2.gz OCBBCZKYUAZIQP-SNVBAGLBSA-N 1 0 272.211 3.293 10 0 CGAERO [NH3+][C@H]1CCCCC[C@@H]1c1occc1Br ZINC000068983311 345369996 /nfs/dbraw/zinc/36/99/96/345369996.db2.gz OHCNMCUUNAKWAW-WPRPVWTQSA-N 1 0 258.159 3.417 10 0 CGAERO CC[NH+](CC)CCOc1cc(C)c(N)cc1C(C)C ZINC000087465518 345756202 /nfs/dbraw/zinc/75/62/02/345756202.db2.gz XOCSTKUJAPLRAY-UHFFFAOYSA-N 1 0 264.413 3.421 10 0 CGAERO Cc1cccc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000168693372 232265107 /nfs/dbraw/zinc/26/51/07/232265107.db2.gz JREWJTOEZNGOTB-IAGOWNOFSA-N 1 0 259.393 3.122 10 0 CGAERO C[C@@H](CCC1CCCCC1)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000115848099 345973685 /nfs/dbraw/zinc/97/36/85/345973685.db2.gz NZAHFUICNAGTPN-GOEBONIOSA-N 1 0 295.471 3.081 10 0 CGAERO Fc1ccc([C@@H]2CC[NH2+]CCN2c2ccccc2)cc1 ZINC000117618173 345985037 /nfs/dbraw/zinc/98/50/37/345985037.db2.gz CZSVGYQHNJWPRZ-KRWDZBQOSA-N 1 0 270.351 3.367 10 0 CGAERO CC(C)CCn1cccc1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000124282247 346012291 /nfs/dbraw/zinc/01/22/91/346012291.db2.gz MPVAUSOOHYPRQO-NVXWUHKLSA-N 1 0 278.440 3.175 10 0 CGAERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)N1CCC(C)CC1 ZINC000130434057 346057544 /nfs/dbraw/zinc/05/75/44/346057544.db2.gz IKMGKNFPXJEJRO-JKSUJKDBSA-N 1 0 288.435 3.293 10 0 CGAERO Brc1ccc(/C=C/[C@H]2CCC[NH2+]2)s1 ZINC000129305473 346048775 /nfs/dbraw/zinc/04/87/75/346048775.db2.gz MUCJHHFLDJGRNC-MPJRPATESA-N 1 0 258.184 3.276 10 0 CGAERO C[NH2+][C@H](c1ncccc1Br)C(C)(C)C ZINC000133222959 346076603 /nfs/dbraw/zinc/07/66/03/346076603.db2.gz SZBBWTJCPANGPD-SNVBAGLBSA-N 1 0 257.175 3.151 10 0 CGAERO C[C@@]1(c2ccc(Br)cc2Cl)C[C@H]1[NH3+] ZINC000135058129 346085744 /nfs/dbraw/zinc/08/57/44/346085744.db2.gz HGIROMZPYHSAJY-ZJUUUORDSA-N 1 0 260.562 3.091 10 0 CGAERO C[C@@H]1CC[NH2+]C[C@H]1Cc1sccc1Br ZINC000135529707 346087823 /nfs/dbraw/zinc/08/78/23/346087823.db2.gz PMCOLCVASWUNDK-RKDXNWHRSA-N 1 0 274.227 3.299 10 0 CGAERO COc1cccc([C@]23CCC[C@H]([C@@H]2C)[N@H+](C)CC3)c1 ZINC000136761726 346091706 /nfs/dbraw/zinc/09/17/06/346091706.db2.gz NKHGRZDFJRLIPR-XKQJLSEDSA-N 1 0 259.393 3.457 10 0 CGAERO O=C(CCC1CC[NH2+]CC1)c1ccc2c(c1)CCCCN2 ZINC000137539533 346094761 /nfs/dbraw/zinc/09/47/61/346094761.db2.gz OREUJTPQCBAIMM-UHFFFAOYSA-N 1 0 286.419 3.397 10 0 CGAERO COc1ccc2c(c1)/C(=C/C[NH3+])[C@H](Cc1ccccc1)C2 ZINC000137676535 346094910 /nfs/dbraw/zinc/09/49/10/346094910.db2.gz FQOXJCAQWQNAMO-TWIVVOHQSA-N 1 0 279.383 3.452 10 0 CGAERO C[C@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)c1ccc2ccccc2c1 ZINC000177646536 232373090 /nfs/dbraw/zinc/37/30/90/232373090.db2.gz BNENUXPGTRBLJU-KBXCAEBGSA-N 1 0 296.414 3.106 10 0 CGAERO Oc1cccc2cc(OCC[NH+]3CCCC3)ccc12 ZINC000142492767 346111356 /nfs/dbraw/zinc/11/13/56/346111356.db2.gz GFSZLLQCYLKZPI-UHFFFAOYSA-N 1 0 257.333 3.020 10 0 CGAERO CSC[C@H]1C[NH2+][C@@H]2Cc3c[nH]c4cccc(c34)[C@@H]2C1 ZINC000142908107 346112424 /nfs/dbraw/zinc/11/24/24/346112424.db2.gz BHDLEAVQICQCHC-RIEGTJTDSA-N 1 0 272.417 3.149 10 0 CGAERO COc1cc(OC)cc([C@H](C[NH3+])c2c(C)cccc2C)c1 ZINC000150211911 346133287 /nfs/dbraw/zinc/13/32/87/346133287.db2.gz FPSOXEXTCILZHF-KRWDZBQOSA-N 1 0 285.387 3.411 10 0 CGAERO CC[C@@H]1C[C@@]1(C[NH3+])c1ccc(Br)cc1 ZINC000160957533 346173798 /nfs/dbraw/zinc/17/37/98/346173798.db2.gz LHNMJSUWXUJOLH-SKDRFNHKSA-N 1 0 254.171 3.076 10 0 CGAERO CC[C@H]1C[C@@]1(C[NH3+])c1ccccc1Br ZINC000160973854 346173903 /nfs/dbraw/zinc/17/39/03/346173903.db2.gz JSRIHUHAUXNNPU-CABZTGNLSA-N 1 0 254.171 3.076 10 0 CGAERO C[C@H]1Cc2cc(Br)cc(Cl)c2C[NH2+]1 ZINC000161105533 346174716 /nfs/dbraw/zinc/17/47/16/346174716.db2.gz HVOVCSHUTZTNAU-LURJTMIESA-N 1 0 260.562 3.137 10 0 CGAERO CC(C)CSCCC[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000155899279 346156279 /nfs/dbraw/zinc/15/62/79/346156279.db2.gz FOUNTOWJDFUSSS-INIZCTEOSA-N 1 0 294.464 3.314 10 0 CGAERO C[C@H]([C@@H]([NH3+])c1ccc(Br)cc1)C1CC1 ZINC000163412551 346181179 /nfs/dbraw/zinc/18/11/79/346181179.db2.gz NQIHGFRMVYXNON-QPUJVOFHSA-N 1 0 254.171 3.495 10 0 CGAERO Cc1cc(Br)cc2cc([C@H](C)[NH3+])[nH]c21 ZINC000167067384 346188006 /nfs/dbraw/zinc/18/80/06/346188006.db2.gz JAQSJZPFVUQLCL-ZETCQYMHSA-N 1 0 253.143 3.259 10 0 CGAERO C[NH2+]Cc1ccc2cc(Br)ccc2c1 ZINC000168406236 346190208 /nfs/dbraw/zinc/19/02/08/346190208.db2.gz VQNISNNRLOURCX-UHFFFAOYSA-N 1 0 250.139 3.322 10 0 CGAERO COc1c(C[N@@H+]2C[C@H](c3ccccc3)C[C@@H]2C)c(C)nn1C ZINC000127576471 187317028 /nfs/dbraw/zinc/31/70/28/187317028.db2.gz FJMRWBYPYPMOOD-XJKSGUPXSA-N 1 0 299.418 3.115 10 0 CGAERO CC1CCC(C[N@@H+]2CCCC[C@H]2c2nnc[nH]2)CC1 ZINC000182631882 346256889 /nfs/dbraw/zinc/25/68/89/346256889.db2.gz DAKOINWUYBRAKL-RUXDESIVSA-N 1 0 262.401 3.158 10 0 CGAERO CCN1CCC[C@@H]([NH2+][C@@H]2CCCc3c(OC)cccc32)C1 ZINC000194861493 346272523 /nfs/dbraw/zinc/27/25/23/346272523.db2.gz JFFXEGLEKMVXOU-RHSMWYFYSA-N 1 0 288.435 3.147 10 0 CGAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])[C@H]1c1ccccc1Cl ZINC000219321958 346294952 /nfs/dbraw/zinc/29/49/52/346294952.db2.gz ZLSHUQFNBIRADS-CHWSQXEVSA-N 1 0 296.798 3.349 10 0 CGAERO COc1ccc(F)cc1-c1ccnc2[nH]c(C3C[NH2+]C3)cc21 ZINC000226096568 346305947 /nfs/dbraw/zinc/30/59/47/346305947.db2.gz JXMXWTSNIZWTAA-UHFFFAOYSA-N 1 0 297.333 3.064 10 0 CGAERO [NH3+]C[C@@H](c1ccccc1)c1ccc(C(F)(F)F)nc1 ZINC000217385155 346290871 /nfs/dbraw/zinc/29/08/71/346290871.db2.gz HBTYYGDIGVIQSH-LBPRGKRZSA-N 1 0 266.266 3.191 10 0 CGAERO CC[C@H]1C[C@@]1([NH3+])c1cc(F)ccc1Br ZINC000234047773 346330860 /nfs/dbraw/zinc/33/08/60/346330860.db2.gz OZQMCYFFUITYIU-CPCISQLKSA-N 1 0 258.134 3.172 10 0 CGAERO C[C@@H]1C[C@H](c2ccccc2Br)[C@@H](C)[NH2+]1 ZINC000227094833 346307983 /nfs/dbraw/zinc/30/79/83/346307983.db2.gz SMTUNJJECRSOOK-KKZNHRDASA-N 1 0 254.171 3.303 10 0 CGAERO Cc1cc2ccccc2nc1N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228551090 346314826 /nfs/dbraw/zinc/31/48/26/346314826.db2.gz IAODJBOPUULVFN-ARFHVFGLSA-N 1 0 281.403 3.107 10 0 CGAERO Cc1cccc([C@@H]([NH3+])C(C)C)c1I ZINC000229297462 346316901 /nfs/dbraw/zinc/31/69/01/346316901.db2.gz DYIVXYCOXMSNDI-NSHDSACASA-N 1 0 289.160 3.255 10 0 CGAERO CC[C@H]1C[NH2+]CC[C@@H]1c1occc1Br ZINC000229825998 346318374 /nfs/dbraw/zinc/31/83/74/346318374.db2.gz ZHLSQHIUHCPEFJ-IUCAKERBSA-N 1 0 258.159 3.145 10 0 CGAERO C[C@H]([NH3+])/C=C/c1ccc(Cl)c(Br)c1 ZINC000231749973 346323963 /nfs/dbraw/zinc/32/39/63/346323963.db2.gz BDCLVOIRKPGCKX-AIYRYJHASA-N 1 0 260.562 3.463 10 0 CGAERO C[C@H](CNC(=O)[C@H]1C[C@H]1C1CCCCC1)C[NH+]1CCCC1 ZINC000247480363 346370888 /nfs/dbraw/zinc/37/08/88/346370888.db2.gz SSNWYBKLNGYNNG-PVAVHDDUSA-N 1 0 292.467 3.051 10 0 CGAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000252429218 346391073 /nfs/dbraw/zinc/39/10/73/346391073.db2.gz XZFWTHHYFQYCQO-OXGONZEZSA-N 1 0 253.430 3.340 10 0 CGAERO Cc1ccc(Br)c2c1CSC[C@@H]2[NH3+] ZINC000306163341 346451407 /nfs/dbraw/zinc/45/14/07/346451407.db2.gz HJIIGQZRDROGSC-VIFPVBQESA-N 1 0 258.184 3.004 10 0 CGAERO Cc1sc(Br)c(C[NH3+])c1[C@H]1C[C@@H]1C ZINC000307635518 346464266 /nfs/dbraw/zinc/46/42/66/346464266.db2.gz RXGHGRKFLCAWJK-FSPLSTOPSA-N 1 0 260.200 3.401 10 0 CGAERO C[C@@H]([NH2+]CC(C)(C)C(F)(F)F)c1cncs1 ZINC000309602528 346469719 /nfs/dbraw/zinc/46/97/19/346469719.db2.gz XZBOZMNHLFURNM-SSDOTTSWSA-N 1 0 252.305 3.382 10 0 CGAERO O[C@@H](c1ccc(Cc2ccccc2)cc1)[C@H]1CCC[NH2+]1 ZINC000085686511 179116205 /nfs/dbraw/zinc/11/62/05/179116205.db2.gz DEGVAGVLWUNLPJ-MSOLQXFVSA-N 1 0 267.372 3.063 10 0 CGAERO CC[C@@H]([NH3+])c1c(F)ccc(F)c1Br ZINC000403304415 346595945 /nfs/dbraw/zinc/59/59/45/346595945.db2.gz IMAYJXDCBBVWAS-SSDOTTSWSA-N 1 0 250.086 3.137 10 0 CGAERO C[C@@H]1Cc2ccccc2N(CCC[NH2+]C(C)(C)C)C1 ZINC000103982586 136553812 /nfs/dbraw/zinc/55/38/12/136553812.db2.gz TYMLOKSXNQOLGB-CQSZACIVSA-N 1 0 260.425 3.463 10 0 CGAERO C[C@@H]1CCCC[C@@]1(C[NH3+])N1CCCc2ccccc21 ZINC000019981397 136579801 /nfs/dbraw/zinc/57/98/01/136579801.db2.gz VBZFVZGZBIQJCM-PBHICJAKSA-N 1 0 258.409 3.347 10 0 CGAERO C[N@@H+](Cc1ccccc1)C[C@H](O)c1cc(F)cc(F)c1 ZINC000584661940 346706711 /nfs/dbraw/zinc/70/67/11/346706711.db2.gz KGJNWBMXMJYKEL-INIZCTEOSA-N 1 0 277.314 3.130 10 0 CGAERO C[NH+](C)C[C@H](Cc1ccccc1)[C@@](C)(O)c1ccccc1 ZINC000584596430 346687544 /nfs/dbraw/zinc/68/75/44/346687544.db2.gz CUJDBHRWYXOKRI-OALUTQOASA-N 1 0 283.415 3.315 10 0 CGAERO C[NH2+]CCO[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000584601594 346689935 /nfs/dbraw/zinc/68/99/35/346689935.db2.gz BTELPYKKGAGVIL-JLAWEPINSA-N 1 0 279.383 3.272 10 0 CGAERO CC[NH+](CC)CCOc1ccc(C(=O)C(F)(F)F)cc1 ZINC000584603823 346690623 /nfs/dbraw/zinc/69/06/23/346690623.db2.gz OHBWFLRBMODDLI-UHFFFAOYSA-N 1 0 289.297 3.152 10 0 CGAERO Clc1ccc([C@@H]2N=C(CCC[NH+]3CCCC3)ON2)cc1 ZINC000584613618 346693251 /nfs/dbraw/zinc/69/32/51/346693251.db2.gz AWQDXAXRNDPQSY-OAHLLOKOSA-N 1 0 293.798 3.148 10 0 CGAERO O[C@H](c1ccc(F)cc1)[C@H]1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000584625297 346697035 /nfs/dbraw/zinc/69/70/35/346697035.db2.gz JVBGIQKPXVCVSA-NUEKZKHPSA-N 1 0 263.356 3.124 10 0 CGAERO C[C@H](C[NH3+])c1nc2ccc(Br)cc2s1 ZINC000086479252 179300335 /nfs/dbraw/zinc/30/03/35/179300335.db2.gz YRDXIPTWMDWHMX-ZCFIWIBFSA-N 1 0 271.183 3.121 10 0 CGAERO C[C@@H](N[C@H](C[NH+](C)C)c1ccccc1)c1cncs1 ZINC000128697270 187385350 /nfs/dbraw/zinc/38/53/50/187385350.db2.gz QXBPENVCMABPOM-TZMCWYRMSA-N 1 0 275.421 3.097 10 0 CGAERO CC[NH2+][C@H](Cc1ccc(F)cc1Cl)[C@H]1CCOC1 ZINC000104108010 185896650 /nfs/dbraw/zinc/89/66/50/185896650.db2.gz YHQGSBOHZJBADD-SMDDNHRTSA-N 1 0 271.763 3.036 10 0 CGAERO CCCOCCO[C@@H](c1ccccc1Cl)[C@H](C)[NH3+] ZINC000104233342 185937656 /nfs/dbraw/zinc/93/76/56/185937656.db2.gz XDEPMPCCFHXMML-SMDDNHRTSA-N 1 0 271.788 3.172 10 0 CGAERO 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SDEHBPKFLPDKCU-YQQAZPJKSA-N 1 0 288.435 3.341 10 0 CGAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]C[C@@H](O)C(F)(F)F ZINC000121959101 287205006 /nfs/dbraw/zinc/20/50/06/287205006.db2.gz IXHBNSGFRKUQOZ-CHWSQXEVSA-N 1 0 287.325 3.213 10 0 CGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1[C@H]1CCC(C)(C)C1 ZINC000252909854 287225557 /nfs/dbraw/zinc/22/55/57/287225557.db2.gz BFKYKQUYVYNJNK-QLFBSQMISA-N 1 0 250.430 3.124 10 0 CGAERO O[C@H]1CCCC[C@@H]1[N@H+]1CC=C(c2ccccc2)CC1 ZINC000005682076 170128063 /nfs/dbraw/zinc/12/80/63/170128063.db2.gz NJNHOOFGKCHIFQ-IRXDYDNUSA-N 1 0 257.377 3.079 10 0 CGAERO CC[C@@H](C)c1cc(OC)c(C[C@H](C)[NH3+])cc1OC ZINC000005922743 170155826 /nfs/dbraw/zinc/15/58/26/170155826.db2.gz VEQUTPSVRQTUHR-MNOVXSKESA-N 1 0 251.370 3.107 10 0 CGAERO Cc1ccc(C(=O)Nc2ccc(C[NH3+])cc2)cc1C ZINC000019264253 170763421 /nfs/dbraw/zinc/76/34/21/170763421.db2.gz SHMLCQRGQGZYMI-UHFFFAOYSA-N 1 0 254.333 3.014 10 0 CGAERO CCN(C(=O)[C@H]1CCC[NH2+]C1)c1cccc2ccccc21 ZINC000019408646 170788055 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/nfs/dbraw/zinc/96/43/45/170964345.db2.gz BZEQBRINCONZNQ-UHFFFAOYSA-N 1 0 258.409 3.347 10 0 CGAERO CCOc1ccc(C[NH2+]CCCOCC(C)C)cc1OC ZINC000020147360 171033655 /nfs/dbraw/zinc/03/36/55/171033655.db2.gz BCLITPJLENRFGF-UHFFFAOYSA-N 1 0 295.423 3.246 10 0 CGAERO O=C(C[NH2+]Cc1ccc(Cl)cc1)Nc1ccccc1 ZINC000020210055 171074088 /nfs/dbraw/zinc/07/40/88/171074088.db2.gz MBYYYJUAPNLXFF-UHFFFAOYSA-N 1 0 274.751 3.068 10 0 CGAERO Cc1cccc(CN(C)[C@H](C[NH3+])c2ccccc2C)c1 ZINC000020225433 171087995 /nfs/dbraw/zinc/08/79/95/171087995.db2.gz NFAHDDZVRVXLCS-GOSISDBHSA-N 1 0 268.404 3.435 10 0 CGAERO CCc1ccc([C@@H](CN)[N@H+](C)CCc2ccccc2)cc1 ZINC000020225736 171090054 /nfs/dbraw/zinc/09/00/54/171090054.db2.gz MJVORCBLBQBNEP-LJQANCHMSA-N 1 0 282.431 3.423 10 0 CGAERO CCc1ccc(N(CC[NH3+])Cc2cccs2)cc1 ZINC000020238885 171097235 /nfs/dbraw/zinc/09/72/35/171097235.db2.gz NJYBRASDGVUXJW-UHFFFAOYSA-N 1 0 260.406 3.276 10 0 CGAERO Cc1cccc(O[C@@H]2CCc3ccccc3[C@H]2[NH3+])c1 ZINC000020262576 171119915 /nfs/dbraw/zinc/11/99/15/171119915.db2.gz XUKFMTNZIXLJII-IAGOWNOFSA-N 1 0 253.345 3.389 10 0 CGAERO Cc1ccc(C)c([C@@H]([NH3+])Cn2ccnc2C(C)C)c1 ZINC000020261975 171120165 /nfs/dbraw/zinc/12/01/65/171120165.db2.gz ZOHMCSYTQHGDAR-HNNXBMFYSA-N 1 0 257.381 3.323 10 0 CGAERO [NH3+]C[C@@H](c1ccc(F)c(F)c1)N1CCCCCCC1 ZINC000020265188 171121488 /nfs/dbraw/zinc/12/14/88/171121488.db2.gz MZJZSVISMXQTCH-HNNXBMFYSA-N 1 0 268.351 3.231 10 0 CGAERO [NH3+]C[C@H](c1c(F)cccc1F)N1CCCCCCC1 ZINC000020265191 171122549 /nfs/dbraw/zinc/12/25/49/171122549.db2.gz AGGRRNNQYNVJEN-CQSZACIVSA-N 1 0 268.351 3.231 10 0 CGAERO C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCCCCCC1 ZINC000020266191 171122802 /nfs/dbraw/zinc/12/28/02/171122802.db2.gz RGJQRXKDLHBJKK-PMPSAXMXSA-N 1 0 250.430 3.173 10 0 CGAERO COc1ccc(OC)c([C@H](C[NH3+])c2c[nH]c3ccccc32)c1 ZINC000020268131 171124188 /nfs/dbraw/zinc/12/41/88/171124188.db2.gz KOENIMFXYOTBAL-HNNXBMFYSA-N 1 0 296.370 3.276 10 0 CGAERO Cc1ccccc1[C@H]([NH3+])Cc1nc2ccccc2o1 ZINC000020427743 171193687 /nfs/dbraw/zinc/19/36/87/171193687.db2.gz HEJHNFKDSBMBFR-CYBMUJFWSA-N 1 0 252.317 3.379 10 0 CGAERO Cc1ccc([C@H]([NH3+])Cc2ccc3ccccc3n2)o1 ZINC000020428661 171194080 /nfs/dbraw/zinc/19/40/80/171194080.db2.gz BWTWSWQLQUSYMR-CQSZACIVSA-N 1 0 252.317 3.379 10 0 CGAERO [NH3+][C@@H](Cc1ccccn1)c1cc(Cl)ccc1F ZINC000020429078 171194157 /nfs/dbraw/zinc/19/41/57/171194157.db2.gz NDQQSSMIKULRKZ-ZDUSSCGKSA-N 1 0 250.704 3.117 10 0 CGAERO Cc1cc(C[NH3+])cc(C)c1OCCc1ccccc1 ZINC000020470793 171213092 /nfs/dbraw/zinc/21/30/92/171213092.db2.gz JVDPVURSIDGBLH-UHFFFAOYSA-N 1 0 255.361 3.384 10 0 CGAERO Cc1ccc(NC(=O)c2ccc(C[NH3+])cc2)c(Cl)c1 ZINC000020471414 171214215 /nfs/dbraw/zinc/21/42/15/171214215.db2.gz XZLSYFTWHXRFDY-UHFFFAOYSA-N 1 0 274.751 3.359 10 0 CGAERO CC(C)c1cccc(NC(=O)[C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000020475674 171219729 /nfs/dbraw/zinc/21/97/29/171219729.db2.gz SHHHRPFVJSBLSH-TZMCWYRMSA-N 1 0 260.381 3.137 10 0 CGAERO CCCOc1ccc([C@@H]([NH3+])COC(C)(C)C)cc1 ZINC000020510567 171230337 /nfs/dbraw/zinc/23/03/37/171230337.db2.gz WCSAXLWYNUSSDC-AWEZNQCLSA-N 1 0 251.370 3.290 10 0 CGAERO CCc1ccc([C@@H](N)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000020556197 171249773 /nfs/dbraw/zinc/24/97/73/171249773.db2.gz CWJDDWMGJNOMJF-VBQJREDUSA-N 1 0 260.425 3.227 10 0 CGAERO Cc1ccc(Nc2cc[nH+]cc2N)c(Br)c1 ZINC000020584706 171258111 /nfs/dbraw/zinc/25/81/11/171258111.db2.gz CTDYORTYVJKDGE-UHFFFAOYSA-N 1 0 278.153 3.478 10 0 CGAERO C[C@H]([NH3+])[C@@H]1C[C@@H]1c1cc(Br)ccc1F ZINC000020594579 171263681 /nfs/dbraw/zinc/26/36/81/171263681.db2.gz ZCBJDXMLQZQVPU-XVYDVKMFSA-N 1 0 258.134 3.039 10 0 CGAERO COc1cc(C)ccc1O[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000021008589 171285564 /nfs/dbraw/zinc/28/55/64/171285564.db2.gz FEHNXGMJRLEAMU-KBPBESRZSA-N 1 0 263.381 3.433 10 0 CGAERO c1ccc(CC[NH2+]CCCN2CCc3ccccc32)cc1 ZINC000021811765 171329321 /nfs/dbraw/zinc/32/93/21/171329321.db2.gz VYTPVZVZBYGSNZ-UHFFFAOYSA-N 1 0 280.415 3.272 10 0 CGAERO CCN(CC)CC[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000022042363 171350335 /nfs/dbraw/zinc/35/03/35/171350335.db2.gz GJANTPSJGSXSDO-INIZCTEOSA-N 1 0 260.425 3.038 10 0 CGAERO Cc1ccc([C@H](c2ccccc2C)N2CC[NH2+]CC2)cc1 ZINC000022122473 171353829 /nfs/dbraw/zinc/35/38/29/171353829.db2.gz RUCQNQQBIZPZDP-LJQANCHMSA-N 1 0 280.415 3.298 10 0 CGAERO C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(N)cc1Cl ZINC000022152755 171359654 /nfs/dbraw/zinc/35/96/54/171359654.db2.gz LRYLJNCNSGBOCG-LLVKDONJSA-N 1 0 295.814 3.125 10 0 CGAERO Cc1ccc([C@@H](C[NH3+])N2CCc3sccc3C2)c(C)c1 ZINC000022165284 171365556 /nfs/dbraw/zinc/36/55/56/171365556.db2.gz GLUCJRUFQKFEDI-MRXNPFEDSA-N 1 0 286.444 3.423 10 0 CGAERO C[C@H]1CCCCN1[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000022169817 171367602 /nfs/dbraw/zinc/36/76/02/171367602.db2.gz ITLKGDYEVJNFRK-FZMZJTMJSA-N 1 0 297.240 3.323 10 0 CGAERO C[C@H]1C[C@@H]1c1ccc([C@@H](C[NH3+])N2CCc3ccccc32)o1 ZINC000022174194 171369164 /nfs/dbraw/zinc/36/91/64/171369164.db2.gz ZMMCOULZCJPPDW-DUVNUKRYSA-N 1 0 282.387 3.466 10 0 CGAERO CC[N@H+](CC(=O)Nc1cc(N)ccc1F)C1CCCCC1 ZINC000022173296 171369182 /nfs/dbraw/zinc/36/91/82/171369182.db2.gz GPILCCQHXYOUTG-UHFFFAOYSA-N 1 0 293.386 3.001 10 0 CGAERO C[C@@H]([NH3+])c1cccc(NC(=O)c2ccccc2F)c1 ZINC000022176629 171371104 /nfs/dbraw/zinc/37/11/04/171371104.db2.gz ZAPFREWEYQPZGG-SNVBAGLBSA-N 1 0 258.296 3.098 10 0 CGAERO Cc1ccc(C(=O)Nc2ccc([C@H](C)[NH3+])cc2)cc1F ZINC000022214716 171374957 /nfs/dbraw/zinc/37/49/57/171374957.db2.gz VKLDPYCOWBCTKO-NSHDSACASA-N 1 0 272.323 3.406 10 0 CGAERO C[C@@H]1C[C@@H](C)CN([C@@H](C[NH3+])c2ccc(OC(F)F)cc2)C1 ZINC000022214443 171374962 /nfs/dbraw/zinc/37/49/62/171374962.db2.gz GORFXAKUQZSOHN-JMSVASOKSA-N 1 0 298.377 3.266 10 0 CGAERO CC(C)N(C)[C@@H](C[NH3+])c1ccccc1C(F)(F)F ZINC000022218063 171376419 /nfs/dbraw/zinc/37/64/19/171376419.db2.gz FUKYDALKEKYKSS-LBPRGKRZSA-N 1 0 260.303 3.045 10 0 CGAERO C[C@H]([NH3+])c1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000022221385 171378233 /nfs/dbraw/zinc/37/82/33/171378233.db2.gz KNNODMYZSPLMEU-JTQLQIEISA-N 1 0 258.296 3.098 10 0 CGAERO CC[N@H+]([C@@H](CN)c1ccccc1OC)C1CCCCC1 ZINC000022222077 171378978 /nfs/dbraw/zinc/37/89/78/171378978.db2.gz DGGBYEDOOBUVQM-INIZCTEOSA-N 1 0 276.424 3.350 10 0 CGAERO Cc1ccc([C@@H](C[NH3+])N2CCc3sccc3C2)cc1 ZINC000022223108 171379153 /nfs/dbraw/zinc/37/91/53/171379153.db2.gz HKHOIQOQGXOLNN-OAHLLOKOSA-N 1 0 272.417 3.115 10 0 CGAERO Cc1cccc([C@H](C[NH3+])N2CCc3ccccc32)c1 ZINC000022223137 171379234 /nfs/dbraw/zinc/37/92/34/171379234.db2.gz AVPNDRAMQOLAFJ-KRWDZBQOSA-N 1 0 252.361 3.058 10 0 CGAERO CCOc1ccc([C@H]([NH3+])COc2ccccc2)cc1 ZINC000022564643 171391638 /nfs/dbraw/zinc/39/16/38/171391638.db2.gz RESNVPYIPCUXHI-MRXNPFEDSA-N 1 0 257.333 3.164 10 0 CGAERO Cc1ccc(O[C@H]2Cc3ccccc3[C@H]2[NH3+])cc1C ZINC000022567235 171392291 /nfs/dbraw/zinc/39/22/91/171392291.db2.gz RBLIQFIMQMJNBX-DLBZAZTESA-N 1 0 253.345 3.307 10 0 CGAERO Cn1cc(CCC2CC[NH+](C)CC2)c2ccccc21 ZINC000028758072 171572956 /nfs/dbraw/zinc/57/29/56/171572956.db2.gz UNRQUBJIEJFQTD-UHFFFAOYSA-N 1 0 256.393 3.453 10 0 CGAERO COc1ccc(O[C@H](CC[NH3+])c2cccs2)cc1 ZINC000032113078 171706587 /nfs/dbraw/zinc/70/65/87/171706587.db2.gz UEQSSQKENZQJMG-CYBMUJFWSA-N 1 0 263.362 3.226 10 0 CGAERO CC[NH2+][C@H](C)c1c(F)cccc1Sc1nncs1 ZINC000034668994 171855664 /nfs/dbraw/zinc/85/56/64/171855664.db2.gz AXTGHPCUICOEGP-MRVPVSSYSA-N 1 0 283.397 3.499 10 0 CGAERO CC[NH2+][C@@H](C)c1ccc(Sc2nncs2)c(F)c1 ZINC000034669024 171856120 /nfs/dbraw/zinc/85/61/20/171856120.db2.gz IZQSDKGAAMRMRF-QMMMGPOBSA-N 1 0 283.397 3.499 10 0 CGAERO COc1ccc(F)cc1[C@H]([NH3+])c1ccc(F)cc1F ZINC000034957117 171902771 /nfs/dbraw/zinc/90/27/71/171902771.db2.gz FKGTVQSABZZZQN-CQSZACIVSA-N 1 0 267.250 3.161 10 0 CGAERO FC(F)Oc1ccc(C[NH2+][C@@H]2C[C@@H]3CC=C[C@H]23)cc1 ZINC000035010453 171927819 /nfs/dbraw/zinc/92/78/19/171927819.db2.gz NDGWOGYPBJYNTI-FPMFFAJLSA-N 1 0 265.303 3.342 10 0 CGAERO CC1CCC([NH2+]CC(=O)Nc2c(F)cccc2F)CC1 ZINC000035159782 172017980 /nfs/dbraw/zinc/01/79/80/172017980.db2.gz ILOLYBWIBDRIQI-UHFFFAOYSA-N 1 0 282.334 3.072 10 0 CGAERO COc1cccc(C[NH2+][C@@H](C)C(C)C)c1OC(F)F ZINC000035161380 172020425 /nfs/dbraw/zinc/02/04/25/172020425.db2.gz AANDEVHNRTXKIE-JTQLQIEISA-N 1 0 273.323 3.431 10 0 CGAERO Cc1ccc([C@@H]2C[NH2+]C[C@H](c3ccccc3)O2)cc1 ZINC000035285497 172103568 /nfs/dbraw/zinc/10/35/68/172103568.db2.gz BLRSZKDQEGRALV-SJORKVTESA-N 1 0 253.345 3.397 10 0 CGAERO [NH3+][C@@H](c1ccc(Br)o1)c1ccccc1 ZINC000035379512 172162558 /nfs/dbraw/zinc/16/25/58/172162558.db2.gz DSGWQBQQFGBTEP-LLVKDONJSA-N 1 0 252.111 3.090 10 0 CGAERO C[NH2+][C@H](c1cccs1)c1ccc(OC)c(OC)c1 ZINC000035463126 172210881 /nfs/dbraw/zinc/21/08/81/172210881.db2.gz KMKNSYHTZMZXBP-AWEZNQCLSA-N 1 0 263.362 3.074 10 0 CGAERO C[NH2+][C@@H](c1cnn(C)c1)c1cc(Cl)ccc1Cl ZINC000035500397 172233889 /nfs/dbraw/zinc/23/38/89/172233889.db2.gz SVLBXGDKNLSVMP-LBPRGKRZSA-N 1 0 270.163 3.036 10 0 CGAERO CC[NH2+][C@H](c1ccc(OC)c(OC)c1)[C@H](C)CC ZINC000035539542 172245462 /nfs/dbraw/zinc/24/54/62/172245462.db2.gz YEJGPLFAFWGDNA-ABAIWWIYSA-N 1 0 251.370 3.401 10 0 CGAERO CC[NH2+][C@H](C)c1cc2c(cc1Cl)OCCCO2 ZINC000035557350 172262694 /nfs/dbraw/zinc/26/26/94/172262694.db2.gz PRJCSWZTLFAIGF-SECBINFHSA-N 1 0 255.745 3.172 10 0 CGAERO CCC[NH2+][C@H](c1cnn(C)c1)c1ccccc1Cl ZINC000035584138 172283020 /nfs/dbraw/zinc/28/30/20/172283020.db2.gz SFFLEGAKQPFUOC-CQSZACIVSA-N 1 0 263.772 3.163 10 0 CGAERO CCC[NH2+][C@@H](c1cnn(C)c1)c1ccc(Cl)cc1F ZINC000035584209 172283316 /nfs/dbraw/zinc/28/33/16/172283316.db2.gz XKFXJCWRDTYKRX-AWEZNQCLSA-N 1 0 281.762 3.302 10 0 CGAERO CC[NH2+][C@@H](C)c1ccc(NC(=O)c2ccoc2)cc1 ZINC000035635102 172319425 /nfs/dbraw/zinc/31/94/25/172319425.db2.gz HSIPZBFRDAYGDC-NSHDSACASA-N 1 0 258.321 3.202 10 0 CGAERO CCC[NH2+][C@@H](C)c1ccccc1NC(=O)C1CCC1 ZINC000035644121 172322432 /nfs/dbraw/zinc/32/24/32/172322432.db2.gz RLCDVNKJRIVGCC-LBPRGKRZSA-N 1 0 260.381 3.486 10 0 CGAERO CC[NH2+]Cc1ccccc1N(C)Cc1ccsc1 ZINC000035719608 172374321 /nfs/dbraw/zinc/37/43/21/172374321.db2.gz MRTRRUNJDJIXCA-UHFFFAOYSA-N 1 0 260.406 3.494 10 0 CGAERO [NH3+]Cc1ccccc1Sc1nc2ccccc2o1 ZINC000035720213 172375164 /nfs/dbraw/zinc/37/51/64/172375164.db2.gz CEZURJNHMDGYGJ-UHFFFAOYSA-N 1 0 256.330 3.438 10 0 CGAERO CC[C@H](C)SCCCOc1cccc(C[NH3+])c1 ZINC000035722248 172377755 /nfs/dbraw/zinc/37/77/55/172377755.db2.gz PDZVXWFZCIWLQD-LBPRGKRZSA-N 1 0 253.411 3.446 10 0 CGAERO COc1cccc(SCc2ccc(C[NH3+])cc2)c1 ZINC000035723249 172378590 /nfs/dbraw/zinc/37/85/90/172378590.db2.gz SBVDMUDFDHJLID-UHFFFAOYSA-N 1 0 259.374 3.446 10 0 CGAERO C[C@H]1CSc2c(Br)cccc2[C@H]1[NH3+] ZINC000035755538 172397004 /nfs/dbraw/zinc/39/70/04/172397004.db2.gz DMVBLYBXBCAOKD-RCOVLWMOSA-N 1 0 258.184 3.191 10 0 CGAERO CC[NH2+]Cc1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000036281142 172572186 /nfs/dbraw/zinc/57/21/86/172572186.db2.gz CJECHTUSZGJBNL-UHFFFAOYSA-N 1 0 272.323 3.188 10 0 CGAERO CCC[NH2+][C@@H](C)c1ccccc1SCCC(=O)OC ZINC000036336501 172620217 /nfs/dbraw/zinc/62/02/17/172620217.db2.gz OPUAKKMGQGBDOV-LBPRGKRZSA-N 1 0 281.421 3.402 10 0 CGAERO Cc1cnn(C)c1C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000285630260 196349560 /nfs/dbraw/zinc/34/95/60/196349560.db2.gz ZXVPWAJBZHBKPP-AWEZNQCLSA-N 1 0 257.381 3.196 10 0 CGAERO CC(C)C[C@@H](CN(C)C)[NH2+]Cc1cccc(Cl)c1 ZINC000037167003 173001206 /nfs/dbraw/zinc/00/12/06/173001206.db2.gz LQFLHBUUSPKSFY-HNNXBMFYSA-N 1 0 268.832 3.406 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)c1cccc(O)c1 ZINC000037167188 173001695 /nfs/dbraw/zinc/00/16/95/173001695.db2.gz PGWPPSUWBYXZNY-UKRRQHHQSA-N 1 0 264.413 3.019 10 0 CGAERO C[C@H]([NH2+]CC(=O)N(C)C)c1ccc(-c2ccccc2)cc1 ZINC000037207622 173028640 /nfs/dbraw/zinc/02/86/40/173028640.db2.gz VNAVBFPAOATLSH-AWEZNQCLSA-N 1 0 282.387 3.092 10 0 CGAERO CC(C)[C@H](CN[C@H]1CSCc2ccccc21)[NH+](C)C ZINC000037233579 173052396 /nfs/dbraw/zinc/05/23/96/173052396.db2.gz ZTMBZDNNKYAIGJ-HOTGVXAUSA-N 1 0 278.465 3.150 10 0 CGAERO CCCCC[C@H]([NH2+]CCNC(C)=O)c1ccccc1 ZINC000037235670 173053579 /nfs/dbraw/zinc/05/35/79/173053579.db2.gz GWHYKOCMWVBYIQ-INIZCTEOSA-N 1 0 262.397 3.034 10 0 CGAERO CCC[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000037240584 173057068 /nfs/dbraw/zinc/05/70/68/173057068.db2.gz QDSSILRSJYAHEW-NSHDSACASA-N 1 0 272.314 3.284 10 0 CGAERO Cc1cccc(NC(=O)C[NH2+][C@@H]2CCC[C@H](C)C2)c1 ZINC000037255458 173066047 /nfs/dbraw/zinc/06/60/47/173066047.db2.gz HWKIWJRFRJHPTQ-GXTWGEPZSA-N 1 0 260.381 3.102 10 0 CGAERO CC[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1)C(C)C ZINC000037295817 173100116 /nfs/dbraw/zinc/10/01/16/173100116.db2.gz KJSDXBJWQXBFPK-SJORKVTESA-N 1 0 260.425 3.285 10 0 CGAERO C[C@H](C1CC1)[N@H+](C)[C@@H](C)C(=O)c1ccc(F)c(F)c1 ZINC000037338946 173139866 /nfs/dbraw/zinc/13/98/66/173139866.db2.gz HJBVMUXKOYYFPY-ZJUUUORDSA-N 1 0 267.319 3.266 10 0 CGAERO CCn1c2ccc(Cl)cc2nc1[C@@H]([NH3+])CCSC ZINC000037440416 173210146 /nfs/dbraw/zinc/21/01/46/173210146.db2.gz HLIIVVLUYDMOQD-JTQLQIEISA-N 1 0 283.828 3.463 10 0 CGAERO [NH3+]CCCc1nc2cc(Br)ccc2n1C1CC1 ZINC000037441930 173211501 /nfs/dbraw/zinc/21/15/01/173211501.db2.gz FLVVMWQIAVBJSG-UHFFFAOYSA-N 1 0 294.196 3.025 10 0 CGAERO C[C@H]([NH3+])Cc1nc(-c2ccc(Cl)c(Cl)c2)c[nH]1 ZINC000037608886 173557302 /nfs/dbraw/zinc/55/73/02/173557302.db2.gz OTQCPAJHLXFHBA-ZETCQYMHSA-N 1 0 270.163 3.273 10 0 CGAERO Cc1nnc(NC[C@@H](C)[NH+]2CCCCC2)c2ccccc12 ZINC000038029266 174019077 /nfs/dbraw/zinc/01/90/77/174019077.db2.gz VOECAXOMDIHFKN-CYBMUJFWSA-N 1 0 284.407 3.225 10 0 CGAERO [NH3+][C@@H](c1ccc2c(c1)CCCO2)c1ccccc1F ZINC000038057813 174068269 /nfs/dbraw/zinc/06/82/69/174068269.db2.gz LFMSCFQQQFILFP-INIZCTEOSA-N 1 0 257.308 3.199 10 0 CGAERO C[NH2+]Cc1ccc(F)c(-c2ccc(N(C)C)cc2)c1 ZINC000038070130 174080918 /nfs/dbraw/zinc/08/09/18/174080918.db2.gz DAMNKXBFQRGYDC-UHFFFAOYSA-N 1 0 258.340 3.278 10 0 CGAERO C[C@](CO)([NH2+]C1CCCC1)c1ccc(Br)cc1 ZINC000038122793 174130411 /nfs/dbraw/zinc/13/04/11/174130411.db2.gz MQFOPNQPOFLUNZ-CQSZACIVSA-N 1 0 298.224 3.189 10 0 CGAERO [NH3+][C@H](Cc1ccccc1F)c1cc(F)cc(F)c1 ZINC000038129940 174131954 /nfs/dbraw/zinc/13/19/54/174131954.db2.gz GEDYVOSZRGKGAO-CQSZACIVSA-N 1 0 251.251 3.346 10 0 CGAERO OC1(c2ccccc2)C[C@H]2CCC[C@@H](C1)[N@H+]2C1CC1 ZINC000038343380 174140954 /nfs/dbraw/zinc/14/09/54/174140954.db2.gz GRYADOFCKSRGSD-SJPCQFCGSA-N 1 0 257.377 3.054 10 0 CGAERO c1nc2cc(Sc3cccc4c3CC[NH2+]C4)ccc2[nH]1 ZINC000038393603 174141557 /nfs/dbraw/zinc/14/15/57/174141557.db2.gz QXUKZXIGALMNBY-UHFFFAOYSA-N 1 0 281.384 3.360 10 0 CGAERO CC1CCN([C@H](C[NH3+])c2cccc(Br)c2)CC1 ZINC000038827556 174155883 /nfs/dbraw/zinc/15/58/83/174155883.db2.gz ALTGSFXYAWTWOH-CQSZACIVSA-N 1 0 297.240 3.181 10 0 CGAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000040177373 174202435 /nfs/dbraw/zinc/20/24/35/174202435.db2.gz BHWCAZBYLNJIEA-RMEBNNNOSA-N 1 0 280.456 3.094 10 0 CGAERO [NH3+]Cc1ccc(Cn2ccnc2-c2ccccc2)cc1 ZINC000040228232 174208752 /nfs/dbraw/zinc/20/87/52/174208752.db2.gz LBXXNXOTRQENCU-UHFFFAOYSA-N 1 0 263.344 3.057 10 0 CGAERO CC(C)[C@@](C)(C[NH3+])c1cccc(Br)c1 ZINC000041326387 174522837 /nfs/dbraw/zinc/52/28/37/174522837.db2.gz QVRNIXPOUBQWFL-GFCCVEGCSA-N 1 0 256.187 3.322 10 0 CGAERO FC(F)(F)c1ccccc1NC[C@H]1CCC[NH2+]C1 ZINC000041329361 174525981 /nfs/dbraw/zinc/52/59/81/174525981.db2.gz NHDOWLULQFGROE-JTQLQIEISA-N 1 0 258.287 3.117 10 0 CGAERO COc1cccc(C[C@H](C[NH3+])Cc2ccccc2C)c1 ZINC000041390268 174544334 /nfs/dbraw/zinc/54/43/34/174544334.db2.gz DUIOTARSQURPQP-INIZCTEOSA-N 1 0 269.388 3.364 10 0 CGAERO Cc1ccccc1CN(C)[C@H](C[NH3+])c1ccsc1 ZINC000042435999 174732183 /nfs/dbraw/zinc/73/21/83/174732183.db2.gz VZXLNSIESHBLHL-OAHLLOKOSA-N 1 0 260.406 3.188 10 0 CGAERO C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1COc2cc(O)ccc21 ZINC000042857299 174892410 /nfs/dbraw/zinc/89/24/10/174892410.db2.gz LQLSVNZYFSUTJG-LALPHHSUSA-N 1 0 261.365 3.242 10 0 CGAERO C[C@H]([NH3+])[C@@H](c1ccccc1)N(CC(F)(F)F)C1CC1 ZINC000042902661 174906677 /nfs/dbraw/zinc/90/66/77/174906677.db2.gz KOUCTODMRXMGBB-GWCFXTLKSA-N 1 0 272.314 3.102 10 0 CGAERO C[C@@H]([NH3+])[C@H](c1ccc(F)cc1)N(C)Cc1ccsc1 ZINC000042914019 174912978 /nfs/dbraw/zinc/91/29/78/174912978.db2.gz VKEGYAWKUVEEEO-IAQYHMDHSA-N 1 0 278.396 3.408 10 0 CGAERO C[C@@H]([NH3+])[C@H](OC[C@@H]1CCCCO1)c1cccc(Cl)c1 ZINC000043017961 174943983 /nfs/dbraw/zinc/94/39/83/174943983.db2.gz FDQSMLHTGVGYDN-UGFHNGPFSA-N 1 0 283.799 3.314 10 0 CGAERO CC[C@@H]([NH3+])[C@@H](Sc1nc[nH]n1)c1cccc(Cl)c1 ZINC000043018974 174944258 /nfs/dbraw/zinc/94/42/58/174944258.db2.gz HHWPIAPJGZIZSI-MNOVXSKESA-N 1 0 282.800 3.029 10 0 CGAERO CC[C@@H]([NH3+])[C@H](SCCOC)c1cccc(Cl)c1 ZINC000043019448 174944295 /nfs/dbraw/zinc/94/42/95/174944295.db2.gz GFNXQJMTEAZGJH-CHWSQXEVSA-N 1 0 273.829 3.498 10 0 CGAERO CCCCCO[C@@H](c1cccc(OC)c1)[C@@H](C)[NH3+] ZINC000043031063 174948602 /nfs/dbraw/zinc/94/86/02/174948602.db2.gz DROAMAATSONFDA-IUODEOHRSA-N 1 0 251.370 3.290 10 0 CGAERO CCCCCO[C@H](c1cccc(OC)c1)[C@H](C)[NH3+] ZINC000043031074 174948732 /nfs/dbraw/zinc/94/87/32/174948732.db2.gz DROAMAATSONFDA-WFASDCNBSA-N 1 0 251.370 3.290 10 0 CGAERO COc1cccc([C@H](SCC(C)C)[C@@H](C)[NH3+])c1 ZINC000043032414 174949232 /nfs/dbraw/zinc/94/92/32/174949232.db2.gz BCHLEUGXCHPFCB-BXUZGUMPSA-N 1 0 253.411 3.473 10 0 CGAERO C[C@@H]([NH3+])[C@H](OCc1ccccc1)c1ccccc1F ZINC000043046516 174956873 /nfs/dbraw/zinc/95/68/73/174956873.db2.gz KYBNXMYYTSXLKH-WBMJQRKESA-N 1 0 259.324 3.431 10 0 CGAERO COC(=O)CCS[C@@H](c1ccccc1Cl)[C@@H](C)[NH3+] ZINC000043089879 174963934 /nfs/dbraw/zinc/96/39/34/174963934.db2.gz TWZZMNBUWLDXFL-NOZJJQNGSA-N 1 0 287.812 3.025 10 0 CGAERO CC[C@@H]([NH3+])[C@@H](c1cccs1)N(C)Cc1ccoc1 ZINC000043105412 174970357 /nfs/dbraw/zinc/97/03/57/174970357.db2.gz FHTWQWLOQOGVBG-OCCSQVGLSA-N 1 0 264.394 3.252 10 0 CGAERO C[NH2+][C@H](C)[C@@H](C)Cc1cc(Br)cs1 ZINC000043688059 175094968 /nfs/dbraw/zinc/09/49/68/175094968.db2.gz STBJVTOCXBBNQW-JGVFFNPUSA-N 1 0 262.216 3.297 10 0 CGAERO COc1ccccc1[C@@H](O)C[NH+](CC(C)C)CC(C)C ZINC000044162853 175148229 /nfs/dbraw/zinc/14/82/29/175148229.db2.gz USPCMEQQGAKJAY-INIZCTEOSA-N 1 0 279.424 3.343 10 0 CGAERO CCCn1c(C[NH2+]CC)nc2cc(Br)ccc21 ZINC000044623974 175220868 /nfs/dbraw/zinc/22/08/68/175220868.db2.gz NLKGFVUSDUBJOH-UHFFFAOYSA-N 1 0 296.212 3.318 10 0 CGAERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000044683795 175230309 /nfs/dbraw/zinc/23/03/09/175230309.db2.gz KOOPSWUZJTYKOL-VNQPRFMTSA-N 1 0 264.457 3.418 10 0 CGAERO Cc1ccc(C[NH2+]CCCOc2ccccn2)s1 ZINC000045945439 175387739 /nfs/dbraw/zinc/38/77/39/175387739.db2.gz LHCJYERCPDVSIF-UHFFFAOYSA-N 1 0 262.378 3.010 10 0 CGAERO c1nc(CC[NH2+]Cc2ccc(-c3ccccc3)cc2)c[nH]1 ZINC000045946297 175388000 /nfs/dbraw/zinc/38/80/00/175388000.db2.gz MZQRCHRUFZPMHT-UHFFFAOYSA-N 1 0 277.371 3.409 10 0 CGAERO Cc1ncsc1C[NH2+][C@H]1CCCc2cc(O)ccc21 ZINC000071213076 176084642 /nfs/dbraw/zinc/08/46/42/176084642.db2.gz JAZAYGNKUYUTQD-AWEZNQCLSA-N 1 0 274.389 3.324 10 0 CGAERO CCCN([C@@H](CC)c1cccs1)[C@@H]1CC[NH2+]C1 ZINC000071314974 176121524 /nfs/dbraw/zinc/12/15/24/176121524.db2.gz QKTLAXKUJHVIOI-OLZOCXBDSA-N 1 0 252.427 3.273 10 0 CGAERO CC[C@H]1CN(Cc2ccc(F)cc2)[C@H](C(C)C)C[NH2+]1 ZINC000071343654 176131116 /nfs/dbraw/zinc/13/11/16/176131116.db2.gz VWEGHKJQTQUHPV-HOTGVXAUSA-N 1 0 264.388 3.034 10 0 CGAERO CC[C@H]1CN(Cc2cccc(F)c2)[C@H](C(C)C)C[NH2+]1 ZINC000071343666 176131207 /nfs/dbraw/zinc/13/12/07/176131207.db2.gz SBCYOVYCPXSXCZ-HOTGVXAUSA-N 1 0 264.388 3.034 10 0 CGAERO Cc1cc(Br)ccc1C1([NH3+])CCCC1 ZINC000071575431 176203025 /nfs/dbraw/zinc/20/30/25/176203025.db2.gz ZUEVQKOTUNHTJW-UHFFFAOYSA-N 1 0 254.171 3.486 10 0 CGAERO CC(C)[C@H]([NH3+])[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000071576728 176204502 /nfs/dbraw/zinc/20/45/02/176204502.db2.gz RDKDFZBHDVUULD-IRXDYDNUSA-N 1 0 255.361 3.370 10 0 CGAERO CC(C)(C)c1ccc([C@](C)(O)[C@H]2CCC[NH2+]C2)cc1 ZINC000071587890 176215665 /nfs/dbraw/zinc/21/56/65/176215665.db2.gz MGRHEXBTJYDKFC-RDJZCZTQSA-N 1 0 261.409 3.191 10 0 CGAERO CC[NH2+][C@H](CC)C(=O)c1cc(C)c(OC)c(C)c1C ZINC000071595951 176218940 /nfs/dbraw/zinc/21/89/40/176218940.db2.gz ALNDPPWBIJTOQD-CQSZACIVSA-N 1 0 263.381 3.191 10 0 CGAERO Cc1cc([C@H](O)[C@@H](C)[NH2+]C(C)C)ccc1OC(C)C ZINC000071598052 176221636 /nfs/dbraw/zinc/22/16/36/176221636.db2.gz BQHMIXXWBFMATN-CZUORRHYSA-N 1 0 265.397 3.202 10 0 CGAERO COc1cc(C)c([C@H](C)OCC[NH3+])cc1C(C)(C)C ZINC000071598048 176221695 /nfs/dbraw/zinc/22/16/95/176221695.db2.gz SYTBMMWGZXPLNO-LBPRGKRZSA-N 1 0 265.397 3.337 10 0 CGAERO O[C@H](c1ccc(Oc2ccccc2)cc1)[C@@H]1CCC[NH2+]1 ZINC000071600593 176226699 /nfs/dbraw/zinc/22/66/99/176226699.db2.gz DWMMCIGBVZLRDX-DLBZAZTESA-N 1 0 269.344 3.264 10 0 CGAERO COc1cc2c(cc1OC)C(C)(C)C[NH2+][C@@H]2c1cccnc1 ZINC000071652626 176241549 /nfs/dbraw/zinc/24/15/49/176241549.db2.gz ZHHBPTPOIXTSGK-QGZVFWFLSA-N 1 0 298.386 3.069 10 0 CGAERO COC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CC[NH2+]C1 ZINC000072391782 176393755 /nfs/dbraw/zinc/39/37/55/176393755.db2.gz GDBZPYYGUSHIFH-IBGZPJMESA-N 1 0 295.382 3.049 10 0 CGAERO C[NH2+]CCCCC(=O)N(C)c1cc(Cl)ccc1C ZINC000076401310 177017502 /nfs/dbraw/zinc/01/75/02/177017502.db2.gz KKTFIEOFHYNSSU-UHFFFAOYSA-N 1 0 268.788 3.001 10 0 CGAERO COc1ccc([C@@H](CC[NH3+])C(C)(C)C)c(OC)c1 ZINC000076656057 177045544 /nfs/dbraw/zinc/04/55/44/177045544.db2.gz MCUSWRYHSNLITQ-CYBMUJFWSA-N 1 0 251.370 3.182 10 0 CGAERO Cc1cc(Cl)ccc1N(CC[NH3+])CCC(C)C ZINC000076659182 177047405 /nfs/dbraw/zinc/04/74/05/177047405.db2.gz ZYQJHJAXMGVUMX-UHFFFAOYSA-N 1 0 254.805 3.460 10 0 CGAERO CCC[C@@H](CC[NH3+])C(=O)Nc1c(C)cc(C)cc1C ZINC000076675581 177055966 /nfs/dbraw/zinc/05/59/66/177055966.db2.gz MWMXOWRWVXHOLT-AWEZNQCLSA-N 1 0 262.397 3.315 10 0 CGAERO CC1(C)CC[C@H]2CCN(Cc3ccccc3)C[C@@H]2[NH2+]1 ZINC000076697689 177061186 /nfs/dbraw/zinc/06/11/86/177061186.db2.gz KSWFKFDPBGLFIU-HOTGVXAUSA-N 1 0 258.409 3.039 10 0 CGAERO CC[C@@H](C[NH3+])CC(=O)Nc1ccc(C)c(Br)c1 ZINC000076870174 177125468 /nfs/dbraw/zinc/12/54/68/177125468.db2.gz CXPQGRLUHXGTTD-SNVBAGLBSA-N 1 0 299.212 3.071 10 0 CGAERO [NH3+]CCC1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000053705695 416479636 /nfs/dbraw/zinc/47/96/36/416479636.db2.gz ZATKNAXGAIWMEM-UHFFFAOYSA-N 1 0 289.810 3.453 10 0 CGAERO CCC[C@H]([NH3+])C(=O)Nc1ccccc1OCc1ccccc1 ZINC000309814981 416529803 /nfs/dbraw/zinc/52/98/03/416529803.db2.gz NVONSOBEFCZUEV-HNNXBMFYSA-N 1 0 298.386 3.332 10 0 CGAERO O[C@H]1CCC[C@@H](C[N@@H+]2CCC3(C2)CCCCC3)C1 ZINC000310980839 416531834 /nfs/dbraw/zinc/53/18/34/416531834.db2.gz JSRHRMHVQKFXLZ-CABCVRRESA-N 1 0 251.414 3.194 10 0 CGAERO COCc1nc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cs1 ZINC000682555369 543852257 /nfs/dbraw/zinc/85/22/57/543852257.db2.gz WTGOFBCEFJETBJ-UHFFFAOYSA-N 1 0 292.448 3.348 10 0 CGAERO Cc1ccsc1C[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000131873386 287391487 /nfs/dbraw/zinc/39/14/87/287391487.db2.gz WFUSJINRADGOSZ-ZDUSSCGKSA-N 1 0 261.394 3.127 10 0 CGAERO C[C@@H]1CC(C[NH2+][C@H]2CCCc3cccnc32)C[C@@H](C)O1 ZINC000684963644 544047228 /nfs/dbraw/zinc/04/72/28/544047228.db2.gz WYLJJZDFQSBDQU-IOASZLSFSA-N 1 0 274.408 3.252 10 0 CGAERO CC(C)(C)OC(=O)c1ccc(C2CC[NH2+]CC2)cc1 ZINC000725264265 544113942 /nfs/dbraw/zinc/11/39/42/544113942.db2.gz TXXNJBLRNNZIJC-UHFFFAOYSA-N 1 0 261.365 3.109 10 0 CGAERO CC(C)(C)OC(=O)[C@]1(C)CC2(C[C@H]1[NH3+])CCCCC2 ZINC000725266652 544114803 /nfs/dbraw/zinc/11/48/03/544114803.db2.gz DUCZVPLTFKCCCD-IUODEOHRSA-N 1 0 267.413 3.406 10 0 CGAERO FC(F)(F)c1cc(C[NH2+]C2CCC2)cc(Cl)n1 ZINC000725269620 544114931 /nfs/dbraw/zinc/11/49/31/544114931.db2.gz BBRPKYNNMGPQTO-UHFFFAOYSA-N 1 0 264.678 3.396 10 0 CGAERO C[C@@H](NC(=O)C1([NH3+])CC2(CCC2)C1)c1ccccc1Cl ZINC000659278304 418971009 /nfs/dbraw/zinc/97/10/09/418971009.db2.gz LAQSPOWJBITANH-LLVKDONJSA-N 1 0 292.810 3.179 10 0 CGAERO CC1(C)CCN(C(=O)C[C@H]2CCC[NH2+]C2)CC(C)(C)C1 ZINC000659358161 418980041 /nfs/dbraw/zinc/98/00/41/418980041.db2.gz PWMPLPQHZMHSEH-CQSZACIVSA-N 1 0 280.456 3.051 10 0 CGAERO CC[C@H](CC(F)F)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000660011683 419063647 /nfs/dbraw/zinc/06/36/47/419063647.db2.gz ILIIEVHSANIERK-NFAWXSAZSA-N 1 0 275.383 3.295 10 0 CGAERO Cc1c[nH]c(C[NH2+]CC2CCC(C(F)(F)F)CC2)n1 ZINC000657384264 419266055 /nfs/dbraw/zinc/26/60/55/419266055.db2.gz UABNWJOWJRYDNL-UHFFFAOYSA-N 1 0 275.318 3.176 10 0 CGAERO CCn1c(C)nnc1C[NH2+][C@@H]1CCCC12CCCCC2 ZINC000661126249 419232462 /nfs/dbraw/zinc/23/24/62/419232462.db2.gz AJMUGAYULMPLHN-CQSZACIVSA-N 1 0 276.428 3.199 10 0 CGAERO O[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@@H](C3CCC3)C2)C1 ZINC000662042799 419327537 /nfs/dbraw/zinc/32/75/37/419327537.db2.gz HBAVOTLZLMXDRZ-NUEKZKHPSA-N 1 0 251.414 3.050 10 0 CGAERO CN(C)C[C@H]([NH2+][C@@H]1CCCSCC1)c1ccccc1 ZINC000657826795 419374789 /nfs/dbraw/zinc/37/47/89/419374789.db2.gz KWRCCJFFEZPVBZ-CVEARBPZSA-N 1 0 278.465 3.165 10 0 CGAERO CCC[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1ccc(Cl)cc1 ZINC000658246043 419695963 /nfs/dbraw/zinc/69/59/63/419695963.db2.gz WIQYFTWILZBOEL-IUODEOHRSA-N 1 0 294.826 3.249 10 0 CGAERO Cc1c[nH+]ccc1NCC[C@@H](C)NC(=O)OC(C)(C)C ZINC000192550631 287601806 /nfs/dbraw/zinc/60/18/06/287601806.db2.gz OMRXEDJMSOCQMQ-GFCCVEGCSA-N 1 0 279.384 3.105 10 0 CGAERO OC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000223863451 287631274 /nfs/dbraw/zinc/63/12/74/287631274.db2.gz YXMHDDRQXDPVQN-QXSJWSMHSA-N 1 0 251.414 3.096 10 0 CGAERO C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000226325348 287634294 /nfs/dbraw/zinc/63/42/94/287634294.db2.gz FOLMPHVMRKANFZ-DJIMGWMZSA-N 1 0 261.409 3.148 10 0 CGAERO Cc1ccc(-c2n[nH+]c(NN)c3ccccc32)cc1C ZINC000003885842 260013487 /nfs/dbraw/zinc/01/34/87/260013487.db2.gz WLPKNECZNBKQDH-UHFFFAOYSA-N 1 0 264.332 3.199 10 0 CGAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000090175177 260336525 /nfs/dbraw/zinc/33/65/25/260336525.db2.gz FTQQVFPMUZNZJF-NWANDNLSSA-N 1 0 277.408 3.413 10 0 CGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCC(=O)N1CCCCC1 ZINC000225622947 261436318 /nfs/dbraw/zinc/43/63/18/261436318.db2.gz CZDSMCGEBWGQEL-IKGGRYGDSA-N 1 0 294.483 3.439 10 0 CGAERO CC[C@H]([NH2+][C@@H](C)CN(C)Cc1ccccc1)C1CC1 ZINC000390743181 262250330 /nfs/dbraw/zinc/25/03/30/262250330.db2.gz NMPALEXQSYLGNU-YOEHRIQHSA-N 1 0 260.425 3.285 10 0 CGAERO COc1ccc(C)cc1[C@@H](C)[NH2+]CC(C)(C)C(C)(C)O ZINC000393695244 264298629 /nfs/dbraw/zinc/29/86/29/264298629.db2.gz OZWWWUMYDCWNGG-CYBMUJFWSA-N 1 0 279.424 3.451 10 0 CGAERO CCCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccs1 ZINC000035206899 270027536 /nfs/dbraw/zinc/02/75/36/270027536.db2.gz SMWJGPXRDWANKK-VXGBXAGGSA-N 1 0 268.426 3.094 10 0 CGAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1ccccc1F ZINC000042267499 270032027 /nfs/dbraw/zinc/03/20/27/270032027.db2.gz FNTISXUABDADCF-ZDUSSCGKSA-N 1 0 286.350 3.423 10 0 CGAERO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(=O)N1CCCCCC1 ZINC000042302620 270032207 /nfs/dbraw/zinc/03/22/07/270032207.db2.gz AFVDVUHASZVYDI-CVEARBPZSA-N 1 0 288.435 3.437 10 0 CGAERO CCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000042587929 270032769 /nfs/dbraw/zinc/03/27/69/270032769.db2.gz CCJXMOANYJUXRX-VHSXEESVSA-N 1 0 288.844 3.357 10 0 CGAERO Cc1cccc(C[NH2+][C@H](CC(C)C)CN(C)C)c1C ZINC000043314154 270034380 /nfs/dbraw/zinc/03/43/80/270034380.db2.gz TUQBRJBOICOSOW-QGZVFWFLSA-N 1 0 262.441 3.369 10 0 CGAERO CCN(CC)C[C@H](C)[NH2+][C@H](c1ccc(OC)cc1)C1CC1 ZINC000045692877 270038820 /nfs/dbraw/zinc/03/88/20/270038820.db2.gz CACNKCZCBRBWJF-KSSFIOAISA-N 1 0 290.451 3.466 10 0 CGAERO CCCCCc1ccc(NC(=O)[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000085370867 270043484 /nfs/dbraw/zinc/04/34/84/270043484.db2.gz FNHRUXKVMXHGCA-JKSUJKDBSA-N 1 0 274.408 3.485 10 0 CGAERO C[C@H](CN1CC[NH2+]CC12CCCCC2)c1ccccc1 ZINC000088395764 270043780 /nfs/dbraw/zinc/04/37/80/270043780.db2.gz HTIXGLNYQOINOY-MRXNPFEDSA-N 1 0 272.436 3.398 10 0 CGAERO CC(C)(C)OC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000246423571 287705799 /nfs/dbraw/zinc/70/57/99/287705799.db2.gz CGIJHXYLZFGYLP-RBSFLKMASA-N 1 0 285.472 3.357 10 0 CGAERO Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)CC2 ZINC000247953315 287751984 /nfs/dbraw/zinc/75/19/84/287751984.db2.gz FGVIPIKAZAHIBE-DJIMGWMZSA-N 1 0 259.393 3.123 10 0 CGAERO O[C@@H]1c2ccccc2C[C@@H]1[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000178352140 275055564 /nfs/dbraw/zinc/05/55/64/275055564.db2.gz NLKTXAYYAABOKQ-FGTMMUONSA-N 1 0 283.346 3.061 10 0 CGAERO CC(C)(C)c1ccc(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000089106612 275535556 /nfs/dbraw/zinc/53/55/56/275535556.db2.gz MSJHGBINSZKJNV-HOCLYGCPSA-N 1 0 288.435 3.231 10 0 CGAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H]1CCC13CCCC3)CC2 ZINC000189162181 275762821 /nfs/dbraw/zinc/76/28/21/275762821.db2.gz YGVDUXREEWVMDF-KBPBESRZSA-N 1 0 288.439 3.029 10 0 CGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H]1CC(C)(C)C[C@H]1C)CC2 ZINC000193128550 275777271 /nfs/dbraw/zinc/77/72/71/275777271.db2.gz PGZMQNJJBNSKDS-MCIONIFRSA-N 1 0 290.455 3.131 10 0 CGAERO CC1(C)C[C@@H]([NH2+]CC2CCOCC2)c2ccccc2O1 ZINC000153078055 276142825 /nfs/dbraw/zinc/14/28/25/276142825.db2.gz BMFSILJMAGEBOB-OAHLLOKOSA-N 1 0 275.392 3.305 10 0 CGAERO CC1CCC([NH2+][C@@H]2CC(=O)N(C)c3ccccc32)CC1 ZINC000037201592 276191337 /nfs/dbraw/zinc/19/13/37/276191337.db2.gz JXUXOHZMXMIVNC-SSDMNJCBSA-N 1 0 272.392 3.263 10 0 CGAERO CC[NH2+]CCC[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095091560 276419964 /nfs/dbraw/zinc/41/99/64/276419964.db2.gz PNGOEWZQZXDUMW-CYBMUJFWSA-N 1 0 270.417 3.166 10 0 CGAERO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000248405089 276694081 /nfs/dbraw/zinc/69/40/81/276694081.db2.gz QZXFYMSWPQMXAV-RQJABVFESA-N 1 0 276.428 3.090 10 0 CGAERO CC(C)(C)[NH2+]CCN1CCCC[C@@H]1c1nccs1 ZINC000414691582 277172537 /nfs/dbraw/zinc/17/25/37/277172537.db2.gz JTKTWIMDRWNTRQ-GFCCVEGCSA-N 1 0 267.442 3.058 10 0 CGAERO C[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H](C[NH3+])C1 ZINC000235363253 277747535 /nfs/dbraw/zinc/74/75/35/277747535.db2.gz BIEHYQKEQVDPND-CZUORRHYSA-N 1 0 288.435 3.184 10 0 CGAERO CCC(C)(C)C1CCC([NH2+][C@H]2CCC(=O)N[C@H]2C)CC1 ZINC000392892617 287996559 /nfs/dbraw/zinc/99/65/59/287996559.db2.gz ZXMZBQBJFQKBLE-PPWQZUPISA-N 1 0 280.456 3.238 10 0 CGAERO C[C@H](N[C@@H]1CCC[NH2+][C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000396574185 288014061 /nfs/dbraw/zinc/01/40/61/288014061.db2.gz MGXAJXAOWQAGDV-MISXGVKJSA-N 1 0 286.341 3.497 10 0 CGAERO CCc1ccc([C@H](C)NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])cc1 ZINC000399415870 288051391 /nfs/dbraw/zinc/05/13/91/288051391.db2.gz FYBUFQMANCTAQU-WWGRRREGSA-N 1 0 276.424 3.046 10 0 CGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1[C@H]3CCO[C@H]3C1(C)C)CC2 ZINC000248199085 278891817 /nfs/dbraw/zinc/89/18/17/278891817.db2.gz XZHFYIUBAOGQDB-MWQQHZPXSA-N 1 0 271.404 3.385 10 0 CGAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1cc(F)cc(F)c1 ZINC000094826353 279496974 /nfs/dbraw/zinc/49/69/74/279496974.db2.gz IBTVVKQEPXXTBU-BHDSKKPTSA-N 1 0 255.308 3.183 10 0 CGAERO O[C@H]1c2ccccc2O[C@]2([NH+]3CCCC3)CCCC[C@@H]12 ZINC000017125951 280448473 /nfs/dbraw/zinc/44/84/73/280448473.db2.gz JLHMLQKTHCZJSS-BHYGNILZSA-N 1 0 273.376 3.095 10 0 CGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCCCC(F)(F)F ZINC000149949932 281194836 /nfs/dbraw/zinc/19/48/36/281194836.db2.gz QQABPPGUHIWKIR-QWHCGFSZSA-N 1 0 278.362 3.278 10 0 CGAERO Cc1ccccc1[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC000032629314 281364372 /nfs/dbraw/zinc/36/43/72/281364372.db2.gz CHUZLHPFTUXJPV-GJZGRUSLSA-N 1 0 290.407 3.047 10 0 CGAERO Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000247992087 281381059 /nfs/dbraw/zinc/38/10/59/281381059.db2.gz JMDOVBBBXLAWDR-LSDHHAIUSA-N 1 0 269.392 3.279 10 0 CGAERO Cc1ccccc1[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH3+] ZINC000032629320 281391484 /nfs/dbraw/zinc/39/14/84/281391484.db2.gz CHUZLHPFTUXJPV-HUUCEWRRSA-N 1 0 290.407 3.047 10 0 CGAERO Cc1cnc([C@H](C)[NH2+][C@H](C)CCc2ccc(O)cc2)o1 ZINC000231901005 281641003 /nfs/dbraw/zinc/64/10/03/281641003.db2.gz CHNJWOOUALVKKN-YPMHNXCESA-N 1 0 274.364 3.361 10 0 CGAERO COCC[C@@](C)(O)C[NH2+][C@H](c1ccccc1Cl)C(C)C ZINC000180117551 292659124 /nfs/dbraw/zinc/65/91/24/292659124.db2.gz VKRIYBWWJPKLGK-JKSUJKDBSA-N 1 0 299.842 3.414 10 0 CGAERO C[C@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)c1nnc2n1CCCCC2 ZINC000221950279 290057820 /nfs/dbraw/zinc/05/78/20/290057820.db2.gz IOHZQAQUDSLPTD-QPSCCSFWSA-N 1 0 290.455 3.480 10 0 CGAERO C[C@H](c1ccccc1F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000093939091 290266058 /nfs/dbraw/zinc/26/60/58/290266058.db2.gz GPUPWMRMTDJDPP-ZIAGYGMSSA-N 1 0 262.372 3.057 10 0 CGAERO C[C@H](c1ccco1)[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000100248359 290273224 /nfs/dbraw/zinc/27/32/24/290273224.db2.gz JZTJZHLZTPZMGE-OLZOCXBDSA-N 1 0 294.395 3.187 10 0 CGAERO [NH3+][C@@H]1C[C@@H](c2cccc(F)c2)Nc2cc3c(cc21)OCO3 ZINC000097758489 295324580 /nfs/dbraw/zinc/32/45/80/295324580.db2.gz MLXGUXHOSCJZNF-OLZOCXBDSA-N 1 0 286.306 3.111 10 0 CGAERO CCC[C@H](C(=O)Nc1cccc([C@@H](C)OC)c1)[NH+](C)C ZINC000161957886 321876147 /nfs/dbraw/zinc/87/61/47/321876147.db2.gz SSIPWWIBXMDSLY-IUODEOHRSA-N 1 0 278.396 3.063 10 0 CGAERO [NH3+][C@@H]1CCCc2cn(Cc3cccc(C(F)F)c3)nc21 ZINC000564075575 322019700 /nfs/dbraw/zinc/01/97/00/322019700.db2.gz GNEDCXBWQHGEFE-CYBMUJFWSA-N 1 0 277.318 3.205 10 0 CGAERO CCN1CC[C@@H]([NH2+][C@@H](C)c2cc3c(s2)CCCC3)C1 ZINC000389547634 328944475 /nfs/dbraw/zinc/94/44/75/328944475.db2.gz MWWKKFBPVZDMLQ-GXTWGEPZSA-N 1 0 278.465 3.372 10 0 CGAERO FC1(F)CC(C[NH2+]Cc2ccnc3ccccc23)C1 ZINC000394800913 329140566 /nfs/dbraw/zinc/14/05/66/329140566.db2.gz MDWFKROKTJUCJL-UHFFFAOYSA-N 1 0 262.303 3.370 10 0 CGAERO CC(C)(C)OC(=O)N1c2ccccc2[C@@H]([NH3+])C1(C)C ZINC000536950112 330382112 /nfs/dbraw/zinc/38/21/12/330382112.db2.gz LRWFUEPFVBCDSV-GFCCVEGCSA-N 1 0 262.353 3.220 10 0 CGAERO C[C@@H]1C[C@H](c2cccc(C(=O)OC(C)(C)C)c2)C[NH2+]1 ZINC000536958961 330383890 /nfs/dbraw/zinc/38/38/90/330383890.db2.gz NBAXRWDQUWVFSM-RISCZKNCSA-N 1 0 261.365 3.107 10 0 CGAERO CN(C)c1cccc([C@H]([NH3+])C(C)(C)C(=O)OC(C)(C)C)c1 ZINC000536958919 330383941 /nfs/dbraw/zinc/38/39/41/330383941.db2.gz LPRSRDKMTMOPBA-AWEZNQCLSA-N 1 0 292.423 3.120 10 0 CGAERO CC[C@@H](C)NC(=O)C[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000183215186 335879804 /nfs/dbraw/zinc/87/98/04/335879804.db2.gz VGPCTJZZKUSHCS-CXAGYDPISA-N 1 0 288.435 3.204 10 0 CGAERO 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C[NH2+]C(C)(C)C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000061318328 521936672 /nfs/dbraw/zinc/93/66/72/521936672.db2.gz SMKDVFFHVHIFCI-QMMMGPOBSA-N 1 0 289.206 3.169 10 0 CGAERO C[NH2+]Cc1cc(COc2ccc(Cl)c(Cl)c2)on1 ZINC000052702508 522110879 /nfs/dbraw/zinc/11/08/79/522110879.db2.gz AUPJFSGCAZMPED-UHFFFAOYSA-N 1 0 287.146 3.280 10 0 CGAERO CC[C@H](CCO)C[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000094949129 522146731 /nfs/dbraw/zinc/14/67/31/522146731.db2.gz BDOYGJWPIPJACV-CXAGYDPISA-N 1 0 277.408 3.145 10 0 CGAERO CC[C@H](C[NH2+]C(C)(C)C)N(C)Cc1ccccc1F ZINC000052541372 522189848 /nfs/dbraw/zinc/18/98/48/522189848.db2.gz ZOIOOLSOAIVJPK-CQSZACIVSA-N 1 0 266.404 3.424 10 0 CGAERO C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)[C@H](C)C1 ZINC000049713557 522396615 /nfs/dbraw/zinc/39/66/15/522396615.db2.gz FPFXYZDLCNIBQZ-MWLCHTKSSA-N 1 0 256.752 3.056 10 0 CGAERO C[NH2+][C@H](C)c1sc(Cc2nc(C)cs2)nc1C ZINC000055269604 522456199 /nfs/dbraw/zinc/45/61/99/522456199.db2.gz VRFUMCQQOZQOIS-MRVPVSSYSA-N 1 0 267.423 3.088 10 0 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AWQNLGSBMIYMME-KGLIPLIRSA-N 1 0 294.414 3.166 10 0 CGAERO Cc1nnc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)o1 ZINC000176009091 232330341 /nfs/dbraw/zinc/33/03/41/232330341.db2.gz ZJCAKERRCJGPOD-KJEFBRPJSA-N 1 0 275.396 3.073 10 0 CGAERO [NH3+]C[C@H]1C[C@@H]1c1ccc(Cl)cc1Br ZINC000126670834 346025792 /nfs/dbraw/zinc/02/57/92/346025792.db2.gz GISHYAUCHFQUNJ-MUWHJKNJSA-N 1 0 260.562 3.165 10 0 CGAERO CCOc1ccc(Br)c(C[C@@H]([NH3+])CC)c1 ZINC000133437163 346078090 /nfs/dbraw/zinc/07/80/90/346078090.db2.gz KZIFHBJBZMEQKH-JTQLQIEISA-N 1 0 272.186 3.128 10 0 CGAERO C[C@H](c1cc(F)ccc1OC[C@H](C)[NH3+])C(F)(F)F ZINC000144451720 346118371 /nfs/dbraw/zinc/11/83/71/346118371.db2.gz COJBGHNFBQIZQN-JGVFFNPUSA-N 1 0 265.250 3.218 10 0 CGAERO CCC(=O)[C@@]1(Cc2ccc(Br)cc2)CCC[NH2+]1 ZINC000145904727 346121285 /nfs/dbraw/zinc/12/12/85/346121285.db2.gz FNGBWSORUHCOKK-AWEZNQCLSA-N 1 0 296.208 3.093 10 0 CGAERO OC[C@H]1C[C@H](Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000147301076 346125444 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/nfs/dbraw/zinc/18/76/45/172187645.db2.gz HSWRGOFWRJAATA-UHFFFAOYSA-N 1 0 251.370 3.374 10 0 CGAERO COc1ccc([C@H]([NH3+])c2ccc(C)cc2C)cc1F ZINC000035424330 172192323 /nfs/dbraw/zinc/19/23/23/172192323.db2.gz MZMAFOQEMGIKDF-INIZCTEOSA-N 1 0 259.324 3.499 10 0 CGAERO C[NH2+][C@@H](c1ccc(F)cc1)c1cc(F)ccc1F ZINC000035468782 172218182 /nfs/dbraw/zinc/21/81/82/172218182.db2.gz SRRJZJIDCBYORP-AWEZNQCLSA-N 1 0 251.251 3.413 10 0 CGAERO C[NH2+][C@H](c1cnn(C)c1)c1ccc(Cl)cc1Cl ZINC000035499994 172233911 /nfs/dbraw/zinc/23/39/11/172233911.db2.gz CHZRFGMQFSMDFM-GFCCVEGCSA-N 1 0 270.163 3.036 10 0 CGAERO C[NH2+][C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCO1 ZINC000035501604 172236024 /nfs/dbraw/zinc/23/60/24/172236024.db2.gz DWVZIFAEPLDMPT-VXGBXAGGSA-N 1 0 260.164 3.433 10 0 CGAERO CCC[NH2+][C@@H](c1ccc(OC)c(OC)c1)C(C)C ZINC000035574570 172271113 /nfs/dbraw/zinc/27/11/13/172271113.db2.gz MYFGXYFUOSQLQE-OAHLLOKOSA-N 1 0 251.370 3.401 10 0 CGAERO C[NH2+][C@H](C)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000035635301 172320068 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/nfs/dbraw/zinc/37/44/65/172374465.db2.gz CMUMRYUKQVBAJT-NSHDSACASA-N 1 0 290.354 3.106 10 0 CGAERO [NH3+]Cc1ccc(Sc2ccccc2Cl)nc1 ZINC000035720098 172375143 /nfs/dbraw/zinc/37/51/43/172375143.db2.gz VAMPDFZVIUPPHT-UHFFFAOYSA-N 1 0 250.754 3.345 10 0 CGAERO CC[C@@H](C)SCCOc1ccc(CC[NH3+])cc1 ZINC000035722249 172377506 /nfs/dbraw/zinc/37/75/06/172377506.db2.gz AGOPHFCIMYFFIT-GFCCVEGCSA-N 1 0 253.411 3.098 10 0 CGAERO COc1cccc(S[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000035723289 172378613 /nfs/dbraw/zinc/37/86/13/172378613.db2.gz IYNRRKALDLMCBN-BXUZGUMPSA-N 1 0 251.395 3.305 10 0 CGAERO COC(=O)C[C@H](C)[NH2+]CCc1ccc(Cl)cc1Cl ZINC000035748195 172395963 /nfs/dbraw/zinc/39/59/63/172395963.db2.gz RAEVVUKPKZCHDV-VIFPVBQESA-N 1 0 290.190 3.077 10 0 CGAERO CCC[C@@H](C)N(C)[C@@H](C[NH3+])c1c(F)cccc1F ZINC000036790186 172710053 /nfs/dbraw/zinc/71/00/53/172710053.db2.gz XHSOKYPEKDIMJK-MFKMUULPSA-N 1 0 256.340 3.085 10 0 CGAERO CC[C@@H](C)CN(C)[C@@H](C[NH3+])c1ccccc1Br ZINC000037172760 173007067 /nfs/dbraw/zinc/00/70/67/173007067.db2.gz NMORCHQYEPCQQG-RISCZKNCSA-N 1 0 299.256 3.427 10 0 CGAERO [NH3+]CCCCCCc1nc2cc(F)ccc2s1 ZINC000037205207 173027322 /nfs/dbraw/zinc/02/73/22/173027322.db2.gz OWAILMQQXHJXND-UHFFFAOYSA-N 1 0 252.358 3.497 10 0 CGAERO C[C@@H]([NH2+][C@@H]1CN2CCC1CC2)c1ccc(F)cc1Cl ZINC000037211709 173032571 /nfs/dbraw/zinc/03/25/71/173032571.db2.gz DOSJWIJSXPSSPA-MEBBXXQBSA-N 1 0 282.790 3.224 10 0 CGAERO COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)c(F)c1 ZINC000037242545 173058577 /nfs/dbraw/zinc/05/85/77/173058577.db2.gz XHENFCAOKNGDRQ-RWSFTLGLSA-N 1 0 267.344 3.052 10 0 CGAERO C[C@@H]([NH2+]Cc1ccc(CSC(F)F)o1)[C@@H]1CCCO1 ZINC000037242391 173059167 /nfs/dbraw/zinc/05/91/67/173059167.db2.gz DWLAYBNDEBJEBY-SKDRFNHKSA-N 1 0 291.363 3.393 10 0 CGAERO C[C@@H]1CCCC[N@@H+]1Cc1ccc(N)c2cccnc12 ZINC000037272004 173083407 /nfs/dbraw/zinc/08/34/07/173083407.db2.gz UPKRGCNLFVZJJG-GFCCVEGCSA-N 1 0 255.365 3.191 10 0 CGAERO CC(C)(C)CC(=O)N(CCC[NH3+])C1CCCCCC1 ZINC000037299301 173104018 /nfs/dbraw/zinc/10/40/18/173104018.db2.gz WMEATSZQJRSZPZ-UHFFFAOYSA-N 1 0 268.445 3.323 10 0 CGAERO CCC[N@H+]([C@H](C)C(=O)c1ccc(OC)cc1)C1CC1 ZINC000037335369 173136232 /nfs/dbraw/zinc/13/62/32/173136232.db2.gz HRISSNDMXSTTNA-GFCCVEGCSA-N 1 0 261.365 3.141 10 0 CGAERO O[C@@H](c1cc(Cl)ccc1Cl)C1CC[NH2+]CC1 ZINC000037378771 173167023 /nfs/dbraw/zinc/16/70/23/173167023.db2.gz OFGCLEJGZFCTFR-GFCCVEGCSA-N 1 0 260.164 3.026 10 0 CGAERO CC(C)[NH2+]CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000037396185 173176934 /nfs/dbraw/zinc/17/69/34/173176934.db2.gz UIHGQSMPKPHCNT-UHFFFAOYSA-N 1 0 275.179 3.320 10 0 CGAERO COC(=O)CCC[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000037416608 173193963 /nfs/dbraw/zinc/19/39/63/173193963.db2.gz DPSNQOOOPJEHTK-GFCCVEGCSA-N 1 0 299.823 3.420 10 0 CGAERO CCCn1c2ccc(Br)cc2nc1C[C@H](C)[NH3+] ZINC000037441629 173211315 /nfs/dbraw/zinc/21/13/15/173211315.db2.gz BKPCFSMOAGNLRS-VIFPVBQESA-N 1 0 296.212 3.099 10 0 CGAERO CCn1c([C@@H]2CCC[NH2+]C2)nc2cccc(Cl)c21 ZINC000037443855 173211871 /nfs/dbraw/zinc/21/18/71/173211871.db2.gz WZNZHDZIOKDOCH-SNVBAGLBSA-N 1 0 263.772 3.177 10 0 CGAERO CCn1c([C@H]2CCC[NH2+]C2)nc2cccc(Cl)c21 ZINC000037443857 173212355 /nfs/dbraw/zinc/21/23/55/173212355.db2.gz WZNZHDZIOKDOCH-JTQLQIEISA-N 1 0 263.772 3.177 10 0 CGAERO CCC[NH2+][C@H](C[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000037535266 173254348 /nfs/dbraw/zinc/25/43/48/173254348.db2.gz WBOFCSMTSQTSMW-LSDHHAIUSA-N 1 0 251.345 3.436 10 0 CGAERO O[C@@H]1CCCCC[C@H]1[NH2+]CCSc1ccccc1 ZINC000037904297 173836196 /nfs/dbraw/zinc/83/61/96/173836196.db2.gz UFOGIEFNEQUDHK-HUUCEWRRSA-N 1 0 265.422 3.062 10 0 CGAERO CC(C)CCC[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC000037998514 173960495 /nfs/dbraw/zinc/96/04/95/173960495.db2.gz YKDRNCLQVHICHL-CQSZACIVSA-N 1 0 257.324 3.024 10 0 CGAERO Cc1noc(C[NH2+][C@@H](C)CC(C)(C)c2ccccc2)n1 ZINC000038034098 174032196 /nfs/dbraw/zinc/03/21/96/174032196.db2.gz KPMNFLPURSXCIA-LBPRGKRZSA-N 1 0 273.380 3.224 10 0 CGAERO c1ccc([C@H]([NH2+]C[C@@H]2CCCOC2)c2ccncc2)cc1 ZINC000038044700 174052580 /nfs/dbraw/zinc/05/25/80/174052580.db2.gz QVCMLCULNVZITJ-YJBOKZPZSA-N 1 0 282.387 3.187 10 0 CGAERO CC[C@H]([NH2+]C)c1cccc(-c2c(C)nn(C)c2C)c1 ZINC000038073205 174083380 /nfs/dbraw/zinc/08/33/80/174083380.db2.gz NIDYKIHMRZTPKZ-HNNXBMFYSA-N 1 0 257.381 3.374 10 0 CGAERO [NH3+]C[C@@H](c1c(F)cccc1Cl)N1CCCCCC1 ZINC000038827592 174155791 /nfs/dbraw/zinc/15/57/91/174155791.db2.gz BVNLCPRHIWBRIY-ZDUSSCGKSA-N 1 0 270.779 3.355 10 0 CGAERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000127443152 287288333 /nfs/dbraw/zinc/28/83/33/287288333.db2.gz PIWYGSPHKVYHFE-CPCISQLKSA-N 1 0 258.134 3.086 10 0 CGAERO CC[C@@H](C)n1c(C[NH2+]C)nc2cc(Cl)ccc21 ZINC000040408155 174254216 /nfs/dbraw/zinc/25/42/16/174254216.db2.gz IDRXRMNNPHINAO-SECBINFHSA-N 1 0 251.761 3.380 10 0 CGAERO CC[NH+](CC)CCn1c(C)nc2cc(Cl)ccc21 ZINC000040405502 174254274 /nfs/dbraw/zinc/25/42/74/174254274.db2.gz VCDKXCPHNHBPNI-UHFFFAOYSA-N 1 0 265.788 3.340 10 0 CGAERO C[NH2+]C[C@H](c1ccc(Br)cc1)C(C)C ZINC000041326403 174522689 /nfs/dbraw/zinc/52/26/89/174522689.db2.gz TXYBXEWVORBZGD-LBPRGKRZSA-N 1 0 256.187 3.408 10 0 CGAERO C[NH2+][C@@H](C)c1ccccc1N(CCOC)CC(C)C ZINC000042369608 174700160 /nfs/dbraw/zinc/70/01/60/174700160.db2.gz MBNLQHAQSWCMPO-AWEZNQCLSA-N 1 0 264.413 3.076 10 0 CGAERO CC[C@@H]([NH3+])[C@H](SCCC(=O)OC)c1ccc(C)cc1 ZINC000042943775 174919202 /nfs/dbraw/zinc/91/92/02/174919202.db2.gz FGZGUDISEVYXSM-UKRRQHHQSA-N 1 0 281.421 3.070 10 0 CGAERO C[C@H]([NH3+])[C@H](Sc1cnn(C)c1)c1cccc(Cl)c1 ZINC000043019762 174944724 /nfs/dbraw/zinc/94/47/24/174944724.db2.gz LBZVQBZYWYSLLL-ZANVPECISA-N 1 0 281.812 3.254 10 0 CGAERO CCOC(=O)CS[C@@H](c1ccccc1Cl)[C@H](C)[NH3+] ZINC000043089934 174964168 /nfs/dbraw/zinc/96/41/68/174964168.db2.gz HRDLFXWBHFHHKH-TVQRCGJNSA-N 1 0 287.812 3.025 10 0 CGAERO C[C@H]([NH3+])[C@@H](Oc1ccc(F)c(F)c1)c1cccs1 ZINC000043111594 174974527 /nfs/dbraw/zinc/97/45/27/174974527.db2.gz QIYJTQHVJXYLJZ-ISVAXAHUSA-N 1 0 269.316 3.494 10 0 CGAERO Cc1cc(Br)ccc1Nc1cc(N)cc[nH+]1 ZINC000043568563 175067279 /nfs/dbraw/zinc/06/72/79/175067279.db2.gz UTDUMYILWZBDJD-UHFFFAOYSA-N 1 0 278.153 3.478 10 0 CGAERO CCOc1ccccc1[C@@H](O)C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000044121972 175143422 /nfs/dbraw/zinc/14/34/22/175143422.db2.gz PRYGTHZYKAAVOD-DZKIICNBSA-N 1 0 277.408 3.382 10 0 CGAERO CC(C)[N@H+](CC1CC1)[C@H](CN)c1ccc(Cl)cc1 ZINC000044415120 175173071 /nfs/dbraw/zinc/17/30/71/175173071.db2.gz YENWELGNUTZHSF-OAHLLOKOSA-N 1 0 266.816 3.460 10 0 CGAERO CC[NH2+]Cc1sc(-c2ccccc2OC)nc1C ZINC000045205711 175327746 /nfs/dbraw/zinc/32/77/46/175327746.db2.gz SGFIBYWIWIPDBX-UHFFFAOYSA-N 1 0 262.378 3.237 10 0 CGAERO Cn1nc(C[NH2+]C2CCCCCC2)c(-c2ccccc2)n1 ZINC000045944777 175387266 /nfs/dbraw/zinc/38/72/66/175387266.db2.gz WHNFNIIANRFAGA-UHFFFAOYSA-N 1 0 284.407 3.295 10 0 CGAERO C[NH2+]C[C@H]1CCCN1CCOc1ccc(C(C)C)c(C)c1 ZINC000128382315 287309501 /nfs/dbraw/zinc/30/95/01/287309501.db2.gz PYCDPFSHQHQAGJ-MRXNPFEDSA-N 1 0 290.451 3.181 10 0 CGAERO COCC[NH2+]CCCc1cccc(Cl)c1Cl ZINC000070743638 176004536 /nfs/dbraw/zinc/00/45/36/176004536.db2.gz DLGVGBLZHVNDAX-UHFFFAOYSA-N 1 0 262.180 3.162 10 0 CGAERO CC(C)N(Cc1ccc(F)cc1C[NH3+])CC(F)(F)F ZINC000071263544 176096396 /nfs/dbraw/zinc/09/63/96/176096396.db2.gz YCJFORQSJLMQQW-UHFFFAOYSA-N 1 0 278.293 3.057 10 0 CGAERO C[C@H](c1ccc(C(F)(F)F)cc1)N(C)[C@@H]1CC[NH2+]C1 ZINC000071309369 176116893 /nfs/dbraw/zinc/11/68/93/176116893.db2.gz BHYMPEUCQRAOCA-ZWNOBZJWSA-N 1 0 272.314 3.060 10 0 CGAERO CCCC[C@@H](CC)CSc1nnc(C[NH3+])n1CC ZINC000071375066 176140489 /nfs/dbraw/zinc/14/04/89/176140489.db2.gz HYMYBHACWHPLDV-LLVKDONJSA-N 1 0 270.446 3.065 10 0 CGAERO C[NH2+]Cc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1 ZINC000071398582 176151845 /nfs/dbraw/zinc/15/18/45/176151845.db2.gz ICIBDABPBPCAGO-UHFFFAOYSA-N 1 0 287.203 3.366 10 0 CGAERO CC[C@@H]([NH3+])c1c[nH]c2cc(Br)ccc21 ZINC000071488032 176189905 /nfs/dbraw/zinc/18/99/05/176189905.db2.gz KYEOSJZCQKCBFG-SNVBAGLBSA-N 1 0 253.143 3.340 10 0 CGAERO COc1cc([C@H](CC[NH3+])C(C)C)c(OC)cc1C ZINC000071573697 176200153 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CC(C)[C@@H]1CN(C)CC[N@@H+]1C[C@H]1CCCCC1(F)F ZINC000335112213 280013227 /nfs/dbraw/zinc/01/32/27/280013227.db2.gz GCXJRIKGXJVPGC-KGLIPLIRSA-N 1 0 274.399 3.084 10 0 CGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)CC2 ZINC000153795920 281122831 /nfs/dbraw/zinc/12/28/31/281122831.db2.gz ZSHGCEDPRXOQBL-DJIMGWMZSA-N 1 0 259.393 3.123 10 0 CGAERO Cc1cccc(C)c1NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000156646610 281211306 /nfs/dbraw/zinc/21/13/06/281211306.db2.gz VSIUMCUMVRYTCT-UHFFFAOYSA-N 1 0 266.344 3.159 10 0 CGAERO C[C@H]([NH2+][C@H]1CCC(C)(C)C[C@H]1C)c1nnc2n1CCCC2 ZINC000131179603 290041920 /nfs/dbraw/zinc/04/19/20/290041920.db2.gz VRPYKTKJXQXVOX-RDBSUJKOSA-N 1 0 290.455 3.480 10 0 CGAERO C[N@@H+]1CCN(C[C@@H]2CCCC2(F)F)C2(CCCCC2)C1 ZINC000336193280 290045241 /nfs/dbraw/zinc/04/52/41/290045241.db2.gz KLFPKEUFEXRNMC-AWEZNQCLSA-N 1 0 286.410 3.372 10 0 CGAERO COc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000248742119 295238073 /nfs/dbraw/zinc/23/80/73/295238073.db2.gz RFZPCPOFTNWBCM-WBQNTZJQSA-N 1 0 287.403 3.303 10 0 CGAERO C[C@H](CS(C)(=O)=O)[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000081899443 298872108 /nfs/dbraw/zinc/87/21/08/298872108.db2.gz WKLOHTUOTOUAPI-CHWSQXEVSA-N 1 0 297.464 3.068 10 0 CGAERO Cc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2[NH3+])cc1 ZINC000204118458 301744287 /nfs/dbraw/zinc/74/42/87/301744287.db2.gz WKBKMGPBQVZDMI-GJZGRUSLSA-N 1 0 290.407 3.047 10 0 CGAERO Cc1cnn(CC[NH2+][C@@H]2C[C@@H](C)c3c2cccc3C)c1 ZINC000154300750 321739156 /nfs/dbraw/zinc/73/91/56/321739156.db2.gz NTWMJFIFZYNLQU-GDBMZVCRSA-N 1 0 269.392 3.338 10 0 CGAERO Cc1cccc([C@H](C)[NH2+][C@H](C)C(=O)NCCC(C)C)c1 ZINC000157322340 321793960 /nfs/dbraw/zinc/79/39/60/321793960.db2.gz WIQFHLLLHGVYKM-LSDHHAIUSA-N 1 0 276.424 3.196 10 0 CGAERO CCC[C@@H](C(=O)N[C@H](C)CCC(C)(C)C)[NH+](C)C ZINC000161964151 321876127 /nfs/dbraw/zinc/87/61/27/321876127.db2.gz NHRNHHODEQBLBV-OLZOCXBDSA-N 1 0 256.434 3.048 10 0 CGAERO c1ccc2oc(N3CC[NH+]([C@@H]4C=CCCC4)CC3)nc2c1 ZINC000171746042 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UMBAYAXGZWQPGX-QLFBSQMISA-N 1 0 273.486 3.152 10 0 CGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)C1CCCCC1 ZINC000177544832 529067388 /nfs/dbraw/zinc/06/73/88/529067388.db2.gz ZVNALMJRIQECEJ-GOEBONIOSA-N 1 0 295.471 3.081 10 0 CGAERO CC1(C)Cc2cc(C[NH2+][C@@H]3C[C@@H]4OCCC[C@@H]34)ccc2O1 ZINC000249983801 534946567 /nfs/dbraw/zinc/94/65/67/534946567.db2.gz YWRDVPCESIQYIF-UXLLHSPISA-N 1 0 287.403 3.057 10 0 CGAERO CCCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000094954991 535071926 /nfs/dbraw/zinc/07/19/26/535071926.db2.gz GTCKZGKOUQXEDH-KBPBESRZSA-N 1 0 294.414 3.480 10 0 CGAERO CC[C@H]1CN(c2ccc(F)c(Cl)c2)[C@H](C)C[NH2+]1 ZINC000083418267 536161035 /nfs/dbraw/zinc/16/10/35/536161035.db2.gz DCFCJYRFLYTHDZ-ZJUUUORDSA-N 1 0 256.752 3.056 10 0 CGAERO Brc1ccc([C@@H]2[NH2+]CCc3ccsc32)o1 ZINC000712591471 567851563 /nfs/dbraw/zinc/85/15/63/567851563.db2.gz YOYGTHPUXXMJCN-JTQLQIEISA-N 1 0 284.178 3.339 10 0 CGAERO CC(C)(C)[C@@H](O)C[NH2+]Cc1cscc1Br ZINC000286624060 617670626 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CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)C(C)C ZINC000309870747 619014353 /nfs/dbraw/zinc/01/43/53/619014353.db2.gz QPBGHEWUSUAOEQ-STQMWFEESA-N 1 0 272.433 3.266 10 0 CGAERO CC(C)c1ccc([C@H](C)NC(=O)[C@@H]([NH3+])CC2CC2)cc1 ZINC000312868893 619153875 /nfs/dbraw/zinc/15/38/75/619153875.db2.gz ZOMKTJRXMSEIKT-LRDDRELGSA-N 1 0 274.408 3.115 10 0 CGAERO CCCCCC(C)(C)CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000094988599 619267948 /nfs/dbraw/zinc/26/79/48/619267948.db2.gz AARHRYRLISCTFL-KBPBESRZSA-N 1 0 268.445 3.084 10 0 CGAERO CCC[C@@H]([NH3+])C(=O)N1CCc2cc(C(C)(C)C)ccc21 ZINC000236911799 619285953 /nfs/dbraw/zinc/28/59/53/619285953.db2.gz ONZQVLZNYIZESJ-CQSZACIVSA-N 1 0 274.408 3.001 10 0 CGAERO [NH3+]CCCCCCNc1cccc(C(F)(F)F)n1 ZINC000236165655 620351879 /nfs/dbraw/zinc/35/18/79/620351879.db2.gz RRYSEGGIJBKFBI-UHFFFAOYSA-N 1 0 261.291 3.031 10 0 CGAERO [NH3+][C@@H](CCO)c1c2ccccc2cc2ccccc21 ZINC000095638727 620526130 /nfs/dbraw/zinc/52/61/30/620526130.db2.gz STAIPBUYQUOTQH-INIZCTEOSA-N 1 0 251.329 3.375 10 0 CGAERO CC(C)[C@H](C)[N@H+](C)C[C@H](O)c1cc2ccccc2o1 ZINC000044159635 622574118 /nfs/dbraw/zinc/57/41/18/622574118.db2.gz FSBVGTICQUBAQH-JSGCOSHPSA-N 1 0 261.365 3.443 10 0 CGAERO CC(C)[C@@H](C)[N@H+](C)C[C@H](O)c1cc2ccccc2o1 ZINC000044159633 622574561 /nfs/dbraw/zinc/57/45/61/622574561.db2.gz FSBVGTICQUBAQH-OCCSQVGLSA-N 1 0 261.365 3.443 10 0 CGAERO C[C@@H]1C[N@H+](C/C=C\c2ccc(F)cc2)CC[C@@]1(O)C1CC1 ZINC000229850813 623169090 /nfs/dbraw/zinc/16/90/90/623169090.db2.gz LOTFCMFLLMKMFL-BUGOJEBSSA-N 1 0 289.394 3.322 10 0 CGAERO COC1CC([NH2+]Cc2ccc(CSC(F)F)o2)C1 ZINC000230688813 623265216 /nfs/dbraw/zinc/26/52/16/623265216.db2.gz BOIQWDJBLIQDQJ-UHFFFAOYSA-N 1 0 277.336 3.002 10 0 CGAERO CC1CCC(C[NH2+]C[C@](C)(O)c2ccccc2)CC1 ZINC000063145397 623302252 /nfs/dbraw/zinc/30/22/52/623302252.db2.gz WFLMDMJBUFDHLG-DQPZFDDXSA-N 1 0 261.409 3.310 10 0 CGAERO CC(C)c1nn(C)cc1-c1ccc2c(c1)CC[C@@H]2[NH3+] ZINC000232764079 623559722 /nfs/dbraw/zinc/55/97/22/623559722.db2.gz ANDKSLIQNUIBDI-HNNXBMFYSA-N 1 0 255.365 3.157 10 0 CGAERO C/C(=C\c1ccc(C)cc1)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000181099121 624808459 /nfs/dbraw/zinc/80/84/59/624808459.db2.gz OIQNRJOOPKMYCQ-IYICPGQYSA-N 1 0 298.430 3.095 10 0 CGAERO CCC[N@@H+]1CCC[C@H](c2ccc(OC)cc2F)C1 ZINC000757571920 630509724 /nfs/dbraw/zinc/50/97/24/630509724.db2.gz NKYYKTGADVCWSF-LBPRGKRZSA-N 1 0 251.345 3.424 10 0 CGAERO C[C@@H]1CCC[C@]2(C[NH2+]C[C@@H]2C(=O)OC(C)(C)C)CC1 ZINC000757183460 630587728 /nfs/dbraw/zinc/58/77/28/630587728.db2.gz CLHBLDFZRNXOJW-XJKCOSOUSA-N 1 0 267.413 3.134 10 0 CGAERO Cc1cc(OC(F)(F)F)ccc1[C@H]1CCC[NH2+]C1 ZINC000757212217 630589822 /nfs/dbraw/zinc/58/98/22/630589822.db2.gz MSDKZUZTYHMITJ-JTQLQIEISA-N 1 0 259.271 3.361 10 0 CGAERO COc1ccc([C@@H]2CCC[N@@H+](C(C)C)C2)cc1F ZINC000757569885 630621281 /nfs/dbraw/zinc/62/12/81/630621281.db2.gz AFSXIEVTHFBMOR-CYBMUJFWSA-N 1 0 251.345 3.422 10 0 CGAERO [NH3+][C@H]1CC[C@H](c2nc(Cc3cccc(Cl)c3F)no2)C1 ZINC000213796111 636496393 /nfs/dbraw/zinc/49/63/93/636496393.db2.gz KOSQFUNNMABQSF-UWVGGRQHSA-N 1 0 295.745 3.048 10 0 CGAERO O[C@@H](C[NH2+]Cc1ccnc2ccccc12)c1ccsc1 ZINC000219100264 637501168 /nfs/dbraw/zinc/50/11/68/637501168.db2.gz ZMHOXYBLSSNXKT-INIZCTEOSA-N 1 0 284.384 3.120 10 0 CGAERO Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)s1 ZINC000222088116 637773954 /nfs/dbraw/zinc/77/39/54/637773954.db2.gz TUJSKUHBXAHYAP-LLVKDONJSA-N 1 0 298.452 3.449 10 0 CGAERO Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000222090847 637774541 /nfs/dbraw/zinc/77/45/41/637774541.db2.gz ADICDCUUSJELPA-CQSZACIVSA-N 1 0 292.423 3.388 10 0 CGAERO CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000222443449 637797743 /nfs/dbraw/zinc/79/77/43/637797743.db2.gz IWQPQOGINDYZRV-WISYIIOYSA-N 1 0 265.319 3.265 10 0 CGAERO CC[C@@H]1CCC[C@H]1[NH2+]CC[C@H](C)NC(=O)OC(C)(C)C ZINC000300203574 637826880 /nfs/dbraw/zinc/82/68/80/637826880.db2.gz JBHPPLKAGUKYNV-BFHYXJOUSA-N 1 0 284.444 3.458 10 0 CGAERO COc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C[NH3+])cc1Cl ZINC000089385695 640643158 /nfs/dbraw/zinc/64/31/58/640643158.db2.gz MGLGKRKGUSBANK-PWSUYJOCSA-N 1 0 296.798 3.052 10 0 CGAERO Cc1cccc(NC(=O)[C@H]2CCCC[C@@H]2C[NH3+])c1C ZINC000089386732 640643563 /nfs/dbraw/zinc/64/35/63/640643563.db2.gz JOAXYPVROVMHLQ-KGLIPLIRSA-N 1 0 260.381 3.007 10 0 CGAERO COC[C@@H](C)C1CC[NH+](C/C=C\c2ccco2)CC1 ZINC000096860937 640841618 /nfs/dbraw/zinc/84/16/18/640841618.db2.gz SYENBQDHXKFSOZ-PKXJPQMGSA-N 1 0 263.381 3.287 10 0 CGAERO CC[C@H]([NH3+])[C@H](C)Cc1ccc(Br)cc1 ZINC000082443170 178021659 /nfs/dbraw/zinc/02/16/59/178021659.db2.gz RDIZDBCFJITNHK-SKDRFNHKSA-N 1 0 256.187 3.365 10 0 CGAERO CCCc1nc(Cc2ccc(OC)cc2)sc1C[NH2+]C ZINC000082426972 178002249 /nfs/dbraw/zinc/00/22/49/178002249.db2.gz YDPTYGRZPDOQGW-UHFFFAOYSA-N 1 0 290.432 3.414 10 0 CGAERO CC[NH+](CC)CCNc1cc(Cl)nc(C(C)(C)C)n1 ZINC000082509694 178075939 /nfs/dbraw/zinc/07/59/39/178075939.db2.gz WBCGRBZELWZVRP-UHFFFAOYSA-N 1 0 284.835 3.181 10 0 CGAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1cc(Br)ncc1F ZINC000273831562 192326200 /nfs/dbraw/zinc/32/62/00/192326200.db2.gz GATGMKDZOQQSSB-BYULHYEWSA-N 1 0 273.149 3.042 10 0 CGAERO [NH3+]CCc1ccc(Br)c2ccccc12 ZINC000082726292 178242277 /nfs/dbraw/zinc/24/22/77/178242277.db2.gz YKIIIGKZUJFNJV-UHFFFAOYSA-N 1 0 250.139 3.104 10 0 CGAERO CC1(C)[C@H](c2cccc(Br)c2)[C@@H]1C[NH3+] ZINC000096958902 185142159 /nfs/dbraw/zinc/14/21/59/185142159.db2.gz FKOMLLSMJVUGKP-WDEREUQCSA-N 1 0 254.171 3.147 10 0 CGAERO Nc1cccc([C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000096959623 185142575 /nfs/dbraw/zinc/14/25/75/185142575.db2.gz QQKWFXXVULDFSG-INIZCTEOSA-N 1 0 252.361 3.258 10 0 CGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc2cccnc21 ZINC000175033861 529407845 /nfs/dbraw/zinc/40/78/45/529407845.db2.gz SCPGKZBOOSOCKW-QZTJIDSGSA-N 1 0 295.430 3.293 10 0 CGAERO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000294986555 199285688 /nfs/dbraw/zinc/28/56/88/199285688.db2.gz KFXGJBJIBIFACZ-GXFFZTMASA-N 1 0 273.298 3.051 10 0 CGAERO CCO[C@@H](c1ccccc1)C1=[NH+]C[C@](C)(CC)CN1 ZINC000005924009 344862913 /nfs/dbraw/zinc/86/29/13/344862913.db2.gz BYMORBGQWDQSNO-AWEZNQCLSA-N 1 0 260.381 3.182 10 0 CGAERO Fc1ccc(C[NH2+]C[C@@H]2CCc3ccccc3O2)cc1 ZINC000013775969 344881009 /nfs/dbraw/zinc/88/10/09/344881009.db2.gz BUISWLRGGNVLQY-INIZCTEOSA-N 1 0 271.335 3.309 10 0 CGAERO CC[C@H](CCC[NH3+])Nc1cc(OC)cc2c(C)ccnc12 ZINC000026280551 344906235 /nfs/dbraw/zinc/90/62/35/344906235.db2.gz OUHUKGQWCDEZDN-CYBMUJFWSA-N 1 0 287.407 3.481 10 0 CGAERO CC[C@H](NC(=O)C1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000037628003 344952114 /nfs/dbraw/zinc/95/21/14/344952114.db2.gz GPJLMXMRXWQUNH-ZALBZXLWSA-N 1 0 294.826 3.425 10 0 CGAERO C[C@@H](c1ccc2c(c1)Cc1ccccc1-2)N1CC[NH2+]CC1 ZINC000038086614 344954791 /nfs/dbraw/zinc/95/47/91/344954791.db2.gz HFVMQXSPZWWSOL-AWEZNQCLSA-N 1 0 278.399 3.224 10 0 CGAERO [NH3+][C@H](Cc1cccs1)c1ccc(Br)o1 ZINC000038128642 344954824 /nfs/dbraw/zinc/95/48/24/344954824.db2.gz JVAGSMVGXDDREP-MRVPVSSYSA-N 1 0 272.167 3.346 10 0 CGAERO CCOC(=O)[C@H](C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000038527047 344955731 /nfs/dbraw/zinc/95/57/31/344955731.db2.gz XBLUQMFODZUKEJ-IJEWVQPXSA-N 1 0 275.392 3.269 10 0 CGAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2csc3ccccc23)C1 ZINC000049592692 345074405 /nfs/dbraw/zinc/07/44/05/345074405.db2.gz IUIXLQITIHDJOW-CHWSQXEVSA-N 1 0 261.390 3.294 10 0 CGAERO [NH2+]=C(Nc1ccccc1I)C1CC1 ZINC000062988082 345242587 /nfs/dbraw/zinc/24/25/87/345242587.db2.gz HRVWRIJGSPTHLV-UHFFFAOYSA-N 1 0 286.116 3.090 10 0 CGAERO c1n[nH]cc1[C@@H]1CCCC[N@H+]1CCCOc1ccccc1 ZINC000114483930 232182757 /nfs/dbraw/zinc/18/27/57/232182757.db2.gz UEDFANFKOQSTAP-KRWDZBQOSA-N 1 0 285.391 3.406 10 0 CGAERO C[C@H]1C[C@@H](c2ccc(Br)cc2F)C[NH2+]1 ZINC000070586893 345392162 /nfs/dbraw/zinc/39/21/62/345392162.db2.gz TVYNQBPJGJBNRF-JGVFFNPUSA-N 1 0 258.134 3.054 10 0 CGAERO C[C@@H]1C[C@@H](c2cc(Br)ccc2F)C[NH2+]1 ZINC000070586572 345392187 /nfs/dbraw/zinc/39/21/87/345392187.db2.gz DYSRQQIRQDGCEU-HTQZYQBOSA-N 1 0 258.134 3.054 10 0 CGAERO C[C@@H]1CSC(NCc2cc(Br)cs2)=[NH+]1 ZINC000070600746 345392734 /nfs/dbraw/zinc/39/27/34/345392734.db2.gz WFNBLWFQSUOGNS-ZCFIWIBFSA-N 1 0 291.239 3.092 10 0 CGAERO CCCOc1ccc(Cl)cc1NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079516159 345644447 /nfs/dbraw/zinc/64/44/47/345644447.db2.gz DXVAJSXXONMLNN-OAHLLOKOSA-N 1 0 296.798 3.209 10 0 CGAERO CC[NH+](CC)CCSCC(=O)c1ccc(F)cc1 ZINC000088734359 345764580 /nfs/dbraw/zinc/76/45/80/345764580.db2.gz NJCLQPOKONTKDI-UHFFFAOYSA-N 1 0 269.385 3.083 10 0 CGAERO c1ccc([C@H]2CC[NH2+]CCN2c2ccccc2)cc1 ZINC000117609767 345984799 /nfs/dbraw/zinc/98/47/99/345984799.db2.gz QAPVSMOEYHFZFI-QGZVFWFLSA-N 1 0 252.361 3.228 10 0 CGAERO FC(F)(F)[C@@]1(c2cccc(Br)c2)CC[NH2+]C1 ZINC000118239863 345987655 /nfs/dbraw/zinc/98/76/55/345987655.db2.gz PNBDYHQCHLBUHI-JTQLQIEISA-N 1 0 294.114 3.243 10 0 CGAERO CCc1cc2c(cc1[C@@H](C)[NH3+])N(C(C)=O)CCC2(C)C ZINC000140541070 346105624 /nfs/dbraw/zinc/10/56/24/346105624.db2.gz PBJRMQNIAFBUEB-LLVKDONJSA-N 1 0 274.408 3.303 10 0 CGAERO Cc1cc(C)cc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000177091856 232355383 /nfs/dbraw/zinc/35/53/83/232355383.db2.gz IXTSVCXLUHBHNF-HOCLYGCPSA-N 1 0 287.407 3.004 10 0 CGAERO O[C@H]1C[C@@H](Cc2ccccc2)C[N@H+](Cc2ccccc2)C1 ZINC000147297749 346125423 /nfs/dbraw/zinc/12/54/23/346125423.db2.gz PKBSNRGRYVZYEC-MOPGFXCFSA-N 1 0 281.399 3.112 10 0 CGAERO CCCC(=O)Nc1cc(C2CC[NH2+]CC2)ccc1F ZINC000148812729 346129065 /nfs/dbraw/zinc/12/90/65/346129065.db2.gz ODYLHMGXYMWXIX-UHFFFAOYSA-N 1 0 264.344 3.031 10 0 CGAERO O=C(OCc1ccccc1)[C@H](c1ccccc1)N1CCC1 ZINC000149816615 346131879 /nfs/dbraw/zinc/13/18/79/346131879.db2.gz BXFFPCGOFUJQRM-KRWDZBQOSA-N 1 0 281.355 3.177 10 0 CGAERO C[C@H]1Cc2c(Cl)cc(Br)cc2C[NH2+]1 ZINC000161103950 346174439 /nfs/dbraw/zinc/17/44/39/346174439.db2.gz CFZGNNYYRSOLHS-LURJTMIESA-N 1 0 260.562 3.137 10 0 CGAERO CC(C)(C)[C@H]([NH3+])c1ccc(I)cc1 ZINC000162847130 346180078 /nfs/dbraw/zinc/18/00/78/346180078.db2.gz NFCKQLLGCCDTAY-SNVBAGLBSA-N 1 0 289.160 3.337 10 0 CGAERO [NH3+][C@@H]1CCCN(Cc2ccccc2)c2ccccc21 ZINC000163055580 346180507 /nfs/dbraw/zinc/18/05/07/346180507.db2.gz LFCBYVILTQGPLO-MRXNPFEDSA-N 1 0 252.361 3.487 10 0 CGAERO [NH3+][C@H]1CCCN(Cc2ccccc2)c2ccccc21 ZINC000163055448 346180629 /nfs/dbraw/zinc/18/06/29/346180629.db2.gz LFCBYVILTQGPLO-INIZCTEOSA-N 1 0 252.361 3.487 10 0 CGAERO [NH3+][C@@H](c1ccc(F)cc1)[C@H](O)c1cccc2cccnc21 ZINC000165739207 346184934 /nfs/dbraw/zinc/18/49/34/346184934.db2.gz UFJXVEJPMIGNTM-DOTOQJQBSA-N 1 0 282.318 3.107 10 0 CGAERO CC(C)(C)c1cccc(C2([NH3+])CCC(CO)CC2)c1 ZINC000166422219 346186383 /nfs/dbraw/zinc/18/63/83/346186383.db2.gz ICNUMZLBBFPXGY-UHFFFAOYSA-N 1 0 261.409 3.321 10 0 CGAERO O[C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(Cl)c1F ZINC000166766634 346187722 /nfs/dbraw/zinc/18/77/22/346187722.db2.gz FVXXUXPNSOXANC-CHWSQXEVSA-N 1 0 271.763 3.262 10 0 CGAERO Cc1cccc(-c2cc(C)cc3c2O[C@@H](C[NH3+])C3)c1 ZINC000167294233 346188342 /nfs/dbraw/zinc/18/83/42/346188342.db2.gz FYSGVDMJFJDGKE-OAHLLOKOSA-N 1 0 253.345 3.233 10 0 CGAERO Cc1cccc(CO[C@@H]2C[NH2+]CC[C@H]2c2ccoc2)c1 ZINC000169105979 346191913 /nfs/dbraw/zinc/19/19/13/346191913.db2.gz HNCBMNIJIFASAN-DLBZAZTESA-N 1 0 271.360 3.250 10 0 CGAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000219322130 346294729 /nfs/dbraw/zinc/29/47/29/346294729.db2.gz YXPKBVPEFXWNPT-STQMWFEESA-N 1 0 296.798 3.349 10 0 CGAERO C[C@H]([NH3+])COc1cc(Cl)c(Cl)cc1Cl ZINC000222892918 346299981 /nfs/dbraw/zinc/29/99/81/346299981.db2.gz DLIRTZKDGGTINK-YFKPBYRVSA-N 1 0 254.544 3.373 10 0 CGAERO C[NH2+]C[C@H]1C[C@@H]1c1cc(Br)c(Cl)s1 ZINC000227955382 346311426 /nfs/dbraw/zinc/31/14/26/346311426.db2.gz VYOFFCSTLJFSIV-RITPCOANSA-N 1 0 280.618 3.487 10 0 CGAERO Cc1sc([C@H]2[NH2+]CCS2)cc1Br ZINC000227943195 346312095 /nfs/dbraw/zinc/31/20/95/346312095.db2.gz WSDWYYPLFUJLQK-QMMMGPOBSA-N 1 0 264.213 3.154 10 0 CGAERO C[C@@H]([NH3+])COc1cc(Cl)c(Br)cc1Cl ZINC000232319895 346325325 /nfs/dbraw/zinc/32/53/25/346325325.db2.gz ARHWTBYYHWKHCW-RXMQYKEDSA-N 1 0 298.995 3.482 10 0 CGAERO [NH3+][C@@H]1CCc2cc(Br)cc(Br)c21 ZINC000238635346 346350489 /nfs/dbraw/zinc/35/04/89/346350489.db2.gz KAPQYAHAPONXRJ-MRVPVSSYSA-N 1 0 290.986 3.158 10 0 CGAERO [NH3+]C1CC(=Cc2cc(Br)ccc2F)C1 ZINC000236276157 346339568 /nfs/dbraw/zinc/33/95/68/346339568.db2.gz ZXWYGROWLJBTHC-UHFFFAOYSA-N 1 0 256.118 3.093 10 0 CGAERO [NH3+][C@@H]1C[C@@H]1c1ccc(Br)c(Br)c1 ZINC000236305634 346339898 /nfs/dbraw/zinc/33/98/98/346339898.db2.gz KEVNOZAWJKCAHH-HZGVNTEJSA-N 1 0 290.986 3.026 10 0 CGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC/C=C\c1ccccc1 ZINC000255496846 346397136 /nfs/dbraw/zinc/39/71/36/346397136.db2.gz DTCCLVJISKGJST-LCNOEYSYSA-N 1 0 298.430 3.175 10 0 CGAERO C[NH2+][C@@H](c1ccoc1Br)C1=CCCC1 ZINC000300213675 346436225 /nfs/dbraw/zinc/43/62/25/346436225.db2.gz ACHJNAPBDKUBQZ-SNVBAGLBSA-N 1 0 256.143 3.413 10 0 CGAERO CC1(C)[C@H]([NH3+])[C@]1(C)c1cc(Br)cs1 ZINC000300964440 346439237 /nfs/dbraw/zinc/43/92/37/346439237.db2.gz IQDWUNZEIXKJKT-WPRPVWTQSA-N 1 0 260.200 3.135 10 0 CGAERO CC(C)(C)[C@@H](O)C[NH2+]CC(C)(C)c1cccs1 ZINC000302376137 346441446 /nfs/dbraw/zinc/44/14/46/346441446.db2.gz LLZWTBMPYSVIEC-NSHDSACASA-N 1 0 255.427 3.022 10 0 CGAERO Cc1sc([C@H]2[NH2+]CC2(C)C)cc1Br ZINC000306166862 346451335 /nfs/dbraw/zinc/45/13/35/346451335.db2.gz PYHWBHJYLSDJCW-SECBINFHSA-N 1 0 260.200 3.490 10 0 CGAERO C[C@@H]1C[C@@]2(CN1Cc1ccccc1)[NH2+]C(C)(C)CS2 ZINC000306357598 346453504 /nfs/dbraw/zinc/45/35/04/346453504.db2.gz XDFLJTFYAXJUHQ-CZUORRHYSA-N 1 0 276.449 3.092 10 0 CGAERO Cc1cccc(C)c1NC(=[NH2+])NCc1ccccc1 ZINC000307540987 346463598 /nfs/dbraw/zinc/46/35/98/346463598.db2.gz XCQABGRLNMEGMX-UHFFFAOYSA-N 1 0 253.349 3.440 10 0 CGAERO Cc1sc(Br)c(C[NH3+])c1[C@H]1C[C@H]1C ZINC000307635520 346464238 /nfs/dbraw/zinc/46/42/38/346464238.db2.gz RXGHGRKFLCAWJK-VDTYLAMSSA-N 1 0 260.200 3.401 10 0 CGAERO [NH3+][C@@H]1CCC[C@H]1Cc1ccsc1Br ZINC000307634408 346464353 /nfs/dbraw/zinc/46/43/53/346464353.db2.gz PQNMGSXETKOYMA-IONNQARKSA-N 1 0 260.200 3.181 10 0 CGAERO C[NH2+][C@@H](C)c1c(F)ccc(F)c1Br ZINC000403301398 346595849 /nfs/dbraw/zinc/59/58/49/346595849.db2.gz BKFCHOZQFDQIFC-YFKPBYRVSA-N 1 0 250.086 3.008 10 0 CGAERO C[NH2+]C[C@H]1[C@H](c2ccc(Br)cc2)C1(F)F ZINC000409431519 346605151 /nfs/dbraw/zinc/60/51/51/346605151.db2.gz KIPZLUCINIPOFA-UWVGGRQHSA-N 1 0 276.124 3.017 10 0 CGAERO c1cc([C@@H](C2CCCCC2)N2CC[NH2+]CC2)cs1 ZINC000409441779 346606379 /nfs/dbraw/zinc/60/63/79/346606379.db2.gz QSNRGENXBCCICF-OAHLLOKOSA-N 1 0 264.438 3.275 10 0 CGAERO Cc1cc(C(F)(F)F)cc(C[NH3+])c1C(F)(F)F ZINC000514264530 346636350 /nfs/dbraw/zinc/63/63/50/346636350.db2.gz HNGINXOSBFXMOS-UHFFFAOYSA-N 1 0 257.177 3.491 10 0 CGAERO COCCOc1cc(C[C@@H]([NH3+])CC(C)C)ccc1Cl ZINC000584595084 346686917 /nfs/dbraw/zinc/68/69/17/346686917.db2.gz ZPMNHXFAPUNPOC-ZDUSSCGKSA-N 1 0 285.815 3.281 10 0 CGAERO COc1cccc([C@]2(CC[NH+](C)C)CCCCC2=O)c1 ZINC000584601365 346689890 /nfs/dbraw/zinc/68/98/90/346689890.db2.gz JNDGRNUSEVYHNG-QGZVFWFLSA-N 1 0 275.392 3.028 10 0 CGAERO [NH3+]CCCCCC(=O)c1ccc(Br)cc1 ZINC000584617337 346694488 /nfs/dbraw/zinc/69/44/88/346694488.db2.gz PXWXQWGQOHODAL-UHFFFAOYSA-N 1 0 270.170 3.151 10 0 CGAERO CC[N@H+](CCCCCCO)[C@@H]1CCc2ccccc2C1 ZINC000584617250 346694502 /nfs/dbraw/zinc/69/45/02/346694502.db2.gz HFNQDBNMKBKHDI-GOSISDBHSA-N 1 0 275.436 3.419 10 0 CGAERO Nc1c2ccc([C@H]3CCC[NH2+]3)cc2nn1-c1ccccc1 ZINC000584626139 346697337 /nfs/dbraw/zinc/69/73/37/346697337.db2.gz HKLPIUAWCLTQON-OAHLLOKOSA-N 1 0 278.359 3.032 10 0 CGAERO Cc1ccc(-c2cccc3c2O[C@H](CC[NH3+])C3)cc1 ZINC000584624891 346697506 /nfs/dbraw/zinc/69/75/06/346697506.db2.gz JZHIJZKJVAGYKK-OAHLLOKOSA-N 1 0 253.345 3.314 10 0 CGAERO CC[NH2+][C@@H](c1cc(F)cc(F)c1)c1cccc(C)n1 ZINC000104161593 185914302 /nfs/dbraw/zinc/91/43/02/185914302.db2.gz OUOONVFZDHLRKS-HNNXBMFYSA-N 1 0 262.303 3.367 10 0 CGAERO CCCc1c(Cl)ncnc1N[C@H](C)C[NH+](CC)CC ZINC000104207104 185930923 /nfs/dbraw/zinc/93/09/23/185930923.db2.gz NSSZYWLPIPZKDQ-LLVKDONJSA-N 1 0 284.835 3.225 10 0 CGAERO CC(C)(C)OC(=O)NCC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000616614045 348846306 /nfs/dbraw/zinc/84/63/06/348846306.db2.gz APEFYXOBWGDTAL-GFCCVEGCSA-N 1 0 270.417 3.022 10 0 CGAERO CCOC(=O)c1ccccc1[C@@H]1CCC[N@H+](CC)C1 ZINC000616617376 348847444 /nfs/dbraw/zinc/84/74/44/348847444.db2.gz USJGPTBJRFBGIP-CYBMUJFWSA-N 1 0 261.365 3.063 10 0 CGAERO CC(C)(C)[NH+]1CCC(c2ccccc2CCO)CC1 ZINC000616619600 348848425 /nfs/dbraw/zinc/84/84/25/348848425.db2.gz OQSHIOSYXSMVTK-UHFFFAOYSA-N 1 0 261.409 3.199 10 0 CGAERO CC(C)[N@@H+]1CCOCC[C@@H]1c1nccc2ccccc21 ZINC000616599793 348840999 /nfs/dbraw/zinc/84/09/99/348840999.db2.gz WTGRTUZCQMFCIG-MRXNPFEDSA-N 1 0 270.376 3.407 10 0 CGAERO CC(C)[N@@H+]1CCOCC[C@@H]1c1ccc2cnccc2c1 ZINC000616599226 348841598 /nfs/dbraw/zinc/84/15/98/348841598.db2.gz QJNGZOIPKVHZJN-QGZVFWFLSA-N 1 0 270.376 3.407 10 0 CGAERO CCOC(=O)c1cccc([C@H]2CCCC[N@H+](C)C2)c1 ZINC000616601868 348842579 /nfs/dbraw/zinc/84/25/79/348842579.db2.gz GHFCXHBMGBSPEX-HNNXBMFYSA-N 1 0 261.365 3.063 10 0 CGAERO CC[N@@H+]1CCC[C@@H](c2cccc3ccnnc32)CC1 ZINC000616610404 348844652 /nfs/dbraw/zinc/84/46/52/348844652.db2.gz INCPRVSYJBQQBE-CYBMUJFWSA-N 1 0 255.365 3.219 10 0 CGAERO CC(C)(C)[N@@H+]1CC[C@@H](c2cnnc3ccccc32)C1 ZINC000616623041 348848906 /nfs/dbraw/zinc/84/89/06/348848906.db2.gz BKXMNYQWFNYOAG-GFCCVEGCSA-N 1 0 255.365 3.218 10 0 CGAERO c1cn([C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000616627921 348851701 /nfs/dbraw/zinc/85/17/01/348851701.db2.gz HEHFPTMAXMHBFA-INIZCTEOSA-N 1 0 255.365 3.110 10 0 CGAERO OCc1cccc([C@H]2COCCC[N@@H+]2Cc2ccccc2)c1 ZINC000616648875 348855704 /nfs/dbraw/zinc/85/57/04/348855704.db2.gz XEIHTXVTJKFUFM-LJQANCHMSA-N 1 0 297.398 3.143 10 0 CGAERO CC(C)(C)OC(=O)Nc1cccc([C@@H]2COCCC[NH2+]2)c1 ZINC000616648665 348856072 /nfs/dbraw/zinc/85/60/72/348856072.db2.gz ULENMPJTLMEWBX-AWEZNQCLSA-N 1 0 292.379 3.085 10 0 CGAERO CC(C)[N@@H+]1CCCO[C@@H](c2cc3ccccc3cn2)C1 ZINC000616653852 348857514 /nfs/dbraw/zinc/85/75/14/348857514.db2.gz WOVBOTJLNYUDOV-QGZVFWFLSA-N 1 0 270.376 3.407 10 0 CGAERO CC(C)(C)[N@@H+]1CCCO[C@@H](c2cc3ccccc3nn2)C1 ZINC000616653682 348857780 /nfs/dbraw/zinc/85/77/80/348857780.db2.gz UKANBULDELUWOA-MRXNPFEDSA-N 1 0 285.391 3.192 10 0 CGAERO [NH3+]CCN1c2ccccc2CC[C@@H]1c1ccc(F)cc1 ZINC000616667885 348860398 /nfs/dbraw/zinc/86/03/98/348860398.db2.gz GASDUCCVCPCCHA-QGZVFWFLSA-N 1 0 270.351 3.278 10 0 CGAERO COc1ccccc1[C@H]1c2ccccc2CC[N@H+]1C ZINC000616677541 348863688 /nfs/dbraw/zinc/86/36/88/348863688.db2.gz SDWHZWHRSUAKNX-QGZVFWFLSA-N 1 0 253.345 3.273 10 0 CGAERO CCOC(=O)c1ccccc1[C@@H]1[NH2+]CCc2ccccc21 ZINC000616676248 348863769 /nfs/dbraw/zinc/86/37/69/348863769.db2.gz LZXUVEPVFMWAQN-QGZVFWFLSA-N 1 0 281.355 3.098 10 0 CGAERO CCCCC1CCC(C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000086467747 282645498 /nfs/dbraw/zinc/64/54/98/282645498.db2.gz HUQWTRBXQJUGLE-QVOMUQBLSA-N 1 0 280.456 3.192 10 0 CGAERO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](CC(C)C)C(=O)OC ZINC000104385630 185988278 /nfs/dbraw/zinc/98/82/78/185988278.db2.gz RTDDKNYUMFLDRH-MCIONIFRSA-N 1 0 255.402 3.133 10 0 CGAERO Cc1ncsc1CN(C)[C@@H](C)C[NH2+]C1CCCCC1 ZINC000104409751 185992095 /nfs/dbraw/zinc/99/20/95/185992095.db2.gz CRHIZAAMJMZOJL-LBPRGKRZSA-N 1 0 281.469 3.194 10 0 CGAERO COCCCSc1ccc(C(F)(F)F)cc1C(N)=[NH2+] ZINC000104435810 186001224 /nfs/dbraw/zinc/00/12/24/186001224.db2.gz SKSYNBCVSNWSSL-UHFFFAOYSA-N 1 0 292.326 3.118 10 0 CGAERO CCCC(C[NH3+])(CCC)C(=O)NCC1(C)CCCC1 ZINC000104438785 186002259 /nfs/dbraw/zinc/00/22/59/186002259.db2.gz HYXWZHIRDFNOOV-UHFFFAOYSA-N 1 0 268.445 3.228 10 0 CGAERO CCC[C@@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)C(CC)CC ZINC000104438451 186002406 /nfs/dbraw/zinc/00/24/06/186002406.db2.gz MGBXYUFWKGRCDS-AGIUHOORSA-N 1 0 256.434 3.094 10 0 CGAERO COCCCS[C@@H](c1ccc(C)cc1)[C@@H](C)[NH3+] ZINC000104443036 186003953 /nfs/dbraw/zinc/00/39/53/186003953.db2.gz WTUYCEIENBXANE-TZMCWYRMSA-N 1 0 253.411 3.153 10 0 CGAERO CC(=O)N[C@@H](C)c1cc(Cl)ccc1C1CC[NH2+]CC1 ZINC000090759561 180036911 /nfs/dbraw/zinc/03/69/11/180036911.db2.gz 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CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C1(CC(C)C)CCC1 ZINC000125549901 285270382 /nfs/dbraw/zinc/27/03/82/285270382.db2.gz QCUIWOMCRDVBPW-HNNXBMFYSA-N 1 0 280.456 3.146 10 0 CGAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)CC(=O)Nc1ccccc1 ZINC000281777967 195378441 /nfs/dbraw/zinc/37/84/41/195378441.db2.gz UEIAQVPERSJIMD-UMVBOHGHSA-N 1 0 260.381 3.182 10 0 CGAERO C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cccc(-n2ccnc2)c1 ZINC000189915716 130038207 /nfs/dbraw/zinc/03/82/07/130038207.db2.gz AFJHEPOEUBLEAM-RDJZCZTQSA-N 1 0 298.434 3.007 10 0 CGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)COCc2ccccc2)C1(C)C ZINC000390582664 542610816 /nfs/dbraw/zinc/61/08/16/542610816.db2.gz JSRPFEVROCMPOT-USXIJHARSA-N 1 0 291.435 3.385 10 0 CGAERO C[C@@H]1C[N@H+](C[C@@H]2CCC[C@@H](O)C2)CCc2ccccc21 ZINC000404721423 542625431 /nfs/dbraw/zinc/62/54/31/542625431.db2.gz DYXBOFVOVJNWJM-BFYDXBDKSA-N 1 0 273.420 3.199 10 0 CGAERO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@@H]1CCCO1)CCS2 ZINC000191494574 130244689 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ZINC000253092509 131140023 /nfs/dbraw/zinc/14/00/23/131140023.db2.gz LAICJHDSYGQDNB-BRWVUGGUSA-N 1 0 277.383 3.341 10 0 CGAERO O[C@@H]1CCCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1cccc(F)c1 ZINC000253092522 131140323 /nfs/dbraw/zinc/14/03/23/131140323.db2.gz LBEFYZIQDLDNOP-BRWVUGGUSA-N 1 0 277.383 3.341 10 0 CGAERO CC(C)c1nnc(C[N@@H+]2C[C@H](c3ccccc3)C[C@H]2C)n1C ZINC000115551773 392390548 /nfs/dbraw/zinc/39/05/48/392390548.db2.gz HSXPAMGFPYMLID-GDBMZVCRSA-N 1 0 298.434 3.317 10 0 CGAERO CC[C@H](C)[C@@H](C[NH2+][C@H](C)c1c(C)nn(CC)c1C)OC ZINC000362976042 392423785 /nfs/dbraw/zinc/42/37/85/392423785.db2.gz IXMIPQLUDYXZMW-YWPYICTPSA-N 1 0 281.444 3.232 10 0 CGAERO C[C@@H]1CC[C@H]([NH2+]C[C@@H]2[C@H]3COC[C@H]32)c2ccccc21 ZINC000367684941 392479832 /nfs/dbraw/zinc/47/98/32/392479832.db2.gz GJSPYADLXREWTO-IDAWXYBZSA-N 1 0 257.377 3.107 10 0 CGAERO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1cnc(Cl)s1 ZINC000371924022 392568593 /nfs/dbraw/zinc/56/85/93/392568593.db2.gz WXVFRZMLHURWGO-NWDGAFQWSA-N 1 0 299.871 3.245 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MXRYYHQWFGHJKT-CQSZACIVSA-N 1 0 276.428 3.188 10 0 CGAERO Cc1cnc([C@H](C)[NH2+][C@H](C)Cc2ccccc2F)o1 ZINC000220868227 393005058 /nfs/dbraw/zinc/00/50/58/393005058.db2.gz ALRRTIZIGPXTJR-PWSUYJOCSA-N 1 0 262.328 3.404 10 0 CGAERO Cc1csc2c1ncnc2N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000248657964 393092220 /nfs/dbraw/zinc/09/22/20/393092220.db2.gz AYDVBOFOZGPMTD-ZYHUDNBSSA-N 1 0 290.436 3.140 10 0 CGAERO O=C1O[C@@H](C[N@@H+]2CCC[C@H]2Cc2ccccc2)CC12CCC2 ZINC000248880687 393097686 /nfs/dbraw/zinc/09/76/86/393097686.db2.gz PDFKLFYYNWCFAK-DLBZAZTESA-N 1 0 299.414 3.179 10 0 CGAERO Cc1ccc([C@@H](C)[NH2+]Cc2cnc3ccccn23)o1 ZINC000237363007 393036223 /nfs/dbraw/zinc/03/62/23/393036223.db2.gz BJDLOAKNELPFCI-GFCCVEGCSA-N 1 0 255.321 3.087 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc2c(c1)OCO2 ZINC000247123016 393071315 /nfs/dbraw/zinc/07/13/15/393071315.db2.gz PTIDKSJWPXVPFD-MYPMTAMASA-N 1 0 289.375 3.024 10 0 CGAERO Cc1c(NC(=O)C[C@@H]([NH3+])C(C)C)cccc1C(F)(F)F ZINC000646235503 393243666 /nfs/dbraw/zinc/24/36/66/393243666.db2.gz XBGPLPJFVXIPMC-LLVKDONJSA-N 1 0 288.313 3.326 10 0 CGAERO CC[C@@H]1CN(c2ccccc2SC)[C@@H](CC)C[NH2+]1 ZINC000083480039 134503449 /nfs/dbraw/zinc/50/34/49/134503449.db2.gz MXISJFDYPHMQML-OLZOCXBDSA-N 1 0 264.438 3.375 10 0 CGAERO CC[C@@H]1CN(c2ccc(F)cc2)[C@H](C(C)C)C[NH2+]1 ZINC000083383651 135017716 /nfs/dbraw/zinc/01/77/16/135017716.db2.gz UAIZOODHTKTPCD-HIFRSBDPSA-N 1 0 250.361 3.039 10 0 CGAERO CC(C)[C@@H]1CN(c2ccccc2Cl)[C@@H](C)C[NH2+]1 ZINC000083394252 135018036 /nfs/dbraw/zinc/01/80/36/135018036.db2.gz IFXKYFWOFRPZDY-AAEUAGOBSA-N 1 0 252.789 3.163 10 0 CGAERO Cc1ccc(N2CC[NH2+]C[C@H]2C(C)C)cc1Cl ZINC000083394367 135018446 /nfs/dbraw/zinc/01/84/46/135018446.db2.gz AWHNERFCUBNIOU-AWEZNQCLSA-N 1 0 252.789 3.083 10 0 CGAERO CC[C@@H]1CN(c2cccc(Cl)c2)[C@H](CC)C[NH2+]1 ZINC000083394341 135018495 /nfs/dbraw/zinc/01/84/95/135018495.db2.gz HRSSQYHVDSDEGD-CHWSQXEVSA-N 1 0 252.789 3.307 10 0 CGAERO CC[C@@H]1CN(c2cc(F)ccc2F)[C@H](C(C)C)C[NH2+]1 ZINC000083510483 135025298 /nfs/dbraw/zinc/02/52/98/135025298.db2.gz BUCROPOFKZDZAK-DOMZBBRYSA-N 1 0 268.351 3.178 10 0 CGAERO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1c1ccc(F)cc1F ZINC000083510449 135025333 /nfs/dbraw/zinc/02/53/33/135025333.db2.gz DFCXBILTTUERIV-GXTWGEPZSA-N 1 0 268.351 3.178 10 0 CGAERO CC(C)[C@@H]1CN(c2ccc(Cl)c(F)c2)[C@@H](C)C[NH2+]1 ZINC000083518098 135026797 /nfs/dbraw/zinc/02/67/97/135026797.db2.gz FXNQPSRSMRJXFF-HZMBPMFUSA-N 1 0 270.779 3.302 10 0 CGAERO CCCN(CC)c1cc[nH+]c(C)c1Br ZINC000669379642 543103960 /nfs/dbraw/zinc/10/39/60/543103960.db2.gz GPQHVJAIGWPPND-UHFFFAOYSA-N 1 0 257.175 3.389 10 0 CGAERO [NH3+]CCSCCOc1ccc(Cl)c(Cl)c1 ZINC000020399437 171181843 /nfs/dbraw/zinc/18/18/43/171181843.db2.gz QMSYUUYVRNPYOG-UHFFFAOYSA-N 1 0 266.193 3.064 10 0 CGAERO CC(C)(C)[C@H](NC(=O)C1CCC([NH3+])CC1)c1ccccc1 ZINC000037628299 397608505 /nfs/dbraw/zinc/60/85/05/397608505.db2.gz KFNDZLAFJSJROQ-UYSNPLJNSA-N 1 0 288.435 3.408 10 0 CGAERO C[C@@H](NC(=O)C1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000040852478 397611136 /nfs/dbraw/zinc/61/11/36/397611136.db2.gz OFGVNZHQRHYEEF-PWQPVHBWSA-N 1 0 280.799 3.035 10 0 CGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)CCCO2 ZINC000188022476 397662742 /nfs/dbraw/zinc/66/27/42/397662742.db2.gz HZIOIIQEOGQDQI-DJIMGWMZSA-N 1 0 289.419 3.349 10 0 CGAERO [NH2+]=C(NCc1ccccc1)Nc1cccc(F)c1F ZINC000306212896 397677053 /nfs/dbraw/zinc/67/70/53/397677053.db2.gz SQSZPJXKHSTRMH-UHFFFAOYSA-N 1 0 261.275 3.101 10 0 CGAERO C[C@H](COCc1ccccc1)[NH2+][C@H]1CS[C@H](C)C1 ZINC000390538541 397692409 /nfs/dbraw/zinc/69/24/09/397692409.db2.gz PXOPLBUBJYFJRW-UMVBOHGHSA-N 1 0 265.422 3.075 10 0 CGAERO O[C@]12CCCC[C@H]1CN(c1cc[nH+]c3ccccc31)CC2 ZINC000220372333 296589420 /nfs/dbraw/zinc/58/94/20/296589420.db2.gz OUFDYWJNKFDWHG-KSSFIOAISA-N 1 0 282.387 3.366 10 0 CGAERO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)C1CCCCC1 ZINC000177386970 287053271 /nfs/dbraw/zinc/05/32/71/287053271.db2.gz WCSRVCIUTYLCSI-OLZOCXBDSA-N 1 0 276.428 3.234 10 0 CGAERO CC[C@@H]1CC[C@H]([NH2+]C[C@@H](c2cccc(OC)c2)N(C)C)C1 ZINC000080425784 287065122 /nfs/dbraw/zinc/06/51/22/287065122.db2.gz MMJZLROIAFOCKL-HFTRVMKXSA-N 1 0 290.451 3.466 10 0 CGAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccccc1Br ZINC000077204329 165116689 /nfs/dbraw/zinc/11/66/89/165116689.db2.gz VBARUZLPHAMJPE-TZMCWYRMSA-N 1 0 298.224 3.090 10 0 CGAERO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089733324 165214140 /nfs/dbraw/zinc/21/41/40/165214140.db2.gz DETWJHVUSANDCD-HRCADAONSA-N 1 0 290.455 3.250 10 0 CGAERO CC(C)CCC[C@H](C)[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000089732850 165215257 /nfs/dbraw/zinc/21/52/57/165215257.db2.gz VDDJBJFAGASAAS-HOTGVXAUSA-N 1 0 290.455 3.250 10 0 CGAERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000089732628 165215372 /nfs/dbraw/zinc/21/53/72/165215372.db2.gz SOJDHRILSLDLKF-WBVHZDCISA-N 1 0 296.418 3.105 10 0 CGAERO CCCn1ccc(CNC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000091012542 165250556 /nfs/dbraw/zinc/25/05/56/165250556.db2.gz PAAPUYZBEJLYJA-UHFFFAOYSA-N 1 0 277.456 3.251 10 0 CGAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](c1ccccc1)C(C)C ZINC000091377455 165261891 /nfs/dbraw/zinc/26/18/91/165261891.db2.gz JERGMPNBHXELMF-HOTGVXAUSA-N 1 0 284.407 3.408 10 0 CGAERO C[NH2+]Cc1ccccc1NC(=O)c1ccccc1SC ZINC000092231751 165287765 /nfs/dbraw/zinc/28/77/65/165287765.db2.gz YWOPMNJJOFKIKX-UHFFFAOYSA-N 1 0 286.400 3.380 10 0 CGAERO CC[C@@H]([NH2+]CC1CC(O)C1)c1ccc(Br)cc1 ZINC000091415783 287107933 /nfs/dbraw/zinc/10/79/33/287107933.db2.gz OBZSDCXHJWVGRK-UZANAETPSA-N 1 0 298.224 3.261 10 0 CGAERO C[C@@H]([NH2+]CC1CC(O)C1)c1ccc(C(C)(C)C)cc1 ZINC000091425345 287108316 /nfs/dbraw/zinc/10/83/16/287108316.db2.gz MNFZOZCCAOKFMI-VEAWUBTESA-N 1 0 261.409 3.406 10 0 CGAERO CC(C)Cc1ccc([C@H](C)[NH2+]CC2CC(O)C2)cc1 ZINC000091525934 287108623 /nfs/dbraw/zinc/10/86/23/287108623.db2.gz MOIQZXKZNXTSSD-KTAKPFMOSA-N 1 0 261.409 3.307 10 0 CGAERO CCn1cc(C[N@@H+]2CCC[C@H](c3nc(C)cs3)C2)cn1 ZINC000092788079 165311147 /nfs/dbraw/zinc/31/11/47/165311147.db2.gz LVCWZSRFJRFHMT-AWEZNQCLSA-N 1 0 290.436 3.048 10 0 CGAERO Cc1ccc([C@H](C)[NH2+]Cc2cc(C(N)=O)cs2)cc1F ZINC000094953080 165396678 /nfs/dbraw/zinc/39/66/78/165396678.db2.gz MJFLGYOYSKOWJY-JTQLQIEISA-N 1 0 292.379 3.145 10 0 CGAERO CCNC(=O)CC[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC000135718490 165446972 /nfs/dbraw/zinc/44/69/72/165446972.db2.gz ALVAVZLLSXMXSK-OAHLLOKOSA-N 1 0 276.424 3.280 10 0 CGAERO CCC(C)(C)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000109130260 287127976 /nfs/dbraw/zinc/12/79/76/287127976.db2.gz STBRZPXEOOBXMJ-CYBMUJFWSA-N 1 0 284.444 3.412 10 0 CGAERO Cc1ccc(OC2CC[NH+](C3CCCC3)CC2)nc1 ZINC000181547995 165688151 /nfs/dbraw/zinc/68/81/51/165688151.db2.gz PZYIMTFGPVPIGH-UHFFFAOYSA-N 1 0 260.381 3.176 10 0 CGAERO CCc1ccc([C@H](C)NC(=O)C[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000261684896 165827570 /nfs/dbraw/zinc/82/75/70/165827570.db2.gz MSXCSRLWCIHHKX-IAOVAPTHSA-N 1 0 288.435 3.334 10 0 CGAERO Cc1cnn(CC[NH2+][C@H](CCc2ccccc2)C(C)C)c1 ZINC000123995457 287228296 /nfs/dbraw/zinc/22/82/96/287228296.db2.gz ZKRFKFQJOVNUNH-GOSISDBHSA-N 1 0 285.435 3.439 10 0 CGAERO [NH3+][C@H](Cc1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000005518757 170107674 /nfs/dbraw/zinc/10/76/74/170107674.db2.gz QVUWDZISJOBHIW-OAHLLOKOSA-N 1 0 269.344 3.090 10 0 CGAERO CC(C)C[NH2+]Cc1nccn1Cc1c(F)cccc1Cl ZINC000006688093 170226282 /nfs/dbraw/zinc/22/62/82/170226282.db2.gz URECLFINJQWGRH-UHFFFAOYSA-N 1 0 295.789 3.470 10 0 CGAERO Cc1ccccc1-c1nnc(C[NH+]2CCC(C)CC2)o1 ZINC000006823249 170246410 /nfs/dbraw/zinc/24/64/10/170246410.db2.gz BZWUEJYBGRFDLO-UHFFFAOYSA-N 1 0 271.364 3.277 10 0 CGAERO CC(C)[NH2+]CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000007752170 170300382 /nfs/dbraw/zinc/30/03/82/170300382.db2.gz UXEXISNJFGFFGA-SECBINFHSA-N 1 0 289.206 3.169 10 0 CGAERO COc1ccc(NC(=O)C[NH2+]C2CCCCCCC2)cc1 ZINC000008131068 170320261 /nfs/dbraw/zinc/32/02/61/170320261.db2.gz CWHDMYVGEOQBKB-UHFFFAOYSA-N 1 0 290.407 3.336 10 0 CGAERO COc1ccc(C[NH3+])cc1OCc1ccccc1Cl ZINC000011860896 170449089 /nfs/dbraw/zinc/44/90/89/170449089.db2.gz KSRLDJQIOBYZBH-UHFFFAOYSA-N 1 0 277.751 3.386 10 0 CGAERO CCN1CCC[C@H]([NH2+]Cc2cccc(Cl)c2F)C1 ZINC000125121865 287240208 /nfs/dbraw/zinc/24/02/08/287240208.db2.gz SRAJFGTXPQPJLA-LBPRGKRZSA-N 1 0 270.779 3.053 10 0 CGAERO CC(C)[C@H]1Cc2ccc(Br)cc2C[NH2+]1 ZINC000013687076 170578646 /nfs/dbraw/zinc/57/86/46/170578646.db2.gz XAVWSCQIGCZNCL-GFCCVEGCSA-N 1 0 254.171 3.119 10 0 CGAERO COc1cccc2c1Cc1c-2[nH+]c2ccccc2c1N ZINC000013808515 170596756 /nfs/dbraw/zinc/59/67/56/170596756.db2.gz UOXICDLLJJDAID-UHFFFAOYSA-N 1 0 262.312 3.397 10 0 CGAERO COc1ccccc1NC(=O)Nc1ccccc1[C@@H](C)[NH3+] ZINC000019255621 170759526 /nfs/dbraw/zinc/75/95/26/170759526.db2.gz AZDZEBZQEISGDD-LLVKDONJSA-N 1 0 285.347 3.359 10 0 CGAERO C[C@@H]([NH3+])c1ccccc1NC(=O)c1ccc(F)cc1 ZINC000019256456 170759993 /nfs/dbraw/zinc/75/99/93/170759993.db2.gz RPKUEQDBZYXCKU-SNVBAGLBSA-N 1 0 258.296 3.098 10 0 CGAERO CC(C)c1ccccc1Oc1cc(C(N)=[NH2+])ccn1 ZINC000019428329 170796090 /nfs/dbraw/zinc/79/60/90/170796090.db2.gz LDBBYXHQZNBMJG-UHFFFAOYSA-N 1 0 255.321 3.281 10 0 CGAERO C[C@@H]1CC[C@@H](C(=O)Nc2cccc3ccccc32)C[NH2+]1 ZINC000019483276 170810684 /nfs/dbraw/zinc/81/06/84/170810684.db2.gz CEIYYYVPGYQGSI-TZMCWYRMSA-N 1 0 268.360 3.166 10 0 CGAERO C[C@@H]([NH3+])c1ccc(NC(=O)c2cc(F)ccc2F)cc1 ZINC000019515339 170822378 /nfs/dbraw/zinc/82/23/78/170822378.db2.gz LHPKDLCFPFNJOQ-SECBINFHSA-N 1 0 276.286 3.237 10 0 CGAERO CC(C)c1ccccc1NC(=O)[C@H]1CC[C@H](C)[NH2+]C1 ZINC000019518076 170823777 /nfs/dbraw/zinc/82/37/77/170823777.db2.gz SDLUQJOWQRLPMM-STQMWFEESA-N 1 0 260.381 3.137 10 0 CGAERO COc1cccc(C[C@H]([NH3+])c2ccc(F)c(F)c2)c1 ZINC000019968451 170950421 /nfs/dbraw/zinc/95/04/21/170950421.db2.gz RIMRJQQDUCVDQA-HNNXBMFYSA-N 1 0 263.287 3.216 10 0 CGAERO CC(C)COCCC[NH2+][C@@H]1CCOc2ccccc21 ZINC000020147334 171033893 /nfs/dbraw/zinc/03/38/93/171033893.db2.gz IWKRMPMHKHZWFQ-OAHLLOKOSA-N 1 0 263.381 3.163 10 0 CGAERO COCCOCCC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000020191772 171057422 /nfs/dbraw/zinc/05/74/22/171057422.db2.gz HDEMRWRPWDFANJ-LSDHHAIUSA-N 1 0 271.445 3.234 10 0 CGAERO CCOc1ccc(C[NH2+]CCCOCC2CC2)cc1OC ZINC000020191189 171057725 /nfs/dbraw/zinc/05/77/25/171057725.db2.gz LWDKJCKFBPWGGO-UHFFFAOYSA-N 1 0 293.407 3.000 10 0 CGAERO C[N@H+](CCCc1ccccc1N)Cc1ccccc1 ZINC000020192155 171058251 /nfs/dbraw/zinc/05/82/51/171058251.db2.gz CVPJZFQVTMYXFD-UHFFFAOYSA-N 1 0 254.377 3.333 10 0 CGAERO Cc1ccccc1[C@H](C[NH3+])N(C)Cc1ccc(F)cc1 ZINC000020225440 171088696 /nfs/dbraw/zinc/08/86/96/171088696.db2.gz QXZMTCZTIDLZOL-KRWDZBQOSA-N 1 0 272.367 3.266 10 0 CGAERO COc1ccc([C@H](CN)[N@H+](C)CC2CCCCC2)cc1 ZINC000020225885 171089744 /nfs/dbraw/zinc/08/97/44/171089744.db2.gz GWGICVBMVXNIHQ-KRWDZBQOSA-N 1 0 276.424 3.207 10 0 CGAERO CN(CC(C)(C)C)[C@H](C[NH3+])c1ccccc1Cl ZINC000020225933 171090067 /nfs/dbraw/zinc/09/00/67/171090067.db2.gz YALHRUZAILPWEB-CYBMUJFWSA-N 1 0 254.805 3.318 10 0 CGAERO CCCN(C)[C@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000020226697 171091365 /nfs/dbraw/zinc/09/13/65/171091365.db2.gz PKXRTMCMAUMJLJ-GFCCVEGCSA-N 1 0 261.196 3.335 10 0 CGAERO CCN(CC[NH3+])c1ccccc1Oc1ccccc1 ZINC000020240114 171097098 /nfs/dbraw/zinc/09/70/98/171097098.db2.gz XXZCABCEPWUMKE-UHFFFAOYSA-N 1 0 256.349 3.264 10 0 CGAERO O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CCCC[NH2+]1 ZINC000020246452 171099890 /nfs/dbraw/zinc/09/98/90/171099890.db2.gz JTYPGNDNLOIZGN-JTQLQIEISA-N 1 0 273.163 3.074 10 0 CGAERO CC(C)C[C@](C)(C[NH3+])N(C)Cc1cccc(F)c1 ZINC000020266492 171123367 /nfs/dbraw/zinc/12/33/67/171123367.db2.gz PPKWUZCUMIITDX-OAHLLOKOSA-N 1 0 252.377 3.021 10 0 CGAERO COc1ccc(OC)c([C@@H](C[NH3+])c2c[nH]c3ccccc32)c1 ZINC000020268130 171124452 /nfs/dbraw/zinc/12/44/52/171124452.db2.gz KOENIMFXYOTBAL-OAHLLOKOSA-N 1 0 296.370 3.276 10 0 CGAERO [NH3+][C@H]1CCCCC[C@H]1Oc1cccc2cccnc21 ZINC000020296862 171137060 /nfs/dbraw/zinc/13/70/60/171137060.db2.gz UBFWXBOMFYRAOE-UONOGXRCSA-N 1 0 256.349 3.274 10 0 CGAERO Cc1ccc([C@@H]([NH3+])Cc2nc3ccccc3o2)s1 ZINC000020427588 171193083 /nfs/dbraw/zinc/19/30/83/171193083.db2.gz UMOMCOBOPAZFJN-JTQLQIEISA-N 1 0 258.346 3.440 10 0 CGAERO Clc1ccc(N[C@@H]2C[NH+]3CCC2CC3)c(Cl)c1 ZINC000020440467 171203790 /nfs/dbraw/zinc/20/37/90/171203790.db2.gz UJUNASULHOUQSR-CYBMUJFWSA-N 1 0 271.191 3.500 10 0 CGAERO Cc1cc(Br)ccc1N1CCCC1=[NH2+] ZINC000020444111 171205655 /nfs/dbraw/zinc/20/56/55/171205655.db2.gz XNLOICNXKODRTE-UHFFFAOYSA-N 1 0 253.143 3.335 10 0 CGAERO COc1ccc(F)cc1[C@@H]([NH3+])Cc1ccccc1F ZINC000020470561 171212814 /nfs/dbraw/zinc/21/28/14/171212814.db2.gz PZYFPIWQLHJIPP-AWEZNQCLSA-N 1 0 263.287 3.216 10 0 CGAERO Cc1ccc(F)c(NC(=O)C[C@@H]([NH3+])c2ccccc2)c1 ZINC000020471940 171214460 /nfs/dbraw/zinc/21/44/60/171214460.db2.gz PFIMSVYLCGVYLO-CQSZACIVSA-N 1 0 272.323 3.163 10 0 CGAERO [NH3+][C@@H](C(=O)Nc1cccc(Cl)c1F)c1ccccc1 ZINC000020472589 171215749 /nfs/dbraw/zinc/21/57/49/171215749.db2.gz KLCXPLFMKVIQQV-CYBMUJFWSA-N 1 0 278.714 3.118 10 0 CGAERO [NH3+][C@@H](c1cncc(Br)c1)c1ccc(F)cc1F ZINC000020480908 171221832 /nfs/dbraw/zinc/22/18/32/171221832.db2.gz CURJTANOBCDRRG-LBPRGKRZSA-N 1 0 299.118 3.170 10 0 CGAERO C[N@H+]1[C@@H]2CC[C@H]1CC(Nc1c(F)cccc1F)C2 ZINC000020524072 171236514 /nfs/dbraw/zinc/23/65/14/171236514.db2.gz LCKSVXMMPHEUTB-FGWVZKOKSA-N 1 0 252.308 3.002 10 0 CGAERO COC(C)(C)C[C@H](C)[NH2+]CCc1ccccc1F ZINC000020524326 171237310 /nfs/dbraw/zinc/23/73/10/171237310.db2.gz AZOLIEPOKDBVCE-LBPRGKRZSA-N 1 0 253.361 3.161 10 0 CGAERO CC[NH2+]CCCOc1ccc(C)cc1Br ZINC000020524961 171237858 /nfs/dbraw/zinc/23/78/58/171237858.db2.gz BJIOKOBWRSDGEN-UHFFFAOYSA-N 1 0 272.186 3.136 10 0 CGAERO Fc1cc(Br)ccc1OCCC[NH2+]C1CC1 ZINC000020525461 171238020 /nfs/dbraw/zinc/23/80/20/171238020.db2.gz HNSWZGLNOMJQEW-UHFFFAOYSA-N 1 0 288.160 3.109 10 0 CGAERO C[C@@H]1C[C@H](C)C[N@H+]([C@@]2(CN)CCCc3ccccc32)C1 ZINC000020561274 171251780 /nfs/dbraw/zinc/25/17/80/171251780.db2.gz ZMKXLOYOHYEWOL-RVKKMQEKSA-N 1 0 272.436 3.155 10 0 CGAERO [NH3+][C@@H]1CCCCCC[C@@H]1Oc1ccc(F)cc1F ZINC000021013924 171289026 /nfs/dbraw/zinc/28/90/26/171289026.db2.gz LVTQDBVYZKDETE-OCCSQVGLSA-N 1 0 255.308 3.394 10 0 CGAERO CC(C)Cc1ccc([C@H]([NH3+])COCC(F)(F)F)cc1 ZINC000021501028 171305578 /nfs/dbraw/zinc/30/55/78/171305578.db2.gz WUEFLQWDPAONDE-CYBMUJFWSA-N 1 0 275.314 3.464 10 0 CGAERO CC1CC[NH+]([C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2N)CC1 ZINC000021805090 171327155 /nfs/dbraw/zinc/32/71/55/171327155.db2.gz ANKYCEOCRDQYOH-SOUVJXGZSA-N 1 0 252.446 3.260 10 0 CGAERO CCOc1cc2c(cc1C[NH2+]C(C)(C)C)O[C@@H](C)C2 ZINC000021959842 171342154 /nfs/dbraw/zinc/34/21/54/171342154.db2.gz BLKJTOFSNANUGE-NSHDSACASA-N 1 0 263.381 3.297 10 0 CGAERO CC[C@@H](c1cccc(Br)c1)N1CCC[NH2+]CC1 ZINC000022127580 171354598 /nfs/dbraw/zinc/35/45/98/171354598.db2.gz TYXTVNISPOJGPA-AWEZNQCLSA-N 1 0 297.240 3.196 10 0 CGAERO CCC[NH+](CCC)CCC(=O)Nc1ccc(Cl)c(N)c1 ZINC000022152455 171359579 /nfs/dbraw/zinc/35/95/79/171359579.db2.gz RUXGKNCYXLAKBQ-UHFFFAOYSA-N 1 0 297.830 3.373 10 0 CGAERO Nc1ccc(F)c(NC(=O)CCC[NH+]2CCCCCC2)c1 ZINC000022155385 171361998 /nfs/dbraw/zinc/36/19/98/171361998.db2.gz BSIYBCXNNPQXIH-UHFFFAOYSA-N 1 0 293.386 3.003 10 0 CGAERO C[C@@H]1CCCCN1[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000022165411 171365521 /nfs/dbraw/zinc/36/55/21/171365521.db2.gz KPHHBITVXITFLF-RISCZKNCSA-N 1 0 252.789 3.214 10 0 CGAERO C[C@H]1CCC[C@H](C)[NH+]1CCCC(=O)Nc1cccc(N)c1 ZINC000022169772 171367724 /nfs/dbraw/zinc/36/77/24/171367724.db2.gz VOVIXSAYESXDLD-KBPBESRZSA-N 1 0 289.423 3.250 10 0 CGAERO C[C@H]1C[C@H]1c1ccc([C@@H](C[NH3+])N2CCc3ccccc32)o1 ZINC000022174200 171369114 /nfs/dbraw/zinc/36/91/14/171369114.db2.gz ZMMCOULZCJPPDW-JGGQBBKZSA-N 1 0 282.387 3.466 10 0 CGAERO CCN(c1ccccc1)[C@@H](C[NH3+])c1ccccc1OC ZINC000022177505 171371696 /nfs/dbraw/zinc/37/16/96/171371696.db2.gz KCWCWJJBSNSMKI-INIZCTEOSA-N 1 0 270.376 3.222 10 0 CGAERO CC(C)N(C)[C@H](C[NH3+])c1ccccc1C(F)(F)F ZINC000022218066 171376157 /nfs/dbraw/zinc/37/61/57/171376157.db2.gz FUKYDALKEKYKSS-GFCCVEGCSA-N 1 0 260.303 3.045 10 0 CGAERO CC[N@H+](CCC(=O)Nc1cccc(N)c1)C1CCCCC1 ZINC000022223511 171379606 /nfs/dbraw/zinc/37/96/06/171379606.db2.gz CVUKNZYDYZXKEX-UHFFFAOYSA-N 1 0 289.423 3.252 10 0 CGAERO COc1ccc([C@H](N)[C@H](C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000022563520 171391234 /nfs/dbraw/zinc/39/12/34/171391234.db2.gz SOFHGKGWRWJUEO-QDEZUTFSSA-N 1 0 276.424 3.061 10 0 CGAERO Cc1ccc([C@@H](c2ccccc2)N2CC[NH2+]CC2)cc1C ZINC000022793947 171399444 /nfs/dbraw/zinc/39/94/44/171399444.db2.gz STWJPILSTPVEHB-LJQANCHMSA-N 1 0 280.415 3.298 10 0 CGAERO C[C@@H]1CC[C@H]([NH3+])[C@H](Oc2cccc3cccnc32)C1 ZINC000034679515 171862965 /nfs/dbraw/zinc/86/29/65/171862965.db2.gz ODMXFRODMDQIIN-OSAQELSMSA-N 1 0 256.349 3.130 10 0 CGAERO C[NH2+][C@@H](C)c1ccc(OCCC(C)C)c(OC)c1 ZINC000034819800 171872640 /nfs/dbraw/zinc/87/26/40/171872640.db2.gz GECYJHVFUWJDFL-LBPRGKRZSA-N 1 0 251.370 3.401 10 0 CGAERO CCC[NH2+]Cc1ccc(Br)cc1N(C)CC ZINC000034824589 171878890 /nfs/dbraw/zinc/87/88/90/171878890.db2.gz VRTQYPZMDGRSGP-UHFFFAOYSA-N 1 0 285.229 3.405 10 0 CGAERO CCCN(c1cccc(Cl)c1C[NH2+]C)C1CC1 ZINC000034824922 171879814 /nfs/dbraw/zinc/87/98/14/171879814.db2.gz BJPUSTYGLUSWJY-UHFFFAOYSA-N 1 0 252.789 3.438 10 0 CGAERO COc1ccc([C@H]([NH3+])[C@H]2CCCO2)c2ccccc12 ZINC000034973370 171909171 /nfs/dbraw/zinc/90/91/71/171909171.db2.gz KWKKNPSTIXLFBV-CVEARBPZSA-N 1 0 257.333 3.027 10 0 CGAERO CC[C@H](CO)[NH2+][C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000034994739 171922932 /nfs/dbraw/zinc/92/29/32/171922932.db2.gz GOBCBLFHYJCPMV-OAGGEKHMSA-N 1 0 253.430 3.486 10 0 CGAERO c1coc(CNC2=[NH+]C[C@@H](c3ccccc3)S2)c1 ZINC000035082547 171967987 /nfs/dbraw/zinc/96/79/87/171967987.db2.gz UXLOGDLKXWTWEA-ZDUSSCGKSA-N 1 0 258.346 3.213 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCc2ccccc21)C(=O)Nc1ccccc1 ZINC000035180561 172034068 /nfs/dbraw/zinc/03/40/68/172034068.db2.gz VFMWYOWBTKTGDQ-SUMWQHHRSA-N 1 0 280.371 3.291 10 0 CGAERO O=C(C[NH2+][C@@H]1CCc2ccccc21)Nc1ccccc1F ZINC000035180548 172034306 /nfs/dbraw/zinc/03/43/06/172034306.db2.gz XANFTFIMONKZCP-OAHLLOKOSA-N 1 0 284.334 3.041 10 0 CGAERO CCN(CC)C(=O)[C@@H](C)[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000035224723 172069692 /nfs/dbraw/zinc/06/96/92/172069692.db2.gz SODORVLIKROVNI-RHSMWYFYSA-N 1 0 288.435 3.293 10 0 CGAERO C[C@@H](Cn1ccnc1)[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000035275414 172094940 /nfs/dbraw/zinc/09/49/40/172094940.db2.gz IYQBQOGECHHNQA-CAOSSQGBSA-N 1 0 261.413 3.220 10 0 CGAERO COCCc1ccc([C@@H]([NH3+])c2cc(C)oc2C)cc1 ZINC000035380881 172163677 /nfs/dbraw/zinc/16/36/77/172163677.db2.gz ITIKORUWAKRFAO-MRXNPFEDSA-N 1 0 259.349 3.133 10 0 CGAERO C[NH2+][C@H](c1ccsc1)c1ccc(OC)c(OC)c1 ZINC000035463068 172210669 /nfs/dbraw/zinc/21/06/69/172210669.db2.gz GEZNOXCTESZSIF-AWEZNQCLSA-N 1 0 263.362 3.074 10 0 CGAERO C[NH2+][C@@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000035463544 172211550 /nfs/dbraw/zinc/21/15/50/172211550.db2.gz HQGITXGGIMAJLI-GFCCVEGCSA-N 1 0 284.128 3.490 10 0 CGAERO C[NH2+][C@@H](c1ccccc1)c1cncc(Br)c1 ZINC000035464953 172212664 /nfs/dbraw/zinc/21/26/64/172212664.db2.gz OAIVBZXFFQRVAH-ZDUSSCGKSA-N 1 0 277.165 3.153 10 0 CGAERO C[NH2+][C@H](c1ccsc1)c1ccc2c(c1)C[C@@H](C)O2 ZINC000035504350 172238090 /nfs/dbraw/zinc/23/80/90/172238090.db2.gz DLAPFWLSASWCHM-BMIGLBTASA-N 1 0 259.374 3.380 10 0 CGAERO C[NH2+][C@H](c1cccs1)c1ccc2c(c1)C[C@@H](C)O2 ZINC000035504466 172238399 /nfs/dbraw/zinc/23/83/99/172238399.db2.gz XUBWOLSZVZMRAS-BMIGLBTASA-N 1 0 259.374 3.380 10 0 CGAERO CCCC[C@H]([NH2+]C)c1cc2c(cc1Cl)NC(=O)C2 ZINC000035507099 172240343 /nfs/dbraw/zinc/24/03/43/172240343.db2.gz DKARJAKJDRZEBT-LBPRGKRZSA-N 1 0 266.772 3.285 10 0 CGAERO CC[NH2+][C@H](c1ccc(OC)c(Cl)c1)[C@@H]1CCCO1 ZINC000035538638 172244885 /nfs/dbraw/zinc/24/48/85/172244885.db2.gz OOAGMNRSFBMZQS-UONOGXRCSA-N 1 0 269.772 3.178 10 0 CGAERO CC[NH2+][C@H](c1ccsc1)c1ccc(OC)cc1OC ZINC000035545955 172254023 /nfs/dbraw/zinc/25/40/23/172254023.db2.gz XTDRXDPNNWNSDH-OAHLLOKOSA-N 1 0 277.389 3.464 10 0 CGAERO CC[NH2+][C@H](CC)c1cc(OC)c(OC)cc1Cl ZINC000035557523 172262723 /nfs/dbraw/zinc/26/27/23/172262723.db2.gz WPSQEIOZDVIARH-LLVKDONJSA-N 1 0 257.761 3.418 10 0 CGAERO CCC[NH2+][C@@H](c1ccc(OC)c(OC)c1)[C@H]1C[C@@H]1C ZINC000035574642 172271061 /nfs/dbraw/zinc/27/10/61/172271061.db2.gz BAIQRYDGQZILEU-RBOXIYTFSA-N 1 0 263.381 3.401 10 0 CGAERO CCC[NH2+][C@H](c1ccc(OC)c(OC)c1)[C@@H]1C[C@@H]1C ZINC000035574640 172271237 /nfs/dbraw/zinc/27/12/37/172271237.db2.gz BAIQRYDGQZILEU-NORZTCDRSA-N 1 0 263.381 3.401 10 0 CGAERO CCC[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1Cl ZINC000035584251 172283627 /nfs/dbraw/zinc/28/36/27/172283627.db2.gz YUVSSNAJASBQKO-AWEZNQCLSA-N 1 0 281.762 3.302 10 0 CGAERO CCC[NH2+][C@H](CC)c1cc2c(cc1Cl)NC(=O)C2 ZINC000035587054 172286796 /nfs/dbraw/zinc/28/67/96/172286796.db2.gz WEIQQVURKUPDTR-GFCCVEGCSA-N 1 0 266.772 3.285 10 0 CGAERO CC[NH2+]Cc1nccn1Cc1ccc(C(F)(F)F)cc1 ZINC000035636827 172320369 /nfs/dbraw/zinc/32/03/69/172320369.db2.gz SZNFWGSRONBBAR-UHFFFAOYSA-N 1 0 283.297 3.060 10 0 CGAERO CCCOc1ccc2c(c1)[C@@H]([NH2+]C1CC1)CCCO2 ZINC000035654108 172330541 /nfs/dbraw/zinc/33/05/41/172330541.db2.gz GJGIHUYQVLMAME-HNNXBMFYSA-N 1 0 261.365 3.441 10 0 CGAERO C[C@@H]1CCC[C@](C[NH3+])(N(C)Cc2cccs2)C1 ZINC000035717232 172371641 /nfs/dbraw/zinc/37/16/41/172371641.db2.gz SAGZDFBLCVMTHE-OCCSQVGLSA-N 1 0 252.427 3.088 10 0 CGAERO CN(Cc1cccs1)C[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000035717761 172372334 /nfs/dbraw/zinc/37/23/34/172372334.db2.gz DTUSPWVIMFKTKZ-GUTXKFCHSA-N 1 0 264.438 3.101 10 0 CGAERO C[C@@H]1CCC[C@](C[NH3+])(N(C)Cc2ccsc2)C1 ZINC000035719093 172372929 /nfs/dbraw/zinc/37/29/29/172372929.db2.gz QSWALIJOQCYCQK-OCCSQVGLSA-N 1 0 252.427 3.088 10 0 CGAERO [NH3+]C[C@@H]1CCCC[C@@H]1OCc1ccccc1Cl ZINC000035725672 172379923 /nfs/dbraw/zinc/37/99/23/172379923.db2.gz QCFGCSWEUFAZRQ-FZMZJTMJSA-N 1 0 253.773 3.374 10 0 CGAERO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1C[C@H](O)COC(C)(C)C ZINC000126595568 287268733 /nfs/dbraw/zinc/26/87/33/287268733.db2.gz ZEVFRADMRGMSLO-SOUVJXGZSA-N 1 0 271.445 3.063 10 0 CGAERO [NH3+]CCCCCCc1nc2ccccc2n1C1CC1 ZINC000036896025 172787901 /nfs/dbraw/zinc/78/79/01/172787901.db2.gz LSEZKTVUPRFZGX-UHFFFAOYSA-N 1 0 257.381 3.433 10 0 CGAERO Cc1ccc([C@@H](CN)[NH+]2CCCCCCC2)s1 ZINC000036906771 172795476 /nfs/dbraw/zinc/79/54/76/172795476.db2.gz TYRQEBPIOZPRML-CYBMUJFWSA-N 1 0 252.427 3.322 10 0 CGAERO CC[C@H]1CCCC[C@@H]1[NH2+][C@@H]1COc2cc(O)ccc21 ZINC000037032206 172900244 /nfs/dbraw/zinc/90/02/44/172900244.db2.gz UTKGHVJLNZRQQE-TUKIKUTGSA-N 1 0 261.365 3.384 10 0 CGAERO [NH3+]CCSCCSc1cccc(C(F)(F)F)c1 ZINC000037035635 172903680 /nfs/dbraw/zinc/90/36/80/172903680.db2.gz ZGVSXUOMLJOVAG-UHFFFAOYSA-N 1 0 281.368 3.489 10 0 CGAERO O[C@@H]1CCC[C@H]([NH2+]Cc2cccc3ccccc32)C1 ZINC000037164235 172998696 /nfs/dbraw/zinc/99/86/96/172998696.db2.gz OQWGQYPNHZYYPW-JKSUJKDBSA-N 1 0 255.361 3.233 10 0 CGAERO C[C@H](Nc1cc(F)cc(F)c1)[C@H]1CCC[N@H+](C)C1 ZINC000037210276 173033142 /nfs/dbraw/zinc/03/31/42/173033142.db2.gz RZNRCJWBISHHGN-QWRGUYRKSA-N 1 0 254.324 3.107 10 0 CGAERO CCC[NH+]1CCC([C@H](C)Nc2cccc(O)c2)CC1 ZINC000037221550 173041122 /nfs/dbraw/zinc/04/11/22/173041122.db2.gz XHOOGTWTHYPTOS-ZDUSSCGKSA-N 1 0 262.397 3.315 10 0 CGAERO CC[C@@H](C)[NH2+]CC(=O)Nc1ccc(Br)cc1C ZINC000037386245 173168360 /nfs/dbraw/zinc/16/83/60/173168360.db2.gz JUHKFNQKVUAOPX-SNVBAGLBSA-N 1 0 299.212 3.084 10 0 CGAERO CC(C)n1c(CC[NH2+]C2CC2)nc2cc(F)ccc21 ZINC000037599748 173553197 /nfs/dbraw/zinc/55/31/97/173553197.db2.gz YQMPKVQFKZGYOI-UHFFFAOYSA-N 1 0 261.344 3.051 10 0 CGAERO C[C@H]([NH3+])Cc1ccc(OCCc2ccccc2)cc1 ZINC000037723602 173642550 /nfs/dbraw/zinc/64/25/50/173642550.db2.gz XVTRPFSYNDTYFJ-AWEZNQCLSA-N 1 0 255.361 3.198 10 0 CGAERO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)CC)cc1Cl ZINC000037765830 173694519 /nfs/dbraw/zinc/69/45/19/173694519.db2.gz ODRHQPABIQBRRR-JTQLQIEISA-N 1 0 284.787 3.065 10 0 CGAERO CC[C@@H](Cc1ccccc1Br)[C@@H](C)[NH3+] ZINC000038004458 173966471 /nfs/dbraw/zinc/96/64/71/173966471.db2.gz AVGWBNUIWSJPFS-ZJUUUORDSA-N 1 0 256.187 3.365 10 0 CGAERO [NH3+]C[C@@H](NC(=O)CCC1CCCCC1)C1CCCCC1 ZINC000127358368 287286088 /nfs/dbraw/zinc/28/60/88/287286088.db2.gz FMADFNYGFYLYLA-MRXNPFEDSA-N 1 0 280.456 3.371 10 0 CGAERO Cc1cccc(C2CC([NH2+]C[C@@H]3CCCOC3)C2)c1 ZINC000038044752 174052627 /nfs/dbraw/zinc/05/26/27/174052627.db2.gz LTRGARVCIATSHS-OOHWJJMZSA-N 1 0 259.393 3.257 10 0 CGAERO COc1ccc(Cl)cc1C[NH2+][C@@H](CC(C)C)CN(C)C ZINC000038051606 174062615 /nfs/dbraw/zinc/06/26/15/174062615.db2.gz PSWVPUOZWQBERC-HNNXBMFYSA-N 1 0 298.858 3.415 10 0 CGAERO C[NH2+]Cc1cc(-c2ccccc2OC)ccc1OC ZINC000038070474 174081477 /nfs/dbraw/zinc/08/14/77/174081477.db2.gz CRHXENFFIBLTSA-UHFFFAOYSA-N 1 0 257.333 3.090 10 0 CGAERO C[NH2+]Cc1ccc(F)c(-c2ccc(OC)cc2F)c1 ZINC000038073819 174084044 /nfs/dbraw/zinc/08/40/44/174084044.db2.gz MCRIFCCOOYWBSF-UHFFFAOYSA-N 1 0 263.287 3.360 10 0 CGAERO Cc1cc(C)cc(C[N@@H+]2Cc3cccc(N)c3C2)c1 ZINC000038076934 174087615 /nfs/dbraw/zinc/08/76/15/174087615.db2.gz IJXKLGCROWAIIU-UHFFFAOYSA-N 1 0 252.361 3.401 10 0 CGAERO C[NH2+][C@@H](CCC(C)C)Cc1ccc(OC)c(OC)c1 ZINC000038131441 174131917 /nfs/dbraw/zinc/13/19/17/174131917.db2.gz OJOVNTAROMRXEY-AWEZNQCLSA-N 1 0 265.397 3.271 10 0 CGAERO C[NH2+]C[C@H](C)c1nc(-c2cccc(OC)c2)cs1 ZINC000041354461 174532595 /nfs/dbraw/zinc/53/25/95/174532595.db2.gz LJBBTECNSNEEDP-JTQLQIEISA-N 1 0 262.378 3.142 10 0 CGAERO CC(C)[C@H](CN(C)C)[NH2+][C@H](c1cccs1)C1CC1 ZINC000042331724 174687308 /nfs/dbraw/zinc/68/73/08/174687308.db2.gz DNDWJGGYJHTIDX-ZFWWWQNUSA-N 1 0 266.454 3.375 10 0 CGAERO CC(C)CN(C(=O)Nc1ccc(C[NH3+])cc1)C(C)C ZINC000042594473 174813133 /nfs/dbraw/zinc/81/31/33/174813133.db2.gz WIWJZNFQZLAITD-UHFFFAOYSA-N 1 0 263.385 3.044 10 0 CGAERO CCC[C@@H]([NH3+])[C@@H](CC)N(CCC)CC(F)(F)F ZINC000042762848 174867494 /nfs/dbraw/zinc/86/74/94/174867494.db2.gz RBWKKTJQNQXGHO-GHMZBOCLSA-N 1 0 254.340 3.167 10 0 CGAERO CCC[C@H]([NH3+])[C@H](CC)N(CC(F)(F)F)C(C)C ZINC000042763215 174868464 /nfs/dbraw/zinc/86/84/64/174868464.db2.gz GOKCMJDNSDHSAP-QWRGUYRKSA-N 1 0 254.340 3.165 10 0 CGAERO C[C@@H]([NH3+])[C@@H](Oc1ccc(F)cc1)c1ccc(F)cc1 ZINC000042916302 174916177 /nfs/dbraw/zinc/91/61/77/174916177.db2.gz NHKUHNCOAKZTEW-MEBBXXQBSA-N 1 0 263.287 3.432 10 0 CGAERO C[C@H]([NH3+])[C@H](Oc1ccc(F)cc1)c1ccc(F)cc1 ZINC000042916299 174916253 /nfs/dbraw/zinc/91/62/53/174916253.db2.gz NHKUHNCOAKZTEW-BONVTDFDSA-N 1 0 263.287 3.432 10 0 CGAERO CC[C@@H]([NH3+])[C@H](c1ccc(Cl)cc1)n1nc(C)cc1C ZINC000042947392 174922072 /nfs/dbraw/zinc/92/20/72/174922072.db2.gz VWQATJKADGGKOW-CABCVRRESA-N 1 0 277.799 3.480 10 0 CGAERO COc1cccc(O[C@@H](C[NH3+])c2cccc(C)c2)c1 ZINC000042968018 174932612 /nfs/dbraw/zinc/93/26/12/174932612.db2.gz NADPRZKPCOFBQK-INIZCTEOSA-N 1 0 257.333 3.082 10 0 CGAERO C[C@H]([NH3+])[C@H](OCc1ccccc1)c1ccccc1F ZINC000043046514 174957106 /nfs/dbraw/zinc/95/71/06/174957106.db2.gz KYBNXMYYTSXLKH-LRDDRELGSA-N 1 0 259.324 3.431 10 0 CGAERO C[C@H]([NH3+])[C@@H](c1ccccc1Br)N(C)CC1CC1 ZINC000043092405 174964194 /nfs/dbraw/zinc/96/41/94/174964194.db2.gz NHFWHZFYPSUWMJ-HZMBPMFUSA-N 1 0 297.240 3.179 10 0 CGAERO CCC(C)(C)O[C@H](c1ccccc1OC)[C@H](C)[NH3+] ZINC000043099955 174967228 /nfs/dbraw/zinc/96/72/28/174967228.db2.gz QYBGFVVLTQNGIB-FZMZJTMJSA-N 1 0 251.370 3.289 10 0 CGAERO Oc1ccc(C[NH2+]CCc2ccccc2)cc1Cl ZINC000043476830 175054879 /nfs/dbraw/zinc/05/48/79/175054879.db2.gz PSZXCIALLMEDMC-UHFFFAOYSA-N 1 0 261.752 3.378 10 0 CGAERO C[C@H]([NH3+])Cc1ccc(OC[C@@H]2CCCCO2)c(Cl)c1 ZINC000043491548 175057713 /nfs/dbraw/zinc/05/77/13/175057713.db2.gz VZGQIMZBIMCJJK-AAEUAGOBSA-N 1 0 283.799 3.178 10 0 CGAERO Cc1ccnc(NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC000043561586 175066414 /nfs/dbraw/zinc/06/64/14/175066414.db2.gz UZIBPNKGUZAJFO-HOCLYGCPSA-N 1 0 261.413 3.312 10 0 CGAERO Cc1ccc(C)c([C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000044120394 175142795 /nfs/dbraw/zinc/14/27/95/175142795.db2.gz CZFNBIVRBLZPIL-LJQANCHMSA-N 1 0 281.399 3.395 10 0 CGAERO NC(=[NH2+])c1ccc(OCc2cccc(F)c2)c(Cl)c1 ZINC000044381275 175169286 /nfs/dbraw/zinc/16/92/86/175169286.db2.gz UFGOMTDZXAGRSD-UHFFFAOYSA-N 1 0 278.714 3.342 10 0 CGAERO Cc1cc(C)cc(NC(=O)C2(C[NH3+])CCCCC2)c1 ZINC000044753323 175245510 /nfs/dbraw/zinc/24/55/10/175245510.db2.gz GFTQXDBMVJEWLA-UHFFFAOYSA-N 1 0 260.381 3.151 10 0 CGAERO Clc1ccccc1-c1nccc(C[NH2+]C2CC2)n1 ZINC000045206139 175327740 /nfs/dbraw/zinc/32/77/40/175327740.db2.gz DAAWNQDBLYQHAE-UHFFFAOYSA-N 1 0 259.740 3.049 10 0 CGAERO CCn1nc(C[NH2+]C2CCCCC2)c(-c2ccccc2)n1 ZINC000045944813 175387177 /nfs/dbraw/zinc/38/71/77/175387177.db2.gz YHBRMNYXQAOTDW-UHFFFAOYSA-N 1 0 284.407 3.387 10 0 CGAERO CC(C)[C@H]1CN(Cc2ccco2)[C@H](c2ccccc2)C[NH2+]1 ZINC000062672609 175671424 /nfs/dbraw/zinc/67/14/24/175671424.db2.gz CEOZZJAOXLJKOW-MSOLQXFVSA-N 1 0 284.403 3.451 10 0 CGAERO [NH2+]=C(c1ccc(Br)cc1)N1CCCCC1 ZINC000062995462 175680260 /nfs/dbraw/zinc/68/02/60/175680260.db2.gz UODVPHRLWXOUSQ-UHFFFAOYSA-N 1 0 267.170 3.260 10 0 CGAERO CC(C)CC[C@@H](C)[NH2+]C[C@@H](O)COCc1cccs1 ZINC000070185179 175880589 /nfs/dbraw/zinc/88/05/89/175880589.db2.gz QFMHWBUFBPFADF-ZIAGYGMSSA-N 1 0 285.453 3.040 10 0 CGAERO COc1ccc(C[C@](C)([NH3+])Cc2cccs2)cc1 ZINC000071169574 176050516 /nfs/dbraw/zinc/05/05/16/176050516.db2.gz ZOIGHRSPWDPGDD-HNNXBMFYSA-N 1 0 261.390 3.259 10 0 CGAERO CCC[C@H](C)[N@H+](C)Cc1ccc(F)cc1C(N)=S ZINC000071265814 176099132 /nfs/dbraw/zinc/09/91/32/176099132.db2.gz NJKQMSVPNRWHIC-JTQLQIEISA-N 1 0 268.401 3.080 10 0 CGAERO Cc1ccncc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000071413102 176158740 /nfs/dbraw/zinc/15/87/40/176158740.db2.gz BLNJCXZJWVUTFZ-UHFFFAOYSA-N 1 0 281.403 3.467 10 0 CGAERO COc1ccc(C(C)C)cc1[C@H](O)[C@H](C)[NH2+]C(C)C ZINC000071597979 176221705 /nfs/dbraw/zinc/22/17/05/176221705.db2.gz OPRRYPROXOLXBL-BLLLJJGKSA-N 1 0 265.397 3.239 10 0 CGAERO CC[NH2+][C@@H](C)[C@H](O)c1ccc(OC(C)C)c(Cl)c1 ZINC000071611281 176231711 /nfs/dbraw/zinc/23/17/11/176231711.db2.gz MPUAQDGQBZJVCY-HZMBPMFUSA-N 1 0 271.788 3.159 10 0 CGAERO CC[NH+](CC)[C@@H](C)CNC(=O)CC[C@H](C)c1ccccc1 ZINC000128702932 287316582 /nfs/dbraw/zinc/31/65/82/287316582.db2.gz WVTVLLHTZVVDCJ-HOTGVXAUSA-N 1 0 290.451 3.417 10 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CGAERO C[C@@H](C[NH3+])CCC(=O)Nc1ccccc1C(F)(F)F ZINC000076719155 177069458 /nfs/dbraw/zinc/06/94/58/177069458.db2.gz PUXSMQWDFTVRGG-SECBINFHSA-N 1 0 274.286 3.019 10 0 CGAERO C[NH2+][C@@H](C)c1csc(-c2c(F)cccc2F)n1 ZINC000076784758 177092484 /nfs/dbraw/zinc/09/24/84/177092484.db2.gz NIECSAPOAXMZHG-ZETCQYMHSA-N 1 0 254.305 3.369 10 0 CGAERO C[C@@H](CC[NH3+])C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000076852873 177121193 /nfs/dbraw/zinc/12/11/93/177121193.db2.gz NIDDSLSRYPUHSI-ZETCQYMHSA-N 1 0 294.704 3.282 10 0 CGAERO Cc1cnc([C@H](C)[NH2+][C@@H](C)Cc2ccsc2)o1 ZINC000680934113 543747417 /nfs/dbraw/zinc/74/74/17/543747417.db2.gz KPUKDYGJLIZWLJ-ONGXEEELSA-N 1 0 250.367 3.326 10 0 CGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1(CO)CCC1 ZINC000680355405 543703458 /nfs/dbraw/zinc/70/34/58/543703458.db2.gz YAJQPZVQKWYHHJ-ILXRZTDVSA-N 1 0 253.430 3.199 10 0 CGAERO Cc1cc(C(C)(C)C)cc2c1OCCC[C@H]2[NH2+]CCCO ZINC000130953001 287367167 /nfs/dbraw/zinc/36/71/67/287367167.db2.gz OZVBRRAZPBNBBX-MRXNPFEDSA-N 1 0 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Cc1ccc([C@H](C)[NH2+][C@@H]2CN(C(C)C)C[C@H]2C)s1 ZINC000247021441 278854997 /nfs/dbraw/zinc/85/49/97/278854997.db2.gz LTNBIUSTUQCZPD-KWCYVHTRSA-N 1 0 266.454 3.436 10 0 CGAERO CCN1CCC[C@H]([NH2+][C@@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000040502389 279322942 /nfs/dbraw/zinc/32/29/42/279322942.db2.gz DPOQBGXPPCYBSB-SOUVJXGZSA-N 1 0 252.446 3.275 10 0 CGAERO CC(C)[C@H](C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261951795 280156921 /nfs/dbraw/zinc/15/69/21/280156921.db2.gz KEAAICZWLZHHJE-CVEARBPZSA-N 1 0 288.435 3.012 10 0 CGAERO Cc1[nH+]ccc(NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1Cl ZINC000359946430 280185660 /nfs/dbraw/zinc/18/56/60/280185660.db2.gz JYMZCBRSFJSTJO-PEGIJTEDSA-N 1 0 268.788 3.081 10 0 CGAERO CC(C)c1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C)cc1 ZINC000282048996 280623098 /nfs/dbraw/zinc/62/30/98/280623098.db2.gz AZCOPVVGSYYPNE-HEHGZKQESA-N 1 0 274.408 3.128 10 0 CGAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1[C@@H]1CCC(C)(C)C1 ZINC000164004519 288295073 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Cc1csc(CNC2=[NH+][C@@H](CC(C)C)CS2)n1 ZINC000049534319 526355542 /nfs/dbraw/zinc/35/55/42/526355542.db2.gz CITFPSJRQVVZGN-JTQLQIEISA-N 1 0 269.439 3.059 10 0 CGAERO Cn1cc([C@H]2CCCN2c2cc[nH+]c3ccccc32)cn1 ZINC000110537908 302936408 /nfs/dbraw/zinc/93/64/08/302936408.db2.gz LXHPLJGRSZVAKT-MRXNPFEDSA-N 1 0 278.359 3.310 10 0 CGAERO C[C@@H]1C[C@H]([NH2+]CC2CC(O)C2)C[C@@H](c2ccccc2)C1 ZINC000380157522 327714323 /nfs/dbraw/zinc/71/43/23/327714323.db2.gz YRZHDGRRHHPFNT-BZKPBTAMSA-N 1 0 273.420 3.319 10 0 CGAERO CC(C)COCC[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000167335033 321909306 /nfs/dbraw/zinc/90/93/06/321909306.db2.gz KKCPEOYMXUMWBX-NWDGAFQWSA-N 1 0 267.335 3.370 10 0 CGAERO c1coc(-c2cc(C[N@@H+]3CC[C@H](c4cccnc4)C3)no2)c1 ZINC000566853924 322140285 /nfs/dbraw/zinc/14/02/85/322140285.db2.gz WXMJNTNQPHFUJF-AWEZNQCLSA-N 1 0 295.342 3.319 10 0 CGAERO C[C@H](Cc1ccccc1)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000182038867 335795649 /nfs/dbraw/zinc/79/56/49/335795649.db2.gz BMSVHVSDHZIELR-QGZVFWFLSA-N 1 0 297.446 3.474 10 0 CGAERO CCn1c(C)nnc1CN(Cc1ccccc1)C(C)C ZINC000195044185 336043452 /nfs/dbraw/zinc/04/34/52/336043452.db2.gz JARNYNKTVFGBGL-UHFFFAOYSA-N 1 0 272.396 3.017 10 0 CGAERO CC(C)(C)[NH2+]Cc1cnc(N2C[C@H]3CC[C@@H]2C3)s1 ZINC000054907818 518768646 /nfs/dbraw/zinc/76/86/46/518768646.db2.gz ZHEOSDFICZCDBQ-WDEREUQCSA-N 1 0 265.426 3.020 10 0 CGAERO CCC[N@@H+]1C[C@H](CC(C)C)NC[C@@H]1c1ccccc1 ZINC000062657525 519864777 /nfs/dbraw/zinc/86/47/77/519864777.db2.gz AISWVOLNEZVOIH-DLBZAZTESA-N 1 0 260.425 3.458 10 0 CGAERO CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1nccs1 ZINC000054602556 519907412 /nfs/dbraw/zinc/90/74/12/519907412.db2.gz JQIFIVNYNRAFLY-AGUYFDCRSA-N 1 0 279.453 3.028 10 0 CGAERO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H](C)CC(C)C ZINC000054601963 519909866 /nfs/dbraw/zinc/90/98/66/519909866.db2.gz AICHMNHWYSEBCX-HNSVSWJLSA-N 1 0 252.446 3.416 10 0 CGAERO CC[NH2+][C@@H](C)c1cnn(Cc2ccc(F)cc2Cl)c1 ZINC000054721100 520079177 /nfs/dbraw/zinc/07/91/77/520079177.db2.gz CGXANBWVCVAJHV-JTQLQIEISA-N 1 0 281.762 3.394 10 0 CGAERO CCC(CC)[C@@H]([NH2+][C@@H]1CCN(C)C1)c1ccccc1 ZINC000061987964 521605992 /nfs/dbraw/zinc/60/59/92/521605992.db2.gz JDTJMWPIHVBQOC-IAGOWNOFSA-N 1 0 260.425 3.458 10 0 CGAERO CC[C@H](C[NH2+]CCOC)Cc1c(F)cccc1Cl ZINC000054663613 522193384 /nfs/dbraw/zinc/19/33/84/522193384.db2.gz DNPCDAMVULFTES-NSHDSACASA-N 1 0 273.779 3.284 10 0 CGAERO C[NH2+][C@H](C)c1cnc(N(C)c2ccc(F)cc2)s1 ZINC000054907603 522454956 /nfs/dbraw/zinc/45/49/56/522454956.db2.gz GQPPRJZPSCVKKF-SECBINFHSA-N 1 0 265.357 3.331 10 0 CGAERO C[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccc2c(c1)CCCC2 ZINC000367712467 533890680 /nfs/dbraw/zinc/89/06/80/533890680.db2.gz KFJDMOYZOFQATF-GYIHYUDTSA-N 1 0 271.404 3.108 10 0 CGAERO COc1ccccc1C1CC([NH2+]C[C@@H]2CCC=CO2)C1 ZINC000365805572 534004834 /nfs/dbraw/zinc/00/48/34/534004834.db2.gz LZFNLIFXSKTLGB-NRXISQOPSA-N 1 0 273.376 3.224 10 0 CGAERO C[C@H]1C[NH2+]CCN1c1cc(C(F)(F)F)ccc1Cl ZINC000035838066 518184785 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CC[NH2+][C@H](Cc1cnn(CC)c1)c1cccc(Cl)c1 ZINC000050542564 520203603 /nfs/dbraw/zinc/20/36/03/520203603.db2.gz NAQRWIPVSNKIGI-OAHLLOKOSA-N 1 0 277.799 3.450 10 0 CGAERO CC[NH2+][C@H](Cc1cccnc1)c1cc(C)ccc1F ZINC000055229009 520204491 /nfs/dbraw/zinc/20/44/91/520204491.db2.gz BAJPURBJOSTAOE-MRXNPFEDSA-N 1 0 258.340 3.422 10 0 CGAERO CCCCC[NH2+]C[C@H](C)N1CCc2sccc2C1 ZINC000053486764 520224603 /nfs/dbraw/zinc/22/46/03/520224603.db2.gz KJTFMMHYJJWMBR-ZDUSSCGKSA-N 1 0 266.454 3.275 10 0 CGAERO CCCCN(C)c1nc2c(s1)[C@@H]([NH3+])CC(C)(C)C2 ZINC000054864515 520435566 /nfs/dbraw/zinc/43/55/66/520435566.db2.gz YEFBUWKEAJBSOU-JTQLQIEISA-N 1 0 267.442 3.352 10 0 CGAERO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C)s2)C12CCOCC2 ZINC000186251688 520575779 /nfs/dbraw/zinc/57/57/79/520575779.db2.gz QCUBOVCZWHEZPN-GJZGRUSLSA-N 1 0 295.448 3.120 10 0 CGAERO CCOc1ccc(CC2CC[NH2+]CC2)cc1OCC ZINC000055230036 520941375 /nfs/dbraw/zinc/94/13/75/520941375.db2.gz OWCBUHLEODDTTI-UHFFFAOYSA-N 1 0 263.381 3.026 10 0 CGAERO CCCC[C@@H](C)[NH2+]Cc1cc(C(=O)OC)c(C)o1 ZINC000050887599 521007425 /nfs/dbraw/zinc/00/74/25/521007425.db2.gz BXTMDXFTAKLXPC-SNVBAGLBSA-N 1 0 253.342 3.043 10 0 CGAERO CCCC[C@H](C)[NH2+]Cc1csc(N(CC)C(C)=O)n1 ZINC000050887420 521148641 /nfs/dbraw/zinc/14/86/41/521148641.db2.gz BBWQPARXEYLYJD-NSHDSACASA-N 1 0 283.441 3.184 10 0 CGAERO CCC[C@](C)(C[NH2+]C(C)(C)C)Cc1cnn(C)c1 ZINC000054657230 521267752 /nfs/dbraw/zinc/26/77/52/521267752.db2.gz LEKSAYAADLLTFO-HNNXBMFYSA-N 1 0 251.418 3.157 10 0 CGAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC000052395986 521330815 /nfs/dbraw/zinc/33/08/15/521330815.db2.gz MPNQNDJUDGCLJA-CYBMUJFWSA-N 1 0 266.429 3.160 10 0 CGAERO CCC(CC)(C[NH3+])Cc1ncc(C)c(OC)c1C ZINC000054636521 521426503 /nfs/dbraw/zinc/42/65/03/521426503.db2.gz DGFFJXMIAXPQSP-UHFFFAOYSA-N 1 0 250.386 3.015 10 0 CGAERO CCC(CC)(c1ccccc1)[C@H]([NH3+])c1cnn(C)c1 ZINC000062783867 521480051 /nfs/dbraw/zinc/48/00/51/521480051.db2.gz AFKXLUFQDSBSNY-OAHLLOKOSA-N 1 0 257.381 3.178 10 0 CGAERO 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289.400 3.142 10 0 CGAERO Clc1ccc(Cc2noc([C@H]3CC[NH2+]C3)n2)c(Cl)c1 ZINC000062119647 623203707 /nfs/dbraw/zinc/20/37/07/623203707.db2.gz IEVCQMUNLGFSKU-VIFPVBQESA-N 1 0 298.173 3.044 10 0 CGAERO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000230168017 623213450 /nfs/dbraw/zinc/21/34/50/623213450.db2.gz HPFQIGSYGYXZCA-CABCVRRESA-N 1 0 294.439 3.189 10 0 CGAERO CC(C)[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccnc1 ZINC000062355365 623226795 /nfs/dbraw/zinc/22/67/95/623226795.db2.gz NLQHKERKNFKKGD-QGZVFWFLSA-N 1 0 270.376 3.026 10 0 CGAERO CC[C@H]([NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000230412616 623240129 /nfs/dbraw/zinc/24/01/29/623240129.db2.gz DLLPUMQCBIBMAE-KGLIPLIRSA-N 1 0 284.444 3.268 10 0 CGAERO C(CC1CCCCC1)c1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000063084555 623292156 /nfs/dbraw/zinc/29/21/56/623292156.db2.gz UKPFDVAGZNJLHT-CQSZACIVSA-N 1 0 277.412 3.125 10 0 CGAERO CC(C)OC[C@@H](O)C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000154390162 624268983 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ZINC000757571035 630621243 /nfs/dbraw/zinc/62/12/43/630621243.db2.gz IBWYYTKTFCTKSF-LBPRGKRZSA-N 1 0 251.345 3.422 10 0 CGAERO Cc1cc(C[NH2+]CCCNC(=O)OC(C)(C)C)ccc1F ZINC000105433368 635825338 /nfs/dbraw/zinc/82/53/38/635825338.db2.gz NAQRTOMHTNJWTC-UHFFFAOYSA-N 1 0 296.386 3.139 10 0 CGAERO C[C@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)c1ncc[nH]1 ZINC000221148500 637723022 /nfs/dbraw/zinc/72/30/22/637723022.db2.gz DFUKQXKFEUCAJM-AEJSXWLSSA-N 1 0 261.291 3.181 10 0 CGAERO C[C@@H](COc1ccccc1)[NH2+]CCc1ccccc1 ZINC000221936560 637768119 /nfs/dbraw/zinc/76/81/19/637768119.db2.gz ZCWAIXRRVAVDFS-HNNXBMFYSA-N 1 0 255.361 3.286 10 0 CGAERO C[C@H]1CC[N@H+](C[C@H](O)c2ccc3ccccc3c2)C1 ZINC000044162471 639959210 /nfs/dbraw/zinc/95/92/10/639959210.db2.gz XEXHIYKMXMPJPU-GUYCJALGSA-N 1 0 255.361 3.215 10 0 CGAERO CCCOc1ccc([C@H](C)[NH2+]C2CCS(=O)CC2)cc1 ZINC000157997409 639996380 /nfs/dbraw/zinc/99/63/80/639996380.db2.gz GJQZMNCVQBRCPC-LMVFOVOHSA-N 1 0 295.448 3.037 10 0 CGAERO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(F)nc2)C12CCCC2 ZINC000189386245 640190132 /nfs/dbraw/zinc/19/01/32/640190132.db2.gz XOWUYDIFNKOWQY-HUUCEWRRSA-N 1 0 292.398 3.390 10 0 CGAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000193588731 640476797 /nfs/dbraw/zinc/47/67/97/640476797.db2.gz DGIFXXRKOODCID-KBXCAEBGSA-N 1 0 294.398 3.224 10 0 CGAERO CCC1CCC(c2noc(CC[C@H](C)[NH3+])n2)CC1 ZINC000087933410 640613134 /nfs/dbraw/zinc/61/31/34/640613134.db2.gz BAILGOHLEKQPFE-UNXYVOJBSA-N 1 0 251.374 3.033 10 0 CGAERO [NH3+]C[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000089386423 640643089 /nfs/dbraw/zinc/64/30/89/640643089.db2.gz FVPUVVIULZVEFG-GWCFXTLKSA-N 1 0 266.772 3.044 10 0 CGAERO [NH3+]C[C@H]1CCCC[C@@H]1c1nc(Cc2ccc(F)cc2)no1 ZINC000089383438 640643544 /nfs/dbraw/zinc/64/35/44/640643544.db2.gz JJFPTDGHPISULH-OCCSQVGLSA-N 1 0 289.354 3.032 10 0 CGAERO Cc1cccc(NC(=O)[C@H]2CCCC[C@H]2C[NH3+])c1C ZINC000089386736 640643582 /nfs/dbraw/zinc/64/35/82/640643582.db2.gz JOAXYPVROVMHLQ-KBPBESRZSA-N 1 0 260.381 3.007 10 0 CGAERO [NH3+]C[C@H]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1F ZINC000089389635 640644385 /nfs/dbraw/zinc/64/43/85/640644385.db2.gz APCBZJWEWCXTJJ-MWLCHTKSSA-N 1 0 284.762 3.183 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000094370399 640794388 /nfs/dbraw/zinc/79/43/88/640794388.db2.gz FRGVYLLJEPTUKH-DLBZAZTESA-N 1 0 296.499 3.434 10 0 CGAERO [NH3+][C@@H]1CC[C@@H](c2nc(Cc3ccc(F)cc3Cl)no2)C1 ZINC000097068297 640855255 /nfs/dbraw/zinc/85/52/55/640855255.db2.gz QHHZFBKZSLJEIA-MWLCHTKSSA-N 1 0 295.745 3.048 10 0 CGAERO Clc1ccccc1-c1cc(C2CC[NH2+]CC2)[nH]n1 ZINC000082316257 177960470 /nfs/dbraw/zinc/96/04/70/177960470.db2.gz MTOWDIPETKKROJ-UHFFFAOYSA-N 1 0 261.756 3.197 10 0 CGAERO C[NH2+]Cc1sc(N2CCC(C)CC2)nc1C(C)C ZINC000082434864 178012454 /nfs/dbraw/zinc/01/24/54/178012454.db2.gz KBTSYGRGACEJTF-UHFFFAOYSA-N 1 0 267.442 3.222 10 0 CGAERO CC(C)(C)c1nc(Cc2ccccc2)sc1C[NH3+] ZINC000082438859 178017098 /nfs/dbraw/zinc/01/70/98/178017098.db2.gz QDONKEJBLNZCIS-UHFFFAOYSA-N 1 0 260.406 3.490 10 0 CGAERO CC1(C)C[C@@H]([NH2+]CCCn2ccnc2)c2ccccc2O1 ZINC000082504923 178069056 /nfs/dbraw/zinc/06/90/56/178069056.db2.gz VDHLSCBKSDFEJD-OAHLLOKOSA-N 1 0 285.391 3.165 10 0 CGAERO Cc1nc2n(n1)CCC[C@H]2[NH2+]C1CC2(C1)CCCCC2 ZINC000335233994 282105522 /nfs/dbraw/zinc/10/55/22/282105522.db2.gz VOWYUOHSRAYWDI-CQSZACIVSA-N 1 0 274.412 3.124 10 0 CGAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1cc(Br)ncc1F ZINC000273831567 192326021 /nfs/dbraw/zinc/32/60/21/192326021.db2.gz GATGMKDZOQQSSB-FWWHASMVSA-N 1 0 273.149 3.042 10 0 CGAERO O=C(c1ccc(Cc2ccccc2)cc1)[C@@H]1CCC[NH2+]1 ZINC000082723152 178238382 /nfs/dbraw/zinc/23/83/82/178238382.db2.gz UXUYYAWMAAZYMY-KRWDZBQOSA-N 1 0 265.356 3.212 10 0 CGAERO CC(C)[C@H]1C[N@H+](CCC2=CCCCC2)[C@@H](C)CN1 ZINC000083383846 178386885 /nfs/dbraw/zinc/38/68/85/178386885.db2.gz LLGJMDPTGKHHGS-GOEBONIOSA-N 1 0 250.430 3.195 10 0 CGAERO COc1cc2c(c(OC)c1OC(C)C)[C@@H](C(C)C)[NH2+]CC2 ZINC000096889073 185124004 /nfs/dbraw/zinc/12/40/04/185124004.db2.gz AYCRIRXJBQAKLU-OAHLLOKOSA-N 1 0 293.407 3.334 10 0 CGAERO C[NH2+][C@H](CCO)c1ccc(SC2CCCC2)cc1 ZINC000096891001 185124555 /nfs/dbraw/zinc/12/45/55/185124555.db2.gz RDHNTTZKSBHMHC-OAHLLOKOSA-N 1 0 265.422 3.364 10 0 CGAERO CC(C)[NH2+]C[C@H](O)c1ccc(SC(C)C)cc1 ZINC000096891030 185124618 /nfs/dbraw/zinc/12/46/18/185124618.db2.gz ULGGKFVATMXZPA-AWEZNQCLSA-N 1 0 253.411 3.219 10 0 CGAERO Cc1nccnc1[C@H](C)[NH2+]C[C@H]1Oc2ccccc2[C@H]1C ZINC000368291275 282222914 /nfs/dbraw/zinc/22/29/14/282222914.db2.gz RDBUACMNIXSDOE-PVXIVEMSSA-N 1 0 283.375 3.000 10 0 CGAERO C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCOc2ccccc21 ZINC000126694580 187256133 /nfs/dbraw/zinc/25/61/33/187256133.db2.gz BADYIFLDTXLAMJ-SUMWQHHRSA-N 1 0 283.371 3.437 10 0 CGAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623432653 349807543 /nfs/dbraw/zinc/80/75/43/349807543.db2.gz CPNLCWGVDYWRRB-UWVGGRQHSA-N 1 0 279.327 3.018 10 0 CGAERO C[NH2+][C@H]1CN(C2c3ccccc3CCc3ccccc32)[C@H]1C ZINC000022862899 344896662 /nfs/dbraw/zinc/89/66/62/344896662.db2.gz MWFKNMNRJKOXEF-LIRRHRJNSA-N 1 0 292.426 3.167 10 0 CGAERO COc1ccc(C[C@H](C)[NH3+])cc1OCc1ccccc1 ZINC000037728130 344952707 /nfs/dbraw/zinc/95/27/07/344952707.db2.gz OGDGNXJYFNKGPP-ZDUSSCGKSA-N 1 0 271.360 3.164 10 0 CGAERO Oc1ccc([C@@H]2OC3(CC[NH2+]CC3)c3ccccc32)cc1 ZINC000039206752 344958936 /nfs/dbraw/zinc/95/89/36/344958936.db2.gz ZHNZBJHCIDKMHY-KRWDZBQOSA-N 1 0 281.355 3.091 10 0 CGAERO COc1cccc(C[C@H]([NH3+])c2ccc3c(c2)CCC3)c1 ZINC000034939649 344941180 /nfs/dbraw/zinc/94/11/80/344941180.db2.gz IEBMDZPGXYSJRE-SFHVURJKSA-N 1 0 267.372 3.426 10 0 CGAERO Brc1cc(C[NH2+]C2CC2)oc1Br ZINC000050352903 345081617 /nfs/dbraw/zinc/08/16/17/345081617.db2.gz KOWYEMNQHBSOIB-UHFFFAOYSA-N 1 0 294.974 3.057 10 0 CGAERO [NH3+]C1(Cc2ccc(Br)s2)CCCC1 ZINC000053752894 345125022 /nfs/dbraw/zinc/12/50/22/345125022.db2.gz KLJGLFNZBVWZGK-UHFFFAOYSA-N 1 0 260.200 3.325 10 0 CGAERO CC(C)(C)[C@@H]([NH3+])Cc1cc(Br)cs1 ZINC000053819302 345125470 /nfs/dbraw/zinc/12/54/70/345125470.db2.gz ZEWRCUPWWUFPON-VIFPVBQESA-N 1 0 262.216 3.427 10 0 CGAERO C[NH2+][C@H](C)C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000054074989 345128728 /nfs/dbraw/zinc/12/87/28/345128728.db2.gz UQIJHJYZEOLDPF-BDAKNGLRSA-N 1 0 289.206 3.121 10 0 CGAERO CC(C)COc1ccccc1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054307617 345132558 /nfs/dbraw/zinc/13/25/58/345132558.db2.gz BEDSBNYCJGWPCR-AWEZNQCLSA-N 1 0 290.407 3.050 10 0 CGAERO [NH3+][C@@H](Cc1cc(Br)cs1)c1ccco1 ZINC000054455873 345135488 /nfs/dbraw/zinc/13/54/88/345135488.db2.gz IBGIRVJNBKQDKT-VIFPVBQESA-N 1 0 272.167 3.346 10 0 CGAERO Cc1cc2ccccc2nc1N1CCC(CC[NH3+])CC1 ZINC000063106757 345243137 /nfs/dbraw/zinc/24/31/37/345243137.db2.gz ZKUIQBWGDYJMOW-UHFFFAOYSA-N 1 0 269.392 3.108 10 0 CGAERO C[NH2+][C@@H]1CCCC[C@H]1c1occc1Br ZINC000068983345 345369575 /nfs/dbraw/zinc/36/95/75/345369575.db2.gz SRRMDDOVLAQFAQ-PSASIEDQSA-N 1 0 258.159 3.288 10 0 CGAERO CC(C)[C@H]([NH3+])c1cc(F)c(Br)cc1F ZINC000070472570 345390841 /nfs/dbraw/zinc/39/08/41/345390841.db2.gz RCGDXYZHKGOPRM-JTQLQIEISA-N 1 0 264.113 3.383 10 0 CGAERO C[C@H]1C[C@H](c2ccc(Br)cc2F)C[NH2+]1 ZINC000070586891 345392224 /nfs/dbraw/zinc/39/22/24/345392224.db2.gz TVYNQBPJGJBNRF-YUMQZZPRSA-N 1 0 258.134 3.054 10 0 CGAERO C[NH2+][C@H]1CC[C@@H](Cc2sccc2Br)C1 ZINC000070744264 345394900 /nfs/dbraw/zinc/39/49/00/345394900.db2.gz HMKOKSCZBBMUGJ-BDAKNGLRSA-N 1 0 274.227 3.441 10 0 CGAERO CC[C@@H]1Cc2c(F)ccc(Br)c2C[NH2+]1 ZINC000070821244 345396820 /nfs/dbraw/zinc/39/68/20/345396820.db2.gz VVKUSPDOYNJQEW-SSDOTTSWSA-N 1 0 258.134 3.013 10 0 CGAERO CCn1nc(C)c([C@H](C)[NH2+][C@H]2CCCSC2)c1C ZINC000132473656 232194597 /nfs/dbraw/zinc/19/45/97/232194597.db2.gz LISQPRKNQYUJMW-GWCFXTLKSA-N 1 0 267.442 3.066 10 0 CGAERO Cc1csc([C@@H](C)[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000623978012 349934286 /nfs/dbraw/zinc/93/42/86/349934286.db2.gz HFHPHJWUFLPRST-YVECIDJPSA-N 1 0 268.426 3.306 10 0 CGAERO C#[N+]c1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)OC(C)C)C3 ZINC000106047783 345929929 /nfs/dbraw/zinc/92/99/29/345929929.db2.gz DEYJLIPGDMERBE-LLVKDONJSA-N 1 0 283.331 3.320 10 0 CGAERO Cc1nc(C)n2c1[C@@H](CCc1cccc(C)c1C)[NH2+]CC2 ZINC000114153434 345963811 /nfs/dbraw/zinc/96/38/11/345963811.db2.gz VDSALXVRLJDYAM-QGZVFWFLSA-N 1 0 283.419 3.394 10 0 CGAERO CCCC(=O)N[C@H]1CCC[N@H+](C[C@@H](C)c2ccccc2)C1 ZINC000116878330 345980156 /nfs/dbraw/zinc/98/01/56/345980156.db2.gz OMMPPVUEMCNLJS-WBVHZDCISA-N 1 0 288.435 3.171 10 0 CGAERO C[C@@]1(c2ccc(NC(=O)c3ccccc3)cc2)CC[NH2+]C1 ZINC000117726955 345985603 /nfs/dbraw/zinc/98/56/03/345985603.db2.gz ORZAKNIXVRBZPG-GOSISDBHSA-N 1 0 280.371 3.190 10 0 CGAERO COc1ccc2[nH]c3c(ccc(CC[NH3+])c3C)c2c1 ZINC000118619859 345990470 /nfs/dbraw/zinc/99/04/70/345990470.db2.gz QFINALLOEGVFIG-UHFFFAOYSA-N 1 0 254.333 3.139 10 0 CGAERO c1ccc2c(c1)CC[NH2+][C@@H]2c1ccc2cccnc2c1 ZINC000130141445 346054468 /nfs/dbraw/zinc/05/44/68/346054468.db2.gz GYPGYHJSWLCHFA-GOSISDBHSA-N 1 0 260.340 3.470 10 0 CGAERO c1cn(C[C@@H]2CCC[N@@H+]2Cc2cccc3[nH]ccc32)cn1 ZINC000188406990 542248263 /nfs/dbraw/zinc/24/82/63/542248263.db2.gz IJKLBINBCIHEOL-HNNXBMFYSA-N 1 0 280.375 3.029 10 0 CGAERO C[NH2+][C@H](C)c1ccc(Br)cc1SC ZINC000132094134 346070161 /nfs/dbraw/zinc/07/01/61/346070161.db2.gz AOCZXEXVLPFLAE-SSDOTTSWSA-N 1 0 260.200 3.451 10 0 CGAERO [NH3+]C[C@H]1Cc2cccc(-c3ccccc3Cl)c2O1 ZINC000137251544 346093445 /nfs/dbraw/zinc/09/34/45/346093445.db2.gz VFMOOKQIEFOMKY-LLVKDONJSA-N 1 0 259.736 3.269 10 0 CGAERO [NH3+]C[C@@H]1Cc2cccc(-c3ccccc3Cl)c2O1 ZINC000137251506 346093455 /nfs/dbraw/zinc/09/34/55/346093455.db2.gz VFMOOKQIEFOMKY-NSHDSACASA-N 1 0 259.736 3.269 10 0 CGAERO O=C1CC[N@@H+]2CC(c3ccccc3)(c3ccccc3)C[C@@H]2C1 ZINC000141506702 346108305 /nfs/dbraw/zinc/10/83/05/346108305.db2.gz IWBIPQJCOGNSLR-SFHVURJKSA-N 1 0 291.394 3.410 10 0 CGAERO [NH3+]CCc1cc2cc(Br)cc(Cl)c2o1 ZINC000143512048 346114209 /nfs/dbraw/zinc/11/42/09/346114209.db2.gz QYKIDDLSJYYRQV-UHFFFAOYSA-N 1 0 274.545 3.350 10 0 CGAERO C[NH2+]C[C@@H]1Cc2cccc(-c3ccc(F)cc3)c2O1 ZINC000146416353 346123449 /nfs/dbraw/zinc/12/34/49/346123449.db2.gz QEUXJNJPISJWDL-AWEZNQCLSA-N 1 0 257.308 3.016 10 0 CGAERO Cc1cccc(CO[C@H]2C[NH2+]CC[C@@H]2c2ccoc2)c1 ZINC000147312314 346125631 /nfs/dbraw/zinc/12/56/31/346125631.db2.gz HNCBMNIJIFASAN-SJORKVTESA-N 1 0 271.360 3.250 10 0 CGAERO C[N@H+]1Cc2ccccc2[C@H](c2ncc3ccccc3n2)C1 ZINC000149323674 346130357 /nfs/dbraw/zinc/13/03/57/346130357.db2.gz VKOXAWMIVMBFGK-MRXNPFEDSA-N 1 0 275.355 3.207 10 0 CGAERO C/C(=C/c1ccc(Br)cc1Cl)C[NH3+] ZINC000161128382 346174338 /nfs/dbraw/zinc/17/43/38/346174338.db2.gz ZCMDWJTYEFVKIG-DAXSKMNVSA-N 1 0 260.562 3.465 10 0 CGAERO CCc1nnc(C[N@@H+]2CCC[C@@H](C(C)(C)C)CC2)n1C ZINC000172050414 346214509 /nfs/dbraw/zinc/21/45/09/346214509.db2.gz OCDFPJFLPUPQAJ-CYBMUJFWSA-N 1 0 278.444 3.026 10 0 CGAERO C[NH2+]C[C@@H]1Cc2cccc(-c3ccccc3C)c2O1 ZINC000167397189 346188842 /nfs/dbraw/zinc/18/88/42/346188842.db2.gz XTTDVCMQXBRVRJ-AWEZNQCLSA-N 1 0 253.345 3.185 10 0 CGAERO CC(C)C[C@@H]([NH3+])c1ccccc1I ZINC000169270097 346192659 /nfs/dbraw/zinc/19/26/59/346192659.db2.gz VTPMAYJBESOSTA-LLVKDONJSA-N 1 0 289.160 3.337 10 0 CGAERO CCc1cccc2c(CC[NH3+])c(C(F)(F)F)[nH]c21 ZINC000215156752 346288904 /nfs/dbraw/zinc/28/89/04/346288904.db2.gz RCIDKOJBAXNLIW-UHFFFAOYSA-N 1 0 256.271 3.250 10 0 CGAERO Cc1ccc([C@@H](C)[NH3+])cc1NC(=O)OC(C)(C)C ZINC000218026283 346291939 /nfs/dbraw/zinc/29/19/39/346291939.db2.gz SPQGPJXABHPEQC-SNVBAGLBSA-N 1 0 250.342 3.362 10 0 CGAERO CC[C@H]([NH3+])c1cc(Br)c(F)cc1OC ZINC000234047561 346330339 /nfs/dbraw/zinc/33/03/39/346330339.db2.gz QZJWISCKBBYXCG-VIFPVBQESA-N 1 0 262.122 3.007 10 0 CGAERO C[C@H](C[C@H](C)[NH3+])Nc1ncc(C(F)(F)F)cc1Cl ZINC000228267156 346313836 /nfs/dbraw/zinc/31/38/36/346313836.db2.gz QUQPVEVQJXNSCM-NKWVEPMBSA-N 1 0 281.709 3.292 10 0 CGAERO CC[C@@H]([NH3+])c1cccc(C)c1I ZINC000229298007 346317115 /nfs/dbraw/zinc/31/71/15/346317115.db2.gz ZFBNGXOUAHRAMO-SECBINFHSA-N 1 0 275.133 3.009 10 0 CGAERO Brc1csc(/C=C/[C@@H]2CCC[NH2+]2)c1 ZINC000229872082 346319112 /nfs/dbraw/zinc/31/91/12/346319112.db2.gz ROIWHBRCLQKEFL-NWALNABHSA-N 1 0 258.184 3.276 10 0 CGAERO [NH3+][C@@H]1C=C(c2occc2Br)CCCC1 ZINC000230166804 346319753 /nfs/dbraw/zinc/31/97/53/346319753.db2.gz OQTSLSKAPWWNJR-VIFPVBQESA-N 1 0 256.143 3.327 10 0 CGAERO [NH3+][C@@H](CC1CC1)c1sccc1I ZINC000238653779 346350371 /nfs/dbraw/zinc/35/03/71/346350371.db2.gz ZRNLWTUHMRXLDQ-QMMMGPOBSA-N 1 0 293.173 3.153 10 0 CGAERO [NH3+][C@@H]1CCOc2c(Cl)cc(Br)c(F)c21 ZINC000238614099 346350458 /nfs/dbraw/zinc/35/04/58/346350458.db2.gz GRGUEOJVAYZYOT-ZCFIWIBFSA-N 1 0 280.524 3.024 10 0 CGAERO C[C@H](C[NH3+])Nc1cc(Cl)c(Cl)cc1Cl ZINC000235465523 346335960 /nfs/dbraw/zinc/33/59/60/346335960.db2.gz CTJVAMMRZBZBRO-RXMQYKEDSA-N 1 0 253.560 3.406 10 0 CGAERO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000247223716 346369139 /nfs/dbraw/zinc/36/91/39/346369139.db2.gz XWEUUCARROZYFL-HIFRSBDPSA-N 1 0 279.355 3.162 10 0 CGAERO CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CCCCC[C@H]1O ZINC000252847845 346392680 /nfs/dbraw/zinc/39/26/80/346392680.db2.gz DHEOAZRHECQCTC-NUEKZKHPSA-N 1 0 277.408 3.430 10 0 CGAERO CC1(C)[C@H](c2csc(Br)c2)[C@@H]1C[NH3+] ZINC000306759491 346457444 /nfs/dbraw/zinc/45/74/44/346457444.db2.gz VNVMYFARRASICD-IONNQARKSA-N 1 0 260.200 3.209 10 0 CGAERO CC(C)(C)C(=[NH2+])NCc1ccc(Br)o1 ZINC000307254985 346460876 /nfs/dbraw/zinc/46/08/76/346460876.db2.gz YZAKDGHUKURCRH-UHFFFAOYSA-N 1 0 259.147 3.155 10 0 CGAERO Brc1cc([C@@H]2[NH2+]C[C@H]2C2CC2)cs1 ZINC000307383215 346462061 /nfs/dbraw/zinc/46/20/61/346462061.db2.gz CEWCWMVPXZOLGD-WPRPVWTQSA-N 1 0 258.184 3.181 10 0 CGAERO CCN1CC[C@H]([NH2+]C[C@@H](c2ccccc2)C(C)C)C1 ZINC000389130503 346573029 /nfs/dbraw/zinc/57/30/29/346573029.db2.gz FBTYVOHNHLIFNU-DLBZAZTESA-N 1 0 260.425 3.110 10 0 CGAERO Oc1ccccc1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000584649936 346704247 /nfs/dbraw/zinc/70/42/47/346704247.db2.gz BKJUDEFIABCIKD-OAHLLOKOSA-N 1 0 268.360 3.079 10 0 CGAERO CCC[NH+](CCC)CC(=O)Nc1c(C)cc(O)cc1C ZINC000584590843 346685815 /nfs/dbraw/zinc/68/58/15/346685815.db2.gz ZOZWCVBHYYKKTM-UHFFFAOYSA-N 1 0 278.396 3.070 10 0 CGAERO Clc1ccc2c(c1)O[C@@H](C[NH2+]Cc1ccccc1)CO2 ZINC000584615232 346693748 /nfs/dbraw/zinc/69/37/48/346693748.db2.gz MUEOXIATZVKDTC-AWEZNQCLSA-N 1 0 289.762 3.270 10 0 CGAERO C[C@@H](N[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccccn1)c1ccccn1 ZINC000584623721 346696728 /nfs/dbraw/zinc/69/67/28/346696728.db2.gz BPTDNJBDVYVZFT-SYMSYNOKSA-N 1 0 298.434 3.255 10 0 CGAERO COCC[NH2+]Cc1cc(C)ccc1OCCC(C)C ZINC000104077410 185894417 /nfs/dbraw/zinc/89/44/17/185894417.db2.gz XJBLHJOKSWDXSD-UHFFFAOYSA-N 1 0 265.397 3.156 10 0 CGAERO CCOC(=O)c1ccc([C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000616617359 348847481 /nfs/dbraw/zinc/84/74/81/348847481.db2.gz SZKBBMFPPNKDPN-MRXNPFEDSA-N 1 0 275.392 3.451 10 0 CGAERO [NH3+]C[C@@H](Sc1ccccc1)C(F)(F)C(F)(F)F ZINC000616568545 348833816 /nfs/dbraw/zinc/83/38/16/348833816.db2.gz CFJNLOCOGPBFLY-MRVPVSSYSA-N 1 0 271.254 3.304 10 0 CGAERO COc1ccc(Cl)cc1-c1cncc([C@@H]2CCC[NH2+]2)n1 ZINC000616579396 348834871 /nfs/dbraw/zinc/83/48/71/348834871.db2.gz QOXKVBXMXHVUEB-LBPRGKRZSA-N 1 0 289.766 3.230 10 0 CGAERO c1ccc2c(c1)CC[NH2+][C@H]2c1ccc2ccncc2c1 ZINC000616589111 348837932 /nfs/dbraw/zinc/83/79/32/348837932.db2.gz VJURVFFUVGDJTI-SFHVURJKSA-N 1 0 260.340 3.470 10 0 CGAERO CC[N@@H+]1CCO[C@H](c2ccc3ccccc3n2)CC1 ZINC000616592542 348838664 /nfs/dbraw/zinc/83/86/64/348838664.db2.gz FQRNXELYSGVJCO-INIZCTEOSA-N 1 0 256.349 3.018 10 0 CGAERO CC(C)(C)[N@@H+]1CCCOC[C@H]1c1ccc2nnccc2c1 ZINC000616598292 348840193 /nfs/dbraw/zinc/84/01/93/348840193.db2.gz WMYRHGJHORFMLP-INIZCTEOSA-N 1 0 285.391 3.192 10 0 CGAERO CC(C)(C)[N@@H+]1CCCOC[C@@H]1c1cccc2ccnnc21 ZINC000616599126 348841368 /nfs/dbraw/zinc/84/13/68/348841368.db2.gz HWNQEWOQBCPRMV-OAHLLOKOSA-N 1 0 285.391 3.192 10 0 CGAERO CC(C)(C)[N@@H+]1CCOCC[C@H]1c1ccc(F)cc1 ZINC000616598793 348841486 /nfs/dbraw/zinc/84/14/86/348841486.db2.gz RLFIJALMXJWMEN-AWEZNQCLSA-N 1 0 251.345 3.388 10 0 CGAERO CC[N@@H+]1CCCC[C@@H](c2cccc(NC(C)=O)c2)C1 ZINC000616604213 348843161 /nfs/dbraw/zinc/84/31/61/348843161.db2.gz BUEFOHXEJYTEMI-OAHLLOKOSA-N 1 0 260.381 3.234 10 0 CGAERO c1nc([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)c[nH]1 ZINC000616611388 348845907 /nfs/dbraw/zinc/84/59/07/348845907.db2.gz PNRDFHINPVBRDM-OAHLLOKOSA-N 1 0 255.365 3.179 10 0 CGAERO CC(C)[N@@H+]1CCCOC[C@@H]1c1cnc2ccccc2c1 ZINC000616644599 348854804 /nfs/dbraw/zinc/85/48/04/348854804.db2.gz ABUFFDIXLVDCHU-QGZVFWFLSA-N 1 0 270.376 3.407 10 0 CGAERO Nc1ccc([C@H]2COCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000616645766 348854879 /nfs/dbraw/zinc/85/48/79/348854879.db2.gz CAUCATNZIVBWBI-GOSISDBHSA-N 1 0 282.387 3.232 10 0 CGAERO CC(C)[N@@H+]1CCCOC[C@H]1c1cnc2ccccc2c1 ZINC000616644217 348854918 /nfs/dbraw/zinc/85/49/18/348854918.db2.gz ABUFFDIXLVDCHU-KRWDZBQOSA-N 1 0 270.376 3.407 10 0 CGAERO CC(C)[N@@H+]1CCOC[C@H]1c1ccc2ncccc2c1 ZINC000616641187 348854966 /nfs/dbraw/zinc/85/49/66/348854966.db2.gz DDQDOJWSYMRTOZ-INIZCTEOSA-N 1 0 256.349 3.017 10 0 CGAERO CC(C)(C)[N@@H+]1CCO[C@H](c2cccc3cnccc32)C1 ZINC000616648079 348855546 /nfs/dbraw/zinc/85/55/46/348855546.db2.gz OEFCJARDCMCLLN-INIZCTEOSA-N 1 0 270.376 3.407 10 0 CGAERO Nc1cccc([C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000616652684 348857021 /nfs/dbraw/zinc/85/70/21/348857021.db2.gz NJJAMEXFHMUSMM-SFHVURJKSA-N 1 0 282.387 3.232 10 0 CGAERO CC[N@@H+]1CCCO[C@@H](c2ccc3ccncc3c2)C1 ZINC000616652761 348857073 /nfs/dbraw/zinc/85/70/73/348857073.db2.gz JRSYSBRLTLILRA-MRXNPFEDSA-N 1 0 256.349 3.018 10 0 CGAERO c1cn([C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000616652828 348857191 /nfs/dbraw/zinc/85/71/91/348857191.db2.gz HEHFPTMAXMHBFA-MRXNPFEDSA-N 1 0 255.365 3.110 10 0 CGAERO C[N@@H+]1CCc2ccccc2[C@H]1c1cccc2ccnnc21 ZINC000616680574 348865785 /nfs/dbraw/zinc/86/57/85/348865785.db2.gz ZPDUBWOLOZUKBA-SFHVURJKSA-N 1 0 275.355 3.207 10 0 CGAERO CCCOCCO[C@H](c1sccc1C)[C@H]([NH3+])CC ZINC000104237883 185940233 /nfs/dbraw/zinc/94/02/33/185940233.db2.gz OJRBEGQJIODZGE-OLZOCXBDSA-N 1 0 271.426 3.278 10 0 CGAERO CCC(CC)[C@H](C)[NH2+]C[C@@H](O)c1ccccc1F ZINC000104435984 186000985 /nfs/dbraw/zinc/00/09/85/186000985.db2.gz GTZJAJACSHMKCQ-XHDPSFHLSA-N 1 0 253.361 3.273 10 0 CGAERO COc1ccccc1Sc1ccc(F)cc1CC[NH3+] ZINC000104436194 186001601 /nfs/dbraw/zinc/00/16/01/186001601.db2.gz FQSIHMRVMFJECV-UHFFFAOYSA-N 1 0 277.364 3.487 10 0 CGAERO NNc1[nH+]ccc(-c2ccc(Cl)cc2)c1Br ZINC000090613235 180013108 /nfs/dbraw/zinc/01/31/08/180013108.db2.gz KMXISQGMKACRTN-UHFFFAOYSA-N 1 0 298.571 3.450 10 0 CGAERO COCCCS[C@@H](c1ccc(C)cc1)[C@H](C)[NH3+] ZINC000104443044 186003716 /nfs/dbraw/zinc/00/37/16/186003716.db2.gz WTUYCEIENBXANE-GXTWGEPZSA-N 1 0 253.411 3.153 10 0 CGAERO CC1(C)CC(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)C1 ZINC000625225188 350144419 /nfs/dbraw/zinc/14/44/19/350144419.db2.gz NPNLGVQRTTVVAK-ZBFHGGJFSA-N 1 0 251.414 3.050 10 0 CGAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000120427178 186899129 /nfs/dbraw/zinc/89/91/29/186899129.db2.gz MTJWRIDXHWWQGV-PGUXBMHVSA-N 1 0 273.380 3.030 10 0 CGAERO COc1c(C[NH2+]CC2(CC(C)C)CCCC2)c(C)nn1C ZINC000122957620 187062451 /nfs/dbraw/zinc/06/24/51/187062451.db2.gz BJHPINNQAYQWOC-UHFFFAOYSA-N 1 0 293.455 3.433 10 0 CGAERO C[C@H](CCO)[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000132411284 187626173 /nfs/dbraw/zinc/62/61/73/187626173.db2.gz HNXVXTVPRPZFJM-PWQPVHBWSA-N 1 0 298.224 3.056 10 0 CGAERO OCc1ccc(C[NH+]2CCC(c3nccs3)CC2)cc1 ZINC000365011481 234075624 /nfs/dbraw/zinc/07/56/24/234075624.db2.gz PQHXGBDLCARXAE-UHFFFAOYSA-N 1 0 288.416 3.015 10 0 CGAERO C[C@H]1CCC[C@H](C(=O)Nc2cccc3c2C[NH2+]CC3)C1 ZINC000367505857 234221004 /nfs/dbraw/zinc/22/10/04/234221004.db2.gz DOJZCVDGGNTWPQ-JSGCOSHPSA-N 1 0 272.392 3.097 10 0 CGAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccccc2Cl)C1 ZINC000150851040 187929397 /nfs/dbraw/zinc/92/93/97/187929397.db2.gz KPPOZYGMFANRGX-RISCZKNCSA-N 1 0 295.814 3.190 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1ccc(F)cc1F 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Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CCOCCC(C)C ZINC000105922133 138353258 /nfs/dbraw/zinc/35/32/58/138353258.db2.gz BYHTXFUUGCNAQV-INIZCTEOSA-N 1 0 293.455 3.237 10 0 CGAERO O[C@@H]1c2ccccc2C[C@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000245966346 138528662 /nfs/dbraw/zinc/52/86/62/138528662.db2.gz DXMSNFPDQWNCHS-CEXWTWQISA-N 1 0 279.383 3.386 10 0 CGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1[C@H]3CCO[C@@H]3C1(C)C)CC2 ZINC000248199084 138551750 /nfs/dbraw/zinc/55/17/50/138551750.db2.gz XZHFYIUBAOGQDB-DZUCGIPZSA-N 1 0 271.404 3.385 10 0 CGAERO c1[nH]c2nccnc2c1C[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000329739496 202473928 /nfs/dbraw/zinc/47/39/28/202473928.db2.gz UWXPOPRHTAREFZ-GZBFAFLISA-N 1 0 284.407 3.358 10 0 CGAERO Cc1ccc(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1C ZINC000177083506 189027205 /nfs/dbraw/zinc/02/72/05/189027205.db2.gz ICXXVUCNBPOSJC-GOEBONIOSA-N 1 0 287.407 3.004 10 0 CGAERO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1nnc(C2CC2)n1C ZINC000177537147 189055566 /nfs/dbraw/zinc/05/55/66/189055566.db2.gz JEBCTJVBMLEXNW-CJNGLKHVSA-N 1 0 296.418 3.071 10 0 CGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1C/C=C/c1ccccc1 ZINC000178333866 189108121 /nfs/dbraw/zinc/10/81/21/189108121.db2.gz BTJZUZGOBWFCRL-YXOJNZSOSA-N 1 0 281.403 3.369 10 0 CGAERO CC[C@H]1CCCCN1C(=O)C[NH2+][C@H](C)c1cccs1 ZINC000180386394 189252841 /nfs/dbraw/zinc/25/28/41/189252841.db2.gz VCCHLGFXYIZJKO-OLZOCXBDSA-N 1 0 280.437 3.190 10 0 CGAERO C[C@@H](NCC[C@@H]1CCC[N@@H+]1C)c1ccc(F)c(F)c1 ZINC000181641622 189303195 /nfs/dbraw/zinc/30/31/95/189303195.db2.gz JVTZLZFOJBFNNC-YPMHNXCESA-N 1 0 268.351 3.100 10 0 CGAERO COc1ccccc1CCC[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000182434941 189323141 /nfs/dbraw/zinc/32/31/41/189323141.db2.gz AAMHBQHWVYOVBY-KRWDZBQOSA-N 1 0 299.418 3.198 10 0 CGAERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1ccccn1 ZINC000301612090 201094691 /nfs/dbraw/zinc/09/46/91/201094691.db2.gz FNGSXEHOYJGPEE-GOEBONIOSA-N 1 0 267.376 3.014 10 0 CGAERO Cc1[nH+]c2ccccc2c(NC[C@H](O)c2ccncc2)c1C ZINC000302084948 201337411 /nfs/dbraw/zinc/33/74/11/201337411.db2.gz MZHHJIPVMYXXRH-KRWDZBQOSA-N 1 0 293.370 3.392 10 0 CGAERO C[C@H]1[C@H](C(F)(F)F)CCC[N@@H+]1CC1CCOCC1 ZINC000335216448 291295689 /nfs/dbraw/zinc/29/56/89/291295689.db2.gz SNOFUQPGTDAOAX-CMPLNLGQSA-N 1 0 265.319 3.076 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000120364006 370761552 /nfs/dbraw/zinc/76/15/52/370761552.db2.gz VACURKYLFGYGTM-GDBMZVCRSA-N 1 0 280.460 3.091 10 0 CGAERO CCOc1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000120863978 370807045 /nfs/dbraw/zinc/80/70/45/370807045.db2.gz IPUABYPELRPIDA-DLBZAZTESA-N 1 0 275.392 3.229 10 0 CGAERO Cc1ccc2cc(C[NH2+]C[C@H](O)C(C)(C)C)ccc2n1 ZINC000275549714 193072841 /nfs/dbraw/zinc/07/28/41/193072841.db2.gz BNSBMCZMDWNMQY-INIZCTEOSA-N 1 0 272.392 3.040 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCC(C)(C)C[C@@H]1C)c1nnc2n1CCCC2 ZINC000131180162 299363270 /nfs/dbraw/zinc/36/32/70/299363270.db2.gz VRPYKTKJXQXVOX-MELADBBJSA-N 1 0 290.455 3.480 10 0 CGAERO Cn1cc([C@H]2CC[N@H+](CCCC3CCCC3)C2)cn1 ZINC000121185409 370837401 /nfs/dbraw/zinc/83/74/01/370837401.db2.gz MIBQEHVGUWLELO-HNNXBMFYSA-N 1 0 261.413 3.180 10 0 CGAERO C[C@@H]1C[C@H](C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC(C)(C)C1 ZINC000248591508 297326051 /nfs/dbraw/zinc/32/60/51/297326051.db2.gz RUKDQKGQQLXLTL-QLFBSQMISA-N 1 0 280.456 3.001 10 0 CGAERO CCOc1c(C[NH2+]C(C)C)cc(Cl)cc1OC ZINC000010436430 368582214 /nfs/dbraw/zinc/58/22/14/368582214.db2.gz PWWXRKVDXATJRR-UHFFFAOYSA-N 1 0 257.761 3.245 10 0 CGAERO COc1ccc([C@H]2CC[NH2+]C2)cc1OC1CCCC1 ZINC000013741097 368664559 /nfs/dbraw/zinc/66/45/59/368664559.db2.gz WIPHPWZXIKOWIF-ZDUSSCGKSA-N 1 0 261.365 3.094 10 0 CGAERO CCCSc1cc(OC)c(C[C@H](C)[NH3+])cc1OC ZINC000013641736 368660029 /nfs/dbraw/zinc/66/00/29/368660029.db2.gz XHWDHFUBCVWXDZ-JTQLQIEISA-N 1 0 269.410 3.096 10 0 CGAERO C[N@@H+]1CCc2ccccc2Cc2c(O)cccc2CC1 ZINC000013684118 368660801 /nfs/dbraw/zinc/66/08/01/368660801.db2.gz YAOWMUKUYWGVDH-UHFFFAOYSA-N 1 0 267.372 3.013 10 0 CGAERO 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CCC1(CC)[C@H]([NH3+])[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]21 ZINC000669384300 543103707 /nfs/dbraw/zinc/10/37/07/543103707.db2.gz RZPCOBDDPBRVCI-XQQFMLRXSA-N 1 0 282.428 3.149 10 0 CGAERO Cc1ccc([C@H](C)N(C)C(=O)C2CCC([NH3+])CC2)cc1 ZINC000037808110 397608921 /nfs/dbraw/zinc/60/89/21/397608921.db2.gz NGSLOFVZNYVJKP-JEYLPNPQSA-N 1 0 274.408 3.032 10 0 CGAERO C[C@@H](COCc1ccccc1)[NH2+]C[C@H](O)CC1CCCC1 ZINC000390645813 397692352 /nfs/dbraw/zinc/69/23/52/397692352.db2.gz QBNQASPRMHUNPN-MAUKXSAKSA-N 1 0 291.435 3.123 10 0 CGAERO CC(C)c1ccc([C@H](C)[NH2+][C@H]2CN(C)C[C@H]2C)cc1 ZINC000674877482 543302358 /nfs/dbraw/zinc/30/23/58/543302358.db2.gz UNCPGUSPZHVKMN-KEYYUXOJSA-N 1 0 260.425 3.411 10 0 CGAERO CC(C)CCN(CCC(C)C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307810 286942394 /nfs/dbraw/zinc/94/23/94/286942394.db2.gz YKMWUVNIWWYNBX-MRXNPFEDSA-N 1 0 282.472 3.297 10 0 CGAERO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H](C)C2CCCC2)c1 ZINC000070306481 286987972 /nfs/dbraw/zinc/98/79/72/286987972.db2.gz 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/nfs/dbraw/zinc/12/01/10/165120110.db2.gz QKMAKQXQZGZOBX-JSGCOSHPSA-N 1 0 272.348 3.061 10 0 CGAERO c1cc(C[NH2+]Cc2ccnc(N3CCCCCC3)c2)c[nH]1 ZINC000086253281 165180009 /nfs/dbraw/zinc/18/00/09/165180009.db2.gz VFXYHLIEJHOMTB-UHFFFAOYSA-N 1 0 284.407 3.080 10 0 CGAERO CC1(C)Cc2cccc(C[NH2+]C[C@@H]3CCCC[C@@H]3O)c2O1 ZINC000085970430 165181895 /nfs/dbraw/zinc/18/18/95/165181895.db2.gz RVBCLTMPHRPUTQ-HOCLYGCPSA-N 1 0 289.419 3.041 10 0 CGAERO CCCn1ccc(C[NH2+]CCOC2CCCCC2)c1 ZINC000091015816 165252636 /nfs/dbraw/zinc/25/26/36/165252636.db2.gz VRMLCHDNYRIQPQ-UHFFFAOYSA-N 1 0 264.413 3.337 10 0 CGAERO CCC[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1ccc(Cl)cc1 ZINC000091667031 165266038 /nfs/dbraw/zinc/26/60/38/165266038.db2.gz WLRURNVUXCWMGU-JKSUJKDBSA-N 1 0 296.842 3.101 10 0 CGAERO C[NH2+]Cc1cccc(NC(=O)c2ccc(SC)cc2)c1 ZINC000092231764 165286872 /nfs/dbraw/zinc/28/68/72/165286872.db2.gz RRDIVBXHTJXCOF-UHFFFAOYSA-N 1 0 286.400 3.380 10 0 CGAERO C[NH2+]Cc1cccc(NC(=O)c2ccccc2SC)c1 ZINC000092231763 165287077 /nfs/dbraw/zinc/28/70/77/165287077.db2.gz BYCDDRWXOCMBOK-UHFFFAOYSA-N 1 0 286.400 3.380 10 0 CGAERO OCCC[C@H]1CCC[N@@H+]1Cc1ccc(F)c(Cl)c1 ZINC000092784864 165313958 /nfs/dbraw/zinc/31/39/58/165313958.db2.gz MVGUUVNQMQVNTR-GFCCVEGCSA-N 1 0 271.763 3.216 10 0 CGAERO CCCCC1CCC(C(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000093873205 165338321 /nfs/dbraw/zinc/33/83/21/165338321.db2.gz QCUZWRYWGAVONQ-UHFFFAOYSA-N 1 0 282.472 3.426 10 0 CGAERO CCC(CC)N(CC(C)C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000093310351 287115335 /nfs/dbraw/zinc/11/53/35/287115335.db2.gz AKYJKSBCPDFAJK-AWEZNQCLSA-N 1 0 268.445 3.049 10 0 CGAERO C[C@@H]([NH2+]C1CCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000110551184 287131711 /nfs/dbraw/zinc/13/17/11/287131711.db2.gz PVQMENTVSHGMEF-OLZOCXBDSA-N 1 0 282.428 3.164 10 0 CGAERO Cc1ccc(CCC2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000110912728 287132145 /nfs/dbraw/zinc/13/21/45/287132145.db2.gz JMGAVYWWRJCEJR-UHFFFAOYSA-N 1 0 275.436 3.411 10 0 CGAERO CC[NH+](CC)[C@H](COC(=O)c1ccc(N)cc1)CC(C)C ZINC000001846416 169759397 /nfs/dbraw/zinc/75/93/97/169759397.db2.gz MLHBDHJHNDJBLI-INIZCTEOSA-N 1 0 292.423 3.182 10 0 in-man CGAERO CCOc1cc([C@H]2CCC[NH2+]2)cc(OCC)c1OCC ZINC000003732386 169909475 /nfs/dbraw/zinc/90/94/75/169909475.db2.gz NMDAGHBVKQIYTE-CYBMUJFWSA-N 1 0 279.380 3.307 10 0 CGAERO CC(C)[C@H](C)CC(C)(C)n1nc(-c2ccccc2)n[n+]1C ZINC000005384601 170092724 /nfs/dbraw/zinc/09/27/24/170092724.db2.gz KQLJOXTUBWLQCV-CQSZACIVSA-N 1 0 287.431 3.187 10 0 CGAERO CC[C@H](C)c1cc(OC)c(C[C@H](C)[NH3+])cc1OC ZINC000005925475 170156035 /nfs/dbraw/zinc/15/60/35/170156035.db2.gz VEQUTPSVRQTUHR-QWRGUYRKSA-N 1 0 251.370 3.107 10 0 CGAERO COc1ccccc1C[C@@H]([NH3+])Cc1cccc(Cl)c1 ZINC000011600929 170425477 /nfs/dbraw/zinc/42/54/77/170425477.db2.gz REGOXPQBXILFPS-HNNXBMFYSA-N 1 0 275.779 3.461 10 0 CGAERO C[C@H]([NH3+])Cc1nc(-c2ccc(Cl)cc2)cs1 ZINC000011883722 170452163 /nfs/dbraw/zinc/45/21/63/170452163.db2.gz ZKPMESNBRCQPTQ-QMMMGPOBSA-N 1 0 252.770 3.353 10 0 CGAERO [NH3+]Cc1ccc(COc2cccc(Br)c2)cc1 ZINC000011945610 170460331 /nfs/dbraw/zinc/46/03/31/170460331.db2.gz OZFIRUVDJGQFMK-UHFFFAOYSA-N 1 0 292.176 3.487 10 0 CGAERO C[C@@H]([NH2+]Cc1cc(Cl)ccc1F)[C@H]1CCCO1 ZINC000125195861 287241327 /nfs/dbraw/zinc/24/13/27/287241327.db2.gz WECWYDBPEDJFMF-NOZJJQNGSA-N 1 0 257.736 3.136 10 0 CGAERO CCOc1ccc(OCc2cc(C[NH3+])ccc2F)cc1 ZINC000019281088 170771745 /nfs/dbraw/zinc/77/17/45/170771745.db2.gz BWAKYKZMZWMTSX-UHFFFAOYSA-N 1 0 275.323 3.262 10 0 CGAERO CC(C)COC[C@@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000019407811 170787392 /nfs/dbraw/zinc/78/73/92/170787392.db2.gz NQHWFMIXWMYBLL-IBHBGHMQSA-N 1 0 251.414 3.203 10 0 CGAERO Cc1ccc(Cl)c(NC(=O)[C@H]2CCC[NH2+]C2)c1Cl ZINC000019408408 170788017 /nfs/dbraw/zinc/78/80/17/170788017.db2.gz YKFIBVKPQHRFES-VIFPVBQESA-N 1 0 287.190 3.240 10 0 CGAERO COc1ccc([C@H]2[NH2+]CCc3ccc(C)cc32)cc1OC ZINC000019625176 170831266 /nfs/dbraw/zinc/83/12/66/170831266.db2.gz SHHJYZVWXAKWRS-GOSISDBHSA-N 1 0 283.371 3.247 10 0 CGAERO [NH3+][C@H](Cc1ccccc1F)c1ccc(F)c(F)c1 ZINC000019968383 170950664 /nfs/dbraw/zinc/95/06/64/170950664.db2.gz CHUGNQXVUXNPHR-CQSZACIVSA-N 1 0 251.251 3.346 10 0 CGAERO c1coc([C@@H](NCC[NH+]2CCCC2)c2ccccc2)c1 ZINC000020126938 171011656 /nfs/dbraw/zinc/01/16/56/171011656.db2.gz WKYNYDLKBYGPLA-KRWDZBQOSA-N 1 0 270.376 3.054 10 0 CGAERO CC(C)[C@H](C[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC000020145409 171030441 /nfs/dbraw/zinc/03/04/41/171030441.db2.gz HZHDJLKIUPCHIJ-AWEZNQCLSA-N 1 0 254.805 3.016 10 0 CGAERO CC(C)[C@H](CN[C@H](C)c1ccccc1F)[NH+](C)C ZINC000020145642 171030777 /nfs/dbraw/zinc/03/07/77/171030777.db2.gz KPTWNEKVLSDALK-DOMZBBRYSA-N 1 0 252.377 3.063 10 0 CGAERO CSc1ccc(C[NH2+]C[C@@H](C(C)C)N(C)C)cc1 ZINC000020145929 171031867 /nfs/dbraw/zinc/03/18/67/171031867.db2.gz VQMQOWWGAAGTIV-HNNXBMFYSA-N 1 0 266.454 3.084 10 0 CGAERO CC(=O)NCC[NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000020148839 171036524 /nfs/dbraw/zinc/03/65/24/171036524.db2.gz LLZOIRRUILBGKH-AWEZNQCLSA-N 1 0 282.387 3.140 10 0 CGAERO COc1cccc([C@H](CN)[N@H+](C)CC2CCCCC2)c1 ZINC000020225835 171089842 /nfs/dbraw/zinc/08/98/42/171089842.db2.gz KRLVCGDCMPZPDT-KRWDZBQOSA-N 1 0 276.424 3.207 10 0 CGAERO C[NH+]1CCC(Nc2cccc(Cl)c2Cl)CC1 ZINC000020245737 171099253 /nfs/dbraw/zinc/09/92/53/171099253.db2.gz PUVFUMKNVSQCGI-UHFFFAOYSA-N 1 0 259.180 3.500 10 0 CGAERO Cc1ccc(O[C@H]2CCc3ccccc3[C@@H]2[NH3+])cc1 ZINC000020262729 171120897 /nfs/dbraw/zinc/12/08/97/171120897.db2.gz RARVJSLUFPDKCW-IRXDYDNUSA-N 1 0 253.345 3.389 10 0 CGAERO Cc1ccc(NC(=O)C[C@@H]([NH3+])c2ccccc2)c(F)c1 ZINC000020372518 171168971 /nfs/dbraw/zinc/16/89/71/171168971.db2.gz FOWRQCBAMLYTEU-CQSZACIVSA-N 1 0 272.323 3.163 10 0 CGAERO CCC[C@@H]([NH3+])c1cc(OC)c(OC)cc1Br ZINC000020426261 171192833 /nfs/dbraw/zinc/19/28/33/171192833.db2.gz UGCRSWBCEQUTTD-SNVBAGLBSA-N 1 0 288.185 3.266 10 0 CGAERO Cc1ccsc1[C@H]([NH3+])Cc1nc2ccccc2o1 ZINC000020427584 171193401 /nfs/dbraw/zinc/19/34/01/171193401.db2.gz GXCVYWKHLNXOFI-SNVBAGLBSA-N 1 0 258.346 3.440 10 0 CGAERO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[NH3+] ZINC000020470277 171212125 /nfs/dbraw/zinc/21/21/25/171212125.db2.gz ZFCYWJCSOSRSMY-UHFFFAOYSA-N 1 0 279.343 3.432 10 0 CGAERO CCCC[C@@H](CC)[C@@H]([NH3+])c1ccc2c(c1)CC(=O)N2 ZINC000020482492 171222928 /nfs/dbraw/zinc/22/29/28/171222928.db2.gz HHJXKBPYAKYJQD-BDJLRTHQSA-N 1 0 260.381 3.397 10 0 CGAERO CCC[NH2+]CCCOc1ccc(F)cc1Br ZINC000020525406 171238008 /nfs/dbraw/zinc/23/80/08/171238008.db2.gz WYTNHJUIUFDYSC-UHFFFAOYSA-N 1 0 290.176 3.357 10 0 CGAERO C[C@@H]1C[C@@H]([NH2+]CCCOC[C@@H]2CCCO2)CC(C)(C)C1 ZINC000020546518 171244051 /nfs/dbraw/zinc/24/40/51/171244051.db2.gz RDKKBRMYNJWEIS-OAGGEKHMSA-N 1 0 283.456 3.377 10 0 CGAERO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000020549938 171246748 /nfs/dbraw/zinc/24/67/48/171246748.db2.gz DPDUBKNTTXKYDU-RYUDHWBXSA-N 1 0 261.365 3.330 10 0 CGAERO CCN(c1ccccc1C)[C@@H](C[NH3+])Cc1ccccc1 ZINC000020552212 171247578 /nfs/dbraw/zinc/24/75/78/171247578.db2.gz HCDNCOQXPHTLHY-QGZVFWFLSA-N 1 0 268.404 3.391 10 0 CGAERO CCc1ccc([C@@H](N)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000020556201 171249763 /nfs/dbraw/zinc/24/97/63/171249763.db2.gz CWJDDWMGJNOMJF-CPUCHLNUSA-N 1 0 260.425 3.227 10 0 CGAERO CCCOc1ccc(C[NH2+]CCCOCC)cc1OCC ZINC000020933273 171280759 /nfs/dbraw/zinc/28/07/59/171280759.db2.gz RDFUWMODMQZSQB-UHFFFAOYSA-N 1 0 295.423 3.390 10 0 CGAERO [NH3+][C@H]1CCCCCC[C@H]1Oc1ccc(F)cc1F ZINC000021013927 171288990 /nfs/dbraw/zinc/28/89/90/171288990.db2.gz LVTQDBVYZKDETE-GXTWGEPZSA-N 1 0 255.308 3.394 10 0 CGAERO CCCOc1ccc([C@@H](N)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000021787168 171322859 /nfs/dbraw/zinc/32/28/59/171322859.db2.gz WVTAJYGXZXOOHO-RKVPGOIHSA-N 1 0 290.451 3.453 10 0 CGAERO CCCOc1ccc([C@H](N)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000021787165 171323012 /nfs/dbraw/zinc/32/30/12/171323012.db2.gz WVTAJYGXZXOOHO-RVKKMQEKSA-N 1 0 290.451 3.453 10 0 CGAERO CC(C)[C@H]1CC[C@H](C)C[C@@H]1[NH2+]CC(C)(C)N1CCOCC1 ZINC000021791522 171324174 /nfs/dbraw/zinc/32/41/74/171324174.db2.gz QBYQQHSFRIXGSA-BBWFWOEESA-N 1 0 296.499 3.148 10 0 CGAERO CC[N@H+]([C@@H](CN)c1cccc(OC)c1)C1CCCCC1 ZINC000022168989 171367155 /nfs/dbraw/zinc/36/71/55/171367155.db2.gz QCZZDVZHRZZKII-KRWDZBQOSA-N 1 0 276.424 3.350 10 0 CGAERO CN(c1ccccc1)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000022172148 171368539 /nfs/dbraw/zinc/36/85/39/171368539.db2.gz BKFWEHUMJNZVPZ-HNNXBMFYSA-N 1 0 260.768 3.476 10 0 CGAERO Cc1cc(N)ccc1NC(=O)CC[NH+]1[C@H](C)CCC[C@H]1C ZINC000022173015 171368678 /nfs/dbraw/zinc/36/86/78/171368678.db2.gz KSSRYBZUZGBANL-ZIAGYGMSSA-N 1 0 289.423 3.169 10 0 CGAERO Cc1cccc(C(=O)Nc2cccc([C@H](C)[NH3+])c2)c1 ZINC000022174291 171369285 /nfs/dbraw/zinc/36/92/85/171369285.db2.gz ZYPQRGZJHWAOGD-LBPRGKRZSA-N 1 0 254.333 3.267 10 0 CGAERO NC[C@H](c1cccc2ccccc21)[NH+]1CCCCC1 ZINC000022176040 171370337 /nfs/dbraw/zinc/37/03/37/171370337.db2.gz BOKXVFGVLFRDLM-QGZVFWFLSA-N 1 0 254.377 3.326 10 0 CGAERO C[C@H]([NH3+])c1ccccc1NC(=O)c1ccccc1F ZINC000022177210 171370904 /nfs/dbraw/zinc/37/09/04/171370904.db2.gz PPAWPKAURVZCLN-JTQLQIEISA-N 1 0 258.296 3.098 10 0 CGAERO C[C@@H]1C[C@H](C)CN([C@@H](C[NH3+])c2ccc(OC(F)F)cc2)C1 ZINC000022214446 171375013 /nfs/dbraw/zinc/37/50/13/171375013.db2.gz GORFXAKUQZSOHN-ZOWXZIJZSA-N 1 0 298.377 3.266 10 0 CGAERO C[C@@H]([NH3+])c1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000022222306 171378787 /nfs/dbraw/zinc/37/87/87/171378787.db2.gz FXOYXMNKINICRK-CYBMUJFWSA-N 1 0 268.360 3.278 10 0 CGAERO C[C@H]1CCCCN1[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000022223390 171379032 /nfs/dbraw/zinc/37/90/32/171379032.db2.gz HDZPMIDOIIXGMA-FZMZJTMJSA-N 1 0 252.789 3.214 10 0 CGAERO [NH3+][C@H]1CC[C@H](c2ccccc2)C[C@@H]1OCC(F)(F)F ZINC000022565160 171391971 /nfs/dbraw/zinc/39/19/71/171391971.db2.gz WNTKJLMOEHTZAW-AVGNSLFASA-N 1 0 273.298 3.229 10 0 CGAERO COc1ccccc1[C@@H]([NH3+])COc1cc(C)ccc1C ZINC000022566337 171392240 /nfs/dbraw/zinc/39/22/40/171392240.db2.gz CYWRNQAWESLSTM-HNNXBMFYSA-N 1 0 271.360 3.391 10 0 CGAERO Cc1ccc(COC[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000028521794 171561312 /nfs/dbraw/zinc/56/13/12/171561312.db2.gz MQXGGIKHQNSTGD-KRWDZBQOSA-N 1 0 255.361 3.082 10 0 CGAERO CCc1[nH]c2ccc(OC)cc2c1C1=CC[NH2+]CC1 ZINC000028526365 171562208 /nfs/dbraw/zinc/56/22/08/171562208.db2.gz ZRHHDPLEPUUZIZ-UHFFFAOYSA-N 1 0 256.349 3.116 10 0 CGAERO Cc1cccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH3+])c1 ZINC000032629322 171740803 /nfs/dbraw/zinc/74/08/03/171740803.db2.gz RUNXGQHSGMQABU-GJZGRUSLSA-N 1 0 290.407 3.047 10 0 CGAERO CC[NH2+]Cc1cc(Cl)ccc1OCC(F)(F)F ZINC000034815304 171868565 /nfs/dbraw/zinc/86/85/65/171868565.db2.gz MQLIEFYRPBENDG-UHFFFAOYSA-N 1 0 267.678 3.391 10 0 CGAERO CC[C@H]([NH2+]C)c1ccccc1OCc1cccnc1 ZINC000034818207 171871204 /nfs/dbraw/zinc/87/12/04/171871204.db2.gz CQVVWPBUARHIAS-HNNXBMFYSA-N 1 0 256.349 3.331 10 0 CGAERO CC[C@H]([NH2+]C)c1ccc(OCc2cccnc2)cc1 ZINC000034822665 171876206 /nfs/dbraw/zinc/87/62/06/171876206.db2.gz CTLOBYZNEPPVLY-INIZCTEOSA-N 1 0 256.349 3.331 10 0 CGAERO Cc1cc([C@H]2C[NH2+]C[C@H](c3ccccc3)O2)c(C)o1 ZINC000035285223 172103727 /nfs/dbraw/zinc/10/37/27/172103727.db2.gz XFSXXLWNDTWFBN-HZPDHXFCSA-N 1 0 257.333 3.299 10 0 CGAERO COc1ccc(Br)cc1[C@H]([NH3+])c1ccoc1C ZINC000035381728 172164816 /nfs/dbraw/zinc/16/48/16/172164816.db2.gz LYJPEBYMIWBOHT-CYBMUJFWSA-N 1 0 296.164 3.407 10 0 CGAERO C[NH2+][C@@H](c1ccc(F)cc1)c1ccc(F)cc1F ZINC000035463785 172211764 /nfs/dbraw/zinc/21/17/64/172211764.db2.gz NLVUTDVZIQFXGI-AWEZNQCLSA-N 1 0 251.251 3.413 10 0 CGAERO CC[C@H](C)[C@H]([NH2+]C)c1ccc2c(c1)CCCC(=O)N2 ZINC000035503370 172237348 /nfs/dbraw/zinc/23/73/48/172237348.db2.gz TXBBUQVQKLOWMH-ZBEGNZNMSA-N 1 0 260.381 3.268 10 0 CGAERO CC[NH2+][C@@H](c1ccc(OC)cc1)c1ccc2c(c1)CCO2 ZINC000035542439 172249897 /nfs/dbraw/zinc/24/98/97/172249897.db2.gz RBBQGJJMOGPYBE-SFHVURJKSA-N 1 0 283.371 3.329 10 0 CGAERO CC[NH2+][C@@H](c1ccsc1)c1ccc2c(c1)CCO2 ZINC000035542148 172250133 /nfs/dbraw/zinc/25/01/33/172250133.db2.gz LYHICKOJDNMEOY-OAHLLOKOSA-N 1 0 259.374 3.382 10 0 CGAERO CC[NH2+][C@@H](c1cc2c(cc1Cl)OCCO2)C(C)C ZINC000035557725 172263905 /nfs/dbraw/zinc/26/39/05/172263905.db2.gz GZNKNPLHHDCUCP-CQSZACIVSA-N 1 0 269.772 3.418 10 0 CGAERO CCSc1nc2ccccc2n1C[NH+](CC)CC ZINC000035575575 172272267 /nfs/dbraw/zinc/27/22/67/172272267.db2.gz ZKTQUGDPHMEEMZ-UHFFFAOYSA-N 1 0 263.410 3.448 10 0 CGAERO CCC[NH2+][C@@H](Cc1ncc[nH]1)c1ccc(Cl)cc1F ZINC000035586494 172285760 /nfs/dbraw/zinc/28/57/60/172285760.db2.gz ANGGTMREPLJSFZ-ZDUSSCGKSA-N 1 0 281.762 3.486 10 0 CGAERO Fc1cc(Br)cc2c1OCC[C@H]2[NH2+]C1CC1 ZINC000035653864 172330167 /nfs/dbraw/zinc/33/01/67/172330167.db2.gz HBQQGXLXGHUZAM-LLVKDONJSA-N 1 0 286.144 3.164 10 0 CGAERO Cc1ccc([C@H](C[NH3+])N(C)Cc2ccco2)c(C)c1 ZINC000035701306 172369205 /nfs/dbraw/zinc/36/92/05/172369205.db2.gz YFNGJLTYCXOQIV-INIZCTEOSA-N 1 0 258.365 3.028 10 0 CGAERO CN(Cc1cccs1)[C@@H](C[NH3+])c1ccccc1F ZINC000035716895 172371292 /nfs/dbraw/zinc/37/12/92/172371292.db2.gz BPHZNBXRRSWXLV-AWEZNQCLSA-N 1 0 264.369 3.019 10 0 CGAERO Cc1ccsc1[C@H](C[NH3+])N(C)Cc1ccsc1 ZINC000035718849 172373185 /nfs/dbraw/zinc/37/31/85/172373185.db2.gz QWOLEDWXRXRUSC-LBPRGKRZSA-N 1 0 266.435 3.250 10 0 CGAERO CC(C)CSCCCOc1cccc(C[NH3+])c1 ZINC000035721845 172377555 /nfs/dbraw/zinc/37/75/55/172377555.db2.gz LEVKYNVRIHXIJG-UHFFFAOYSA-N 1 0 253.411 3.303 10 0 CGAERO CCC[C@@H]1CC[C@@H](C[NH3+])[C@H](Sc2nncs2)C1 ZINC000035724544 172379301 /nfs/dbraw/zinc/37/93/01/172379301.db2.gz SORYFJBDJHRRQQ-OUAUKWLOSA-N 1 0 271.455 3.174 10 0 CGAERO CCC[C@H]1[NH2+]CCc2cc(OCC)c(OCC)cc21 ZINC000036156167 172478593 /nfs/dbraw/zinc/47/85/93/172478593.db2.gz DGJPFHUIUNWMRU-CQSZACIVSA-N 1 0 263.381 3.471 10 0 CGAERO CCC[NH2+][C@@H](C)c1ccc(SCCC(=O)OC)cc1 ZINC000036336523 172620465 /nfs/dbraw/zinc/62/04/65/172620465.db2.gz MFMGSONMCXYMQO-LBPRGKRZSA-N 1 0 281.421 3.402 10 0 CGAERO O[C@@H]1CCC[C@@H]([NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000037166144 173000721 /nfs/dbraw/zinc/00/07/21/173000721.db2.gz SUHPRNLTXXURIZ-FKZOYECMSA-N 1 0 279.811 3.479 10 0 CGAERO CCC[N@@H+]1CCC[C@H]([C@@H](C)Nc2cccc(O)c2)C1 ZINC000037221555 173042546 /nfs/dbraw/zinc/04/25/46/173042546.db2.gz FBDMTGLHGBNTNG-KGLIPLIRSA-N 1 0 262.397 3.315 10 0 CGAERO C[C@@H]([NH2+]CC1CCCC1)c1ccc(NC(N)=O)cc1 ZINC000037255027 173066349 /nfs/dbraw/zinc/06/63/49/173066349.db2.gz BSYAVDSMLPCMPO-LLVKDONJSA-N 1 0 261.369 3.018 10 0 CGAERO Cc1ccc([C@H]([NH3+])c2ccc3c(c2)CCCC(=O)N3)cc1 ZINC000037371299 173160841 /nfs/dbraw/zinc/16/08/41/173160841.db2.gz KPRCUWRYNROJRD-SFHVURJKSA-N 1 0 280.371 3.318 10 0 CGAERO CCC[C@@H](C)[C@H]([NH3+])c1ccc2c(c1)CCCC(=O)N2 ZINC000037371327 173161111 /nfs/dbraw/zinc/16/11/11/173161111.db2.gz TUKLMBBZPZGZEN-BZNIZROVSA-N 1 0 260.381 3.397 10 0 CGAERO Cc1ccc2c(c1)nc([C@@H]1CCC[NH2+]C1)n2C(C)C ZINC000037438411 173208706 /nfs/dbraw/zinc/20/87/06/173208706.db2.gz NGIBXYXKSYCXEK-CYBMUJFWSA-N 1 0 257.381 3.393 10 0 CGAERO CCCn1c2ccc(F)cc2nc1[C@@H]1CCC[NH2+]C1 ZINC000037439518 173209310 /nfs/dbraw/zinc/20/93/10/173209310.db2.gz NVSDZMCKHZJAEJ-LLVKDONJSA-N 1 0 261.344 3.052 10 0 CGAERO CCC[C@@H]([NH3+])c1nc2cc(Br)ccc2n1C ZINC000037441327 173211329 /nfs/dbraw/zinc/21/13/29/173211329.db2.gz ULXUUROOOYXMPE-SECBINFHSA-N 1 0 282.185 3.136 10 0 CGAERO COc1ccc([C@](C)([NH3+])Cc2cccc(C)c2)cc1 ZINC000037531495 173253563 /nfs/dbraw/zinc/25/35/63/173253563.db2.gz AGYUSEXCQHIGGK-QGZVFWFLSA-N 1 0 255.361 3.420 10 0 CGAERO C[C@@H](NC(=O)C[NH2+]CC1CC1)c1ccc(C(C)(C)C)cc1 ZINC000037612637 173560174 /nfs/dbraw/zinc/56/01/74/173560174.db2.gz LAFTYQOGCCBNKC-CYBMUJFWSA-N 1 0 288.435 3.161 10 0 CGAERO Cc1cc([C@H](C)NC(=O)C[NH2+]C2CCCC2)c(C)s1 ZINC000037626726 173577601 /nfs/dbraw/zinc/57/76/01/173577601.db2.gz MXURFUCTJWEEOP-NSHDSACASA-N 1 0 280.437 3.074 10 0 CGAERO Cc1ccc(OCCc2ccccn2)c([C@H](C)[NH3+])c1 ZINC000037662314 173608053 /nfs/dbraw/zinc/60/80/53/173608053.db2.gz PBZDGRBBTZNADJ-ZDUSSCGKSA-N 1 0 256.349 3.031 10 0 CGAERO CCOc1cc(C[C@@H]([NH3+])CC)ccc1OCC1CC1 ZINC000037726334 173644953 /nfs/dbraw/zinc/64/49/53/173644953.db2.gz HHXHXGRNTIIRDI-AWEZNQCLSA-N 1 0 263.381 3.154 10 0 CGAERO [NH3+]C[C@H](Oc1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000038001374 173963853 /nfs/dbraw/zinc/96/38/53/173963853.db2.gz BMALRSWKRXXILS-QMMMGPOBSA-N 1 0 274.069 3.262 10 0 CGAERO CC[C@H](Cc1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000038004355 173966620 /nfs/dbraw/zinc/96/66/20/173966620.db2.gz DDIQJMLAPSQJIA-MWLCHTKSSA-N 1 0 256.187 3.365 10 0 CGAERO FC(F)(F)Sc1ccc(NC2CC[NH2+]CC2)cc1 ZINC000038041176 174041778 /nfs/dbraw/zinc/04/17/78/174041778.db2.gz IYMAIWOHYKMEHF-UHFFFAOYSA-N 1 0 276.327 3.462 10 0 CGAERO CCCCC1CCC(C(=O)N[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000038049773 174061282 /nfs/dbraw/zinc/06/12/82/174061282.db2.gz NVVDCMGTPPXRBI-CKUJCDMFSA-N 1 0 280.456 3.369 10 0 CGAERO C[NH2+][C@@H](C)c1cc(F)ccc1-n1cc(Br)cn1 ZINC000038054432 174065833 /nfs/dbraw/zinc/06/58/33/174065833.db2.gz KKUPORSTAUICLB-QMMMGPOBSA-N 1 0 298.159 3.054 10 0 CGAERO COc1cc(C[NH3+])c(-c2cccc(C)c2)cc1OC ZINC000038071518 174082131 /nfs/dbraw/zinc/08/21/31/174082131.db2.gz IAOIDCSTHDMRLX-UHFFFAOYSA-N 1 0 257.333 3.138 10 0 CGAERO COc1ccc(-c2cc(Cl)ccc2OC)cc1C[NH3+] ZINC000038071005 174082243 /nfs/dbraw/zinc/08/22/43/174082243.db2.gz PAUSQBUHDZCIGL-UHFFFAOYSA-N 1 0 277.751 3.483 10 0 CGAERO C[C@H]1Cc2cc(-c3ccc(C[NH3+])c(F)c3)ccc2O1 ZINC000038073547 174083921 /nfs/dbraw/zinc/08/39/21/174083921.db2.gz QWAIGOFTJWNHBM-JTQLQIEISA-N 1 0 257.308 3.275 10 0 CGAERO Cc1cc(C)cc(COc2cccc(C(N)=[NH2+])c2)c1 ZINC000038076845 174087625 /nfs/dbraw/zinc/08/76/25/174087625.db2.gz QIIAJLOOPLHORH-UHFFFAOYSA-N 1 0 254.333 3.167 10 0 CGAERO CC[C@@H]([NH2+]Cc1nc(C)cs1)c1ccc(O)cc1 ZINC000038090645 174104195 /nfs/dbraw/zinc/10/41/95/174104195.db2.gz ZNWYCQBRGZSBPE-CYBMUJFWSA-N 1 0 262.378 3.398 10 0 CGAERO C[C@H](NC(=O)CCCCC[NH3+])c1cccc(Cl)c1 ZINC000038092767 174106999 /nfs/dbraw/zinc/10/69/99/174106999.db2.gz XDVPLKUEBRKRNS-NSHDSACASA-N 1 0 268.788 3.036 10 0 CGAERO [NH3+]C[C@H](c1c(F)cccc1Cl)N1CCCCCC1 ZINC000038827591 174156307 /nfs/dbraw/zinc/15/63/07/174156307.db2.gz BVNLCPRHIWBRIY-CYBMUJFWSA-N 1 0 270.779 3.355 10 0 CGAERO Cc1ccc2c(c1)[C@H]([NH3+])CN2Cc1ccc(F)cc1 ZINC000039941616 174176364 /nfs/dbraw/zinc/17/63/64/174176364.db2.gz HTEGCCWTTOXMAC-OAHLLOKOSA-N 1 0 256.324 3.154 10 0 CGAERO CCCC[C@@H]([NH3+])c1nc2ccccc2n1CCCOC ZINC000040163842 174196688 /nfs/dbraw/zinc/19/66/88/174196688.db2.gz RKCSFQBGKAYGAG-CYBMUJFWSA-N 1 0 275.396 3.263 10 0 CGAERO C[C@H]([NH3+])CCSc1ccc(Br)cc1 ZINC000040542075 174322790 /nfs/dbraw/zinc/32/27/90/174322790.db2.gz MLNHOTRZNFYLNO-QMMMGPOBSA-N 1 0 260.200 3.279 10 0 CGAERO COc1cc(Cl)cc(C[NH2+]C(C)(C)C)c1OC ZINC000040722098 174385207 /nfs/dbraw/zinc/38/52/07/174385207.db2.gz LCZLLFBGVCEXKY-UHFFFAOYSA-N 1 0 257.761 3.245 10 0 CGAERO COCC[NH2+]Cc1c(OC(C)C)ccc2ccccc21 ZINC000040729677 174388252 /nfs/dbraw/zinc/38/82/52/174388252.db2.gz PNHRBEOTYFTVAK-UHFFFAOYSA-N 1 0 273.376 3.363 10 0 CGAERO O=C(Cc1ccc(Cl)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000041405829 174547401 /nfs/dbraw/zinc/54/74/01/174547401.db2.gz BDAYOQIHYYYNCD-SNVBAGLBSA-N 1 0 272.175 3.105 10 0 CGAERO CC[C@H]([NH2+]Cc1ncc(C)c(OC)c1C)C(C)C ZINC000042589370 174810603 /nfs/dbraw/zinc/81/06/03/174810603.db2.gz QBCLFFYCOTZTKY-ZDUSSCGKSA-N 1 0 250.386 3.231 10 0 CGAERO CCN(Cc1ccco1)[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000042901955 174905900 /nfs/dbraw/zinc/90/59/00/174905900.db2.gz XBFUMFAARCAXQI-CJNGLKHVSA-N 1 0 258.365 3.190 10 0 CGAERO CC[C@@H]([NH3+])[C@H](SCC(=O)OC)c1ccc(Cl)cc1 ZINC000042951151 174923488 /nfs/dbraw/zinc/92/34/88/174923488.db2.gz KQCPECLDSLBBSA-DGCLKSJQSA-N 1 0 287.812 3.025 10 0 CGAERO CC[C@H]([NH3+])[C@H](Sc1n[nH]c(C)n1)c1ccc(Cl)cc1 ZINC000042951578 174924322 /nfs/dbraw/zinc/92/43/22/174924322.db2.gz AMVNVXPPUSCSHJ-NWDGAFQWSA-N 1 0 296.827 3.337 10 0 CGAERO CCCCO[C@H](c1ccc(OC)cc1)[C@@H]([NH3+])CC ZINC000042963911 174928164 /nfs/dbraw/zinc/92/81/64/174928164.db2.gz ZTQARFPRIFDSSD-LSDHHAIUSA-N 1 0 251.370 3.290 10 0 CGAERO CC[C@H]([NH3+])[C@@H](c1cccc(Cl)c1)n1cc(C)cn1 ZINC000043016783 174943450 /nfs/dbraw/zinc/94/34/50/174943450.db2.gz WJKJSRLWJIKYQB-UONOGXRCSA-N 1 0 263.772 3.172 10 0 CGAERO Cc1ccccc1[C@H]([C@H](C)[NH3+])N(C)Cc1ccco1 ZINC000043034787 174950635 /nfs/dbraw/zinc/95/06/35/174950635.db2.gz PHMCKDVZEOZKQU-BBRMVZONSA-N 1 0 258.365 3.108 10 0 CGAERO CC[C@@H]([NH3+])[C@@H](OCC(F)(F)F)c1ccccc1F ZINC000043046558 174956930 /nfs/dbraw/zinc/95/69/30/174956930.db2.gz PJVXDFNMFNNNLU-MNOVXSKESA-N 1 0 265.250 3.183 10 0 CGAERO Cc1nnc(S[C@H](c2ccccc2F)[C@@H](C)[NH3+])s1 ZINC000043050173 174958523 /nfs/dbraw/zinc/95/85/23/174958523.db2.gz UEHORGYVBLOEKG-HQJQHLMTSA-N 1 0 283.397 3.166 10 0 CGAERO C[C@H]([NH3+])[C@@H](Oc1cccc(F)c1)c1cccs1 ZINC000043108687 174973613 /nfs/dbraw/zinc/97/36/13/174973613.db2.gz NXWCWBIPNFDUAS-TVQRCGJNSA-N 1 0 251.326 3.355 10 0 CGAERO CN(C[C@@H]1[NH2+]CCc2ccccc21)c1ccccc1 ZINC000043595905 175076879 /nfs/dbraw/zinc/07/68/79/175076879.db2.gz IEJKBUNOTKWTEW-KRWDZBQOSA-N 1 0 252.361 3.010 10 0 CGAERO C[NH2+]CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000043599673 175077220 /nfs/dbraw/zinc/07/72/20/175077220.db2.gz QIGTXRMDOAUTTR-UHFFFAOYSA-N 1 0 270.332 3.027 10 0 CGAERO CC[NH2+][C@@H](C)CCc1cc(Br)cs1 ZINC000043688037 175094826 /nfs/dbraw/zinc/09/48/26/175094826.db2.gz KSGIWMVOXNHRBD-QMMMGPOBSA-N 1 0 262.216 3.441 10 0 CGAERO CC(C)Oc1ccc([C@@H](O)C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000044116298 175141651 /nfs/dbraw/zinc/14/16/51/175141651.db2.gz GGKVKRDFNFBVPO-YOEHRIQHSA-N 1 0 277.408 3.382 10 0 CGAERO O[C@H](C[NH+]1CCCC1)c1ccc(-c2ccccc2)cc1 ZINC000044115146 175141918 /nfs/dbraw/zinc/14/19/18/175141918.db2.gz FSSZVFOKSTVNFW-GOSISDBHSA-N 1 0 267.372 3.483 10 0 CGAERO CCCC[NH+](CCCC)[C@@H]1COc2ccccc2[C@@H]1O ZINC000044125942 175144287 /nfs/dbraw/zinc/14/42/87/175144287.db2.gz ICYOXDVZXKILII-WBVHZDCISA-N 1 0 277.408 3.383 10 0 CGAERO C[C@H](CNc1ccc(N)cc1Cl)[NH+]1CCCCC1 ZINC000044988937 175285653 /nfs/dbraw/zinc/28/56/53/175285653.db2.gz RNEPAEJGNLYCJE-LLVKDONJSA-N 1 0 267.804 3.209 10 0 CGAERO CCc1ccc(C[NH2+]CCCOc2ccccn2)cc1 ZINC000045945446 175388086 /nfs/dbraw/zinc/38/80/86/175388086.db2.gz QXQXEACPSLUEPG-UHFFFAOYSA-N 1 0 270.376 3.203 10 0 CGAERO CCCCCOCc1csc(C[NH2+]C(C)C)n1 ZINC000052645182 175536478 /nfs/dbraw/zinc/53/64/78/175536478.db2.gz GHPYWPMHJLSNLW-UHFFFAOYSA-N 1 0 256.415 3.348 10 0 CGAERO CCOc1cccc(C[NH2+][C@H]2CCC[C@H]2C)c1OC ZINC000071206529 176080609 /nfs/dbraw/zinc/08/06/09/176080609.db2.gz QKPHBWQEQSHGHX-OCCSQVGLSA-N 1 0 263.381 3.372 10 0 CGAERO C[C@H](Cc1ccc(F)cc1)NC1=[NH+]C[C@H](C2CC2)S1 ZINC000071308105 176116083 /nfs/dbraw/zinc/11/60/83/176116083.db2.gz XTRIULMLZHPRIY-QMTHXVAHSA-N 1 0 278.396 3.228 10 0 CGAERO Brc1ccc2[nH]cc([C@H]3CC[NH2+]C3)c2c1 ZINC000071490338 176190299 /nfs/dbraw/zinc/19/02/99/176190299.db2.gz REHOOAFJZMXJJN-QMMMGPOBSA-N 1 0 265.154 3.007 10 0 CGAERO CCCCc1ccc(-c2nc(C)[nH]c2CC[NH3+])cc1 ZINC000071582889 176207939 /nfs/dbraw/zinc/20/79/39/176207939.db2.gz ZMRUACVDLMIOFC-UHFFFAOYSA-N 1 0 257.381 3.229 10 0 CGAERO CC[NH2+][C@H](C(=O)c1cc(C)cc(C)c1OC)C(C)C ZINC000071595936 176218949 /nfs/dbraw/zinc/21/89/49/176218949.db2.gz OVWIUROWAFMBJT-AWEZNQCLSA-N 1 0 263.381 3.129 10 0 CGAERO O[C@@H](c1ccc(Oc2ccccc2)cc1)[C@H]1CCC[NH2+]1 ZINC000071600594 176226760 /nfs/dbraw/zinc/22/67/60/176226760.db2.gz DWMMCIGBVZLRDX-SJORKVTESA-N 1 0 269.344 3.264 10 0 CGAERO CCOc1ccc([C@H](O)[C@@H]([NH2+]C)C(C)C)cc1Cl ZINC000071611277 176231851 /nfs/dbraw/zinc/23/18/51/176231851.db2.gz MLDCIMIIQDCRPT-KBPBESRZSA-N 1 0 271.788 3.016 10 0 CGAERO C[NH2+][C@H](c1cc(OC)c(OC)c(OC)c1)C1CCCC1 ZINC000071630368 176236042 /nfs/dbraw/zinc/23/60/42/176236042.db2.gz XABKKCPBRNKVGQ-HNNXBMFYSA-N 1 0 279.380 3.163 10 0 CGAERO CC1(C)CC(C[NH3+])(c2ccccc2Br)C1 ZINC000076397978 177015461 /nfs/dbraw/zinc/01/54/61/177015461.db2.gz IAYNEDNJVMFPMY-UHFFFAOYSA-N 1 0 268.198 3.466 10 0 CGAERO COc1ccccc1[C@@H](CC[NH3+])Cc1ccccc1 ZINC000076660568 177048631 /nfs/dbraw/zinc/04/86/31/177048631.db2.gz AFZASDROYTZTJM-HNNXBMFYSA-N 1 0 255.361 3.370 10 0 CGAERO Cc1ccc(CC[C@H](CC[NH3+])c2cccn2C)cc1 ZINC000076663332 177050206 /nfs/dbraw/zinc/05/02/06/177050206.db2.gz 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C[C@@H]1CCN(c2cc(C(F)(F)F)ccc2F)CC[NH2+]1 ZINC000062661489 524524168 /nfs/dbraw/zinc/52/41/68/524524168.db2.gz PMKFVTCCOJGRDK-SECBINFHSA-N 1 0 276.277 3.033 10 0 CGAERO Cc1cc(C=O)c(C)n1[C@@H](CC(C)C)C[NH+](C)C ZINC000049557842 524609614 /nfs/dbraw/zinc/60/96/14/524609614.db2.gz SPZNMPSJYXTRSM-HNNXBMFYSA-N 1 0 250.386 3.066 10 0 CGAERO C[C@H]1C[C@@H](OCc2cc(C[NH3+])co2)CC(C)(C)C1 ZINC000052629390 524822309 /nfs/dbraw/zinc/82/23/09/524822309.db2.gz IYNZGXNZKMGMRB-WCQYABFASA-N 1 0 251.370 3.470 10 0 CGAERO C[C@@H](Cc1nc(C2([NH3+])CCCCC2)no1)C(C)(C)C ZINC000111656020 524944070 /nfs/dbraw/zinc/94/40/70/524944070.db2.gz BBMSAHPNRZNLPU-NSHDSACASA-N 1 0 265.401 3.412 10 0 CGAERO Cc1ccc(N2CC[C@@H](C)[NH2+][C@@H](C)CC2)cc1F ZINC000049664708 524969720 /nfs/dbraw/zinc/96/97/20/524969720.db2.gz CIVAQKDJJZVXIL-BETUJISGSA-N 1 0 250.361 3.101 10 0 CGAERO Cc1cccc2oc([C@H](C[NH3+])c3ccccc3)nc21 ZINC000061609504 524999423 /nfs/dbraw/zinc/99/94/23/524999423.db2.gz ZRABWFWBIRATGU-CYBMUJFWSA-N 1 0 252.317 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VCIBQMTUSUOHGV-IGJMFERPSA-N 1 0 263.410 3.250 10 0 CGAERO CCN1CCC[C@@H]([NH2+]Cc2cc3cccc(OC)c3o2)C1 ZINC000040502796 618198632 /nfs/dbraw/zinc/19/86/32/618198632.db2.gz VGGHRWMAHNVPCU-CQSZACIVSA-N 1 0 288.391 3.015 10 0 CGAERO CC(C)(C)OC(=O)N1CC=C(c2cccc(C[NH3+])c2)CC1 ZINC000260114647 618756535 /nfs/dbraw/zinc/75/65/35/618756535.db2.gz XDTRSDJYOUPDCL-UHFFFAOYSA-N 1 0 288.391 3.170 10 0 CGAERO COCCC[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000395428316 619005379 /nfs/dbraw/zinc/00/53/79/619005379.db2.gz CRMYRVYFYNQIRI-QWRGUYRKSA-N 1 0 257.324 3.431 10 0 CGAERO C[C@@H](C[NH2+]C[C@@H]1CC=CCC1)N(C)C(=O)OC(C)(C)C ZINC000309876578 619015429 /nfs/dbraw/zinc/01/54/29/619015429.db2.gz WLFLWZBXUIJSQO-UONOGXRCSA-N 1 0 282.428 3.188 10 0 CGAERO CCCCCC(C)(C)CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000094988596 619267696 /nfs/dbraw/zinc/26/76/96/619267696.db2.gz AARHRYRLISCTFL-ZIAGYGMSSA-N 1 0 268.445 3.084 10 0 CGAERO CN(C(=O)[C@H]1CCC[C@H]([NH3+])C1)C1CCCCCCC1 ZINC000237061021 619401288 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ZINC000058427655 622926077 /nfs/dbraw/zinc/92/60/77/622926077.db2.gz SPWBIBSXRSFSAS-CZUORRHYSA-N 1 0 291.439 3.233 10 0 CGAERO CCCCCC[N@@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000157979034 622991654 /nfs/dbraw/zinc/99/16/54/622991654.db2.gz QJCWAOQKJOQGSK-MRXNPFEDSA-N 1 0 278.444 3.187 10 0 CGAERO CCC[C@@H]1C[C@H]1[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000231674759 623335702 /nfs/dbraw/zinc/33/57/02/623335702.db2.gz CHUJJKRRMWAOGD-RRFJBIMHSA-N 1 0 296.455 3.412 10 0 CGAERO CC1(C)COC[C@@H]1[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000313014607 623624409 /nfs/dbraw/zinc/62/44/09/623624409.db2.gz DUAWPINGASCKAX-HIFRSBDPSA-N 1 0 275.392 3.303 10 0 CGAERO CC[N@@H+]1CCC=C(c2ccc(C(F)(F)F)nc2)C1 ZINC000757570325 630621257 /nfs/dbraw/zinc/62/12/57/630621257.db2.gz BTQXHXWEHKSBQE-UHFFFAOYSA-N 1 0 256.271 3.209 10 0 CGAERO COc1cccc(-c2ccc(C)c(CC[NH3+])c2)c1F ZINC000757568714 630621260 /nfs/dbraw/zinc/62/12/60/630621260.db2.gz RZFPSKZFEIMUKE-UHFFFAOYSA-N 1 0 259.324 3.311 10 0 CGAERO CCC[N@@H+]1CCC[C@H]([C@@H]2CC[C@H](C(F)(F)F)NC2)C1 ZINC000757571061 630621814 /nfs/dbraw/zinc/62/18/14/630621814.db2.gz JEZOCRCMOSTASW-FRRDWIJNSA-N 1 0 278.362 3.039 10 0 CGAERO Cc1cc(F)ccc1-c1noc([C@H]2CCC[C@H]2C[NH3+])n1 ZINC000126243065 634934327 /nfs/dbraw/zinc/93/43/27/634934327.db2.gz AJMIBHTVWSRVRR-GWCFXTLKSA-N 1 0 275.327 3.027 10 0 CGAERO CCCCCC[C@](C)(CCC)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000127684640 635768531 /nfs/dbraw/zinc/76/85/31/635768531.db2.gz BNUCAZXFJPMHOL-ZBFHGGJFSA-N 1 0 268.445 3.241 10 0 CGAERO [NH3+][C@H]1CC[C@@H](c2nc(Cc3cccc(Cl)c3F)no2)C1 ZINC000213796057 636496502 /nfs/dbraw/zinc/49/65/02/636496502.db2.gz KOSQFUNNMABQSF-ZJUUUORDSA-N 1 0 295.745 3.048 10 0 CGAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@@H]2CSCCS2)c1C ZINC000132597865 636822887 /nfs/dbraw/zinc/82/28/87/636822887.db2.gz NPFQOKHJERGYRJ-GXFFZTMASA-N 1 0 299.509 3.019 10 0 CGAERO Cc1cc2c(ncnc2NCc2ccc(CC[NH3+])cc2)s1 ZINC000110779296 637695453 /nfs/dbraw/zinc/69/54/53/637695453.db2.gz OVLHFXAKVWAVBK-UHFFFAOYSA-N 1 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187188867 /nfs/dbraw/zinc/18/88/67/187188867.db2.gz JMRYMGCYYQXUHE-AWEZNQCLSA-N 1 0 293.407 3.135 10 0 CGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCC(C)(C)C ZINC000175005706 529404567 /nfs/dbraw/zinc/40/45/67/529404567.db2.gz WPGDLVMATLOZHW-HUUCEWRRSA-N 1 0 280.456 3.288 10 0 CGAERO CC[C@@H](CC1CCCC1)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000172168056 529461031 /nfs/dbraw/zinc/46/10/31/529461031.db2.gz XPZOAFIRMNACDD-INIZCTEOSA-N 1 0 292.467 3.290 10 0 CGAERO O[C@H]1CCC[C@@H]([NH2+]Cc2csc(C(F)(F)F)c2)C1 ZINC000623374052 349793317 /nfs/dbraw/zinc/79/33/17/349793317.db2.gz UWMLDUYFQXEFIF-ZJUUUORDSA-N 1 0 279.327 3.160 10 0 CGAERO Cc1ccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)cc1C ZINC000188399451 542247378 /nfs/dbraw/zinc/24/73/78/542247378.db2.gz ZJJXLLUWESFCJZ-KRWDZBQOSA-N 1 0 269.392 3.165 10 0 CGAERO Cc1cc(N[C@@H](CO)c2ccco2)c2cc(F)ccc2[nH+]1 ZINC000128104915 187352435 /nfs/dbraw/zinc/35/24/35/187352435.db2.gz OVZSJVIKJYECST-HNNXBMFYSA-N 1 0 286.306 3.421 10 0 CGAERO COc1cc(C[NH3+])ccc1OCCCc1ccccc1 ZINC000004227564 344860192 /nfs/dbraw/zinc/86/01/92/344860192.db2.gz JLGKAOWQHZIENJ-UHFFFAOYSA-N 1 0 271.360 3.166 10 0 CGAERO CCCOc1cccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)c1 ZINC000188398138 542247877 /nfs/dbraw/zinc/24/78/77/542247877.db2.gz NSUHPKQFSTYUBR-KRWDZBQOSA-N 1 0 299.418 3.337 10 0 CGAERO CC[NH2+][C@H]1CCN(C(c2ccccc2)c2ccccc2)C1 ZINC000033756164 344936385 /nfs/dbraw/zinc/93/63/85/344936385.db2.gz ZYLFUOYKGALLNE-SFHVURJKSA-N 1 0 280.415 3.460 10 0 CGAERO O[C@@]1(c2ccccc2)C[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC000033856644 344936485 /nfs/dbraw/zinc/93/64/85/344936485.db2.gz MUPRAECAEXZYHK-JKSUJKDBSA-N 1 0 273.763 3.262 10 0 CGAERO OC1(c2ccc3ccccc3c2)CC[NH+](C2CC2)CC1 ZINC000038955852 344956929 /nfs/dbraw/zinc/95/69/29/344956929.db2.gz XAWKHCMFVGXLMT-UHFFFAOYSA-N 1 0 267.372 3.286 10 0 CGAERO O=c1c(C[NH2+]C2CCCCC2)cc2cccc3c2n1CCC3 ZINC000039287239 344959428 /nfs/dbraw/zinc/95/94/28/344959428.db2.gz XRMXRWICWLKKOI-UHFFFAOYSA-N 1 0 296.414 3.370 10 0 CGAERO C[C@H](NC(=O)C1CCC([NH3+])CC1)c1ccccc1Cl ZINC000040853956 344966142 /nfs/dbraw/zinc/96/61/42/344966142.db2.gz SIZRWMGDSOTQHU-UNXYVOJBSA-N 1 0 280.799 3.035 10 0 CGAERO COc1cccc2c1-c1cccc3c1[C@H](C2)[NH2+]CC3 ZINC000034398135 344938974 /nfs/dbraw/zinc/93/89/74/344938974.db2.gz WJLQHAGLYICAJM-AWEZNQCLSA-N 1 0 251.329 3.105 10 0 CGAERO [NH3+][C@@H](c1ccc2c(c1)CCC2)[C@H]1Cc2ccccc2O1 ZINC000034939643 344941161 /nfs/dbraw/zinc/94/11/61/344941161.db2.gz ZBBMIQVOCQBCGH-MSOLQXFVSA-N 1 0 265.356 3.179 10 0 CGAERO C[C@@H]([NH2+]CC(=O)c1cccc(F)c1)c1ccccc1 ZINC000034844876 344941457 /nfs/dbraw/zinc/94/14/57/344941457.db2.gz AAHMACLFYBVAQH-GFCCVEGCSA-N 1 0 257.308 3.359 10 0 CGAERO Nc1cc[nH+]c(NCc2ccc(Br)cc2)c1 ZINC000043568789 345000807 /nfs/dbraw/zinc/00/08/07/345000807.db2.gz NDVGWFBNLRGEFE-UHFFFAOYSA-N 1 0 278.153 3.038 10 0 CGAERO Nc1cc[nH+]c(NCc2cccc(C(F)(F)F)c2)c1 ZINC000043568328 345001223 /nfs/dbraw/zinc/00/12/23/345001223.db2.gz AHQNBAKAWUQSKF-UHFFFAOYSA-N 1 0 267.254 3.295 10 0 CGAERO FC(F)(F)Oc1ccc(COC[C@@H]2CCC[NH2+]C2)cc1 ZINC000051815206 345093403 /nfs/dbraw/zinc/09/34/03/345093403.db2.gz ZSAIBJREZQZYTN-GFCCVEGCSA-N 1 0 289.297 3.101 10 0 CGAERO Cc1cc(OC(C)C)ccc1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307620 345132185 /nfs/dbraw/zinc/13/21/85/345132185.db2.gz AQDCVMOWGLBGKU-CQSZACIVSA-N 1 0 290.407 3.110 10 0 CGAERO CC[C@@H](NC(=O)C[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000054306782 345132478 /nfs/dbraw/zinc/13/24/78/345132478.db2.gz OBIVXXGFFTZDRM-SWLSCSKDSA-N 1 0 294.826 3.297 10 0 CGAERO CC(C)c1ccc([C@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000054685576 345138160 /nfs/dbraw/zinc/13/81/60/345138160.db2.gz FXPXIARXYUCZJL-ROUUACIJSA-N 1 0 269.388 3.413 10 0 CGAERO CC(C)C[C@@H]([NH3+])[C@H](O)c1cccc(Cl)c1Cl ZINC000054929624 345140696 /nfs/dbraw/zinc/14/06/96/345140696.db2.gz PTYSKHJQUNIUQR-ZYHUDNBSSA-N 1 0 262.180 3.400 10 0 CGAERO CCC(=[NH2+])Nc1cc(Br)ccc1OC ZINC000062993883 345242669 /nfs/dbraw/zinc/24/26/69/345242669.db2.gz FHRTXRHSYPATHQ-UHFFFAOYSA-N 1 0 257.131 3.257 10 0 CGAERO CC(C)c1ccc([C@@H](C)[NH2+]CC(=O)NCC2CCC2)cc1 ZINC000066472867 345296874 /nfs/dbraw/zinc/29/68/74/345296874.db2.gz DMLHEEBQZQFFNI-CQSZACIVSA-N 1 0 288.435 3.377 10 0 CGAERO Brc1ccsc1C[C@H]1CCC[NH2+]C1 ZINC000069975117 345387466 /nfs/dbraw/zinc/38/74/66/345387466.db2.gz VKNXCZIJLXNATQ-MRVPVSSYSA-N 1 0 260.200 3.053 10 0 CGAERO [NH3+][C@@H](c1cc(F)c(Br)cc1F)C1CC1 ZINC000070022614 345387587 /nfs/dbraw/zinc/38/75/87/345387587.db2.gz HAHAYHHQTAAMGL-SNVBAGLBSA-N 1 0 262.097 3.137 10 0 CGAERO c1ccc2c(c1)CC[NH2+][C@H]2c1cccc2cnccc21 ZINC000070209508 345389553 /nfs/dbraw/zinc/38/95/53/345389553.db2.gz YMJDFFGAAVMLJK-GOSISDBHSA-N 1 0 260.340 3.470 10 0 CGAERO CC(C)(C)NC(=[NH2+])c1ccc(Br)s1 ZINC000070598087 345392928 /nfs/dbraw/zinc/39/29/28/345392928.db2.gz FJJNCLABTBTTQM-UHFFFAOYSA-N 1 0 261.188 3.224 10 0 CGAERO CC(C)CC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000077211644 345560516 /nfs/dbraw/zinc/56/05/16/345560516.db2.gz DQNLHLUJLGCVNS-LSDHHAIUSA-N 1 0 276.424 3.230 10 0 CGAERO CC1(C)CC([NH3+])(c2ccc(Br)cc2)C1 ZINC000083162158 345724278 /nfs/dbraw/zinc/72/42/78/345724278.db2.gz ZSTHCLZWGRHHJJ-UHFFFAOYSA-N 1 0 254.171 3.423 10 0 CGAERO C[C@H]1CN(Cc2ccc(C(C)(C)C)s2)C[C@H](C)[NH2+]1 ZINC000166173783 232262014 /nfs/dbraw/zinc/26/20/14/232262014.db2.gz NRTSDDPSDCZROG-RYUDHWBXSA-N 1 0 266.454 3.228 10 0 CGAERO C[NH+](C)C[C@@H](NC(=O)C1CCCCCC1)c1ccccc1 ZINC000101810235 345913852 /nfs/dbraw/zinc/91/38/52/345913852.db2.gz HGOVQXITWGFPCX-QGZVFWFLSA-N 1 0 288.435 3.376 10 0 CGAERO Nc1ccc(-c2ccc(O[C@H]3C[NH+]4CCC3CC4)cc2)cc1 ZINC000116472839 345977949 /nfs/dbraw/zinc/97/79/49/345977949.db2.gz QXIDHMXVLHBARX-IBGZPJMESA-N 1 0 294.398 3.409 10 0 CGAERO O=C1c2ccccc2[C@@]2(C=C[NH2+]CC2)N1Cc1ccccc1 ZINC000116992171 345980896 /nfs/dbraw/zinc/98/08/96/345980896.db2.gz TUQWJNZGYAOCSX-IBGZPJMESA-N 1 0 290.366 3.045 10 0 CGAERO Fc1ccc([C@@H]2OCC[NH2+]C[C@@H]2c2ccccc2)cc1 ZINC000117607682 345985116 /nfs/dbraw/zinc/98/51/16/345985116.db2.gz WBFGZOQBLPQAAI-SJORKVTESA-N 1 0 271.335 3.270 10 0 CGAERO O=C(Nc1ccccc1)Nc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC000117723051 345985641 /nfs/dbraw/zinc/98/56/41/345985641.db2.gz FILGYOAPMPEHCJ-CQSZACIVSA-N 1 0 281.359 3.408 10 0 CGAERO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(=O)N1CCC(C)CC1 ZINC000130433407 346057413 /nfs/dbraw/zinc/05/74/13/346057413.db2.gz IKMGKNFPXJEJRO-CVEARBPZSA-N 1 0 288.435 3.293 10 0 CGAERO C[C@@H]1Cc2c(cc(Cl)cc2Br)[C@H]1[NH3+] ZINC000126550975 346025207 /nfs/dbraw/zinc/02/52/07/346025207.db2.gz DCJGBJHNJHPIBG-FWOIEVBISA-N 1 0 260.562 3.295 10 0 CGAERO [NH3+]C[C@@H]1C[C@@H]1c1ccc(Cl)cc1Br ZINC000126671323 346025917 /nfs/dbraw/zinc/02/59/17/346025917.db2.gz GISHYAUCHFQUNJ-RCOVLWMOSA-N 1 0 260.562 3.165 10 0 CGAERO CC[C@@H]([NH2+]C[C@@H]1CN(CC)CCO1)c1ccc(Cl)cc1 ZINC000134441611 346081880 /nfs/dbraw/zinc/08/18/80/346081880.db2.gz ZDISVEWONBUTLW-HZPDHXFCSA-N 1 0 296.842 3.101 10 0 CGAERO Cc1ccc(-c2cc(-c3ccc(C[NH3+])cc3)no2)cn1 ZINC000136766857 346091803 /nfs/dbraw/zinc/09/18/03/346091803.db2.gz SIJZRXYDYLUPRQ-UHFFFAOYSA-N 1 0 265.316 3.171 10 0 CGAERO [NH3+]C[C@@H]1Cc2cc(F)cc(-c3ccc(Cl)cc3)c2O1 ZINC000137318491 346094115 /nfs/dbraw/zinc/09/41/15/346094115.db2.gz HMLOLVYSTFKLBU-ZDUSSCGKSA-N 1 0 277.726 3.408 10 0 CGAERO Brc1ccc2c(c1)CCC[C@@]21CC[NH2+]C1 ZINC000139967807 346102311 /nfs/dbraw/zinc/10/23/11/346102311.db2.gz XRCIFPDTOODVPE-ZDUSSCGKSA-N 1 0 266.182 3.017 10 0 CGAERO CC(C)C[C@@H]([NH3+])c1ccc(I)cc1 ZINC000142301467 346110730 /nfs/dbraw/zinc/11/07/30/346110730.db2.gz XAKXGVCSGZPDBB-LLVKDONJSA-N 1 0 289.160 3.337 10 0 CGAERO N#Cc1cccc(C[C@@H]2[NH2+]CCc3ccsc32)c1 ZINC000149273262 346130325 /nfs/dbraw/zinc/13/03/25/346130325.db2.gz VMRWGQSHVBIHMM-AWEZNQCLSA-N 1 0 254.358 3.049 10 0 CGAERO C[N@H+]1Cc2ccccc2[C@@H](c2ccc3cncnc3c2)C1 ZINC000150332380 346133219 /nfs/dbraw/zinc/13/32/19/346133219.db2.gz FEBXRTFLPYIQGW-QGZVFWFLSA-N 1 0 275.355 3.207 10 0 CGAERO C[C@@H]([NH3+])c1nc2ccccc2cc1Br ZINC000158271741 346163521 /nfs/dbraw/zinc/16/35/21/346163521.db2.gz BGXAECHPTVFXIU-SSDOTTSWSA-N 1 0 251.127 3.017 10 0 CGAERO F[C@@H](c1occc1Br)[C@H]1CCC[NH2+]C1 ZINC000158280314 346163918 /nfs/dbraw/zinc/16/39/18/346163918.db2.gz BZQXGEKMWCGBEO-IONNQARKSA-N 1 0 262.122 3.052 10 0 CGAERO [NH3+][C@@H]1CC[C@@](F)(Cc2cc(Br)cs2)C1 ZINC000158323329 346164306 /nfs/dbraw/zinc/16/43/06/346164306.db2.gz LKJPPMKNISKQMI-SCZZXKLOSA-N 1 0 278.190 3.273 10 0 CGAERO [NH3+][C@@H]1CC[C@@](F)(c2sccc2Br)C1 ZINC000158295430 346164518 /nfs/dbraw/zinc/16/45/18/346164518.db2.gz HVIIJSXVKPSTTN-MUWHJKNJSA-N 1 0 264.163 3.187 10 0 CGAERO [NH3+][C@@H](c1csc(I)c1)C1CCC1 ZINC000157382077 346161046 /nfs/dbraw/zinc/16/10/46/346161046.db2.gz GWEWTWCFOKGRJK-SECBINFHSA-N 1 0 293.173 3.153 10 0 CGAERO [NH3+][C@H]1CC[C@@](F)(c2sccc2Br)C1 ZINC000158295158 346163394 /nfs/dbraw/zinc/16/33/94/346163394.db2.gz HVIIJSXVKPSTTN-RCOVLWMOSA-N 1 0 264.163 3.187 10 0 CGAERO [NH3+][C@H](c1cscc1Br)[C@@H]1CCSC1 ZINC000164396750 346182212 /nfs/dbraw/zinc/18/22/12/346182212.db2.gz KNFJGFBITFRHAS-MUWHJKNJSA-N 1 0 278.240 3.264 10 0 CGAERO [NH3+][C@H](c1ccc(F)cc1)[C@@H](O)c1cccc2cccnc21 ZINC000165738835 346184604 /nfs/dbraw/zinc/18/46/04/346184604.db2.gz UFJXVEJPMIGNTM-WBVHZDCISA-N 1 0 282.318 3.107 10 0 CGAERO CCC(CC)CO[C@@H]1C[NH2+]CC[C@@H]1c1ccoc1 ZINC000168287612 346190558 /nfs/dbraw/zinc/19/05/58/346190558.db2.gz WEZPWYINNFMBFP-HUUCEWRRSA-N 1 0 251.370 3.178 10 0 CGAERO CC[NH2+][C@@H](C)c1c(F)cc(Br)cc1F ZINC000169184470 346192083 /nfs/dbraw/zinc/19/20/83/346192083.db2.gz TWJLQPWZECHCBW-LURJTMIESA-N 1 0 264.113 3.398 10 0 CGAERO O=C1c2ccccc2[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000196661172 346276617 /nfs/dbraw/zinc/27/66/17/346276617.db2.gz ZDIZFIPGMNJLCS-DLBZAZTESA-N 1 0 263.340 3.099 10 0 CGAERO CN(C(=O)OC(C)(C)C)c1cccc([C@H]2CC[NH2+]C2)c1 ZINC000218940305 346294389 /nfs/dbraw/zinc/29/43/89/346294389.db2.gz VCIHOCIREAWDOH-ZDUSSCGKSA-N 1 0 276.380 3.135 10 0 CGAERO C[C@@H]1CC[C@H](C)[C@@]2(C[NH+]=C(N)N2Cc2ccccc2)C1 ZINC000223672766 346300855 /nfs/dbraw/zinc/30/08/55/346300855.db2.gz MMNXQBDYVIGXOY-KEYYUXOJSA-N 1 0 271.408 3.012 10 0 CGAERO CC1(C)C[NH2+]C[C@@H]1c1ccc(Br)cc1 ZINC000215124343 346288880 /nfs/dbraw/zinc/28/88/80/346288880.db2.gz YMDHIJBUTRVQTE-LLVKDONJSA-N 1 0 254.171 3.162 10 0 CGAERO [NH3+]C[C@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)nc1 ZINC000217377101 346291248 /nfs/dbraw/zinc/29/12/48/346291248.db2.gz HIFAECYAJZMISZ-GFCCVEGCSA-N 1 0 284.256 3.330 10 0 CGAERO CC[C@@]1(c2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000233973462 346330268 /nfs/dbraw/zinc/33/02/68/346330268.db2.gz MGQUZSVCIXSPLA-JQWIXIFHSA-N 1 0 254.171 3.076 10 0 CGAERO C[C@@H](C[NH2+]Cc1ccccc1)C(=O)OCc1ccccc1 ZINC000235142393 346333952 /nfs/dbraw/zinc/33/39/52/346333952.db2.gz VDHXMKZCEVGCQC-HNNXBMFYSA-N 1 0 283.371 3.156 10 0 CGAERO Cc1sc(C(C)(C)CC[NH3+])cc1Br ZINC000227868595 346312113 /nfs/dbraw/zinc/31/21/13/346312113.db2.gz XOQUEJOJHRFOKT-UHFFFAOYSA-N 1 0 262.216 3.445 10 0 CGAERO Cc1cccc([C@H]([NH3+])C(C)C)c1I ZINC000229297471 346316936 /nfs/dbraw/zinc/31/69/36/346316936.db2.gz DYIVXYCOXMSNDI-LLVKDONJSA-N 1 0 289.160 3.255 10 0 CGAERO [NH3+][C@H]1CCC[C@@H]1c1cccc(Br)c1F ZINC000229828537 346318379 /nfs/dbraw/zinc/31/83/79/346318379.db2.gz NNGREOBEGXPGCG-XCBNKYQSSA-N 1 0 258.134 3.183 10 0 CGAERO C[C@H]1C[NH2+][C@H](c2cc(Br)cs2)CS1 ZINC000229867264 346319156 /nfs/dbraw/zinc/31/91/56/346319156.db2.gz YLSMSFPGHUSPHB-XPUUQOCRSA-N 1 0 278.240 3.277 10 0 CGAERO C[C@@H]1C[C@H](c2cc(F)ccc2Br)C[NH2+]1 ZINC000235366230 346335109 /nfs/dbraw/zinc/33/51/09/346335109.db2.gz SQQFSUMUCMYZKB-SFYZADRCSA-N 1 0 258.134 3.054 10 0 CGAERO c1ccc(CNC2=[NH+][C@@H]3CCCC[C@H]3CS2)cc1 ZINC000231331723 346323145 /nfs/dbraw/zinc/32/31/45/346323145.db2.gz XYAYKXXKMMJQKW-UONOGXRCSA-N 1 0 260.406 3.438 10 0 CGAERO CC(C)[C@H]([NH3+])c1sccc1I ZINC000238186503 346348066 /nfs/dbraw/zinc/34/80/66/346348066.db2.gz OOXFFBBRAGHIJF-ZETCQYMHSA-N 1 0 281.162 3.009 10 0 CGAERO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC1=[NH+]CCCC1 ZINC000306583279 346455360 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ZINC000358038675 233044907 /nfs/dbraw/zinc/04/49/07/233044907.db2.gz OWICJURVWBYTTL-LLVKDONJSA-N 1 0 292.452 3.260 10 0 CGAERO CC(C)Oc1ccc(-c2cncc([C@H]3CCC[NH2+]3)n2)cc1 ZINC000616576531 348834312 /nfs/dbraw/zinc/83/43/12/348834312.db2.gz VPHBYJNYWHQYQI-OAHLLOKOSA-N 1 0 283.375 3.355 10 0 CGAERO COc1ccc([C@@H]2CCOCC[N@@H+]2C(C)(C)C)cc1 ZINC000616597041 348839866 /nfs/dbraw/zinc/83/98/66/348839866.db2.gz AAABKWLDXOQMQA-HNNXBMFYSA-N 1 0 263.381 3.257 10 0 CGAERO CC(C)[N@@H+]1CCCOC[C@H]1c1ccc2ncccc2c1 ZINC000616596601 348840071 /nfs/dbraw/zinc/84/00/71/348840071.db2.gz DFZQZZBBSAGARB-KRWDZBQOSA-N 1 0 270.376 3.407 10 0 CGAERO CC(C)(C)[N@@H+]1CCCO[C@@H](c2ccc3ccnnc3c2)C1 ZINC000616599295 348841654 /nfs/dbraw/zinc/84/16/54/348841654.db2.gz SMPLTYRZHVPBPQ-MRXNPFEDSA-N 1 0 285.391 3.192 10 0 CGAERO CC(C)[N@@H+]1CCCOC[C@@H]1c1cccc2cnccc21 ZINC000616599243 348841792 /nfs/dbraw/zinc/84/17/92/348841792.db2.gz JENAUPSFYDQWGT-QGZVFWFLSA-N 1 0 270.376 3.407 10 0 CGAERO 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c1cc([C@H]2CCCC[N@@H+](Cc3ccccc3)C2)n[nH]1 ZINC000616630176 348852809 /nfs/dbraw/zinc/85/28/09/348852809.db2.gz SXTAITTYTAAWDX-HNNXBMFYSA-N 1 0 255.365 3.179 10 0 CGAERO CC(C)(C)[N@@H+]1CCO[C@H](c2cccc3cccnc32)C1 ZINC000616649555 348855374 /nfs/dbraw/zinc/85/53/74/348855374.db2.gz YWWWLDLLPSAOLD-HNNXBMFYSA-N 1 0 270.376 3.407 10 0 CGAERO CC[N@@H+]1CCCO[C@H](c2cccc3cccnc32)C1 ZINC000616650050 348855631 /nfs/dbraw/zinc/85/56/31/348855631.db2.gz RFCSQCVNJZQVRV-HNNXBMFYSA-N 1 0 256.349 3.018 10 0 CGAERO CC(C)[N@@H+]1CCCO[C@H](c2ccnc3ccccc32)C1 ZINC000616650120 348856891 /nfs/dbraw/zinc/85/68/91/348856891.db2.gz UGFISKFLGHRAPP-KRWDZBQOSA-N 1 0 270.376 3.407 10 0 CGAERO CC(C)[N@@H+]1CCCO[C@@H](c2ccc3ccccc3n2)C1 ZINC000616653853 348857920 /nfs/dbraw/zinc/85/79/20/348857920.db2.gz WPPJOLWTSAXDFS-QGZVFWFLSA-N 1 0 270.376 3.407 10 0 CGAERO CC(C)[N@@H+]1CCOC[C@@H](c2cc3ccccc3cn2)C1 ZINC000616660721 348858990 /nfs/dbraw/zinc/85/89/90/348858990.db2.gz NUOISJUAWXKBTN-INIZCTEOSA-N 1 0 270.376 3.059 10 0 CGAERO COc1ccc([C@H]2COCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000616664240 348859973 /nfs/dbraw/zinc/85/99/73/348859973.db2.gz XZCZFZKTTPUEJE-GOSISDBHSA-N 1 0 297.398 3.311 10 0 CGAERO CC(C)(C)[N@@H+]1CCc2ccccc2[C@H]1c1ncc[nH]1 ZINC000616679746 348864599 /nfs/dbraw/zinc/86/45/99/348864599.db2.gz WNKSNINOAAUMLN-AWEZNQCLSA-N 1 0 255.365 3.156 10 0 CGAERO [NH3+]CCN1CCc2ccccc2[C@H]1c1ccccc1Cl ZINC000616679868 348865818 /nfs/dbraw/zinc/86/58/18/348865818.db2.gz ZPRHTIHHCPOJLO-KRWDZBQOSA-N 1 0 286.806 3.246 10 0 CGAERO Cc1cc(C[NH2+]C(C)C)ccc1Sc1nccn1C ZINC000104294502 185958022 /nfs/dbraw/zinc/95/80/22/185958022.db2.gz NDSHCGOZPKEMEV-UHFFFAOYSA-N 1 0 275.421 3.378 10 0 CGAERO Cc1nn(C)c(Sc2cccc(Cl)c2)c1C[C@H](C)[NH3+] ZINC000104288989 185955862 /nfs/dbraw/zinc/95/58/62/185955862.db2.gz IPXZMEUZUVMJTF-VIFPVBQESA-N 1 0 295.839 3.423 10 0 CGAERO [NH3+]CCc1ccc(Sc2nc3ccccc3[nH]2)cc1 ZINC000104295036 185957505 /nfs/dbraw/zinc/95/75/05/185957505.db2.gz MHDNHHSHGJLNJU-UHFFFAOYSA-N 1 0 269.373 3.215 10 0 CGAERO [NH3+]Cc1c(Sc2ccccc2F)nc2ccccn21 ZINC000104301729 185959325 /nfs/dbraw/zinc/95/93/25/185959325.db2.gz MVGBTCYCYWLVFJ-UHFFFAOYSA-N 1 0 273.336 3.083 10 0 CGAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000624258348 350012159 /nfs/dbraw/zinc/01/21/59/350012159.db2.gz HMRDDFBSAAOGPD-KGLIPLIRSA-N 1 0 262.397 3.482 10 0 CGAERO CCCCCNC(=O)[C@@H](C)[NH2+][C@H](C)C(CC)CC ZINC000104437357 186001781 /nfs/dbraw/zinc/00/17/81/186001781.db2.gz CNBSWDTXCZYKGF-CHWSQXEVSA-N 1 0 256.434 3.096 10 0 CGAERO CC[C@H]([NH3+])Cc1cc(F)ccc1Sc1ccncn1 ZINC000104449484 186005725 /nfs/dbraw/zinc/00/57/25/186005725.db2.gz UARYNYLWPVACLA-LBPRGKRZSA-N 1 0 277.368 3.047 10 0 CGAERO COCCCS[C@@H](c1ccccc1Cl)[C@H](C)[NH3+] ZINC000104448047 186005937 /nfs/dbraw/zinc/00/59/37/186005937.db2.gz VAMJYYCGABYPEA-GXFFZTMASA-N 1 0 273.829 3.498 10 0 CGAERO Clc1cc([C@@H]2[NH2+]CCCc3ccccc32)ccn1 ZINC000091303815 180130902 /nfs/dbraw/zinc/13/09/02/180130902.db2.gz ZLRVXZOYGMHSMO-HNNXBMFYSA-N 1 0 258.752 3.360 10 0 CGAERO [NH3+]C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)CO ZINC000091362207 180141658 /nfs/dbraw/zinc/14/16/58/180141658.db2.gz RYJVKZDSPVLVMZ-MHWRWJLKSA-N 1 0 292.382 3.024 10 0 CGAERO CC(C)C[C@H](CO)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000040775041 137887397 /nfs/dbraw/zinc/88/73/97/137887397.db2.gz IABQCZUAQLPQAQ-CXAGYDPISA-N 1 0 261.409 3.233 10 0 CGAERO C[C@H]([NH3+])c1nc2cccc(F)c2n1-c1ccccc1 ZINC000091692134 180228383 /nfs/dbraw/zinc/22/83/83/180228383.db2.gz BQFVGDNNCHAEIK-JTQLQIEISA-N 1 0 255.296 3.184 10 0 CGAERO CC(C)C[C@@](C)(C[NH3+])NC(=O)CCC1CCCCC1 ZINC000122099177 187014776 /nfs/dbraw/zinc/01/47/76/187014776.db2.gz CLADMRPUGVKZBK-INIZCTEOSA-N 1 0 268.445 3.227 10 0 CGAERO CCc1nccn1[C@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000122849494 187055341 /nfs/dbraw/zinc/05/53/41/187055341.db2.gz DTLPISRGPADXSF-HOTGVXAUSA-N 1 0 273.424 3.439 10 0 CGAERO Cc1cnc([C@H](C)[NH2+]C[C@H]2Cc3ccccc32)s1 ZINC000124276820 187130046 /nfs/dbraw/zinc/13/00/46/187130046.db2.gz HQPKRWIZOCODSV-WCQYABFASA-N 1 0 258.390 3.442 10 0 CGAERO C[C@@H]1CC[C@H](C)[N@H+]1C[C@H](O)COCc1ccc(Cl)cc1 ZINC000123319924 187084996 /nfs/dbraw/zinc/08/49/96/187084996.db2.gz DIIDTFUQJUQWFK-ZENOOKHLSA-N 1 0 297.826 3.090 10 0 CGAERO CN(C(=O)CCCC1CCCCC1)[C@H]1CCC[NH2+]CC1 ZINC000364651324 234056801 /nfs/dbraw/zinc/05/68/01/234056801.db2.gz XWIZQJQPNSYSJM-INIZCTEOSA-N 1 0 280.456 3.338 10 0 CGAERO CCOc1ccccc1[C@H](C)NCC[C@H]1CCC[N@@H+]1C ZINC000271637668 191252645 /nfs/dbraw/zinc/25/26/45/191252645.db2.gz CCONYHVYSWMMFH-LSDHHAIUSA-N 1 0 276.424 3.220 10 0 CGAERO CCn1cc(C[NH2+][C@@H]2CC(C)(C)Oc3ccccc32)cn1 ZINC000152996246 188057515 /nfs/dbraw/zinc/05/75/15/188057515.db2.gz NAWFQAGQEZIETC-OAHLLOKOSA-N 1 0 285.391 3.295 10 0 CGAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2CO)s1 ZINC000153717239 188098800 /nfs/dbraw/zinc/09/88/00/188098800.db2.gz MZRLSYKZDRKIFO-XQQFMLRXSA-N 1 0 253.411 3.258 10 0 CGAERO CC[C@@H](CCO)C[NH2+][C@@H](Cc1ccccc1OC)C(C)C ZINC000166849866 188640350 /nfs/dbraw/zinc/64/03/50/188640350.db2.gz CESAAYYTJVHSSZ-RDJZCZTQSA-N 1 0 293.451 3.261 10 0 CGAERO CSc1cccc2c3c([nH]c21)CC[C@H]([NH+](C)C)C3 ZINC000169346208 188660101 /nfs/dbraw/zinc/66/01/01/188660101.db2.gz FYHTZOKZGTVVRI-JTQLQIEISA-N 1 0 260.406 3.309 10 0 CGAERO CC(C)CCN(C(=O)C1CCC([NH3+])CC1)C1CCCC1 ZINC000094847837 571941664 /nfs/dbraw/zinc/94/16/64/571941664.db2.gz ARKIRTLNRMLGOP-UHFFFAOYSA-N 1 0 280.456 3.321 10 0 CGAERO C[C@H]1C[C@@H]([N@H+](C)Cc2cc[nH]c2)CCN1Cc1ccccc1 ZINC000093318359 138345244 /nfs/dbraw/zinc/34/52/44/138345244.db2.gz QLDMJBNZZVYROW-LPHOPBHVSA-N 1 0 297.446 3.500 10 0 CGAERO Cc1ccccc1C[NH+]1CCC(Cc2nccn2C)CC1 ZINC000106164596 138353699 /nfs/dbraw/zinc/35/36/99/138353699.db2.gz RWOHEURWZMNPQN-UHFFFAOYSA-N 1 0 283.419 3.183 10 0 CGAERO Cc1cc(C(=O)Nc2cccc3c2C[NH2+]CC3)ccc1F ZINC000123525910 138368070 /nfs/dbraw/zinc/36/80/70/138368070.db2.gz YBYLPUDNBFQHEN-UHFFFAOYSA-N 1 0 284.334 3.032 10 0 CGAERO C[C@H](Cc1nc(C2([NH3+])CCCC2)no1)C(C)(C)C ZINC000111656018 138364392 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CC[N@@H+](Cc1cccs1)C[C@@H]1CCC[C@H](O)C1 ZINC000383939138 392923267 /nfs/dbraw/zinc/92/32/67/392923267.db2.gz UUFCHRKMPFGKPW-OLZOCXBDSA-N 1 0 253.411 3.121 10 0 CGAERO CCCCOC[C@H](O)C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000195213714 392962683 /nfs/dbraw/zinc/96/26/83/392962683.db2.gz ZJYJJXBDQHKWPN-JKSUJKDBSA-N 1 0 279.424 3.132 10 0 CGAERO Cc1ccccc1[C@@H]1[C@H]([NH3+])CCN1C(=O)OC(C)(C)C ZINC000218721346 392997248 /nfs/dbraw/zinc/99/72/48/392997248.db2.gz GNTSHPVIHRBXTC-ZIAGYGMSSA-N 1 0 276.380 3.004 10 0 CGAERO Cc1cc2[nH]c(-c3cc[n+](C)cc3)nc2cc1Cl ZINC000226773633 393016172 /nfs/dbraw/zinc/01/61/72/393016172.db2.gz VDNXDPDEJJMAGL-UHFFFAOYSA-O 1 0 258.732 3.016 10 0 CGAERO C[C@H](COCc1ccccc1)[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000648464938 393035150 /nfs/dbraw/zinc/03/51/50/393035150.db2.gz CTNPLCJQTPZTRC-AIANPOQGSA-N 1 0 277.408 3.137 10 0 CGAERO [NH3+]C1CCN(c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000037635586 134847186 /nfs/dbraw/zinc/84/71/86/134847186.db2.gz OZAAEGZXLRLASH-UHFFFAOYSA-N 1 0 278.705 3.286 10 0 CGAERO CC[C@H]1CN(c2ccc(Cl)c(Cl)c2)CC[NH2+]1 ZINC000083061001 135013477 /nfs/dbraw/zinc/01/34/77/135013477.db2.gz NYWOLCIDNMFBMQ-VIFPVBQESA-N 1 0 259.180 3.182 10 0 CGAERO CC(C)[C@H]1CN(c2cccc(Cl)c2F)[C@H](C)C[NH2+]1 ZINC000083518093 135026731 /nfs/dbraw/zinc/02/67/31/135026731.db2.gz JTKXWLYEIALLKE-ZYHUDNBSSA-N 1 0 270.779 3.302 10 0 CGAERO CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@@H]([NH3+])C3(CCCC3)[C@H]21 ZINC000669383868 543103809 /nfs/dbraw/zinc/10/38/09/543103809.db2.gz LTZGYQWCOIRLKA-MCIONIFRSA-N 1 0 294.439 3.294 10 0 CGAERO FC(F)(F)Oc1ccc(C[NH2+]CC[C@@H]2CCCO2)cc1 ZINC000037988852 397609389 /nfs/dbraw/zinc/60/93/89/397609389.db2.gz OWSOWBGUPGAPHN-LBPRGKRZSA-N 1 0 289.297 3.244 10 0 CGAERO Brc1ccc(C[NH2+]CC[C@@H]2CCCO2)s1 ZINC000037988830 397609705 /nfs/dbraw/zinc/60/97/05/397609705.db2.gz KIIXXXZXXGCBGB-VIFPVBQESA-N 1 0 290.226 3.169 10 0 CGAERO [NH2+]=C1CCCCN1Cc1csc(Br)c1 ZINC000306555182 397678279 /nfs/dbraw/zinc/67/82/79/397678279.db2.gz FGDMNNGUOLCKPI-UHFFFAOYSA-N 1 0 273.199 3.474 10 0 CGAERO CC(C)([NH3+])[C@@H](F)c1cscc1Br ZINC000306557969 397678287 /nfs/dbraw/zinc/67/82/87/397678287.db2.gz OMUCVXNARRTYQK-ZETCQYMHSA-N 1 0 252.152 3.259 10 0 CGAERO CCOc1ccccc1[C@H](C)[NH2+]Cc1cc[nH]c(=O)c1 ZINC000392627132 397693691 /nfs/dbraw/zinc/69/36/91/397693691.db2.gz HDPKFOUTNLQELN-LBPRGKRZSA-N 1 0 272.348 3.037 10 0 CGAERO Cc1sc2ncnc(NCCC3CC[NH2+]CC3)c2c1C ZINC000650311329 397814934 /nfs/dbraw/zinc/81/49/34/397814934.db2.gz WZDVEYNCUDDOLR-UHFFFAOYSA-N 1 0 290.436 3.110 10 0 CGAERO CN1CC[C@H]([NH3+])C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000675055790 543311491 /nfs/dbraw/zinc/31/14/91/543311491.db2.gz YESNNNGQMYZEHR-RYUDHWBXSA-N 1 0 259.180 3.087 10 0 CGAERO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccc(Cl)o1 ZINC000678291246 543512110 /nfs/dbraw/zinc/51/21/10/543512110.db2.gz IQKLGYKEHLHSLR-QWHCGFSZSA-N 1 0 282.815 3.382 10 0 CGAERO c1cc2c(o1)CCC[C@@H]2[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000249024563 296608646 /nfs/dbraw/zinc/60/86/46/296608646.db2.gz KTDDTWNGWPEFHA-INWMFGNUSA-N 1 0 293.432 3.301 10 0 CGAERO Cc1ccc2nc([C@H]3CCCN3C3CC[NH2+]CC3)oc2c1 ZINC000038042527 292393611 /nfs/dbraw/zinc/39/36/11/292393611.db2.gz NTKFQWHEDKWPMX-OAHLLOKOSA-N 1 0 285.391 3.025 10 0 CGAERO Cc1ccc2nc([C@@H]3CCCN3C3CC[NH2+]CC3)oc2c1 ZINC000038042526 292393707 /nfs/dbraw/zinc/39/37/07/292393707.db2.gz NTKFQWHEDKWPMX-HNNXBMFYSA-N 1 0 285.391 3.025 10 0 CGAERO C[C@@H](NC(=O)C[C@H]1CCC[NH2+]1)c1ccc(C(C)(C)C)cc1 ZINC000042166501 286891956 /nfs/dbraw/zinc/89/19/56/286891956.db2.gz QZZDMCFPGCHVHV-CZUORRHYSA-N 1 0 288.435 3.303 10 0 CGAERO CC(C)[C@H]1CCCN(C(=O)[C@](C)([NH3+])c2ccccc2)CC1 ZINC000079341223 287055615 /nfs/dbraw/zinc/05/56/15/287055615.db2.gz ZHADVDOFUXJXOO-MAUKXSAKSA-N 1 0 288.435 3.145 10 0 CGAERO C[C@@H]([NH2+][C@H]1CCCC[C@H]1O)c1ccccc1Cl ZINC000148759651 287067105 /nfs/dbraw/zinc/06/71/05/287067105.db2.gz ABSNFKKFZRMELP-DDTOSNHZSA-N 1 0 253.773 3.294 10 0 CGAERO Cc1ccc(OC2CC[NH+](C[C@H]3CCCO3)CC2)cc1C ZINC000076686219 165117424 /nfs/dbraw/zinc/11/74/24/165117424.db2.gz CCAHXMRTVLYPTB-GOSISDBHSA-N 1 0 289.419 3.326 10 0 CGAERO C[C@H](NC(=O)[C@@H]1CCCCC[NH2+]1)c1cccc(Cl)c1 ZINC000080997391 165162415 /nfs/dbraw/zinc/16/24/15/165162415.db2.gz COYQLTHLPSZBJB-FZMZJTMJSA-N 1 0 280.799 3.049 10 0 CGAERO C[C@@H]([NH2+]C[C@H](C)CO)c1ccc(Cl)c(Cl)c1 ZINC000083220139 165173652 /nfs/dbraw/zinc/17/36/52/165173652.db2.gz NRAUUWUXCHAESM-DTWKUNHWSA-N 1 0 262.180 3.272 10 0 CGAERO C[C@@H]1CCC[C@H](CC[NH+]2CCC(n3cncn3)CC2)C1 ZINC000089122690 165201511 /nfs/dbraw/zinc/20/15/11/165201511.db2.gz LGMTXEBLNSPNDX-HUUCEWRRSA-N 1 0 276.428 3.131 10 0 CGAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000089732629 165215081 /nfs/dbraw/zinc/21/50/81/165215081.db2.gz SOJDHRILSLDLKF-RDJZCZTQSA-N 1 0 296.418 3.105 10 0 CGAERO CCCn1ccc(C[NH2+][C@H](C)c2cccc(O)c2)c1 ZINC000091012062 165250470 /nfs/dbraw/zinc/25/04/70/165250470.db2.gz ZYXKXBDXPVDSGL-CYBMUJFWSA-N 1 0 258.365 3.455 10 0 CGAERO C[N@H+](CCc1nccs1)Cc1c[nH]nc1-c1ccccc1 ZINC000093843824 165339004 /nfs/dbraw/zinc/33/90/04/165339004.db2.gz DVRLJYMZKALJNW-UHFFFAOYSA-N 1 0 298.415 3.208 10 0 CGAERO CCn1cc([C@H](C)[NH2+]C[C@H]2CCN(C)c3ccccc32)cn1 ZINC000180019821 165649566 /nfs/dbraw/zinc/64/95/66/165649566.db2.gz IYSNEYLCLOCZBL-LSDHHAIUSA-N 1 0 298.434 3.177 10 0 CGAERO C[C@H]1CCN(Cc2ccc(Cl)c(F)c2)[C@H](C[NH3+])C1 ZINC000261550536 165813679 /nfs/dbraw/zinc/81/36/79/165813679.db2.gz OSPCYLVVBKHEMV-JQWIXIFHSA-N 1 0 270.779 3.038 10 0 CGAERO C[C@@H](c1cccc(F)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000056494437 287143441 /nfs/dbraw/zinc/14/34/41/287143441.db2.gz JMKWNYQNMRTJHN-AWEZNQCLSA-N 1 0 276.399 3.447 10 0 CGAERO Cn1c(C[NH2+]Cc2ccccc2)cc2ccccc21 ZINC000006675652 170225387 /nfs/dbraw/zinc/22/53/87/170225387.db2.gz OAQQDVNMYJHDCM-UHFFFAOYSA-N 1 0 250.345 3.468 10 0 CGAERO CC(C)NC(=O)[C@@H](C)[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000006968167 170259595 /nfs/dbraw/zinc/25/95/95/170259595.db2.gz XZNMRYOANGZQEN-DAZFMJRUSA-N 1 0 292.467 3.094 10 0 CGAERO COc1ccc(C[C@H]([NH3+])c2ccc(F)cc2)cc1OC ZINC000011605316 170426705 /nfs/dbraw/zinc/42/67/05/170426705.db2.gz PBMOTWKDHSKHBQ-AWEZNQCLSA-N 1 0 275.323 3.085 10 0 CGAERO Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C[NH+]1CCCC1)O2 ZINC000013651331 170573680 /nfs/dbraw/zinc/57/36/80/170573680.db2.gz KBOHFCCUJZGPGL-GOSISDBHSA-N 1 0 289.419 3.497 10 0 CGAERO Cc1ccc(COc2ccc(CC(N)=[NH2+])cc2)cc1 ZINC000019424158 170794244 /nfs/dbraw/zinc/79/42/44/170794244.db2.gz NFWYLXLVAIWPRB-UHFFFAOYSA-N 1 0 254.333 3.052 10 0 CGAERO NC(=[NH2+])c1ccc(Oc2ccc(Cl)cc2Cl)nc1 ZINC000019438467 170800994 /nfs/dbraw/zinc/80/09/94/170800994.db2.gz AVWYMUKHLNSRTD-UHFFFAOYSA-N 1 0 282.130 3.465 10 0 CGAERO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CN3CCC2CC3)c1 ZINC000019947474 170937514 /nfs/dbraw/zinc/93/75/14/170937514.db2.gz AFGQTTFGIUYADE-YOEHRIQHSA-N 1 0 258.409 3.048 10 0 CGAERO [NH3+][C@H](Cc1ccc(F)cc1)c1ccc2c(c1)CCO2 ZINC000019971052 170954767 /nfs/dbraw/zinc/95/47/67/170954767.db2.gz ORNBXDAFKLCHIT-OAHLLOKOSA-N 1 0 257.308 3.003 10 0 CGAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1cc(F)ccc1F ZINC000020207420 171072420 /nfs/dbraw/zinc/07/24/20/171072420.db2.gz LSHVIUPRZBIIEB-BHDSKKPTSA-N 1 0 255.308 3.183 10 0 CGAERO Cc1ccccc1CN(C)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000020225648 171088414 /nfs/dbraw/zinc/08/84/14/171088414.db2.gz GXAZVZFOSOTCFY-KRWDZBQOSA-N 1 0 272.367 3.266 10 0 CGAERO Cc1ccc([C@H]([NH3+])Cn2ccnc2C(C)C)c(C)c1 ZINC000020261846 171118815 /nfs/dbraw/zinc/11/88/15/171118815.db2.gz ZTEVAPFPGVNGMX-OAHLLOKOSA-N 1 0 257.381 3.323 10 0 CGAERO N[C@H]1c2ccccc2CC[C@H]1[NH+]1CCCCCCC1 ZINC000020265509 171122389 /nfs/dbraw/zinc/12/23/89/171122389.db2.gz KCVSIAIXOUHLRS-SJORKVTESA-N 1 0 258.409 3.267 10 0 CGAERO COc1ccc([C@H]([NH3+])c2ccc(Cl)s2)cc1OC ZINC000020375131 171170506 /nfs/dbraw/zinc/17/05/06/171170506.db2.gz RCNFMUIKLIAZKS-ZDUSSCGKSA-N 1 0 283.780 3.467 10 0 CGAERO [NH3+][C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000020429174 171194611 /nfs/dbraw/zinc/19/46/11/171194611.db2.gz MGPBYHWAPBRAHN-ZDUSSCGKSA-N 1 0 277.165 3.087 10 0 CGAERO CC[NH+](CC)CCNc1ccc(OC(C)C)cc1 ZINC000020473122 171216588 /nfs/dbraw/zinc/21/65/88/171216588.db2.gz FHNXGLLIEARUHF-UHFFFAOYSA-N 1 0 250.386 3.228 10 0 CGAERO CCC(C)(C)O[C@@H](C)[C@H]([NH3+])c1ccc(OC)cc1 ZINC000020511962 171231134 /nfs/dbraw/zinc/23/11/34/171231134.db2.gz ZYFBAUOPAFRBMY-FZMZJTMJSA-N 1 0 251.370 3.289 10 0 CGAERO COc1cccc([C@H]([NH3+])c2ccc(OC)c(Cl)c2)c1 ZINC000020521849 171234947 /nfs/dbraw/zinc/23/49/47/171234947.db2.gz QWBMDRCBGZKSHC-HNNXBMFYSA-N 1 0 277.751 3.405 10 0 CGAERO CCC[NH+](CCC)[C@]1(CN)CCCc2ccccc21 ZINC000020551781 171247585 /nfs/dbraw/zinc/24/75/85/171247585.db2.gz XMDLFIYQSAKGEW-KRWDZBQOSA-N 1 0 260.425 3.299 10 0 CGAERO Nc1c[nH+]ccc1Nc1ccc(F)cc1Br ZINC000020585845 171258879 /nfs/dbraw/zinc/25/88/79/171258879.db2.gz FYHPSJIWWFWIQC-UHFFFAOYSA-N 1 0 282.116 3.309 10 0 CGAERO CCCOc1ccccc1CNCCC[NH+](CC)CC ZINC000020967317 171282370 /nfs/dbraw/zinc/28/23/70/171282370.db2.gz PYMJBGQOTJRVAR-UHFFFAOYSA-N 1 0 278.440 3.297 10 0 CGAERO CCC(C)(C)[C@@H]1CC[C@@H](N)[C@@H]([NH+]2CCCCC2)C1 ZINC000021011854 171287784 /nfs/dbraw/zinc/28/77/84/171287784.db2.gz MVTVUKANGSUAKD-KFWWJZLASA-N 1 0 252.446 3.405 10 0 CGAERO CCCc1ccc([C@H](N)C[NH+]2CCC(C)CC2)cc1 ZINC000021499777 171304364 /nfs/dbraw/zinc/30/43/64/171304364.db2.gz GHUOKXODQDMUGF-QGZVFWFLSA-N 1 0 260.425 3.371 10 0 CGAERO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CC(C)(C)N1CCOCC1 ZINC000021791516 171324083 /nfs/dbraw/zinc/32/40/83/171324083.db2.gz QBYQQHSFRIXGSA-ULQDDVLXSA-N 1 0 296.499 3.148 10 0 CGAERO CC[NH+](CC)CCNc1c(F)c(F)c(F)c(F)c1F ZINC000021810383 171329038 /nfs/dbraw/zinc/32/90/38/171329038.db2.gz QPKKSVBMADJQKC-UHFFFAOYSA-N 1 0 282.256 3.136 10 0 CGAERO [NH3+]CCc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000021954209 171340825 /nfs/dbraw/zinc/34/08/25/171340825.db2.gz HDUGRYZPVGIWKY-UHFFFAOYSA-N 1 0 282.265 3.394 10 0 CGAERO CCOc1cc2c(cc1C[NH2+]C(C)(C)C)O[C@H](C)C2 ZINC000021959839 171342483 /nfs/dbraw/zinc/34/24/83/171342483.db2.gz BLKJTOFSNANUGE-LLVKDONJSA-N 1 0 263.381 3.297 10 0 CGAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccc(C(C)(C)C)cc2)C[C@H](C)O1 ZINC000022168001 171366923 /nfs/dbraw/zinc/36/69/23/171366923.db2.gz OXRVNGPFEPZKQN-VBQJREDUSA-N 1 0 290.451 3.093 10 0 CGAERO CCOc1ccc([C@H](C[NH3+])N(C)c2ccccc2)cc1 ZINC000022212594 171374075 /nfs/dbraw/zinc/37/40/75/171374075.db2.gz CTTGRIFZBGAVER-KRWDZBQOSA-N 1 0 270.376 3.222 10 0 CGAERO Cc1c(N)cccc1NC(=O)CC[NH+]1[C@H](C)CCC[C@H]1C ZINC000022218248 171376267 /nfs/dbraw/zinc/37/62/67/171376267.db2.gz RHAIGZHAHUUSCK-CHWSQXEVSA-N 1 0 289.423 3.169 10 0 CGAERO C[C@H]([NH3+])c1cccc(NC(=O)CCc2ccccc2)c1 ZINC000022219551 171377488 /nfs/dbraw/zinc/37/74/88/171377488.db2.gz ZQZGWAITWOAIQQ-ZDUSSCGKSA-N 1 0 268.360 3.278 10 0 CGAERO [NH3+]C[C@@H](c1ccc(F)c(F)c1)N1CCc2ccccc2C1 ZINC000022220377 171377886 /nfs/dbraw/zinc/37/78/86/171377886.db2.gz JSEHLZYGWUOZLB-KRWDZBQOSA-N 1 0 288.341 3.023 10 0 CGAERO C[C@@H]1C[C@@H]1c1ccc([C@@H](C[NH3+])N2CCCC[C@@H]2C)o1 ZINC000022223305 171379425 /nfs/dbraw/zinc/37/94/25/171379425.db2.gz HQHQPJSFLDSFMT-ZOBORPQBSA-N 1 0 262.397 3.277 10 0 CGAERO N[C@@H]1c2ccccc2CCC[C@@H]1[NH+]1CCCCCC1 ZINC000023066674 171407917 /nfs/dbraw/zinc/40/79/17/171407917.db2.gz GHTZBVYZPDEUIT-DLBZAZTESA-N 1 0 258.409 3.267 10 0 CGAERO CCOc1ccc([C@H]([NH3+])CN2CCc3ccccc32)cc1 ZINC000023067187 171408191 /nfs/dbraw/zinc/40/81/91/171408191.db2.gz VTWGWMUDSRZWQP-QGZVFWFLSA-N 1 0 282.387 3.148 10 0 CGAERO CCOc1ccc([C@H]([NH3+])COC2CCCCC2)cc1 ZINC000023069176 171409623 /nfs/dbraw/zinc/40/96/23/171409623.db2.gz PHOAKLDHBWPDNX-MRXNPFEDSA-N 1 0 263.381 3.434 10 0 CGAERO COc1cccc([C@@H](CN)[NH+](CC(C)C)CC(C)C)c1 ZINC000032049670 171691736 /nfs/dbraw/zinc/69/17/36/171691736.db2.gz PFNKIXYHKOGYPQ-QGZVFWFLSA-N 1 0 278.440 3.309 10 0 CGAERO CCC[C@H]([NH2+]C[C@@H]1CCCN(C(=O)C(C)C)C1)C(C)C ZINC000032529586 171731813 /nfs/dbraw/zinc/73/18/13/171731813.db2.gz OXDNWWREPAFFNK-HOTGVXAUSA-N 1 0 282.472 3.295 10 0 CGAERO CCOc1ccc(C(=O)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000034989376 171916660 /nfs/dbraw/zinc/91/66/60/171916660.db2.gz WDDGIYITVRQQGB-KBPBESRZSA-N 1 0 275.392 3.246 10 0 CGAERO COc1cccc(C[NH2+][C@H](C)C(C)C)c1OC(F)F ZINC000035161379 172020709 /nfs/dbraw/zinc/02/07/09/172020709.db2.gz AANDEVHNRTXKIE-SNVBAGLBSA-N 1 0 273.323 3.431 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCCc2ccccc21)C(=O)NC1CCCC1 ZINC000035179115 172031949 /nfs/dbraw/zinc/03/19/49/172031949.db2.gz MMUSSNZWABYNLV-SUMWQHHRSA-N 1 0 286.419 3.101 10 0 CGAERO C[C@@H]([NH2+][C@@H]1CCc2ccccc21)C(=O)Nc1ccccc1 ZINC000035180562 172034158 /nfs/dbraw/zinc/03/41/58/172034158.db2.gz VFMWYOWBTKTGDQ-CXAGYDPISA-N 1 0 280.371 3.291 10 0 CGAERO COc1ccc(C(C)=O)cc1C[N@H+](C)[C@H](C)C1CC1 ZINC000035224983 172069588 /nfs/dbraw/zinc/06/95/88/172069588.db2.gz NLQABZICVPCNMZ-LLVKDONJSA-N 1 0 261.365 3.128 10 0 CGAERO FC(F)(F)[C@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1 ZINC000035258149 172089708 /nfs/dbraw/zinc/08/97/08/172089708.db2.gz JGETYMNJXKWUQW-RYUDHWBXSA-N 1 0 258.287 3.292 10 0 CGAERO Cc1occc1[C@@H]([NH3+])c1cc2c(cc1Cl)OCCO2 ZINC000035382027 172164411 /nfs/dbraw/zinc/16/44/11/172164411.db2.gz HABFVIGMXMHGHH-CQSZACIVSA-N 1 0 279.723 3.061 10 0 CGAERO CCCOc1ccc(C[NH2+]C)c(O[C@H](C)CC)c1 ZINC000035414102 172187303 /nfs/dbraw/zinc/18/73/03/172187303.db2.gz ZGTOQEFQRIOOFS-GFCCVEGCSA-N 1 0 251.370 3.372 10 0 CGAERO C[NH2+][C@H](CC(C)(C)C)c1ccc(OC)c(OC)c1 ZINC000035463357 172211728 /nfs/dbraw/zinc/21/17/28/172211728.db2.gz NKVJUFJAQPUPCC-GFCCVEGCSA-N 1 0 251.370 3.401 10 0 CGAERO CCC(CC)[C@@H]([NH2+]C)c1ccc(OC)cc1OC ZINC000035489111 172223815 /nfs/dbraw/zinc/22/38/15/172223815.db2.gz OIWOJGQGQIWGSQ-OAHLLOKOSA-N 1 0 251.370 3.401 10 0 CGAERO C[NH2+][C@H](Cc1ncc[nH]1)c1c(Cl)cccc1Cl ZINC000035504282 172238455 /nfs/dbraw/zinc/23/84/55/172238455.db2.gz LPQVPZDTEWUOPT-SNVBAGLBSA-N 1 0 270.163 3.220 10 0 CGAERO CCC[NH2+][C@H](c1ccc(OC)c(OC)c1)C(C)C ZINC000035574571 172271185 /nfs/dbraw/zinc/27/11/85/172271185.db2.gz MYFGXYFUOSQLQE-HNNXBMFYSA-N 1 0 251.370 3.401 10 0 CGAERO Brc1ccc2oc([C@@H]3C[NH2+]CCCO3)cc2c1 ZINC000035598733 172287785 /nfs/dbraw/zinc/28/77/85/172287785.db2.gz RISMHZKWRIZOJD-ZDUSSCGKSA-N 1 0 296.164 3.246 10 0 CGAERO Cc1ccc(CN(C)c2cccc(F)c2[C@H](C)[NH3+])o1 ZINC000035699864 172368119 /nfs/dbraw/zinc/36/81/19/172368119.db2.gz WBOFZVJITMAJHV-NSHDSACASA-N 1 0 262.328 3.383 10 0 CGAERO CN(Cc1cccs1)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000035717076 172371314 /nfs/dbraw/zinc/37/13/14/172371314.db2.gz WFXDZDQEOWWLOJ-CQSZACIVSA-N 1 0 264.369 3.019 10 0 CGAERO [NH3+]Cc1cccnc1Oc1ccc(Br)cc1 ZINC000035719802 172374041 /nfs/dbraw/zinc/37/40/41/172374041.db2.gz KIEASCREBBSNBU-UHFFFAOYSA-N 1 0 279.137 3.095 10 0 CGAERO [NH3+]Cc1cccnc1Sc1ccc(C(F)(F)F)cn1 ZINC000035720130 172374678 /nfs/dbraw/zinc/37/46/78/172374678.db2.gz LOQIKUCKTFHCPN-UHFFFAOYSA-N 1 0 285.294 3.105 10 0 CGAERO [NH3+]Cc1cccnc1Sc1ccccc1Cl ZINC000035720096 172374866 /nfs/dbraw/zinc/37/48/66/172374866.db2.gz HAQFDDBQHYCBCP-UHFFFAOYSA-N 1 0 250.754 3.345 10 0 CGAERO COc1cccc(S[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000035723294 172378549 /nfs/dbraw/zinc/37/85/49/172378549.db2.gz IYNRRKALDLMCBN-FZMZJTMJSA-N 1 0 251.395 3.305 10 0 CGAERO Cc1csc(S[C@@H]2C[C@@H](C)CC[C@@H]2C[NH3+])n1 ZINC000035724653 172379889 /nfs/dbraw/zinc/37/98/89/172379889.db2.gz CEDKBAKAXVOSJV-JMJZKYOTSA-N 1 0 256.440 3.307 10 0 CGAERO CC[C@H](CC(N)=[NH2+])Sc1nc2ccccc2s1 ZINC000036681097 172651968 /nfs/dbraw/zinc/65/19/68/172651968.db2.gz XIUAKOYSAPWNIB-MRVPVSSYSA-N 1 0 265.407 3.493 10 0 CGAERO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1COc2cc(O)ccc21 ZINC000037032207 172899799 /nfs/dbraw/zinc/89/97/99/172899799.db2.gz UTKGHVJLNZRQQE-KCPJHIHWSA-N 1 0 261.365 3.384 10 0 CGAERO [NH3+]C[C@@H](c1cc(F)ccc1F)N1CCCCCCC1 ZINC000037233569 173052551 /nfs/dbraw/zinc/05/25/51/173052551.db2.gz GYDAWSKPDAHUNK-HNNXBMFYSA-N 1 0 268.351 3.231 10 0 CGAERO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccc2c(c1)CCO2 ZINC000037242877 173058647 /nfs/dbraw/zinc/05/86/47/173058647.db2.gz ODCCMRXZQOULHS-RCBQFDQVSA-N 1 0 275.392 3.230 10 0 CGAERO Cc1cccc([C@@H]([NH3+])c2ccc3c(c2)CCCC(=O)N3)c1 ZINC000037371273 173159966 /nfs/dbraw/zinc/15/99/66/173159966.db2.gz HXWCDETZYCMQRA-GOSISDBHSA-N 1 0 280.371 3.318 10 0 CGAERO O[C@H](c1cc(Cl)ccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000037378763 173166937 /nfs/dbraw/zinc/16/69/37/173166937.db2.gz LLRBRQISVSMGIF-PELKAZGASA-N 1 0 260.164 3.026 10 0 CGAERO CCn1c2ccc(C)cc2nc1[C@H]([NH3+])CCSC ZINC000037438097 173208611 /nfs/dbraw/zinc/20/86/11/173208611.db2.gz AWQPCKPTHVKLNG-LLVKDONJSA-N 1 0 263.410 3.118 10 0 CGAERO CCn1c2ccc(Cl)cc2nc1[C@H]1CCC[NH2+]C1 ZINC000037440329 173210581 /nfs/dbraw/zinc/21/05/81/173210581.db2.gz KHUICTHTWVJUNU-JTQLQIEISA-N 1 0 263.772 3.177 10 0 CGAERO CCn1c2ccc(Br)cc2nc1[C@H]([NH3+])C(C)C ZINC000037441521 173210985 /nfs/dbraw/zinc/21/09/85/173210985.db2.gz QAHGHVHSLQFKJJ-GFCCVEGCSA-N 1 0 296.212 3.475 10 0 CGAERO CC[C@@H](C)[C@H]([NH3+])c1nc2cc(Br)ccc2n1C ZINC000037441368 173211077 /nfs/dbraw/zinc/21/10/77/173211077.db2.gz XNNCMUJVIGGEEB-PELKAZGASA-N 1 0 296.212 3.382 10 0 CGAERO CC(C)C[C@@H]([NH3+])c1nc2cc(Br)ccc2n1C ZINC000037441277 173211108 /nfs/dbraw/zinc/21/11/08/173211108.db2.gz ZDRBOBPKCZPLJH-SNVBAGLBSA-N 1 0 296.212 3.382 10 0 CGAERO CC(C)C[C@H]([NH3+])c1nc2cccc(Cl)c2n1C ZINC000037443471 173212039 /nfs/dbraw/zinc/21/20/39/173212039.db2.gz OZEUPKWVPLGJBM-JTQLQIEISA-N 1 0 251.761 3.273 10 0 CGAERO [NH3+][C@H](Cc1ccccc1Br)c1ccccn1 ZINC000037466303 173226560 /nfs/dbraw/zinc/22/65/60/173226560.db2.gz UKUWZYKKJBYNGT-GFCCVEGCSA-N 1 0 277.165 3.087 10 0 CGAERO CCCCCC[C@H](C)[NH2+][C@H](C)C(=O)N1CCCCC1 ZINC000037495423 173234764 /nfs/dbraw/zinc/23/47/64/173234764.db2.gz JASGEBXPMVAYIR-LSDHHAIUSA-N 1 0 268.445 3.336 10 0 CGAERO CCC[NH2+][C@H](c1ccncc1)c1ccccc1OC ZINC000037534708 173254618 /nfs/dbraw/zinc/25/46/18/173254618.db2.gz AKOVHNKCFZSROO-MRXNPFEDSA-N 1 0 256.349 3.179 10 0 CGAERO CCC[NH2+][C@@H](C[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000037535265 173254661 /nfs/dbraw/zinc/25/46/61/173254661.db2.gz WBOFCSMTSQTSMW-GJZGRUSLSA-N 1 0 251.345 3.436 10 0 CGAERO COC(C[NH2+][C@@H](C)c1ccc(CC(C)C)cc1)OC ZINC000037566536 173514476 /nfs/dbraw/zinc/51/44/76/173514476.db2.gz ILRLIHTZCIATAC-ZDUSSCGKSA-N 1 0 265.397 3.155 10 0 CGAERO Cc1ccc(C)c(-c2c[nH]c(CC[NH2+]C(C)C)n2)c1 ZINC000037619009 173568344 /nfs/dbraw/zinc/56/83/44/173568344.db2.gz RODHMIODGZMELO-UHFFFAOYSA-N 1 0 257.381 3.234 10 0 CGAERO [NH3+]CCc1c(OCC(F)(F)F)ccc2ccccc21 ZINC000037721522 173639956 /nfs/dbraw/zinc/63/99/56/173639956.db2.gz BAFJNYLSURWSBE-UHFFFAOYSA-N 1 0 269.266 3.282 10 0 CGAERO CCOc1cc(C[C@H](C)[NH3+])ccc1O[C@@H](C)CC ZINC000037726105 173644616 /nfs/dbraw/zinc/64/46/16/173644616.db2.gz AQDVSGDAMABLPW-RYUDHWBXSA-N 1 0 251.370 3.152 10 0 CGAERO CC[C@H]([NH3+])Cc1cccc(OC)c1OC1CCCC1 ZINC000037727886 173647251 /nfs/dbraw/zinc/64/72/51/173647251.db2.gz JJRLOLALXIXQJG-ZDUSSCGKSA-N 1 0 263.381 3.296 10 0 CGAERO CSCCC[NH2+][C@H](C)Cc1c(F)cccc1F ZINC000037776122 173707760 /nfs/dbraw/zinc/70/77/60/173707760.db2.gz GMIFIGCADSRABN-SNVBAGLBSA-N 1 0 259.365 3.239 10 0 CGAERO C[C@@H](CNc1ccc(Br)cn1)[NH+]1CCCCC1 ZINC000038029338 174019740 /nfs/dbraw/zinc/01/97/40/174019740.db2.gz QHRIVEZJMBZNKD-NSHDSACASA-N 1 0 298.228 3.130 10 0 CGAERO Cc1cc(Br)cc(C)c1NC1CC[NH2+]CC1 ZINC000038041500 174041935 /nfs/dbraw/zinc/04/19/35/174041935.db2.gz MHQJYLGVPPLINU-UHFFFAOYSA-N 1 0 283.213 3.230 10 0 CGAERO C[NH2+]Cc1ccc(F)c(-c2cc(F)cc(F)c2)c1 ZINC000038070269 174081519 /nfs/dbraw/zinc/08/15/19/174081519.db2.gz IDTMQGZGQDDFMS-UHFFFAOYSA-N 1 0 251.251 3.490 10 0 CGAERO COc1ccc(-c2ccc(OC)c(C[NH3+])c2)c(C)c1 ZINC000038072702 174083227 /nfs/dbraw/zinc/08/32/27/174083227.db2.gz FUPXJTLYNMCULG-UHFFFAOYSA-N 1 0 257.333 3.138 10 0 CGAERO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2cc(F)ccc2F)o1 ZINC000038097694 174111806 /nfs/dbraw/zinc/11/18/06/174111806.db2.gz AIWWRAJALQOFQG-IINYFYTJSA-N 1 0 281.302 3.250 10 0 CGAERO CC[NH2+][C@@H](CCOC)Cc1cccc2ccccc21 ZINC000038131917 174132286 /nfs/dbraw/zinc/13/22/86/174132286.db2.gz QSOHSFCAVKRIBH-INIZCTEOSA-N 1 0 257.377 3.397 10 0 CGAERO Cc1ccc(C(=O)[C@@H](C)C[NH+]2CCCCC2)cc1O ZINC000038678838 174151478 /nfs/dbraw/zinc/15/14/78/174151478.db2.gz DPTIOTYHVFZYFS-ZDUSSCGKSA-N 1 0 261.365 3.005 10 0 in-vitro CGAERO CCOc1cccc(-c2nc(C)c(CC[NH3+])s2)c1 ZINC000041354407 174532517 /nfs/dbraw/zinc/53/25/17/174532517.db2.gz FROXRKODYGNVLF-UHFFFAOYSA-N 1 0 262.378 3.018 10 0 CGAERO C[NH2+]C[C@@H](c1ccc(OC)cc1OC)C1CCCC1 ZINC000041356927 174534962 /nfs/dbraw/zinc/53/49/62/174534962.db2.gz FYWCLFCKACIICG-OAHLLOKOSA-N 1 0 263.381 3.197 10 0 CGAERO Cc1ccc([C@H]([C@@H](C)[NH3+])N(C)Cc2ccco2)cc1 ZINC000042908372 174909226 /nfs/dbraw/zinc/90/92/26/174909226.db2.gz SQRVJJBWVGCMLJ-CJNGLKHVSA-N 1 0 258.365 3.108 10 0 CGAERO [NH3+]C[C@@H](OCc1cccs1)c1ccc(F)cc1 ZINC000042942738 174918377 /nfs/dbraw/zinc/91/83/77/174918377.db2.gz DVQNXSAFLZDEML-CYBMUJFWSA-N 1 0 251.326 3.104 10 0 CGAERO COC(=O)CCS[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH3+] ZINC000042951095 174923484 /nfs/dbraw/zinc/92/34/84/174923484.db2.gz UAIDYBYJPILWNL-RNCFNFMXSA-N 1 0 287.812 3.025 10 0 CGAERO C[C@H]([NH3+])[C@@H](Sc1ncccn1)c1ccc(Cl)cc1 ZINC000042950561 174923762 /nfs/dbraw/zinc/92/37/62/174923762.db2.gz IIJWRKSLXFROMQ-JOYOIKCWSA-N 1 0 279.796 3.311 10 0 CGAERO Cc1ccc(CN(C2CCCC2)[C@H]2CC[NH2+]C2)c(C)c1 ZINC000043082632 174962992 /nfs/dbraw/zinc/96/29/92/174962992.db2.gz WWLCBRBYWYZCBR-SFHVURJKSA-N 1 0 272.436 3.410 10 0 CGAERO CC[C@@H]([NH3+])[C@@H](Sc1nncn1C)c1ccccc1Cl ZINC000043089305 174963665 /nfs/dbraw/zinc/96/36/65/174963665.db2.gz LTJDVCAVDTYSBQ-NEPJUHHUSA-N 1 0 296.827 3.039 10 0 CGAERO C[C@H]([NH3+])[C@H](c1cccs1)N(C)Cc1ccc(F)cc1 ZINC000043104058 174969492 /nfs/dbraw/zinc/96/94/92/174969492.db2.gz VHJWQCPOSHQOQH-XHDPSFHLSA-N 1 0 278.396 3.408 10 0 CGAERO [NH3+]CCc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000043490851 175057119 /nfs/dbraw/zinc/05/71/19/175057119.db2.gz JPFICMAMWJJAOV-UHFFFAOYSA-N 1 0 261.752 3.420 10 0 CGAERO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(C(C)(C)C)cc2)C[C@H](C)O1 ZINC000044116959 175141911 /nfs/dbraw/zinc/14/19/11/175141911.db2.gz NKPDROWSEYUENV-VBQJREDUSA-N 1 0 291.435 3.127 10 0 CGAERO COc1ccc([C@@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1OC ZINC000044121981 175143101 /nfs/dbraw/zinc/14/31/01/175143101.db2.gz JGJQJSLGRXWYLN-YDHLFZDLSA-N 1 0 293.407 3.000 10 0 CGAERO C[C@@H](c1ccc(Cl)s1)N1CCCC[C@@H]1C[NH3+] ZINC000044540392 175200706 /nfs/dbraw/zinc/20/07/06/175200706.db2.gz VFHSAYCXZWAXNF-VHSXEESVSA-N 1 0 258.818 3.276 10 0 CGAERO CC(C)CCOCC[NH2+][C@H]1CCc2c1cccc2O ZINC000045094087 175307036 /nfs/dbraw/zinc/30/70/36/175307036.db2.gz UJKFRGQXMSKHEG-HNNXBMFYSA-N 1 0 263.381 3.032 10 0 CGAERO Clc1ccc(-c2nccc(C[NH2+]C3CC3)n2)cc1 ZINC000045206140 175327690 /nfs/dbraw/zinc/32/76/90/175327690.db2.gz BPJRLMAWKXZIOP-UHFFFAOYSA-N 1 0 259.740 3.049 10 0 CGAERO CCC[NH2+][C@H]1CCN(c2ccc(C)c(Br)c2)C1 ZINC000070940851 176014698 /nfs/dbraw/zinc/01/46/98/176014698.db2.gz QNNBWJGLRMJMTL-LBPRGKRZSA-N 1 0 297.240 3.336 10 0 CGAERO CCOc1cccc(C[NH2+][C@H]2CCC[C@@H]2C)c1OC ZINC000071206527 176080435 /nfs/dbraw/zinc/08/04/35/176080435.db2.gz QKPHBWQEQSHGHX-JSGCOSHPSA-N 1 0 263.381 3.372 10 0 CGAERO Cc1ccccc1N(C)Cc1ccc(F)cc1C[NH3+] ZINC000071263587 176096791 /nfs/dbraw/zinc/09/67/91/176096791.db2.gz ODADKHDCTQRELG-UHFFFAOYSA-N 1 0 258.340 3.229 10 0 CGAERO CCCN([C@@H](c1cccs1)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000071315004 176121537 /nfs/dbraw/zinc/12/15/37/176121537.db2.gz ZQRCHTRKVNCGDU-UKRRQHHQSA-N 1 0 264.438 3.273 10 0 CGAERO CC[C@H]1C[N@H+](CCCc2ccccc2)[C@H](C(C)C)CN1 ZINC000071343714 176131092 /nfs/dbraw/zinc/13/10/92/176131092.db2.gz KNAUXHUEIZMOJC-ROUUACIJSA-N 1 0 274.452 3.328 10 0 CGAERO C[C@H]([NH3+])C1(Cc2ccc(Br)cc2)CC1 ZINC000071575419 176202701 /nfs/dbraw/zinc/20/27/01/176202701.db2.gz SJHCBJBPSKBREX-VIFPVBQESA-N 1 0 254.171 3.119 10 0 CGAERO CC[C@@H](C)c1ccc(-c2c[nH]c(CC[NH2+]C)n2)cc1 ZINC000071582909 176207878 /nfs/dbraw/zinc/20/78/78/176207878.db2.gz HBRUICCIMZJCNL-GFCCVEGCSA-N 1 0 257.381 3.352 10 0 CGAERO CCN(c1ccccc1)c1ccc(CC[NH3+])cc1F ZINC000071584483 176208953 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CC(C)(C)c1ccc(S(=O)(=O)C[C@@H]([NH3+])C(C)(C)C)cc1 ZINC000075417419 176698035 /nfs/dbraw/zinc/69/80/35/176698035.db2.gz KUZDTNADEOMTCE-CQSZACIVSA-N 1 0 297.464 3.131 10 0 CGAERO [NH3+]CC1(C(=O)Nc2ccc(Cl)cc2)CCCCC1 ZINC000076375625 177011063 /nfs/dbraw/zinc/01/10/63/177011063.db2.gz UZAZIYVCMCUQLL-UHFFFAOYSA-N 1 0 266.772 3.188 10 0 CGAERO [NH3+]CC1(c2ccc3c(c2)OCO3)CC2(C1)CCCCC2 ZINC000076418794 177023122 /nfs/dbraw/zinc/02/31/22/177023122.db2.gz FROUXGIPKZUJIM-UHFFFAOYSA-N 1 0 273.376 3.356 10 0 CGAERO CC(C)Oc1ccccc1NC(=O)C1(C[NH3+])CCCCC1 ZINC000076533508 177035034 /nfs/dbraw/zinc/03/50/34/177035034.db2.gz FWMFVGQIBLDADT-UHFFFAOYSA-N 1 0 290.407 3.322 10 0 CGAERO COc1ccc(Cl)cc1NC(=O)C1(C[NH3+])CCCCC1 ZINC000076569880 177040386 /nfs/dbraw/zinc/04/03/86/177040386.db2.gz QGVGVKLJWSVGFL-UHFFFAOYSA-N 1 0 296.798 3.196 10 0 CGAERO CC[C@H](C[NH3+])CC(=O)Nc1c(C)cccc1C(C)C ZINC000076675765 177055955 /nfs/dbraw/zinc/05/59/55/177055955.db2.gz MQTMXFWZQZZQBI-ZDUSSCGKSA-N 1 0 262.397 3.432 10 0 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HKTYBYYICQDKFK-JKIFEVAISA-N 1 0 260.425 3.227 10 0 CGAERO C[NH2+]C[C@@H](C(C)C)N(C)Cc1ccc(Cl)cc1 ZINC000052346264 522023225 /nfs/dbraw/zinc/02/32/25/522023225.db2.gz PWRIJYRLTZIFKR-AWEZNQCLSA-N 1 0 254.805 3.016 10 0 CGAERO C[NH2+]C[C@H](Cc1cscn1)Cc1ccccc1C ZINC000052978734 522074994 /nfs/dbraw/zinc/07/49/94/522074994.db2.gz LUALSHPYTLTYNE-ZDUSSCGKSA-N 1 0 260.406 3.072 10 0 CGAERO C[NH2+][C@@H](C)c1cnc(N(C)Cc2ccccc2)s1 ZINC000054901577 522337892 /nfs/dbraw/zinc/33/78/92/522337892.db2.gz IFVVSBKCWKCGGA-NSHDSACASA-N 1 0 261.394 3.060 10 0 CGAERO CC[C@H]([NH3+])[C@@H](c1ccco1)N1CCC(C)(C)CC1 ZINC000061818425 522339856 /nfs/dbraw/zinc/33/98/56/522339856.db2.gz FLOLFGYCEAESSG-JSGCOSHPSA-N 1 0 250.386 3.180 10 0 CGAERO C[NH2+][C@@H](C)c1nnc(-c2cc3ccccc3s2)o1 ZINC000050618569 522340937 /nfs/dbraw/zinc/34/09/37/522340937.db2.gz YNIVRLPWAPDJDB-QMMMGPOBSA-N 1 0 259.334 3.232 10 0 CGAERO C[NH2+][C@@H](Cc1csc(C)n1)Cc1cccc(F)c1F ZINC000055295189 522362779 /nfs/dbraw/zinc/36/27/79/522362779.db2.gz 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295.471 3.079 10 0 CGAERO CC[NH2+]C1CCN(c2cccc(Cl)c2C)CC1 ZINC000037635666 535452866 /nfs/dbraw/zinc/45/28/66/535452866.db2.gz HDOILAAKBJKWPJ-UHFFFAOYSA-N 1 0 252.789 3.227 10 0 CGAERO CCN1CCC[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C1 ZINC000040502027 535582550 /nfs/dbraw/zinc/58/25/50/535582550.db2.gz PYAJNQTYTWTHRM-AWEZNQCLSA-N 1 0 286.341 3.279 10 0 CGAERO CCOC(=O)CCC[N@@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000124619580 535633964 /nfs/dbraw/zinc/63/39/64/535633964.db2.gz FQNINVANCVCNLC-CQSZACIVSA-N 1 0 279.380 3.458 10 0 CGAERO CC[C@H]1C[NH2+][C@H](C)CN1c1ccc(N(CC)CC)cc1 ZINC000083545981 536169910 /nfs/dbraw/zinc/16/99/10/536169910.db2.gz UJXSWNNDTHCHQY-CABCVRRESA-N 1 0 275.440 3.110 10 0 CGAERO CCCC1(CCC)[NH2+]CC(C)(C)[C@]2(CCOC2)O1 ZINC000757149064 617809860 /nfs/dbraw/zinc/80/98/60/617809860.db2.gz VWXJDJKEKGOKJE-CQSZACIVSA-N 1 0 255.402 3.088 10 0 CGAERO CC(C)c1ccc([C@H]2C[NH2+]C[C@H]2C(=O)OC(C)(C)C)cc1 ZINC000757182879 617834310 /nfs/dbraw/zinc/83/43/10/617834310.db2.gz AWGWHUFIKZLKFL-HZPDHXFCSA-N 1 0 289.419 3.455 10 0 CGAERO CCC1CCC(c2noc(CC[NH2+]C(C)C)n2)CC1 ZINC000087933586 618089499 /nfs/dbraw/zinc/08/94/99/618089499.db2.gz QTXCJVIZBKAGIY-UHFFFAOYSA-N 1 0 265.401 3.294 10 0 CGAERO COCCC[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000395428313 619005453 /nfs/dbraw/zinc/00/54/53/619005453.db2.gz CRMYRVYFYNQIRI-MNOVXSKESA-N 1 0 257.324 3.431 10 0 CGAERO C(c1nc(C(C2CCC2)C2CCC2)no1)[C@H]1CCC[NH2+]1 ZINC000312225261 619047592 /nfs/dbraw/zinc/04/75/92/619047592.db2.gz BKQCPVVKLFXPPC-CYBMUJFWSA-N 1 0 275.396 3.048 10 0 CGAERO CN[C@H](C)c1nc(Cc2c(Cl)cccc2Cl)no1 ZINC000054053326 619252759 /nfs/dbraw/zinc/25/27/59/619252759.db2.gz KHZIQLCTRYYINE-SSDOTTSWSA-N 1 0 286.162 3.248 10 0 CGAERO CC(C)c1ccc(NC(=O)N[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000222587615 619400280 /nfs/dbraw/zinc/40/02/80/619400280.db2.gz HDQPLCJSDRVAFH-MRXNPFEDSA-N 1 0 287.407 3.026 10 0 CGAERO C([NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)C1CCCCCCC1 ZINC000261937403 619487419 /nfs/dbraw/zinc/48/74/19/619487419.db2.gz MLDAPCPZYBBMCG-KURKYZTESA-N 1 0 294.483 3.094 10 0 CGAERO CC1(C)C[C@H]1c1noc(CC[C@H]([NH3+])c2ccccc2)n1 ZINC000225472177 622912112 /nfs/dbraw/zinc/91/21/12/622912112.db2.gz KCTBUGVLLKKSIV-STQMWFEESA-N 1 0 271.364 3.216 10 0 CGAERO C[C@H]1C[N@H+](C[C@@H](O)c2ccc3ccccc3c2)C[C@H]1C ZINC000227330687 623015938 /nfs/dbraw/zinc/01/59/38/623015938.db2.gz YJEWSKLXEXBENR-QWQRMKEZSA-N 1 0 269.388 3.461 10 0 CGAERO C[C@H]([NH2+]C[C@@H]1COC(C)(C)O1)c1ccc(F)c(Cl)c1 ZINC000230209218 623221699 /nfs/dbraw/zinc/22/16/99/623221699.db2.gz LLJVTNLCNWIFSG-GXSJLCMTSA-N 1 0 287.762 3.281 10 0 CGAERO C[C@@H](Cc1nc(C[C@H]2CCC[NH2+]C2)no1)CC(C)(C)C ZINC000063084526 623292924 /nfs/dbraw/zinc/29/29/24/623292924.db2.gz RJEUQSPEDSLQQL-QWHCGFSZSA-N 1 0 279.428 3.227 10 0 CGAERO CCC[C@H]1C[C@H]1[NH2+]Cc1occc1Br ZINC000231674711 623335446 /nfs/dbraw/zinc/33/54/46/623335446.db2.gz FDOGMRBJMJPHSR-WCBMZHEXSA-N 1 0 258.159 3.320 10 0 CGAERO 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346070970 /nfs/dbraw/zinc/07/09/70/346070970.db2.gz ARKGELFDDWJBOX-UHFFFAOYSA-N 1 0 258.134 3.054 10 0 CGAERO CC[C@@]1(Cc2ccc(Br)o2)CCC[NH2+]1 ZINC000134348158 346080941 /nfs/dbraw/zinc/08/09/41/346080941.db2.gz OGEFOPQCDBAMMD-NSHDSACASA-N 1 0 258.159 3.117 10 0 CGAERO C[NH2+][C@H]1CSC[C@H]1Cc1sccc1Br ZINC000134596063 346083411 /nfs/dbraw/zinc/08/34/11/346083411.db2.gz RMQROOVYSUUDDE-APPZFPTMSA-N 1 0 292.267 3.004 10 0 CGAERO C[C@@H]1CC[NH2+]C[C@@H]1Cc1sccc1Br ZINC000135529662 346088090 /nfs/dbraw/zinc/08/80/90/346088090.db2.gz PMCOLCVASWUNDK-BDAKNGLRSA-N 1 0 274.227 3.299 10 0 CGAERO [NH3+]C[C@@H]1Cc2cc(Cl)cc(-c3ccccc3)c2O1 ZINC000137257856 346093405 /nfs/dbraw/zinc/09/34/05/346093405.db2.gz PLOMJZAUHRUVRN-ZDUSSCGKSA-N 1 0 259.736 3.269 10 0 CGAERO [NH3+][C@@H](Cc1ccoc1)c1ccc(Br)s1 ZINC000131245986 346064381 /nfs/dbraw/zinc/06/43/81/346064381.db2.gz GUZLAQJZOFYUMY-QMMMGPOBSA-N 1 0 272.167 3.346 10 0 CGAERO CCC(CC)NC(=O)C1=CC2(CC[NH2+]CC2)c2ccccc21 ZINC000140438321 346104696 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/nfs/dbraw/zinc/69/04/50/185690450.db2.gz MVTKJBFAVCWCHC-LLVKDONJSA-N 1 0 251.345 3.296 10 0 CGAERO CC[NH2+]CCCc1cn(C)c2c1cc(OC)cc2C ZINC000098160139 185694666 /nfs/dbraw/zinc/69/46/66/185694666.db2.gz MFJCXGKPUQUORZ-UHFFFAOYSA-N 1 0 260.381 3.037 10 0 CGAERO CC1(C)[C@H]([NH3+])[C@@]1(C)c1cc(Br)cs1 ZINC000300964436 346439343 /nfs/dbraw/zinc/43/93/43/346439343.db2.gz IQDWUNZEIXKJKT-WCBMZHEXSA-N 1 0 260.200 3.135 10 0 CGAERO C[C@@H]1C[C@@]2(C[N@@H+]1Cc1ccccc1)N[C@H](C)CCS2 ZINC000306149570 346451303 /nfs/dbraw/zinc/45/13/03/346451303.db2.gz AWNDXGCIXDNQCF-IIAWOOMASA-N 1 0 276.449 3.092 10 0 CGAERO Brc1csc([C@@H]2[NH2+]C[C@H]2C2CC2)c1 ZINC000306812440 346457841 /nfs/dbraw/zinc/45/78/41/346457841.db2.gz ZFGGBMOEYWWYKU-WCBMZHEXSA-N 1 0 258.184 3.181 10 0 CGAERO C[C@]1([C@H]([NH3+])c2ccc(Br)s2)C[C@@H]1F ZINC000306851356 346458598 /nfs/dbraw/zinc/45/85/98/346458598.db2.gz QHIRYGXYHIXHMC-ZQARSLAVSA-N 1 0 264.163 3.259 10 0 CGAERO C[C@]1(C[NH3+])CC[C@@H](c2csc(Br)c2)O1 ZINC000307689295 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CCCn1ccc(C[NH2+]CCc2ccc(OC)cc2)c1 ZINC000091009109 165249851 /nfs/dbraw/zinc/24/98/51/165249851.db2.gz XAOUORPXUUKTCV-UHFFFAOYSA-N 1 0 272.392 3.239 10 0 CGAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](c1ccccc1)C(C)C ZINC000091377453 165260010 /nfs/dbraw/zinc/26/00/10/165260010.db2.gz JERGMPNBHXELMF-JKSUJKDBSA-N 1 0 284.407 3.408 10 0 CGAERO C[NH2+]Cc1ccccc1NC(=O)[C@H]1CSc2ccccc21 ZINC000092239124 165286203 /nfs/dbraw/zinc/28/62/03/165286203.db2.gz CRMXOYFHMSLRCG-AWEZNQCLSA-N 1 0 298.411 3.234 10 0 CGAERO OC1CC(C[NH2+][C@@H]2CCCC[C@H]2C2CCCCC2)C1 ZINC000091524128 287108170 /nfs/dbraw/zinc/10/81/70/287108170.db2.gz LRDDUXGCIZICDN-MHVXSEJMSA-N 1 0 265.441 3.486 10 0 CGAERO CC[C@@H](NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccs1 ZINC000093677529 165333240 /nfs/dbraw/zinc/33/32/40/165333240.db2.gz RHEZEDWBDJUQQB-WTUNAVPPSA-N 1 0 292.448 3.236 10 0 CGAERO Cc1c(C[NH2+][C@@H](C)c2ccc(OC(C)C)cc2)cnn1C ZINC000093649438 165336456 /nfs/dbraw/zinc/33/64/56/165336456.db2.gz HMGCAKRVXYTRBQ-ZDUSSCGKSA-N 1 0 287.407 3.367 10 0 CGAERO COc1c(C[N@@H+]2CCC[C@H]2CCC(C)C)c(C)nn1C ZINC000093845072 165337575 /nfs/dbraw/zinc/33/75/75/165337575.db2.gz IBXPGQVNIQAEQF-AWEZNQCLSA-N 1 0 279.428 3.138 10 0 CGAERO Cc1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])c2ccccc2)cc1F ZINC000094956435 165397626 /nfs/dbraw/zinc/39/76/26/165397626.db2.gz JFNRGHROZYYBGW-WBMJQRKESA-N 1 0 286.350 3.011 10 0 CGAERO CSc1ccccc1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000169819862 165504627 /nfs/dbraw/zinc/50/46/27/165504627.db2.gz RROJHLOXVZZWAH-UHFFFAOYSA-N 1 0 272.373 3.120 10 0 CGAERO COCCC[C@H](C)[NH2+]C[C@@H]1CCN(C)c2ccccc21 ZINC000180017956 165650270 /nfs/dbraw/zinc/65/02/70/165650270.db2.gz ADBFAIARFXIQBJ-GJZGRUSLSA-N 1 0 276.424 3.015 10 0 CGAERO C[C@@H]1C[C@H]([NH2+]CCCOC[C@H]2CCCO2)CC(C)(C)C1 ZINC000252170888 165802421 /nfs/dbraw/zinc/80/24/21/165802421.db2.gz RDKKBRMYNJWEIS-OWCLPIDISA-N 1 0 283.456 3.377 10 0 CGAERO CC[C@H](C)c1cc(OC)c(C[C@@H](C)[NH3+])cc1OC ZINC000005925473 170156075 /nfs/dbraw/zinc/15/60/75/170156075.db2.gz VEQUTPSVRQTUHR-WDEREUQCSA-N 1 0 251.370 3.107 10 0 CGAERO Cc1cc(Cl)ccc1NC(=O)c1ccc(C[NH3+])cc1 ZINC000019507073 170818455 /nfs/dbraw/zinc/81/84/55/170818455.db2.gz YCSPIHCWHOVSCZ-UHFFFAOYSA-N 1 0 274.751 3.359 10 0 CGAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]C1CCC2(CC1)OCCO2 ZINC000019963332 170944833 /nfs/dbraw/zinc/94/48/33/170944833.db2.gz VVMXQFNNAHQCKS-GUTXKFCHSA-N 1 0 267.413 3.086 10 0 CGAERO COc1ccc(COc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000019965697 170947155 /nfs/dbraw/zinc/94/71/55/170947155.db2.gz CGJSSSKRTMRYGG-GFCCVEGCSA-N 1 0 257.333 3.294 10 0 CGAERO COCCc1ccc([C@@H]([NH3+])Cc2ccccc2F)cc1 ZINC000019970827 170953946 /nfs/dbraw/zinc/95/39/46/170953946.db2.gz PYHLFJQENNNFNE-KRWDZBQOSA-N 1 0 273.351 3.257 10 0 CGAERO COC[C@H](C)[NH2+]Cc1ccc(OCCC(C)C)cc1 ZINC000020087484 170988330 /nfs/dbraw/zinc/98/83/30/170988330.db2.gz OYQSCKCBXPQCBF-AWEZNQCLSA-N 1 0 265.397 3.236 10 0 CGAERO C[C@@H](NCC(C)(C)[NH+](C)C)c1nc2ccccc2s1 ZINC000020125879 171009957 /nfs/dbraw/zinc/00/99/57/171009957.db2.gz WCBLLPSVMLHZSV-LLVKDONJSA-N 1 0 277.437 3.287 10 0 CGAERO C[NH+](C)C[C@@H](NCc1ccc(F)cc1F)c1ccccc1 ZINC000020129240 171017429 /nfs/dbraw/zinc/01/74/29/171017429.db2.gz KHUIECNCQGKAQY-QGZVFWFLSA-N 1 0 290.357 3.357 10 0 CGAERO CC(C)[C@@H](C[NH2+]Cc1cccc(Cl)c1)N(C)C ZINC000020145815 171031035 /nfs/dbraw/zinc/03/10/35/171031035.db2.gz AYBRMRSOJNKJOM-CQSZACIVSA-N 1 0 254.805 3.016 10 0 CGAERO Fc1ccc(C[NH2+]CCCOCc2ccco2)cc1 ZINC000020146950 171033626 /nfs/dbraw/zinc/03/36/26/171033626.db2.gz KFWJALKXWVBYFK-UHFFFAOYSA-N 1 0 263.312 3.115 10 0 CGAERO C[C@H]([NH2+][C@H]1COc2cc(O)ccc21)c1cccs1 ZINC000020148467 171037142 /nfs/dbraw/zinc/03/71/42/171037142.db2.gz XCVFRULJZHZTLS-CABZTGNLSA-N 1 0 261.346 3.238 10 0 CGAERO [NH3+]CCc1sc(-c2cccnc2)nc1-c1ccccc1 ZINC000020184403 171047238 /nfs/dbraw/zinc/04/72/38/171047238.db2.gz AHHFDKNAHAYLOJ-UHFFFAOYSA-N 1 0 281.384 3.373 10 0 CGAERO Cc1ccccc1NC(=O)C[NH2+]Cc1ccc(Cl)cc1 ZINC000020210076 171073833 /nfs/dbraw/zinc/07/38/33/171073833.db2.gz GCDIVLCEOINLAZ-UHFFFAOYSA-N 1 0 288.778 3.377 10 0 CGAERO CN(Cc1ccccc1Cl)[C@@H](C[NH3+])c1ccccc1 ZINC000020225380 171087854 /nfs/dbraw/zinc/08/78/54/171087854.db2.gz KTCTXBFHRGWYAF-INIZCTEOSA-N 1 0 274.795 3.472 10 0 CGAERO [NH3+]CCCN(Cc1ccc(F)cc1)c1ccccc1 ZINC000020236883 171096287 /nfs/dbraw/zinc/09/62/87/171096287.db2.gz JLGPOHAHNGTOSS-UHFFFAOYSA-N 1 0 258.340 3.181 10 0 CGAERO CC(C)c1nccn1[C@@H]1CCc2ccccc2[C@H]1[NH3+] ZINC000020261728 171119321 /nfs/dbraw/zinc/11/93/21/171119321.db2.gz NZAQQMVOGAOGFH-HUUCEWRRSA-N 1 0 255.365 3.194 10 0 CGAERO [NH3+][C@H](c1ccc(Cl)s1)[C@@H]1Cc2ccccc2O1 ZINC000020374971 171170585 /nfs/dbraw/zinc/17/05/85/171170585.db2.gz CUUSBUVSYYWBKX-GWCFXTLKSA-N 1 0 265.765 3.405 10 0 CGAERO [NH3+][C@@H](Cc1ccccn1)c1ccc(Cl)cc1F ZINC000020429082 171194144 /nfs/dbraw/zinc/19/41/44/171194144.db2.gz UOEAGDQCXNYQSG-ZDUSSCGKSA-N 1 0 250.704 3.117 10 0 CGAERO CCCOc1ccc(OC[C@H]([NH3+])C(C)(C)C)cc1 ZINC000020473898 171218325 /nfs/dbraw/zinc/21/83/25/171218325.db2.gz FDZGLNRIVJBVDU-AWEZNQCLSA-N 1 0 251.370 3.228 10 0 CGAERO COC(C)(C)C[C@@H](C)[NH2+]C[C@H](c1cccs1)N(C)C ZINC000020524697 171237872 /nfs/dbraw/zinc/23/78/72/171237872.db2.gz QZRXFHQACDIZSK-CHWSQXEVSA-N 1 0 284.469 3.144 10 0 CGAERO CCC1CCC(CN)([NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000020557465 171250464 /nfs/dbraw/zinc/25/04/64/171250464.db2.gz UORMDBUNRHXFKM-FXQLRMTLSA-N 1 0 252.446 3.262 10 0 CGAERO CCCOc1ccc(C[NH2+]CCCOC(C)C)cc1OC ZINC000020931273 171280789 /nfs/dbraw/zinc/28/07/89/171280789.db2.gz CCUZIKMAGUSRNI-UHFFFAOYSA-N 1 0 295.423 3.389 10 0 CGAERO CN(c1ccccc1)[C@H](C[NH3+])c1ccc(Br)o1 ZINC000022162525 171364681 /nfs/dbraw/zinc/36/46/81/171364681.db2.gz XVSVXOACTMNIHY-LLVKDONJSA-N 1 0 295.180 3.178 10 0 CGAERO Cc1ccccc1C(=O)Nc1ccccc1[C@H](C)[NH3+] ZINC000022163919 171365233 /nfs/dbraw/zinc/36/52/33/171365233.db2.gz DDYUERSTQHAEBG-LBPRGKRZSA-N 1 0 254.333 3.267 10 0 CGAERO Cc1nccn1Cc1ccc(-c2ccccc2C[NH3+])cc1 ZINC000022172988 171368636 /nfs/dbraw/zinc/36/86/36/171368636.db2.gz QCLFNJXVYCVCCP-UHFFFAOYSA-N 1 0 277.371 3.366 10 0 CGAERO CN(c1ccccc1)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000022172151 171368811 /nfs/dbraw/zinc/36/88/11/171368811.db2.gz BKFWEHUMJNZVPZ-OAHLLOKOSA-N 1 0 260.768 3.476 10 0 CGAERO CC[NH+](CC)[C@@H](CN)c1ccc2cc(OC)ccc2c1 ZINC000022172359 171368847 /nfs/dbraw/zinc/36/88/47/171368847.db2.gz MMUIIPBDYOFJJL-KRWDZBQOSA-N 1 0 272.392 3.190 10 0 CGAERO CC(C)N(C)[C@H](C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000022178608 171371905 /nfs/dbraw/zinc/37/19/05/171371905.db2.gz VHLXLVGFNLMXCC-GFCCVEGCSA-N 1 0 260.303 3.045 10 0 CGAERO Cc1nccn1C[C@@H]([NH3+])c1ccc(C(C)(C)C)cc1 ZINC000022566223 171391723 /nfs/dbraw/zinc/39/17/23/171391723.db2.gz IQFIQTASJHMXNJ-OAHLLOKOSA-N 1 0 257.381 3.189 10 0 CGAERO Cc1ccc(O[C@H]2Cc3ccccc3[C@@H]2[NH3+])cc1C ZINC000022567225 171392654 /nfs/dbraw/zinc/39/26/54/171392654.db2.gz RBLIQFIMQMJNBX-IRXDYDNUSA-N 1 0 253.345 3.307 10 0 CGAERO [NH3+][C@@H]1CC[C@H](c2ccccc2)C[C@@H]1N1CCCCC1 ZINC000023067341 171408363 /nfs/dbraw/zinc/40/83/63/171408363.db2.gz XUZIDAXVHJMULS-BBWFWOEESA-N 1 0 258.409 3.136 10 0 CGAERO [NH3+][C@@H](CN1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000023070900 171410837 /nfs/dbraw/zinc/41/08/37/171410837.db2.gz BYGNHEACZPOPCW-KLZNEWFBSA-N 1 0 262.441 3.016 10 0 CGAERO CC(C)c1ccc([C@](O)(C[NH2+]C2CC2)C(C)C)cc1 ZINC000032112145 171704905 /nfs/dbraw/zinc/70/49/05/171704905.db2.gz NUBXUMZXXQRAJH-KRWDZBQOSA-N 1 0 261.409 3.406 10 0 CGAERO CCOc1ccccc1[C@@H](O)C[NH2+]C1CCCCC1 ZINC000032113107 171706441 /nfs/dbraw/zinc/70/64/41/171706441.db2.gz LBSZNIVIPHXSMR-HNNXBMFYSA-N 1 0 263.381 3.041 10 0 CGAERO CCCC([NH3+])(CCC)c1ccc(OC)c(OC)c1 ZINC000033649155 171816831 /nfs/dbraw/zinc/81/68/31/171816831.db2.gz TUDNCZCJEKKFMC-UHFFFAOYSA-N 1 0 251.370 3.458 10 0 CGAERO CC[NH2+][C@H](C)c1ccccc1Sc1nccn1C ZINC000034845938 171888811 /nfs/dbraw/zinc/88/88/11/171888811.db2.gz PMCSYSBTCNZHCC-LLVKDONJSA-N 1 0 261.394 3.242 10 0 CGAERO c1ccn2c(c1)nnc2C[NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000035012054 171929765 /nfs/dbraw/zinc/92/97/65/171929765.db2.gz IRRJXPHRUSDHGZ-ZNMIVQPWSA-N 1 0 284.407 3.178 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCc2ccccc21)C(=O)N1CCCCCC1 ZINC000035180621 172034365 /nfs/dbraw/zinc/03/43/65/172034365.db2.gz PKUGELPLLDKACQ-WMLDXEAASA-N 1 0 286.419 3.055 10 0 CGAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC000035221885 172064618 /nfs/dbraw/zinc/06/46/18/172064618.db2.gz AMRSQKYQOKONMJ-CZUORRHYSA-N 1 0 288.435 3.347 10 0 CGAERO CCCCC[C@@H]([NH3+])c1cc2c(cc1F)NC(=O)CC2 ZINC000035359631 172150041 /nfs/dbraw/zinc/15/00/41/172150041.db2.gz YZCAXGHQXLXGFM-CYBMUJFWSA-N 1 0 264.344 3.291 10 0 CGAERO CC(C)[N@H+](Cc1ccncc1)Cc1ccccc1N ZINC000035365784 172156120 /nfs/dbraw/zinc/15/61/20/172156120.db2.gz CYDJBQSYNXHUFN-UHFFFAOYSA-N 1 0 255.365 3.074 10 0 CGAERO C[NH2+][C@@H](c1cccs1)c1ccc(OC)cc1OC ZINC000035488086 172222717 /nfs/dbraw/zinc/22/27/17/172222717.db2.gz YUITTYZRITZERU-CQSZACIVSA-N 1 0 263.362 3.074 10 0 CGAERO CCC[C@@H]([NH2+]C)c1cc(OC)c(OC)cc1Cl ZINC000035501217 172235922 /nfs/dbraw/zinc/23/59/22/172235922.db2.gz NGKGKQILFLTYMF-LLVKDONJSA-N 1 0 257.761 3.418 10 0 CGAERO C[NH2+][C@@H](c1cc(Cl)ccc1Cl)[C@H]1CCCO1 ZINC000035501969 172236720 /nfs/dbraw/zinc/23/67/20/172236720.db2.gz HIBQJMDMQKWLRS-NEPJUHHUSA-N 1 0 260.164 3.433 10 0 CGAERO C[NH2+][C@H](c1ccccc1)c1ccc2c(c1)C[C@@H](C)O2 ZINC000035504581 172238464 /nfs/dbraw/zinc/23/84/64/172238464.db2.gz XNNYUJNSCASZDT-SJKOYZFVSA-N 1 0 253.345 3.319 10 0 CGAERO C[NH2+][C@H](c1ccsc1)c1ccc2c(c1)C[C@H](C)O2 ZINC000035504352 172238509 /nfs/dbraw/zinc/23/85/09/172238509.db2.gz DLAPFWLSASWCHM-BONVTDFDSA-N 1 0 259.374 3.380 10 0 CGAERO C[NH2+][C@H](c1ccoc1C)c1ccc2c(c1)C[C@@H](C)O2 ZINC000035504463 172238583 /nfs/dbraw/zinc/23/85/83/172238583.db2.gz CWTCJCSPFSVUJJ-HWPZZCPQSA-N 1 0 257.333 3.220 10 0 CGAERO C[NH2+][C@@H](c1cccs1)c1ccc2c(c1)C[C@@H](C)O2 ZINC000035504471 172238677 /nfs/dbraw/zinc/23/86/77/172238677.db2.gz XUBWOLSZVZMRAS-MEBBXXQBSA-N 1 0 259.374 3.380 10 0 CGAERO C[NH2+][C@@H](c1cc2c(cc1Cl)NC(=O)C2)C(C)(C)C ZINC000035507146 172239950 /nfs/dbraw/zinc/23/99/50/172239950.db2.gz ORKKLTASIADFQH-ZDUSSCGKSA-N 1 0 266.772 3.141 10 0 CGAERO CC[NH2+][C@H](c1ccc(OC)cc1OC)[C@@H](C)CC ZINC000035546075 172254563 /nfs/dbraw/zinc/25/45/63/172254563.db2.gz MHMAKUZSNMRIBR-NHYWBVRUSA-N 1 0 251.370 3.401 10 0 CGAERO CC[NH2+][C@H](c1cc2c(cc1Cl)OCCO2)[C@@H]1C[C@@H]1C ZINC000035557844 172263887 /nfs/dbraw/zinc/26/38/87/172263887.db2.gz VOFJMVCLPSJEIH-WMFXKJRFSA-N 1 0 281.783 3.418 10 0 CGAERO CCC[NH2+][C@@H]1CCOc2c(Br)cc(F)cc21 ZINC000035655168 172331262 /nfs/dbraw/zinc/33/12/62/172331262.db2.gz YPGIUZNWCAHWPN-LLVKDONJSA-N 1 0 288.160 3.411 10 0 CGAERO Fc1cc(Br)c2c(c1)[C@H]([NH2+]C1CC1)CCO2 ZINC000035655160 172331520 /nfs/dbraw/zinc/33/15/20/172331520.db2.gz LXOUBBNZVYOXBQ-LLVKDONJSA-N 1 0 286.144 3.164 10 0 CGAERO CC[NH2+][C@@H]1COc2c1cc(Cl)cc2Br ZINC000035655128 172331618 /nfs/dbraw/zinc/33/16/18/172331618.db2.gz TXFCSTPCXJOQCW-SECBINFHSA-N 1 0 276.561 3.146 10 0 CGAERO Cc1ccc(CN(C)c2ccc(F)cc2[C@@H](C)[NH3+])o1 ZINC000035699870 172367626 /nfs/dbraw/zinc/36/76/26/172367626.db2.gz AILQCIDJNNDEMN-LLVKDONJSA-N 1 0 262.328 3.383 10 0 CGAERO CN(Cc1ccco1)c1cccc(Cl)c1C[NH3+] ZINC000035716398 172370136 /nfs/dbraw/zinc/37/01/36/172370136.db2.gz UPFWPNPDERPHMM-UHFFFAOYSA-N 1 0 250.729 3.028 10 0 CGAERO CCCCCC[C@@H](C[NH3+])N(C)Cc1ccsc1 ZINC000035718993 172373492 /nfs/dbraw/zinc/37/34/92/172373492.db2.gz BYRBOWCHWHLQJF-AWEZNQCLSA-N 1 0 254.443 3.478 10 0 CGAERO CCC(CC)CN(CC)C(=O)CCCCCC[NH3+] ZINC000036199850 172511777 /nfs/dbraw/zinc/51/17/77/172511777.db2.gz ZWTIWJXSBYDIBL-UHFFFAOYSA-N 1 0 256.434 3.180 10 0 CGAERO C[C@H]([NH2+]C1CC(c2cccc(F)c2)C1)[C@H]1CCCO1 ZINC000036845044 172747255 /nfs/dbraw/zinc/74/72/55/172747255.db2.gz DJJBWGZHQBJACF-SXSDBLRQSA-N 1 0 263.356 3.229 10 0 CGAERO CC[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCCc2c1cnn2C ZINC000037032517 172899678 /nfs/dbraw/zinc/89/96/78/172899678.db2.gz BPZVRHKISFNGPI-NWANDNLSSA-N 1 0 261.413 3.356 10 0 CGAERO O[C@H]1CCC[C@@H]([NH2+]C2CC(c3ccc(Cl)cc3)C2)C1 ZINC000037166186 173000278 /nfs/dbraw/zinc/00/02/78/173000278.db2.gz AHUJMYRWQPDIMI-UHDQLFAASA-N 1 0 279.811 3.479 10 0 CGAERO [NH3+]C[C@H](Oc1ccc(Cl)cc1Cl)C(F)(F)F ZINC000037169987 173004913 /nfs/dbraw/zinc/00/49/13/173004913.db2.gz NLYZXOITCUHFSQ-QMMMGPOBSA-N 1 0 274.069 3.262 10 0 CGAERO [NH3+]C[C@@H](Oc1cccc(Cl)c1Cl)C(F)(F)F ZINC000037170096 173004920 /nfs/dbraw/zinc/00/49/20/173004920.db2.gz HAKIAFQNOGTGFF-SSDOTTSWSA-N 1 0 274.069 3.262 10 0 CGAERO [NH3+]CC[C@@H](O[C@H]1CCCc2ccccc21)C(F)(F)F ZINC000037179358 173013039 /nfs/dbraw/zinc/01/30/39/173013039.db2.gz KAQSGULVZNMJEI-QWHCGFSZSA-N 1 0 273.298 3.360 10 0 CGAERO CC[C@@H]1CCCCN1[C@@H](C[NH3+])c1cc(F)ccc1F ZINC000037233598 173052061 /nfs/dbraw/zinc/05/20/61/173052061.db2.gz VGDNBUWNPUITGQ-DOMZBBRYSA-N 1 0 268.351 3.229 10 0 CGAERO CCCCCC(=O)N(CCC[NH3+])c1cccc(C)c1 ZINC000037297382 173101174 /nfs/dbraw/zinc/10/11/74/173101174.db2.gz PBCNIELGCFQGGW-UHFFFAOYSA-N 1 0 262.397 3.257 10 0 CGAERO CC[C@H]([NH2+][C@@H](C)c1nnc2n1CCCCC2)C(C)C ZINC000037318553 173118322 /nfs/dbraw/zinc/11/83/22/173118322.db2.gz QQAXPEINQRBOSF-STQMWFEESA-N 1 0 264.417 3.090 10 0 CGAERO CCC(CC)[N@H+](C)CC(=O)c1ccc2c(c1)CCC2 ZINC000037339194 173140564 /nfs/dbraw/zinc/14/05/64/173140564.db2.gz KZBKUHRMMBWYBN-UHFFFAOYSA-N 1 0 259.393 3.478 10 0 CGAERO CCCn1c2ccc(Br)cc2nc1[C@H](C)[NH3+] ZINC000037441600 173210971 /nfs/dbraw/zinc/21/09/71/173210971.db2.gz IIQBQCBOKGDJBI-QMMMGPOBSA-N 1 0 282.185 3.229 10 0 CGAERO CC[C@H]([NH3+])c1nc2cc(Br)ccc2n1CC ZINC000037441461 173211020 /nfs/dbraw/zinc/21/10/20/173211020.db2.gz RPNBCYZVOCWIAK-VIFPVBQESA-N 1 0 282.185 3.229 10 0 CGAERO CCC[C@H]([NH3+])c1nc2cc(Br)ccc2n1C ZINC000037441326 173211430 /nfs/dbraw/zinc/21/14/30/173211430.db2.gz ULXUUROOOYXMPE-VIFPVBQESA-N 1 0 282.185 3.136 10 0 CGAERO CC(C)C[C@@H]([NH3+])Cc1cccc(Br)c1 ZINC000037466837 173226761 /nfs/dbraw/zinc/22/67/61/173226761.db2.gz BPBXKDZBPPVJQR-GFCCVEGCSA-N 1 0 256.187 3.365 10 0 CGAERO C[NH2+][C@@H](Cc1ccc(Br)cc1)C(C)C ZINC000037467406 173227120 /nfs/dbraw/zinc/22/71/20/173227120.db2.gz QDDBGTRKBMFEHL-LBPRGKRZSA-N 1 0 256.187 3.236 10 0 CGAERO [NH3+]CCc1cc(Cl)cc(Cl)c1OCC(F)(F)F ZINC000037722072 173640457 /nfs/dbraw/zinc/64/04/57/173640457.db2.gz ZCRKOKRVNWFQJU-UHFFFAOYSA-N 1 0 288.096 3.436 10 0 CGAERO CC[C@H]([NH3+])Cc1cc(Cl)ccc1OCC1CC1 ZINC000037726070 173644260 /nfs/dbraw/zinc/64/42/60/173644260.db2.gz FWTXLOJOVWKOKW-ZDUSSCGKSA-N 1 0 253.773 3.409 10 0 CGAERO CCC[NH2+]Cc1cc(F)ccc1N1CCC[C@H]1C ZINC000037911829 173844707 /nfs/dbraw/zinc/84/47/07/173844707.db2.gz JEIBDDHRCCHUSQ-GFCCVEGCSA-N 1 0 250.361 3.314 10 0 CGAERO C[C@@H](CN[C@@H](C)c1c(F)cccc1F)[NH+]1CCCCC1 ZINC000038028374 174016468 /nfs/dbraw/zinc/01/64/68/174016468.db2.gz MSGCGXDFONZFGH-STQMWFEESA-N 1 0 282.378 3.490 10 0 CGAERO COc1cccc([C@@H](C)[N@@H+]2CCc3c(N)cccc3C2)c1 ZINC000038032506 174029136 /nfs/dbraw/zinc/02/91/36/174029136.db2.gz RRYSALMBYXULLX-CYBMUJFWSA-N 1 0 282.387 3.397 10 0 CGAERO Clc1cc(Br)ccc1NC1CC[NH2+]CC1 ZINC000038040826 174040777 /nfs/dbraw/zinc/04/07/77/174040777.db2.gz DGXYZQMSWIXVTA-UHFFFAOYSA-N 1 0 289.604 3.266 10 0 CGAERO CCCn1c(C[NH2+][C@@H](C)[C@H]2CCCO2)nc2ccccc21 ZINC000038046711 174055421 /nfs/dbraw/zinc/05/54/21/174055421.db2.gz GHYRARPCMUYCJE-XJKSGUPXSA-N 1 0 287.407 3.103 10 0 CGAERO CC[C@@H]([NH2+]C)c1cccc(-c2c(C)nn(C)c2C)c1 ZINC000038073206 174083367 /nfs/dbraw/zinc/08/33/67/174083367.db2.gz NIDYKIHMRZTPKZ-OAHLLOKOSA-N 1 0 257.381 3.374 10 0 CGAERO COc1ccc(-c2ccc(OC)c(C[NH3+])c2)cc1C ZINC000038073619 174083869 /nfs/dbraw/zinc/08/38/69/174083869.db2.gz FHJVPMCAWCJELH-UHFFFAOYSA-N 1 0 257.333 3.138 10 0 CGAERO C[C@@H](CN[C@@H](CC(F)(F)F)c1ccccc1)[NH+](C)C ZINC000038087495 174099638 /nfs/dbraw/zinc/09/96/38/174099638.db2.gz LQRORXQUWVZBMY-AAEUAGOBSA-N 1 0 274.330 3.220 10 0 CGAERO C[NH2+][C@@H](Cc1ccccc1OC)c1cc(C)oc1C ZINC000038135004 174132343 /nfs/dbraw/zinc/13/23/43/174132343.db2.gz GPGNPZHVRTZCDQ-HNNXBMFYSA-N 1 0 259.349 3.408 10 0 CGAERO OC1(c2ccccc2)C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CC1 ZINC000038343381 174140975 /nfs/dbraw/zinc/14/09/75/174140975.db2.gz ULZDVVZWWQVWDE-JWTNVVGKSA-N 1 0 271.404 3.301 10 0 CGAERO COc1ccc(Cl)cc1C[C@H](CC[NH3+])C1CC1 ZINC000041324009 174520609 /nfs/dbraw/zinc/52/06/09/174520609.db2.gz DQBYDMRTMRAIBG-NSHDSACASA-N 1 0 253.773 3.266 10 0 CGAERO [NH3+]C[C@H](Cc1ccc(F)cc1)Cc1cccc(F)c1 ZINC000041350716 174529951 /nfs/dbraw/zinc/52/99/51/174529951.db2.gz ZBVTXCYYPDWODX-CQSZACIVSA-N 1 0 261.315 3.325 10 0 CGAERO O=C(c1c[nH]c2ccc(Cl)cc21)C1CC[NH2+]CC1 ZINC000041355470 174533830 /nfs/dbraw/zinc/53/38/30/174533830.db2.gz BQNZJPAYNCAKPU-UHFFFAOYSA-N 1 0 262.740 3.004 10 0 CGAERO [NH3+]CCCc1csc(-c2c(F)cccc2Cl)n1 ZINC000041392631 174545445 /nfs/dbraw/zinc/54/54/45/174545445.db2.gz WQVWAOKUOFWLQM-UHFFFAOYSA-N 1 0 270.760 3.494 10 0 CGAERO C[NH2+][C@H]1CCC[C@H]1Cc1cc(Cl)ccc1OC ZINC000042398260 174709649 /nfs/dbraw/zinc/70/96/49/174709649.db2.gz RTHVVULKNQNFOD-GWCFXTLKSA-N 1 0 253.773 3.279 10 0 CGAERO CCCCC[C@@H](C)[NH2+][C@H](C)C(=O)NC(CC)CC ZINC000042570364 174799864 /nfs/dbraw/zinc/79/98/64/174799864.db2.gz XCOJJGCITAZGML-CHWSQXEVSA-N 1 0 256.434 3.238 10 0 CGAERO CCCCC[C@@H](C)[NH2+][C@@H](C)C(=O)NCCC(C)C ZINC000042570348 174800084 /nfs/dbraw/zinc/80/00/84/174800084.db2.gz XNVABPGDXPVTOQ-KGLIPLIRSA-N 1 0 256.434 3.096 10 0 CGAERO CC(C)[N@H+](CC1CC1)[C@@H](CN)[C@@H](C)c1ccccc1 ZINC000042580259 174805188 /nfs/dbraw/zinc/80/51/88/174805188.db2.gz MSQUMRJGARQQMF-YOEHRIQHSA-N 1 0 260.425 3.238 10 0 CGAERO CCCN(CC(F)(F)F)c1ccccc1[C@@H](C)[NH3+] ZINC000042769605 174870620 /nfs/dbraw/zinc/87/06/20/174870620.db2.gz MEEBZPMUXYTEKX-SNVBAGLBSA-N 1 0 260.303 3.485 10 0 CGAERO Cc1ccc(C2CC([NH2+]C[C@H]3CCCCO3)C2)cc1 ZINC000042815323 174885864 /nfs/dbraw/zinc/88/58/64/174885864.db2.gz NDHWTAGPOBCDGA-OFLPRAFFSA-N 1 0 259.393 3.400 10 0 CGAERO CC[C@@H]([NH3+])[C@H](OCCOC(C)C)c1ccc(F)cc1 ZINC000042916590 174916189 /nfs/dbraw/zinc/91/61/89/174916189.db2.gz TXDROLJYWFRZHB-HUUCEWRRSA-N 1 0 269.360 3.046 10 0 CGAERO CC[C@H]([NH3+])[C@H](Sc1cnn(C)c1)c1ccc(F)cc1 ZINC000042944173 174919491 /nfs/dbraw/zinc/91/94/91/174919491.db2.gz OZGOFUQKOPOLBK-UONOGXRCSA-N 1 0 279.384 3.130 10 0 CGAERO CC(C)OCCO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH3+] ZINC000042948793 174922927 /nfs/dbraw/zinc/92/29/27/174922927.db2.gz WCJCLCYPMYWGAG-FZMZJTMJSA-N 1 0 271.788 3.170 10 0 CGAERO CCOC(=O)CS[C@@H](c1ccc(Cl)cc1)[C@@H](C)[NH3+] ZINC000042951170 174923524 /nfs/dbraw/zinc/92/35/24/174923524.db2.gz SYRYKIAJYJAOGW-NOZJJQNGSA-N 1 0 287.812 3.025 10 0 CGAERO CC[C@H]([NH3+])[C@H](c1cccc(F)c1)n1cc(Cl)cn1 ZINC000042973225 174936824 /nfs/dbraw/zinc/93/68/24/174936824.db2.gz BYZQEVDNSLCTHY-STQMWFEESA-N 1 0 267.735 3.002 10 0 CGAERO COc1cccc([C@@H](SCC(C)C)[C@@H](C)[NH3+])c1 ZINC000043032418 174949233 /nfs/dbraw/zinc/94/92/33/174949233.db2.gz BCHLEUGXCHPFCB-RISCZKNCSA-N 1 0 253.411 3.473 10 0 CGAERO C[C@@H]([NH3+])[C@@H](OC[C@@H]1CCCCO1)c1ccccc1Cl ZINC000043087703 174963317 /nfs/dbraw/zinc/96/33/17/174963317.db2.gz AEMACDTVXJXTAC-TYNCELHUSA-N 1 0 283.799 3.314 10 0 CGAERO C[C@H]([NH3+])Cc1ccc(OC[C@H]2CCCCO2)c(Cl)c1 ZINC000043491553 175057742 /nfs/dbraw/zinc/05/77/42/175057742.db2.gz VZGQIMZBIMCJJK-WCQYABFASA-N 1 0 283.799 3.178 10 0 CGAERO CCc1ccc([C@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000044113790 175141074 /nfs/dbraw/zinc/14/10/74/175141074.db2.gz CWIQPGFVKZZRJB-JKIFEVAISA-N 1 0 261.409 3.260 10 0 CGAERO CC(C)Oc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000044117784 175142079 /nfs/dbraw/zinc/14/20/79/175142079.db2.gz RMAQWGWAEDLGCL-PBHICJAKSA-N 1 0 277.408 3.239 10 0 CGAERO COc1ccc([C@@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)c(OC)c1 ZINC000044121552 175142756 /nfs/dbraw/zinc/14/27/56/175142756.db2.gz SQUHNHLAWRWHOC-ZENOOKHLSA-N 1 0 293.407 3.000 10 0 CGAERO CC(C)(C)OC(=O)N1CCC([C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000044135636 175145277 /nfs/dbraw/zinc/14/52/77/175145277.db2.gz UYVAWDXQVILRFJ-UONOGXRCSA-N 1 0 282.428 3.151 10 0 CGAERO COCC[NH2+][C@@]1(c2nccs2)C[C@H](C)CC(C)(C)C1 ZINC000053289119 175546841 /nfs/dbraw/zinc/54/68/41/175546841.db2.gz JRTHCCQMRMAEGH-DOMZBBRYSA-N 1 0 282.453 3.421 10 0 CGAERO Cc1ccccc1-c1ncc([C@@H]2[NH2+]CCc3nc[nH]c32)s1 ZINC000065507468 175745415 /nfs/dbraw/zinc/74/54/15/175745415.db2.gz RFOMCAUKVAOMTL-HNNXBMFYSA-N 1 0 296.399 3.077 10 0 CGAERO CCn1nc(C)c([C@@H](C)[NH2+]Cc2scnc2C)c1C ZINC000071213063 176084950 /nfs/dbraw/zinc/08/49/50/176084950.db2.gz GLNLAFOIUVORRV-SNVBAGLBSA-N 1 0 278.425 3.136 10 0 CGAERO O[C@@H](C[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1)C1CC1 ZINC000071302025 176114587 /nfs/dbraw/zinc/11/45/87/176114587.db2.gz MNYYXAQPXCWBCC-ZACQAIPSSA-N 1 0 259.393 3.073 10 0 CGAERO CC(C)Cc1ccc([C@@H]2C[NH2+]C[C@H](C3CC3)O2)cc1 ZINC000071308676 176116158 /nfs/dbraw/zinc/11/61/58/176116158.db2.gz YVUVEUMFCSUZRO-DLBZAZTESA-N 1 0 259.393 3.325 10 0 CGAERO Clc1ccc([C@H]2C[NH2+]C[C@H](C3CC3)O2)cc1Cl ZINC000071308449 176116410 /nfs/dbraw/zinc/11/64/10/176116410.db2.gz CJQHYCPONFHRCC-CHWSQXEVSA-N 1 0 272.175 3.433 10 0 CGAERO CC(C)Cc1ccc([C@H](C)N(C)[C@@H]2CC[NH2+]C2)cc1 ZINC000071309311 176116862 /nfs/dbraw/zinc/11/68/62/176116862.db2.gz ALYILUQQTIGCLE-WMLDXEAASA-N 1 0 260.425 3.240 10 0 CGAERO CC[C@H]([NH3+])c1c[nH]c2cc(Br)ccc21 ZINC000071488030 176189692 /nfs/dbraw/zinc/18/96/92/176189692.db2.gz KYEOSJZCQKCBFG-JTQLQIEISA-N 1 0 253.143 3.340 10 0 CGAERO COc1cc(C)c([C@H](C)OCC[NH3+])cc1C(C)C ZINC000071573566 176200284 /nfs/dbraw/zinc/20/02/84/176200284.db2.gz YYOWRMUKMPVENW-LBPRGKRZSA-N 1 0 251.370 3.163 10 0 CGAERO [NH3+][C@H]1C[C@@H]1c1cc(F)cc(F)c1OCc1ccccc1 ZINC000072171760 176333042 /nfs/dbraw/zinc/33/30/42/176333042.db2.gz FEABGXGNJUOXAX-DOMZBBRYSA-N 1 0 275.298 3.358 10 0 CGAERO [NH3+][C@@H]1C[C@@H]1c1cc(F)cc(F)c1OCc1ccccc1 ZINC000072171762 176333274 /nfs/dbraw/zinc/33/32/74/176333274.db2.gz FEABGXGNJUOXAX-IUODEOHRSA-N 1 0 275.298 3.358 10 0 CGAERO C[NH2+]CC(C)(C)c1cc(Br)ccc1F ZINC000076322981 176987302 /nfs/dbraw/zinc/98/73/02/176987302.db2.gz WACBKZGIHDFFIM-UHFFFAOYSA-N 1 0 260.150 3.085 10 0 CGAERO CCCCN(C)[C@H](C[NH3+])c1nc2ccccc2s1 ZINC000076364152 177003323 /nfs/dbraw/zinc/00/33/23/177003323.db2.gz LAPBZGOAEXBMMP-GFCCVEGCSA-N 1 0 263.410 3.028 10 0 CGAERO C[NH2+]CCCCC(=O)N(C)c1cccc(Cl)c1C ZINC000076401306 177017130 /nfs/dbraw/zinc/01/71/30/177017130.db2.gz HSLWDGCSHGOJIE-UHFFFAOYSA-N 1 0 268.788 3.001 10 0 CGAERO Cc1ccc(F)cc1C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000129174743 287325926 /nfs/dbraw/zinc/32/59/26/287325926.db2.gz OJAWLYACQSQNLZ-WBVHZDCISA-N 1 0 277.383 3.261 10 0 CGAERO Cc1ccc(CC[C@@H](CC[NH3+])c2ccccn2)cc1 ZINC000076658478 177047517 /nfs/dbraw/zinc/04/75/17/177047517.db2.gz DSXIPHICVZVEQH-INIZCTEOSA-N 1 0 254.377 3.455 10 0 CGAERO Cc1cc(C)cc(OC[C@@H](CC[NH3+])c2ccc[nH]2)c1 ZINC000076667572 177051442 /nfs/dbraw/zinc/05/14/42/177051442.db2.gz KILSSHXBONLNDV-CQSZACIVSA-N 1 0 258.365 3.143 10 0 CGAERO Cc1ccc(C)c(NC(=O)C[C@H](C[NH3+])CC(C)C)c1 ZINC000076675694 177055973 /nfs/dbraw/zinc/05/59/73/177055973.db2.gz SKFRGUIHISTLFY-CQSZACIVSA-N 1 0 262.397 3.253 10 0 CGAERO Cc1cccc(C)c1NC(=O)[C@@H](CC[NH3+])CC(C)C ZINC000076675536 177056049 /nfs/dbraw/zinc/05/60/49/177056049.db2.gz RNSJRXLCSVFLEC-AWEZNQCLSA-N 1 0 262.397 3.253 10 0 CGAERO CC[NH2+]CCc1csc(-c2cccc(F)c2)n1 ZINC000076783276 177091378 /nfs/dbraw/zinc/09/13/78/177091378.db2.gz DAYAQTKHJJFGGI-UHFFFAOYSA-N 1 0 250.342 3.101 10 0 CGAERO CC[C@H]([NH3+])c1nc2cc(C(F)(F)F)ccc2n1C ZINC000077002415 177141045 /nfs/dbraw/zinc/14/10/45/177141045.db2.gz AFBNRCMSXYWFOA-QMMMGPOBSA-N 1 0 257.259 3.002 10 0 CGAERO [NH3+][C@H]1CCC[C@@H](c2ccccc2Br)C1 ZINC000077607632 177284323 /nfs/dbraw/zinc/28/43/23/177284323.db2.gz HBSIEOGMXXCNJR-ZJUUUORDSA-N 1 0 254.171 3.434 10 0 CGAERO CC[C@H](Cc1ccccc1)[N@H+](C)C[C@H](O)COC(C)(C)C ZINC000131554312 287383571 /nfs/dbraw/zinc/38/35/71/287383571.db2.gz QKXDBLKJQPLHBT-SJORKVTESA-N 1 0 293.451 3.116 10 0 CGAERO C[C@@H]1CC(C)(C)C[C@@](C[NH3+])(C(=O)OC(C)(C)C)C1 ZINC000725244053 544112363 /nfs/dbraw/zinc/11/23/63/544112363.db2.gz DDUYPOUSKLLLIT-ABAIWWIYSA-N 1 0 255.402 3.119 10 0 CGAERO C[NH2+][C@@H](C)c1c(Br)ccc(F)c1F ZINC000725261983 544114169 /nfs/dbraw/zinc/11/41/69/544114169.db2.gz PNGSTOJFBVTFTN-YFKPBYRVSA-N 1 0 250.086 3.008 10 0 CGAERO CC[C@H](C)C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]1 ZINC000725261912 544114175 /nfs/dbraw/zinc/11/41/75/544114175.db2.gz NEVZMKJXWWYOGN-CRWXNKLISA-N 1 0 284.444 3.456 10 0 CGAERO FC(F)(F)c1cc(C[NH2+]C2CC2)cc(Cl)n1 ZINC000725269588 544114815 /nfs/dbraw/zinc/11/48/15/544114815.db2.gz AUWBZFRYUGKYLY-UHFFFAOYSA-N 1 0 250.651 3.006 10 0 CGAERO CC1(C)CC[C@@H]([NH2+]C2CC(CO)C2)c2ccccc21 ZINC000658352375 418947450 /nfs/dbraw/zinc/94/74/50/418947450.db2.gz FTOCDYZLJPNDOT-SEEARECTSA-N 1 0 259.393 3.160 10 0 CGAERO C[C@H](CC(C)(C)c1ccccc1)[NH2+]C1CC(CO)C1 ZINC000658355941 418948878 /nfs/dbraw/zinc/94/88/78/418948878.db2.gz KUQMUNZXMJRBNV-VQCLRJIVSA-N 1 0 261.409 3.103 10 0 CGAERO Cc1c[nH]c(CN[C@@H](C)c2cccc(Br)c2)n1 ZINC000657299637 419245528 /nfs/dbraw/zinc/24/55/28/419245528.db2.gz XHUQKBFXLPNMGO-JTQLQIEISA-N 1 0 294.196 3.331 10 0 CGAERO FC(F)(F)[C@H]1CCC[C@H]([NH2+]Cc2cnc3n2CCC3)C1 ZINC000657303096 419246236 /nfs/dbraw/zinc/24/62/36/419246236.db2.gz ZYNCIYKGRKSFFX-QWRGUYRKSA-N 1 0 287.329 3.040 10 0 CGAERO O[C@@H]1CCC[C@H](C[NH+]2CCC(C3CCC3)CC2)C1 ZINC000661373725 419254369 /nfs/dbraw/zinc/25/43/69/419254369.db2.gz FMZBQKCULPURFB-XJKSGUPXSA-N 1 0 251.414 3.050 10 0 CGAERO CCC1(CC)CCC[N@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000661672875 419284078 /nfs/dbraw/zinc/28/40/78/419284078.db2.gz QKKQVRLIJUZMJJ-GJZGRUSLSA-N 1 0 253.430 3.440 10 0 CGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)C12CCOCC2 ZINC000186336191 287557798 /nfs/dbraw/zinc/55/77/98/287557798.db2.gz NYVQXNUSKNURIF-ZOFXXKQRSA-N 1 0 295.467 3.375 10 0 CGAERO CCC[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1ccc(Cl)cc1 ZINC000658246045 419697843 /nfs/dbraw/zinc/69/78/43/419697843.db2.gz 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MYPVGWJIARPXQR-TZMCWYRMSA-N 1 0 260.381 3.118 10 0 CGAERO CCN1CCC[C@H]([NH2+][C@H]2C[C@@H](C)c3ccccc32)C1 ZINC000311614007 276179284 /nfs/dbraw/zinc/17/92/84/276179284.db2.gz WCLVXIUBQYYXSV-KEYYUXOJSA-N 1 0 258.409 3.309 10 0 CGAERO CC1CCC(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)CC1 ZINC000311425188 276188983 /nfs/dbraw/zinc/18/89/83/276188983.db2.gz BLNCMJPYWHGUJT-GQGLESIBSA-N 1 0 265.441 3.440 10 0 CGAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2COc3ccccc32)C12CCC2 ZINC000246809355 276355354 /nfs/dbraw/zinc/35/53/54/276355354.db2.gz ISJAMFDCRWMKCT-CWRNSKLLSA-N 1 0 273.376 3.057 10 0 CGAERO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2)C12CCOCC2 ZINC000186204678 276362691 /nfs/dbraw/zinc/36/26/91/276362691.db2.gz JUPGOYKFHXXXLN-SJORKVTESA-N 1 0 289.419 3.059 10 0 CGAERO CC(C)(C)SCC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000376763289 277223060 /nfs/dbraw/zinc/22/30/60/277223060.db2.gz DJNUQSSNSNPUPA-UKRRQHHQSA-N 1 0 271.470 3.145 10 0 CGAERO CC(C)(C)[C@H](O)C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000336791243 277253714 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CC(C)CC[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400327556 278768948 /nfs/dbraw/zinc/76/89/48/278768948.db2.gz BXKDXDYGJZCTHN-KGLIPLIRSA-N 1 0 284.444 3.268 10 0 CGAERO CCC[C@H](C(=O)N1CC[C@H]([NH3+])C(C)(C)C1)c1ccccc1 ZINC000261957574 278920401 /nfs/dbraw/zinc/92/04/01/278920401.db2.gz KQNMJWBEYHEYIA-HOTGVXAUSA-N 1 0 288.435 3.156 10 0 CGAERO CC(C)C[C@@H]1CCCCC[N@@H+]1Cc1nnnn1C(C)C ZINC000120750794 279017251 /nfs/dbraw/zinc/01/72/51/279017251.db2.gz NJXVMGZTUIOKMB-AWEZNQCLSA-N 1 0 279.432 3.045 10 0 CGAERO CC[NH+](CC)[C@H](C(=O)NC1CCCC1)c1ccc(C)cc1 ZINC000058012576 279153628 /nfs/dbraw/zinc/15/36/28/279153628.db2.gz VADXDAYQWFIIBH-KRWDZBQOSA-N 1 0 288.435 3.437 10 0 CGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(C)c(C)s1 ZINC000175027342 281190699 /nfs/dbraw/zinc/19/06/99/281190699.db2.gz ILSDSHXEXFANDG-UONOGXRCSA-N 1 0 292.448 3.064 10 0 CGAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1nccs1 ZINC000112516098 281382550 /nfs/dbraw/zinc/38/25/50/281382550.db2.gz GJGMSPJXABQNKJ-RYUDHWBXSA-N 1 0 289.404 3.129 10 0 CGAERO O=C(CC1CCCCCC1)Nc1nc2c(s1)C[NH2+]CC2 ZINC000162102051 295467664 /nfs/dbraw/zinc/46/76/64/295467664.db2.gz YOMDFBAVMYQJIL-UHFFFAOYSA-N 1 0 293.436 3.088 10 0 CGAERO C[S@](=O)C1(C[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000380193741 327704929 /nfs/dbraw/zinc/70/49/29/327704929.db2.gz BHUNFQBJHQUECP-JCGVRSQUSA-N 1 0 271.470 3.092 10 0 CGAERO CC[C@H]1C[NH2+]C[C@@H]1c1ccc(Br)cc1 ZINC000536954715 330382962 /nfs/dbraw/zinc/38/29/62/330382962.db2.gz SNXMDDKKAUHRCV-CABZTGNLSA-N 1 0 254.171 3.162 10 0 CGAERO Cc1ccccc1[C@H]([NH2+]C[C@@H](O)COC(C)(C)C)C(C)C ZINC000183232811 335881274 /nfs/dbraw/zinc/88/12/74/335881274.db2.gz AUOMWVPYRZQLPV-NVXWUHKLSA-N 1 0 293.451 3.458 10 0 CGAERO O[C@]12CCCC[C@H]1C[N@H+](C[C@H]1CCCCC1(F)F)CC2 ZINC000381594868 336069226 /nfs/dbraw/zinc/06/92/26/336069226.db2.gz FFCHWDIHJSLAMY-ZNMIVQPWSA-N 1 0 287.394 3.439 10 0 CGAERO [NH3+]C[C@H]1CC[C@@H](Nc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000382458936 336091114 /nfs/dbraw/zinc/09/11/14/336091114.db2.gz SWHDJPXUCQHDHM-IONNQARKSA-N 1 0 293.720 3.293 10 0 CGAERO [NH3+][C@H]1CCC[C@H](Nc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000382496586 336091832 /nfs/dbraw/zinc/09/18/32/336091832.db2.gz JNDCXGLDZCOKHW-IUCAKERBSA-N 1 0 293.720 3.436 10 0 CGAERO COCc1ccc(C[NH2+]C2C3CC4CC(C3)CC2C4)o1 ZINC000382794313 336096923 /nfs/dbraw/zinc/09/69/23/336096923.db2.gz YCBJOHYOUNGYBG-UHFFFAOYSA-N 1 0 275.392 3.340 10 0 CGAERO Brc1ccsc1COC[C@H]1CCCC[NH2+]1 ZINC000051816119 518228538 /nfs/dbraw/zinc/22/85/38/518228538.db2.gz ABSJMHSOBDCWQF-SECBINFHSA-N 1 0 290.226 3.169 10 0 CGAERO CC(C)[C@@H]1C[N@H+](C2CCCCC2)[C@H](C(C)C)CN1 ZINC000062624636 519804514 /nfs/dbraw/zinc/80/45/14/519804514.db2.gz FAHRBYHAKGCARK-HOTGVXAUSA-N 1 0 252.446 3.274 10 0 CGAERO CC(C)[C@H](C[NH+](C)C)Nc1nccc2sccc21 ZINC000049218648 519814966 /nfs/dbraw/zinc/81/49/66/519814966.db2.gz KMOLBODRAKUNMY-LBPRGKRZSA-N 1 0 263.410 3.294 10 0 CGAERO CCC[NH2+]C[C@H](C(C)C)N(C)Cc1ccc(C)cc1 ZINC000052424509 519928682 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CC[N@@H+]1C[C@H](c2ccccc2)NC[C@@H]1c1ccccc1 ZINC000062662853 521730005 /nfs/dbraw/zinc/73/00/05/521730005.db2.gz UGQVGGYNXLZOIW-QZTJIDSGSA-N 1 0 266.388 3.394 10 0 CGAERO CC[C@@H](C)CN(C)c1cccc(Cl)c1C(N)=[NH2+] ZINC000052904972 521975184 /nfs/dbraw/zinc/97/51/84/521975184.db2.gz AXLHJYGZCRJFDM-SECBINFHSA-N 1 0 253.777 3.106 10 0 CGAERO C[NH2+]Cc1cc(Cl)cc(Cl)c1OCc1ncccn1 ZINC000054458482 522110854 /nfs/dbraw/zinc/11/08/54/522110854.db2.gz ZYPMLXKVIVJUQR-UHFFFAOYSA-N 1 0 298.173 3.082 10 0 CGAERO C[NH2+]Cc1cccc(OC)c1OCCC(C)(C)C ZINC000049254150 522130769 /nfs/dbraw/zinc/13/07/69/522130769.db2.gz WMFXNBMSGFAHMH-UHFFFAOYSA-N 1 0 251.370 3.230 10 0 CGAERO C[NH2+][C@@H]1CCCC[C@@H]1CN(C)c1ccc(F)cc1 ZINC000053858978 522377786 /nfs/dbraw/zinc/37/77/86/522377786.db2.gz PFKQDGQXPGJSKO-IUODEOHRSA-N 1 0 250.361 3.040 10 0 CGAERO CCc1nc(N(C)Cc2ccc(Cl)cc2)sc1C[NH3+] ZINC000055002033 522379034 /nfs/dbraw/zinc/37/90/34/522379034.db2.gz IKECUVWYORFTOM-UHFFFAOYSA-N 1 0 295.839 3.454 10 0 CGAERO CCc1nc(N2[C@@H]3CCC[C@H]2CC([NH2+]C)C3)sc1C ZINC000054602467 522390611 /nfs/dbraw/zinc/39/06/11/522390611.db2.gz RAVGATYPGJFVKX-YHWZYXNKSA-N 1 0 279.453 3.123 10 0 CGAERO CC[C@H](NC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1)c1cccs1 ZINC000156139925 522396709 /nfs/dbraw/zinc/39/67/09/522396709.db2.gz HLIUDPITYAICGR-MJBXVCDLSA-N 1 0 294.464 3.341 10 0 CGAERO C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1OC1CCC1 ZINC000050520067 522398137 /nfs/dbraw/zinc/39/81/37/522398137.db2.gz JOYCSGJDSXPBBH-OIISXLGYSA-N 1 0 259.393 3.480 10 0 CGAERO C[NH2+][C@H](C)c1ccc(OC[C@@H]2CCCO2)c(Cl)c1 ZINC000061698834 522448464 /nfs/dbraw/zinc/44/84/64/522448464.db2.gz QMHHZZBHYLHUMK-PWSUYJOCSA-N 1 0 269.772 3.178 10 0 CGAERO C[NH2+][C@H](Cc1ccc(C)c(C)c1)CC1CCOCC1 ZINC000061681668 522472730 /nfs/dbraw/zinc/47/27/30/522472730.db2.gz SUJXMMAGOHQUJF-KRWDZBQOSA-N 1 0 261.409 3.251 10 0 CGAERO C[N@H+](CCCCC(N)=S)Cc1ccccc1Cl ZINC000049582752 522728103 /nfs/dbraw/zinc/72/81/03/522728103.db2.gz GFHMDSVNAYSTSI-UHFFFAOYSA-N 1 0 270.829 3.228 10 0 CGAERO CC[C@H]1CCCN1[C@@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000050546154 523112648 /nfs/dbraw/zinc/11/26/48/523112648.db2.gz BEWHXILTWGMQPM-ZFWWWQNUSA-N 1 0 250.361 3.008 10 0 CGAERO CN(c1ccc(C[NH3+])cc1)c1ccc(Br)cn1 ZINC000061950865 523636932 /nfs/dbraw/zinc/63/69/32/523636932.db2.gz UQMUVSJBCAPKIF-UHFFFAOYSA-N 1 0 292.180 3.071 10 0 CGAERO CCc1c(C)nn([C@@H](C)CC[NH2+]CC(C)C)c1C ZINC000052592309 523716172 /nfs/dbraw/zinc/71/61/72/523716172.db2.gz PHHJAXVHEFKUFS-LBPRGKRZSA-N 1 0 251.418 3.259 10 0 CGAERO CC[C@@]1(c2cccc(Cl)c2)C[C@H]1C[NH2+]CCOC ZINC000054599088 523746295 /nfs/dbraw/zinc/74/62/95/523746295.db2.gz MVQUYMQZHHCMNG-ZFWWWQNUSA-N 1 0 267.800 3.244 10 0 CGAERO COCC[NH2+]CC(C)(C)Cc1ccc(Cl)s1 ZINC000054638662 523934766 /nfs/dbraw/zinc/93/47/66/523934766.db2.gz NAFZBIKESQBPEG-UHFFFAOYSA-N 1 0 261.818 3.206 10 0 CGAERO COc1ccccc1C[C@H](C[NH3+])Cc1cccs1 ZINC000052948758 524509939 /nfs/dbraw/zinc/50/99/39/524509939.db2.gz MHCVMSXVMALOOW-LBPRGKRZSA-N 1 0 261.390 3.117 10 0 CGAERO COc1ccccc1C[C@H](C[NH3+])Cc1ccsc1 ZINC000052948803 524510994 /nfs/dbraw/zinc/51/09/94/524510994.db2.gz CBHSNRMWDOWWHG-CYBMUJFWSA-N 1 0 261.390 3.117 10 0 CGAERO Cc1cc(CC[NH3+])nc(Cc2ccc(Cl)c(Cl)c2)n1 ZINC000054833844 524637636 /nfs/dbraw/zinc/63/76/36/524637636.db2.gz HWLNSUKJZVMXCJ-UHFFFAOYSA-N 1 0 296.201 3.184 10 0 CGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(C(F)F)cc1 ZINC000183946372 524689049 /nfs/dbraw/zinc/68/90/49/524689049.db2.gz FHXRFAQEGRDWRJ-SWLSCSKDSA-N 1 0 280.362 3.293 10 0 CGAERO C[C@@H]([NH3+])[C@@H](OC1CCC1)c1ccc(Br)s1 ZINC000050519408 525004269 /nfs/dbraw/zinc/00/42/69/525004269.db2.gz LVRWCVQQBOQIHC-RDDDGLTNSA-N 1 0 290.226 3.468 10 0 CGAERO C[C@]([NH3+])(c1cncc(F)c1)c1ccccc1Br ZINC000049576008 525150428 /nfs/dbraw/zinc/15/04/28/525150428.db2.gz WEGVEJIDARSHQO-ZDUSSCGKSA-N 1 0 295.155 3.205 10 0 CGAERO Cc1cc([C@@H](CN)[N@@H+](C)[C@@H](C)C(C)C)ccc1F ZINC000050546083 525480567 /nfs/dbraw/zinc/48/05/67/525480567.db2.gz KOYQJKRNSYDISB-SWLSCSKDSA-N 1 0 252.377 3.110 10 0 CGAERO C[C@H]([NH2+][C@H]1CCCCC[C@@H]1O)c1cccc(F)c1 ZINC000049529892 525605477 /nfs/dbraw/zinc/60/54/77/525605477.db2.gz OKDGDPVLUBROBM-CQDKDKBSSA-N 1 0 251.345 3.170 10 0 CGAERO C[C@@H]1[C@@H](C)CCCN1[C@@H](C[NH3+])c1ccc(F)cc1F ZINC000050563907 525641663 /nfs/dbraw/zinc/64/16/63/525641663.db2.gz RARKXKFDKNINPG-RWSFTLGLSA-N 1 0 268.351 3.085 10 0 CGAERO Cc1ccc([C@@H](C)[NH2+][C@H](CN(C)C)C(C)C)s1 ZINC000049196827 525747326 /nfs/dbraw/zinc/74/73/26/525747326.db2.gz HNELBFNPYFVNHM-CHWSQXEVSA-N 1 0 254.443 3.293 10 0 CGAERO Cc1ccsc1[C@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000085973789 525887525 /nfs/dbraw/zinc/88/75/25/525887525.db2.gz KOXURLBJBAFRKI-AVGNSLFASA-N 1 0 253.411 3.258 10 0 CGAERO Cc1nn(CCC(C)(C)C)c(C)c1C[NH2+]C(C)C ZINC000049256084 526279383 /nfs/dbraw/zinc/27/93/83/526279383.db2.gz ARHSKEYGQFSCGW-UHFFFAOYSA-N 1 0 251.418 3.434 10 0 CGAERO Cc1nn([C@H](C[NH3+])c2ccc(Cl)s2)c(C)c1Cl ZINC000050586022 526306363 /nfs/dbraw/zinc/30/63/63/526306363.db2.gz VCFFZKCBILCRKO-MRVPVSSYSA-N 1 0 290.219 3.416 10 0 CGAERO Cc1nn([C@H](c2ccccc2)[C@H](C)[NH3+])c(C)c1Cl ZINC000050586046 526306576 /nfs/dbraw/zinc/30/65/76/526306576.db2.gz LTXLWDIBWLTBFY-XPTSAGLGSA-N 1 0 263.772 3.090 10 0 CGAERO c1ccc(OCCCOCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000061816048 526485507 /nfs/dbraw/zinc/48/55/07/526485507.db2.gz SOMLNNNVGVSVLI-HNNXBMFYSA-N 1 0 263.381 3.004 10 0 CGAERO c1csc(C2=CC[N@H+](Cc3ccncc3)CC2)c1 ZINC000156129060 526578018 /nfs/dbraw/zinc/57/80/18/526578018.db2.gz YCKIDDGYGXHBMY-UHFFFAOYSA-N 1 0 256.374 3.432 10 0 CGAERO Cc1nc(-c2cccc(Br)c2)sc1C[NH3+] ZINC000052329952 526580907 /nfs/dbraw/zinc/58/09/07/526580907.db2.gz GPPCYSIVSZCYMV-UHFFFAOYSA-N 1 0 283.194 3.340 10 0 CGAERO Cc1nc(Cc2ccc(Cl)cc2)ncc1[C@H](C)[NH3+] ZINC000054962595 526927381 /nfs/dbraw/zinc/92/73/81/526927381.db2.gz WRTQYTYLNXJIFF-VIFPVBQESA-N 1 0 261.756 3.049 10 0 CGAERO Cc1nc(N2CCC[C@H](C)[C@@H]2C)sc1[C@@H](C)[NH3+] ZINC000054896194 526965480 /nfs/dbraw/zinc/96/54/80/526965480.db2.gz 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C[C@@H](C[NH2+]C[C@H]1CC=CCC1)N(C)C(=O)OC(C)(C)C ZINC000309876576 619015328 /nfs/dbraw/zinc/01/53/28/619015328.db2.gz WLFLWZBXUIJSQO-KBPBESRZSA-N 1 0 282.428 3.188 10 0 CGAERO C[C@@]1(c2nc(C(C3CCC3)C3CCC3)no2)CC[NH2+]C1 ZINC000312874368 619154308 /nfs/dbraw/zinc/15/43/08/619154308.db2.gz TZMDDLYBZWQCHC-MRXNPFEDSA-N 1 0 275.396 3.004 10 0 CGAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1ccc2ccccc2c1 ZINC000054292244 620206937 /nfs/dbraw/zinc/20/69/37/620206937.db2.gz TVGKIFPXZPIMMH-CYBMUJFWSA-N 1 0 268.360 3.168 10 0 CGAERO CC(C)C[N@H+](C)C[C@@H](O)c1ccc2ccccc2c1 ZINC000044129612 622534570 /nfs/dbraw/zinc/53/45/70/622534570.db2.gz XMXUXUMYTNZEAE-QGZVFWFLSA-N 1 0 257.377 3.461 10 0 CGAERO CCCCC[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)C(C)C ZINC000151427720 622780448 /nfs/dbraw/zinc/78/04/48/622780448.db2.gz VYCOPSSCXOFQPE-HUUCEWRRSA-N 1 0 268.445 3.001 10 0 CGAERO COc1ccc(C[NH2+]C2CC(OC)C2)c2ccccc12 ZINC000230689778 623266162 /nfs/dbraw/zinc/26/61/62/623266162.db2.gz MHXFGXGWXXJUES-UHFFFAOYSA-N 1 0 271.360 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APMXTGKBZHEOEE-ZDUSSCGKSA-N 1 0 285.391 3.253 10 0 CGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc3ccccc3c2)C1 ZINC000194314067 640525773 /nfs/dbraw/zinc/52/57/73/640525773.db2.gz UVRKFHMAPFWEPI-QGZVFWFLSA-N 1 0 297.402 3.446 10 0 CGAERO CCC1CCC(c2noc([C@@]3(C)CCC[NH2+]3)n2)CC1 ZINC000087933606 640613648 /nfs/dbraw/zinc/61/36/48/640613648.db2.gz IBBKPOUTOSSWFQ-KOHJWAIASA-N 1 0 263.385 3.352 10 0 CGAERO Cc1ccccc1-c1noc([C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000089383398 640642770 /nfs/dbraw/zinc/64/27/70/640642770.db2.gz WFILJTOWPZMNDO-OCCSQVGLSA-N 1 0 271.364 3.278 10 0 CGAERO [NH3+]C[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000089386418 640643319 /nfs/dbraw/zinc/64/33/19/640643319.db2.gz FVPUVVIULZVEFG-MFKMUULPSA-N 1 0 266.772 3.044 10 0 CGAERO O[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)C1 ZINC000252423858 640844207 /nfs/dbraw/zinc/84/42/07/640844207.db2.gz CBCYJBGOGPNDEH-LYYZXLFJSA-N 1 0 251.414 3.238 10 0 CGAERO CSCc1nc(C2CC2)c(C[NH2+]C(C)C)s1 ZINC000082436060 178013438 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/nfs/dbraw/zinc/13/77/37/185137737.db2.gz LXQZJYKGCXVBEO-ZETCQYMHSA-N 1 0 267.126 3.124 10 0 CGAERO [NH3+][C@H](Cc1cncs1)c1ccc(Br)cc1 ZINC000096976906 185144849 /nfs/dbraw/zinc/14/48/49/185144849.db2.gz RTASWLJHTPXCEX-LLVKDONJSA-N 1 0 283.194 3.148 10 0 CGAERO Cc1ccc([C@H]2[C@H]([NH3+])CCN2C(=O)OC(C)(C)C)cc1 ZINC000096981176 185145835 /nfs/dbraw/zinc/14/58/35/185145835.db2.gz IIEMKESMUJLTCI-KGLIPLIRSA-N 1 0 276.380 3.004 10 0 CGAERO CCC(CC)[N@H+](CC(C)C)C[C@H](O)COC(C)(C)C ZINC000177064798 282178016 /nfs/dbraw/zinc/17/80/16/282178016.db2.gz WCFGMXUFUMCRBU-HNNXBMFYSA-N 1 0 273.461 3.309 10 0 CGAERO FC(F)(F)c1cc(C[NH2+]CC[C@@H]2CCCO2)cs1 ZINC000623353170 349786209 /nfs/dbraw/zinc/78/62/09/349786209.db2.gz CCZJBTWDUMYEKK-JTQLQIEISA-N 1 0 279.327 3.426 10 0 CGAERO O[C@@H]1CCC[C@H]([NH2+]Cc2csc(C(F)(F)F)c2)C1 ZINC000623374051 349793265 /nfs/dbraw/zinc/79/32/65/349793265.db2.gz UWMLDUYFQXEFIF-VHSXEESVSA-N 1 0 279.327 3.160 10 0 CGAERO CCc1nc(C)c(C[N@H+](C[C@H]2CCCO2)C2CCCC2)o1 ZINC000428242065 529721875 /nfs/dbraw/zinc/72/18/75/529721875.db2.gz FCGMIPJUQFZLRT-OAHLLOKOSA-N 1 0 292.423 3.469 10 0 CGAERO CC[C@@H]1C[NH2+][C@@H](C)CN1Cc1c(F)cccc1Cl ZINC000083518121 178552062 /nfs/dbraw/zinc/55/20/62/178552062.db2.gz YWRTZSZJEUYSQN-WDEREUQCSA-N 1 0 270.779 3.051 10 0 CGAERO Cc1csc([C@@H](C)N[C@@H](C[NH+](C)C)c2ccccc2)n1 ZINC000623855320 349897314 /nfs/dbraw/zinc/89/73/14/349897314.db2.gz WPJRQHGSNHEULG-HIFRSBDPSA-N 1 0 289.448 3.405 10 0 CGAERO Cc1ccc([C@@](O)(c2ccccc2)[C@@H](C)C[NH+](C)C)cc1 ZINC000003642281 344858850 /nfs/dbraw/zinc/85/88/50/344858850.db2.gz KOSOOUWMXGSCPH-LPHOPBHVSA-N 1 0 283.415 3.429 10 0 CGAERO c1ccc2c(c1)[nH+]c1c(c2N2CCOCC2)CCCCC1 ZINC000005934974 344863632 /nfs/dbraw/zinc/86/36/32/344863632.db2.gz BYLRUJWQQHVPTM-UHFFFAOYSA-N 1 0 282.387 3.340 10 0 CGAERO CN(C)c1cccc(OCC2CC[NH+](CC3CC3)CC2)c1 ZINC000013730066 344880533 /nfs/dbraw/zinc/88/05/33/344880533.db2.gz QGAPHPYAEAZBIR-UHFFFAOYSA-N 1 0 288.435 3.253 10 0 CGAERO c1ccc2cc(NCCC[NH+]3CCCC3)ncc2c1 ZINC000032229111 344930477 /nfs/dbraw/zinc/93/04/77/344930477.db2.gz ZSFJJJXKASHDKE-UHFFFAOYSA-N 1 0 255.365 3.133 10 0 CGAERO C[C@@H]([NH2+]Cc1cn[nH]c1)C12CC3CC(CC(C3)C1)C2 ZINC000038005875 344954251 /nfs/dbraw/zinc/95/42/51/344954251.db2.gz VVCMHRGPCKTTCR-UWJCENJNSA-N 1 0 259.397 3.104 10 0 CGAERO [NH3+]C[C@H]1Cc2cc(F)cc(-c3c(F)cccc3F)c2O1 ZINC000038332031 344955782 /nfs/dbraw/zinc/95/57/82/344955782.db2.gz QDBOBQJSOYBTDJ-SNVBAGLBSA-N 1 0 279.261 3.033 10 0 CGAERO COc1ccc2c(c1)C1(CC[NH2+]CC1)O[C@H]2c1ccccc1 ZINC000039206757 344958949 /nfs/dbraw/zinc/95/89/49/344958949.db2.gz JDOMLWIHDNTBAF-SFHVURJKSA-N 1 0 295.382 3.394 10 0 CGAERO C[C@@H]([NH3+])c1ccc(Br)cc1Br ZINC000041640568 344972504 /nfs/dbraw/zinc/97/25/04/344972504.db2.gz JQULRPNELBTLIO-RXMQYKEDSA-N 1 0 278.975 3.231 10 0 CGAERO O=C(C[NH2+]CCc1ccccc1)c1ccc(Cl)cc1 ZINC000041612113 344972605 /nfs/dbraw/zinc/97/26/05/344972605.db2.gz OABXJSVPIGZMBI-UHFFFAOYSA-N 1 0 273.763 3.355 10 0 CGAERO C[NH2+]C[C@H]1Cc2cccc(-c3cccc(C)c3C)c2O1 ZINC000034776572 344940685 /nfs/dbraw/zinc/94/06/85/344940685.db2.gz YQTYOPAMWRCXKL-OAHLLOKOSA-N 1 0 267.372 3.493 10 0 CGAERO COc1cc(C[NH3+])cc(Cl)c1OC1CCCC1 ZINC000034957151 344941148 /nfs/dbraw/zinc/94/11/48/344941148.db2.gz MSVXGZMYLWHMPE-UHFFFAOYSA-N 1 0 255.745 3.129 10 0 CGAERO [NH3+][C@H](c1ccc2c(c1)CCC2)[C@@H]1Cc2ccccc2O1 ZINC000034939642 344941429 /nfs/dbraw/zinc/94/14/29/344941429.db2.gz ZBBMIQVOCQBCGH-ZWKOTPCHSA-N 1 0 265.356 3.179 10 0 CGAERO [NH3+]Cc1ccc(-c2ccccc2I)o1 ZINC000036929585 344945479 /nfs/dbraw/zinc/94/54/79/344945479.db2.gz PQZVIVRCIUOVLF-UHFFFAOYSA-N 1 0 299.111 3.010 10 0 CGAERO COc1ccc(C[C@@H](C)[NH2+][C@H](CC(C)C)CN(C)C)cc1 ZINC000037167304 344947936 /nfs/dbraw/zinc/94/79/36/344947936.db2.gz NGKZABHXXJNEPD-NVXWUHKLSA-N 1 0 292.467 3.192 10 0 CGAERO CC[C@@](C)([NH3+])Cc1ccc(Br)cc1F ZINC000053758168 345124925 /nfs/dbraw/zinc/12/49/25/345124925.db2.gz AFFDPSRSWGCXFD-LLVKDONJSA-N 1 0 260.150 3.258 10 0 CGAERO C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054307858 345132373 /nfs/dbraw/zinc/13/23/73/345132373.db2.gz CSRMYFLZQRQKKU-OLZOCXBDSA-N 1 0 294.826 3.249 10 0 CGAERO [NH3+][C@H](Cc1ccc(Br)s1)c1ccco1 ZINC000054455790 345135429 /nfs/dbraw/zinc/13/54/29/345135429.db2.gz BOUMVTHGXWGWKW-MRVPVSSYSA-N 1 0 272.167 3.346 10 0 CGAERO CC[C@]1(c2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000054587593 345136374 /nfs/dbraw/zinc/13/63/74/345136374.db2.gz JYRNITKJHLOJOO-CMPLNLGQSA-N 1 0 254.171 3.076 10 0 CGAERO CC(C)(C[NH3+])Cc1ccc(Br)cc1F ZINC000054634450 345136995 /nfs/dbraw/zinc/13/69/95/345136995.db2.gz UOERWQVUMXPGOD-UHFFFAOYSA-N 1 0 260.150 3.116 10 0 CGAERO Cc1nn(C)c(Oc2ccccc2)c1C[NH2+]CC(C)C ZINC000062739163 345239685 /nfs/dbraw/zinc/23/96/85/345239685.db2.gz XCBMKEWSIUYGFL-UHFFFAOYSA-N 1 0 273.380 3.266 10 0 CGAERO CC(C)OCC[N@@H+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000066897165 345309979 /nfs/dbraw/zinc/30/99/79/345309979.db2.gz CZYREKBBOGHWNJ-INIZCTEOSA-N 1 0 277.408 3.264 10 0 CGAERO C[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC000070022714 345387677 /nfs/dbraw/zinc/38/76/77/345387677.db2.gz APZGOQPSBWAMIF-YFKPBYRVSA-N 1 0 250.086 3.008 10 0 CGAERO C[C@H]1C[N@H+](Cc2ccccc2)C2(CCCCC2)CN1 ZINC000068698893 345358465 /nfs/dbraw/zinc/35/84/65/345358465.db2.gz AGLSFLMZFCGCGP-HNNXBMFYSA-N 1 0 258.409 3.183 10 0 CGAERO [NH3+][C@H]1CC[C@@H](Cc2cccc(Br)c2)C1 ZINC000070740868 345393927 /nfs/dbraw/zinc/39/39/27/345393927.db2.gz HLZLISGHKIAGFV-JQWIXIFHSA-N 1 0 254.171 3.119 10 0 CGAERO CC[NH2+][C@H](Cc1cccc(Cl)c1)[C@H]1CCCO1 ZINC000087802467 345757608 /nfs/dbraw/zinc/75/76/08/345757608.db2.gz BVZWWNPXAANZMC-ZIAGYGMSSA-N 1 0 253.773 3.040 10 0 CGAERO Nc1ccc(-c2ccc(O[C@@H]3C[NH+]4CCC3CC4)cc2)cc1 ZINC000116472837 345978337 /nfs/dbraw/zinc/97/83/37/345978337.db2.gz QXIDHMXVLHBARX-LJQANCHMSA-N 1 0 294.398 3.409 10 0 CGAERO Fc1ccccc1[C@H]1C[NH2+]CCCN1c1ccccc1 ZINC000117614960 345984916 /nfs/dbraw/zinc/98/49/16/345984916.db2.gz OAFARYKJZLPOEE-QGZVFWFLSA-N 1 0 270.351 3.367 10 0 CGAERO C[C@@H]1[NH2+]CCc2c(Br)cc(Cl)cc21 ZINC000126650845 346025664 /nfs/dbraw/zinc/02/56/64/346025664.db2.gz QUWXJQXCQOVJTR-LURJTMIESA-N 1 0 260.562 3.309 10 0 CGAERO C[C@@H]([NH3+])c1nc(-c2ccc(Br)o2)cs1 ZINC000131792032 346067931 /nfs/dbraw/zinc/06/79/31/346067931.db2.gz NKZHIEIPSDQPLN-RXMQYKEDSA-N 1 0 273.155 3.185 10 0 CGAERO C[NH2+]C[C@H]1Cc2cccc(-c3cccc(F)c3)c2O1 ZINC000137445728 346093808 /nfs/dbraw/zinc/09/38/08/346093808.db2.gz PNGIJHUMQQCTQY-CQSZACIVSA-N 1 0 257.308 3.016 10 0 CGAERO [NH3+]CCP(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000141746492 346109223 /nfs/dbraw/zinc/10/92/23/346109223.db2.gz SGJYTKMGFSJIFH-UHFFFAOYSA-N 1 0 277.260 3.296 10 0 CGAERO C[C@@H]([NH3+])[C@@H](Cc1ccc(Cl)cc1)OCC1CCC1 ZINC000149924841 346131644 /nfs/dbraw/zinc/13/16/44/346131644.db2.gz POQZWZPRDMLEHO-IAQYHMDHSA-N 1 0 267.800 3.415 10 0 CGAERO C[NH2+]Cc1cc2c(o1)c(Br)ccc2F ZINC000160641411 346171221 /nfs/dbraw/zinc/17/12/21/346171221.db2.gz YGNCQJOUOQWIKE-UHFFFAOYSA-N 1 0 258.090 3.054 10 0 CGAERO CC[C@@H]1C[C@@]1(C[NH3+])c1ccccc1Br ZINC000160973733 346173486 /nfs/dbraw/zinc/17/34/86/346173486.db2.gz JSRIHUHAUXNNPU-SKDRFNHKSA-N 1 0 254.171 3.076 10 0 CGAERO C[C@H]1C[C@@H](c2ccc(Br)c(F)c2)C[NH2+]1 ZINC000161936023 346177302 /nfs/dbraw/zinc/17/73/02/346177302.db2.gz UBSORMMUWTVLAX-IONNQARKSA-N 1 0 258.134 3.054 10 0 CGAERO CC(C)(C)Nc1ccc(Br)cc1C[NH3+] ZINC000165226038 346184258 /nfs/dbraw/zinc/18/42/58/346184258.db2.gz LFTLGCLXWYQDJF-UHFFFAOYSA-N 1 0 257.175 3.118 10 0 CGAERO [NH3+]C[C@@]1(Cc2sccc2Br)CCCS1 ZINC000166516704 346186842 /nfs/dbraw/zinc/18/68/42/346186842.db2.gz BDTVEYKJQONGBV-JTQLQIEISA-N 1 0 292.267 3.278 10 0 CGAERO CC(C)[C@H]([NH3+])Cc1ccc(Br)c(F)c1 ZINC000167986177 346189979 /nfs/dbraw/zinc/18/99/79/346189979.db2.gz OOMILCXYBSZZTN-LLVKDONJSA-N 1 0 260.150 3.114 10 0 CGAERO CC[C@H]1C[C@]1([NH3+])c1ccc(F)c(Br)c1 ZINC000169252098 346192872 /nfs/dbraw/zinc/19/28/72/346192872.db2.gz FOCYTZOFOZFSBI-WRWORJQWSA-N 1 0 258.134 3.172 10 0 CGAERO CO[C@@H]1CCC12CC[NH+](Cc1sccc1C)CC2 ZINC000169791908 346193119 /nfs/dbraw/zinc/19/31/19/346193119.db2.gz VAHVINXWAOXZRF-CQSZACIVSA-N 1 0 265.422 3.448 10 0 CGAERO COc1c(C[N@@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)c(C)nn1C ZINC000127576749 187316827 /nfs/dbraw/zinc/31/68/27/187316827.db2.gz FJMRWBYPYPMOOD-BBRMVZONSA-N 1 0 299.418 3.115 10 0 CGAERO Fc1ccc(C2CC[NH2+]CC2)c(Br)c1 ZINC000218292467 346292983 /nfs/dbraw/zinc/29/29/83/346292983.db2.gz WYRMNELGXIQFRO-UHFFFAOYSA-N 1 0 258.134 3.055 10 0 CGAERO Fc1ccc(Br)c(F)c1[C@@H]1CCC[NH2+]1 ZINC000218455610 346293499 /nfs/dbraw/zinc/29/34/99/346293499.db2.gz PAYRXVAAYGTEIF-QMMMGPOBSA-N 1 0 262.097 3.152 10 0 CGAERO CN(C(=O)OC(C)(C)C)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000218940586 346294098 /nfs/dbraw/zinc/29/40/98/346294098.db2.gz GJIYACFBIIXIQB-LBPRGKRZSA-N 1 0 276.380 3.135 10 0 CGAERO [NH3+]CC1(c2ccc(C3CC3)nc2)CCC(F)(F)CC1 ZINC000217361522 346291028 /nfs/dbraw/zinc/29/10/28/346291028.db2.gz IGVAHQICTJFNIK-UHFFFAOYSA-N 1 0 266.335 3.365 10 0 CGAERO C[C@@H]([NH3+])/C=C/c1cc(Br)c(Br)o1 ZINC000231751764 346324065 /nfs/dbraw/zinc/32/40/65/346324065.db2.gz SBQSGNRGFZBLLM-WVSAJJKCSA-N 1 0 294.974 3.165 10 0 CGAERO Brc1occc1C[NH2+]C1CCCCC1 ZINC000232475072 346326025 /nfs/dbraw/zinc/32/60/25/346326025.db2.gz OFAQPGJINIYMSK-UHFFFAOYSA-N 1 0 258.159 3.464 10 0 CGAERO C[C@H]1[NH2+][C@@H](C)[C@H](C)N(Cc2ccc(Cl)cc2)[C@@H]1C ZINC000257351759 346399617 /nfs/dbraw/zinc/39/96/17/346399617.db2.gz GZDGWAQBEFNWHE-MPZDIEGVSA-N 1 0 266.816 3.299 10 0 CGAERO Cc1cc(C(C)(C)C)cc(C)c1CC[NH2+][C@H](C)CO ZINC000098131104 185691791 /nfs/dbraw/zinc/69/17/91/185691791.db2.gz FYZRVHCUVHQCMX-CQSZACIVSA-N 1 0 263.425 3.114 10 0 CGAERO [NH3+][C@@H]1CCCO[C@H]1c1cc(Cl)sc1Cl ZINC000306248680 346452517 /nfs/dbraw/zinc/45/25/17/346452517.db2.gz XQVURGGSVXLOEF-SVRRBLITSA-N 1 0 252.166 3.234 10 0 CGAERO [NH3+][C@]1(Cc2cc(Br)cs2)CC=CCC1 ZINC000306582825 346455561 /nfs/dbraw/zinc/45/55/61/346455561.db2.gz PKJSCYYURIHQLR-LLVKDONJSA-N 1 0 272.211 3.491 10 0 CGAERO [NH3+]Cc1csc(-c2csc(Br)c2)n1 ZINC000306737249 346457003 /nfs/dbraw/zinc/45/70/03/346457003.db2.gz YRKUINFKAFCCSP-UHFFFAOYSA-N 1 0 275.196 3.093 10 0 CGAERO C[C@@H]1[C@@H](Nc2ccnc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000306729068 346457149 /nfs/dbraw/zinc/45/71/49/346457149.db2.gz OGFAKZWOLTWHSZ-CJNGLKHVSA-N 1 0 285.366 3.296 10 0 CGAERO Cc1ccncc1N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000307398128 346462155 /nfs/dbraw/zinc/46/21/55/346462155.db2.gz XUHIIMICZOLEBA-RDJZCZTQSA-N 1 0 281.403 3.465 10 0 CGAERO CCN1CC[C@H]([NH2+]C[C@H](c2ccccc2)C(C)C)C1 ZINC000389130506 346572689 /nfs/dbraw/zinc/57/26/89/346572689.db2.gz FBTYVOHNHLIFNU-IRXDYDNUSA-N 1 0 260.425 3.110 10 0 CGAERO CC[C@H]1C[NH2+]C[C@H]1c1cccc(Br)c1 ZINC000536955484 346650616 /nfs/dbraw/zinc/65/06/16/346650616.db2.gz ZSHMDXWJMRPYKF-JOYOIKCWSA-N 1 0 254.171 3.162 10 0 CGAERO C[C@H]([NH3+])c1ccc(Cc2ccc3c(c2)OCO3)cc1 ZINC000584660177 346705747 /nfs/dbraw/zinc/70/57/47/346705747.db2.gz NGAKHGDKWQPLQS-NSHDSACASA-N 1 0 255.317 3.026 10 0 CGAERO Cc1cccc(CN2Cc3ccccc3NC2=[NH2+])c1 ZINC000584656656 346706022 /nfs/dbraw/zinc/70/60/22/346706022.db2.gz XZNYCZRDVSHFLZ-UHFFFAOYSA-N 1 0 251.333 3.357 10 0 CGAERO Fc1ccc(C2(C(F)F)CC2)c(C[NH2+]C2CC2)c1 ZINC000584595483 346686864 /nfs/dbraw/zinc/68/68/64/346686864.db2.gz ZGXRCWZRGJUWLM-UHFFFAOYSA-N 1 0 255.283 3.374 10 0 CGAERO C[C@@H]([NH2+]C/C=C/c1ccccc1)[C@H](O)c1ccccc1 ZINC000584596123 346687554 /nfs/dbraw/zinc/68/75/54/346687554.db2.gz OJAQFTRYJJGGCK-CTFLMOIJSA-N 1 0 267.372 3.412 10 0 CGAERO CC[NH+](CC)CCOc1ccc(CC[C@@H](O)C2CC2)cc1 ZINC000584597024 346687650 /nfs/dbraw/zinc/68/76/50/346687650.db2.gz SNCZLPJYYGNRGO-GOSISDBHSA-N 1 0 291.435 3.111 10 0 CGAERO C[NH+](C)CCC[C@]1(O)c2ccccc2C=Cc2cccnc21 ZINC000584617779 346694525 /nfs/dbraw/zinc/69/45/25/346694525.db2.gz PYJKOWSDIFIBJN-IBGZPJMESA-N 1 0 294.398 3.143 10 0 CGAERO C[C@@H](Cc1[nH+]c(C2CC2)n(C)c1N)c1ccccc1 ZINC000103501589 185845787 /nfs/dbraw/zinc/84/57/87/185845787.db2.gz MRFFTFDCFGJPRQ-NSHDSACASA-N 1 0 255.365 3.226 10 0 CGAERO COc1ccc(Cl)cc1-c1cncc([C@H]2CCC[NH2+]2)n1 ZINC000616579394 348835046 /nfs/dbraw/zinc/83/50/46/348835046.db2.gz QOXKVBXMXHVUEB-GFCCVEGCSA-N 1 0 289.766 3.230 10 0 CGAERO CC(=O)Nc1cccc([C@@H]2c3ccccc3CC[N@H+]2C)c1 ZINC000616587622 348836744 /nfs/dbraw/zinc/83/67/44/348836744.db2.gz ZFKBPBWZMSNAQA-GOSISDBHSA-N 1 0 280.371 3.222 10 0 CGAERO CC(C)(C)[N@@H+]1CCc2ccccc2[C@@H]1c1ccnc(N)c1 ZINC000616585206 348836827 /nfs/dbraw/zinc/83/68/27/348836827.db2.gz MUWPXGMUXJSDIJ-KRWDZBQOSA-N 1 0 281.403 3.240 10 0 CGAERO C[N@@H+]1CCc2ccccc2[C@@H]1c1cc2ccccc2nn1 ZINC000616586320 348837220 /nfs/dbraw/zinc/83/72/20/348837220.db2.gz GOFCPTLDWLKEIK-GOSISDBHSA-N 1 0 275.355 3.207 10 0 CGAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2cccc3nnccc32)CC1 ZINC000616596243 348839596 /nfs/dbraw/zinc/83/95/96/348839596.db2.gz TZQUBKDMTJSFFY-MRXNPFEDSA-N 1 0 285.391 3.192 10 0 CGAERO CC(C)[N@@H+]1CCOCC[C@H]1c1cnc2ccccc2c1 ZINC000616597118 348840223 /nfs/dbraw/zinc/84/02/23/348840223.db2.gz ATIISXMITVGAGD-KRWDZBQOSA-N 1 0 270.376 3.407 10 0 CGAERO CC(C)[N@@H+]1CCCC[C@@H](c2ccc(CCO)cc2)C1 ZINC000616604970 348843023 /nfs/dbraw/zinc/84/30/23/348843023.db2.gz HXOPLYQLZVPGLW-QGZVFWFLSA-N 1 0 261.409 3.199 10 0 CGAERO OCC[N@@H+]1CCCCC[C@H]1c1cccc2cccnc21 ZINC000616625575 348850592 /nfs/dbraw/zinc/85/05/92/348850592.db2.gz QITLSBLHKTZXPB-INIZCTEOSA-N 1 0 270.376 3.144 10 0 CGAERO OCC[N@@H+]1CCCCC[C@H]1c1cncc2ccccc21 ZINC000616629479 348851944 /nfs/dbraw/zinc/85/19/44/348851944.db2.gz JVGLAGQMEXBRBE-KRWDZBQOSA-N 1 0 270.376 3.144 10 0 CGAERO CC(C)[N@@H+]1CCCOC[C@H]1c1ccc2cnccc2c1 ZINC000616644481 348854936 /nfs/dbraw/zinc/85/49/36/348854936.db2.gz DISBPRLTUULPAH-KRWDZBQOSA-N 1 0 270.376 3.407 10 0 CGAERO CC(C)(C)[N@@H+]1CCO[C@H](c2cccc3ccncc32)C1 ZINC000616646705 348855685 /nfs/dbraw/zinc/85/56/85/348855685.db2.gz MECYKQRLMSEISG-INIZCTEOSA-N 1 0 270.376 3.407 10 0 CGAERO CC(C)(C)OC(=O)Nc1ccccc1[C@H]1C[NH2+]CCCO1 ZINC000616652450 348856848 /nfs/dbraw/zinc/85/68/48/348856848.db2.gz YVUXQROARVWOTB-CQSZACIVSA-N 1 0 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272.367 3.266 10 0 CGAERO COc1ccc([C@H]([NH3+])c2cc(C)sc2C)c(OC)c1 ZINC000020431469 171196024 /nfs/dbraw/zinc/19/60/24/171196024.db2.gz QURMEPSYPUPKKE-HNNXBMFYSA-N 1 0 277.389 3.430 10 0 CGAERO COc1cc(OC)cc([C@@H]([NH3+])c2cc(C)sc2C)c1 ZINC000020431486 171196135 /nfs/dbraw/zinc/19/61/35/171196135.db2.gz PKHLHHHISZTMMI-OAHLLOKOSA-N 1 0 277.389 3.430 10 0 CGAERO Cc1cc([C@H](C)NC[C@@H](C(C)C)[NH+](C)C)c(C)o1 ZINC000020439182 171203381 /nfs/dbraw/zinc/20/33/81/171203381.db2.gz BRSBHBKXVRWRKE-WFASDCNBSA-N 1 0 252.402 3.133 10 0 CGAERO Cc1ccc(Cl)cc1N[C@H]1C[NH+]2CCC1CC2 ZINC000020440211 171203986 /nfs/dbraw/zinc/20/39/86/171203986.db2.gz WYJVMFAKBPKJBT-AWEZNQCLSA-N 1 0 250.773 3.155 10 0 CGAERO Cc1c(Cl)cccc1N[C@H]1C[NH+]2CCC1CC2 ZINC000020440463 171204076 /nfs/dbraw/zinc/20/40/76/171204076.db2.gz PZZNICKDVIWGOP-AWEZNQCLSA-N 1 0 250.773 3.155 10 0 CGAERO CC[N@H+](Cc1ccccc1)Cc1ccccc1C(N)=S ZINC000020486428 171224968 /nfs/dbraw/zinc/22/49/68/171224968.db2.gz REFXCOBQJFVRAZ-UHFFFAOYSA-N 1 0 284.428 3.343 10 0 CGAERO C[NH2+]CCOc1cc(Cl)c(Cl)cc1Cl ZINC000020524917 171237903 /nfs/dbraw/zinc/23/79/03/171237903.db2.gz UAVYAMYOLOGUKR-UHFFFAOYSA-N 1 0 254.544 3.245 10 0 CGAERO CCCOc1ccc(OCCC[NH2+]C(C)C)cc1 ZINC000020525457 171238101 /nfs/dbraw/zinc/23/81/01/171238101.db2.gz NKXKSVAJAHQNEX-UHFFFAOYSA-N 1 0 251.370 3.242 10 0 CGAERO CCN(CC)CC[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000020551097 171247105 /nfs/dbraw/zinc/24/71/05/171247105.db2.gz KAJAXUBUGADNIS-BZUAXINKSA-N 1 0 254.462 3.379 10 0 CGAERO C[C@H]1CCCC[C@@H]1[NH2+]CC1(N(C)C)CCCCC1 ZINC000021015000 171289348 /nfs/dbraw/zinc/28/93/48/171289348.db2.gz GNPZYHIXUFTPMO-GJZGRUSLSA-N 1 0 252.446 3.419 10 0 CGAERO CC1(C)Cc2cccc(O[C@@H]3CCCCC[C@H]3[NH3+])c2O1 ZINC000021061573 171297323 /nfs/dbraw/zinc/29/73/23/171297323.db2.gz SWIKDDOTKYXZDL-ZIAGYGMSSA-N 1 0 275.392 3.439 10 0 CGAERO C[C@@H]1CC[C@H]([NH3+])[C@@H](Oc2cccc3c2OC(C)(C)C3)C1 ZINC000021813814 171331044 /nfs/dbraw/zinc/33/10/44/171331044.db2.gz RWHPXPVQKFTWCD-ZLDLUXBVSA-N 1 0 275.392 3.295 10 0 CGAERO CC(C)[C@@H]1CN(Cc2ccccc2)[C@@H](C(C)C)C[NH2+]1 ZINC000021986722 171345740 /nfs/dbraw/zinc/34/57/40/171345740.db2.gz XMTGCIQBPQKABH-DLBZAZTESA-N 1 0 260.425 3.141 10 0 CGAERO CCC[NH+](CCC)[C@H](C)C(=O)Nc1ccc(N)cc1Cl ZINC000022153775 171360685 /nfs/dbraw/zinc/36/06/85/171360685.db2.gz OAQZDEUOMSBPKT-LLVKDONJSA-N 1 0 297.830 3.371 10 0 CGAERO CCC[NH+](CCC)[C@@H](C)C(=O)Nc1cc(N)ccc1C ZINC000022156379 171362387 /nfs/dbraw/zinc/36/23/87/171362387.db2.gz XAGQVHVQAMBSED-ZDUSSCGKSA-N 1 0 277.412 3.026 10 0 CGAERO CC(C)N(C)[C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000022163555 171364527 /nfs/dbraw/zinc/36/45/27/171364527.db2.gz BSAGGHPQBPFRPO-LBPRGKRZSA-N 1 0 261.196 3.333 10 0 CGAERO Cc1ccccc1C(=O)Nc1cccc([C@H](C)[NH3+])c1 ZINC000022213472 171374209 /nfs/dbraw/zinc/37/42/09/171374209.db2.gz VDONXNZKFZPJNK-LBPRGKRZSA-N 1 0 254.333 3.267 10 0 CGAERO COc1cccc([C@@H]([NH3+])COc2cc(C)ccc2C)c1 ZINC000022564883 171391912 /nfs/dbraw/zinc/39/19/12/171391912.db2.gz YLKKANQSVIEOAZ-INIZCTEOSA-N 1 0 271.360 3.391 10 0 CGAERO COc1ccc([C@@H]([NH3+])[C@H](C)Oc2ccc(F)cc2)cc1 ZINC000022566672 171392387 /nfs/dbraw/zinc/39/23/87/171392387.db2.gz VOMJAOKEEOZVOB-ZBEGNZNMSA-N 1 0 275.323 3.302 10 0 CGAERO [NH3+][C@H]1CCCCCCCCCC[C@H]1n1cncn1 ZINC000023070698 171410484 /nfs/dbraw/zinc/41/04/84/171410484.db2.gz BMASVTIPUBCGLU-UONOGXRCSA-N 1 0 250.390 3.061 10 0 CGAERO CC[NH2+][C@@H]1CCN(C(c2ccccc2)c2ccccc2)C1 ZINC000033756163 171820189 /nfs/dbraw/zinc/82/01/89/171820189.db2.gz ZYLFUOYKGALLNE-GOSISDBHSA-N 1 0 280.415 3.460 10 0 CGAERO CCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000035011036 171929039 /nfs/dbraw/zinc/92/90/39/171929039.db2.gz VSFSXZUDEDIKJN-HZSPNIEDSA-N 1 0 268.445 3.096 10 0 CGAERO CCNC(=O)C[NH2+][C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000035138886 172006826 /nfs/dbraw/zinc/00/68/26/172006826.db2.gz ASJAAXHQHUILGN-CQSZACIVSA-N 1 0 282.387 3.140 10 0 CGAERO C[C@H]1CCC[C@](C[NH3+])(N2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000035176777 172030218 /nfs/dbraw/zinc/03/02/18/172030218.db2.gz VLPQQYVKBVLFQN-NXOAAHMSSA-N 1 0 264.457 3.406 10 0 CGAERO O=C(C[NH2+][C@H]1CCCc2ccccc21)NC1CCCCC1 ZINC000035179178 172032598 /nfs/dbraw/zinc/03/25/98/172032598.db2.gz MNEYQCWRKUYLLQ-KRWDZBQOSA-N 1 0 286.419 3.103 10 0 CGAERO CCCOc1ccc(C[NH2+]CC)c(OC(C)C)c1 ZINC000035414398 172187219 /nfs/dbraw/zinc/18/72/19/172187219.db2.gz GAAJRZBRZDIJIZ-UHFFFAOYSA-N 1 0 251.370 3.372 10 0 CGAERO COc1ccc([C@@H]([NH3+])c2sccc2C)cc1F ZINC000035424406 172192399 /nfs/dbraw/zinc/19/23/99/172192399.db2.gz ULTPIIGTXLKPFT-GFCCVEGCSA-N 1 0 251.326 3.252 10 0 CGAERO C[NH2+][C@@H](c1ccoc1)c1ccc(OC)c(Cl)c1 ZINC000035461599 172210329 /nfs/dbraw/zinc/21/03/29/172210329.db2.gz QGOROAKTOZHAHZ-CYBMUJFWSA-N 1 0 251.713 3.250 10 0 CGAERO C[NH2+][C@H](c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000035463716 172211717 /nfs/dbraw/zinc/21/17/17/172211717.db2.gz RRYICNAUHQOQMP-CQSZACIVSA-N 1 0 251.251 3.413 10 0 CGAERO C[NH2+][C@@H](CC(F)(F)F)c1ccc(CCOC)cc1 ZINC000035467585 172215977 /nfs/dbraw/zinc/21/59/77/172215977.db2.gz ZUWQNTGGMIAHAM-LBPRGKRZSA-N 1 0 261.287 3.088 10 0 CGAERO C[NH2+][C@@H](CC(F)(F)F)c1cc(F)ccc1OC ZINC000035499359 172233076 /nfs/dbraw/zinc/23/30/76/172233076.db2.gz YXUPYJDGKQCPBE-VIFPVBQESA-N 1 0 251.223 3.047 10 0 CGAERO C[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@H]1CCCO1 ZINC000035501970 172236775 /nfs/dbraw/zinc/23/67/75/172236775.db2.gz HIBQJMDMQKWLRS-VXGBXAGGSA-N 1 0 260.164 3.433 10 0 CGAERO C[NH2+][C@@H](Cc1ncc[nH]1)c1ccc(Cl)cc1Cl ZINC000035503595 172237668 /nfs/dbraw/zinc/23/76/68/172237668.db2.gz UASHFCRNNYFMIJ-NSHDSACASA-N 1 0 270.163 3.220 10 0 CGAERO C[NH2+][C@H](c1ccc(OC)c(F)c1)c1ccccc1F ZINC000035507888 172240819 /nfs/dbraw/zinc/24/08/19/172240819.db2.gz RMENOMHBUPYXJU-OAHLLOKOSA-N 1 0 263.287 3.282 10 0 CGAERO CCC[C@H](C)[C@@H]([NH2+]CC)c1ccc2c(c1)CC(=O)N2 ZINC000035549992 172257477 /nfs/dbraw/zinc/25/74/77/172257477.db2.gz VQSMSVQEUIEGBW-MEDUHNTESA-N 1 0 260.381 3.268 10 0 CGAERO CC[NH2+][C@@H](c1cnn(C)c1)c1ccc(C(C)C)cc1 ZINC000035555739 172261638 /nfs/dbraw/zinc/26/16/38/172261638.db2.gz CQHXGFIEXFCLAR-MRXNPFEDSA-N 1 0 257.381 3.242 10 0 CGAERO Cc1cc(NC(=O)OC(C)(C)C)c(C)cc1C[NH3+] ZINC000035570132 172265475 /nfs/dbraw/zinc/26/54/75/172265475.db2.gz IUPOPYKFYHXYGC-UHFFFAOYSA-N 1 0 250.342 3.109 10 0 CGAERO CCC[NH2+][C@H](c1cc(F)ccc1OC)[C@H]1CCCO1 ZINC000035583929 172282424 /nfs/dbraw/zinc/28/24/24/172282424.db2.gz FNXAANHIBKFKIJ-HUUCEWRRSA-N 1 0 267.344 3.054 10 0 CGAERO CCC[NH2+][C@H](Cc1ccc(Cl)cc1)c1cnn(C)c1 ZINC000035584123 172283660 /nfs/dbraw/zinc/28/36/60/172283660.db2.gz IYWFVEDCROSKOV-OAHLLOKOSA-N 1 0 277.799 3.357 10 0 CGAERO COCc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)ccc1OC ZINC000035660721 172337825 /nfs/dbraw/zinc/33/78/25/172337825.db2.gz QQRZNHYHJKJWCG-XEZPLFJOSA-N 1 0 293.407 3.060 10 0 CGAERO CN(Cc1cccs1)[C@H](C[NH3+])C1CCCCC1 ZINC000035716914 172370780 /nfs/dbraw/zinc/37/07/80/172370780.db2.gz XDRIINSKXDMGJW-CQSZACIVSA-N 1 0 252.427 3.088 10 0 CGAERO [NH3+]Cc1ccc(Sc2ncccn2)cc1C(F)(F)F ZINC000035719937 172374810 /nfs/dbraw/zinc/37/48/10/172374810.db2.gz KVZRXDIUXCWQTP-UHFFFAOYSA-N 1 0 285.294 3.105 10 0 CGAERO Cc1csc(SCc2cccc(C[NH3+])c2)n1 ZINC000035724611 172379512 /nfs/dbraw/zinc/37/95/12/172379512.db2.gz KLUFBNCJVXCWMQ-UHFFFAOYSA-N 1 0 250.392 3.203 10 0 CGAERO CC[N@@H+]1CCC[C@H]([C@@H](C)N[C@@H](C)c2ccco2)C1 ZINC000035738486 172391996 /nfs/dbraw/zinc/39/19/96/172391996.db2.gz ONGFGVCOOBQBQD-RDBSUJKOSA-N 1 0 250.386 3.051 10 0 CGAERO Clc1cccc2nc(N[C@H]3C[NH+]4CCC3CC4)sc21 ZINC000037206661 173027585 /nfs/dbraw/zinc/02/75/85/173027585.db2.gz OROHFSTWYQBFEL-LBPRGKRZSA-N 1 0 293.823 3.456 10 0 CGAERO CCC(CC)[C@H](CN[C@@H](C)c1scnc1C)[NH+](C)C ZINC000037241184 173057867 /nfs/dbraw/zinc/05/78/67/173057867.db2.gz OIROQMYLSSYWEH-FZMZJTMJSA-N 1 0 283.485 3.469 10 0 CGAERO CO[C@H]1CCCC[C@@H]1Nc1ccccc1C[NH+](C)C ZINC000037320573 173120867 /nfs/dbraw/zinc/12/08/67/173120867.db2.gz ZYTSVMRFOSFDJL-HOTGVXAUSA-N 1 0 262.397 3.118 10 0 CGAERO CC[C@H](C)[NH2+]CC(=O)Nc1cccc2ccccc21 ZINC000037386332 173169153 /nfs/dbraw/zinc/16/91/53/173169153.db2.gz ZURORYLDMSPHHM-LBPRGKRZSA-N 1 0 256.349 3.166 10 0 CGAERO CCCn1c2ccc(C)cc2nc1[C@@H]1CCC[NH2+]C1 ZINC000037438206 173208502 /nfs/dbraw/zinc/20/85/02/173208502.db2.gz VUIROPMGQRNHTP-CYBMUJFWSA-N 1 0 257.381 3.222 10 0 CGAERO CCC[C@@](C)([NH3+])c1nc2c(cccc2F)n1C1CC1 ZINC000037442996 173211801 /nfs/dbraw/zinc/21/18/01/173211801.db2.gz UQBMMDASUDOSBL-OAHLLOKOSA-N 1 0 261.344 3.484 10 0 CGAERO [NH3+]C1(Cc2ccccc2Cl)Cc2ccccc2C1 ZINC000037530841 173253356 /nfs/dbraw/zinc/25/33/56/173253356.db2.gz NNJXRLLUVGBHBL-UHFFFAOYSA-N 1 0 257.764 3.379 10 0 CGAERO [NH3+]C1CCC(c2nc3cc(F)ccc3s2)CC1 ZINC000037562293 173272761 /nfs/dbraw/zinc/27/27/61/173272761.db2.gz XLFBFZVUHZUWMJ-UHFFFAOYSA-N 1 0 250.342 3.420 10 0 CGAERO COc1ccc(CC[NH3+])cc1OCc1ccc(Cl)s1 ZINC000037721751 173640043 /nfs/dbraw/zinc/64/00/43/173640043.db2.gz FRESAXQKADGOTC-UHFFFAOYSA-N 1 0 297.807 3.490 10 0 CGAERO [NH3+]CCc1cc(Cl)cc(Cl)c1OCc1ccccn1 ZINC000037722066 173640450 /nfs/dbraw/zinc/64/04/50/173640450.db2.gz KCHIBDXZLULSFG-UHFFFAOYSA-N 1 0 297.185 3.469 10 0 CGAERO CC[C@H]([NH3+])Cc1ccc(OC)c(OC/C=C/Cl)c1 ZINC000037728236 173647868 /nfs/dbraw/zinc/64/78/68/173647868.db2.gz DQFUPXNSVKZOND-NTYUQYKDSA-N 1 0 269.772 3.106 10 0 CGAERO CCCCN(CC(F)(F)F)C(=O)CCCCCC[NH3+] ZINC000037812012 173757294 /nfs/dbraw/zinc/75/72/94/173757294.db2.gz QCIDOFFVGISRKI-UHFFFAOYSA-N 1 0 282.350 3.087 10 0 CGAERO Cc1ccc(C)c(OC[C@H](O)C[NH2+]CCCC(C)C)c1 ZINC000037984780 173945811 /nfs/dbraw/zinc/94/58/11/173945811.db2.gz UKBUSUQOUPLZSA-MRXNPFEDSA-N 1 0 279.424 3.069 10 0 CGAERO CC[C@@H]([NH2+]C[C@@H](C)N1CCCCC1)c1ccc(O)cc1 ZINC000038028385 174016551 /nfs/dbraw/zinc/01/65/51/174016551.db2.gz XFMUFUXDLWZNSN-RHSMWYFYSA-N 1 0 276.424 3.307 10 0 CGAERO CCCOc1ccc(Cl)cc1NC1CC[NH2+]CC1 ZINC000038041527 174041908 /nfs/dbraw/zinc/04/19/08/174041908.db2.gz KEIWWYFXABGRQX-UHFFFAOYSA-N 1 0 268.788 3.293 10 0 CGAERO CC[NH2+][C@@H](c1ccco1)c1ccc2c(c1)CCCO2 ZINC000038058093 174068721 /nfs/dbraw/zinc/06/87/21/174068721.db2.gz PRVJYUIOOVQZFR-MRXNPFEDSA-N 1 0 257.333 3.304 10 0 CGAERO COc1ccc(-c2cccnc2)cc1C[NH2+]C1CC1 ZINC000038069944 174080878 /nfs/dbraw/zinc/08/08/78/174080878.db2.gz LAZUTEXHHSLCDT-UHFFFAOYSA-N 1 0 254.333 3.009 10 0 CGAERO Nc1c(Nc2cc[nH+]cc2)ncnc1Nc1ccc(F)cc1 ZINC000040687602 174375918 /nfs/dbraw/zinc/37/59/18/174375918.db2.gz OGPPLFHLNUUEFS-UHFFFAOYSA-N 1 0 296.309 3.080 10 0 CGAERO C[NH2+]CC[C@@H](c1cc(Cl)ccc1OC)C1CC1 ZINC000041324016 174520689 /nfs/dbraw/zinc/52/06/89/174520689.db2.gz GIXPSXSCFKJBOV-GFCCVEGCSA-N 1 0 253.773 3.452 10 0 CGAERO COc1ccc(C[C@H](C[NH3+])Cc2ccccc2F)cc1F ZINC000041478979 174559348 /nfs/dbraw/zinc/55/93/48/174559348.db2.gz CVVXCZWITXHMAL-ZDUSSCGKSA-N 1 0 291.341 3.334 10 0 CGAERO COc1ccccc1O[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000042903343 174906968 /nfs/dbraw/zinc/90/69/68/174906968.db2.gz CTJOOABLNQMLLX-MLGOLLRUSA-N 1 0 257.333 3.163 10 0 CGAERO C[C@@H]([NH3+])[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC000042904185 174907248 /nfs/dbraw/zinc/90/72/48/174907248.db2.gz NLWNKIRDGRXQLC-MEBBXXQBSA-N 1 0 263.287 3.432 10 0 CGAERO C[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)N1CCCCC1 ZINC000042952015 174924431 /nfs/dbraw/zinc/92/44/31/174924431.db2.gz RCPIPIAJEVRRIJ-RISCZKNCSA-N 1 0 297.240 3.323 10 0 CGAERO CC[C@@H]([NH3+])[C@@H](c1cccs1)N(C)CC(F)(F)F ZINC000043104830 174970326 /nfs/dbraw/zinc/97/03/26/174970326.db2.gz WDEPPAZSQZXHLP-SCZZXKLOSA-N 1 0 266.332 3.021 10 0 CGAERO [NH3+]C1(c2nc(-c3ccc(Cl)cc3)cs2)CC1 ZINC000043250775 174993898 /nfs/dbraw/zinc/99/38/98/174993898.db2.gz NIAWZZAHDQAHRO-UHFFFAOYSA-N 1 0 250.754 3.411 10 0 CGAERO C[NH2+]CC[C@H](Oc1ccc(O)cc1C)c1ccccc1 ZINC000043328746 175009918 /nfs/dbraw/zinc/00/99/18/175009918.db2.gz PPXQPRLGNSJNJM-KRWDZBQOSA-N 1 0 271.360 3.430 10 0 CGAERO Cc1ccc([C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1C ZINC000043501798 175058467 /nfs/dbraw/zinc/05/84/67/175058467.db2.gz WZMJKHLLTLHXBC-LJQANCHMSA-N 1 0 281.399 3.395 10 0 CGAERO CCCCN(CC[NH3+])Cc1cc(Br)cs1 ZINC000043687697 175094987 /nfs/dbraw/zinc/09/49/87/175094987.db2.gz YPBZZWMPALFVKM-UHFFFAOYSA-N 1 0 291.258 3.071 10 0 CGAERO C[NH2+][C@@H](C)[C@@H](C)Cc1cc(Br)cs1 ZINC000043688061 175095100 /nfs/dbraw/zinc/09/51/00/175095100.db2.gz STBJVTOCXBBNQW-YUMQZZPRSA-N 1 0 262.216 3.297 10 0 CGAERO CCCOc1ccc([C@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000044113889 175140920 /nfs/dbraw/zinc/14/09/20/175140920.db2.gz NDRFMZHVWGPOCQ-RVKKMQEKSA-N 1 0 291.435 3.487 10 0 CGAERO COc1ccc([C@H](O)C[N@H+](C)C2CCCCC2)c(OC)c1 ZINC000044120472 175142553 /nfs/dbraw/zinc/14/25/53/175142553.db2.gz ZCAVTBVSPPRZGO-MRXNPFEDSA-N 1 0 293.407 3.002 10 0 CGAERO COc1ccc(-c2ccc(C[C@@H](C)[NH3+])cc2)cc1OC ZINC000044461096 175177525 /nfs/dbraw/zinc/17/75/25/175177525.db2.gz LIRDFVCKQMUPAB-GFCCVEGCSA-N 1 0 271.360 3.261 10 0 CGAERO Cc1cccc(NC(=O)C2(C[NH3+])CCCCC2)c1C ZINC000044752918 175245632 /nfs/dbraw/zinc/24/56/32/175245632.db2.gz QUIILSOXNXCEBE-UHFFFAOYSA-N 1 0 260.381 3.151 10 0 CGAERO CCCCC[NH2+]Cc1nn(CC)nc1-c1ccccc1 ZINC000045944834 175387536 /nfs/dbraw/zinc/38/75/36/175387536.db2.gz PNQXEABVJBZKMW-UHFFFAOYSA-N 1 0 272.396 3.245 10 0 CGAERO c1ccc2sc(OCC[C@@H]3CCC[NH2+]C3)nc2c1 ZINC000051918651 175527293 /nfs/dbraw/zinc/52/72/93/175527293.db2.gz ZFDPHSNZJBNGDT-NSHDSACASA-N 1 0 262.378 3.065 10 0 CGAERO CC[NH+](CC)CCCNc1n[nH]c2cccc(Cl)c21 ZINC000059156273 175630684 /nfs/dbraw/zinc/63/06/84/175630684.db2.gz UHCKNTCFGRHPFF-UHFFFAOYSA-N 1 0 280.803 3.360 10 0 CGAERO CC[NH2+][C@@H]1CCCc2nc(N(C)CC3CCC3)sc21 ZINC000061486725 175648798 /nfs/dbraw/zinc/64/87/98/175648798.db2.gz FXXMSWXMSOXPFA-GFCCVEGCSA-N 1 0 279.453 3.366 10 0 CGAERO CC(C)CC[C@@H](C)[NH2+]C[C@H](O)COCc1cccs1 ZINC000070185177 175880595 /nfs/dbraw/zinc/88/05/95/175880595.db2.gz QFMHWBUFBPFADF-KGLIPLIRSA-N 1 0 285.453 3.040 10 0 CGAERO CCC[NH2+][C@H]1CCC[C@@H]1Oc1cc(F)ccc1F ZINC000071167684 176049437 /nfs/dbraw/zinc/04/94/37/176049437.db2.gz OCDXQXUWAGKUEN-STQMWFEESA-N 1 0 255.308 3.264 10 0 CGAERO CC(C)CC[NH2+]C[C@H](C)Oc1cc(F)ccc1F ZINC000071168905 176049896 /nfs/dbraw/zinc/04/98/96/176049896.db2.gz XSGQTWJCTWMGIM-NSHDSACASA-N 1 0 257.324 3.368 10 0 CGAERO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H]1CCC[C@@H]1C ZINC000071209501 176082244 /nfs/dbraw/zinc/08/22/44/176082244.db2.gz ODBSBGKZBOBAHL-NIOBXDJOSA-N 1 0 250.430 3.170 10 0 CGAERO C[C@H]1CCCC[C@H]1OCc1ccc(F)cc1C[NH3+] ZINC000071264161 176097331 /nfs/dbraw/zinc/09/73/31/176097331.db2.gz CCZXQSXLZMSEFY-XHDPSFHLSA-N 1 0 251.345 3.380 10 0 CGAERO CCCC[C@@H]([NH2+]C[C@@H](O)C1CC1)c1ccc(F)cc1 ZINC000071300253 176113693 /nfs/dbraw/zinc/11/36/93/176113693.db2.gz WEAMWNWKFNORJG-HZPDHXFCSA-N 1 0 265.372 3.418 10 0 CGAERO C[NH2+][C@H](CCO)c1ccc(Oc2ccccc2)cc1 ZINC000071582333 176207243 /nfs/dbraw/zinc/20/72/43/176207243.db2.gz ATJPDOXCSVAHQN-MRXNPFEDSA-N 1 0 257.333 3.122 10 0 CGAERO CCCCc1ccc([C@H]([C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000071587061 176214520 /nfs/dbraw/zinc/21/45/20/176214520.db2.gz JEJACVKSCLGVRO-DLBZAZTESA-N 1 0 260.425 3.384 10 0 CGAERO C[NH2+][C@H](C(C)C)[C@@H](O)c1ccc(C(C)C)cc1OC ZINC000071598072 176221662 /nfs/dbraw/zinc/22/16/62/176221662.db2.gz SCJKHJPAHIISHL-CVEARBPZSA-N 1 0 265.397 3.096 10 0 CGAERO Cc1[nH]nc2c1[C@@H]([NH3+])C[C@H](c1ccc(Cl)cc1)C2 ZINC000072415393 176399427 /nfs/dbraw/zinc/39/94/27/176399427.db2.gz XRVKOGFVHGFGGL-JQWIXIFHSA-N 1 0 261.756 3.101 10 0 CGAERO Cc1nn(-c2nc3ccccc3s2)c(C)c1[C@H](C)[NH3+] ZINC000072415717 176399696 /nfs/dbraw/zinc/39/96/96/176399696.db2.gz OSHYBQZXBUFQGV-QMMMGPOBSA-N 1 0 272.377 3.119 10 0 CGAERO CC(C)(C)[NH2+][C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000073652613 176482540 /nfs/dbraw/zinc/48/25/40/176482540.db2.gz NPIZGLUAGGLHGU-HNNXBMFYSA-N 1 0 290.407 3.176 10 0 CGAERO Cc1ccc(F)c(-c2nc3cc(C[NH3+])ccc3n2C)c1 ZINC000075901918 176817325 /nfs/dbraw/zinc/81/73/25/176817325.db2.gz MUIBFFJKVFAKLE-UHFFFAOYSA-N 1 0 269.323 3.147 10 0 CGAERO CCCc1ccc(-c2oc(C)nc2CCC[NH3+])cc1 ZINC000076315624 176983177 /nfs/dbraw/zinc/98/31/77/176983177.db2.gz FKMGEWQTFVMPJZ-UHFFFAOYSA-N 1 0 258.365 3.494 10 0 CGAERO COc1cc(C)c([C@@H](CC[NH3+])C(C)C)c(OC)c1 ZINC000076656060 177045515 /nfs/dbraw/zinc/04/55/15/177045515.db2.gz QEMNAVWWBIQFTM-ZDUSSCGKSA-N 1 0 251.370 3.101 10 0 CGAERO COc1ccc([C@H](CC[NH3+])C(C)(C)C)c(OC)c1 ZINC000076656055 177045539 /nfs/dbraw/zinc/04/55/39/177045539.db2.gz MCUSWRYHSNLITQ-ZDUSSCGKSA-N 1 0 251.370 3.182 10 0 CGAERO Cc1ccc(CC[C@H](CC[NH3+])c2cccnc2)cc1 ZINC000076658500 177047351 /nfs/dbraw/zinc/04/73/51/177047351.db2.gz GUQJNOATBPVZNK-MRXNPFEDSA-N 1 0 254.377 3.455 10 0 CGAERO [NH3+]C[C@@H](c1cc(Br)ccc1F)C1CC1 ZINC000076665346 177050568 /nfs/dbraw/zinc/05/05/68/177050568.db2.gz CIGXVABZSFVVPY-SNVBAGLBSA-N 1 0 258.134 3.041 10 0 CGAERO [NH3+]CC[C@@H](CCc1ccccc1F)c1ccccn1 ZINC000076666259 177050949 /nfs/dbraw/zinc/05/09/49/177050949.db2.gz DETZXKVQMMLJPS-CQSZACIVSA-N 1 0 258.340 3.286 10 0 CGAERO COc1ccc(CC[C@H](C[NH3+])c2cccs2)cc1 ZINC000076672982 177054692 /nfs/dbraw/zinc/05/46/92/177054692.db2.gz UXAVEOXXBCRSOK-CYBMUJFWSA-N 1 0 261.390 3.432 10 0 CGAERO CCC[C@H](CC[NH3+])C(=O)Nc1c(C)cc(C)cc1C ZINC000076675583 177055936 /nfs/dbraw/zinc/05/59/36/177055936.db2.gz MWMXOWRWVXHOLT-CQSZACIVSA-N 1 0 262.397 3.315 10 0 CGAERO CC(C)C[C@@H](C[NH3+])CC(=O)Nc1cccc(Cl)c1 ZINC000076705955 177065432 /nfs/dbraw/zinc/06/54/32/177065432.db2.gz CASUJLRNYRLOPK-LLVKDONJSA-N 1 0 268.788 3.290 10 0 CGAERO CC(C)[C@H](C[NH3+])CCC(=O)Nc1ccc(Cl)cc1 ZINC000076706053 177066004 /nfs/dbraw/zinc/06/60/04/177066004.db2.gz HBRUGNILUWEOGL-NSHDSACASA-N 1 0 268.788 3.290 10 0 CGAERO C[NH2+][C@H](C)c1csc(Cc2ccc(OC)c(OC)c2)n1 ZINC000076784767 177092447 /nfs/dbraw/zinc/09/24/47/177092447.db2.gz RQQVVMOPPADTPZ-SNVBAGLBSA-N 1 0 292.404 3.032 10 0 CGAERO C[C@H](NC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)c1ccccc1Cl ZINC000407263897 416559137 /nfs/dbraw/zinc/55/91/37/416559137.db2.gz LSAORSANPQRLHD-VQISRLSMSA-N 1 0 292.810 3.048 10 0 CGAERO CCCC[C@@H](C[NH3+])NC(=O)C1(CC(C)C)CCCC1 ZINC000130346225 287353000 /nfs/dbraw/zinc/35/30/00/287353000.db2.gz LUUMSXCCGZPHKP-AWEZNQCLSA-N 1 0 268.445 3.227 10 0 CGAERO CC(C)[C@@H]1CCC[C@@](C[NH3+])(C(=O)OC(C)(C)C)C1 ZINC000725245569 544112274 /nfs/dbraw/zinc/11/22/74/544112274.db2.gz WAVMMCNQONZORV-IUODEOHRSA-N 1 0 255.402 3.119 10 0 CGAERO CC(C)(C)OC(=O)c1csc(-c2cccc(C[NH3+])c2)n1 ZINC000725263486 544113890 /nfs/dbraw/zinc/11/38/90/544113890.db2.gz JRVSCYPFNXCUFZ-UHFFFAOYSA-N 1 0 290.388 3.224 10 0 CGAERO C[NH2+][C@H](C)c1c(Br)ccc(F)c1F ZINC000725261982 544114123 /nfs/dbraw/zinc/11/41/23/544114123.db2.gz PNGSTOJFBVTFTN-RXMQYKEDSA-N 1 0 250.086 3.008 10 0 CGAERO C[C@H]([NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1)C(=O)NC1CC1 ZINC000134843897 287454115 /nfs/dbraw/zinc/45/41/15/287454115.db2.gz JSDOUMHQAQXFQN-STQMWFEESA-N 1 0 288.435 3.302 10 0 CGAERO CCC[C@@H](C(=O)NCc1cccc2ccccc21)[NH+](C)C ZINC000135112010 287461315 /nfs/dbraw/zinc/46/13/15/287461315.db2.gz BVZQDCNFRAAUOP-KRWDZBQOSA-N 1 0 284.403 3.186 10 0 CGAERO OCC1CC([NH2+][C@@H]2CCCC[C@@H]2C2CCCCC2)C1 ZINC000658352866 418947221 /nfs/dbraw/zinc/94/72/21/418947221.db2.gz BKQYGWQHIWDLBZ-OKEQZYBDSA-N 1 0 265.441 3.486 10 0 CGAERO CC(C)c1nccnc1NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000664630526 418989119 /nfs/dbraw/zinc/98/91/19/418989119.db2.gz DGRGBHKABSWGSS-MRXNPFEDSA-N 1 0 296.418 3.286 10 0 CGAERO Clc1cccc(CC[NH2+]CC[C@@H]2CCCO2)c1 ZINC000656473706 419175459 /nfs/dbraw/zinc/17/54/59/419175459.db2.gz ABOGBVSGQWBITO-AWEZNQCLSA-N 1 0 253.773 3.041 10 0 CGAERO Cc1ncc(C[NH2+][C@H](C)c2ccc(C)cc2C)n1C ZINC000657317345 419249126 /nfs/dbraw/zinc/24/91/26/419249126.db2.gz DATYGJSPIACZOW-CYBMUJFWSA-N 1 0 257.381 3.196 10 0 CGAERO C[C@@H]([NH2+]Cc1cnc2n1CCC2)c1ccc(F)c(Cl)c1 ZINC000657328111 419251627 /nfs/dbraw/zinc/25/16/27/419251627.db2.gz SEGFZFUNMBYYSW-SNVBAGLBSA-N 1 0 293.773 3.473 10 0 CGAERO Cc1cc(C[NH3+])cc(NC(=O)N2CC(C)(C)[C@@H]2C2CC2)c1 ZINC000333586855 228205824 /nfs/dbraw/zinc/20/58/24/228205824.db2.gz ONENTFVMVDTYBL-HNNXBMFYSA-N 1 0 287.407 3.106 10 0 CGAERO COc1ccc(Cl)c(C[NH2+][C@H](C)[C@H]2CCCO2)c1 ZINC000192180692 287595849 /nfs/dbraw/zinc/59/58/49/287595849.db2.gz MMBJHMDUOLBFMG-QMTHXVAHSA-N 1 0 269.772 3.006 10 0 CGAERO CC[C@H](C)NC(=O)CC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000195658515 287600427 /nfs/dbraw/zinc/60/04/27/287600427.db2.gz KOCAMZRGSNMYEJ-CAOSSQGBSA-N 1 0 282.472 3.342 10 0 CGAERO Cc1ccccc1[C@@H]([NH2+]CC[C@@H](C)O)c1ccccc1 ZINC000093248960 292644496 /nfs/dbraw/zinc/64/44/96/292644496.db2.gz KSWUICYGJZOFKC-QAPCUYQASA-N 1 0 269.388 3.445 10 0 CGAERO CC(C)(O)C[NH2+]C1c2ccccc2CCc2ccccc21 ZINC000180515254 260105010 /nfs/dbraw/zinc/10/50/10/260105010.db2.gz OAWNQSABMBGEMY-UHFFFAOYSA-N 1 0 281.399 3.235 10 0 CGAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C[C@@H]1CCCCC1(F)F ZINC000390914993 262363015 /nfs/dbraw/zinc/36/30/15/262363015.db2.gz DKWDNUYCMUQPTH-ILXRZTDVSA-N 1 0 286.410 3.371 10 0 CGAERO CCCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000035206897 270027704 /nfs/dbraw/zinc/02/77/04/270027704.db2.gz SMWJGPXRDWANKK-NWDGAFQWSA-N 1 0 268.426 3.094 10 0 CGAERO COc1ccccc1[C@@H](C)[NH2+][C@H](CC(C)C)CN(C)C ZINC000037166890 270028680 /nfs/dbraw/zinc/02/86/80/270028680.db2.gz KLWVUUYMJSKKPR-HUUCEWRRSA-N 1 0 278.440 3.322 10 0 CGAERO CC(C)[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000042269378 270032168 /nfs/dbraw/zinc/03/21/68/270032168.db2.gz IPSPAPGKTCRKQG-ZJUUUORDSA-N 1 0 288.844 3.213 10 0 CGAERO CC(C)CCN(CCC(C)C)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085367789 270043455 /nfs/dbraw/zinc/04/34/55/270043455.db2.gz IFSZZSOPJVQGGQ-GJZGRUSLSA-N 1 0 268.445 3.035 10 0 CGAERO CC(C)c1ccc([C@@H](C)NC(=O)[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000085362357 270043646 /nfs/dbraw/zinc/04/36/46/270043646.db2.gz XIOMMQZXSQUPJL-WQVCFCJDSA-N 1 0 274.408 3.115 10 0 CGAERO CC(C)(C)NC(=O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000105863037 270048081 /nfs/dbraw/zinc/04/80/81/270048081.db2.gz RFJRJHITALBUEB-OAHLLOKOSA-N 1 0 294.826 3.295 10 0 CGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)C12CCOCC2 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O[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000251287394 287832837 /nfs/dbraw/zinc/83/28/37/287832837.db2.gz NIHSALBARYTKJX-XUWVNRHRSA-N 1 0 251.414 3.096 10 0 CGAERO CCc1ccc(C[NH2+][C@H]2COc3ccccc32)cc1 ZINC000070070326 276668597 /nfs/dbraw/zinc/66/85/97/276668597.db2.gz NHVUGCVGYZFANW-INIZCTEOSA-N 1 0 253.345 3.472 10 0 CGAERO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccsc1 ZINC000179200706 277108179 /nfs/dbraw/zinc/10/81/79/277108179.db2.gz ADZQRIGPGXZFNG-RDBSUJKOSA-N 1 0 279.405 3.054 10 0 CGAERO CC(C)(C)OC(=O)N1CCCC[C@@H]1C1CCC([NH3+])CC1 ZINC000216004089 277182838 /nfs/dbraw/zinc/18/28/38/277182838.db2.gz OCIPOYFLLMICHV-JXQTWKCFSA-N 1 0 282.428 3.294 10 0 CGAERO CC(C)(C)OC[C@H](O)C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000312803366 277216830 /nfs/dbraw/zinc/21/68/30/277216830.db2.gz RPBOXRFATKJVOL-HUUCEWRRSA-N 1 0 283.456 3.255 10 0 CGAERO CN1c2ccccc2[C@@H]([NH2+]CC2CCCCC2)CC1=O ZINC000037255331 277217728 /nfs/dbraw/zinc/21/77/28/277217728.db2.gz AUUHJYNOCCJXIW-HNNXBMFYSA-N 1 0 272.392 3.264 10 0 CGAERO COC(C[NH2+]Cc1sc2ccccc2c1Cl)OC ZINC000037977131 277461237 /nfs/dbraw/zinc/46/12/37/277461237.db2.gz JOCLMWOZPQMAMF-UHFFFAOYSA-N 1 0 285.796 3.263 10 0 CGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1nnc2n1CCCC2 ZINC000193852322 277796272 /nfs/dbraw/zinc/79/62/72/277796272.db2.gz YDAOVZKAQOYNOX-QLFBSQMISA-N 1 0 290.455 3.165 10 0 CGAERO C[S@](=O)C1(C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)CCC1 ZINC000393703678 288000391 /nfs/dbraw/zinc/00/03/91/288000391.db2.gz URTTXAAIQGDJSI-LPMFXHHGSA-N 1 0 285.497 3.482 10 0 CGAERO CSc1ccc([C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000394047309 288001524 /nfs/dbraw/zinc/00/15/24/288001524.db2.gz MXWNLGBVPSJNEK-DVOMOZLQSA-N 1 0 278.465 3.386 10 0 CGAERO C[C@H](N[C@H]1CCC[NH2+][C@H]1C)c1cccc(Cl)c1 ZINC000396673362 288015340 /nfs/dbraw/zinc/01/53/40/288015340.db2.gz RPGWOPBTTIAGLC-MJVIPROJSA-N 1 0 252.789 3.131 10 0 CGAERO CC1(C)CCCC[C@@H]1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000229414597 278204739 /nfs/dbraw/zinc/20/47/39/278204739.db2.gz YACHLBACCIEPJX-AWEZNQCLSA-N 1 0 280.456 3.371 10 0 CGAERO CC1(C)CCC[C@H](C(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000178854943 278237961 /nfs/dbraw/zinc/23/79/61/278237961.db2.gz JUFJMIYDMKSEGM-HNNXBMFYSA-N 1 0 292.467 3.290 10 0 CGAERO C[C@H]([NH2+]CC(C)(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400448343 278255393 /nfs/dbraw/zinc/25/53/93/278255393.db2.gz QFLHKYOCNXLICU-STQMWFEESA-N 1 0 284.444 3.268 10 0 CGAERO C[C@H]([NH2+][C@H]1CC(C)(C)Oc2ccccc21)[C@@H]1CCCO1 ZINC000220567029 278280185 /nfs/dbraw/zinc/28/01/85/278280185.db2.gz OKYTXGIDUUEEGO-QEJZJMRPSA-N 1 0 275.392 3.446 10 0 CGAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1ccc(F)cc1Cl ZINC000251566759 278281099 /nfs/dbraw/zinc/28/10/99/278281099.db2.gz TXABDRBGGWTXFB-QCZZGDTMSA-N 1 0 271.763 3.433 10 0 CGAERO C[C@@H]([NH2+][C@@H]1CC(C)(C)Oc2ccccc21)c1ccnn1C ZINC000192960309 278367756 /nfs/dbraw/zinc/36/77/56/278367756.db2.gz OCBNBWSQWIEXJP-TZMCWYRMSA-N 1 0 285.391 3.373 10 0 CGAERO CC1(C)C[C@@H]([NH2+][C@@H]2CCOc3ccccc32)C(C)(C)O1 ZINC000094423473 278369942 /nfs/dbraw/zinc/36/99/42/278369942.db2.gz VPBFYYLBVKTJNI-UKRRQHHQSA-N 1 0 275.392 3.446 10 0 CGAERO O[C@@H]1CC[C@H]2C[N@H+](CCSc3ccc(F)cc3)C[C@@H]2C1 ZINC000398984235 288048980 /nfs/dbraw/zinc/04/89/80/288048980.db2.gz DWTPVFQTITZRKQ-KCQAQPDRSA-N 1 0 295.423 3.011 10 0 CGAERO CC(C)[C@H](C(=O)N[C@@H](C)c1ccccc1Cl)[C@@H](C)[NH3+] ZINC000399732022 288053970 /nfs/dbraw/zinc/05/39/70/288053970.db2.gz MHHRRKUSHYJPDZ-SUNKGSAMSA-N 1 0 282.815 3.137 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CCCc2occc21 ZINC000123972641 279133891 /nfs/dbraw/zinc/13/38/91/279133891.db2.gz VGGJTPNQQGOVSV-HIFRSBDPSA-N 1 0 264.413 3.223 10 0 CGAERO CCN1CCC[C@@H]([NH2+][C@@H]2CCCOc3cc(C)ccc32)C1 ZINC000133011437 279295486 /nfs/dbraw/zinc/29/54/86/279295486.db2.gz YHQQHSJRXAIWDA-NVXWUHKLSA-N 1 0 288.435 3.283 10 0 CGAERO CC(C)[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccccc1Cl ZINC000091344173 279913708 /nfs/dbraw/zinc/91/37/08/279913708.db2.gz KSFPZQUPOSJRBZ-BLLLJJGKSA-N 1 0 294.826 3.248 10 0 CGAERO Cc1ccc(C[NH2+][C@H]2CCOc3ccccc32)cn1 ZINC000062050954 280833593 /nfs/dbraw/zinc/83/35/93/280833593.db2.gz ZVZHNMZTUAJSCM-HNNXBMFYSA-N 1 0 254.333 3.003 10 0 CGAERO C[C@@H]1OCC[C@@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000350095745 288892453 /nfs/dbraw/zinc/89/24/53/288892453.db2.gz JNBBSRZABFUGJP-XKGSQUFQSA-N 1 0 265.319 3.122 10 0 CGAERO CN(C(=O)[C@H]1CCC[C@H]([NH3+])C1)c1ccc(C(C)(C)C)cc1 ZINC000237079532 288909274 /nfs/dbraw/zinc/90/92/74/288909274.db2.gz OBYLFBRQIBDFKX-ZFWWWQNUSA-N 1 0 288.435 3.464 10 0 CGAERO COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)cc1 ZINC000247058870 295237961 /nfs/dbraw/zinc/23/79/61/295237961.db2.gz MKVRKIMLVUNLPB-KKBVYLPWSA-N 1 0 275.392 3.303 10 0 CGAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccccc1Cl ZINC000364240054 300307617 /nfs/dbraw/zinc/30/76/17/300307617.db2.gz ATIRQRYSNZDDCH-QWHCGFSZSA-N 1 0 292.810 3.039 10 0 CGAERO Cc1ccc([C@H](C[NH2+][C@@H](C)C(C)C)N2CCOCC2)s1 ZINC000180659465 301798712 /nfs/dbraw/zinc/79/87/12/301798712.db2.gz KYTJWNXMQUKQSN-GJZGRUSLSA-N 1 0 296.480 3.064 10 0 CGAERO Cc1ccccc1[C@@H]([NH2+]CC[C@H](C)O)c1ccccc1 ZINC000093248962 302135673 /nfs/dbraw/zinc/13/56/73/302135673.db2.gz KSWUICYGJZOFKC-YJBOKZPZSA-N 1 0 269.388 3.445 10 0 CGAERO Cc1cnn(CC[NH2+][C@H]2C[C@@H](C)c3c2cccc3C)c1 ZINC000154300590 321739268 /nfs/dbraw/zinc/73/92/68/321739268.db2.gz NTWMJFIFZYNLQU-ZBFHGGJFSA-N 1 0 269.392 3.338 10 0 CGAERO CCC[C@@H](C(=O)NC[C@@H](C)Sc1ccccc1)[NH+](C)C ZINC000162333664 321881709 /nfs/dbraw/zinc/88/17/09/321881709.db2.gz ZCCFRVRCYYIAQX-HIFRSBDPSA-N 1 0 294.464 3.014 10 0 CGAERO CC(C)(C)[C@H](O)C[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000572834404 322356763 /nfs/dbraw/zinc/35/67/63/322356763.db2.gz INQPXKDAGUHYQM-QJPTWQEYSA-N 1 0 281.362 3.352 10 0 CGAERO [NH3+]C[C@H](c1ccccc1Br)C1(CO)CCCC1 ZINC000536952300 330382440 /nfs/dbraw/zinc/38/24/40/330382440.db2.gz CLFXAYMQCRRKBJ-GFCCVEGCSA-N 1 0 298.224 3.044 10 0 CGAERO Cc1cccc([C@@H]([NH3+])C(C)(C)C(=O)OC(C)(C)C)c1 ZINC000536956937 330383339 /nfs/dbraw/zinc/38/33/39/330383339.db2.gz AURSZCQWBPWYBU-CYBMUJFWSA-N 1 0 263.381 3.363 10 0 CGAERO CN(C)c1cccc([C@@H]([NH3+])C(C)(C)C(=O)OC(C)(C)C)c1 ZINC000536958920 330383854 /nfs/dbraw/zinc/38/38/54/330383854.db2.gz LPRSRDKMTMOPBA-CQSZACIVSA-N 1 0 292.423 3.120 10 0 CGAERO CC(C)c1nnc(CN(C)Cc2ccc(Cl)cc2)n1C ZINC000195018924 336042845 /nfs/dbraw/zinc/04/28/45/336042845.db2.gz WKQPQALCWFFFIR-UHFFFAOYSA-N 1 0 292.814 3.224 10 0 CGAERO CC(C)CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)C1CC1 ZINC000381012918 336044058 /nfs/dbraw/zinc/04/40/58/336044058.db2.gz SSVVBQATCSLYJG-OAGGEKHMSA-N 1 0 253.430 3.342 10 0 CGAERO [NH3+]C[C@@H]1CC[C@H](Nc2ccnc3cc(Cl)ccc32)C1 ZINC000382431651 336089242 /nfs/dbraw/zinc/08/92/42/336089242.db2.gz RDKBKEDLJVDBQZ-PWSUYJOCSA-N 1 0 275.783 3.428 10 0 CGAERO CC(C)[C@@H]1CN(Cc2c(F)cccc2Cl)CCC[NH2+]1 ZINC000062672667 519804489 /nfs/dbraw/zinc/80/44/89/519804489.db2.gz RXPJKNNZFRBCBD-HNNXBMFYSA-N 1 0 284.806 3.299 10 0 CGAERO CC(C)[C@H](C[NH+](C)C)Nc1ncc(Cl)cc1Cl ZINC000049218924 519814994 /nfs/dbraw/zinc/81/49/94/519814994.db2.gz NKAGTLAZRAYIBB-NSHDSACASA-N 1 0 276.211 3.387 10 0 CGAERO CCC[NH2+]C[C@H]1CCN(c2cccc(SC)c2)C1 ZINC000053010591 519936891 /nfs/dbraw/zinc/93/68/91/519936891.db2.gz PYBLFMCJXUPRJQ-CYBMUJFWSA-N 1 0 264.438 3.234 10 0 CGAERO CC[NH2+][C@@H](Cc1ccccc1Cl)C1CCOCC1 ZINC000061672873 520103199 /nfs/dbraw/zinc/10/31/99/520103199.db2.gz HMGVJAFXSIVLGI-HNNXBMFYSA-N 1 0 267.800 3.287 10 0 CGAERO CC[NH2+][C@@H](Cc1cccnc1)c1ccc(F)c(F)c1 ZINC000055237575 520105854 /nfs/dbraw/zinc/10/58/54/520105854.db2.gz TUECWSCBSXBYBT-HNNXBMFYSA-N 1 0 262.303 3.253 10 0 CGAERO CC[NH2+][C@@H]1CC(C)(C)Cc2nc(N3CCCC3)sc21 ZINC000054899952 520115950 /nfs/dbraw/zinc/11/59/50/520115950.db2.gz KWVQBPMABVRSTR-LLVKDONJSA-N 1 0 279.453 3.366 10 0 CGAERO CC[NH2+][C@H](C)CC(=O)Nc1c2ncsc2ccc1Cl ZINC000061270242 520167992 /nfs/dbraw/zinc/16/79/92/520167992.db2.gz LZUVWJDKSRAXAQ-MRVPVSSYSA-N 1 0 297.811 3.276 10 0 CGAERO CC[NH2+][C@H](CCCOC)c1ccc2ncccc2c1 ZINC000062802353 520184732 /nfs/dbraw/zinc/18/47/32/520184732.db2.gz UGULGQGQTBQEDE-OAHLLOKOSA-N 1 0 258.365 3.312 10 0 CGAERO CC[NH2+][C@H](Cc1cccc(Cl)c1)c1cncnc1 ZINC000052887066 520202513 /nfs/dbraw/zinc/20/25/13/520202513.db2.gz JXBMTJVFPWVYEB-CQSZACIVSA-N 1 0 261.756 3.023 10 0 CGAERO C[NH2+]Cc1sc(Cc2ccc(Cl)cc2)nc1C ZINC000052330077 522164576 /nfs/dbraw/zinc/16/45/76/522164576.db2.gz GNNIKIDKNBDXRI-UHFFFAOYSA-N 1 0 266.797 3.415 10 0 CGAERO C[NH2+][C@@H](C)c1cnc(N(C)c2ccc(F)cc2)s1 ZINC000054907602 522337585 /nfs/dbraw/zinc/33/75/85/522337585.db2.gz GQPPRJZPSCVKKF-VIFPVBQESA-N 1 0 265.357 3.331 10 0 CGAERO C[NH2+][C@@H](C)c1ccccc1Sc1cc(C)nn1C ZINC000052310278 522337606 /nfs/dbraw/zinc/33/76/06/522337606.db2.gz YEKZFEQOGCGKJJ-NSHDSACASA-N 1 0 261.394 3.160 10 0 CGAERO C[NH2+][C@H](C)c1cnc(-c2ccc(F)c(F)c2)nc1C ZINC000054962710 522452741 /nfs/dbraw/zinc/45/27/41/522452741.db2.gz ZLWCTYPOMNWYJN-MRVPVSSYSA-N 1 0 263.291 3.011 10 0 CGAERO Brc1ccccc1N1CC[C@H](C[NH2+]C2CC2)C1 ZINC000053012923 518224349 /nfs/dbraw/zinc/22/43/49/518224349.db2.gz WONZLTGONKSUME-LLVKDONJSA-N 1 0 295.224 3.027 10 0 CGAERO C/C=C/COc1ncc(Br)cc1C[NH2+]C(C)C ZINC000051521737 518517979 /nfs/dbraw/zinc/51/79/79/518517979.db2.gz SDMNAEBOLTVOLB-SNAWJCMRSA-N 1 0 299.212 3.297 10 0 CGAERO CC(C)(C)[NH2+]CCOc1c(F)c(F)c(F)c(F)c1F ZINC000048784392 518759454 /nfs/dbraw/zinc/75/94/54/518759454.db2.gz GPILIWVDMBRFCQ-UHFFFAOYSA-N 1 0 283.240 3.149 10 0 CGAERO CC(C)(C)[NH2+]Cc1nccn1Cc1cccc(Cl)c1 ZINC000051015515 518767745 /nfs/dbraw/zinc/76/77/45/518767745.db2.gz MKPRICQRAOZLRD-UHFFFAOYSA-N 1 0 277.799 3.473 10 0 CGAERO OC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000152320394 534394172 /nfs/dbraw/zinc/39/41/72/534394172.db2.gz NZSYMQFTHQGCRD-TZMCWYRMSA-N 1 0 298.224 3.090 10 0 CGAERO CC(C)C[C@H]1CN(Cc2ccc(F)cc2)CCC[NH2+]1 ZINC000062662090 519414843 /nfs/dbraw/zinc/41/48/43/519414843.db2.gz JWZQGEIRVCAUTC-INIZCTEOSA-N 1 0 264.388 3.036 10 0 CGAERO CC(C)C[N@H+](C)[C@H](CN)c1csc2ccccc21 ZINC000054464039 519709420 /nfs/dbraw/zinc/70/94/20/519709420.db2.gz DIMSUSSKVHVQNU-CQSZACIVSA-N 1 0 262.422 3.489 10 0 CGAERO CC(C)Oc1cccc(C[NH2+]C[C@H]2CCCC[C@H]2O)c1 ZINC000085979073 519783235 /nfs/dbraw/zinc/78/32/35/519783235.db2.gz VFOXRRUGQBESTH-NVXWUHKLSA-N 1 0 277.408 3.115 10 0 CGAERO CC(C)[C@@H](C[NH2+]C1CC1)Oc1cccc(F)c1F ZINC000062654634 519794881 /nfs/dbraw/zinc/79/48/81/519794881.db2.gz WCCGYZMSRKQMHG-CYBMUJFWSA-N 1 0 255.308 3.120 10 0 CGAERO CC(C)[C@@H](NC(=O)[C@H](C)C1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000163979062 519797994 /nfs/dbraw/zinc/79/79/94/519797994.db2.gz DGDXFCHTJYIPES-IAQYHMDHSA-N 1 0 294.826 3.009 10 0 CGAERO CCC1CCC(NC(=[NH2+])NC2CCCCC2)CC1 ZINC000052048072 519853948 /nfs/dbraw/zinc/85/39/48/519853948.db2.gz RAYXKHWGCFTWDE-UHFFFAOYSA-N 1 0 251.418 3.402 10 0 CGAERO CCOCCC[NH2+]C[C@@H](C)Oc1cccc(C)c1C ZINC000053565349 519897098 /nfs/dbraw/zinc/89/70/98/519897098.db2.gz QOWGKBSDMUPDDW-CQSZACIVSA-N 1 0 265.397 3.087 10 0 CGAERO CCCC1CCN([C@@H]2CCCC[C@H]2[NH2+]CC)CC1 ZINC000050893598 519903251 /nfs/dbraw/zinc/90/32/51/519903251.db2.gz DGLZLMZJPVJKBR-HZPDHXFCSA-N 1 0 252.446 3.419 10 0 CGAERO CCC[NH2+]CC1(OCCOC(C)C)CCC(C)CC1 ZINC000050495369 519910915 /nfs/dbraw/zinc/91/09/15/519910915.db2.gz PHXPCJYDRALGAO-UHFFFAOYSA-N 1 0 271.445 3.377 10 0 CGAERO CCC[NH2+]C[C@@H](OCCOC)c1ccc(Cl)cc1 ZINC000050495513 519922090 /nfs/dbraw/zinc/92/20/90/519922090.db2.gz NHZXLXKOWGZLIG-CQSZACIVSA-N 1 0 271.788 3.044 10 0 CGAERO CC[NH2+]C[C@@H]1CCN(c2cc(Cl)cc(Cl)c2)C1 ZINC000053010725 519950550 /nfs/dbraw/zinc/95/05/50/519950550.db2.gz PDVRNMVJIDPAGK-JTQLQIEISA-N 1 0 273.207 3.429 10 0 CGAERO CC[NH2+]Cc1ccc(Cn2nc(C)c(Cl)c2C)cc1 ZINC000052573949 519998457 /nfs/dbraw/zinc/99/84/57/519998457.db2.gz CSEJPDMOKACKOS-UHFFFAOYSA-N 1 0 277.799 3.311 10 0 CGAERO CCC[NH2+][C@H]1CCN(C(=O)OCc2ccccc2)[C@@H](C)C1 ZINC000073657095 520095156 /nfs/dbraw/zinc/09/51/56/520095156.db2.gz AFONKUWKDMDWAH-HOCLYGCPSA-N 1 0 290.407 3.176 10 0 CGAERO CC[NH2+][C@H](CCOCC(F)(F)F)C1CCCC1 ZINC000053830259 520191224 /nfs/dbraw/zinc/19/12/24/520191224.db2.gz OGGNTQMABYXFEG-LLVKDONJSA-N 1 0 253.308 3.124 10 0 CGAERO CC[NH2+][C@H](Cc1cnn(CC)c1)c1ccccc1C ZINC000050542802 520204020 /nfs/dbraw/zinc/20/40/20/520204020.db2.gz MCBWDGQYTKRUTI-MRXNPFEDSA-N 1 0 257.381 3.105 10 0 CGAERO CC[NH2+][C@H]1CCCCc2c(Cl)cc3c(c21)OCCO3 ZINC000054742031 520214274 /nfs/dbraw/zinc/21/42/74/520214274.db2.gz BYNOFSYQIKFVQP-LBPRGKRZSA-N 1 0 281.783 3.488 10 0 CGAERO CC1(C)CO[C@@H](c2ccccc2)C[N@@H+]1CCc1ccccn1 ZINC000102949955 520513102 /nfs/dbraw/zinc/51/31/02/520513102.db2.gz CJQJDQJBBZPZPH-GOSISDBHSA-N 1 0 296.414 3.476 10 0 CGAERO CCC[C@@H](C)N(C)c1nc(CC)c(C[NH2+]C)s1 ZINC000054997728 520647594 /nfs/dbraw/zinc/64/75/94/520647594.db2.gz FPIVHZUATDKHPX-SNVBAGLBSA-N 1 0 255.431 3.050 10 0 CGAERO CCC[C@H](NC(=O)[C@](C)([NH3+])CCC)c1cccs1 ZINC000049546940 521141169 /nfs/dbraw/zinc/14/11/69/521141169.db2.gz KSZLJYQBEUNXRV-SMDDNHRTSA-N 1 0 268.426 3.223 10 0 CGAERO CCC(C)(C)[NH2+]C[C@H](C)n1ccc(C(F)(F)F)n1 ZINC000053533633 521353003 /nfs/dbraw/zinc/35/30/03/521353003.db2.gz WQSGIWMJXDYHBQ-VIFPVBQESA-N 1 0 263.307 3.241 10 0 CGAERO CC[N@H+]([C@@H](CN)CCc1ccccc1)C1CCCC1 ZINC000061624626 521471962 /nfs/dbraw/zinc/47/19/62/521471962.db2.gz UFONFTHIUBCORJ-QGZVFWFLSA-N 1 0 260.425 3.211 10 0 CGAERO CCN([C@H](C[NH2+]CC(C)C)c1ccccc1)C1CC1 ZINC000052452326 521477531 /nfs/dbraw/zinc/47/75/31/521477531.db2.gz NGVWMJGNVQCSHZ-QGZVFWFLSA-N 1 0 260.425 3.458 10 0 CGAERO CCC(CC)CN(CC)C(=O)[C@@H]1CCC[C@@H]([NH3+])[C@@H]1C ZINC000055128875 521517261 /nfs/dbraw/zinc/51/72/61/521517261.db2.gz FYGQCOPFZJFVBM-BPLDGKMQSA-N 1 0 268.445 3.035 10 0 CGAERO CCC(CC)N(C)c1cc(C[NH3+])c2ccccc2n1 ZINC000051396910 521543352 /nfs/dbraw/zinc/54/33/52/521543352.db2.gz LRKQAHGQGCHYHP-UHFFFAOYSA-N 1 0 257.381 3.318 10 0 CGAERO CCCN(CC(F)(F)F)c1nc(C)c([C@@H](C)[NH3+])s1 ZINC000054896585 521586947 /nfs/dbraw/zinc/58/69/47/521586947.db2.gz MRBMPUAXCRWHTD-SSDOTTSWSA-N 1 0 281.347 3.250 10 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CGAERO CCn1cc([C@@H](Cc2ccc(F)cc2Cl)[NH2+]C)cn1 ZINC000062608076 523464525 /nfs/dbraw/zinc/46/45/25/523464525.db2.gz UHNLLBPAHBUVGE-CQSZACIVSA-N 1 0 281.762 3.199 10 0 CGAERO CCn1cc([C@H]([NH3+])c2cccc3ccccc32)cn1 ZINC000054438921 523479555 /nfs/dbraw/zinc/47/95/55/523479555.db2.gz GVBHJTTYVFWGNM-INIZCTEOSA-N 1 0 251.333 3.104 10 0 CGAERO CC[C@@](C)(O)C[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000087013428 523677228 /nfs/dbraw/zinc/67/72/28/523677228.db2.gz BGGMTUPYGZLJQV-JKSUJKDBSA-N 1 0 259.349 3.120 10 0 CGAERO CN(C(=O)C[C@@H]1CCC[C@@H]([NH3+])C1)C1CCCCCC1 ZINC000055130155 523843595 /nfs/dbraw/zinc/84/35/95/523843595.db2.gz KGUZHVSSZLFMTC-ZIAGYGMSSA-N 1 0 266.429 3.075 10 0 CGAERO CC[C@H](C)N(C)c1nc(C)c(C[NH2+]C(C)C)s1 ZINC000054996741 523924582 /nfs/dbraw/zinc/92/45/82/523924582.db2.gz BACGXZNLUCVJGM-JTQLQIEISA-N 1 0 255.431 3.184 10 0 CGAERO CC[C@H](C)N(CC)c1ccccc1C[NH2+]CCOC ZINC000062735463 523936132 /nfs/dbraw/zinc/93/61/32/523936132.db2.gz XRPGKRJVCVOLAX-AWEZNQCLSA-N 1 0 264.413 3.047 10 0 CGAERO COCC[NH2+]C[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000054598639 523941831 /nfs/dbraw/zinc/94/18/31/523941831.db2.gz IIHXOVYOLAMUAB-CMPLNLGQSA-N 1 0 273.298 3.045 10 0 CGAERO CCc1cccc(C)c1N1CC[C@@H](C[NH2+]C(C)C)C1 ZINC000053010566 524062030 /nfs/dbraw/zinc/06/20/30/524062030.db2.gz SFIVJUFWNXBWLF-HNNXBMFYSA-N 1 0 260.425 3.382 10 0 CGAERO C[C@H](CCc1ccco1)n1c(N)[nH+]c2ccccc21 ZINC000049569450 524261593 /nfs/dbraw/zinc/26/15/93/524261593.db2.gz BKSCANAAXQPSLT-LLVKDONJSA-N 1 0 255.321 3.405 10 0 CGAERO C[C@@H](C[NH+]1CCCCC1)Nc1c(N)cccc1Cl ZINC000049500922 524607278 /nfs/dbraw/zinc/60/72/78/524607278.db2.gz KEKXKNBXNFWVMZ-NSHDSACASA-N 1 0 267.804 3.209 10 0 CGAERO C[C@H]1CN(c2cc(C(F)(F)F)ccc2F)CC[C@@H]1[NH3+] ZINC000062657083 524665887 /nfs/dbraw/zinc/66/58/87/524665887.db2.gz LADYGKITIXGAAK-KWQFWETISA-N 1 0 276.277 3.018 10 0 CGAERO C[C@H]([NH3+])[C@@H](N1CCC2(CCCCC2)CC1)C(F)(F)F ZINC000061818119 524836970 /nfs/dbraw/zinc/83/69/70/524836970.db2.gz XBEGXBBXRMEVAG-NWDGAFQWSA-N 1 0 278.362 3.311 10 0 CGAERO Cc1ccc(O)c(C[NH2+]CC(C)(C)c2ccccc2)n1 ZINC000103342005 525345935 /nfs/dbraw/zinc/34/59/35/525345935.db2.gz ONINBWCQCIVPLK-UHFFFAOYSA-N 1 0 270.376 3.163 10 0 CGAERO COc1ccc([C@H]([NH3+])Cc2ccc(F)cc2F)cc1 ZINC000050885856 525364456 /nfs/dbraw/zinc/36/44/56/525364456.db2.gz UGBBLBNIWPXGMJ-OAHLLOKOSA-N 1 0 263.287 3.216 10 0 CGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)s1 ZINC000049160132 525939591 /nfs/dbraw/zinc/93/95/91/525939591.db2.gz UZBWAMIUUVTIMQ-AUZPSNTRSA-N 1 0 266.454 3.436 10 0 CGAERO Cc1ccc([C@H](C[NH3+])Oc2cc(F)cc(F)c2)s1 ZINC000054932311 525952521 /nfs/dbraw/zinc/95/25/21/525952521.db2.gz JKCJFRDHRQULSU-LBPRGKRZSA-N 1 0 269.316 3.414 10 0 CGAERO Cc1ccc(C(N)=[NH2+])c(S[C@H]2CCC[C@H](C)C2)n1 ZINC000054691443 526012891 /nfs/dbraw/zinc/01/28/91/526012891.db2.gz LOQQTYGSLVTBKY-ONGXEEELSA-N 1 0 263.410 3.345 10 0 CGAERO Cc1ccc2c(c1)CCCN2[C@H](C)C[NH2+]CC(C)C ZINC000052422990 526148399 /nfs/dbraw/zinc/14/83/99/526148399.db2.gz RJVQXMBFCKVHIL-OAHLLOKOSA-N 1 0 260.425 3.382 10 0 CGAERO Fc1ccc(C(F)(F)F)cc1N[C@@H]1CCC[NH2+]C1 ZINC000062655866 526326629 /nfs/dbraw/zinc/32/66/29/526326629.db2.gz MDVCWUHTXNWBAP-SECBINFHSA-N 1 0 262.250 3.008 10 0 CGAERO c1ccc(C[C@@H]2C[N@@H+](C3CCCCC3)CCCN2)cc1 ZINC000062666579 526477248 /nfs/dbraw/zinc/47/72/48/526477248.db2.gz UWNYPZKLAHSMET-QGZVFWFLSA-N 1 0 272.436 3.226 10 0 CGAERO Cc1nc(-c2ccccc2)nc(C)c1C[NH2+]C1CC1 ZINC000054854373 526596239 /nfs/dbraw/zinc/59/62/39/526596239.db2.gz QGZZIKMGZSOPQG-UHFFFAOYSA-N 1 0 253.349 3.012 10 0 CGAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CC1(CCO)CC1 ZINC000157448424 526648298 /nfs/dbraw/zinc/64/82/98/526648298.db2.gz WIMXKBMAWWRADF-KGLIPLIRSA-N 1 0 253.430 3.344 10 0 CGAERO Cc1nc(N(C)Cc2ccc(F)cc2)sc1[C@@H](C)[NH3+] ZINC000054898832 526950782 /nfs/dbraw/zinc/95/07/82/526950782.db2.gz ZUZSPUHGAIWHEY-SECBINFHSA-N 1 0 279.384 3.247 10 0 CGAERO Cc1nc(N(C)c2cccc(F)c2)sc1[C@H](C)[NH3+] ZINC000054897720 526953203 /nfs/dbraw/zinc/95/32/03/526953203.db2.gz GGOCPRIUNHPBCE-QMMMGPOBSA-N 1 0 265.357 3.378 10 0 CGAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2c1cc(Cl)ccc1F ZINC000054601987 527146095 /nfs/dbraw/zinc/14/60/95/527146095.db2.gz YJSKKTOGYWUVCZ-YOGCLGLASA-N 1 0 268.763 3.328 10 0 CGAERO [NH3+]C[C@H](OC1CCC1)c1cc(Br)cs1 ZINC000050519446 527228525 /nfs/dbraw/zinc/22/85/25/527228525.db2.gz SGAKRVXCBLLTHG-VIFPVBQESA-N 1 0 276.199 3.080 10 0 CGAERO NNc1[nH+]cccc1CSc1nc2ccccc2s1 ZINC000052730835 527288794 /nfs/dbraw/zinc/28/87/94/527288794.db2.gz ODFDXLJKLNHCSM-UHFFFAOYSA-N 1 0 288.401 3.269 10 0 CGAERO [NH3+][C@@H](Cc1ccc(Cl)cc1)c1cncc(F)c1 ZINC000049576213 527334419 /nfs/dbraw/zinc/33/44/19/527334419.db2.gz JWNZQBHDUIROHC-ZDUSSCGKSA-N 1 0 250.704 3.117 10 0 CGAERO Cc1nccn1-c1ccc(C[NH2+]CC(C)C)cc1C ZINC000062738612 527374816 /nfs/dbraw/zinc/37/48/16/527374816.db2.gz JNXRCOINKNFFMQ-UHFFFAOYSA-N 1 0 257.381 3.235 10 0 CGAERO [NH3+][C@@H]1c2ccccc2C[C@H]1Cc1ccc(F)cc1F ZINC000050885292 527377669 /nfs/dbraw/zinc/37/76/69/527377669.db2.gz GNYNFSUQERHJEQ-LRDDRELGSA-N 1 0 259.299 3.380 10 0 CGAERO [NH3+][C@H](Cc1ccccc1Br)c1ccco1 ZINC000054446339 527389557 /nfs/dbraw/zinc/38/95/57/527389557.db2.gz OMYLNIXWODJRBR-LLVKDONJSA-N 1 0 266.138 3.285 10 0 CGAERO [NH3+][C@]1(c2cncnc2)CCCC[C@H]1C1CCCCC1 ZINC000052887641 527421754 /nfs/dbraw/zinc/42/17/54/527421754.db2.gz CQNIFDBBCNWAOV-HOTGVXAUSA-N 1 0 259.397 3.401 10 0 CGAERO FC(F)(F)Oc1ccccc1[C@H]1C[C@@H]1C[NH2+]C1CC1 ZINC000054595675 527676976 /nfs/dbraw/zinc/67/69/76/527676976.db2.gz PUVJQSWMMYEELC-SKDRFNHKSA-N 1 0 271.282 3.441 10 0 CGAERO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1C ZINC000148492904 528058454 /nfs/dbraw/zinc/05/84/54/528058454.db2.gz NNUVVDRXJOJFSX-RRFJBIMHSA-N 1 0 276.424 3.339 10 0 CGAERO CCOC(=O)CCC[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000083924026 528711943 /nfs/dbraw/zinc/71/19/43/528711943.db2.gz PTVRNGLGQOREOK-AWEZNQCLSA-N 1 0 263.381 3.297 10 0 CGAERO CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171705943 529182357 /nfs/dbraw/zinc/18/23/57/529182357.db2.gz ARHRNDWGFAADPW-JKSUJKDBSA-N 1 0 270.380 3.066 10 0 CGAERO CC[C@H](C)[C@@H](C)N(C(=O)N[C@@H]1CCC[N@H+](CC)C1)C1CC1 ZINC000175361820 529202059 /nfs/dbraw/zinc/20/20/59/529202059.db2.gz JUWQYLGFSROYIX-RRFJBIMHSA-N 1 0 295.471 3.079 10 0 CGAERO CC[C@@H]([NH2+]C[C@@H](C)N1CCOCC1)c1ccc(Cl)cc1 ZINC000123534599 535804322 /nfs/dbraw/zinc/80/43/22/535804322.db2.gz YCMCOPBANQXLSO-CZUORRHYSA-N 1 0 296.842 3.101 10 0 CGAERO CCCn1ccc2cc(NC(=O)[C@@H]3CCC[C@@H]3C[NH3+])ccc21 ZINC000261625901 572344495 /nfs/dbraw/zinc/34/44/95/572344495.db2.gz BGOSKPWIVAJGKH-GDBMZVCRSA-N 1 0 299.418 3.365 10 0 CGAERO CCC(C)(C)[C@H]1CC=C([C@@](O)(C[NH3+])C(F)(F)F)CC1 ZINC000675052185 572549919 /nfs/dbraw/zinc/54/99/19/572549919.db2.gz AEPFIVFDMYWAHU-GWCFXTLKSA-N 1 0 279.346 3.401 10 0 CGAERO Cc1ccc(C[NH3+])cc1-c1cncc(OC(C)C)c1 ZINC000097919066 617718517 /nfs/dbraw/zinc/71/85/17/617718517.db2.gz IITKDXRSCMXNGL-UHFFFAOYSA-N 1 0 256.349 3.303 10 0 CGAERO CC(C)Oc1ccc(C2(C[NH3+])CC(F)(F)C2)cc1 ZINC000757191406 617839370 /nfs/dbraw/zinc/83/93/70/617839370.db2.gz OCYFXOALSQKHHX-UHFFFAOYSA-N 1 0 255.308 3.099 10 0 CGAERO CC(C)(C)OC(=O)N1CCC[C@]2(CCC[C@@H]2CC[NH3+])C1 ZINC000757196391 617842208 /nfs/dbraw/zinc/84/22/08/617842208.db2.gz XHXIULAVJZOSTQ-CZUORRHYSA-N 1 0 282.428 3.153 10 0 CGAERO CCCCc1cncc(SCC[NH2+]C2CC2)c1 ZINC000757209130 617844718 /nfs/dbraw/zinc/84/47/18/617844718.db2.gz FYFDRHXCXUUKJM-UHFFFAOYSA-N 1 0 250.411 3.268 10 0 CGAERO CC(C)(C)Cc1noc(CC[C@@H]([NH3+])c2ccccc2)n1 ZINC000068847780 617926909 /nfs/dbraw/zinc/92/69/09/617926909.db2.gz WKWOCQLPCFHYQD-CYBMUJFWSA-N 1 0 273.380 3.291 10 0 CGAERO CCOc1ccccc1[C@@H](C)[NH2+]CC(OCC)OCC ZINC000093446863 618195120 /nfs/dbraw/zinc/19/51/20/618195120.db2.gz CNHNPMNWNVHBOJ-CYBMUJFWSA-N 1 0 281.396 3.135 10 0 CGAERO CC[C@H]([NH2+][C@@H]1CCCN(CC)C1)c1ccc2c(c1)CCO2 ZINC000040502937 618199535 /nfs/dbraw/zinc/19/95/35/618199535.db2.gz DNNQXQHWZHWFFZ-SJORKVTESA-N 1 0 288.435 3.147 10 0 CGAERO CCCCCC(C)(C)C[NH2+]Cc1cnn(C)c1C ZINC000094985311 618419529 /nfs/dbraw/zinc/41/95/29/618419529.db2.gz FTSIFXJPAZTVGW-UHFFFAOYSA-N 1 0 251.418 3.425 10 0 CGAERO C[C@H](c1nc([C@H]2CC23CC3)no1)[C@H]([NH3+])c1ccccc1 ZINC000829329436 618703038 /nfs/dbraw/zinc/70/30/38/618703038.db2.gz HTBKMHLFDOXFBY-UHTWSYAYSA-N 1 0 269.348 3.141 10 0 CGAERO CC(C)OC(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000309703593 619048639 /nfs/dbraw/zinc/04/86/39/619048639.db2.gz GYKUAPOUDKQOHC-KRWDZBQOSA-N 1 0 290.407 3.033 10 0 CGAERO COC(C[NH2+][C@H](C)c1ccc(OCCC(C)C)cc1)OC ZINC000162339704 619071584 /nfs/dbraw/zinc/07/15/84/619071584.db2.gz JTHFTNVBWCUGAV-CQSZACIVSA-N 1 0 295.423 3.381 10 0 CGAERO C1CC(C(c2noc([C@H]3CCC[NH2+]C3)n2)C2CCC2)C1 ZINC000313008461 619161639 /nfs/dbraw/zinc/16/16/39/619161639.db2.gz VSORYIRYLABGJX-ZDUSSCGKSA-N 1 0 275.396 3.220 10 0 CGAERO Cc1cc(Cl)cc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)c1O ZINC000245640272 619215244 /nfs/dbraw/zinc/21/52/44/619215244.db2.gz DFHKNYTUESHWPU-IUODEOHRSA-N 1 0 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3.460 10 0 CGAERO CC[N@@H+]1CCC[C@@H](Nc2nccc3sccc32)C1 ZINC000040503186 344963043 /nfs/dbraw/zinc/96/30/43/344963043.db2.gz DRRYAYGUTIMEPJ-LLVKDONJSA-N 1 0 261.394 3.193 10 0 CGAERO C[C@@H](CCCl)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000034419907 344939073 /nfs/dbraw/zinc/93/90/73/344939073.db2.gz HAYVIRCKQRTVNC-LBPRGKRZSA-N 1 0 287.234 3.479 10 0 CGAERO [NH3+][C@H]1CCCOc2c(Br)cc(Cl)cc21 ZINC000036928682 344945781 /nfs/dbraw/zinc/94/57/81/344945781.db2.gz OGPYCGHNPUQYDW-VIFPVBQESA-N 1 0 276.561 3.275 10 0 CGAERO CCC(C)(C)C1CCC(NC(=O)[C@@H]([NH3+])CC(C)C)CC1 ZINC000037005731 344946493 /nfs/dbraw/zinc/94/64/93/344946493.db2.gz UMUQYXHBAGHLFT-NRXISQOPSA-N 1 0 282.472 3.471 10 0 CGAERO COc1ccc2ccccc2c1C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000037165449 344948166 /nfs/dbraw/zinc/94/81/66/344948166.db2.gz QHFSVTGYNBBINV-CABCVRRESA-N 1 0 285.387 3.242 10 0 CGAERO C[C@H]1Oc2c(c(Cl)c(Cl)cc2Cl)[C@@H]1[NH3+] ZINC000043633871 345002221 /nfs/dbraw/zinc/00/22/21/345002221.db2.gz FQFVIPZEDJQAKU-KQONEMSQSA-N 1 0 252.528 3.428 10 0 CGAERO FC(F)(F)c1ccc(COC[C@H]2CCC[NH2+]C2)cc1 ZINC000051815617 345093311 /nfs/dbraw/zinc/09/33/11/345093311.db2.gz MDIZQEKHXNROST-LBPRGKRZSA-N 1 0 273.298 3.222 10 0 CGAERO C[NH2+]CC(C)(C)Cc1cccc(Br)c1 ZINC000054637851 345137772 /nfs/dbraw/zinc/13/77/72/345137772.db2.gz SAPKIWVDTLJRHP-UHFFFAOYSA-N 1 0 256.187 3.237 10 0 CGAERO C[C@@H]([NH3+])c1ccc(OCC(F)(F)F)c(Br)c1 ZINC000061698708 345231795 /nfs/dbraw/zinc/23/17/95/345231795.db2.gz ODWKVJHNUPJCTA-ZCFIWIBFSA-N 1 0 298.102 3.410 10 0 CGAERO Cc1cc2ccccc2nc1N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000063106346 345243045 /nfs/dbraw/zinc/24/30/45/345243045.db2.gz LOEITBUHXNGOEC-UKRRQHHQSA-N 1 0 269.392 3.343 10 0 CGAERO CC(C)(C)c1ncc(C[NH2+]CC[C@@H]2CCCO2)s1 ZINC000059180950 345206643 /nfs/dbraw/zinc/20/66/43/345206643.db2.gz YSVJVQKZUSZUCO-NSHDSACASA-N 1 0 268.426 3.099 10 0 CGAERO COc1ncccc1C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000069392298 345379473 /nfs/dbraw/zinc/37/94/73/345379473.db2.gz LERIIEJSGKTKHZ-NWDGAFQWSA-N 1 0 288.313 3.301 10 0 CGAERO C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)CCO1 ZINC000070354249 345390340 /nfs/dbraw/zinc/39/03/40/345390340.db2.gz VKMIDHCCJYTCJB-WHOHXGKFSA-N 1 0 265.319 3.265 10 0 CGAERO Cc1ccc(NC(=O)N[C@@H](CC(C)C)C[NH+](C)C)s1 ZINC000075410001 345507511 /nfs/dbraw/zinc/50/75/11/345507511.db2.gz WMOHNSSOSIYYRZ-LBPRGKRZSA-N 1 0 283.441 3.154 10 0 CGAERO Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)C(C)C ZINC000078606766 345616037 /nfs/dbraw/zinc/61/60/37/345616037.db2.gz PYBMWFSOLLNXTP-VXGBXAGGSA-N 1 0 266.360 3.095 10 0 CGAERO COc1cccc(C2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000079026145 345628404 /nfs/dbraw/zinc/62/84/04/345628404.db2.gz UYMKVWIIAQEYEC-UHFFFAOYSA-N 1 0 297.398 3.179 10 0 CGAERO Cc1ccc([C@@H](C)NC(=O)CC[C@@H]2CCC[NH2+]C2)cc1F ZINC000094956589 345899238 /nfs/dbraw/zinc/89/92/38/345899238.db2.gz LOQFNXCNJVNEJD-KGLIPLIRSA-N 1 0 292.398 3.091 10 0 CGAERO C[C@@H]([NH2+][C@H]1CC1(C)C)c1ccc(Br)o1 ZINC000131686986 346066575 /nfs/dbraw/zinc/06/65/75/346066575.db2.gz SBQGDZAWUQAYEK-APPZFPTMSA-N 1 0 258.159 3.491 10 0 CGAERO C[C@H]([NH3+])c1cc(NC(=O)OC(C)(C)C)ccc1F ZINC000141194132 346107797 /nfs/dbraw/zinc/10/77/97/346107797.db2.gz PUNOFXOSVQQFSG-QMMMGPOBSA-N 1 0 254.305 3.192 10 0 CGAERO Nc1ccccc1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000144119132 346116918 /nfs/dbraw/zinc/11/69/18/346116918.db2.gz QIHPQIPATLKSLR-HNNXBMFYSA-N 1 0 252.361 3.258 10 0 CGAERO [NH3+]C[C@@H](CCOCc1ccccc1)c1cccc(F)c1 ZINC000145928348 346121753 /nfs/dbraw/zinc/12/17/53/346121753.db2.gz NNZFTPINGVKXLF-MRXNPFEDSA-N 1 0 273.351 3.475 10 0 CGAERO CC[NH+](CC)CCc1c[nH]c2cc(F)c(F)cc12 ZINC000147315259 346125568 /nfs/dbraw/zinc/12/55/68/346125568.db2.gz PPQCQYNGLIUHSV-UHFFFAOYSA-N 1 0 252.308 3.330 10 0 CGAERO O[C@H]1C[C@H](Cc2ccccc2)C[N@H+](Cc2ccccc2)C1 ZINC000147298126 346125915 /nfs/dbraw/zinc/12/59/15/346125915.db2.gz PKBSNRGRYVZYEC-OALUTQOASA-N 1 0 281.399 3.112 10 0 CGAERO [NH3+][C@@H]1CC[C@](F)(c2sccc2Br)C1 ZINC000158295572 346164463 /nfs/dbraw/zinc/16/44/63/346164463.db2.gz HVIIJSXVKPSTTN-HZGVNTEJSA-N 1 0 264.163 3.187 10 0 CGAERO C[C@@H]1C[C@@]1(C[NH3+])Sc1ccc(Br)cc1 ZINC000160986539 346173442 /nfs/dbraw/zinc/17/34/42/346173442.db2.gz QNEUMPACFGUCSR-KCJUWKMLSA-N 1 0 272.211 3.279 10 0 CGAERO CCc1cc2c(c(-c3ccccc3C)c1)O[C@@H](C[NH3+])C2 ZINC000167258096 346188114 /nfs/dbraw/zinc/18/81/14/346188114.db2.gz ZYSXDGHZSGRXHH-OAHLLOKOSA-N 1 0 267.372 3.487 10 0 CGAERO C[C@H]([NH3+])c1ncc(-c2cccc(Cl)c2Cl)cn1 ZINC000222607887 346299377 /nfs/dbraw/zinc/29/93/77/346299377.db2.gz HRFMMVUOKYYHHU-ZETCQYMHSA-N 1 0 268.147 3.470 10 0 CGAERO CCN1C(=O)C2=C3C(=CC=CC3C1=O)C(=N[N+]#N)C=C2 ZINC000223414986 346300450 /nfs/dbraw/zinc/30/04/50/346300450.db2.gz PLRPPRRYIDIPID-UHFFFAOYSA-N 1 0 266.260 3.398 10 0 CGAERO CC[C@@H]1[C@H]([NH3+])C[C@@H]1c1ccc(Br)cc1 ZINC000225054059 346303070 /nfs/dbraw/zinc/30/30/70/346303070.db2.gz WDNHHVNCVJLGRS-QJPTWQEYSA-N 1 0 254.171 3.290 10 0 CGAERO Fc1ccc(N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1F ZINC000225903140 346305880 /nfs/dbraw/zinc/30/58/80/346305880.db2.gz FXSNDHNNUXIPDK-XJKSGUPXSA-N 1 0 274.314 3.132 10 0 CGAERO C[NH2+]C1CC(c2ccc(F)cc2Br)C1 ZINC000234367805 346331422 /nfs/dbraw/zinc/33/14/22/346331422.db2.gz MXDYSIRKORGZLO-UHFFFAOYSA-N 1 0 258.134 3.054 10 0 CGAERO C[NH2+]C/C=C/c1cc(Br)ccc1Cl ZINC000234347736 346331756 /nfs/dbraw/zinc/33/17/56/346331756.db2.gz ZPWPZRAQHXOAAO-NSCUHMNNSA-N 1 0 260.562 3.335 10 0 CGAERO Cc1sc([C@@H]2C[C@@H]2[C@@H](C)[NH3+])cc1Br ZINC000227914136 346311673 /nfs/dbraw/zinc/31/16/73/346311673.db2.gz SLRSRJZCAWOLKW-LPBLVHEISA-N 1 0 260.200 3.270 10 0 CGAERO C[C@@H]1C[C@H](c2sccc2Br)[C@@H](C)[NH2+]1 ZINC000228022767 346312502 /nfs/dbraw/zinc/31/25/02/346312502.db2.gz OIARGSWEBDMESJ-PRJMDXOYSA-N 1 0 260.200 3.365 10 0 CGAERO Clc1sc([C@@H]2CC[NH2+]2)cc1Br ZINC000227984082 346312644 /nfs/dbraw/zinc/31/26/44/346312644.db2.gz VKTMODBOUGLFHC-YFKPBYRVSA-N 1 0 252.564 3.198 10 0 CGAERO CC(C)[C@H]([NH3+])c1ccc(F)cc1I ZINC000229296921 346317248 /nfs/dbraw/zinc/31/72/48/346317248.db2.gz QKIMXVQNROQICQ-JTQLQIEISA-N 1 0 293.123 3.086 10 0 CGAERO [NH3+]Cc1ccc(-c2cscc2Br)o1 ZINC000236227215 346339736 /nfs/dbraw/zinc/33/97/36/346339736.db2.gz BFWOPXFPFZMNIP-UHFFFAOYSA-N 1 0 258.140 3.229 10 0 CGAERO [NH3+]C[C@H]1C[C@H]1c1cc(Br)ccc1Cl ZINC000236211342 346339761 /nfs/dbraw/zinc/33/97/61/346339761.db2.gz RKWFOQZJPXDVEA-HTRCEHHLSA-N 1 0 260.562 3.165 10 0 CGAERO F[C@@H](c1sccc1Br)[C@@H]1CCC[NH2+]1 ZINC000236181543 346339978 /nfs/dbraw/zinc/33/99/78/346339978.db2.gz MMORUVLVSBTCSE-JGVFFNPUSA-N 1 0 264.163 3.273 10 0 CGAERO CC[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)C1 ZINC000248444186 346376024 /nfs/dbraw/zinc/37/60/24/346376024.db2.gz BJITVYWFEPIWAO-OWCLPIDISA-N 1 0 275.440 3.426 10 0 CGAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1sccc1Cl ZINC000248722925 346377901 /nfs/dbraw/zinc/37/79/01/346377901.db2.gz GVQFSXMHUYLTGC-QWRGUYRKSA-N 1 0 270.829 3.070 10 0 CGAERO COc1cccc2c(CCC[NH2+]C3CC3)c(C)[nH]c21 ZINC000098160040 185694410 /nfs/dbraw/zinc/69/44/10/185694410.db2.gz BNBLFTWLEFUHBB-UHFFFAOYSA-N 1 0 258.365 3.170 10 0 CGAERO [NH3+]C[C@H](F)c1c(Cl)cccc1Br ZINC000306262357 346452459 /nfs/dbraw/zinc/45/24/59/346452459.db2.gz XLVWGFMVGBFTPX-ZETCQYMHSA-N 1 0 252.514 3.072 10 0 CGAERO C[C@H]1C[NH+]=C(SCc2csc(Br)c2)N1 ZINC000306679012 346456709 /nfs/dbraw/zinc/45/67/09/346456709.db2.gz AUPKHGJEDKCRNL-LURJTMIESA-N 1 0 291.239 3.092 10 0 CGAERO CC(C)[C@H]1C[NH2+][C@H]1c1cscc1Br ZINC000306831155 346457864 /nfs/dbraw/zinc/45/78/64/346457864.db2.gz MEEDTXZCABRROO-GMSGAONNSA-N 1 0 260.200 3.427 10 0 CGAERO O[C@]1(C2=CCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000307257295 346460916 /nfs/dbraw/zinc/46/09/16/346460916.db2.gz IVWOOFWUVNSXKS-QGZVFWFLSA-N 1 0 257.377 3.124 10 0 CGAERO CCCn1nc(C)c(-c2ccc(CC[NH3+])cc2)c1C ZINC000381765214 346559448 /nfs/dbraw/zinc/55/94/48/346559448.db2.gz VIDBRYAAIGFWHE-UHFFFAOYSA-N 1 0 257.381 3.078 10 0 CGAERO O[C@@H](c1ccc(Cc2ccccc2)cc1)[C@@H]1CCC[NH2+]1 ZINC000085686506 179116030 /nfs/dbraw/zinc/11/60/30/179116030.db2.gz DEGVAGVLWUNLPJ-ROUUACIJSA-N 1 0 267.372 3.063 10 0 CGAERO [NH3+][C@@H](c1cnsc1)c1sccc1Br ZINC000404814301 346601657 /nfs/dbraw/zinc/60/16/57/346601657.db2.gz AVDYSCLVLDZREB-ZETCQYMHSA-N 1 0 275.196 3.015 10 0 CGAERO COc1ccc(C(F)(F)F)c(C[NH3+])c1C(F)(F)F ZINC000514264496 346636146 /nfs/dbraw/zinc/63/61/46/346636146.db2.gz IVZZCVSDEUCPFC-UHFFFAOYSA-N 1 0 273.176 3.192 10 0 CGAERO CC[NH+](CC)CCN(C(C)=O)c1ccc(N)c2ccccc21 ZINC000584590903 346685856 /nfs/dbraw/zinc/68/58/56/346685856.db2.gz PWARNGREYZSXDG-UHFFFAOYSA-N 1 0 299.418 3.117 10 0 CGAERO C[N@@H+]1CC[C@]23CCCC[C@H]2c2cc(O)ccc2C[C@H]13 ZINC000584602598 346689714 /nfs/dbraw/zinc/68/97/14/346689714.db2.gz OFKWFECOZWXSBS-YESZJQIVSA-N 1 0 257.377 3.296 10 0 CGAERO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)o1 ZINC000128465713 187372267 /nfs/dbraw/zinc/37/22/67/187372267.db2.gz XZDNLTFWAQZDEX-WWGRRREGSA-N 1 0 285.391 3.126 10 0 CGAERO Cc1cc(C)c(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1C ZINC000128485722 187373518 /nfs/dbraw/zinc/37/35/18/187373518.db2.gz MCVVASCQZRWEHH-KRWDZBQOSA-N 1 0 298.434 3.116 10 0 CGAERO CCC1CCC(N(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C2CC2)CC1 ZINC000261789134 282543986 /nfs/dbraw/zinc/54/39/86/282543986.db2.gz QADJJIVKESCCGC-CLKYRPBMSA-N 1 0 292.467 3.321 10 0 CGAERO CCCCn1c(C)[nH+]c(-c2ccccc2OC)c1N ZINC000103498986 185845358 /nfs/dbraw/zinc/84/53/58/185845358.db2.gz AVJISYCSBQZTCM-UHFFFAOYSA-N 1 0 259.353 3.249 10 0 CGAERO CC[NH2+][C@H](C)[C@H](c1nc(CCC(C)C)no1)C(C)C ZINC000104051610 185886126 /nfs/dbraw/zinc/88/61/26/185886126.db2.gz DLZAMZVOHDUXCD-TZMCWYRMSA-N 1 0 267.417 3.396 10 0 CGAERO C[NH2+][C@@H](C)[C@H](c1nc(Cc2cccs2)no1)C(C)C ZINC000104051523 185886373 /nfs/dbraw/zinc/88/63/73/185886373.db2.gz HZNPOSUFPLTKDO-GXFFZTMASA-N 1 0 279.409 3.069 10 0 CGAERO [NH3+][C@H]1CCC[C@@H]1c1nc2cc(Br)ccc2o1 ZINC000087049631 179388563 /nfs/dbraw/zinc/38/85/63/179388563.db2.gz MDKJEZJDUQCALN-IUCAKERBSA-N 1 0 281.153 3.185 10 0 CGAERO Cc1c(C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)cnn1C ZINC000339502061 215212669 /nfs/dbraw/zinc/21/26/69/215212669.db2.gz PGXQVHXPZNPYFM-DGCLKSJQSA-N 1 0 289.345 3.187 10 0 CGAERO [NH3+][C@H](c1ccc(F)cc1)[C@@H]1CCOc2ccccc21 ZINC000104201326 185929223 /nfs/dbraw/zinc/92/92/23/185929223.db2.gz UNFSVEMAHROMGX-GDBMZVCRSA-N 1 0 257.308 3.392 10 0 CGAERO [NH3+]Cc1c(OC(F)(F)F)cccc1C(F)(F)F ZINC000616580486 348835660 /nfs/dbraw/zinc/83/56/60/348835660.db2.gz WBNAFYXZSXVZQK-UHFFFAOYSA-N 1 0 259.149 3.063 10 0 CGAERO CNc1cccc([C@@H]2CCOCC[N@@H+]2C(C)(C)C)c1 ZINC000616597286 348840624 /nfs/dbraw/zinc/84/06/24/348840624.db2.gz CMVAXMCILRMVIJ-HNNXBMFYSA-N 1 0 262.397 3.290 10 0 CGAERO CC(C)[N@@H+]1CCOC[C@@H](c2ccc3ncccc3c2)C1 ZINC000616599490 348841798 /nfs/dbraw/zinc/84/17/98/348841798.db2.gz ZJLNHQXZDXOJFB-INIZCTEOSA-N 1 0 270.376 3.059 10 0 CGAERO OCCc1ccccc1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000616610275 348845072 /nfs/dbraw/zinc/84/50/72/348845072.db2.gz WKAHEDVSJDLBAN-SFHVURJKSA-N 1 0 281.399 3.211 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OBRHHPZZMPGZNZ-KGLIPLIRSA-N 1 0 252.402 3.215 10 0 CGAERO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccsc2)C12CCOCC2 ZINC000248623132 286402618 /nfs/dbraw/zinc/40/26/18/286402618.db2.gz BJALPUCSQRBZOD-VHDGCEQUSA-N 1 0 295.448 3.373 10 0 CGAERO CC[C@@H]1CC[C@@H]([NH2+]CC2(N(C)C)CCCCC2)C1 ZINC000080427180 287065236 /nfs/dbraw/zinc/06/52/36/287065236.db2.gz LFZDNFOLFDSLPC-HUUCEWRRSA-N 1 0 252.446 3.419 10 0 CGAERO CSCCC[NH+]1CCC(c2nc(C)cs2)CC1 ZINC000075678955 165102087 /nfs/dbraw/zinc/10/20/87/165102087.db2.gz QBXMUJHMIWIBMX-UHFFFAOYSA-N 1 0 270.467 3.384 10 0 CGAERO Cc1cc(NCCCC(=O)NC2CC2)c2ccccc2[nH+]1 ZINC000079926626 165150366 /nfs/dbraw/zinc/15/03/66/165150366.db2.gz WPUVJYWDKVADDJ-UHFFFAOYSA-N 1 0 283.375 3.014 10 0 CGAERO CCC(C)(C)C1CCC(NC(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089451546 165207750 /nfs/dbraw/zinc/20/77/50/165207750.db2.gz IEQQMURUFCXMTN-LBDPXKHJSA-N 1 0 294.483 3.473 10 0 CGAERO CC(C)(C)[C@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089463066 165207901 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CC[NH+](CC)CCCN1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000249062127 165787159 /nfs/dbraw/zinc/78/71/59/165787159.db2.gz PVADNBMVZYHJOZ-GDBMZVCRSA-N 1 0 296.480 3.242 10 0 CGAERO C[C@@H](NC(=O)CC[C@@H]1CCC[NH2+]1)c1ccc(Cl)s1 ZINC000261558767 165817604 /nfs/dbraw/zinc/81/76/04/165817604.db2.gz DIMSOSPOFSBEAX-ZJUUUORDSA-N 1 0 286.828 3.111 10 0 CGAERO CC1(C)CN(Cc2csc(C3CCCC3)n2)CC[C@H]1[NH3+] ZINC000261879722 165838882 /nfs/dbraw/zinc/83/88/82/165838882.db2.gz UMUAXHUXMVNUOG-CQSZACIVSA-N 1 0 293.480 3.360 10 0 CGAERO CCC[C@@H](C(=O)NC[C@H](CC)c1ccccc1)[NH+](C)C ZINC000120520285 287183250 /nfs/dbraw/zinc/18/32/50/287183250.db2.gz GERSLCHLOWDNSN-HOCLYGCPSA-N 1 0 276.424 3.027 10 0 CGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCCCC(F)(F)F ZINC000149949746 287224565 /nfs/dbraw/zinc/22/45/65/287224565.db2.gz QQABPPGUHIWKIR-CHWSQXEVSA-N 1 0 278.362 3.278 10 0 CGAERO C[C@@H]1CC(=[NH2+])Nc2ccccc2N1Cc1ccccc1 ZINC000005582930 170116291 /nfs/dbraw/zinc/11/62/91/170116291.db2.gz QLFCBNMLXSNGMW-CYBMUJFWSA-N 1 0 265.360 3.474 10 0 CGAERO [NH3+]CCCc1c2ccccc2[nH]c1-c1cccnc1 ZINC000008436570 170336560 /nfs/dbraw/zinc/33/65/60/170336560.db2.gz PGHNCWIMUXPEKB-UHFFFAOYSA-N 1 0 251.333 3.121 10 0 CGAERO CC(C)CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000124720075 287236541 /nfs/dbraw/zinc/23/65/41/287236541.db2.gz ZVBOCGUWNBGVDJ-XHSDSOJGSA-N 1 0 253.430 3.438 10 0 CGAERO CCOc1ccccc1OCc1ccc(C[NH3+])cc1 ZINC000011945463 170460316 /nfs/dbraw/zinc/46/03/16/170460316.db2.gz FJQDJOLWRYTSHC-UHFFFAOYSA-N 1 0 257.333 3.123 10 0 CGAERO Cc1cc(C)c([C@H]([NH3+])COC[C@H]2CCCCO2)c(C)c1 ZINC000019407074 170787734 /nfs/dbraw/zinc/78/77/34/170787734.db2.gz OOTUDNDMUZXBLD-HZPDHXFCSA-N 1 0 277.408 3.197 10 0 CGAERO Cc1cccc(NC(=O)[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c1C ZINC000019518691 170824506 /nfs/dbraw/zinc/82/45/06/170824506.db2.gz YAXZJKSPHRKOLB-CWRNSKLLSA-N 1 0 272.392 3.163 10 0 CGAERO NC(=[NH2+])c1ccccc1CSc1ccc(F)cc1 ZINC000019848159 170897482 /nfs/dbraw/zinc/89/74/82/170897482.db2.gz HCVCKWCFZUTAIO-UHFFFAOYSA-N 1 0 260.337 3.402 10 0 CGAERO CCOc1ccccc1Oc1ccc(C(N)=[NH2+])cc1 ZINC000019866325 170899436 /nfs/dbraw/zinc/89/94/36/170899436.db2.gz IMTMVCMUXPNKES-UHFFFAOYSA-N 1 0 256.305 3.162 10 0 CGAERO CC(C)COCCC[NH2+][C@@H](C)c1ccc(O)cc1 ZINC000020147216 171033843 /nfs/dbraw/zinc/03/38/43/171033843.db2.gz VROIZTFYFHEOSM-ZDUSSCGKSA-N 1 0 251.370 3.106 10 0 CGAERO CN(Cc1ccc(Cl)cc1)[C@H](C[NH3+])c1ccco1 ZINC000020225257 171087447 /nfs/dbraw/zinc/08/74/47/171087447.db2.gz RGWINRJNODSUCL-CYBMUJFWSA-N 1 0 264.756 3.065 10 0 CGAERO CN(CCc1ccccc1)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000020225686 171088041 /nfs/dbraw/zinc/08/80/41/171088041.db2.gz MFAUPPKEGWDOOS-KRWDZBQOSA-N 1 0 272.367 3.000 10 0 CGAERO CN(Cc1ccccc1F)[C@H](C[NH3+])c1ccccc1F ZINC000020225601 171088355 /nfs/dbraw/zinc/08/83/55/171088355.db2.gz ZWZSKUVKVOYNQB-MRXNPFEDSA-N 1 0 276.330 3.097 10 0 CGAERO Cc1ccc([C@@H](CN)[N@H+](C)CCc2ccccc2)cc1 ZINC000020225581 171089085 /nfs/dbraw/zinc/08/90/85/171089085.db2.gz ABAGIUJVBBUKHF-GOSISDBHSA-N 1 0 268.404 3.169 10 0 CGAERO CN(Cc1cccc(Cl)c1)C1(C[NH3+])CCCCC1 ZINC000020226855 171092023 /nfs/dbraw/zinc/09/20/23/171092023.db2.gz TYSYRAUGUHACQU-UHFFFAOYSA-N 1 0 266.816 3.433 10 0 CGAERO CC(C)C(=O)N(CCC[NH3+])c1ccc(C(C)C)cc1 ZINC000020234002 171095135 /nfs/dbraw/zinc/09/51/35/171095135.db2.gz QXOPTQHQWNNDEP-UHFFFAOYSA-N 1 0 262.397 3.148 10 0 CGAERO C[C@H]([NH3+])c1ccccc1N(C)Cc1cccc(F)c1 ZINC000020266769 171123706 /nfs/dbraw/zinc/12/37/06/171123706.db2.gz SZECCGFHQRFHPZ-LBPRGKRZSA-N 1 0 258.340 3.482 10 0 CGAERO Cc1nn(C)c(Oc2cc(Cl)ccc2Cl)c1C[NH3+] ZINC000020470190 171211625 /nfs/dbraw/zinc/21/16/25/171211625.db2.gz XZBTUUQZRCMVEL-UHFFFAOYSA-N 1 0 286.162 3.286 10 0 CGAERO COc1ccc(F)cc1[C@@H]([NH3+])c1cc(C)ccc1C ZINC000020470459 171212525 /nfs/dbraw/zinc/21/25/25/171212525.db2.gz DICFOLGWKQXJEZ-INIZCTEOSA-N 1 0 259.324 3.499 10 0 CGAERO CCCCN(CCCC)C(=O)CCCCCC[NH3+] ZINC000020485548 171225007 /nfs/dbraw/zinc/22/50/07/171225007.db2.gz JXERDEMLTVZLFD-UHFFFAOYSA-N 1 0 256.434 3.324 10 0 CGAERO [NH3+]Cc1c(Cl)cccc1OCCc1ccccc1 ZINC000020517770 171233009 /nfs/dbraw/zinc/23/30/09/171233009.db2.gz VIGGMQOJNQJZLE-UHFFFAOYSA-N 1 0 261.752 3.420 10 0 CGAERO C[N@H+](CCC(N)=S)Cc1ccc(Cl)c(Cl)c1 ZINC000020521703 171234917 /nfs/dbraw/zinc/23/49/17/171234917.db2.gz OXZTXRCCDVXFFP-UHFFFAOYSA-N 1 0 277.220 3.101 10 0 CGAERO CC[NH2+]CCCOc1ccc(OC)cc1C(C)(C)C ZINC000020525376 171238085 /nfs/dbraw/zinc/23/80/85/171238085.db2.gz OACVJIIISFOGCM-UHFFFAOYSA-N 1 0 265.397 3.371 10 0 CGAERO C[C@H]1CCCC[C@]1(C[NH3+])N(C)Cc1cccc(F)c1 ZINC000020548047 171245369 /nfs/dbraw/zinc/24/53/69/171245369.db2.gz FIIYADSYLIPFNX-XJKSGUPXSA-N 1 0 264.388 3.165 10 0 CGAERO Cc1n[nH]c(CCC[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)n1 ZINC000020861672 171276533 /nfs/dbraw/zinc/27/65/33/171276533.db2.gz MITNTPQWIGQYGX-OAHLLOKOSA-N 1 0 288.370 3.022 10 0 CGAERO C[C@H]1CC(C)(C)C[C@](CN)([NH+]2CCCCCC2)C1 ZINC000021517737 171314207 /nfs/dbraw/zinc/31/42/07/171314207.db2.gz IAHWNDIHHORADU-GOEBONIOSA-N 1 0 252.446 3.406 10 0 CGAERO C[C@@H]([NH3+])c1ccccc1NC(=O)c1cccc(F)c1 ZINC000022164313 171365297 /nfs/dbraw/zinc/36/52/97/171365297.db2.gz XQOGWOZSRPXYOS-SNVBAGLBSA-N 1 0 258.296 3.098 10 0 CGAERO CC[N@H+](CCC(=O)Nc1ccccc1N)C1CCCCC1 ZINC000022168252 171366501 /nfs/dbraw/zinc/36/65/01/171366501.db2.gz KADDLYLWBFVOME-UHFFFAOYSA-N 1 0 289.423 3.252 10 0 CGAERO C[C@@H]1CN([C@@H](C[NH3+])c2ccc(C(C)(C)C)cc2)C[C@@H](C)O1 ZINC000022167998 171366841 /nfs/dbraw/zinc/36/68/41/171366841.db2.gz OXRVNGPFEPZKQN-CPUCHLNUSA-N 1 0 290.451 3.093 10 0 CGAERO COc1ccccc1NC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000022171753 171368198 /nfs/dbraw/zinc/36/81/98/171368198.db2.gz QNMFAWMSKZEMDW-NSHDSACASA-N 1 0 285.347 3.359 10 0 CGAERO CC[N@H+]([C@H](CN)c1cccs1)C1CCCCC1 ZINC000022173190 171368801 /nfs/dbraw/zinc/36/88/01/171368801.db2.gz PFJWTWBDBAFBGT-CYBMUJFWSA-N 1 0 252.427 3.403 10 0 CGAERO CC1CC[NH+]([C@@H]2CCCc3ccccc3[C@@H]2N)CC1 ZINC000022563021 171391433 /nfs/dbraw/zinc/39/14/33/171391433.db2.gz AHIAYAOJPJFILD-SJORKVTESA-N 1 0 258.409 3.123 10 0 CGAERO CC(=O)N1CCC([NH2+][C@@H](c2cccs2)C(C)C)CC1 ZINC000035017096 171934581 /nfs/dbraw/zinc/93/45/81/171934581.db2.gz QSKFOQULVHAQLZ-OAHLLOKOSA-N 1 0 280.437 3.046 10 0 CGAERO Cc1ccc(NC(=O)C[NH2+][C@H]2CCc3ccccc32)cc1 ZINC000035180534 172034141 /nfs/dbraw/zinc/03/41/41/172034141.db2.gz WUYZFHMKEBBXKB-KRWDZBQOSA-N 1 0 280.371 3.211 10 0 CGAERO CC(C)CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC000035221875 172064467 /nfs/dbraw/zinc/06/44/67/172064467.db2.gz UDPSRGCFKPPWAV-PBHICJAKSA-N 1 0 288.435 3.204 10 0 CGAERO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC000035221882 172064848 /nfs/dbraw/zinc/06/48/48/172064848.db2.gz UHAYBNAVCDTZLX-JJRVBVJISA-N 1 0 288.435 3.347 10 0 CGAERO CC(C)(C)[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000035234262 172073637 /nfs/dbraw/zinc/07/36/37/172073637.db2.gz UPANULGJFGTPTP-UHFFFAOYSA-N 1 0 286.169 3.066 10 0 CGAERO COc1cc(C[NH2+][C@H](C)Cc2cccs2)ccc1O ZINC000035253921 172083447 /nfs/dbraw/zinc/08/34/47/172083447.db2.gz SOHWNNGOKQZHBP-LLVKDONJSA-N 1 0 277.389 3.183 10 0 CGAERO CSCCC[NH2+][C@H]1CCCC[C@H]1C(F)(F)F ZINC000035258235 172089757 /nfs/dbraw/zinc/08/97/57/172089757.db2.gz GTTJDXFYSWCMMZ-ZJUUUORDSA-N 1 0 255.349 3.450 10 0 CGAERO Cc1cc([C@H]([NH3+])c2ccc3c(c2)C[C@@H](C)O3)c(C)o1 ZINC000035382588 172165095 /nfs/dbraw/zinc/16/50/95/172165095.db2.gz LXLKTUUWADMYCL-JDNHERCYSA-N 1 0 257.333 3.268 10 0 CGAERO C[NH2+][C@H](c1ccc(OC)c(Br)c1)[C@@H]1C[C@@H]1C ZINC000035455810 172207046 /nfs/dbraw/zinc/20/70/46/172207046.db2.gz QHEFXLLNNNDEIV-IYYTYJHQSA-N 1 0 284.197 3.374 10 0 CGAERO CC[NH2+][C@@H](c1ccc(Cl)s1)c1ccncc1 ZINC000035553092 172260085 /nfs/dbraw/zinc/26/00/85/172260085.db2.gz FTNPNKOVLRBEIF-GFCCVEGCSA-N 1 0 252.770 3.495 10 0 CGAERO CC[NH2+][C@H](c1ccc(C)o1)c1ccc(OC)c(F)c1 ZINC000035572032 172267982 /nfs/dbraw/zinc/26/79/82/172267982.db2.gz VSTWREQOXHOWFW-HNNXBMFYSA-N 1 0 263.312 3.435 10 0 CGAERO CCC[NH2+][C@H](c1c(F)cc(F)cc1F)[C@@H]1CCCO1 ZINC000035580910 172276584 /nfs/dbraw/zinc/27/65/84/172276584.db2.gz LYHPVRLRPOBUMX-JSGCOSHPSA-N 1 0 273.298 3.324 10 0 CGAERO Cc1ccc([C@@H]([NH2+][C@H](C)CO)c2ccccc2)c(C)c1 ZINC000035602765 172291134 /nfs/dbraw/zinc/29/11/34/172291134.db2.gz RESFRMGNNWUUJO-QAPCUYQASA-N 1 0 269.388 3.363 10 0 CGAERO CC[NH2+][C@H]1CCCOc2c(F)cc(Br)cc21 ZINC000035653858 172330502 /nfs/dbraw/zinc/33/05/02/172330502.db2.gz NKLAKZXRMAOMKQ-NSHDSACASA-N 1 0 288.160 3.411 10 0 CGAERO CN(Cc1cccs1)[C@@H](C[NH3+])c1c(F)cccc1F ZINC000035716973 172370773 /nfs/dbraw/zinc/37/07/73/172370773.db2.gz HIHWQMQELCWIQG-ZDUSSCGKSA-N 1 0 282.359 3.158 10 0 CGAERO Cc1ccccc1[C@H](C[NH3+])N(C)Cc1cccs1 ZINC000035716997 172371230 /nfs/dbraw/zinc/37/12/30/172371230.db2.gz MHPMKMGKDGTDBX-HNNXBMFYSA-N 1 0 260.406 3.188 10 0 CGAERO CC[C@H](C)SCCOc1ccc(CC[NH3+])cc1 ZINC000035722250 172377749 /nfs/dbraw/zinc/37/77/49/172377749.db2.gz AGOPHFCIMYFFIT-LBPRGKRZSA-N 1 0 253.411 3.098 10 0 CGAERO [NH3+]C[C@@H]1CCC[C@@H]1Sc1ccc(C(F)(F)F)cn1 ZINC000035723707 172378700 /nfs/dbraw/zinc/37/87/00/172378700.db2.gz IECVRLRSMKHDAM-WPRPVWTQSA-N 1 0 276.327 3.320 10 0 CGAERO [NH3+]C[C@H]1CCCC[C@H]1OCc1ccccc1Cl ZINC000035725666 172379847 /nfs/dbraw/zinc/37/98/47/172379847.db2.gz QCFGCSWEUFAZRQ-BXUZGUMPSA-N 1 0 253.773 3.374 10 0 CGAERO [NH3+]C[C@H]1CCCC[C@@H]1OCc1ccccc1Cl ZINC000035725668 172379945 /nfs/dbraw/zinc/37/99/45/172379945.db2.gz QCFGCSWEUFAZRQ-RISCZKNCSA-N 1 0 253.773 3.374 10 0 CGAERO C[C@H]1C[C@H]([NH3+])c2cccc(Br)c2S1 ZINC000035751988 172396619 /nfs/dbraw/zinc/39/66/19/172396619.db2.gz DOSSECVAWIYCME-RCOVLWMOSA-N 1 0 258.184 3.333 10 0 CGAERO C[C@H]([NH2+]Cc1cscc1Br)[C@H]1CCCO1 ZINC000285597622 196338004 /nfs/dbraw/zinc/33/80/04/196338004.db2.gz YBSZCWQSWMEKLU-GZMMTYOYSA-N 1 0 290.226 3.168 10 0 CGAERO CCCCCO[C@H]1CCc2cc(OC)ccc2[C@@H]1[NH3+] ZINC000037114109 172965566 /nfs/dbraw/zinc/96/55/66/172965566.db2.gz QRVBQBSHSQMJTF-HOTGVXAUSA-N 1 0 263.381 3.217 10 0 CGAERO O[C@@H]1CCC[C@@H]([NH2+]C2CC(c3ccc(Cl)cc3)C2)C1 ZINC000037166188 173000032 /nfs/dbraw/zinc/00/00/32/173000032.db2.gz AHUJMYRWQPDIMI-IGDQZBHYSA-N 1 0 279.811 3.479 10 0 CGAERO CC[C@H](C)C[N@H+](C)CCCOc1ccccc1N ZINC000037172185 173005746 /nfs/dbraw/zinc/00/57/46/173005746.db2.gz ACJBTAMKHMPBGC-ZDUSSCGKSA-N 1 0 250.386 3.016 10 0 CGAERO Cc1ccc2sc(N[C@@H]3C[NH+]4CCC3CC4)nc2c1 ZINC000037206666 173027563 /nfs/dbraw/zinc/02/75/63/173027563.db2.gz GTGJYEKSYFACAN-CYBMUJFWSA-N 1 0 273.405 3.111 10 0 CGAERO COc1ccc([C@H]([NH2+]CC(C)(C)N(C)C)C2CC2)cc1 ZINC000037220409 173038969 /nfs/dbraw/zinc/03/89/69/173038969.db2.gz KFHMCIQQGCORLB-MRXNPFEDSA-N 1 0 276.424 3.076 10 0 CGAERO Cc1cccc(NC(=O)C[NH2+][C@H]2CCC[C@H](C)C2)c1 ZINC000037255460 173066001 /nfs/dbraw/zinc/06/60/01/173066001.db2.gz HWKIWJRFRJHPTQ-JSGCOSHPSA-N 1 0 260.381 3.102 10 0 CGAERO O=C(CC[NH2+]C1CC1)Nc1cc(Cl)ccc1Cl ZINC000037396215 173176886 /nfs/dbraw/zinc/17/68/86/173176886.db2.gz BIADFXMFAKANAQ-UHFFFAOYSA-N 1 0 273.163 3.074 10 0 CGAERO COC(=O)CCC[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000037417113 173194554 /nfs/dbraw/zinc/19/45/54/173194554.db2.gz ASTKMRPHWYEMLE-UHFFFAOYSA-N 1 0 281.783 3.129 10 0 CGAERO CC(C)n1c2ccc(Cl)cc2nc1C[C@H](C)[NH3+] ZINC000037440661 173210216 /nfs/dbraw/zinc/21/02/16/173210216.db2.gz MQASVCLTCYBSQL-VIFPVBQESA-N 1 0 251.761 3.160 10 0 CGAERO C[NH2+][C@@H](c1cccc(OC)c1)c1ccccc1OC ZINC000037532969 173254088 /nfs/dbraw/zinc/25/40/88/173254088.db2.gz SCRIEDMMAQEYSF-INIZCTEOSA-N 1 0 257.333 3.013 10 0 CGAERO C[NH2+][C@@H](Cc1ccc(Cl)cc1)Cc1ccccn1 ZINC000037535359 173254584 /nfs/dbraw/zinc/25/45/84/173254584.db2.gz XXNNHCLFBIQRBY-HNNXBMFYSA-N 1 0 260.768 3.108 10 0 CGAERO CCCC[C@H]([NH3+])C(=O)N[C@@H](CC)c1cccc(Cl)c1 ZINC000037619732 173569297 /nfs/dbraw/zinc/56/92/97/173569297.db2.gz AMFDOMNCSSUJRO-KBPBESRZSA-N 1 0 282.815 3.425 10 0 CGAERO [NH3+]CCc1cc(Cl)cc(Cl)c1OCc1cccnc1 ZINC000037722067 173640219 /nfs/dbraw/zinc/64/02/19/173640219.db2.gz LYGGZAJHODWQIC-UHFFFAOYSA-N 1 0 297.185 3.469 10 0 CGAERO CC(C)CCN(CCC(C)C)C(=O)[C@](C)([NH3+])C1CC1 ZINC000037804712 173745179 /nfs/dbraw/zinc/74/51/79/173745179.db2.gz ZNEIHSFZTSOGEH-MRXNPFEDSA-N 1 0 268.445 3.035 10 0 CGAERO CC[NH2+][C@H](c1c(F)cc(OC)cc1F)C1CCC1 ZINC000037903661 173834645 /nfs/dbraw/zinc/83/46/45/173834645.db2.gz QIVAKSOGOOODSD-AWEZNQCLSA-N 1 0 255.308 3.424 10 0 CGAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(C)n2)c(C)c1 ZINC000038037394 174037357 /nfs/dbraw/zinc/03/73/57/174037357.db2.gz ASANJXOBMRKFAP-CYBMUJFWSA-N 1 0 255.365 3.253 10 0 CGAERO COc1ccc(Cl)cc1C[NH2+][C@H](CC(C)C)CN(C)C ZINC000038051607 174062991 /nfs/dbraw/zinc/06/29/91/174062991.db2.gz PSWVPUOZWQBERC-OAHLLOKOSA-N 1 0 298.858 3.415 10 0 CGAERO C[NH2+][C@H](C)c1ccc(-n2cc(Br)cn2)c(F)c1 ZINC000038054427 174065672 /nfs/dbraw/zinc/06/56/72/174065672.db2.gz QQHYOZVFZHTTTH-MRVPVSSYSA-N 1 0 298.159 3.054 10 0 CGAERO CC[C@@H](C)[NH2+][C@](C)(C(N)=O)c1ccc(Cl)c(Cl)c1 ZINC000038065736 174077082 /nfs/dbraw/zinc/07/70/82/174077082.db2.gz YABCSGYCPCQXFR-OQPBUACISA-N 1 0 289.206 3.082 10 0 CGAERO [NH3+]Cc1ccc(-c2c(F)cc(F)cc2F)cc1F ZINC000038072788 174083340 /nfs/dbraw/zinc/08/33/40/174083340.db2.gz GAWXMLGBPKWFJO-UHFFFAOYSA-N 1 0 255.214 3.369 10 0 CGAERO CCC[NH+]1CCC(O)(Cc2cc(C)cc(C)c2)CC1 ZINC000038077090 174087556 /nfs/dbraw/zinc/08/75/56/174087556.db2.gz JCFSEWSPNCDRMC-UHFFFAOYSA-N 1 0 261.409 3.083 10 0 CGAERO CC[NH+]1CCC(O)(c2ccc(Cl)c(Cl)c2)CC1 ZINC000038277027 174138293 /nfs/dbraw/zinc/13/82/93/174138293.db2.gz SBCWZYFAPKNJCJ-UHFFFAOYSA-N 1 0 274.191 3.297 10 0 CGAERO CC(C)(C)OC(=O)Nc1cc(Cl)cc(CC[NH3+])c1 ZINC000040443185 174263436 /nfs/dbraw/zinc/26/34/36/174263436.db2.gz NSTYMMMUEUICHR-UHFFFAOYSA-N 1 0 270.760 3.188 10 0 CGAERO CCCOc1ccc2ccccc2c1C[NH2+]CCCO ZINC000040743712 174390978 /nfs/dbraw/zinc/39/09/78/174390978.db2.gz QLXGTJRXHLTFTQ-UHFFFAOYSA-N 1 0 273.376 3.101 10 0 CGAERO CC(C)COc1ccc(CN2CCC[NH2+]CC2)c(Cl)c1 ZINC000041166597 174504623 /nfs/dbraw/zinc/50/46/23/174504623.db2.gz NMSXWZDWQLIIMP-UHFFFAOYSA-N 1 0 296.842 3.170 10 0 CGAERO [NH3+]C[C@H](Cc1cccc(F)c1)Cc1ccccc1F ZINC000041350701 174529879 /nfs/dbraw/zinc/52/98/79/174529879.db2.gz IUOZYBHQHWLDGP-CYBMUJFWSA-N 1 0 261.315 3.325 10 0 CGAERO COc1ccc(NCCC[NH+]2CCCC2)cc1Cl ZINC000041388860 174543450 /nfs/dbraw/zinc/54/34/50/174543450.db2.gz ADLBDDJMIVXCNJ-UHFFFAOYSA-N 1 0 268.788 3.246 10 0 CGAERO C[NH2+][C@@H]1CCC[C@@H]1Cc1cc(Cl)ccc1OC ZINC000042398249 174709460 /nfs/dbraw/zinc/70/94/60/174709460.db2.gz RTHVVULKNQNFOD-ZWNOBZJWSA-N 1 0 253.773 3.279 10 0 CGAERO CC[C@@H]([NH3+])[C@H](Sc1ncccn1)c1ccc(C)cc1 ZINC000042943369 174918799 /nfs/dbraw/zinc/91/87/99/174918799.db2.gz GWTVHOCCBYCBSW-ZIAGYGMSSA-N 1 0 273.405 3.356 10 0 CGAERO CC[C@@H]([NH3+])[C@H](Sc1nncs1)c1ccc(OC)cc1 ZINC000042964717 174928291 /nfs/dbraw/zinc/92/82/91/174928291.db2.gz JCYXCVRCQOOEHR-VXGBXAGGSA-N 1 0 295.433 3.117 10 0 CGAERO C[C@H]([NH3+])[C@@H](c1cccc(Cl)c1)N(C)Cc1cscn1 ZINC000043016525 174943018 /nfs/dbraw/zinc/94/30/18/174943018.db2.gz XRARQLVUKZDBTE-HZMBPMFUSA-N 1 0 295.839 3.317 10 0 CGAERO CC[C@H]([NH3+])[C@@H](OCC(F)(F)F)c1ccccc1C ZINC000043038157 174952851 /nfs/dbraw/zinc/95/28/51/174952851.db2.gz XKABSRUXQDMBJF-RYUDHWBXSA-N 1 0 261.287 3.352 10 0 CGAERO CC[C@@H]([NH3+])[C@H](O[C@@H](C)CC)c1ccccc1OC ZINC000043100340 174967690 /nfs/dbraw/zinc/96/76/90/174967690.db2.gz PDKWEKWNELCRFA-NJZAAPMLSA-N 1 0 251.370 3.289 10 0 CGAERO COc1ccccc1C[C@H]([NH3+])c1ccc(F)c(C)c1 ZINC000043457840 175050013 /nfs/dbraw/zinc/05/00/13/175050013.db2.gz CRNGJHHECOJTOJ-HNNXBMFYSA-N 1 0 259.324 3.385 10 0 CGAERO Nc1cc[nH+]c(Nc2ccccc2C(F)(F)F)c1 ZINC000043568553 175067246 /nfs/dbraw/zinc/06/72/46/175067246.db2.gz ZFLLXWRLWJCMLA-UHFFFAOYSA-N 1 0 253.227 3.426 10 0 CGAERO CC[NH2+][C@H](CN1CCCCC1)c1ccc(C)c(C)c1 ZINC000043814337 175111675 /nfs/dbraw/zinc/11/16/75/175111675.db2.gz OOVVMXOBEQOPQZ-QGZVFWFLSA-N 1 0 260.425 3.440 10 0 CGAERO CCN(CC(F)(F)F)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000044415726 175173090 /nfs/dbraw/zinc/17/30/90/175173090.db2.gz DYVJITLQLAEVCR-LLVKDONJSA-N 1 0 280.721 3.224 10 0 CGAERO O[C@]12CCCC[C@@H]1C[N@H+](CCSc1ccccc1)CC2 ZINC000127895254 287298624 /nfs/dbraw/zinc/29/86/24/287298624.db2.gz CHEQJSFCQSDKBJ-WBVHZDCISA-N 1 0 291.460 3.406 10 0 CGAERO c1ccc(Cc2ccc(OC[C@@H]3CCC[NH2+]3)cc2)cc1 ZINC000045245835 175336484 /nfs/dbraw/zinc/33/64/84/175336484.db2.gz NXNMORHGFGYRDN-KRWDZBQOSA-N 1 0 267.372 3.408 10 0 CGAERO COc1ccccc1C[NH2+]Cc1cn(C)c2ccccc12 ZINC000045945054 175387579 /nfs/dbraw/zinc/38/75/79/175387579.db2.gz CUZIWDQIILXLBB-UHFFFAOYSA-N 1 0 280.371 3.477 10 0 CGAERO Clc1ccc(C[NH2+]CCc2c[nH]cn2)c(Cl)c1 ZINC000045946224 175388189 /nfs/dbraw/zinc/38/81/89/175388189.db2.gz GZTMLXIOPRUVPG-UHFFFAOYSA-N 1 0 270.163 3.049 10 0 CGAERO C[NH2+]CC(C)(C)Oc1ccc(OC)cc1C(C)(C)C ZINC000051957570 175528699 /nfs/dbraw/zinc/52/86/99/175528699.db2.gz RFYGUSXZLWEMOR-UHFFFAOYSA-N 1 0 265.397 3.370 10 0 CGAERO C[NH2+][C@@H](C)c1c(F)cccc1N(C)CC1CCC1 ZINC000061458546 175647205 /nfs/dbraw/zinc/64/72/05/175647205.db2.gz MLRDYSRKRCFRJA-NSHDSACASA-N 1 0 250.361 3.342 10 0 CGAERO Cc1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000128487849 287312263 /nfs/dbraw/zinc/31/22/63/287312263.db2.gz MJUIVRLCAMFLIW-IAGOWNOFSA-N 1 0 259.393 3.122 10 0 CGAERO CC(C)CC[NH2+]C[C@@H](C)Oc1cc(F)ccc1F ZINC000071168904 176049908 /nfs/dbraw/zinc/04/99/08/176049908.db2.gz XSGQTWJCTWMGIM-LLVKDONJSA-N 1 0 257.324 3.368 10 0 CGAERO C[C@@H]([NH2+]Cc1ccc2c(c1)CC(C)(C)O2)[C@@H]1CCCO1 ZINC000071170167 176050918 /nfs/dbraw/zinc/05/09/18/176050918.db2.gz XNJVCFRCMMHGJM-DOMZBBRYSA-N 1 0 275.392 3.057 10 0 CGAERO Cc1ncsc1CNC1=[NH+]C[C@@H](c2ccccc2)S1 ZINC000071213361 176085034 /nfs/dbraw/zinc/08/50/34/176085034.db2.gz BNLQWOKCHGOZAF-ZDUSSCGKSA-N 1 0 289.429 3.385 10 0 CGAERO CCC1(CC)CSC(NCc2ncccc2C)=[NH+]1 ZINC000071344673 176131532 /nfs/dbraw/zinc/13/15/32/176131532.db2.gz JPHWUTQKFOKFLD-UHFFFAOYSA-N 1 0 263.410 3.141 10 0 CGAERO CC(C)=CC[NH+]1CCC(Nc2cnccc2C)CC1 ZINC000071413792 176159418 /nfs/dbraw/zinc/15/94/18/176159418.db2.gz QNLUGBFGUHJWHV-UHFFFAOYSA-N 1 0 259.397 3.233 10 0 CGAERO CC[NH2+]CC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000071576588 176204113 /nfs/dbraw/zinc/20/41/13/176204113.db2.gz KIXOPIKORVFUSI-UHFFFAOYSA-N 1 0 255.317 3.271 10 0 CGAERO CC[NH+](CC)[C@@H](C)CNC(=O)CC[C@@H](C)c1ccccc1 ZINC000128702523 287316616 /nfs/dbraw/zinc/31/66/16/287316616.db2.gz WVTVLLHTZVVDCJ-CVEARBPZSA-N 1 0 290.451 3.417 10 0 CGAERO Cc1[nH]nc2c1[C@@H]([NH3+])C[C@H](c1cccc(Cl)c1)C2 ZINC000072415309 176399313 /nfs/dbraw/zinc/39/93/13/176399313.db2.gz RHIFWFUMIJFLAS-JQWIXIFHSA-N 1 0 261.756 3.101 10 0 CGAERO C[C@@H]1CCC[C@@]1(C[NH3+])c1ccc(Br)cc1 ZINC000076397998 177015242 /nfs/dbraw/zinc/01/52/42/177015242.db2.gz DNYVYMIYCASHDH-MFKMUULPSA-N 1 0 268.198 3.466 10 0 CGAERO COc1cc(C)c([C@@H](C[NH3+])CC(C)C)cc1OC ZINC000076656033 177045492 /nfs/dbraw/zinc/04/54/92/177045492.db2.gz NOAXMUDAATYDCF-GFCCVEGCSA-N 1 0 251.370 3.101 10 0 CGAERO CC[C@@H](C[NH3+])CCC(=O)Nc1cccc(Cl)c1 ZINC000076659059 177047399 /nfs/dbraw/zinc/04/73/99/177047399.db2.gz FJNXTKCDBDPCIQ-SNVBAGLBSA-N 1 0 254.761 3.044 10 0 CGAERO CCC[C@H](C[NH3+])CC(=O)Nc1ccc(Cl)cc1 ZINC000076658868 177047561 /nfs/dbraw/zinc/04/75/61/177047561.db2.gz FFZPFUJNHHTBSD-JTQLQIEISA-N 1 0 254.761 3.044 10 0 CGAERO CCc1ccc([C@@H](C[NH3+])COc2ccccc2)cc1 ZINC000076660256 177048805 /nfs/dbraw/zinc/04/88/05/177048805.db2.gz RRDYYNGWBLETPK-INIZCTEOSA-N 1 0 255.361 3.370 10 0 CGAERO Cc1ccccc1CC[C@H](CC[NH3+])c1cccn1C ZINC000076663316 177049942 /nfs/dbraw/zinc/04/99/42/177049942.db2.gz LAOCLIQLUWYJGE-MRXNPFEDSA-N 1 0 256.393 3.399 10 0 CGAERO [NH3+]CC[C@H](COc1cccc(F)c1)c1ccccc1 ZINC000076668597 177052510 /nfs/dbraw/zinc/05/25/10/177052510.db2.gz PXRSHFIYRVCUBB-CQSZACIVSA-N 1 0 259.324 3.337 10 0 CGAERO Cc1cccc(C(C)C)c1NC(=O)CC[C@H](C)C[NH3+] ZINC000076676088 177056116 /nfs/dbraw/zinc/05/61/16/177056116.db2.gz AGPWMCOENIXUNF-LBPRGKRZSA-N 1 0 262.397 3.432 10 0 CGAERO COc1cc([C@@H](CC[NH3+])C2CCC2)c(OC)cc1C ZINC000076678586 177057078 /nfs/dbraw/zinc/05/70/78/177057078.db2.gz GWMYIMSHVRHNAB-ZDUSSCGKSA-N 1 0 263.381 3.245 10 0 CGAERO c1csc([C@@H](C2CCCCC2)N2CC[NH2+]CC2)c1 ZINC000076680396 177058268 /nfs/dbraw/zinc/05/82/68/177058268.db2.gz PXKXTTGOYQYBOH-OAHLLOKOSA-N 1 0 264.438 3.275 10 0 CGAERO CC(C)[C@@H](CCC[NH3+])C(=O)Nc1cccc(Cl)c1 ZINC000076706008 177065558 /nfs/dbraw/zinc/06/55/58/177065558.db2.gz QVDWHGMEQNGEFU-CYBMUJFWSA-N 1 0 268.788 3.290 10 0 CGAERO C[NH2+][C@@H](C)c1csc(Cc2ccccc2F)n1 ZINC000076784762 177092388 /nfs/dbraw/zinc/09/23/88/177092388.db2.gz GRJHELQJUFBYID-VIFPVBQESA-N 1 0 250.342 3.153 10 0 CGAERO O[C@@H]1CCC[C@H](C[N@@H+]2CCC3(C2)CCCCC3)C1 ZINC000310981335 416532423 /nfs/dbraw/zinc/53/24/23/416532423.db2.gz JSRHRMHVQKFXLZ-LSDHHAIUSA-N 1 0 251.414 3.194 10 0 CGAERO C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CCC[C@@H](O)C1 ZINC000310912962 416532580 /nfs/dbraw/zinc/53/25/80/416532580.db2.gz YOEGCSHUKJPCDG-UKRRQHHQSA-N 1 0 267.800 3.323 10 0 CGAERO Cc1cccc(C[NH+]2CCCC2)c1Br ZINC000685945923 544110638 /nfs/dbraw/zinc/11/06/38/544110638.db2.gz GGKIUVBCCFUHBR-UHFFFAOYSA-N 1 0 254.171 3.353 10 0 CGAERO Clc1ccc(Cl)c(-n2cc([C@H]3CCCC[NH2+]3)nn2)c1 ZINC000725263187 544113825 /nfs/dbraw/zinc/11/38/25/544113825.db2.gz USBYQDRDYVECJC-LLVKDONJSA-N 1 0 297.189 3.389 10 0 CGAERO CC(C)[NH2+]Cc1cc(Cl)nc(C(F)(F)F)c1 ZINC000725270456 544114477 /nfs/dbraw/zinc/11/44/77/544114477.db2.gz NNMCAFGDEVNDIP-UHFFFAOYSA-N 1 0 252.667 3.252 10 0 CGAERO CCn1cc(C(F)F)c(-c2ccc(C[NH3+])s2)n1 ZINC000725270130 544114593 /nfs/dbraw/zinc/11/45/93/544114593.db2.gz HMOHRJOBSSSBRM-UHFFFAOYSA-N 1 0 257.309 3.028 10 0 CGAERO CCCOc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2O)cc1 ZINC000135620155 287473253 /nfs/dbraw/zinc/47/32/53/287473253.db2.gz XFALOTYQJCQZFL-IAGOWNOFSA-N 1 0 277.408 3.259 10 0 CGAERO C[C@H]([NH2+]C1CC(CO)C1)c1cccc2ccccc21 ZINC000658350893 418946999 /nfs/dbraw/zinc/94/69/99/418946999.db2.gz HUTIKGISPPUFJR-OPFPJEHXSA-N 1 0 255.361 3.261 10 0 CGAERO C[C@@H]([NH2+]C1CC(CO)C1)c1ccc(C(F)(F)F)cc1 ZINC000658351517 418947668 /nfs/dbraw/zinc/94/76/68/418947668.db2.gz NCPZLRFDDSNKHN-TTXORMCVSA-N 1 0 273.298 3.127 10 0 CGAERO C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C1CC(CO)C1 ZINC000658355938 418947969 /nfs/dbraw/zinc/94/79/69/418947969.db2.gz KUQMUNZXMJRBNV-HLIUYOAVSA-N 1 0 261.409 3.103 10 0 CGAERO Cc1nc(CN[C@@H](C)c2cc(F)ccc2F)[nH]c1C ZINC000657301220 419246978 /nfs/dbraw/zinc/24/69/78/419246978.db2.gz WCGNKEHEJUKJRP-JTQLQIEISA-N 1 0 265.307 3.156 10 0 CGAERO Cc1ncc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2)n1C ZINC000657337507 419255196 /nfs/dbraw/zinc/25/51/96/419255196.db2.gz XVKZBYRRODCOBB-ZDUSSCGKSA-N 1 0 257.381 3.196 10 0 CGAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](C2CCCCC2)C1 ZINC000662740815 419485682 /nfs/dbraw/zinc/48/56/82/419485682.db2.gz IMOLNGZTUCYNND-CVEARBPZSA-N 1 0 280.456 3.179 10 0 CGAERO CCn1nc(C)c([C@@H](C)[NH2+]CCC(C)(C)F)c1C ZINC000658192588 419652372 /nfs/dbraw/zinc/65/23/72/419652372.db2.gz MRRCWCPOGMTJQW-SNVBAGLBSA-N 1 0 255.381 3.309 10 0 CGAERO CS[C@H](CO)[C@H](C)[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000223906574 260402609 /nfs/dbraw/zinc/40/26/09/260402609.db2.gz OZQKSEJDENAQNL-VQJWOFKYSA-N 1 0 273.486 3.149 10 0 CGAERO CCOc1ccc(C[NH2+][C@H](CC(C)C)CN(C)C)cc1 ZINC000037166695 270028748 /nfs/dbraw/zinc/02/87/48/270028748.db2.gz FZPUXOOCKQPDSD-MRXNPFEDSA-N 1 0 278.440 3.151 10 0 CGAERO C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(CCc2ccccc2)C1 ZINC000040671199 270030037 /nfs/dbraw/zinc/03/00/37/270030037.db2.gz JIBQUXFKMLHJBF-BHIYHBOVSA-N 1 0 286.463 3.472 10 0 CGAERO C[C@H]1C[C@H](C(=O)NC2CC[NH+](C3CC3)CC2)CC(C)(C)C1 ZINC000182981507 270055067 /nfs/dbraw/zinc/05/50/67/270055067.db2.gz MFCDKNGSZLNGHZ-KBPBESRZSA-N 1 0 292.467 3.192 10 0 CGAERO Cc1c([C@H](C)[NH2+][C@H](CC(C)C)CN(C)C)cnn1C(C)C ZINC000191264234 270074557 /nfs/dbraw/zinc/07/45/57/270074557.db2.gz GGGTWJJQQFEMKC-GOEBONIOSA-N 1 0 294.487 3.399 10 0 CGAERO Cc1ccc([C@H](C)NCc2nc(-c3ccccc3)no2)o1 ZINC000193647806 270079511 /nfs/dbraw/zinc/07/95/11/270079511.db2.gz OKPIMMCQQYPCIT-LBPRGKRZSA-N 1 0 283.331 3.489 10 0 CGAERO CCc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@H](C)CC)cc1 ZINC000216500859 270085287 /nfs/dbraw/zinc/08/52/87/270085287.db2.gz DCHDMVAIQODULS-HZSPNIEDSA-N 1 0 276.424 3.203 10 0 CGAERO C[C@H](CCCC(F)(F)F)[NH2+][C@H]1CCCC[C@@H]1CO ZINC000229556036 270088492 /nfs/dbraw/zinc/08/84/92/270088492.db2.gz DBJOXMNANDKNKU-UTUOFQBUSA-N 1 0 267.335 3.248 10 0 CGAERO FC(F)Oc1cccc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)c1 ZINC000250426138 270091444 /nfs/dbraw/zinc/09/14/44/270091444.db2.gz FYLADQPLOUHDKR-CABCVRRESA-N 1 0 297.345 3.431 10 0 CGAERO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc3cc[nH]c3c2)C[C@H](C)O1 ZINC000527701760 270132718 /nfs/dbraw/zinc/13/27/18/270132718.db2.gz AFAPWBSCJJQLRN-AGGWBTHJSA-N 1 0 272.392 3.461 10 0 CGAERO CC1(C)C[C@H]([NH2+]Cc2cccnc2)c2ccccc2O1 ZINC000082504886 273589431 /nfs/dbraw/zinc/58/94/31/273589431.db2.gz UNLVVJUSICQEJR-HNNXBMFYSA-N 1 0 268.360 3.474 10 0 CGAERO Cc1ccc2c(c1)C1(C[C@H]2OCC2CC2)CC[NH2+]CC1 ZINC000096079402 274770547 /nfs/dbraw/zinc/77/05/47/274770547.db2.gz RTWXTTRJCXJRPM-QGZVFWFLSA-N 1 0 271.404 3.488 10 0 CGAERO Cc1ccc2nc([C@@H](C)[NH3+])n(-c3ccccc3)c2c1 ZINC000091692147 274785163 /nfs/dbraw/zinc/78/51/63/274785163.db2.gz SUVXIQIFHANZHY-GFCCVEGCSA-N 1 0 251.333 3.354 10 0 CGAERO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1cccc2nccn21 ZINC000188953113 274799529 /nfs/dbraw/zinc/79/95/29/274799529.db2.gz OHMYGPFPFUYPFV-INIZCTEOSA-N 1 0 293.370 3.256 10 0 CGAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[C@H]2C)C12CCOCC2 ZINC000248910630 287792025 /nfs/dbraw/zinc/79/20/25/287792025.db2.gz BYYUQXMYQDCNQX-WCXIOVBPSA-N 1 0 295.467 3.377 10 0 CGAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@H](C)C2)C12CCOCC2 ZINC000249026648 287797309 /nfs/dbraw/zinc/79/73/09/287797309.db2.gz RRQFEGBQRFDNCL-LUKYLMHMSA-N 1 0 295.467 3.377 10 0 CGAERO O[C@@H]1c2ccccc2C[C@H]1[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000248164861 275055847 /nfs/dbraw/zinc/05/58/47/275055847.db2.gz STRCEVZESZRHAE-VAMGGRTRSA-N 1 0 293.410 3.256 10 0 CGAERO C[C@H](CN1CCCC1=O)[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000249371232 287812300 /nfs/dbraw/zinc/81/23/00/287812300.db2.gz 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CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1c1cc(F)cc(F)c1 ZINC000083510436 535825271 /nfs/dbraw/zinc/82/52/71/535825271.db2.gz CAYRTIFODMNEDJ-UKRRQHHQSA-N 1 0 268.351 3.178 10 0 CGAERO CC[C@H]1C[NH2+][C@H](C)CN1c1ccc(F)c(Cl)c1 ZINC000083418367 536169840 /nfs/dbraw/zinc/16/98/40/536169840.db2.gz KGTGHQFYOCPAMJ-ZJUUUORDSA-N 1 0 256.752 3.056 10 0 CGAERO CC[C@H](C)CS[C@H](C[NH3+])C(F)(F)C(F)(F)F ZINC000616571064 570408910 /nfs/dbraw/zinc/40/89/10/570408910.db2.gz VJCJUMHCCJBQBZ-NKWVEPMBSA-N 1 0 265.291 3.291 10 0 CGAERO Cc1ccc([C@@]2(C[NH3+])C[C@@H](F)C2)cc1Br ZINC000725259114 567917030 /nfs/dbraw/zinc/91/70/30/567917030.db2.gz ZTESOTOXPIZGSS-KLPPZKSPSA-N 1 0 272.161 3.086 10 0 CGAERO CCc1ccccc1NC(=O)[C@@H]1CCc2nc(C)[nH]c2C1 ZINC000220590119 572427633 /nfs/dbraw/zinc/42/76/33/572427633.db2.gz ZYSQEMDGLYCASV-CYBMUJFWSA-N 1 0 283.375 3.024 10 0 CGAERO CC(C)[C@H]1OC2(CCC(F)(F)CC2)[NH2+]CC12CC2 ZINC000757142639 617791667 /nfs/dbraw/zinc/79/16/67/617791667.db2.gz LOEUNFLDVHDLSV-LLVKDONJSA-N 1 0 259.340 3.317 10 0 CGAERO CCCCC[C@@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000176298295 618472088 /nfs/dbraw/zinc/47/20/88/618472088.db2.gz ZKSKCKBNTVJEBT-HZPDHXFCSA-N 1 0 280.456 3.146 10 0 CGAERO COC1CC([NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000310243044 618784124 /nfs/dbraw/zinc/78/41/24/618784124.db2.gz UNEIBVRDCVQTRB-YIZWMMSDSA-N 1 0 296.208 3.203 10 0 CGAERO COc1cc(C(F)(F)F)ccc1[C@@H]1CCC[NH2+]C1 ZINC000095828677 618788297 /nfs/dbraw/zinc/78/82/97/618788297.db2.gz HAJYZPNSWHOIRS-SECBINFHSA-N 1 0 259.271 3.181 10 0 CGAERO CCCCC[C@@H]([NH2+]Cc1nnc(CC)n1C)C(C)(C)C ZINC000179915472 619011368 /nfs/dbraw/zinc/01/13/68/619011368.db2.gz QIOBWYUWOLFWNB-CYBMUJFWSA-N 1 0 280.460 3.462 10 0 CGAERO C[C@H](C[NH2+][C@@H]1CCC[C@H]1C)N(C)C(=O)OC(C)(C)C ZINC000309967258 619048002 /nfs/dbraw/zinc/04/80/02/619048002.db2.gz GAJUIVIISHAERY-JHJVBQTASA-N 1 0 270.417 3.020 10 0 CGAERO CC(C)C1CC([NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C)C1 ZINC000310001671 619066085 /nfs/dbraw/zinc/06/60/85/619066085.db2.gz 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345984980 /nfs/dbraw/zinc/98/49/80/345984980.db2.gz LNWQDUDTLBLRKX-QGZVFWFLSA-N 1 0 252.361 3.228 10 0 CGAERO COc1ccc([C@H]2CC[NH2+]CCN2c2ccccc2)cc1 ZINC000117618341 345985096 /nfs/dbraw/zinc/98/50/96/345985096.db2.gz KEXKBZWFGUFWEV-GOSISDBHSA-N 1 0 282.387 3.236 10 0 CGAERO [NH3+]Cc1c(-c2ccccc2Cl)ccc2ncncc21 ZINC000117740646 345985872 /nfs/dbraw/zinc/98/58/72/345985872.db2.gz KXYHXKPLZNOQMX-UHFFFAOYSA-N 1 0 269.735 3.409 10 0 CGAERO CC1(C)CCc2nc(CC[NH+]3CCCC3)nc(Cl)c2C1 ZINC000114717730 345966546 /nfs/dbraw/zinc/96/65/46/345966546.db2.gz UJTJDMLEOIQLNE-UHFFFAOYSA-N 1 0 293.842 3.283 10 0 CGAERO CC[C@H](O)CC[NH2+][C@H](Cc1ccccc1OC)C(C)C ZINC000128308726 187362982 /nfs/dbraw/zinc/36/29/82/187362982.db2.gz VQTPFYWGCMCOFG-JKSUJKDBSA-N 1 0 279.424 3.013 10 0 CGAERO C[C@@H]1CC[C@@H]([C@H]([NH3+])c2cscc2Br)O1 ZINC000132231153 346070614 /nfs/dbraw/zinc/07/06/14/346070614.db2.gz KKGZPRALDTWMGU-WHFVKQHSSA-N 1 0 276.199 3.078 10 0 CGAERO C[C@@]1(C(=O)Nc2ccc(C(F)(F)F)cc2)CCCC[NH2+]1 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c1ccc(C[N@@H+]2CCCC[C@@H](c3ccncn3)C2)cc1 ZINC000616605996 348843843 /nfs/dbraw/zinc/84/38/43/348843843.db2.gz UOVOXPQLOWJQMX-MRXNPFEDSA-N 1 0 267.376 3.246 10 0 CGAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2ccccc2CCO)C1 ZINC000616610954 348845063 /nfs/dbraw/zinc/84/50/63/348845063.db2.gz MQGDXOZXTLBVOJ-OAHLLOKOSA-N 1 0 261.409 3.199 10 0 CGAERO Nc1cccc([C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000616618736 348848357 /nfs/dbraw/zinc/84/83/57/348848357.db2.gz VKERPKMMMLJEKA-OAHLLOKOSA-N 1 0 267.376 3.043 10 0 CGAERO CC(C)[N@@H+]1CCCCC[C@H]1c1cccc(C(N)=O)c1 ZINC000616622460 348848959 /nfs/dbraw/zinc/84/89/59/348848959.db2.gz YZYZDIGOXSXKJO-HNNXBMFYSA-N 1 0 260.381 3.111 10 0 CGAERO CC(C)(C)[N@@H+]1CCN[C@H](c2ccccc2Cl)C1 ZINC000616631910 348852767 /nfs/dbraw/zinc/85/27/67/348852767.db2.gz AILKHLASLPRFJL-ZDUSSCGKSA-N 1 0 252.789 3.085 10 0 CGAERO CC(C)[N@@H+]1CCOC[C@@H]1c1cccc2cccnc21 ZINC000616638545 348853393 /nfs/dbraw/zinc/85/33/93/348853393.db2.gz XKJDOFRSAXASLD-OAHLLOKOSA-N 1 0 256.349 3.017 10 0 CGAERO CCOC(=O)c1ccc([C@@H]2C[N@@H+](C(C)(C)C)CCO2)cc1 ZINC000616646461 348855798 /nfs/dbraw/zinc/85/57/98/348855798.db2.gz HHLOZHXTMXQVBF-HNNXBMFYSA-N 1 0 291.391 3.035 10 0 CGAERO CC[N@@H+]1CCCOC[C@H]1c1cnc2ccccc2c1 ZINC000616648993 348856078 /nfs/dbraw/zinc/85/60/78/348856078.db2.gz IVSJMORAEAYWMC-INIZCTEOSA-N 1 0 256.349 3.018 10 0 CGAERO CC(C)(C)OC(=O)Nc1ccc([C@H]2C[NH2+]CCCO2)cc1 ZINC000616651201 348856742 /nfs/dbraw/zinc/85/67/42/348856742.db2.gz LLDXZWMUENSTBV-CQSZACIVSA-N 1 0 292.379 3.085 10 0 CGAERO CC(C)[N@@H+]1CCCO[C@@H](c2cncc3ccccc32)C1 ZINC000616653354 348857009 /nfs/dbraw/zinc/85/70/09/348857009.db2.gz MTCJVLORASJJFI-QGZVFWFLSA-N 1 0 270.376 3.407 10 0 CGAERO OCc1ccc([C@H]2CC[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000616663528 348859735 /nfs/dbraw/zinc/85/97/35/348859735.db2.gz RRWQWJWTZQRSPO-LJQANCHMSA-N 1 0 297.398 3.143 10 0 CGAERO CC(C)(C)[N@@H+]1CCc2ccccc2[C@H]1c1cccnn1 ZINC000616678093 348864846 /nfs/dbraw/zinc/86/48/46/348864846.db2.gz BBCWSAISDXCZCU-INIZCTEOSA-N 1 0 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RDNKLQLYTHGAFK-OAHLLOKOSA-N 1 0 299.443 3.485 10 0 CGAERO Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C)[C@H]3CCCO3)cc2)n1 ZINC000183129392 189347480 /nfs/dbraw/zinc/34/74/80/189347480.db2.gz GJYTVXWXFWCRFH-MAUKXSAKSA-N 1 0 299.418 3.146 10 0 CGAERO Cc1cccc2c(NCCOCC3CC3)cc[nH+]c12 ZINC000301688147 201140508 /nfs/dbraw/zinc/14/05/08/201140508.db2.gz VIMXDRJLHQMHNY-UHFFFAOYSA-N 1 0 256.349 3.382 10 0 CGAERO CCOC(=O)[C@@]1(C)CCN(c2cc[nH+]c3c(C)cccc23)C1 ZINC000301775965 201189319 /nfs/dbraw/zinc/18/93/19/201189319.db2.gz QVYAYCFCLLTLNX-SFHVURJKSA-N 1 0 298.386 3.323 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1ccc(Cl)cn1 ZINC000286847334 299365149 /nfs/dbraw/zinc/36/51/49/299365149.db2.gz AEBFTBYFNXSCDG-ZLKJLUDKSA-N 1 0 268.788 3.079 10 0 CGAERO [NH3+][C@@H](CCc1ccc(F)cc1)c1ccc2c(c1)OCCO2 ZINC000000173917 368309589 /nfs/dbraw/zinc/30/95/89/368309589.db2.gz JEJMMGHPMSSVFF-HNNXBMFYSA-N 1 0 287.334 3.230 10 0 CGAERO Cc1ccc([C@@H]([NH3+])Cn2cnc3ccccc32)cc1 ZINC000011849704 368597242 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368767555 /nfs/dbraw/zinc/76/75/55/368767555.db2.gz SPALTKAEMCAGEA-AWEZNQCLSA-N 1 0 276.742 3.499 10 0 CGAERO C[N@@H+]1CCCc2cc(O)ccc2Cc2ccccc2CC1 ZINC000028711626 368889321 /nfs/dbraw/zinc/88/93/21/368889321.db2.gz GSJUQPJCKBBTAO-UHFFFAOYSA-N 1 0 281.399 3.404 10 0 CGAERO COc1ccc(F)cc1[C@@H]([NH3+])c1ccc(F)cc1F ZINC000034957118 368982591 /nfs/dbraw/zinc/98/25/91/368982591.db2.gz FKGTVQSABZZZQN-AWEZNQCLSA-N 1 0 267.250 3.161 10 0 CGAERO Cn1ncc2c1CCC[C@@H]2CC[N@H+](C)Cc1ccccc1 ZINC000035878117 369005836 /nfs/dbraw/zinc/00/58/36/369005836.db2.gz CXXTWHMLTPJJON-MRXNPFEDSA-N 1 0 283.419 3.362 10 0 CGAERO c1ccc2c(c1)[nH]c1c2CC[NH2+][C@@H]1c1ccc2c(c1)CCO2 ZINC000035985118 369006057 /nfs/dbraw/zinc/00/60/57/369006057.db2.gz RQEHSDWWBXNMPR-GOSISDBHSA-N 1 0 290.366 3.338 10 0 CGAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000036076456 369006649 /nfs/dbraw/zinc/00/66/49/369006649.db2.gz AJMOZPZDXUJQTC-AWEZNQCLSA-N 1 0 290.451 3.444 10 0 CGAERO CC[C@H](C)[N@@H+](Cc1cccc(F)c1)C[C@H](O)COC(C)C ZINC000036104327 369009581 /nfs/dbraw/zinc/00/95/81/369009581.db2.gz AOFNKGFOUHILPG-YOEHRIQHSA-N 1 0 297.414 3.212 10 0 CGAERO COc1cc(C[NH2+][C@H](C)c2ccc(C)o2)cc(OC)c1O ZINC000034993612 368987031 /nfs/dbraw/zinc/98/70/31/368987031.db2.gz JBFNIGHNCRUANZ-LLVKDONJSA-N 1 0 291.347 3.162 10 0 CGAERO COC(C[NH2+][C@H](C)c1ccc2ccccc2c1)OC ZINC000037566479 369090421 /nfs/dbraw/zinc/09/04/21/369090421.db2.gz ZFBDRLRMUYGDNH-GFCCVEGCSA-N 1 0 259.349 3.109 10 0 CGAERO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1Nc1cccc(-c2cnco2)c1 ZINC000037779638 369110919 /nfs/dbraw/zinc/11/09/19/369110919.db2.gz TYDJMCHOSDMZJW-DVOMOZLQSA-N 1 0 285.391 3.482 10 0 CGAERO CCOC(=O)C1CCC([NH2+][C@H](C)c2ccc(C)o2)CC1 ZINC000037788243 369114138 /nfs/dbraw/zinc/11/41/38/369114138.db2.gz NZAGXHIGRPAYDG-IYXRBSQSSA-N 1 0 279.380 3.361 10 0 CGAERO CCN1CCC[C@@H]([NH2+]Cc2cccc(Br)c2)C1 ZINC000040502005 369156905 /nfs/dbraw/zinc/15/69/05/369156905.db2.gz RMVSUTULDOUUFJ-CQSZACIVSA-N 1 0 297.240 3.023 10 0 CGAERO CCOc1ccc([C@H](O)CC[NH+]2CCCCCC2)cc1 ZINC000041145912 369176192 /nfs/dbraw/zinc/17/61/92/369176192.db2.gz QCIKZVDYCMITOB-QGZVFWFLSA-N 1 0 277.408 3.385 10 0 CGAERO CC(C)(C)[NH2+]CC(=O)c1ccc(Br)cc1 ZINC000041612046 369193273 /nfs/dbraw/zinc/19/32/73/369193273.db2.gz FPHSACFVLYRSEQ-UHFFFAOYSA-N 1 0 270.170 3.020 10 0 CGAERO CC[C@@H]([NH2+]Cc1cc(OC)cc(OC)c1)C(C)C ZINC000042585128 369225052 /nfs/dbraw/zinc/22/50/52/369225052.db2.gz UZLHRCGBKKWQRF-OAHLLOKOSA-N 1 0 251.370 3.228 10 0 CGAERO CCN1CCC[C@@H]([NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC000043389952 369251493 /nfs/dbraw/zinc/25/14/93/369251493.db2.gz BXDNISMGVBZPLY-GFCCVEGCSA-N 1 0 270.779 3.053 10 0 CGAERO Cc1cc(C[NH2+]C2CC(c3cccc(C)c3)C2)on1 ZINC000044986522 369272324 /nfs/dbraw/zinc/27/23/24/369272324.db2.gz ZLDUGIFPDVGKJL-UHFFFAOYSA-N 1 0 256.349 3.327 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1ccc2ncccc2c1 ZINC000049556053 369409719 /nfs/dbraw/zinc/40/97/19/369409719.db2.gz MFBMFBOIDHFBCY-QGZVFWFLSA-N 1 0 285.435 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542345324 /nfs/dbraw/zinc/34/53/24/542345324.db2.gz MPJSALHDLSPDMU-KCQAQPDRSA-N 1 0 263.381 3.222 10 0 CGAERO C[C@H](CCc1ccco1)[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000281161992 195130776 /nfs/dbraw/zinc/13/07/76/195130776.db2.gz BNAVNSKBVVSTHM-MGPQQGTHSA-N 1 0 265.397 3.394 10 0 CGAERO CCCCOC[C@H](O)C[NH2+][C@H]1CCCC12CCCCC2 ZINC000313037775 542434421 /nfs/dbraw/zinc/43/44/21/542434421.db2.gz VFAZNPNRCPMNJR-CVEARBPZSA-N 1 0 283.456 3.257 10 0 CGAERO O[C@@H](c1ccc(F)cc1)C1CC[NH+](C2CCC2)CC1 ZINC000179573032 285308642 /nfs/dbraw/zinc/30/86/42/285308642.db2.gz MTIXDNIQSJRXLZ-INIZCTEOSA-N 1 0 263.356 3.124 10 0 CGAERO O[C@@H]1CC[C@@H](C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000249085064 285323646 /nfs/dbraw/zinc/32/36/46/285323646.db2.gz NBZSJIPJMDBBHT-FMKPAKJESA-N 1 0 287.403 3.184 10 0 CGAERO C[C@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)c1cccc(O)c1 ZINC000282110904 195507736 /nfs/dbraw/zinc/50/77/36/195507736.db2.gz ADZQYNVXLHTVQZ-UPJWGTAASA-N 1 0 263.381 3.246 10 0 CGAERO C[N@H+](C[C@H]1CCC[C@H](O)C1)C1CCC(C)(C)CC1 ZINC000380967793 542595883 /nfs/dbraw/zinc/59/58/83/542595883.db2.gz VMTJMZSZFUXAHI-ZFWWWQNUSA-N 1 0 253.430 3.438 10 0 CGAERO C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cccc(-n2ccnc2)c1 ZINC000189915772 130038059 /nfs/dbraw/zinc/03/80/59/130038059.db2.gz AFJHEPOEUBLEAM-NVXWUHKLSA-N 1 0 298.434 3.007 10 0 CGAERO CCC[C@@H](C)C[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190481064 130109354 /nfs/dbraw/zinc/10/93/54/130109354.db2.gz IYARSZSWQGSXPQ-SJLPKXTDSA-N 1 0 289.467 3.272 10 0 CGAERO C[C@@H](NC(=O)CC1([NH3+])CC1)c1ccc(Cl)cc1Cl ZINC000398166986 542619212 /nfs/dbraw/zinc/61/92/12/542619212.db2.gz XORQMUBIHPDQHE-MRVPVSSYSA-N 1 0 287.190 3.052 10 0 CGAERO Cc1cc(N)c2cc(Br)cc(C)c2[nH+]1 ZINC000036075636 391975405 /nfs/dbraw/zinc/97/54/05/391975405.db2.gz UCYRPXVGZANXNL-UHFFFAOYSA-N 1 0 251.127 3.196 10 0 CGAERO Cc1ccccc1[C@H]1CCCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054308080 392090893 /nfs/dbraw/zinc/09/08/93/392090893.db2.gz BJCAUKVTZRNDSE-DOTOQJQBSA-N 1 0 286.419 3.048 10 0 CGAERO FC(F)Oc1cccc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000050961596 392067199 /nfs/dbraw/zinc/06/71/99/392067199.db2.gz FYLADQPLOUHDKR-LSDHHAIUSA-N 1 0 297.345 3.431 10 0 CGAERO CC[N@@H+]1CC[C@H](Nc2cccc(-c3cnco3)c2)[C@H](C)C1 ZINC000153429167 392516524 /nfs/dbraw/zinc/51/65/24/392516524.db2.gz AJZZIPPCWDSQFN-CJNGLKHVSA-N 1 0 285.391 3.484 10 0 CGAERO CCc1nnc(C[N@@H+]2C[C@H](c3ccccc3C)C[C@@H]2C)n1C ZINC000172549618 392620269 /nfs/dbraw/zinc/62/02/69/392620269.db2.gz XDKPKAIRTCRNFH-LSDHHAIUSA-N 1 0 298.434 3.064 10 0 CGAERO C[NH2+][C@H](c1coc(Br)c1)C1CCCC1 ZINC000306677711 392642838 /nfs/dbraw/zinc/64/28/38/392642838.db2.gz ZPBVRYDFQMNJTF-NSHDSACASA-N 1 0 258.159 3.493 10 0 CGAERO C[C@@H]([NH2+]CCCSCc1ccccc1)[C@@H]1CCCO1 ZINC000183235024 392754519 /nfs/dbraw/zinc/75/45/19/392754519.db2.gz SARNYOIJFQLNDZ-ZBFHGGJFSA-N 1 0 279.449 3.467 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1nc2c(s1)CCCC2 ZINC000179433435 392700349 /nfs/dbraw/zinc/70/03/49/392700349.db2.gz UOTYTTNBRBOGLG-YNEHKIRRSA-N 1 0 294.464 3.224 10 0 CGAERO Cc1oc2nc(C[N@H+]3C[C@@H](C)CC3(C)C)nc(N)c2c1C ZINC000407950341 392969470 /nfs/dbraw/zinc/96/94/70/392969470.db2.gz AAAOWSFFUUHUAK-VIFPVBQESA-N 1 0 288.395 3.042 10 0 CGAERO Cc1c([C@H](C)[NH2+][C@H]2c3ccccc3C[C@H]2O)cnn1C(C)C ZINC000248693876 393093008 /nfs/dbraw/zinc/09/30/08/393093008.db2.gz KFXQTZMXHYQRMF-RZAIGCCYSA-N 1 0 299.418 3.081 10 0 CGAERO [NH3+][C@@H](CF)c1ccc(Br)cc1Cl ZINC000238573488 393036107 /nfs/dbraw/zinc/03/61/07/393036107.db2.gz FUUAQAWINOCGRK-QMMMGPOBSA-N 1 0 252.514 3.072 10 0 CGAERO Cc1ccc2c(c1)CCCN2[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000037158602 134832993 /nfs/dbraw/zinc/83/29/93/134832993.db2.gz PTLMQLBVDKLJNQ-HZPDHXFCSA-N 1 0 258.409 3.265 10 0 CGAERO CC[C@@H]1CN(c2cccc(Cl)c2C)[C@H](C)C[NH2+]1 ZINC000083394206 135017959 /nfs/dbraw/zinc/01/79/59/135017959.db2.gz LUXFIMRNOFHMDZ-ZYHUDNBSSA-N 1 0 252.789 3.225 10 0 CGAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1c1ccccc1Cl ZINC000083394358 135018664 /nfs/dbraw/zinc/01/86/64/135018664.db2.gz WVAZKCPDJNQDKL-NWDGAFQWSA-N 1 0 252.789 3.307 10 0 CGAERO CC[C@@H]1C[NH2+][C@H](C)CN1c1cccc2ccccc21 ZINC000083399822 135019519 /nfs/dbraw/zinc/01/95/19/135019519.db2.gz KBYKLGASMFRXHM-UKRRQHHQSA-N 1 0 254.377 3.417 10 0 CGAERO CC[C@@H]1C[NH2+][C@H](C)CN1c1ccc(F)cc1Cl ZINC000083418420 135020515 /nfs/dbraw/zinc/02/05/15/135020515.db2.gz FZELYBQPFPNFHB-MWLCHTKSSA-N 1 0 256.752 3.056 10 0 CGAERO CC[C@H]1Cc2c(F)c(Br)ccc2C[NH2+]1 ZINC000306557800 397678245 /nfs/dbraw/zinc/67/82/45/397678245.db2.gz JJYOSWJPXBGBMM-QMMMGPOBSA-N 1 0 258.134 3.013 10 0 CGAERO c1cc2c(s1)CC[NH2+][C@H]2c1cnn(Cc2ccccc2)c1 ZINC000306559005 397678259 /nfs/dbraw/zinc/67/82/59/397678259.db2.gz ACPRPLDMEMOJJX-KRWDZBQOSA-N 1 0 295.411 3.228 10 0 CGAERO Cc1ccc([C@@H](C)[NH2+]Cc2cc[nH]c(=O)c2)cc1C ZINC000392955228 397693629 /nfs/dbraw/zinc/69/36/29/397693629.db2.gz PSOJSHSSXRYMJB-CYBMUJFWSA-N 1 0 256.349 3.255 10 0 CGAERO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1nc(C)c(C)s1 ZINC000674875932 543302123 /nfs/dbraw/zinc/30/21/23/543302123.db2.gz XTFXTNWQVOMUBZ-LSDHHAIUSA-N 1 0 293.480 3.209 10 0 CGAERO C[C@H]1CN(C)C[C@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000674880123 543302704 /nfs/dbraw/zinc/30/27/04/543302704.db2.gz GKDJLWNSOLWWNO-SXSDBLRQSA-N 1 0 278.827 3.126 10 0 CGAERO C[C@@H]1C[NH2+]C[C@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000675060425 543312513 /nfs/dbraw/zinc/31/25/13/543312513.db2.gz YSESYAACDISQSQ-RRFJBIMHSA-N 1 0 296.455 3.269 10 0 CGAERO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CCCOC(C)(C)C ZINC000674911024 543306421 /nfs/dbraw/zinc/30/64/21/543306421.db2.gz SMROQAQCRQZLEF-HZPDHXFCSA-N 1 0 282.472 3.140 10 0 CGAERO C[C@@H](NCC[C@@H]1CCC[N@@H+]1C)c1cc(F)ccc1F ZINC000678738561 543552295 /nfs/dbraw/zinc/55/22/95/543552295.db2.gz FIJGPTDOHIJMAB-YPMHNXCESA-N 1 0 268.351 3.100 10 0 CGAERO C[C@@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccccc1Cl ZINC000516861244 287050277 /nfs/dbraw/zinc/05/02/77/287050277.db2.gz FAQUWIMFJJCDAQ-XQQFMLRXSA-N 1 0 266.816 3.379 10 0 CGAERO OC[C@@H](Nc1cc[nH+]c2ccccc12)c1ccccc1 ZINC000063001303 165030061 /nfs/dbraw/zinc/03/00/61/165030061.db2.gz FGNJVKPFGBLMIW-QGZVFWFLSA-N 1 0 264.328 3.380 10 0 CGAERO Cc1ccc(OCCCN2CCCC[C@H]2[C@@H](C)[NH3+])cc1C ZINC000063194762 165031607 /nfs/dbraw/zinc/03/16/07/165031607.db2.gz UFANDRWFXHDCON-AEFFLSMTSA-N 1 0 290.451 3.274 10 0 CGAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2cnc3ccsc3c2)C1 ZINC000068691600 165047546 /nfs/dbraw/zinc/04/75/46/165047546.db2.gz ZMUSMUCSHRMPCH-JSGCOSHPSA-N 1 0 289.448 3.431 10 0 CGAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(F)cc1Cl ZINC000085986919 165179998 /nfs/dbraw/zinc/17/99/98/165179998.db2.gz MAIMSMUPRCHCEJ-BXUZGUMPSA-N 1 0 271.763 3.120 10 0 CGAERO CC(C)c1ccc([C@H](C)NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089452749 165208112 /nfs/dbraw/zinc/20/81/12/165208112.db2.gz ZFUZAJRPVMSBCU-IAOVAPTHSA-N 1 0 288.435 3.362 10 0 CGAERO CC(C)C[C@@H](C)[NH2+]CCc1nc2cc(F)ccc2n1C ZINC000090044179 165223924 /nfs/dbraw/zinc/22/39/24/165223924.db2.gz KINNETHIQMGOMN-GFCCVEGCSA-N 1 0 277.387 3.279 10 0 CGAERO Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000091479893 165263448 /nfs/dbraw/zinc/26/34/48/165263448.db2.gz CQIPFXFTKFVIQB-WDEREUQCSA-N 1 0 286.297 3.080 10 0 CGAERO Cc1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)s1 ZINC000091978873 165280175 /nfs/dbraw/zinc/28/01/75/165280175.db2.gz JSIZHXNGURRCJJ-UONOGXRCSA-N 1 0 251.395 3.200 10 0 CGAERO Fc1cccc(C[C@@H]2CCC[N@@H+]2Cc2cc[nH]c2)c1 ZINC000092121216 165284072 /nfs/dbraw/zinc/28/40/72/165284072.db2.gz LUZWRUIWSCRNPK-INIZCTEOSA-N 1 0 258.340 3.361 10 0 CGAERO C[C@@H](N[C@H](C[NH+](C)C)c1ccccc1)c1ccc(F)cn1 ZINC000092195326 165286430 /nfs/dbraw/zinc/28/64/30/165286430.db2.gz HADURNVDYCQLIU-CXAGYDPISA-N 1 0 287.382 3.174 10 0 CGAERO Cc1cccc(N2CCC([NH2+][C@H](C)c3cccnc3)CC2)n1 ZINC000092750234 165313136 /nfs/dbraw/zinc/31/31/36/165313136.db2.gz IVYOJZVRPDHRCI-OAHLLOKOSA-N 1 0 296.418 3.105 10 0 CGAERO Oc1cccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000092788875 165313869 /nfs/dbraw/zinc/31/38/69/165313869.db2.gz STRFFUKWLSYWBA-ZDUSSCGKSA-N 1 0 274.389 3.228 10 0 CGAERO CC(C)[N@H+]1C[C@H](N[C@@H](C)c2cccc(F)c2F)[C@@H](C)C1 ZINC000090963217 287105515 /nfs/dbraw/zinc/10/55/15/287105515.db2.gz QLNFVSWUHABODN-HUBLWGQQSA-N 1 0 282.378 3.344 10 0 CGAERO C[C@@H]([NH3+])c1ccc(NC(=O)c2ccc(F)c(F)c2F)cc1 ZINC000094183910 165346538 /nfs/dbraw/zinc/34/65/38/165346538.db2.gz UHHUPHHDWPNTEL-MRVPVSSYSA-N 1 0 294.276 3.376 10 0 CGAERO CCn1cccc1C[NH2+]CCc1ccc(F)cc1C ZINC000094950452 165394268 /nfs/dbraw/zinc/39/42/68/165394268.db2.gz JQRLSYBQHJCYTJ-UHFFFAOYSA-N 1 0 260.356 3.288 10 0 CGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1sccc1C ZINC000094885400 165396825 /nfs/dbraw/zinc/39/68/25/165396825.db2.gz UBXCCMSLJLNKDC-ZIAGYGMSSA-N 1 0 264.438 3.115 10 0 CGAERO C[C@@H]([NH2+]CC[C@@H]1c2ccccc2NC1=O)C(C)(C)C ZINC000180386668 165655006 /nfs/dbraw/zinc/65/50/06/165655006.db2.gz PFMFUSVNLDHVOP-DGCLKSJQSA-N 1 0 260.381 3.137 10 0 CGAERO CCO[C@H]1C[C@@H]([NH2+]CC2(C3CC3)CCC2)C12CCOCC2 ZINC000186429444 165753036 /nfs/dbraw/zinc/75/30/36/165753036.db2.gz WWHYHFPTHQIYKJ-CVEARBPZSA-N 1 0 293.451 3.131 10 0 CGAERO CCN1CCC[C@H]([NH2+][C@H](C)c2ccc(C)s2)C1 ZINC000249613787 165795543 /nfs/dbraw/zinc/79/55/43/165795543.db2.gz MMHJVNMNKNMTRL-OLZOCXBDSA-N 1 0 252.427 3.191 10 0 CGAERO Cc1ccc(C)c([C@H](C)N(C)C(=O)C[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000261724848 165829323 /nfs/dbraw/zinc/82/93/23/165829323.db2.gz KLBDDNAIJPKCQI-YQQAZPJKSA-N 1 0 288.435 3.340 10 0 CGAERO CC[C@@H](CC1CCCCC1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000114328126 287150695 /nfs/dbraw/zinc/15/06/95/287150695.db2.gz NDOQQQIZDFLFBX-JKSUJKDBSA-N 1 0 280.456 3.146 10 0 CGAERO CC[C@H](CC1CCCCC1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000114328129 287150886 /nfs/dbraw/zinc/15/08/86/287150886.db2.gz NDOQQQIZDFLFBX-HZPDHXFCSA-N 1 0 280.456 3.146 10 0 CGAERO CCCCC[N@@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121191503 287194586 /nfs/dbraw/zinc/19/45/86/287194586.db2.gz MHVZIJKEXXKPQW-IUODEOHRSA-N 1 0 269.335 3.263 10 0 CGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N([C@H](C)C(C)C)C1CC1 ZINC000121654998 287201869 /nfs/dbraw/zinc/20/18/69/287201869.db2.gz IGNHEQBPWUDGOW-HUUCEWRRSA-N 1 0 297.487 3.181 10 0 CGAERO Cc1cnn(CC[NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)c1 ZINC000123481386 287220690 /nfs/dbraw/zinc/22/06/90/287220690.db2.gz XDGUCMCJQRQZHF-SJORKVTESA-N 1 0 283.419 3.363 10 0 CGAERO O[C@@H]1CCC[NH2+][C@H]1[C@@H](c1ccccc1)C1CCCCC1 ZINC000003622488 169903881 /nfs/dbraw/zinc/90/38/81/169903881.db2.gz LDUBLCJVDIXHKE-FGTMMUONSA-N 1 0 273.420 3.463 10 0 CGAERO CC(C)(C)[NH+]1CCC2(CN=C(c3ccccc3)O2)CC1 ZINC000005284007 170082908 /nfs/dbraw/zinc/08/29/08/170082908.db2.gz KLCYNUFRTLLGDQ-UHFFFAOYSA-N 1 0 272.392 3.097 10 0 CGAERO CCC[C@H](C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000124551623 287234763 /nfs/dbraw/zinc/23/47/63/287234763.db2.gz YXZZGZKJNDJHTH-JONQDZQNSA-N 1 0 253.430 3.438 10 0 CGAERO CC1CC[NH+](C[C@H](N)c2cc3ccccc3o2)CC1 ZINC000019281698 170771954 /nfs/dbraw/zinc/77/19/54/170771954.db2.gz OBRGDXJVZNXNCJ-AWEZNQCLSA-N 1 0 258.365 3.165 10 0 CGAERO [NH3+][C@H](CC(=O)Nc1ccc(F)c(F)c1F)c1ccccc1 ZINC000019427842 170795983 /nfs/dbraw/zinc/79/59/83/170795983.db2.gz VGSSZLLAJRTQNS-LLVKDONJSA-N 1 0 294.276 3.133 10 0 CGAERO Cc1cc(C)c(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c(C)c1 ZINC000019482072 170810203 /nfs/dbraw/zinc/81/02/03/170810203.db2.gz IWRVIXKKSIQJDD-JYJNAYRXSA-N 1 0 286.419 3.471 10 0 CGAERO Cc1cccc(COc2ccc(CCC[NH3+])cc2)c1 ZINC000019787639 170866232 /nfs/dbraw/zinc/86/62/32/170866232.db2.gz BDLVHCMNQRZIHG-UHFFFAOYSA-N 1 0 255.361 3.465 10 0 CGAERO Cc1ccc(OCc2ccc(C(N)=[NH2+])cc2F)cc1C ZINC000019808674 170877566 /nfs/dbraw/zinc/87/75/66/170877566.db2.gz JQPHBIDRWCCIRR-UHFFFAOYSA-N 1 0 272.323 3.306 10 0 CGAERO CC[NH+](CC)CCNc1cc(Cl)ccc1OC ZINC000020048746 170979040 /nfs/dbraw/zinc/97/90/40/170979040.db2.gz OHIBUPXVHYOUTK-UHFFFAOYSA-N 1 0 256.777 3.102 10 0 CGAERO C[NH+](C)Cc1ccccc1CNCc1c(F)cccc1F ZINC000020128561 171015391 /nfs/dbraw/zinc/01/53/91/171015391.db2.gz HKBZIIHQUGAZBX-UHFFFAOYSA-N 1 0 290.357 3.316 10 0 CGAERO CC(C)[C@@H](CN[C@@H](C)c1c(F)cccc1F)[NH+](C)C ZINC000020145617 171030726 /nfs/dbraw/zinc/03/07/26/171030726.db2.gz QTHWOHMLRDAUNE-SMDDNHRTSA-N 1 0 270.367 3.202 10 0 CGAERO [NH3+]CCc1sc(-c2ccncc2)nc1-c1ccccc1 ZINC000020184404 171047305 /nfs/dbraw/zinc/04/73/05/171047305.db2.gz MKNOPADLGDPOJZ-UHFFFAOYSA-N 1 0 281.384 3.373 10 0 CGAERO CC(C)[C@H]1CC[C@H](C)C[C@@H]1[NH2+]Cc1nnc2ccccn21 ZINC000020185332 171049126 /nfs/dbraw/zinc/04/91/26/171049126.db2.gz MOSTUMYJINBZOS-ZNMIVQPWSA-N 1 0 286.423 3.280 10 0 CGAERO CC[N@H+](CCc1ccccc1N)Cc1ccccc1 ZINC000020191922 171058267 /nfs/dbraw/zinc/05/82/67/171058267.db2.gz HDFHMHBQGGHOKD-UHFFFAOYSA-N 1 0 254.377 3.333 10 0 CGAERO CC[C@@H]([NH2+]CCCOC(C)C)c1ccc(O)cc1 ZINC000020198086 171061694 /nfs/dbraw/zinc/06/16/94/171061694.db2.gz AUDSADQPCCTFRC-OAHLLOKOSA-N 1 0 251.370 3.248 10 0 CGAERO COc1cccc(CN(CCC[NH3+])c2ccccc2)c1 ZINC000020236893 171096387 /nfs/dbraw/zinc/09/63/87/171096387.db2.gz OSUSAXKMGQNLBZ-UHFFFAOYSA-N 1 0 270.376 3.051 10 0 CGAERO Cc1ccsc1[C@H](CN)[NH+]1CCCCCCC1 ZINC000020265216 171122310 /nfs/dbraw/zinc/12/23/10/171122310.db2.gz PMKVSPADDCFNFC-ZDUSSCGKSA-N 1 0 252.427 3.322 10 0 CGAERO CCC[C@@H](C)NC(=O)[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000020366122 171164633 /nfs/dbraw/zinc/16/46/33/171164633.db2.gz VCEUCPHCRDUFOI-UXXRCYHCSA-N 1 0 268.445 3.094 10 0 CGAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C ZINC000020366130 171164856 /nfs/dbraw/zinc/16/48/56/171164856.db2.gz FXQNEWUDDKKINZ-RQJABVFESA-N 1 0 268.445 3.094 10 0 CGAERO [NH3+][C@H](Cc1ccc(O)cc1)c1nc2cc(Cl)ccc2[nH]1 ZINC000020374753 171169969 /nfs/dbraw/zinc/16/99/69/171169969.db2.gz SAFQQVPNYNWUMH-GFCCVEGCSA-N 1 0 287.750 3.164 10 0 CGAERO CC[C@@H]([NH3+])c1ccccc1O[C@H](C)C(=O)NCCC(C)C ZINC000020419908 171185248 /nfs/dbraw/zinc/18/52/48/171185248.db2.gz DMESSJJTTZNGHD-UKRRQHHQSA-N 1 0 292.423 3.026 10 0 CGAERO Cc1cc([C@H]([NH3+])[C@H]2Cc3ccccc3O2)c(C)s1 ZINC000020431443 171196091 /nfs/dbraw/zinc/19/60/91/171196091.db2.gz CFYLNCUWSZIAAO-CABCVRRESA-N 1 0 259.374 3.368 10 0 CGAERO Cc1nn(C)c(Oc2ccc(Cl)cc2Cl)c1C[NH3+] ZINC000020470301 171212184 /nfs/dbraw/zinc/21/21/84/171212184.db2.gz ZJNBQHPLYDWLDG-UHFFFAOYSA-N 1 0 286.162 3.286 10 0 CGAERO Cn1cc(CN2CCC[C@H]([NH+]3CCCC3)C2)c2ccccc21 ZINC000020514366 171231772 /nfs/dbraw/zinc/23/17/72/171231772.db2.gz GAHOGQPLRJFDOI-KRWDZBQOSA-N 1 0 297.446 3.239 10 0 CGAERO Cc1cc2ncc([C@H](C)[NH2+][C@@H](C)C(C)C)c(C)n2n1 ZINC000020522538 171235681 /nfs/dbraw/zinc/23/56/81/171235681.db2.gz RQLDTXAMQVACGP-RYUDHWBXSA-N 1 0 260.385 3.041 10 0 CGAERO C[NH2+]CCOc1cc2sc(C)nc2c2sccc21 ZINC000020525054 171238162 /nfs/dbraw/zinc/23/81/62/171238162.db2.gz FRECGQHAQAALNL-UHFFFAOYSA-N 1 0 278.402 3.418 10 0 CGAERO Cc1n[nH]c(CCC[N@@H+]2CCC[C@H]2c2ccc(F)cc2)n1 ZINC000020861677 171276469 /nfs/dbraw/zinc/27/64/69/171276469.db2.gz MITNTPQWIGQYGX-HNNXBMFYSA-N 1 0 288.370 3.022 10 0 CGAERO CCCOc1ccc(C[NH2+]CC)cc1Br ZINC000020925920 171280340 /nfs/dbraw/zinc/28/03/40/171280340.db2.gz BQEFDTUWDLGAAG-UHFFFAOYSA-N 1 0 272.186 3.347 10 0 CGAERO CCCOc1ccc(Cl)cc1C[NH2+]C[C@H]1CCCO1 ZINC000020928800 171280516 /nfs/dbraw/zinc/28/05/16/171280516.db2.gz VRIINKYTYJWLAK-CQSZACIVSA-N 1 0 283.799 3.397 10 0 CGAERO Clc1ccc(C[NH2+]C[C@@H]2COc3ccccc3O2)cc1 ZINC000021026495 171291392 /nfs/dbraw/zinc/29/13/92/171291392.db2.gz VKCATXZEYBQGIR-CQSZACIVSA-N 1 0 289.762 3.270 10 0 CGAERO Cc1cc(N)ccc1NC(=O)CCC[NH+]1CCCCCC1 ZINC000022153534 171360944 /nfs/dbraw/zinc/36/09/44/171360944.db2.gz UUUQMEBHCJXMRX-UHFFFAOYSA-N 1 0 289.423 3.172 10 0 CGAERO C[C@H](C(=O)Nc1ccc(Cl)c(N)c1)[NH+]1CCCCCC1 ZINC000022154590 171361369 /nfs/dbraw/zinc/36/13/69/171361369.db2.gz XQDIASSADIZUKY-LLVKDONJSA-N 1 0 295.814 3.125 10 0 CGAERO CCC[NH+](CCC)[C@H](C)C(=O)Nc1cc(N)ccc1C ZINC000022156383 171362390 /nfs/dbraw/zinc/36/23/90/171362390.db2.gz XAGQVHVQAMBSED-CYBMUJFWSA-N 1 0 277.412 3.026 10 0 CGAERO C[C@H]1CCCCN1[C@@H](C[NH3+])c1ccc(OC(F)F)cc1 ZINC000022213853 171374848 /nfs/dbraw/zinc/37/48/48/171374848.db2.gz OHMDMONEWHZNTG-FZMZJTMJSA-N 1 0 284.350 3.162 10 0 CGAERO C[C@@H]([NH3+])c1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000022221384 171378167 /nfs/dbraw/zinc/37/81/67/171378167.db2.gz KNNODMYZSPLMEU-SNVBAGLBSA-N 1 0 258.296 3.098 10 0 CGAERO CCC[NH+](CCC)[C@H](C)[C@H](N)c1ccc(OC)cc1 ZINC000022564325 171391796 /nfs/dbraw/zinc/39/17/96/171391796.db2.gz KSSWDBXMGVJCNF-CJNGLKHVSA-N 1 0 264.413 3.206 10 0 CGAERO O[C@@H]1CCC[C@](c2ccccc2)([NH+]2CCCCC2)C1 ZINC000027432419 171517113 /nfs/dbraw/zinc/51/71/13/171517113.db2.gz NHEKQIGDKRYTQF-SJORKVTESA-N 1 0 259.393 3.303 10 0 CGAERO CC[NH2+]Cc1ccc(OCCC(C)C)c(OC)c1 ZINC000034652222 171847751 /nfs/dbraw/zinc/84/77/51/171847751.db2.gz USSUSFLPYLFEKC-UHFFFAOYSA-N 1 0 251.370 3.230 10 0 CGAERO CCC[C@@H]([NH2+][C@H](C)C(=O)N(CC)CC)c1ccccc1 ZINC000035224752 172069827 /nfs/dbraw/zinc/06/98/27/172069827.db2.gz RNFLXZPDRSNLOW-GDBMZVCRSA-N 1 0 276.424 3.374 10 0 CGAERO CCCC[NH2+][C@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000035273289 172093326 /nfs/dbraw/zinc/09/33/26/172093326.db2.gz GWEJPZMBJZTIMA-QWRGUYRKSA-N 1 0 253.308 3.266 10 0 CGAERO CSCCC[NH2+][C@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000035273301 172093367 /nfs/dbraw/zinc/09/33/67/172093367.db2.gz SZAJPOKEVMIFCJ-QWRGUYRKSA-N 1 0 285.375 3.219 10 0 CGAERO Cc1ccccc1[C@H]1C[NH2+]C[C@H](c2ccccc2)O1 ZINC000035285381 172103263 /nfs/dbraw/zinc/10/32/63/172103263.db2.gz SJPYRTOGODBZMQ-IAGOWNOFSA-N 1 0 253.345 3.397 10 0 CGAERO [NH3+][C@H](c1ccoc1)c1ccc(Br)cc1 ZINC000035379575 172162354 /nfs/dbraw/zinc/16/23/54/172162354.db2.gz HRANFBPTFJVPLW-NSHDSACASA-N 1 0 252.111 3.090 10 0 CGAERO COc1ccc([C@H]([NH3+])c2occc2C)cc1Br ZINC000035381659 172164448 /nfs/dbraw/zinc/16/44/48/172164448.db2.gz GVHXAOYUSRKOJQ-LBPRGKRZSA-N 1 0 296.164 3.407 10 0 CGAERO Cc1ccsc1[C@@H]([NH3+])c1cnn(-c2ccccc2)c1 ZINC000035381926 172164469 /nfs/dbraw/zinc/16/44/69/172164469.db2.gz AAFAWLNWLMHBTB-AWEZNQCLSA-N 1 0 269.373 3.290 10 0 CGAERO COc1ccc([C@@H]([NH3+])c2ccc(C)c(C)c2)cc1F ZINC000035424084 172192952 /nfs/dbraw/zinc/19/29/52/172192952.db2.gz MAMYIEKXBGRWRY-INIZCTEOSA-N 1 0 259.324 3.499 10 0 CGAERO CCC(CC)[C@@H]([NH2+]C)c1ccc(OC)c(OC)c1 ZINC000035463490 172211594 /nfs/dbraw/zinc/21/15/94/172211594.db2.gz MYDUGUXRRJEFAA-OAHLLOKOSA-N 1 0 251.370 3.401 10 0 CGAERO C[NH2+][C@@H](c1cc2c(cc1Cl)OCCO2)C(C)(C)C ZINC000035501343 172235854 /nfs/dbraw/zinc/23/58/54/172235854.db2.gz PVDBOZSBTJCTHF-ZDUSSCGKSA-N 1 0 269.772 3.418 10 0 CGAERO C[NH2+][C@@H](c1ccoc1C)c1ccc2c(c1)C[C@@H](C)O2 ZINC000035504460 172238450 /nfs/dbraw/zinc/23/84/50/172238450.db2.gz CWTCJCSPFSVUJJ-QLJPJBMISA-N 1 0 257.333 3.220 10 0 CGAERO CC[NH2+][C@@H](c1cc(OC)ccc1OC)C(C)(C)C ZINC000035541421 172249022 /nfs/dbraw/zinc/24/90/22/172249022.db2.gz LAARMVSNNCZJLW-AWEZNQCLSA-N 1 0 251.370 3.401 10 0 CGAERO CC[NH2+][C@H](c1cnn(C)c1)c1ccc(C(C)C)cc1 ZINC000035555736 172262037 /nfs/dbraw/zinc/26/20/37/172262037.db2.gz CQHXGFIEXFCLAR-INIZCTEOSA-N 1 0 257.381 3.242 10 0 CGAERO CC[NH2+][C@@H](c1cc(OC)c(OC)cc1Cl)C1CC1 ZINC000035557598 172263427 /nfs/dbraw/zinc/26/34/27/172263427.db2.gz ZIAVTOBTEVZYLD-CQSZACIVSA-N 1 0 269.772 3.418 10 0 CGAERO CC[NH2+][C@@H](Cc1ncc[nH]1)c1ccc(F)cc1Cl ZINC000035570288 172266409 /nfs/dbraw/zinc/26/64/09/172266409.db2.gz DEEWHDOGQALMHZ-LBPRGKRZSA-N 1 0 267.735 3.096 10 0 CGAERO CCC[NH2+][C@H](c1cc(F)ccc1F)[C@@H]1CCCO1 ZINC000035580301 172276547 /nfs/dbraw/zinc/27/65/47/172276547.db2.gz NILNWONGEGAULY-UONOGXRCSA-N 1 0 255.308 3.185 10 0 CGAERO CCC[NH2+][C@@H](Cc1ncc[nH]1)c1ccccc1Cl ZINC000035586353 172285980 /nfs/dbraw/zinc/28/59/80/172285980.db2.gz USOJIUDAEFHPCQ-ZDUSSCGKSA-N 1 0 263.772 3.347 10 0 CGAERO CCC(C)(C)NC(=O)[C@H](C)Oc1ccc(C)cc1[C@@H](C)[NH3+] ZINC000035629279 172308841 /nfs/dbraw/zinc/30/88/41/172308841.db2.gz VXDHXNOTLIFZNZ-OLZOCXBDSA-N 1 0 292.423 3.087 10 0 CGAERO C[NH2+][C@H](C)c1ccccc1NC(=O)c1ccccc1 ZINC000035643061 172320585 /nfs/dbraw/zinc/32/05/85/172320585.db2.gz IABRRLSVEQOCDF-GFCCVEGCSA-N 1 0 254.333 3.219 10 0 CGAERO CCC[C@@H]1CC[C@@H](C[NH3+])[C@H](Sc2ncccn2)C1 ZINC000035722219 172377673 /nfs/dbraw/zinc/37/76/73/172377673.db2.gz GBOBYMAEKAJRLH-FRRDWIJNSA-N 1 0 265.426 3.112 10 0 CGAERO CCN(C[C@@H]([NH3+])c1cccc(C(F)(F)F)c1)C1CC1 ZINC000037079945 172937144 /nfs/dbraw/zinc/93/71/44/172937144.db2.gz LHWKKHJGPNHNHW-CYBMUJFWSA-N 1 0 272.314 3.190 10 0 CGAERO [NH3+]C[C@H](Oc1cc(Cl)ccc1Cl)C(F)(F)F ZINC000037169927 173004344 /nfs/dbraw/zinc/00/43/44/173004344.db2.gz QDOIUBFOSWRERR-QMMMGPOBSA-N 1 0 274.069 3.262 10 0 CGAERO [NH3+]C[C@@H](Oc1cc(Cl)ccc1Cl)C(F)(F)F ZINC000037169928 173004610 /nfs/dbraw/zinc/00/46/10/173004610.db2.gz QDOIUBFOSWRERR-MRVPVSSYSA-N 1 0 274.069 3.262 10 0 CGAERO CC[C@H]1CCC[N@@H+]([C@@H](CN)c2ccc(C)c(C)c2)C1 ZINC000037180164 173013153 /nfs/dbraw/zinc/01/31/53/173013153.db2.gz RZXXDJXPQMQYDR-RDJZCZTQSA-N 1 0 260.425 3.425 10 0 CGAERO Cn1ccnc1[C@H]([NH2+]C1CCCCC1)c1cccs1 ZINC000037185965 173017226 /nfs/dbraw/zinc/01/72/26/173017226.db2.gz OJCBTBDKLYWUFQ-CQSZACIVSA-N 1 0 275.421 3.493 10 0 CGAERO Cc1ccc2c(c1)nc(C1CC[NH2+]CC1)n2C(C)C ZINC000037438558 173208499 /nfs/dbraw/zinc/20/84/99/173208499.db2.gz SCPGWAONTRWGBF-UHFFFAOYSA-N 1 0 257.381 3.393 10 0 CGAERO CCCn1c2ccc(F)cc2nc1[C@H]1CCC[NH2+]C1 ZINC000037439519 173209494 /nfs/dbraw/zinc/20/94/94/173209494.db2.gz NVSDZMCKHZJAEJ-NSHDSACASA-N 1 0 261.344 3.052 10 0 CGAERO CCCn1c2ccc(Br)cc2nc1CCC[NH3+] ZINC000037441663 173211208 /nfs/dbraw/zinc/21/12/08/173211208.db2.gz AUBHFDIYMKWYLK-UHFFFAOYSA-N 1 0 296.212 3.100 10 0 CGAERO C[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000037648324 173598040 /nfs/dbraw/zinc/59/80/40/173598040.db2.gz MOSCCWANRMNFPM-AVGNSLFASA-N 1 0 278.362 3.039 10 0 CGAERO CCCCOc1c(Cl)cc(C[C@H](C)[NH3+])cc1OC ZINC000037722935 173641649 /nfs/dbraw/zinc/64/16/49/173641649.db2.gz QDMYCYHFEJAQIN-JTQLQIEISA-N 1 0 271.788 3.417 10 0 CGAERO C[C@@H]([NH3+])Cc1nc(-c2cc(F)c(Cl)cc2Cl)c[nH]1 ZINC000037735252 173654884 /nfs/dbraw/zinc/65/48/84/173654884.db2.gz IVRHNHZZIKBZDK-ZCFIWIBFSA-N 1 0 288.153 3.412 10 0 CGAERO C[C@@H](Cc1ccccc1Cl)[NH2+][C@@H](C)c1cc[nH]n1 ZINC000037907279 173840189 /nfs/dbraw/zinc/84/01/89/173840189.db2.gz IWQSCMQVGDRXTG-QWRGUYRKSA-N 1 0 263.772 3.345 10 0 CGAERO [NH3+]CCN(Cc1ccccc1)c1ncccc1C(F)(F)F ZINC000038033122 174030014 /nfs/dbraw/zinc/03/00/14/174030014.db2.gz HYEYYGZKUSPKFF-UHFFFAOYSA-N 1 0 295.308 3.066 10 0 CGAERO CC[NH2+][C@@H](C)c1ccc(-n2cc(Br)cn2)cc1 ZINC000038054440 174065586 /nfs/dbraw/zinc/06/55/86/174065586.db2.gz CQHZVURSBRFYJH-JTQLQIEISA-N 1 0 294.196 3.305 10 0 CGAERO CC[C@@H](C)[NH2+][C@@](C)(C(N)=O)c1ccc(Cl)cc1Cl ZINC000038065494 174076237 /nfs/dbraw/zinc/07/62/37/174076237.db2.gz WVPLQPHMQUQSEA-AMIZOPFISA-N 1 0 289.206 3.082 10 0 CGAERO C[NH2+]Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000038070658 174081637 /nfs/dbraw/zinc/08/16/37/174081637.db2.gz ARYGIDLALYFMJW-UHFFFAOYSA-N 1 0 257.333 3.090 10 0 CGAERO COc1cc(C)ccc1[C@@H](C)[NH2+]CC[C@@H]1CCCO1 ZINC000038096377 174110488 /nfs/dbraw/zinc/11/04/88/174110488.db2.gz NCZBIDSSVZQHFK-KGLIPLIRSA-N 1 0 263.381 3.223 10 0 CGAERO CCCCC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C ZINC000038131449 174131467 /nfs/dbraw/zinc/13/14/67/174131467.db2.gz WPKRANGPTOGLLE-AWEZNQCLSA-N 1 0 265.397 3.415 10 0 CGAERO C[C@H](CC(=O)NCC[NH2+]C1CCCCCC1)C(C)(C)C ZINC000127473748 287288933 /nfs/dbraw/zinc/28/89/33/287288933.db2.gz UHXIOGTUDCEZMQ-CQSZACIVSA-N 1 0 282.472 3.487 10 0 CGAERO C[C@H]1CCC[C@@H](OC[C@H]([NH3+])c2ccc(F)cc2)C1 ZINC000040176557 174201585 /nfs/dbraw/zinc/20/15/85/174201585.db2.gz UTUZQKHLGYYBBE-GLQYFDAESA-N 1 0 251.345 3.421 10 0 CGAERO C[C@@H]1CCC[C@@H](OC[C@H]([NH3+])c2ccc(F)cc2)C1 ZINC000040176556 174201878 /nfs/dbraw/zinc/20/18/78/174201878.db2.gz UTUZQKHLGYYBBE-DFBGVHRSSA-N 1 0 251.345 3.421 10 0 CGAERO C[C@@H]([NH3+])CCSc1ccc(Br)cc1 ZINC000040542077 174322890 /nfs/dbraw/zinc/32/28/90/174322890.db2.gz MLNHOTRZNFYLNO-MRVPVSSYSA-N 1 0 260.200 3.279 10 0 CGAERO [NH3+]C[C@H](Sc1nc2ccccc2[nH]1)c1ccccc1 ZINC000042900308 174905358 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C[C@H]([NH3+])[C@@H](OCC(F)(F)F)c1ccccc1Cl ZINC000043053496 174960684 /nfs/dbraw/zinc/96/06/84/174960684.db2.gz PTXCREXSGREJNB-OIBJUYFYSA-N 1 0 267.678 3.307 10 0 CGAERO C[NH2+][C@H]1CCC[C@H]1Cc1sccc1Br ZINC000043676300 175088256 /nfs/dbraw/zinc/08/82/56/175088256.db2.gz MYJAPWHPEDAOER-WPRPVWTQSA-N 1 0 274.227 3.441 10 0 CGAERO CC(C)[NH2+]CCN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000043512077 175060731 /nfs/dbraw/zinc/06/07/31/175060731.db2.gz XLMGEBZHYVESBO-UHFFFAOYSA-N 1 0 274.330 3.135 10 0 CGAERO CCOc1ccccc1[C@@H](O)C[N@@H+]1CCCC[C@@H]1CC ZINC000044129072 175144729 /nfs/dbraw/zinc/14/47/29/175144729.db2.gz FQHCEVDHDQETIO-HOCLYGCPSA-N 1 0 277.408 3.383 10 0 CGAERO COc1ccc(-c2csc(C[NH2+]C(C)C)n2)cc1 ZINC000045206530 175328330 /nfs/dbraw/zinc/32/83/30/175328330.db2.gz GFFYRNRTLVWAKS-UHFFFAOYSA-N 1 0 262.378 3.317 10 0 CGAERO COc1cccc([C@H](C[NH3+])Nc2ccc(Cl)cc2)c1 ZINC000057573565 175599693 /nfs/dbraw/zinc/59/96/93/175599693.db2.gz KPXQFAONRKUAAC-HNNXBMFYSA-N 1 0 276.767 3.461 10 0 CGAERO CC(C)[C@@H]1[NH2+]CCc2c(Br)cccc21 ZINC000070821301 176007447 /nfs/dbraw/zinc/00/74/47/176007447.db2.gz YXIOKHLEZHWMQL-LBPRGKRZSA-N 1 0 254.171 3.292 10 0 CGAERO NC(=[NH2+])c1ccc(Oc2cc(F)ccc2F)c(F)c1 ZINC000071167851 176049250 /nfs/dbraw/zinc/04/92/50/176049250.db2.gz NCJXGNIRNTZPQC-UHFFFAOYSA-N 1 0 266.222 3.180 10 0 CGAERO C[C@H]([NH3+])[C@H](Oc1cc(F)ccc1F)c1ccco1 ZINC000071167192 176049363 /nfs/dbraw/zinc/04/93/63/176049363.db2.gz BXZDHHXPJSUTAP-SDBXPKJASA-N 1 0 253.248 3.025 10 0 CGAERO [NH3+]CCc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000071396790 176150477 /nfs/dbraw/zinc/15/04/77/176150477.db2.gz HUHLGGXGWOLKCZ-UHFFFAOYSA-N 1 0 275.355 3.312 10 0 CGAERO COc1cc([C@@H](CC[NH3+])C(C)C)c(OC)cc1C ZINC000071573696 176200141 /nfs/dbraw/zinc/20/01/41/176200141.db2.gz VXQMAXKYYLTLSK-LBPRGKRZSA-N 1 0 251.370 3.101 10 0 CGAERO COc1ccc([C@H](C)OCC[NH3+])cc1C(C)(C)C ZINC000071573433 176200151 /nfs/dbraw/zinc/20/01/51/176200151.db2.gz UBELKTRNFUEVLY-NSHDSACASA-N 1 0 251.370 3.029 10 0 CGAERO CC[NH2+][C@H](C)[C@@H](O)c1ccc(OC)c(C(C)(C)C)c1 ZINC000071597952 176221677 /nfs/dbraw/zinc/22/16/77/176221677.db2.gz RFIVUDBIKLJNRD-IAQYHMDHSA-N 1 0 265.397 3.024 10 0 CGAERO COc1c(C)cc(Cl)cc1[C@@H](OCC[NH3+])C1CC1 ZINC000071601098 176227531 /nfs/dbraw/zinc/22/75/31/176227531.db2.gz VPTKERXOUWMLDU-AWEZNQCLSA-N 1 0 269.772 3.083 10 0 CGAERO [NH3+][C@@H]1C[C@@H]1c1ccc(NC(=O)OCc2ccccc2)cc1 ZINC000072171000 176332894 /nfs/dbraw/zinc/33/28/94/176332894.db2.gz INASJSARAJHICW-HZPDHXFCSA-N 1 0 282.343 3.250 10 0 CGAERO Cc1[nH]nc2c1[C@H]([NH3+])C[C@@H](c1ccc(Cl)cc1)C2 ZINC000072415394 176399583 /nfs/dbraw/zinc/39/95/83/176399583.db2.gz XRVKOGFVHGFGGL-ZYHUDNBSSA-N 1 0 261.756 3.101 10 0 CGAERO Cc1ccc(Br)cc1[C@@H](C[NH3+])C1CC1 ZINC000076657890 177047262 /nfs/dbraw/zinc/04/72/62/177047262.db2.gz NKWDXJHLRHLFJU-LBPRGKRZSA-N 1 0 254.171 3.210 10 0 CGAERO COc1ccc(CC[C@@H](C[NH3+])c2ccccc2)cc1 ZINC000076660194 177048372 /nfs/dbraw/zinc/04/83/72/177048372.db2.gz LMZLCNUSMUPKLX-INIZCTEOSA-N 1 0 255.361 3.370 10 0 CGAERO COc1ccc(C[C@H](CC[NH3+])c2ccccc2)cc1 ZINC000076660465 177048804 /nfs/dbraw/zinc/04/88/04/177048804.db2.gz TUNBEXVAKQDECN-INIZCTEOSA-N 1 0 255.361 3.370 10 0 CGAERO COc1ccc(C[C@@H](CC[NH3+])c2cccs2)cc1 ZINC000076673070 177054653 /nfs/dbraw/zinc/05/46/53/177054653.db2.gz ROPHPGMLWQTFPS-CYBMUJFWSA-N 1 0 261.390 3.432 10 0 CGAERO COc1ccc(CC[C@@H](C[NH3+])c2cccs2)cc1 ZINC000076672980 177054886 /nfs/dbraw/zinc/05/48/86/177054886.db2.gz UXAVEOXXBCRSOK-ZDUSSCGKSA-N 1 0 261.390 3.432 10 0 CGAERO CCC[C@@H](C[NH3+])CC(=O)Nc1cc(Cl)ccc1C ZINC000076705973 177065476 /nfs/dbraw/zinc/06/54/76/177065476.db2.gz IVIRCNWWJXTPHU-LLVKDONJSA-N 1 0 268.788 3.352 10 0 CGAERO CC[C@H](C[NH3+])CC(=O)Nc1ccc(C)cc1Br ZINC000076870193 177125515 /nfs/dbraw/zinc/12/55/15/177125515.db2.gz PWWAMXUMOKRTBU-JTQLQIEISA-N 1 0 299.212 3.071 10 0 CGAERO C[C@H]([NH2+]Cc1ccc(CO)o1)c1cccc(Cl)c1 ZINC000077897749 177307978 /nfs/dbraw/zinc/30/79/78/177307978.db2.gz NJQUJQQJZWXYBA-JTQLQIEISA-N 1 0 265.740 3.276 10 0 CGAERO CC(C)(C)c1ccc(-c2cnn(CCC[NH3+])c2)cc1 ZINC000049846767 416476085 /nfs/dbraw/zinc/47/60/85/416476085.db2.gz AYZQJIOQINLMKW-UHFFFAOYSA-N 1 0 257.381 3.196 10 0 CGAERO O[C@H]1CCC[C@H](C[N@H+](Cc2ccccc2)C2CC2)C1 ZINC000309798593 416529943 /nfs/dbraw/zinc/52/99/43/416529943.db2.gz REMGLNJFVLVRAB-RDJZCZTQSA-N 1 0 259.393 3.202 10 0 CGAERO COCCOCCCC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000130233946 287348399 /nfs/dbraw/zinc/34/83/99/287348399.db2.gz ZISKHBUTZJSICD-YESZJQIVSA-N 1 0 285.472 3.480 10 0 CGAERO CC(C)(C)OC(=O)[C@@]1(C[NH3+])CCCC(C)(C)CC1 ZINC000725245842 544112810 /nfs/dbraw/zinc/11/28/10/544112810.db2.gz XXLIOCDUOOCEQA-HNNXBMFYSA-N 1 0 255.402 3.264 10 0 CGAERO CC(C)C[C@H]1C[NH2+][C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000725255580 544113419 /nfs/dbraw/zinc/11/34/19/544113419.db2.gz FFJULGHQSXKWQO-CJNGLKHVSA-N 1 0 282.428 3.022 10 0 CGAERO C[C@@H]([NH2+]C1CC(CO)C1)c1cccc(Cl)c1Cl ZINC000658352761 418946992 /nfs/dbraw/zinc/94/69/92/418946992.db2.gz YLFFPJZEKYYMTI-XNWIYYODSA-N 1 0 274.191 3.415 10 0 CGAERO C[C@H]([NH2+]C1CC(CO)C1)c1cc2ccccc2s1 ZINC000658353546 418948523 /nfs/dbraw/zinc/94/85/23/418948523.db2.gz ONCATEXVEFRVLX-ZBOXLXRLSA-N 1 0 261.390 3.323 10 0 CGAERO CC[C@H]([NH2+]C)C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000662446897 419439331 /nfs/dbraw/zinc/43/93/31/419439331.db2.gz RKMUESCZMXKEKG-UFBFGSQYSA-N 1 0 289.206 3.169 10 0 CGAERO CCc1cc2c(ncnc2NCC[C@@H]([NH3+])C(C)C)s1 ZINC000663275898 419537914 /nfs/dbraw/zinc/53/79/14/419537914.db2.gz GPTMBEXEKBEGCT-GFCCVEGCSA-N 1 0 278.425 3.039 10 0 CGAERO COc1ccc(Cl)c(C[NH2+][C@@H](C)[C@@H]2CCCO2)c1 ZINC000192180677 287595816 /nfs/dbraw/zinc/59/58/16/287595816.db2.gz MMBJHMDUOLBFMG-HZMBPMFUSA-N 1 0 269.772 3.006 10 0 CGAERO COC1CC([NH2+][C@H]2c3ccccc3CCC2(C)C)C1 ZINC000221243031 261310552 /nfs/dbraw/zinc/31/05/52/261310552.db2.gz ZRCIHVLUZCZOPB-XUJLQICISA-N 1 0 259.393 3.467 10 0 CGAERO Cc1cccc(CC[C@H](C)[NH2+][C@@H](CO)CC(C)C)c1 ZINC000040776594 270030206 /nfs/dbraw/zinc/03/02/06/270030206.db2.gz ZCMJIGCZNUGNCE-DOTOQJQBSA-N 1 0 263.425 3.313 10 0 CGAERO CCn1cc([C@@H](C)[NH2+][C@H]2C[C@@H]2c2ccccc2)cn1 ZINC000044676440 270037458 /nfs/dbraw/zinc/03/74/58/270037458.db2.gz DVZVYILHDLCNOK-WQVCFCJDSA-N 1 0 255.365 3.110 10 0 CGAERO CC(C)CCN(CCC(C)C)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085367791 270043519 /nfs/dbraw/zinc/04/35/19/270043519.db2.gz IFSZZSOPJVQGGQ-HUUCEWRRSA-N 1 0 268.445 3.035 10 0 CGAERO C[C@H](O)CCC[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000227570319 270087266 /nfs/dbraw/zinc/08/72/66/270087266.db2.gz AMTZNHYTUNTUQY-BBRMVZONSA-N 1 0 261.409 3.451 10 0 CGAERO C[C@H](CC[NH2+][C@@H]1CCC[C@@H]1C)NC(=O)OC(C)(C)C ZINC000228763687 270087860 /nfs/dbraw/zinc/08/78/60/270087860.db2.gz RZDKHWVMZXSLSE-YNEHKIRRSA-N 1 0 270.417 3.068 10 0 CGAERO Cc1cnn(CC[NH2+]C2CCC(C(C)(C)C)CC2)c1 ZINC000230657305 270089012 /nfs/dbraw/zinc/08/90/12/270089012.db2.gz QKATYDUFDYLVPL-UHFFFAOYSA-N 1 0 263.429 3.386 10 0 CGAERO COc1ccc([C@@H](C)[N@@H+]2CCc3c(N)cccc3C2)cc1 ZINC000038032493 274116420 /nfs/dbraw/zinc/11/64/20/274116420.db2.gz GBSRXDPREFSJDB-CYBMUJFWSA-N 1 0 282.387 3.397 10 0 CGAERO CSC[C@@H]1C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]2[N@H+](C)C1 ZINC000033884202 274177841 /nfs/dbraw/zinc/17/78/41/274177841.db2.gz HEZLHSNBFOCKCQ-DJSGYFEHSA-N 1 0 286.444 3.491 10 0 in-vitro CGAERO C[C@@H]1CC[C@H](C[N@@H+]2C[C@H](c3ccccc3)OCC2(C)C)O1 ZINC000190508157 274317116 /nfs/dbraw/zinc/31/71/16/274317116.db2.gz DTIIOJBFRSBUGD-DJIMGWMZSA-N 1 0 289.419 3.406 10 0 CGAERO C[C@H]1[NH2+]CCC[C@@H]1NCc1c(Cl)cccc1Cl ZINC000414959378 274630860 /nfs/dbraw/zinc/63/08/60/274630860.db2.gz SZHUXPLBORAKCF-RNCFNFMXSA-N 1 0 273.207 3.224 10 0 CGAERO C[C@@H]1CCC[C@H]1CC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000248906145 287792060 /nfs/dbraw/zinc/79/20/60/287792060.db2.gz BDJXCPVLOVUOFC-HYVNUMGLSA-N 1 0 288.435 3.232 10 0 CGAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2[C@H](C)CCC[C@@H]2C)C12CCOCC2 ZINC000249013052 287796580 /nfs/dbraw/zinc/79/65/80/287796580.db2.gz PBKAKMKQBIGHEM-DMRKSPOLSA-N 1 0 295.467 3.375 10 0 CGAERO CCCCC1CCC(C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000086467749 275969525 /nfs/dbraw/zinc/96/95/25/275969525.db2.gz HUQWTRBXQJUGLE-WXLSXGNJSA-N 1 0 280.456 3.192 10 0 CGAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2cc(C)sc2C)C1 ZINC000040502552 276369456 /nfs/dbraw/zinc/36/94/56/276369456.db2.gz DRLNVAMKLOYCEF-GXTWGEPZSA-N 1 0 266.454 3.500 10 0 CGAERO CCO[C@@H]1C[C@H]([NH2+]CC2C[C@@H](C)O[C@H](C)C2)C12CCC2 ZINC000343625877 276479608 /nfs/dbraw/zinc/47/96/08/276479608.db2.gz WTTHYNLVXRWROZ-LUYZLQTOSA-N 1 0 281.440 3.127 10 0 CGAERO CC(C)CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400327560 277356661 /nfs/dbraw/zinc/35/66/61/277356661.db2.gz BXKDXDYGJZCTHN-ZIAGYGMSSA-N 1 0 284.444 3.268 10 0 CGAERO C[C@@H]1C[C@@H]([NH2+]CC2([S@@](C)=O)CCC2)CC(C)(C)C1 ZINC000393697263 288000453 /nfs/dbraw/zinc/00/04/53/288000453.db2.gz HZHGFNUOGVMIFZ-SNUQEOBHSA-N 1 0 271.470 3.092 10 0 CGAERO CC(C)c1ccsc1C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261906732 278064701 /nfs/dbraw/zinc/06/47/01/278064701.db2.gz SIMCVQSOAUBHAP-GFCCVEGCSA-N 1 0 280.437 3.071 10 0 CGAERO CSc1ccc([C@H](C)N[C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000396714399 288015837 /nfs/dbraw/zinc/01/58/37/288015837.db2.gz QSDAXUNBZJHBJM-ZOWXZIJZSA-N 1 0 264.438 3.200 10 0 CGAERO C[C@H](CCn1cccn1)[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000159197217 278176526 /nfs/dbraw/zinc/17/65/26/278176526.db2.gz XQYDUVJPDZXQBK-DYVFJYSZSA-N 1 0 287.382 3.468 10 0 CGAERO C[C@H]([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)c1csnn1 ZINC000398269640 288041898 /nfs/dbraw/zinc/04/18/98/288041898.db2.gz PAOQETDEROQQAU-VWYCJHECSA-N 1 0 253.415 3.404 10 0 CGAERO CC[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1ccsc1 ZINC000294418337 288088272 /nfs/dbraw/zinc/08/82/72/288088272.db2.gz NUUXWXLOMHYRFQ-UBHSHLNASA-N 1 0 253.411 3.340 10 0 CGAERO C[C@@H]1C[C@H]1[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000306248464 279008913 /nfs/dbraw/zinc/00/89/13/279008913.db2.gz URIPQCMNSJFUCK-FTLITQJKSA-N 1 0 272.211 3.496 10 0 CGAERO CCN1CCC[C@@H]1C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000250346807 279315073 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C[C@H]1C[C@H]([NH2+]C2CCC(CO)CC2)CC(C)(C)C1 ZINC000310688329 300520899 /nfs/dbraw/zinc/52/08/99/300520899.db2.gz QAUUQGBHYBMXIK-PPWQZUPISA-N 1 0 253.430 3.342 10 0 CGAERO C[C@H](Nc1cc(F)cc(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC000566090707 322103955 /nfs/dbraw/zinc/10/39/55/322103955.db2.gz JHWGETYGKDMAFX-VHSXEESVSA-N 1 0 256.752 3.279 10 0 CGAERO CCOc1cc(N[C@H](C)[C@H]2CCC[NH2+]C2)ccc1C ZINC000568856535 322225280 /nfs/dbraw/zinc/22/52/80/322225280.db2.gz SXAKFNGTVHAYTJ-KGLIPLIRSA-N 1 0 262.397 3.194 10 0 CGAERO CC(C)(C)OC(=O)C(C)(C)[C@H]([NH3+])c1cccc(F)c1 ZINC000536957959 330383605 /nfs/dbraw/zinc/38/36/05/330383605.db2.gz GQKBDNUTPBVSGR-GFCCVEGCSA-N 1 0 267.344 3.193 10 0 CGAERO C[C@H]1C[C@@H](c2cccc(C(=O)OC(C)(C)C)c2)C[NH2+]1 ZINC000536958962 330383891 /nfs/dbraw/zinc/38/38/91/330383891.db2.gz NBAXRWDQUWVFSM-SMDDNHRTSA-N 1 0 261.365 3.107 10 0 CGAERO C[C@@H]1C[C@H]([NH3+])c2c1c(F)ccc2C(=O)OC(C)(C)C ZINC000536958928 330383953 /nfs/dbraw/zinc/38/39/53/330383953.db2.gz IECFEFNLCCCWJW-KCJUWKMLSA-N 1 0 265.328 3.288 10 0 CGAERO CCN1CCC[C@H]([NH2+][C@H](C)c2csc(C)c2)C1 ZINC000381478697 336066054 /nfs/dbraw/zinc/06/60/54/336066054.db2.gz NGICECCBXVWXRL-OCCSQVGLSA-N 1 0 252.427 3.191 10 0 CGAERO Cc1cc(CN2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)cs1 ZINC000381739184 336072121 /nfs/dbraw/zinc/07/21/21/336072121.db2.gz LUVFCTGPKDZXKU-WFASDCNBSA-N 1 0 264.438 3.115 10 0 CGAERO C[C@@H]1[C@H](O)CCC[N@@H+]1Cc1cccc2ccccc21 ZINC000384897741 336133827 /nfs/dbraw/zinc/13/38/27/336133827.db2.gz MUVXENWODMXJHY-CXAGYDPISA-N 1 0 255.361 3.185 10 0 CGAERO CC(C)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000054594712 519724200 /nfs/dbraw/zinc/72/42/00/519724200.db2.gz GPJJTFGVGSQYRV-JQWIXIFHSA-N 1 0 255.308 3.390 10 0 CGAERO CC(C)C[NH2+]C[C@@H](C(C)C)N(C)Cc1ccccc1 ZINC000052417376 519744560 /nfs/dbraw/zinc/74/45/60/519744560.db2.gz KZBFLUKXDJNQES-KRWDZBQOSA-N 1 0 262.441 3.389 10 0 CGAERO CCC[NH2+]CC1(OC[C@@H]2CCOC2)CCCCCC1 ZINC000050501420 519911263 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CC(C)(C)CC(C)(C)NC(=O)[C@@H]1CCC[C@@H](C[NH3+])C1 ZINC000055163188 518628136 /nfs/dbraw/zinc/62/81/36/518628136.db2.gz QYAWFVVUBDPUNF-CHWSQXEVSA-N 1 0 268.445 3.083 10 0 CGAERO CC(C)(C)[NH2+]Cc1cc(Cl)cc(Cl)c1OCCO ZINC000062732873 518764456 /nfs/dbraw/zinc/76/44/56/518764456.db2.gz QIKRPBNQKZHDNR-UHFFFAOYSA-N 1 0 292.206 3.253 10 0 CGAERO CC(C)(C)c1ccc([S@](=O)C2CCC([NH3+])CC2)cc1 ZINC000055144846 519052094 /nfs/dbraw/zinc/05/20/94/519052094.db2.gz DUYGLOYZAVXUAX-TYJKZOGGSA-N 1 0 279.449 3.362 10 0 CGAERO CC(C)C[C@H]1C[NH2+]CCN1Cc1cccc(Cl)c1 ZINC000062663526 519415551 /nfs/dbraw/zinc/41/55/51/519415551.db2.gz AQFVVJRTJAXJGA-HNNXBMFYSA-N 1 0 266.816 3.160 10 0 CGAERO O[C@H]1CCCC[C@H]1C[NH2+]CCCCCOc1ccccc1 ZINC000187992970 534438862 /nfs/dbraw/zinc/43/88/62/534438862.db2.gz PKHHNWFZICIGDL-WMZOPIPTSA-N 1 0 291.435 3.376 10 0 CGAERO O[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCC[NH2+]1 ZINC000001873714 534435327 /nfs/dbraw/zinc/43/53/27/534435327.db2.gz CMHRNWKWZYVDQY-VXGBXAGGSA-N 1 0 260.164 3.169 10 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CGAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc2sccc2c1 ZINC000061291194 519907379 /nfs/dbraw/zinc/90/73/79/519907379.db2.gz VJWKPQZKYZIXSZ-UHFFFAOYSA-N 1 0 262.378 3.228 10 0 CGAERO CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cccc(Cl)c1 ZINC000054628563 519910773 /nfs/dbraw/zinc/91/07/73/519910773.db2.gz QORZYZHAQWSZCZ-MQVJKMGUSA-N 1 0 278.827 3.445 10 0 CGAERO CCC[NH2+]C[C@H](OCCOCC)c1cccc(Cl)c1 ZINC000050489586 519935264 /nfs/dbraw/zinc/93/52/64/519935264.db2.gz UQEQWKWWBGQZAS-HNNXBMFYSA-N 1 0 285.815 3.434 10 0 CGAERO CC[NH2+]C[C@H](OC[C@H]1CCOC1)c1cccc(Cl)c1 ZINC000050501647 519974105 /nfs/dbraw/zinc/97/41/05/519974105.db2.gz GECVVRBQWIQHGQ-WFASDCNBSA-N 1 0 283.799 3.044 10 0 CGAERO CC[NH2+][C@@H](c1cc(C)ccc1OCC)[C@@H]1CCOC1 ZINC000051599623 520108021 /nfs/dbraw/zinc/10/80/21/520108021.db2.gz ZCNMCGXRJPLBFE-CZUORRHYSA-N 1 0 263.381 3.081 10 0 CGAERO CC[NH2+][C@@H](c1ccc2c(c1)CCC2)[C@@H]1CCCCO1 ZINC000050962150 520111229 /nfs/dbraw/zinc/11/12/29/520111229.db2.gz ZGGNWPBYUDONAA-IRXDYDNUSA-N 1 0 259.393 3.395 10 0 CGAERO CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N1Cc2ccccc2C1 ZINC000050911174 520122567 /nfs/dbraw/zinc/12/25/67/520122567.db2.gz APAMEQUERMKUEU-XYPHTWIQSA-N 1 0 258.409 3.169 10 0 CGAERO CC[NH2+][C@H](Cc1ccncc1)c1cc(F)ccc1C ZINC000055229231 520204586 /nfs/dbraw/zinc/20/45/86/520204586.db2.gz KUZCGQZINZQMJZ-MRXNPFEDSA-N 1 0 258.340 3.422 10 0 CGAERO CC[NH2+][C@H](c1cc(F)ccc1F)[C@H]1CCCCO1 ZINC000050962007 520206143 /nfs/dbraw/zinc/20/61/43/520206143.db2.gz PAXBHNSVMNJUOK-ZIAGYGMSSA-N 1 0 255.308 3.185 10 0 CGAERO CC[NH2+][C@H](c1cnn(CC)c1)c1ccc(F)c(Cl)c1 ZINC000062792629 520211227 /nfs/dbraw/zinc/21/12/27/520211227.db2.gz AZWGSRQVUQERQT-AWEZNQCLSA-N 1 0 281.762 3.394 10 0 CGAERO CCCCCO[C@H](C[NH2+]C)c1cccc(OC)c1 ZINC000050500977 520247861 /nfs/dbraw/zinc/24/78/61/520247861.db2.gz YXNZWMFOBJAFKX-OAHLLOKOSA-N 1 0 251.370 3.163 10 0 CGAERO CCCC[N@@H+]1C[C@H](C(C)C)NC[C@@H]1Cc1ccccc1 ZINC000062668280 520598367 /nfs/dbraw/zinc/59/83/67/520598367.db2.gz RFTNTBIDZGSXAU-ZWKOTPCHSA-N 1 0 274.452 3.328 10 0 CGAERO CCOc1ccc(-c2csc(C[C@H]([NH3+])CC)n2)cc1 ZINC000054184350 520813421 /nfs/dbraw/zinc/81/34/21/520813421.db2.gz XECSSDLIGLHBKK-GFCCVEGCSA-N 1 0 276.405 3.489 10 0 CGAERO CCC[C@@](C)(CCCOCC(F)(F)F)C[NH2+]C ZINC000054656463 520908558 /nfs/dbraw/zinc/90/85/58/520908558.db2.gz QYGXHPAFJPUTTE-NSHDSACASA-N 1 0 255.324 3.371 10 0 CGAERO CCC[C@@](C)(CCOCCC(C)C)C[NH2+]CCOC ZINC000054657557 520909775 /nfs/dbraw/zinc/90/97/75/520909775.db2.gz JOQQDYJTPODDPB-INIZCTEOSA-N 1 0 273.461 3.482 10 0 CGAERO CCC[C@](C)(CCCOCC(F)(F)F)C[NH2+]C ZINC000054656465 521267214 /nfs/dbraw/zinc/26/72/14/521267214.db2.gz QYGXHPAFJPUTTE-LLVKDONJSA-N 1 0 255.324 3.371 10 0 CGAERO CCC[N@H+](CC1CC1)[C@@H]1C[C@H](C(C)C)CC[C@@H]1N ZINC000054555442 521627506 /nfs/dbraw/zinc/62/75/06/521627506.db2.gz RSIFNGIUWNHMFG-OWCLPIDISA-N 1 0 252.446 3.260 10 0 CGAERO CC[N@@H+]1CCC[C@H](Nc2nnc(-c3ccccc3)s2)C1 ZINC000112075790 521650822 /nfs/dbraw/zinc/65/08/22/521650822.db2.gz MODUHYKMUNWSSM-ZDUSSCGKSA-N 1 0 288.420 3.101 10 0 CGAERO CCCn1cc([C@H]([NH3+])Cc2ccc(C)c(C)c2)cn1 ZINC000061681575 521655981 /nfs/dbraw/zinc/65/59/81/521655981.db2.gz YASUYKXDLCQRLS-MRXNPFEDSA-N 1 0 257.381 3.152 10 0 CGAERO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2c1ccc(C)cc1C ZINC000054601467 521955895 /nfs/dbraw/zinc/95/58/95/521955895.db2.gz AWHFWQNQCFHSCL-MQVJKMGUSA-N 1 0 258.409 3.413 10 0 CGAERO C[NH2+]CC1(Cc2ccc(C(C)C)cc2)CCOCC1 ZINC000061674044 521971232 /nfs/dbraw/zinc/97/12/32/521971232.db2.gz XWOCORYAVZBRFS-UHFFFAOYSA-N 1 0 261.409 3.369 10 0 CGAERO C[NH2+]CCC[C@H](C)Oc1cccc2c1OC(C)(C)C2 ZINC000052654410 521999962 /nfs/dbraw/zinc/99/99/62/521999962.db2.gz QYYKMFHIUQHRET-LBPRGKRZSA-N 1 0 263.381 3.167 10 0 CGAERO C[NH2+]Cc1cc(CO[C@H]2CCCC[C@H]2C)oc1C ZINC000052620125 522111726 /nfs/dbraw/zinc/11/17/26/522111726.db2.gz SMEHYIJDNVNVAI-ABAIWWIYSA-N 1 0 251.370 3.403 10 0 CGAERO C[NH2+]Cc1sc(-c2ccc(C)cc2F)nc1C ZINC000052330167 522163456 /nfs/dbraw/zinc/16/34/56/522163456.db2.gz ZWNXLEJEJBZANZ-UHFFFAOYSA-N 1 0 250.342 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GDVLGSHNGLHYSH-CYBMUJFWSA-N 1 0 263.344 3.481 10 0 CGAERO CN(C(=O)Oc1ccccc1)c1ccc([C@H]2CC[NH2+]C2)cc1 ZINC000117730732 345985937 /nfs/dbraw/zinc/98/59/37/345985937.db2.gz MSPODYPAGSRWBS-HNNXBMFYSA-N 1 0 296.370 3.399 10 0 CGAERO CCc1noc(CN[C@H](C)c2ccc(CC)cc2)n1 ZINC000126271109 346023437 /nfs/dbraw/zinc/02/34/37/346023437.db2.gz IVDILISMTPRYST-LLVKDONJSA-N 1 0 259.353 3.045 10 0 CGAERO c1ccc2c(c1)CC[NH2+][C@@H]2c1cccc2ncccc21 ZINC000130142397 346054549 /nfs/dbraw/zinc/05/45/49/346054549.db2.gz JGCYWKQFLGNBRI-SFHVURJKSA-N 1 0 260.340 3.470 10 0 CGAERO c1cc([C@@H]2CC[NH2+]C[C@@H]2OCC2CCCCC2)co1 ZINC000140569562 346105312 /nfs/dbraw/zinc/10/53/12/346105312.db2.gz YHINUSVUQSDVNZ-HOTGVXAUSA-N 1 0 263.381 3.322 10 0 CGAERO [NH3+]C[C@H]1Oc2cc(F)cc(-c3cccc(Cl)c3)c2O1 ZINC000136621629 346091930 /nfs/dbraw/zinc/09/19/30/346091930.db2.gz LXZKSFWNNPQZCK-ZDUSSCGKSA-N 1 0 279.698 3.202 10 0 CGAERO C=CCNc1nc2c(C)csc2c(NNC(C)(C)C)[nH+]1 ZINC000141807470 346109047 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ZINC000217377192 346290811 /nfs/dbraw/zinc/29/08/11/346290811.db2.gz HIFAECYAJZMISZ-LBPRGKRZSA-N 1 0 284.256 3.330 10 0 CGAERO [NH3+][C@@H]1CC[C@@H](c2cccc(Br)c2F)C1 ZINC000229827951 346318376 /nfs/dbraw/zinc/31/83/76/346318376.db2.gz DUTHAALJOVPNGK-HTQZYQBOSA-N 1 0 258.134 3.183 10 0 CGAERO C[C@H]([NH3+])/C=C/c1ccc(Cl)cc1Br ZINC000231751106 346323560 /nfs/dbraw/zinc/32/35/60/346323560.db2.gz SEMMAMCVRCDIAU-AIYRYJHASA-N 1 0 260.562 3.463 10 0 CGAERO [NH3+]C[C@@H](F)c1ccc(Br)c(Cl)c1F ZINC000236263511 346339786 /nfs/dbraw/zinc/33/97/86/346339786.db2.gz TWSJRKVYMMOYSC-ZCFIWIBFSA-N 1 0 270.504 3.211 10 0 CGAERO CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000257352406 346400033 /nfs/dbraw/zinc/40/00/33/346400033.db2.gz LBPFVFCDPSQFFR-MGPQQGTHSA-N 1 0 282.428 3.294 10 0 CGAERO CC[NH2+]CCCc1c(C)[nH]c2c1cc(OC)cc2C ZINC000098160140 185694611 /nfs/dbraw/zinc/69/46/11/185694611.db2.gz FSZALBMOAJMOCL-UHFFFAOYSA-N 1 0 260.381 3.335 10 0 CGAERO CC(=[NH2+])Nc1cc(I)ccc1Cl ZINC000300906732 346438628 /nfs/dbraw/zinc/43/86/28/346438628.db2.gz OODXIGRSUMHTQH-UHFFFAOYSA-N 1 0 294.523 3.354 10 0 CGAERO Brc1csc([C@H]2[NH2+]C[C@H]2C2CC2)c1 ZINC000306812441 346457805 /nfs/dbraw/zinc/45/78/05/346457805.db2.gz ZFGGBMOEYWWYKU-WPRPVWTQSA-N 1 0 258.184 3.181 10 0 CGAERO Brc1csc([C@@H]2[NH2+]CC23CCC3)c1 ZINC000307124401 346460017 /nfs/dbraw/zinc/46/00/17/346460017.db2.gz RFOOFIPEKQMUOA-VIFPVBQESA-N 1 0 258.184 3.325 10 0 CGAERO C[C@@H]1C[C@@]2(C[N@@H+]1Cc1ccccc1)NCC[C@@H](C)S2 ZINC000307390383 346462124 /nfs/dbraw/zinc/46/21/24/346462124.db2.gz SLGAQOYARYRTSJ-IIAWOOMASA-N 1 0 276.449 3.092 10 0 CGAERO C[C@@H]1[N@H+](Cc2ccccc2)CC[C@]12N[C@H](C)CCS2 ZINC000307614779 346464044 /nfs/dbraw/zinc/46/40/44/346464044.db2.gz LUJLVGIRSOMEPO-IJEWVQPXSA-N 1 0 276.449 3.092 10 0 CGAERO C[C@@]1(C[NH3+])CC[C@@H](c2csc(Br)c2)O1 ZINC000307689296 346464828 /nfs/dbraw/zinc/46/48/28/346464828.db2.gz KBGGHFHJMNFMSH-WPRPVWTQSA-N 1 0 276.199 3.080 10 0 CGAERO [NH3+][C@@H](c1cnsc1)c1csc(Br)c1 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COc1ccc([C@@H](c2ccccc2)[C@@H]2C=CC[NH2+]2)cc1 ZINC000584619773 346694953 /nfs/dbraw/zinc/69/49/53/346694953.db2.gz NSFSEIDRMSPXSK-ZWKOTPCHSA-N 1 0 265.356 3.355 10 0 CGAERO C[N@@H+]1CC[C@](O)(c2ccccc2)[C@@]1(C)c1ccccc1 ZINC000584635303 346700275 /nfs/dbraw/zinc/70/02/75/346700275.db2.gz RZSWCQWVMNOBDB-MSOLQXFVSA-N 1 0 267.372 3.125 10 0 CGAERO CC[C@H](c1nc(-c2cc(F)ccc2C)no1)[C@@H](C)[NH3+] ZINC000104061887 185889302 /nfs/dbraw/zinc/88/93/02/185889302.db2.gz RHDZGEMRTYTCCQ-KOLCDFICSA-N 1 0 263.316 3.025 10 0 CGAERO CC[NH2+][C@H](C)[C@@H](CC)c1nc(CCC(C)C)no1 ZINC000104155119 185912993 /nfs/dbraw/zinc/91/29/93/185912993.db2.gz QKMPBCPDRSWZCQ-VXGBXAGGSA-N 1 0 253.390 3.150 10 0 CGAERO CC(C)(C)[N@@H+]1CC[C@@H](c2cc3ccccc3nn2)C1 ZINC000616614647 348846733 /nfs/dbraw/zinc/84/67/33/348846733.db2.gz UKRKNASGUXSSAV-CYBMUJFWSA-N 1 0 255.365 3.218 10 0 CGAERO NC(=O)c1ccccc1[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000616618596 348847396 /nfs/dbraw/zinc/84/73/96/348847396.db2.gz BCGHGABVSSAKFK-INIZCTEOSA-N 1 0 294.398 3.165 10 0 CGAERO CCOC(=O)c1ccc([C@@H]2CCC[N@H+](CC)C2)cc1 ZINC000616617163 348847497 /nfs/dbraw/zinc/84/74/97/348847497.db2.gz KRQJXQLMSYPATF-OAHLLOKOSA-N 1 0 261.365 3.063 10 0 CGAERO Clc1cccc(-c2cncc([C@@H]3CCC[NH2+]3)n2)c1 ZINC000616576175 348834084 /nfs/dbraw/zinc/83/40/84/348834084.db2.gz SZTSRXUDSTVYRF-LBPRGKRZSA-N 1 0 259.740 3.222 10 0 CGAERO CC(C)Oc1ccc(-c2cnc([C@H]3CCC[NH2+]3)cn2)cc1 ZINC000616577120 348834351 /nfs/dbraw/zinc/83/43/51/348834351.db2.gz FIAWBAVIZPGVEE-OAHLLOKOSA-N 1 0 283.375 3.355 10 0 CGAERO CCC(CC)[NH2+]Cc1cc2c(cc1Cl)OCO2 ZINC000616578446 348834950 /nfs/dbraw/zinc/83/49/50/348834950.db2.gz OIKRKCSFJOQYGF-UHFFFAOYSA-N 1 0 255.745 3.347 10 0 CGAERO CC[N@@H+]1CCO[C@@H](c2cc3ccccc3cn2)CC1 ZINC000616595522 348839253 /nfs/dbraw/zinc/83/92/53/348839253.db2.gz WQUVTOCWFQXXPB-MRXNPFEDSA-N 1 0 256.349 3.018 10 0 CGAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2cc3ccccc3nn2)CC1 ZINC000616594904 348839292 /nfs/dbraw/zinc/83/92/92/348839292.db2.gz ITQYPXAXJWBRSJ-MRXNPFEDSA-N 1 0 285.391 3.192 10 0 CGAERO CC(C)[N@@H+]1CCO[C@@H](c2cncc3ccccc32)CC1 ZINC000616596234 348839376 /nfs/dbraw/zinc/83/93/76/348839376.db2.gz STIITKSGOCRAPY-QGZVFWFLSA-N 1 0 270.376 3.407 10 0 CGAERO CC(C)[N@@H+]1CCOCC[C@@H]1c1ccc2ncccc2c1 ZINC000616597537 348840286 /nfs/dbraw/zinc/84/02/86/348840286.db2.gz AURDRYFESZGHLJ-QGZVFWFLSA-N 1 0 270.376 3.407 10 0 CGAERO CC(C)[N@@H+]1CCCOC[C@H]1c1ccc2ccccc2n1 ZINC000616596910 348840477 /nfs/dbraw/zinc/84/04/77/348840477.db2.gz KGPCOZRPCCTVTR-KRWDZBQOSA-N 1 0 270.376 3.407 10 0 CGAERO CC(C)(C)[N@@H+]1CCOC[C@@H](c2cncc3ccccc32)C1 ZINC000616597394 348840598 /nfs/dbraw/zinc/84/05/98/348840598.db2.gz IWMWCKPOVWGMMC-HNNXBMFYSA-N 1 0 284.403 3.449 10 0 CGAERO Nc1ccccc1[C@@H]1CCOCC[N@@H+]1Cc1ccccc1 ZINC000616597046 348840684 /nfs/dbraw/zinc/84/06/84/348840684.db2.gz AEOCWGJVFQUQOF-SFHVURJKSA-N 1 0 282.387 3.232 10 0 CGAERO CC(C)[N@@H+]1CCOCC[C@@H]1c1ccc2ccncc2c1 ZINC000616599755 348840927 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/nfs/dbraw/zinc/85/87/23/348858723.db2.gz FYMJZRYPWIJFQL-LJQANCHMSA-N 1 0 297.398 3.143 10 0 CGAERO COc1ccc([C@@H]2COCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000616661731 348859072 /nfs/dbraw/zinc/85/90/72/348859072.db2.gz XZCZFZKTTPUEJE-SFHVURJKSA-N 1 0 297.398 3.311 10 0 CGAERO [NH3+]CCN1C[C@H](c2cccc(Cl)c2)Cc2ccccc21 ZINC000616673549 348862573 /nfs/dbraw/zinc/86/25/73/348862573.db2.gz VLQXEYDEZHLSCI-OAHLLOKOSA-N 1 0 286.806 3.445 10 0 CGAERO [NH3+]CCN1C[C@H](c2cccc(Cl)c2)Nc2ccccc21 ZINC000616684698 348867129 /nfs/dbraw/zinc/86/71/29/348867129.db2.gz MSSVTYUHAKCIFH-OAHLLOKOSA-N 1 0 287.794 3.272 10 0 CGAERO CCCOc1cccc(NC(=O)c2ccc(C[NH3+])cc2)c1 ZINC000037023397 137876351 /nfs/dbraw/zinc/87/63/51/137876351.db2.gz NURYRDDHQBSAIT-UHFFFAOYSA-N 1 0 284.359 3.186 10 0 CGAERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000624258349 350011980 /nfs/dbraw/zinc/01/19/80/350011980.db2.gz HMRDDFBSAAOGPD-UONOGXRCSA-N 1 0 262.397 3.482 10 0 CGAERO CCC(CC)[C@@H](C)[NH2+]C[C@H](O)c1ccccc1F ZINC000104435973 186001496 /nfs/dbraw/zinc/00/14/96/186001496.db2.gz GTZJAJACSHMKCQ-ABAIWWIYSA-N 1 0 253.361 3.273 10 0 CGAERO C[C@@H](C[C@H]([NH3+])c1ccc2c(c1)CC(=O)N2)C(C)(C)C ZINC000104439171 186002585 /nfs/dbraw/zinc/00/25/85/186002585.db2.gz CTWVAKZDTUDLAM-GWCFXTLKSA-N 1 0 260.381 3.253 10 0 CGAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cccnc1C ZINC000122809710 187053164 /nfs/dbraw/zinc/05/31/64/187053164.db2.gz KPUNTPCCAJBRGY-MRXNPFEDSA-N 1 0 284.407 3.077 10 0 CGAERO CCc1ccc(C[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)o1 ZINC000123029552 187067094 /nfs/dbraw/zinc/06/70/94/187067094.db2.gz SKEQABWNPMRZHF-AWEZNQCLSA-N 1 0 273.380 3.184 10 0 CGAERO Cc1cnn(CC[NH2+][C@@H](C)c2sc(C(C)C)nc2C)c1 ZINC000123866096 187111954 /nfs/dbraw/zinc/11/19/54/187111954.db2.gz CXHRYAWCUHPMQQ-LBPRGKRZSA-N 1 0 292.452 3.431 10 0 CGAERO Cc1cccc(C2CC([NH2+]C[C@](C)(O)C(F)(F)F)C2)c1 ZINC000368268699 234295577 /nfs/dbraw/zinc/29/55/77/234295577.db2.gz ZTWZWRXSLLKENY-RUXDESIVSA-N 1 0 287.325 3.144 10 0 CGAERO COc1ccccc1C[C@@H]([NH2+][C@H](C)CCCO)C(C)C ZINC000168304182 188648334 /nfs/dbraw/zinc/64/83/34/188648334.db2.gz YRNNYZLUGANOEU-GDBMZVCRSA-N 1 0 279.424 3.013 10 0 CGAERO CCc1nnc(C[NH2+][C@@H](c2ccccc2)C2CCCC2)n1C ZINC000171943721 188769564 /nfs/dbraw/zinc/76/95/64/188769564.db2.gz IVHYUMAGZGWLHP-SFHVURJKSA-N 1 0 298.434 3.399 10 0 CGAERO CCc1nnc(C[NH2+][C@H](c2ccccc2)C2CCCC2)n1C ZINC000171943725 188769951 /nfs/dbraw/zinc/76/99/51/188769951.db2.gz IVHYUMAGZGWLHP-GOSISDBHSA-N 1 0 298.434 3.399 10 0 CGAERO Cc1cccc([C@@H](C)[NH2+][C@H]2CCc3nnc(C(C)C)n3C2)c1 ZINC000174030224 188879386 /nfs/dbraw/zinc/87/93/86/188879386.db2.gz DDEDWIDMWOHWOX-ZBFHGGJFSA-N 1 0 298.434 3.376 10 0 CGAERO CC(C)O[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC23CCC3)C1(C)C ZINC000328743901 202035949 /nfs/dbraw/zinc/03/59/49/202035949.db2.gz KGBGRQLEYSDFNR-BFHYXJOUSA-N 1 0 294.439 3.210 10 0 CGAERO Cc1ncccc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000091495838 138344417 /nfs/dbraw/zinc/34/44/17/138344417.db2.gz IOYCCOFVVCZBRK-UHFFFAOYSA-N 1 0 281.403 3.467 10 0 CGAERO Cc1csc(C[N@@H+]2CCC[C@@H]2COc2ccccc2)n1 ZINC000088599641 138342506 /nfs/dbraw/zinc/34/25/06/138342506.db2.gz JVTOINLGLYEZDV-CQSZACIVSA-N 1 0 288.416 3.495 10 0 CGAERO Cc1cc(C)cc(C[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000106182466 138354070 /nfs/dbraw/zinc/35/40/70/138354070.db2.gz FNFTYCQNZONPMC-UHFFFAOYSA-N 1 0 283.419 3.412 10 0 CGAERO Cc1ccc(C(=O)Nc2cccc3c2C[NH2+]CC3)c(C)c1 ZINC000123542261 138368067 /nfs/dbraw/zinc/36/80/67/138368067.db2.gz LTHDMGFWBNYGTC-UHFFFAOYSA-N 1 0 280.371 3.201 10 0 CGAERO C[C@H]([NH2+]Cc1nc(-c2ccsc2)no1)C(C)(C)C ZINC000114196117 138365104 /nfs/dbraw/zinc/36/51/04/138365104.db2.gz GHCVYWUKWMNIOD-VIFPVBQESA-N 1 0 265.382 3.322 10 0 CGAERO Cc1ccc(N[C@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000128083260 138392138 /nfs/dbraw/zinc/39/21/38/138392138.db2.gz IWRRGURSTXBYSC-SFHVURJKSA-N 1 0 281.403 3.119 10 0 CGAERO Cc1cccc(NC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)c1 ZINC000130094973 138399387 /nfs/dbraw/zinc/39/93/87/138399387.db2.gz ZHWFBJLEYBQJRM-CZUORRHYSA-N 1 0 268.360 3.270 10 0 CGAERO CC(C)[C@@H]([NH3+])CCN(C)c1nc2ccccc2s1 ZINC000133612816 138412516 /nfs/dbraw/zinc/41/25/16/138412516.db2.gz QEAKLCVPLDGTGT-NSHDSACASA-N 1 0 263.410 3.106 10 0 CGAERO C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000133630151 138412738 /nfs/dbraw/zinc/41/27/38/138412738.db2.gz SAEMLQFKONQCOF-QWHCGFSZSA-N 1 0 268.360 3.275 10 0 CGAERO C[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)C1CCCCC1 ZINC000177309466 138425885 /nfs/dbraw/zinc/42/58/85/138425885.db2.gz GXLJTZJHGHQFIP-HOCLYGCPSA-N 1 0 288.439 3.004 10 0 CGAERO COc1cc(F)cc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000245949521 138528931 /nfs/dbraw/zinc/52/89/31/138528931.db2.gz WGHGLSQDZYHLBS-ARFHVFGLSA-N 1 0 293.382 3.128 10 0 CGAERO C[C@H]1[NH2+]CCC[C@H]1c1nc(Cc2ccc(Cl)cc2)no1 ZINC000335459069 291193684 /nfs/dbraw/zinc/19/36/84/291193684.db2.gz VIDQGHCDJVOORS-ZWNOBZJWSA-N 1 0 291.782 3.169 10 0 CGAERO CCn1c2ccccc2nc1[C@@H](C)[NH2+]Cc1cccn1C ZINC000119333770 370668034 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CCN1CC[C@H]([NH2+][C@H](C)c2oc3ccccc3c2C)C1 ZINC000389258875 379895993 /nfs/dbraw/zinc/89/59/93/379895993.db2.gz OHSMOCGNSZXKIW-KGLIPLIRSA-N 1 0 272.392 3.486 10 0 CGAERO C[C@H](Nc1cccc(-c2nccs2)c1)[C@H]1CC[NH2+]C1 ZINC000400334354 379947973 /nfs/dbraw/zinc/94/79/73/379947973.db2.gz FQGFRSGQAYDFKK-AAEUAGOBSA-N 1 0 273.405 3.220 10 0 CGAERO C[C@@H](N[C@H](C)[C@@H]1CCC[NH2+]1)c1cccc(Br)c1 ZINC000400362524 379949987 /nfs/dbraw/zinc/94/99/87/379949987.db2.gz QKTIBAGCYUHIPH-GYSYKLTISA-N 1 0 297.240 3.240 10 0 CGAERO C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)c1nccs1 ZINC000283382658 380058071 /nfs/dbraw/zinc/05/80/71/380058071.db2.gz OUQCJOUPZMWIAY-WDEREUQCSA-N 1 0 299.440 3.049 10 0 CGAERO CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2cccc(C3CC3)c2)C1 ZINC000643772652 380378324 /nfs/dbraw/zinc/37/83/24/380378324.db2.gz MIAAOSUDNRPVGL-SJORKVTESA-N 1 0 297.402 3.249 10 0 CGAERO c1ccc(-c2nnc(C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)o2)cc1 ZINC000646093234 380830039 /nfs/dbraw/zinc/83/00/39/380830039.db2.gz XRCKDYLUKLAUTA-BFHYXJOUSA-N 1 0 269.348 3.015 10 0 CGAERO C[C@H]([NH2+]Cc1ccno1)C12CC3CC(CC(C3)C1)C2 ZINC000219197029 542286635 /nfs/dbraw/zinc/28/66/35/542286635.db2.gz BYDGTUWXBBFVHV-IKMFHRHGSA-N 1 0 260.381 3.369 10 0 CGAERO Cc1ccc([C@H]2C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]2)cc1 ZINC000219235437 542286891 /nfs/dbraw/zinc/28/68/91/542286891.db2.gz JFJYQLJZDQGNSY-HUUCEWRRSA-N 1 0 290.407 3.313 10 0 CGAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000219289920 542287161 /nfs/dbraw/zinc/28/71/61/542287161.db2.gz GWYCHZZYBDRZJB-ZIAGYGMSSA-N 1 0 294.370 3.144 10 0 CGAERO Cc1ccc(Cl)c(NC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000334865932 207214185 /nfs/dbraw/zinc/21/41/85/207214185.db2.gz JNXOGPNUFUQGMZ-ZDUSSCGKSA-N 1 0 295.814 3.240 10 0 CGAERO COCCc1ccc(-c2cccc3c2CC[C@H]3[NH3+])cc1 ZINC000234668298 542308678 /nfs/dbraw/zinc/30/86/78/542308678.db2.gz MMOFGFKXUBNKQU-GOSISDBHSA-N 1 0 267.372 3.489 10 0 CGAERO C[C@@H]([NH2+][C@@H](C)CN(C)Cc1ccccc1)c1ccoc1 ZINC000245864344 542324302 /nfs/dbraw/zinc/32/43/02/542324302.db2.gz IJVZPGGPGKHUSM-LSDHHAIUSA-N 1 0 272.392 3.451 10 0 CGAERO C[C@H]([NH2+][C@H]1CCCc2cc(F)ccc21)[C@@H]1CCCO1 ZINC000245983434 542324528 /nfs/dbraw/zinc/32/45/28/542324528.db2.gz BMAUFECJBPCGBG-UVBJJODRSA-N 1 0 263.356 3.360 10 0 CGAERO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccc(C)o1 ZINC000251625563 542347763 /nfs/dbraw/zinc/34/77/63/542347763.db2.gz FFOLUDIOAMEPOM-GJZGRUSLSA-N 1 0 262.397 3.037 10 0 CGAERO Cc1ccccc1[C@@H]1CCCN1C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000251185316 542345946 /nfs/dbraw/zinc/34/59/46/542345946.db2.gz XIJRMZATDDLRTI-XIRDDKMYSA-N 1 0 286.419 3.034 10 0 CGAERO Cc1cc(Cl)ccc1NC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000335252338 208031475 /nfs/dbraw/zinc/03/14/75/208031475.db2.gz NVVZTFJIGDICLI-CYBMUJFWSA-N 1 0 295.814 3.240 10 0 CGAERO Cc1ccc(NC(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)c(Cl)c1 ZINC000335271424 208072122 /nfs/dbraw/zinc/07/21/22/208072122.db2.gz IIQIHRLGTXEIRN-CYBMUJFWSA-N 1 0 295.814 3.240 10 0 CGAERO C[C@@H]([NH2+]CC1(O)CCSCC1)c1cccc(Cl)c1 ZINC000305105166 542416354 /nfs/dbraw/zinc/41/63/54/542416354.db2.gz CPIYJEWUBUSJBU-LLVKDONJSA-N 1 0 285.840 3.249 10 0 CGAERO CC(C)(C)OC[C@@H](O)C[NH2+][C@H]1CCCC12CCCCC2 ZINC000313013510 542433382 /nfs/dbraw/zinc/43/33/82/542433382.db2.gz IJZAUNJZDCRCQP-GJZGRUSLSA-N 1 0 283.456 3.255 10 0 CGAERO O[C@@H]1c2ccccc2C[C@@H]1[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000247992766 285340099 /nfs/dbraw/zinc/34/00/99/285340099.db2.gz JOIHODVKKMHBQS-OKZBNKHCSA-N 1 0 283.346 3.061 10 0 CGAERO CC(C)(C)OC(=O)N1CCC[C@@H](CCC[NH2+]C2CC2)C1 ZINC000095085009 184938683 /nfs/dbraw/zinc/93/86/83/184938683.db2.gz QBXNZFAZFFZHJV-CYBMUJFWSA-N 1 0 282.428 3.166 10 0 CGAERO O[C@]12CCCC[C@H]1C[N@H+](C[C@H]1CCC(F)(F)C1)CC2 ZINC000336797357 285379053 /nfs/dbraw/zinc/37/90/53/285379053.db2.gz WVRCIOPMSGVJBI-IHRRRGAJSA-N 1 0 273.367 3.049 10 0 CGAERO C[C@@H]([NH2+]C1CC(C)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400342560 533331131 /nfs/dbraw/zinc/33/11/31/533331131.db2.gz HFQIJZZOIIIUNA-CEUNDQEZSA-N 1 0 282.428 3.020 10 0 CGAERO CC(C)C[N@H+](C[C@@H]1CCC[C@@H](O)C1)C1CCCC1 ZINC000381050239 542596179 /nfs/dbraw/zinc/59/61/79/542596179.db2.gz YPFPCUSNERZSSD-GDBMZVCRSA-N 1 0 253.430 3.438 10 0 CGAERO CC[C@@H](NC(=O)C[C@H]1CCC[NH2+]C1)c1cccc(Cl)c1 ZINC000054306470 392090052 /nfs/dbraw/zinc/09/00/52/392090052.db2.gz WUZHLKHZMHEFFM-IUODEOHRSA-N 1 0 294.826 3.297 10 0 CGAERO C[N@H+](C[C@@H](O)COCc1ccccc1)C1CCCCCC1 ZINC000070193563 392178028 /nfs/dbraw/zinc/17/80/28/392178028.db2.gz NMJAPRUSVYYTEI-GOSISDBHSA-N 1 0 291.435 3.219 10 0 CGAERO COc1ccccc1C[C@@H](C)Nc1cnccc1C ZINC000071413771 392192119 /nfs/dbraw/zinc/19/21/19/392192119.db2.gz FFOPWLAVQXMZGI-CYBMUJFWSA-N 1 0 256.349 3.442 10 0 CGAERO CCn1cnnc1C1CC[NH+](Cc2cc(C)cc(C)c2)CC1 ZINC000105928412 392295776 /nfs/dbraw/zinc/29/57/76/392295776.db2.gz XCUZGRXAZVZSJE-UHFFFAOYSA-N 1 0 298.434 3.294 10 0 CGAERO CC(C)CC[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106160982 392297865 /nfs/dbraw/zinc/29/78/65/392297865.db2.gz SGUZNSPDODWRBT-HNNXBMFYSA-N 1 0 296.480 3.099 10 0 CGAERO CSc1nnc(CCC[NH2+]CC=C(C)C)n1CC(C)C ZINC000237292598 131021981 /nfs/dbraw/zinc/02/19/81/131021981.db2.gz SMTOTULAHGDWIF-UHFFFAOYSA-N 1 0 296.484 3.144 10 0 CGAERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1cc(F)ccc1F ZINC000248529904 131116060 /nfs/dbraw/zinc/11/60/60/131116060.db2.gz LSHVIUPRZBIIEB-PKFCDNJMSA-N 1 0 255.308 3.183 10 0 CGAERO CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2O)cc1 ZINC000250590206 131126007 /nfs/dbraw/zinc/12/60/07/131126007.db2.gz RHVZQHOHLRKOML-RRQGHBQHSA-N 1 0 277.408 3.428 10 0 CGAERO O[C@@H]1CCCC[C@@H]1[C@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000253094405 131140032 /nfs/dbraw/zinc/14/00/32/131140032.db2.gz NLLCAFVZLRHFJP-KZNAEPCWSA-N 1 0 273.420 3.245 10 0 CGAERO O[C@@H]1CCCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1F ZINC000253100600 131141450 /nfs/dbraw/zinc/14/14/50/131141450.db2.gz WMWOQUVEHSHXFM-USXIJHARSA-N 1 0 277.383 3.341 10 0 CGAERO Cc1cnn(CC[NH2+][C@H]2CC[C@@H](C)c3ccccc32)c1 ZINC000123904495 392432622 /nfs/dbraw/zinc/43/26/22/392432622.db2.gz LVWXJFIJAYHPKQ-PBHICJAKSA-N 1 0 269.392 3.420 10 0 CGAERO CC(C)CCCNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000119958850 392398345 /nfs/dbraw/zinc/39/83/45/392398345.db2.gz KNPKVWMYHBLWQH-INIZCTEOSA-N 1 0 291.439 3.025 10 0 CGAERO C[N@@H+]1CCC[C@H]1CCN1CC=C(c2cccs2)CC1 ZINC000163062342 392601249 /nfs/dbraw/zinc/60/12/49/392601249.db2.gz SLKWAQODBGICBW-HNNXBMFYSA-N 1 0 276.449 3.322 10 0 CGAERO OC[C@H]1CCCC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC000372597557 392623265 /nfs/dbraw/zinc/62/32/65/392623265.db2.gz CHKOBMSIKJVNRG-NSHDSACASA-N 1 0 271.763 3.074 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+]C1CCC(F)(F)CC1 ZINC000647287649 392639416 /nfs/dbraw/zinc/63/94/16/392639416.db2.gz OIWLXAGLADQWDO-CYBMUJFWSA-N 1 0 262.388 3.130 10 0 CGAERO C[NH2+]Cc1ncc(-c2sccc2Br)s1 ZINC000307356165 392650101 /nfs/dbraw/zinc/65/01/01/392650101.db2.gz UWMGTLLTOVNQAM-UHFFFAOYSA-N 1 0 289.223 3.354 10 0 CGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)[C@@H](C)C2 ZINC000182686572 392747989 /nfs/dbraw/zinc/74/79/89/392747989.db2.gz CGZMVSJXCXXFHI-VHSSKADRSA-N 1 0 294.398 3.045 10 0 CGAERO CC[C@H]([NH2+]CCn1cc(C)cn1)c1cc(C)ccc1OC ZINC000179452694 392702348 /nfs/dbraw/zinc/70/23/48/392702348.db2.gz YMOLDCKWPTZQNR-INIZCTEOSA-N 1 0 287.407 3.249 10 0 CGAERO COc1c(C[N@@H+]2CCC[C@H]2c2ccccc2C)c(C)nn1C ZINC000180153076 392707487 /nfs/dbraw/zinc/70/74/87/392707487.db2.gz HAEZMDOAGURIJR-KRWDZBQOSA-N 1 0 299.418 3.383 10 0 CGAERO C[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1cccc2ccccc21 ZINC000375604703 392793778 /nfs/dbraw/zinc/79/37/78/392793778.db2.gz HKLLFFAESNXSIM-BTPDRXCOSA-N 1 0 267.372 3.383 10 0 CGAERO COc1cc(CN(C)[C@H](C)C(=O)OC(C)(C)C)ccc1C ZINC000194014853 392894782 /nfs/dbraw/zinc/89/47/82/392894782.db2.gz ODOLKBGSCKFXQD-CYBMUJFWSA-N 1 0 293.407 3.166 10 0 CGAERO CCC[N@H+](C[C@H]1CCCCC1(F)F)C1CC[NH2+]CC1 ZINC000381680904 392912006 /nfs/dbraw/zinc/91/20/06/392912006.db2.gz MFACBVCOTNEJOG-CYBMUJFWSA-N 1 0 274.399 3.276 10 0 CGAERO C[C@H](c1cccs1)[N@H+](C)C[C@H]1CCC[C@H](O)C1 ZINC000383532801 392922159 /nfs/dbraw/zinc/92/21/59/392922159.db2.gz RLOUTGUJKRNPIS-AGIUHOORSA-N 1 0 253.411 3.292 10 0 CGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CC(C)(C)Oc3ccccc32)CO1 ZINC000402369844 392955504 /nfs/dbraw/zinc/95/55/04/392955504.db2.gz XXOALCFDVPYRFM-MBNYWOFBSA-N 1 0 261.365 3.056 10 0 CGAERO CCCCOC[C@@H](O)C[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000195213334 392963064 /nfs/dbraw/zinc/96/30/64/392963064.db2.gz FKETVDXSJZYTKL-WBVHZDCISA-N 1 0 293.451 3.120 10 0 CGAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1c1ccc(F)cc1C ZINC000083383607 135017527 /nfs/dbraw/zinc/01/75/27/135017527.db2.gz CWYIMMQEVOEZCN-UONOGXRCSA-N 1 0 250.361 3.101 10 0 CGAERO CC(C)[C@H]1CN(c2cccc(Cl)c2)[C@@H](C)C[NH2+]1 ZINC000083394241 135018132 /nfs/dbraw/zinc/01/81/32/135018132.db2.gz XYFAZCCNTRWXKS-SMDDNHRTSA-N 1 0 252.789 3.163 10 0 CGAERO Cc1cc(Cl)ccc1N1CC[NH2+]C[C@H]1C(C)C ZINC000083394373 135018490 /nfs/dbraw/zinc/01/84/90/135018490.db2.gz SWXOVDBAAYIRRG-AWEZNQCLSA-N 1 0 252.789 3.083 10 0 CGAERO CC[C@@H]1C[NH2+][C@H](C)CN1c1cc(C)ccc1Cl ZINC000083394313 135018574 /nfs/dbraw/zinc/01/85/74/135018574.db2.gz AIMVJLZDYMUZMU-VXGBXAGGSA-N 1 0 252.789 3.225 10 0 CGAERO CC[C@@H]1CN(c2ccc(SC)cc2)[C@@H](CC)C[NH2+]1 ZINC000083480031 135024310 /nfs/dbraw/zinc/02/43/10/135024310.db2.gz QWADIBOBIURVBJ-OLZOCXBDSA-N 1 0 264.438 3.375 10 0 CGAERO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1c1cc(F)cc(F)c1 ZINC000083510437 135025177 /nfs/dbraw/zinc/02/51/77/135025177.db2.gz CAYRTIFODMNEDJ-DZGCQCFKSA-N 1 0 268.351 3.178 10 0 CGAERO CC[C@@H]1CN(c2cc(Cl)ccc2F)[C@@H](CC)C[NH2+]1 ZINC000083518190 135026680 /nfs/dbraw/zinc/02/66/80/135026680.db2.gz UTDWDLOLUBQBLT-NEPJUHHUSA-N 1 0 270.779 3.446 10 0 CGAERO CC(C)[C@H]1CN(c2ccc(Cl)c(F)c2)[C@H](C)C[NH2+]1 ZINC000083518099 135026829 /nfs/dbraw/zinc/02/68/29/135026829.db2.gz FXNQPSRSMRJXFF-QMTHXVAHSA-N 1 0 270.779 3.302 10 0 CGAERO CC(C)[C@H]1CN(c2cc(Cl)ccc2F)[C@H](C)C[NH2+]1 ZINC000083518078 135026841 /nfs/dbraw/zinc/02/68/41/135026841.db2.gz XGVYXGHNROJWJX-ZWNOBZJWSA-N 1 0 270.779 3.302 10 0 CGAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1c1cc(Cl)ccc1F ZINC000083518193 135026849 /nfs/dbraw/zinc/02/68/49/135026849.db2.gz UTDWDLOLUBQBLT-NWDGAFQWSA-N 1 0 270.779 3.446 10 0 CGAERO CC(C)[C@H]1C[NH2+]CCN1c1ccccc1C(F)(F)F ZINC000083535440 135027228 /nfs/dbraw/zinc/02/72/28/135027228.db2.gz BYEATLIDHMPPQR-CYBMUJFWSA-N 1 0 272.314 3.140 10 0 CGAERO CC(C)[C@@H]1CN(c2cccc(Cl)c2Cl)CC[NH2+]1 ZINC000083536389 135027242 /nfs/dbraw/zinc/02/72/42/135027242.db2.gz UFWQSKMULXWGEB-NSHDSACASA-N 1 0 273.207 3.428 10 0 CGAERO Nc1ccc(C[NH3+])cc1-c1ccc(Br)cc1 ZINC000669380361 543103939 /nfs/dbraw/zinc/10/39/39/543103939.db2.gz MBQAJOWHVQJRSN-UHFFFAOYSA-N 1 0 277.165 3.157 10 0 CGAERO CC(C)(C)OC(=O)N1CCCC[C@H]2[C@@H]1C1(CCCC1)[C@H]2[NH3+] ZINC000669383866 543103958 /nfs/dbraw/zinc/10/39/58/543103958.db2.gz LTZGYQWCOIRLKA-HZSPNIEDSA-N 1 0 294.439 3.294 10 0 CGAERO OCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000250121753 296547808 /nfs/dbraw/zinc/54/78/08/296547808.db2.gz VKOBGHVFLRYSAM-VBNZEHGJSA-N 1 0 293.382 3.180 10 0 CGAERO OC[C@H]1CCCC[C@@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000123294476 296556660 /nfs/dbraw/zinc/55/66/60/296556660.db2.gz IKVYFUHEUMKYLM-XVSSEFHLSA-N 1 0 279.346 3.248 10 0 CGAERO C[C@H](NC(=O)c1ccc(C[NH3+])o1)c1ccc2c(c1)CCCC2 ZINC000176444861 397661148 /nfs/dbraw/zinc/66/11/48/397661148.db2.gz FIQPNZXPBPPADQ-LBPRGKRZSA-N 1 0 298.386 3.108 10 0 CGAERO C[C@H]([NH2+]Cc1cc[nH]n1)C12CC3CC(CC(C3)C1)C2 ZINC000036899966 397607212 /nfs/dbraw/zinc/60/72/12/397607212.db2.gz AVXQGSVOOIPKRH-IKMFHRHGSA-N 1 0 259.397 3.104 10 0 CGAERO Cc1cc(OC(C)C)ccc1NC(=O)C1CCC([NH3+])CC1 ZINC000037768577 397608299 /nfs/dbraw/zinc/60/82/99/397608299.db2.gz AWZKEXHXMYYGFH-UHFFFAOYSA-N 1 0 290.407 3.238 10 0 CGAERO CC(C)c1ccc([C@H](C)[NH2+][C@@H]2CCNC(=O)CC2)cc1 ZINC000396674593 397697569 /nfs/dbraw/zinc/69/75/69/397697569.db2.gz 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ZDOZERKRFZCPGK-HNNXBMFYSA-N 1 0 292.423 3.451 10 0 CGAERO COCC[NH2+]CCCOc1ccc(C(C)(C)C)cc1C ZINC000008734940 170352033 /nfs/dbraw/zinc/35/20/33/170352033.db2.gz DNTBZPLPBNJUFB-UHFFFAOYSA-N 1 0 279.424 3.297 10 0 CGAERO COc1ccc(Cc2nc(C)c([C@H](C)[NH3+])s2)cc1 ZINC000011850339 170446881 /nfs/dbraw/zinc/44/68/81/170446881.db2.gz LKNGKMUGDRJHRY-VIFPVBQESA-N 1 0 262.378 3.071 10 0 CGAERO CC(C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1Cl ZINC000012670684 170503505 /nfs/dbraw/zinc/50/35/05/170503505.db2.gz VVCQOTMAERGNEQ-MNOVXSKESA-N 1 0 268.788 3.301 10 0 CGAERO [NH3+]C[C@@H](c1ccccc1Cl)N1CCc2sccc2C1 ZINC000019255682 170759230 /nfs/dbraw/zinc/75/92/30/170759230.db2.gz RZKGDNMYNLGKAV-AWEZNQCLSA-N 1 0 292.835 3.460 10 0 CGAERO [NH3+]C[C@@H](Oc1ccc2c(c1)CCC2)c1ccccc1 ZINC000019670844 170835288 /nfs/dbraw/zinc/83/52/88/170835288.db2.gz AHTGGZGXUUXQIH-QGZVFWFLSA-N 1 0 253.345 3.254 10 0 CGAERO CC[NH+](CC)Cc1sc(N)nc1-c1ccccc1 ZINC000019722546 170843715 /nfs/dbraw/zinc/84/37/15/170843715.db2.gz 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/nfs/dbraw/zinc/07/19/60/171071960.db2.gz LSHVIUPRZBIIEB-RULNRJAQSA-N 1 0 255.308 3.183 10 0 CGAERO Cc1ccccc1CN(C)[C@H](C[NH3+])c1cccs1 ZINC000020225309 171087493 /nfs/dbraw/zinc/08/74/93/171087493.db2.gz MBOQIFBZVSYVNV-CQSZACIVSA-N 1 0 260.406 3.188 10 0 CGAERO CN(Cc1ccccc1Cl)[C@H](C[NH3+])c1ccco1 ZINC000020225253 171087534 /nfs/dbraw/zinc/08/75/34/171087534.db2.gz AWQZOTNJGZNYGW-CYBMUJFWSA-N 1 0 264.756 3.065 10 0 CGAERO Cc1ccccc1CN(C)[C@@H](C[NH3+])c1ccccc1F ZINC000020225594 171088699 /nfs/dbraw/zinc/08/86/99/171088699.db2.gz XMUCFMSNCVQYFW-KRWDZBQOSA-N 1 0 272.367 3.266 10 0 CGAERO CCc1ccc(CN(CC[NH3+])c2ccccc2)cc1 ZINC000020237871 171097307 /nfs/dbraw/zinc/09/73/07/171097307.db2.gz JUFUARPTWPZEFU-UHFFFAOYSA-N 1 0 254.377 3.214 10 0 CGAERO [NH3+][C@@H]1c2ccccc2CC[C@@H]1Oc1ccccc1F ZINC000020262538 171119949 /nfs/dbraw/zinc/11/99/49/171119949.db2.gz UXBCSSFCHVJIIJ-JKSUJKDBSA-N 1 0 257.308 3.219 10 0 CGAERO [NH3+][C@@H]1c2ccccc2CC[C@@H]1Oc1cccc(F)c1 ZINC000020262670 171120957 /nfs/dbraw/zinc/12/09/57/171120957.db2.gz VBBBNOXIYONXFM-JKSUJKDBSA-N 1 0 257.308 3.219 10 0 CGAERO CC[N@@H+]1CCC[C@@H](Oc2ccc(C(F)(F)F)cc2N)C1 ZINC000020352081 171156392 /nfs/dbraw/zinc/15/63/92/171156392.db2.gz KCYOPUSNECEHKZ-LLVKDONJSA-N 1 0 288.313 3.151 10 0 CGAERO Cc1cc([C@@H]([NH3+])[C@H]2Cc3ccccc3O2)c(C)s1 ZINC000020431442 171196274 /nfs/dbraw/zinc/19/62/74/171196274.db2.gz CFYLNCUWSZIAAO-HUUCEWRRSA-N 1 0 259.374 3.368 10 0 CGAERO COc1ccc(F)cc1[C@H]([NH3+])c1cccc(C)c1C ZINC000020470544 171212275 /nfs/dbraw/zinc/21/22/75/171212275.db2.gz IJVOWJNRHBIDLN-MRXNPFEDSA-N 1 0 259.324 3.499 10 0 CGAERO CCCOc1ccc(Oc2cc(C[NH3+])ccn2)cc1 ZINC000020473847 171218059 /nfs/dbraw/zinc/21/80/59/171218059.db2.gz XCQGMDAAUAXISV-UHFFFAOYSA-N 1 0 258.321 3.121 10 0 CGAERO COc1ccc([C@H]([NH3+])CC(F)(F)F)cc1Cl ZINC000020521923 171235624 /nfs/dbraw/zinc/23/56/24/171235624.db2.gz FKFODZBZTUANHZ-MRVPVSSYSA-N 1 0 253.651 3.301 10 0 CGAERO Cc1ccccc1NC(=O)N1CC[NH+](CCC(C)C)CC1 ZINC000020541367 171242114 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ZINC000022130292 171354436 /nfs/dbraw/zinc/35/44/36/171354436.db2.gz PURRPJXADLFBGP-UHFFFAOYSA-N 1 0 279.343 3.189 10 0 CGAERO C[C@H]1CCCC[N@@H+]1CCCC(=O)Nc1ccc(F)c(N)c1 ZINC000022151319 171358624 /nfs/dbraw/zinc/35/86/24/171358624.db2.gz BFNSTNRZDWGJAW-LBPRGKRZSA-N 1 0 293.386 3.001 10 0 CGAERO CC[N@H+]([C@@H](CN)c1cccs1)C1CCCCC1 ZINC000022173187 171368481 /nfs/dbraw/zinc/36/84/81/171368481.db2.gz PFJWTWBDBAFBGT-ZDUSSCGKSA-N 1 0 252.427 3.403 10 0 CGAERO Cc1ccccc1[C@@H](C[NH3+])N1CCc2ccccc21 ZINC000022209666 171373152 /nfs/dbraw/zinc/37/31/52/171373152.db2.gz OGTVILGELBMADZ-QGZVFWFLSA-N 1 0 252.361 3.058 10 0 CGAERO COc1ccc(NC(=O)Nc2ccccc2[C@H](C)[NH3+])cc1 ZINC000022210820 171373263 /nfs/dbraw/zinc/37/32/63/171373263.db2.gz ZTETVDCXQFNFLL-NSHDSACASA-N 1 0 285.347 3.359 10 0 CGAERO C[N@H+]([C@H](CN)c1cccc(F)c1)C1CCCCC1 ZINC000022212945 171374364 /nfs/dbraw/zinc/37/43/64/171374364.db2.gz NAUZHBNJVUWNMZ-OAHLLOKOSA-N 1 0 250.361 3.090 10 0 CGAERO CCOc1ccc([C@H](C[NH3+])N2CCc3ccccc32)cc1 ZINC000022214710 171375095 /nfs/dbraw/zinc/37/50/95/171375095.db2.gz MSBFEGROXBVNMQ-SFHVURJKSA-N 1 0 282.387 3.148 10 0 CGAERO CCOc1ccccc1C(=O)Nc1cccc([C@H](C)[NH3+])c1 ZINC000022218424 171376766 /nfs/dbraw/zinc/37/67/66/171376766.db2.gz WVUOKPXYAIIMEJ-LBPRGKRZSA-N 1 0 284.359 3.357 10 0 CGAERO C[C@H]1CCCN([C@@H](C[NH3+])c2cccc(Br)c2)C1 ZINC000022221846 171378168 /nfs/dbraw/zinc/37/81/68/171378168.db2.gz LJTFRZGTUAYHNR-FZMZJTMJSA-N 1 0 297.240 3.181 10 0 CGAERO C[C@H]([NH3+])c1ccccc1NC(=O)Cc1ccc(F)cc1 ZINC000022223809 171379847 /nfs/dbraw/zinc/37/98/47/171379847.db2.gz ZSYZUNDCWBMOGO-NSHDSACASA-N 1 0 272.323 3.027 10 0 CGAERO CCC[NH+](CCC)[C@H](C)[C@@H](N)c1ccc(OC)cc1 ZINC000022564315 171391947 /nfs/dbraw/zinc/39/19/47/171391947.db2.gz KSSWDBXMGVJCNF-CZUORRHYSA-N 1 0 264.413 3.206 10 0 CGAERO [NH3+][C@H]1CCCCCCCCCC[C@@H]1n1cncn1 ZINC000023070695 171410895 /nfs/dbraw/zinc/41/08/95/171410895.db2.gz BMASVTIPUBCGLU-KBPBESRZSA-N 1 0 250.390 3.061 10 0 CGAERO CCCCOCCOc1ccc([C@@H](C)[NH2+]C)cc1 ZINC000034844721 171887613 /nfs/dbraw/zinc/88/76/13/171887613.db2.gz QRFOUITYMITIOJ-CYBMUJFWSA-N 1 0 251.370 3.163 10 0 CGAERO COc1ccc(F)cc1[C@H]([NH3+])c1ccc2c(c1)CCC2 ZINC000034957101 171902575 /nfs/dbraw/zinc/90/25/75/171902575.db2.gz AVFQZGXEIBVZAV-QGZVFWFLSA-N 1 0 271.335 3.371 10 0 CGAERO CCCNC(=O)[C@@H](C)[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000035010980 171927928 /nfs/dbraw/zinc/92/79/28/171927928.db2.gz CFLWSRBJQWSHFQ-IYXRBSQSSA-N 1 0 268.445 3.096 10 0 CGAERO CCCC(CCC)C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000126428486 287264404 /nfs/dbraw/zinc/26/44/04/287264404.db2.gz ARBQEHFCQOQPRG-HNNXBMFYSA-N 1 0 268.445 3.146 10 0 CGAERO [NH3+][C@@H](c1ccc(Br)o1)c1ccc2c(c1)CCO2 ZINC000035380965 172163859 /nfs/dbraw/zinc/16/38/59/172163859.db2.gz QSCHECLLBGDATK-CYBMUJFWSA-N 1 0 294.148 3.025 10 0 CGAERO COCCc1ccc([C@H]([NH3+])c2cc(C)oc2C)cc1 ZINC000035380882 172163889 /nfs/dbraw/zinc/16/38/89/172163889.db2.gz ITIKORUWAKRFAO-INIZCTEOSA-N 1 0 259.349 3.133 10 0 CGAERO [NH3+][C@@H](c1cccs1)c1ccc2c(c1)CCCC(=O)N2 ZINC000035382324 172164122 /nfs/dbraw/zinc/16/41/22/172164122.db2.gz RGQHBKYPYVLKEI-OAHLLOKOSA-N 1 0 272.373 3.071 10 0 CGAERO C[NH2+][C@@H](c1cccs1)c1ccc(CCOC)cc1 ZINC000035467424 172216073 /nfs/dbraw/zinc/21/60/73/172216073.db2.gz FFUXCOHQJLCBGS-OAHLLOKOSA-N 1 0 261.390 3.246 10 0 CGAERO C[NH2+][C@H](c1cc2c(cc1Cl)OCCCO2)[C@H]1C[C@@H]1C ZINC000035501173 172234697 /nfs/dbraw/zinc/23/46/97/172234697.db2.gz ZLFMWDSSLSODPL-YHAQOWFVSA-N 1 0 281.783 3.418 10 0 CGAERO C[NH2+][C@H](c1cc2c(cc1Cl)OCCO2)[C@@H]1C[C@@H]1C ZINC000035501419 172235403 /nfs/dbraw/zinc/23/54/03/172235403.db2.gz AXPLGUDTYAHKPV-QIBSRJKCSA-N 1 0 267.756 3.028 10 0 CGAERO CC[C@@H](C)[C@H]([NH2+]C)c1cc2c(cc1Cl)OCCO2 ZINC000035501374 172235570 /nfs/dbraw/zinc/23/55/70/172235570.db2.gz SXCULAHCEYXLNC-OTYXRUKQSA-N 1 0 269.772 3.418 10 0 CGAERO CC[NH2+][C@H](c1ccc(OC)cc1OC)[C@H](C)CC ZINC000035546073 172254446 /nfs/dbraw/zinc/25/44/46/172254446.db2.gz MHMAKUZSNMRIBR-ABAIWWIYSA-N 1 0 251.370 3.401 10 0 CGAERO CCC[NH2+][C@H](C)c1cc2c(cc1Cl)OCCO2 ZINC000035584756 172283931 /nfs/dbraw/zinc/28/39/31/172283931.db2.gz OTDHAGRICFHFON-SECBINFHSA-N 1 0 255.745 3.172 10 0 CGAERO CCC[NH2+][C@H](c1ccc(OC)c(F)c1)[C@H]1CCCO1 ZINC000035598545 172288018 /nfs/dbraw/zinc/28/80/18/172288018.db2.gz PQYUUDKMHAJQML-HUUCEWRRSA-N 1 0 267.344 3.054 10 0 CGAERO CCC[NH2+][C@H](C)c1ccc(NC(=O)C2CCC2)cc1 ZINC000035635199 172319996 /nfs/dbraw/zinc/31/99/96/172319996.db2.gz NNKVEJGNSZGZQD-GFCCVEGCSA-N 1 0 260.381 3.486 10 0 CGAERO Cc1ccc([C@H](C[NH3+])N(C)Cc2cccs2)s1 ZINC000035717106 172371366 /nfs/dbraw/zinc/37/13/66/172371366.db2.gz JUYGKBLEAWLLIS-LBPRGKRZSA-N 1 0 266.435 3.250 10 0 CGAERO [NH3+]Cc1ccnc(Oc2cccc(Br)c2)c1 ZINC000035719817 172374364 /nfs/dbraw/zinc/37/43/64/172374364.db2.gz PURQLLSJJWAIGE-UHFFFAOYSA-N 1 0 279.137 3.095 10 0 CGAERO [NH3+]Cc1cccnc1Sc1ccc2c(c1)CCC2 ZINC000035720263 172375131 /nfs/dbraw/zinc/37/51/31/172375131.db2.gz IIKQHZKKANXMAO-UHFFFAOYSA-N 1 0 256.374 3.180 10 0 CGAERO CC[NH2+]Cc1cc(Cl)c(OCC2CC2)c(OC)c1 ZINC000036765180 172684811 /nfs/dbraw/zinc/68/48/11/172684811.db2.gz XPFOGWXJQLKEEI-UHFFFAOYSA-N 1 0 269.772 3.247 10 0 CGAERO Cc1ccc(C2CC([NH2+][C@@H](C)[C@H]3CCCO3)C2)cc1 ZINC000036845034 172747442 /nfs/dbraw/zinc/74/74/42/172747442.db2.gz CLMCLKRPJZVYGI-YJNKEBTESA-N 1 0 259.393 3.398 10 0 CGAERO Cc1nc([C@H](C)N[C@H](CC(C)C)C[NH+](C)C)c(C)s1 ZINC000037166543 173000938 /nfs/dbraw/zinc/00/09/38/173000938.db2.gz LHPPYXBGNCKDGT-SMDDNHRTSA-N 1 0 283.485 3.387 10 0 CGAERO C[N@H+]([C@@H]1CCSC1)C1(CN)CCC(C(C)(C)C)CC1 ZINC000037174595 173009715 /nfs/dbraw/zinc/00/97/15/173009715.db2.gz PFCGIIZJZSWXSM-NPCAHTBFSA-N 1 0 284.513 3.358 10 0 CGAERO Cc1csc2nc(C)c(C[NH2+]CCc3ccccc3)n12 ZINC000037202129 173025916 /nfs/dbraw/zinc/02/59/16/173025916.db2.gz WWAXCHKVSYTRNF-UHFFFAOYSA-N 1 0 285.416 3.345 10 0 CGAERO C[C@H]1CCCC[C@H]1OC(=O)Nc1ccc(C[NH3+])cc1 ZINC000037222922 173042967 /nfs/dbraw/zinc/04/29/67/173042967.db2.gz ZPMHEKCLOLYZGO-SMDDNHRTSA-N 1 0 262.353 3.273 10 0 CGAERO Cc1ccc(CN(C)c2ccc(F)cc2C[NH3+])cc1 ZINC000037236458 173054597 /nfs/dbraw/zinc/05/45/97/173054597.db2.gz JTBQRFQXFKAADH-UHFFFAOYSA-N 1 0 258.340 3.229 10 0 CGAERO CCCCc1ccc(NC(=O)C[NH2+][C@@H](C)CC)cc1 ZINC000037386427 173169949 /nfs/dbraw/zinc/16/99/49/173169949.db2.gz CNZNQHVVMGOLSX-ZDUSSCGKSA-N 1 0 262.397 3.356 10 0 CGAERO Clc1cccc(-c2noc(C[NH2+]C3CCCC3)n2)c1 ZINC000037388981 173172564 /nfs/dbraw/zinc/17/25/64/173172564.db2.gz QMQFIKCVUZOLRP-UHFFFAOYSA-N 1 0 277.755 3.422 10 0 CGAERO CC(C)n1c2ccc(F)cc2nc1[C@H]1CCC[NH2+]C1 ZINC000037439649 173209284 /nfs/dbraw/zinc/20/92/84/173209284.db2.gz VFDCGLVRFKGISM-NSHDSACASA-N 1 0 261.344 3.223 10 0 CGAERO CC(C)[C@](C)([NH3+])Cc1ccc(Br)cc1 ZINC000037463781 173225191 /nfs/dbraw/zinc/22/51/91/173225191.db2.gz UHPPLBSVPCWOJS-GFCCVEGCSA-N 1 0 256.187 3.365 10 0 CGAERO CCCn1c(CC[NH2+]C(C)C)nc2cc(F)ccc21 ZINC000037599738 173553220 /nfs/dbraw/zinc/55/32/20/173553220.db2.gz QVGYVZVZXIAACG-UHFFFAOYSA-N 1 0 263.360 3.126 10 0 CGAERO CCOC(=O)CCC[C@H]([NH3+])c1c(C)cc(C)cc1C ZINC000037636117 173584064 /nfs/dbraw/zinc/58/40/64/173584064.db2.gz WXKQDDMQXNSZCQ-AWEZNQCLSA-N 1 0 263.381 3.345 10 0 CGAERO CC[C@@H]([NH3+])c1ccc(OCc2c(C)noc2C)cc1 ZINC000037697922 173622707 /nfs/dbraw/zinc/62/27/07/173622707.db2.gz PDVHPFHGLWRHSD-OAHLLOKOSA-N 1 0 260.337 3.280 10 0 CGAERO Cc1ccccc1COc1ccc(C[C@@H](C)[NH3+])cc1 ZINC000037723618 173642683 /nfs/dbraw/zinc/64/26/83/173642683.db2.gz KLILMIDJZWUGLZ-CQSZACIVSA-N 1 0 255.361 3.464 10 0 CGAERO C[C@H](CN[C@@H](C)c1c(F)cccc1F)[NH+]1CCCCC1 ZINC000038028375 174016026 /nfs/dbraw/zinc/01/60/26/174016026.db2.gz MSGCGXDFONZFGH-OLZOCXBDSA-N 1 0 282.378 3.490 10 0 CGAERO CN(C)CC[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000038030671 174022192 /nfs/dbraw/zinc/02/21/92/174022192.db2.gz HMLORQBCVHBIAY-UHFFFAOYSA-N 1 0 260.406 3.066 10 0 CGAERO Cc1nccc(C[NH2+][C@H](c2ccc(F)cc2)C2CC2)n1 ZINC000038037792 174038584 /nfs/dbraw/zinc/03/85/84/174038584.db2.gz FWOXHHMSZULQAI-INIZCTEOSA-N 1 0 271.339 3.165 10 0 CGAERO C[C@@H](Cc1ccco1)[NH2+]C[C@@H](O)c1ccccc1Cl ZINC000038092543 174106410 /nfs/dbraw/zinc/10/64/10/174106410.db2.gz KRPLLWAYFLIPBT-XHDPSFHLSA-N 1 0 279.767 3.187 10 0 CGAERO CC[NH+]1CCC(N[C@H]2CSCc3ccccc32)CC1 ZINC000038098212 174113403 /nfs/dbraw/zinc/11/34/03/174113403.db2.gz COOLYSXRDKAWMS-INIZCTEOSA-N 1 0 276.449 3.048 10 0 CGAERO Brc1ccc2[nH]cc([C@@H]3CCC[NH2+]3)c2c1 ZINC000040538243 174321601 /nfs/dbraw/zinc/32/16/01/174321601.db2.gz OUZWLXDRBQEOKZ-NSHDSACASA-N 1 0 265.154 3.355 10 0 CGAERO CCCOc1ccc2ccccc2c1C[NH2+]C[C@H](C)O ZINC000040743868 174391399 /nfs/dbraw/zinc/39/13/99/174391399.db2.gz MUHFJILFNDJXKB-ZDUSSCGKSA-N 1 0 273.376 3.099 10 0 CGAERO CCCC[N@H+](C)C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000042245036 174664405 /nfs/dbraw/zinc/66/44/05/174664405.db2.gz RRFWZAXPARVWIK-ZDUSSCGKSA-N 1 0 275.314 3.471 10 0 CGAERO CC(C)c1ccc([C@@H](C)[NH2+]C2CCS(=O)CC2)cc1 ZINC000042336930 174689910 /nfs/dbraw/zinc/68/99/10/174689910.db2.gz BFESFUBYBKCBAB-DAIYRKSASA-N 1 0 279.449 3.372 10 0 CGAERO CCCCCC(CCCCC)[NH2+][C@H](C)C(=O)NC ZINC000042561922 174797051 /nfs/dbraw/zinc/79/70/51/174797051.db2.gz MWUSLRZGAFJWLE-CYBMUJFWSA-N 1 0 256.434 3.240 10 0 CGAERO CCCCCC[C@@](C)(CN)[N@H+](CCOC)[C@@H](C)CC ZINC000042577664 174802534 /nfs/dbraw/zinc/80/25/34/174802534.db2.gz WOWBJIYKINGIEC-HOTGVXAUSA-N 1 0 272.477 3.421 10 0 CGAERO C[NH2+][C@H](c1sccc1C)c1cc(OC)cc(OC)c1 ZINC000042729420 174858586 /nfs/dbraw/zinc/85/85/86/174858586.db2.gz GWQIPIAKATZMRT-AWEZNQCLSA-N 1 0 277.389 3.383 10 0 CGAERO CCN(CC(F)(F)F)[C@H](C[NH3+])c1ccccc1Cl ZINC000042742528 174863390 /nfs/dbraw/zinc/86/33/90/174863390.db2.gz DIOOBHCQZKPCQJ-LLVKDONJSA-N 1 0 280.721 3.224 10 0 CGAERO CC[C@H]([NH3+])[C@@H](c1ccc(C)cc1)n1nc(C)cc1C ZINC000042915861 174915814 /nfs/dbraw/zinc/91/58/14/174915814.db2.gz ALYFIAWXHQXEIZ-JKSUJKDBSA-N 1 0 257.381 3.135 10 0 CGAERO COc1ccc([C@H](C[NH3+])O[C@@H](C)CC(C)C)cc1 ZINC000042963224 174927895 /nfs/dbraw/zinc/92/78/95/174927895.db2.gz ZCYFGIIRSMJLBZ-WFASDCNBSA-N 1 0 251.370 3.146 10 0 CGAERO C[C@@H]([NH3+])[C@H](Sc1cnn(C)c1)c1cccc(Cl)c1 ZINC000043019764 174944970 /nfs/dbraw/zinc/94/49/70/174944970.db2.gz LBZVQBZYWYSLLL-RNCFNFMXSA-N 1 0 281.812 3.254 10 0 CGAERO CCCCOCCO[C@@H](c1ccccc1F)[C@H](C)[NH3+] ZINC000043048125 174957326 /nfs/dbraw/zinc/95/73/26/174957326.db2.gz YGXRPEBOFSYCDF-SWLSCSKDSA-N 1 0 269.360 3.047 10 0 CGAERO CC[C@H]([NH3+])[C@@H](SCCOC)c1ccccc1Cl ZINC000043089784 174963559 /nfs/dbraw/zinc/96/35/59/174963559.db2.gz RVMPINGKMKVPID-STQMWFEESA-N 1 0 273.829 3.498 10 0 CGAERO C[C@H]([NH3+])[C@@H](c1cccs1)N(C)Cc1cccs1 ZINC000043103724 174969047 /nfs/dbraw/zinc/96/90/47/174969047.db2.gz QYCCZBJQEPZWFK-GWCFXTLKSA-N 1 0 266.435 3.330 10 0 CGAERO CCc1c(C)nn([C@@H](c2cccs2)[C@@H](C)[NH3+])c1C ZINC000043107401 174973109 /nfs/dbraw/zinc/97/31/09/174973109.db2.gz ASAOQZUPVFVZHO-YMTOWFKASA-N 1 0 263.410 3.060 10 0 CGAERO Cc1ncsc1CCO[C@H](c1cccs1)[C@@H](C)[NH3+] ZINC000043109884 174973954 /nfs/dbraw/zinc/97/39/54/174973954.db2.gz JYFUIXFEJLGAKT-RNCFNFMXSA-N 1 0 282.434 3.161 10 0 CGAERO CCCCOCCO[C@H](c1cccs1)[C@H]([NH3+])CC ZINC000043110704 174973963 /nfs/dbraw/zinc/97/39/63/174973963.db2.gz BZDZBKCJKSAFND-OCCSQVGLSA-N 1 0 271.426 3.360 10 0 CGAERO Fc1cc(C[NH2+]Cc2ccncc2)ccc1Cl ZINC000043388531 175033243 /nfs/dbraw/zinc/03/32/43/175033243.db2.gz GYNMCHAOBCNTBG-UHFFFAOYSA-N 1 0 250.704 3.164 10 0 CGAERO CCOc1ccccc1[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000044120906 175143029 /nfs/dbraw/zinc/14/30/29/175143029.db2.gz WIRSDLBLFNFDAX-MRXNPFEDSA-N 1 0 277.408 3.383 10 0 CGAERO C[C@H](c1ccc(Cl)s1)N1CCCC[C@@H]1C[NH3+] ZINC000044540394 175200905 /nfs/dbraw/zinc/20/09/05/175200905.db2.gz VFHSAYCXZWAXNF-NXEZZACHSA-N 1 0 258.818 3.276 10 0 CGAERO [NH3+]CC1(C(=O)Nc2ccccc2C(F)(F)F)CCCC1 ZINC000044762089 175246462 /nfs/dbraw/zinc/24/64/62/175246462.db2.gz WXILIRAHSUBDLH-UHFFFAOYSA-N 1 0 286.297 3.163 10 0 CGAERO c1ccc2c(c1)CCc1sc(C[NH2+]C3CC3)nc1-2 ZINC000045205985 175327908 /nfs/dbraw/zinc/32/79/08/175327908.db2.gz MQDURVAYOSFDAB-UHFFFAOYSA-N 1 0 256.374 3.161 10 0 CGAERO Cc1cc(NC(C)C)nc(NCc2ccccc2)[nH+]1 ZINC000045394555 175376530 /nfs/dbraw/zinc/37/65/30/175376530.db2.gz LXWUBNDZCISPMV-UHFFFAOYSA-N 1 0 256.353 3.217 10 0 CGAERO CCCC[NH2+]Cc1nn(CCC)nc1-c1ccccc1 ZINC000045944924 175387505 /nfs/dbraw/zinc/38/75/05/175387505.db2.gz TXNKCLGPOZJHFM-UHFFFAOYSA-N 1 0 272.396 3.245 10 0 CGAERO CC(C)C[NH2+]Cc1nn(C(C)C)nc1-c1ccccc1 ZINC000045944890 175387568 /nfs/dbraw/zinc/38/75/68/175387568.db2.gz MRGQYIZNKWBVPJ-UHFFFAOYSA-N 1 0 272.396 3.272 10 0 CGAERO Clc1ccccc1C[NH2+]CCCOc1ccccn1 ZINC000045945466 175388201 /nfs/dbraw/zinc/38/82/01/175388201.db2.gz KABMZORVKRNMNQ-UHFFFAOYSA-N 1 0 276.767 3.294 10 0 CGAERO Cc1ccc(Cl)cc1NC(=O)CSC1CC[NH2+]CC1 ZINC000058255754 175613956 /nfs/dbraw/zinc/61/39/56/175613956.db2.gz AFVXMIXEJTXWNV-UHFFFAOYSA-N 1 0 298.839 3.072 10 0 CGAERO C[C@@H]([NH3+])[C@H](Oc1cc(F)ccc1F)c1ccco1 ZINC000071167193 176049563 /nfs/dbraw/zinc/04/95/63/176049563.db2.gz BXZDHHXPJSUTAP-OQPBUACISA-N 1 0 253.248 3.025 10 0 CGAERO NC(=[NH2+])c1cc(F)ccc1COCC1CCCCC1 ZINC000071268337 176102133 /nfs/dbraw/zinc/10/21/33/176102133.db2.gz BDGYQQDURCOJMC-UHFFFAOYSA-N 1 0 264.344 3.207 10 0 CGAERO CCCC[C@H]([NH2+]C[C@H](O)C1CC1)c1ccc(F)cc1 ZINC000071300247 176113393 /nfs/dbraw/zinc/11/33/93/176113393.db2.gz WEAMWNWKFNORJG-HOTGVXAUSA-N 1 0 265.372 3.418 10 0 CGAERO C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)[C@@H]1CC[NH2+]C1 ZINC000071309368 176116730 /nfs/dbraw/zinc/11/67/30/176116730.db2.gz BHYMPEUCQRAOCA-GXFFZTMASA-N 1 0 272.314 3.060 10 0 CGAERO CCCN([C@@H]1CC[NH2+]C1)[C@@H]1CCSc2ccccc21 ZINC000071314738 176121149 /nfs/dbraw/zinc/12/11/49/176121149.db2.gz YDKSRGZYUCNJEO-UKRRQHHQSA-N 1 0 276.449 3.297 10 0 CGAERO COc1ccc([C@@H](CC[NH3+])C(C)C)c(OC)c1C ZINC000071573702 176200241 /nfs/dbraw/zinc/20/02/41/176200241.db2.gz UGESODZXEPTIHI-LBPRGKRZSA-N 1 0 251.370 3.101 10 0 CGAERO Cc1cc(C)c(-n2ncc(C[NH3+])c2C(C)C)c(C)c1 ZINC000071583098 176207733 /nfs/dbraw/zinc/20/77/33/176207733.db2.gz OVPWOHKXOUTDBX-UHFFFAOYSA-N 1 0 257.381 3.380 10 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3.466 10 0 CGAERO Cc1ccc(CC[C@H](CC[NH3+])c2ccccn2)cc1 ZINC000076658482 177047353 /nfs/dbraw/zinc/04/73/53/177047353.db2.gz DSXIPHICVZVEQH-MRXNPFEDSA-N 1 0 254.377 3.455 10 0 CGAERO Cc1ccccc1CC[C@@H](CC[NH3+])c1ccncc1 ZINC000076658503 177047354 /nfs/dbraw/zinc/04/73/54/177047354.db2.gz YHEZWZFZZSGJJO-INIZCTEOSA-N 1 0 254.377 3.455 10 0 CGAERO CC[C@H](C[NH3+])CCC(=O)Nc1ccc(Cl)cc1 ZINC000076659063 177047752 /nfs/dbraw/zinc/04/77/52/177047752.db2.gz DUKIWHSYQOGFNL-JTQLQIEISA-N 1 0 254.761 3.044 10 0 CGAERO [NH3+]CC[C@@H](CCc1cccc(F)c1)c1cccnc1 ZINC000076666292 177051014 /nfs/dbraw/zinc/05/10/14/177051014.db2.gz LKRPCYBZWWKWAT-CQSZACIVSA-N 1 0 258.340 3.286 10 0 CGAERO CC[C@H](C[NH3+])CC(=O)Nc1ccccc1C(C)(C)C ZINC000076675770 177056107 /nfs/dbraw/zinc/05/61/07/177056107.db2.gz GAWSVGYYXBCREQ-LBPRGKRZSA-N 1 0 262.397 3.298 10 0 CGAERO CCCCN(C(=O)C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000076676326 177056242 /nfs/dbraw/zinc/05/62/42/177056242.db2.gz JJDMGNMEZSEZFT-UHFFFAOYSA-N 1 0 262.397 3.076 10 0 CGAERO CCC[C@@H](C[NH3+])CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000076715607 177069153 /nfs/dbraw/zinc/06/91/53/177069153.db2.gz HLGFVZAELYHLQO-SECBINFHSA-N 1 0 272.751 3.183 10 0 CGAERO CCC[NH2+]CCc1csc(-c2ccccc2F)n1 ZINC000076783405 177091435 /nfs/dbraw/zinc/09/14/35/177091435.db2.gz HVNOCSQTWRMNGU-UHFFFAOYSA-N 1 0 264.369 3.491 10 0 CGAERO CC[NH2+][C@H](C)c1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000076784446 177092015 /nfs/dbraw/zinc/09/20/15/177092015.db2.gz NJEQDLIYCUJZHB-SNVBAGLBSA-N 1 0 292.404 3.498 10 0 CGAERO CCOc1cccc(-c2nc([C@H](C)[NH2+]C)cs2)c1 ZINC000076784866 177092213 /nfs/dbraw/zinc/09/22/13/177092213.db2.gz CPGCIIXIZTZWGD-JTQLQIEISA-N 1 0 262.378 3.489 10 0 CGAERO C[NH2+][C@@H](C)c1csc(-c2cccc(OC)c2OC)n1 ZINC000076784846 177092308 /nfs/dbraw/zinc/09/23/08/177092308.db2.gz KCDMFWKALODUJI-VIFPVBQESA-N 1 0 278.377 3.108 10 0 CGAERO C[C@@H](NC(=O)CCC(C)(C)[NH3+])c1ccc2c(c1)CCCC2 ZINC000070087095 416490450 /nfs/dbraw/zinc/49/04/50/416490450.db2.gz CCRDYSRIFHFJIS-CYBMUJFWSA-N 1 0 288.435 3.260 10 0 CGAERO C[C@H]1c2ccccc2NC(=[NH2+])N1Cc1ccccc1 ZINC000306682566 416527939 /nfs/dbraw/zinc/52/79/39/416527939.db2.gz RRQNDVQKEYNECU-LBPRGKRZSA-N 1 0 251.333 3.210 10 0 CGAERO C[C@H]([NH2+]CCCc1cncn1C)c1cccc(Cl)c1 ZINC000313973669 416535555 /nfs/dbraw/zinc/53/55/55/416535555.db2.gz KYGABGYMYREGRY-LBPRGKRZSA-N 1 0 277.799 3.357 10 0 CGAERO Cc1ccc(C[NH2+][C@H]2CCC[C@@H](O)C2)c(Cl)c1 ZINC000404529137 416553793 /nfs/dbraw/zinc/55/37/93/416553793.db2.gz VQOPFCBXVWWVRD-QWHCGFSZSA-N 1 0 253.773 3.042 10 0 CGAERO C[C@@H]1C[NH+]([C@@H]2CCCc3ccc(F)cc32)C[C@@H](C)O1 ZINC000130289752 287350674 /nfs/dbraw/zinc/35/06/74/287350674.db2.gz HEEWPTSWWJFPLN-XHBSWPGZSA-N 1 0 263.356 3.312 10 0 CGAERO Cc1cn[nH]c1C[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000685612013 544089091 /nfs/dbraw/zinc/08/90/91/544089091.db2.gz YFSNBRJRONAOTQ-JISDDCRVSA-N 1 0 273.424 3.413 10 0 CGAERO O=C(CCCC(F)F)CC[NH2+]Cc1ccccc1 ZINC000685960516 544111272 /nfs/dbraw/zinc/11/12/72/544111272.db2.gz ONDJJNJHKWJENA-UHFFFAOYSA-N 1 0 255.308 3.171 10 0 CGAERO CC(C)C[C@H]1C[NH2+]C2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000725255629 544113397 /nfs/dbraw/zinc/11/33/97/544113397.db2.gz GLZFDTQBEHVMPY-CQSZACIVSA-N 1 0 296.455 3.412 10 0 CGAERO CC[NH2+][C@H](C)c1c(Br)ccc(F)c1F ZINC000725261780 544114048 /nfs/dbraw/zinc/11/40/48/544114048.db2.gz HMPALMUCSPCUMJ-ZCFIWIBFSA-N 1 0 264.113 3.398 10 0 CGAERO CC[C@H]([NH2+]C1CC(CO)C1)c1ccc(Cl)cc1 ZINC000658352518 418947152 /nfs/dbraw/zinc/94/71/52/418947152.db2.gz YCTZYBWSNXMXQE-DBRPNBKGSA-N 1 0 253.773 3.152 10 0 CGAERO CC[C@@H](C[NH2+]Cc1csc(COC)n1)CC(F)(F)F ZINC000666426072 419215903 /nfs/dbraw/zinc/21/59/03/419215903.db2.gz ZZRANJLLNYRAHJ-SECBINFHSA-N 1 0 296.358 3.358 10 0 CGAERO CCC[C@@H](O)C[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000164299485 287530118 /nfs/dbraw/zinc/53/01/18/287530118.db2.gz CFWJFFUITXWIMA-ZBFHGGJFSA-N 1 0 261.409 3.451 10 0 CGAERO Cc1nccc(C[NH2+]C2CC(c3cccc(Cl)c3)C2)n1 ZINC000038037641 260125015 /nfs/dbraw/zinc/12/50/15/260125015.db2.gz ADTTUGVJMHFNDD-UHFFFAOYSA-N 1 0 287.794 3.474 10 0 CGAERO CC(C)CC(C)(C)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000391179538 262386217 /nfs/dbraw/zinc/38/62/17/262386217.db2.gz JSOIZPXBHDQJIK-MJBXVCDLSA-N 1 0 253.430 3.462 10 0 CGAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]C1CCC(C(N)=O)CC1 ZINC000037152242 270028692 /nfs/dbraw/zinc/02/86/92/270028692.db2.gz YOOWWRCYCDFCNE-WUCCLRPBSA-N 1 0 280.456 3.225 10 0 CGAERO COc1ccc([C@@H](C)[NH2+][C@H](CC(C)C)CN(C)C)cc1 ZINC000037167130 270028711 /nfs/dbraw/zinc/02/87/11/270028711.db2.gz UAZVALKDDXIPDG-GDBMZVCRSA-N 1 0 278.440 3.322 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CCc2ccccc21 ZINC000037167134 270028898 /nfs/dbraw/zinc/02/88/98/270028898.db2.gz VTZKDXNBOBPIOO-WBVHZDCISA-N 1 0 260.425 3.240 10 0 CGAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1cccc(F)c1 ZINC000042267516 270032062 /nfs/dbraw/zinc/03/20/62/270032062.db2.gz DVBARAVAZZUKFM-ZDUSSCGKSA-N 1 0 286.350 3.423 10 0 CGAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)NC1CCCCC1 ZINC000042267505 270032416 /nfs/dbraw/zinc/03/24/16/270032416.db2.gz WDCRXXKMSDHXMY-AWEZNQCLSA-N 1 0 274.408 3.095 10 0 CGAERO CC(C)C1CC([NH2+][C@@H](CN(C)C)c2ccccc2)C1 ZINC000232538868 287645654 /nfs/dbraw/zinc/64/56/54/287645654.db2.gz WZVFHIGBTVPYSL-JCYILVPMSA-N 1 0 260.425 3.314 10 0 CGAERO CC(C)c1nc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2CO)cs1 ZINC000186349196 270065743 /nfs/dbraw/zinc/06/57/43/270065743.db2.gz QZIIVPBPTIAMTH-YNEHKIRRSA-N 1 0 282.453 3.468 10 0 CGAERO CCO[C@@H]1C[C@H]([NH2+]CC2(CC(C)C)CC2)C12CCOCC2 ZINC000186418592 270066018 /nfs/dbraw/zinc/06/60/18/270066018.db2.gz PUYVUKWZHBFESA-JKSUJKDBSA-N 1 0 295.467 3.377 10 0 CGAERO CC(C)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2CO)cc1 ZINC000219031081 270085694 /nfs/dbraw/zinc/08/56/94/270085694.db2.gz AQVGSTPHDSOODQ-SJORKVTESA-N 1 0 261.409 3.451 10 0 CGAERO CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](CCO)C2)cc1 ZINC000227566247 270087321 /nfs/dbraw/zinc/08/73/21/270087321.db2.gz XCAZWSQMDHSIJF-HNNXBMFYSA-N 1 0 261.409 3.188 10 0 CGAERO CC[C@H]([NH2+][C@H](CN(C)C)c1ccccc1)[C@@H]1C[C@H]1C ZINC000321173131 270093213 /nfs/dbraw/zinc/09/32/13/270093213.db2.gz YPPYYPVPWXOWSL-MXASKKJJSA-N 1 0 260.425 3.314 10 0 CGAERO CC[C@H](c1ccc(Cl)cc1)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000246359346 287703316 /nfs/dbraw/zinc/70/33/16/287703316.db2.gz NCRIBKHNCSSTLH-JKSUJKDBSA-N 1 0 296.842 3.054 10 0 CGAERO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)CCC2 ZINC000092384265 274136285 /nfs/dbraw/zinc/13/62/85/274136285.db2.gz IJJMOVGCPBTWQV-QGTPRVQTSA-N 1 0 289.419 3.213 10 0 CGAERO C[C@@H]1CCCN(Cc2csc3ccccc23)[C@H]1C[NH3+] ZINC000251613740 274291277 /nfs/dbraw/zinc/29/12/77/274291277.db2.gz CGCYUXWFIVMCGV-DOMZBBRYSA-N 1 0 274.433 3.461 10 0 CGAERO O[C@@]1(c2ccc(F)cc2)[C@@H]2C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000100645513 275056324 /nfs/dbraw/zinc/05/63/24/275056324.db2.gz DKGIIODMNFUNIW-DZFIZOCASA-N 1 0 297.373 3.165 10 0 CGAERO Brc1ccc([C@@H]2CCCC[NH2+]C2)cc1 ZINC000074934274 275370026 /nfs/dbraw/zinc/37/00/26/275370026.db2.gz GDBMOQICGKDTFN-LLVKDONJSA-N 1 0 254.171 3.306 10 0 CGAERO CC[NH+](CC)CCCN1CCC[C@@H](c2nccs2)C1 ZINC000191780248 276096271 /nfs/dbraw/zinc/09/62/71/276096271.db2.gz ZJXHCMYAJYIBGV-CQSZACIVSA-N 1 0 281.469 3.054 10 0 CGAERO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)C1 ZINC000174147446 276114404 /nfs/dbraw/zinc/11/44/04/276114404.db2.gz HONRXVVTYHMQPK-ZACQAIPSSA-N 1 0 292.467 3.146 10 0 CGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCOc3ccccc32)C12CCC2 ZINC000247198455 276347441 /nfs/dbraw/zinc/34/74/41/276347441.db2.gz ZVHVRFGJIMDYKC-USXIJHARSA-N 1 0 287.403 3.448 10 0 CGAERO CC[C@@H]([NH2+]CCn1cc(C)cn1)c1cccc(F)c1 ZINC000188165334 276436354 /nfs/dbraw/zinc/43/63/54/276436354.db2.gz AOIILIVHBUNJDL-OAHLLOKOSA-N 1 0 261.344 3.072 10 0 CGAERO CCn1cnnc1C1CC[NH+](CC2CCCCCC2)CC1 ZINC000119235751 276720432 /nfs/dbraw/zinc/72/04/32/276720432.db2.gz TTXVGKKDDGALAV-UHFFFAOYSA-N 1 0 290.455 3.448 10 0 CGAERO CC(C)(C)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000089106611 277267045 /nfs/dbraw/zinc/26/70/45/277267045.db2.gz MSJHGBINSZKJNV-GOEBONIOSA-N 1 0 288.435 3.231 10 0 CGAERO Cc1cc(Cl)cc(C[NH2+][C@H](C)[C@H]2CCCO2)c1 ZINC000339183135 287956978 /nfs/dbraw/zinc/95/69/78/287956978.db2.gz YGIDRTGGVBCQMD-BXUZGUMPSA-N 1 0 253.773 3.306 10 0 CGAERO COCC[C@@H](C)[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000128971685 277544926 /nfs/dbraw/zinc/54/49/26/277544926.db2.gz QDLOFJOFCFNXKG-OCCSQVGLSA-N 1 0 263.381 3.303 10 0 CGAERO CCSCC[NH2+]C[C@@H]1C[C@@]1(C)c1cccs1 ZINC000364851474 287988364 /nfs/dbraw/zinc/98/83/64/287988364.db2.gz WYIBVWGVULUOGJ-WCQYABFASA-N 1 0 255.452 3.368 10 0 CGAERO CC1(C)C[C@H]([NH2+][C@H]2CC(C)(C)Oc3ccccc32)CO1 ZINC000396625493 288014687 /nfs/dbraw/zinc/01/46/87/288014687.db2.gz FHCFULSFSFEREX-JSGCOSHPSA-N 1 0 275.392 3.446 10 0 CGAERO Cc1cc([C@H](C)N[C@@H]2CCC[NH2+][C@@H]2C)c(C)s1 ZINC000396666849 288015071 /nfs/dbraw/zinc/01/50/71/288015071.db2.gz PDJHXAPMSARHFX-MISXGVKJSA-N 1 0 252.427 3.156 10 0 CGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1=CCOCC1 ZINC000397728278 288028430 /nfs/dbraw/zinc/02/84/30/288028430.db2.gz AXPSOLTVTSCNHT-VNQPRFMTSA-N 1 0 251.414 3.384 10 0 CGAERO C[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1O)c1ccc(Cl)nc1 ZINC000181420418 278285164 /nfs/dbraw/zinc/28/51/64/278285164.db2.gz JTPRGRFTKSLRTG-FSBGKCOPSA-N 1 0 288.778 3.044 10 0 CGAERO C[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1cncs1 ZINC000128479316 278374340 /nfs/dbraw/zinc/37/43/40/278374340.db2.gz RSEXQDNVHIJLDU-ZYHUDNBSSA-N 1 0 260.362 3.318 10 0 CGAERO CCN1CCC([NH2+][C@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000037977218 279262909 /nfs/dbraw/zinc/26/29/09/279262909.db2.gz PJOZBPVWDOJYQC-INMHGKMJSA-N 1 0 264.457 3.419 10 0 CGAERO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1cccc(F)c1 ZINC000246937795 279483838 /nfs/dbraw/zinc/48/38/38/279483838.db2.gz JKNIEEULGXZYPW-NJZAAPMLSA-N 1 0 251.345 3.027 10 0 CGAERO CC(C)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000187371162 280270390 /nfs/dbraw/zinc/27/03/90/280270390.db2.gz WFBMJUCTHOXLPT-AEFFLSMTSA-N 1 0 283.419 3.124 10 0 CGAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@@]2(C)CCCS2)c1C ZINC000133976683 288756525 /nfs/dbraw/zinc/75/65/25/288756525.db2.gz VDKMFEBTCKGMKZ-XHDPSFHLSA-N 1 0 281.469 3.456 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1nc2ccccc2n1C ZINC000246189968 290011316 /nfs/dbraw/zinc/01/13/16/290011316.db2.gz WXWVLNKZAFQBJS-ZJOBFFGXSA-N 1 0 299.418 3.182 10 0 CGAERO C[C@H](CC1CCCCC1)C(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000261729486 298359643 /nfs/dbraw/zinc/35/96/43/298359643.db2.gz HNDCWXSMTKRVLC-IIAWOOMASA-N 1 0 280.456 3.179 10 0 CGAERO Cc1ccc([C@H]2CCCN2C(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000261656825 301822673 /nfs/dbraw/zinc/82/26/73/301822673.db2.gz DVIBUBXUNHLICG-BRWVUGGUSA-N 1 0 286.419 3.034 10 0 CGAERO O[C@@H]1CCCCC[C@H]1[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000160978745 321860772 /nfs/dbraw/zinc/86/07/72/321860772.db2.gz KRLLEIMIDZUFSH-ZIAGYGMSSA-N 1 0 271.763 3.262 10 0 CGAERO COc1ccc(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000570851154 322283986 /nfs/dbraw/zinc/28/39/86/322283986.db2.gz 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CC[NH2+][C@H](c1ccc(OC)c(Cl)c1)C1CCOCC1 ZINC000061671796 520208627 /nfs/dbraw/zinc/20/86/27/520208627.db2.gz CCNIQHPIUUMFJP-HNNXBMFYSA-N 1 0 283.799 3.426 10 0 CGAERO CCCCN(CC)c1nc(C)c(C[NH2+]CC)s1 ZINC000054996093 520483331 /nfs/dbraw/zinc/48/33/31/520483331.db2.gz BFXHILNYQGKMLW-UHFFFAOYSA-N 1 0 255.431 3.187 10 0 CGAERO CCC[C@H](C(=O)Nc1ccc(OC(C)C)cc1F)[NH+](C)C ZINC000094072204 520989513 /nfs/dbraw/zinc/98/95/13/520989513.db2.gz QCACTWDAYPAWSL-OAHLLOKOSA-N 1 0 296.386 3.282 10 0 CGAERO CCN(Cc1cccc(C[NH2+]C)c1)c1ccccc1 ZINC000052421016 521341719 /nfs/dbraw/zinc/34/17/19/521341719.db2.gz YRXYBOYXZKSESS-UHFFFAOYSA-N 1 0 254.377 3.433 10 0 CGAERO CCCc1cc(NC)c2cc3c(cc2[nH+]1)OCCO3 ZINC000050868364 521378236 /nfs/dbraw/zinc/37/82/36/521378236.db2.gz YMDRCZAFEXRYQC-UHFFFAOYSA-N 1 0 258.321 3.000 10 0 CGAERO CCN(Cc1ccco1)c1nc2c(s1)[C@H]([NH3+])CCC2 ZINC000054898246 521400424 /nfs/dbraw/zinc/40/04/24/521400424.db2.gz NIRVRCFFKIBWFO-LLVKDONJSA-N 1 0 277.393 3.099 10 0 CGAERO CCOc1cccc(OCc2ccc(C[NH3+])cc2)c1 ZINC000051845803 521404026 /nfs/dbraw/zinc/40/40/26/521404026.db2.gz NFWVCIWTBBSJCB-UHFFFAOYSA-N 1 0 257.333 3.123 10 0 CGAERO CCN(Cc1occc1C[NH2+]C(C)C)CC(F)(F)F ZINC000052503042 521469155 /nfs/dbraw/zinc/46/91/55/521469155.db2.gz VSHCCPLHCGYLMM-UHFFFAOYSA-N 1 0 278.318 3.162 10 0 CGAERO CCC(CC)CN(CC)C(=O)C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000055128902 521515383 /nfs/dbraw/zinc/51/53/83/521515383.db2.gz WXEIHMIPUMYTTN-HUUCEWRRSA-N 1 0 268.445 3.179 10 0 CGAERO CCN1CCC[C@H]([NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC000160909278 521648623 /nfs/dbraw/zinc/64/86/23/521648623.db2.gz YYTBJNZKQWPBBG-AWEZNQCLSA-N 1 0 270.779 3.053 10 0 CGAERO CCCN(c1cc(Cl)ccc1C(N)=[NH2+])C(C)C ZINC000062788789 521697375 /nfs/dbraw/zinc/69/73/75/521697375.db2.gz ZVZPLLZISKPUAS-UHFFFAOYSA-N 1 0 253.777 3.249 10 0 CGAERO CCOCCCC[NH2+]CCO[C@H]1CCCC[C@H]1CC ZINC000053552727 521703562 /nfs/dbraw/zinc/70/35/62/521703562.db2.gz ACNMKEHPKMNZLB-CVEARBPZSA-N 1 0 271.445 3.378 10 0 CGAERO 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CGAERO CC[C@@H]([NH3+])c1c(C)nn(Cc2cccc(C)c2)c1C ZINC000054716628 522656340 /nfs/dbraw/zinc/65/63/40/522656340.db2.gz QONFQHWKPMVQLU-OAHLLOKOSA-N 1 0 257.381 3.266 10 0 CGAERO CN(CC[C@H]([NH3+])c1ccc(F)cc1)c1ccccc1 ZINC000053976627 522931363 /nfs/dbraw/zinc/93/13/63/522931363.db2.gz HXOHONBWEJJJOW-INIZCTEOSA-N 1 0 258.340 3.352 10 0 CGAERO CCn1cc([C@@H]([NH2+]C)C(C)(C)c2ccccc2)cn1 ZINC000062773445 523463410 /nfs/dbraw/zinc/46/34/10/523463410.db2.gz KDCOXGQAPXPNIQ-OAHLLOKOSA-N 1 0 257.381 3.141 10 0 CGAERO COc1ccc(Br)cc1Nc1cc[nH+]cc1N ZINC000049564501 523508976 /nfs/dbraw/zinc/50/89/76/523508976.db2.gz NSWUNKKKZOMMBD-UHFFFAOYSA-N 1 0 294.152 3.179 10 0 CGAERO CCn1nc(C)c([C@H](C)NCC2([NH+](C)C)CCCC2)c1C ZINC000149434312 523663348 /nfs/dbraw/zinc/66/33/48/523663348.db2.gz FTZDOGMQJPZQTL-ZDUSSCGKSA-N 1 0 292.471 3.045 10 0 CGAERO CCc1cc(N)c2cc(OCC(F)(F)F)ccc2[nH+]1 ZINC000050868783 523789730 /nfs/dbraw/zinc/78/97/30/523789730.db2.gz QBECWSNINMIKLG-UHFFFAOYSA-N 1 0 270.254 3.321 10 0 CGAERO CCc1ccc(C[C@H]([NH3+])Cc2nc(C)cs2)cc1 ZINC000055267688 523951157 /nfs/dbraw/zinc/95/11/57/523951157.db2.gz RMLQLJSRYLYHOF-AWEZNQCLSA-N 1 0 260.406 3.126 10 0 CGAERO C[C@H](CC[NH2+]C1CC1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482407 524194271 /nfs/dbraw/zinc/19/42/71/524194271.db2.gz CCRUQVCIFUNMBF-QLFBSQMISA-N 1 0 250.430 3.029 10 0 CGAERO Cc1cc(C)c(C[NH+]2CCC(n3cncn3)CC2)c(C)c1 ZINC000156645729 524261320 /nfs/dbraw/zinc/26/13/20/524261320.db2.gz LFTSNGDIEIGUEK-UHFFFAOYSA-N 1 0 284.407 3.040 10 0 CGAERO COc1ccccc1-c1csc(C[C@@H]2CCC[NH2+]2)n1 ZINC000053252744 524276233 /nfs/dbraw/zinc/27/62/33/524276233.db2.gz PISACTDJDQAEOC-NSHDSACASA-N 1 0 274.389 3.113 10 0 CGAERO C[C@@H]1CCC[C@@H]([NH2+]CCN(C)c2cccc(F)c2)C1 ZINC000053436302 524315783 /nfs/dbraw/zinc/31/57/83/524315783.db2.gz TUJHOKXTQTUSHJ-UKRRQHHQSA-N 1 0 264.388 3.430 10 0 CGAERO Cc1ccc(CN2CCC[NH2+][C@H](CC(C)C)C2)cc1 ZINC000062657634 524445806 /nfs/dbraw/zinc/44/58/06/524445806.db2.gz SSBLGPGKPKOKEK-QGZVFWFLSA-N 1 0 260.425 3.205 10 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265.372 3.358 10 0 CGAERO C[C@H]([NH2+][C@H]1CN(C)C[C@H]1C)c1ccc(Cl)s1 ZINC000309553067 525634029 /nfs/dbraw/zinc/63/40/29/525634029.db2.gz IWDUZSCYVABECE-UTLUCORTSA-N 1 0 258.818 3.002 10 0 CGAERO Cc1ccc([C@@H](O)CC[NH2+]Cc2ccccc2)cc1 ZINC000049845607 525778208 /nfs/dbraw/zinc/77/82/08/525778208.db2.gz QTIWLWSBTAHAHC-KRWDZBQOSA-N 1 0 255.361 3.208 10 0 CGAERO CSc1ccc(C[N@@H+]2CCC[C@H]2CCCO)cc1 ZINC000052761863 525990669 /nfs/dbraw/zinc/99/06/69/525990669.db2.gz HCYVBNZKSHDYLA-AWEZNQCLSA-N 1 0 265.422 3.145 10 0 CGAERO C[C@@H]([C@@H]([NH3+])c1ccccc1)N1Cc2ccccc2C1 ZINC000050911009 526019469 /nfs/dbraw/zinc/01/94/69/526019469.db2.gz HWEZKSGZIPKPRT-SUMWQHHRSA-N 1 0 252.361 3.091 10 0 CGAERO C[C@@H](c1ccc(Br)cc1)N1CC[C@H]([NH3+])C[C@H]1C ZINC000049713895 526037335 /nfs/dbraw/zinc/03/73/35/526037335.db2.gz HYCYPPCYDDBYTF-SUNKGSAMSA-N 1 0 297.240 3.322 10 0 CGAERO C[C@@H](c1cccc(Cl)c1)N(C)c1ccc(C[NH3+])cn1 ZINC000062012103 526070346 /nfs/dbraw/zinc/07/03/46/526070346.db2.gz KUMQSLOHNHPIMD-NSHDSACASA-N 1 0 275.783 3.391 10 0 CGAERO C[C@H](c1cccs1)N(C)Cc1[nH+]c(NN)ccc1Cl ZINC000061631577 526153443 /nfs/dbraw/zinc/15/34/43/526153443.db2.gz MDHRPINZUPDRGE-SECBINFHSA-N 1 0 296.827 3.275 10 0 CGAERO Cc1nn([C@@H](C[NH3+])c2ccc(Cl)s2)c(C)c1Cl ZINC000050586021 526301796 /nfs/dbraw/zinc/30/17/96/526301796.db2.gz VCFFZKCBILCRKO-QMMMGPOBSA-N 1 0 290.219 3.416 10 0 CGAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1cc2ccccc2o1 ZINC000085979632 526303529 /nfs/dbraw/zinc/30/35/29/526303529.db2.gz JYFLBKNAULRLPO-ZFWWWQNUSA-N 1 0 259.349 3.074 10 0 CGAERO Fc1ccc(NCCC[NH+]2CCCC2)c(Cl)c1 ZINC000049332396 526354019 /nfs/dbraw/zinc/35/40/19/526354019.db2.gz KBCKDRDDIDQMHB-UHFFFAOYSA-N 1 0 256.752 3.377 10 0 CGAERO Cc1csc(Cn2c(N)[nH+]c3cccc(Cl)c32)n1 ZINC000049534205 526368951 /nfs/dbraw/zinc/36/89/51/526368951.db2.gz PNVQEAVODGGAGU-UHFFFAOYSA-N 1 0 278.768 3.085 10 0 CGAERO c1ccc(C[C@@H]2CN(Cc3ccccc3)CCC[NH2+]2)cc1 ZINC000062671257 526476961 /nfs/dbraw/zinc/47/69/61/526476961.db2.gz 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269.241 3.486 10 0 CGAERO [NH3+][C@@H](c1ccc(Br)s1)[C@H]1CCCCO1 ZINC000050962974 527339490 /nfs/dbraw/zinc/33/94/90/527339490.db2.gz PNVIUSGJPVODSM-GMSGAONNSA-N 1 0 276.199 3.080 10 0 CGAERO [NH3+][C@H](CC1CCOCC1)c1ccc2ccccc2n1 ZINC000063076051 527383436 /nfs/dbraw/zinc/38/34/36/527383436.db2.gz ITDKTUHRGJYZAB-CQSZACIVSA-N 1 0 256.349 3.051 10 0 CGAERO CC(=O)c1ccccc1OCC[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000368099136 527405514 /nfs/dbraw/zinc/40/55/14/527405514.db2.gz MFPBTXUOXRGUCA-GDBMZVCRSA-N 1 0 273.376 3.142 10 0 CGAERO [NH3+][C@H]1COc2cc(OCc3ccc(Cl)s3)ccc21 ZINC000062803729 527418103 /nfs/dbraw/zinc/41/81/03/527418103.db2.gz LSCPGVHEEPWIBO-NSHDSACASA-N 1 0 281.764 3.373 10 0 CGAERO [NH3+][C@H]1c2ccccc2C[C@H]1Cc1ccc(F)cc1F ZINC000050885294 527420592 /nfs/dbraw/zinc/42/05/92/527420592.db2.gz GNYNFSUQERHJEQ-BLLLJJGKSA-N 1 0 259.299 3.380 10 0 CGAERO [NH3+][C@]1(c2cc(F)ccc2F)CCc2ccccc2C1 ZINC000055242792 527422367 /nfs/dbraw/zinc/42/23/67/527422367.db2.gz YEXBICUDLZUFGL-MRXNPFEDSA-N 1 0 259.299 3.308 10 0 CGAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1F ZINC000160839191 527668787 /nfs/dbraw/zinc/66/87/87/527668787.db2.gz JGCDLCNYOPONBQ-BXUZGUMPSA-N 1 0 271.763 3.120 10 0 CGAERO FC(F)(F)c1ccc2oc([C@@H]3CCC[NH2+]C3)nc2c1 ZINC000062541352 527684571 /nfs/dbraw/zinc/68/45/71/527684571.db2.gz XNGGFYWHYZTJCU-MRVPVSSYSA-N 1 0 270.254 3.314 10 0 CGAERO CC1(C)Cc2cccc(C[NH2+][C@@H]3CCCC[C@@H]3CO)c2O1 ZINC000152350099 527776263 /nfs/dbraw/zinc/77/62/63/527776263.db2.gz ZGHCBPKSNZKMAW-HZPDHXFCSA-N 1 0 289.419 3.041 10 0 CGAERO CC(C)[C@@H]1C[NH2+][C@@H](C)CN1c1ccc(F)c(Cl)c1 ZINC000083518251 535264672 /nfs/dbraw/zinc/26/46/72/535264672.db2.gz KSTJTSYSPRXYEU-HZMBPMFUSA-N 1 0 270.779 3.302 10 0 CGAERO CCN1CCC[C@H]([NH2+]Cc2ccc(OCC3CC3)cc2)C1 ZINC000190851236 535582106 /nfs/dbraw/zinc/58/21/06/535582106.db2.gz CMOCNNLRBASPLP-KRWDZBQOSA-N 1 0 288.435 3.049 10 0 CGAERO CC[C@H](c1ccccc1)[N@@H+]1CCO[C@H](c2cnn(CC)c2)C1 ZINC000190735066 536064742 /nfs/dbraw/zinc/06/47/42/536064742.db2.gz QSAYRRAAFNTNEK-MSOLQXFVSA-N 1 0 299.418 3.428 10 0 CGAERO CC[C@H]1C[NH2+][C@H](C(C)C)CN1c1ccc(C)cc1F ZINC000083479868 536169828 /nfs/dbraw/zinc/16/98/28/536169828.db2.gz PSBPVCRUTUGWET-ZFWWWQNUSA-N 1 0 264.388 3.347 10 0 CGAERO COc1ccccc1C1CC([NH2+]Cc2ccncc2)C1 ZINC000036843838 537015754 /nfs/dbraw/zinc/01/57/54/537015754.db2.gz IJEKIHYXGSNHQG-UHFFFAOYSA-N 1 0 268.360 3.126 10 0 CGAERO CC[N@@H+]1CC[C@H]([NH3+])C12CCC(C(C)(C)CC)CC2 ZINC000711933769 567836694 /nfs/dbraw/zinc/83/66/94/567836694.db2.gz NGCFHYSUJOVRBM-BBBYJDLNSA-N 1 0 252.446 3.405 10 0 CGAERO CC1(C)CSC[C@@]2(C1)[NH2+]CCc1ccsc12 ZINC000712545286 567851629 /nfs/dbraw/zinc/85/16/29/567851629.db2.gz LUSLMQPMVPDXMR-CYBMUJFWSA-N 1 0 253.436 3.252 10 0 CGAERO Cc1c[n+](CCc2ccc(O)cc2)cc2c1CC[C@@H]2C ZINC000004098468 571685940 /nfs/dbraw/zinc/68/59/40/571685940.db2.gz CKHCFVWFFIHGMT-ZDUSSCGKSA-O 1 0 268.380 3.281 10 0 endogenous,in-man CGAERO c1cc(C[NH2+]C2[C@@H]3C[C@H]2CN(Cc2ccccc2)C3)cs1 ZINC000399603812 572529555 /nfs/dbraw/zinc/52/95/55/572529555.db2.gz DKDAOFCWHXCTMA-JWTNVVGKSA-N 1 0 298.455 3.358 10 0 CGAERO CC(C)[C@H]1[NH2+][C@@]2(CCCSC2)OCC12CCC2 ZINC000757147697 617806897 /nfs/dbraw/zinc/80/68/97/617806897.db2.gz SOIFGNLAUVFXFI-OCCSQVGLSA-N 1 0 255.427 3.024 10 0 CGAERO CSC1(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)CCCCC1 ZINC000300569194 617796262 /nfs/dbraw/zinc/79/62/62/617796262.db2.gz BDOFEIKQZMIHHM-MGPQQGTHSA-N 1 0 283.481 3.455 10 0 CGAERO C[C@@H]([NH2+]C[C@H]1CC1(Cl)Cl)c1cncc(F)c1 ZINC000309513826 618723818 /nfs/dbraw/zinc/72/38/18/618723818.db2.gz YAHUDVHBWPRFIL-VXNVDRBHSA-N 1 0 263.143 3.065 10 0 CGAERO CCC[C@H]1C[C@@H]1[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000309891083 619022114 /nfs/dbraw/zinc/02/21/14/619022114.db2.gz BMRRKYQAAIUWTG-RYUDHWBXSA-N 1 0 270.417 3.068 10 0 CGAERO C[C@@H]([NH2+][C@@H]1C[C@H](C)Sc2sccc21)[C@H](C)O ZINC000309930579 619038881 /nfs/dbraw/zinc/03/88/81/619038881.db2.gz XSYGWSJUMDQWRG-QCBRBAQYSA-N 1 0 257.424 3.032 10 0 CGAERO C[C@@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CCc2cccnc21 ZINC000309903638 619060616 /nfs/dbraw/zinc/06/06/16/619060616.db2.gz POPZHDSAILKUGK-MAUKXSAKSA-N 1 0 295.430 3.179 10 0 CGAERO CC(C)(C)c1ccc2c(c1)CCN2C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000236712309 619166260 /nfs/dbraw/zinc/16/62/60/619166260.db2.gz BKGFSPBRNGSXAL-DZGCQCFKSA-N 1 0 286.419 3.001 10 0 CGAERO CCCCc1ccc(N(C)C(=O)[C@H]([NH3+])CCC)cc1 ZINC000236889823 619219453 /nfs/dbraw/zinc/21/94/53/619219453.db2.gz BQQXMMQIUJMFOV-OAHLLOKOSA-N 1 0 262.397 3.119 10 0 CGAERO C[C@H](CC[NH2+]Cc1cccc(F)c1)NC(=O)OC(C)(C)C ZINC000222090228 619228002 /nfs/dbraw/zinc/22/80/02/619228002.db2.gz ZKCBKVFRYDOXRK-GFCCVEGCSA-N 1 0 296.386 3.219 10 0 CGAERO C[C@H](NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+])c1ccc(F)c(F)c1 ZINC000094750397 619287416 /nfs/dbraw/zinc/28/74/16/619287416.db2.gz OZYLCZXUXVORBG-NVBFEUDRSA-N 1 0 296.361 3.050 10 0 CGAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(SC(F)F)c1 ZINC000237008687 619384956 /nfs/dbraw/zinc/38/49/56/619384956.db2.gz 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287.334 3.015 10 0 CGAERO Fc1ccc(C[NH2+]C[C@H]2CCc3ccccc3O2)cc1 ZINC000013775970 344880884 /nfs/dbraw/zinc/88/08/84/344880884.db2.gz BUISWLRGGNVLQY-MRXNPFEDSA-N 1 0 271.335 3.309 10 0 CGAERO C[N@@H+]1C[C@H](Cc2ccccc2)C[C@H]1c1cccnc1 ZINC000013738867 344881053 /nfs/dbraw/zinc/88/10/53/344881053.db2.gz XRBDXFBDMCWNAX-WBVHZDCISA-N 1 0 252.361 3.317 10 0 CGAERO CCC(=O)N(c1ccccc1)[C@@H]1CCCC[C@H]1[NH+](C)C ZINC000028237955 344913567 /nfs/dbraw/zinc/91/35/67/344913567.db2.gz FYMBNVYLYZOADF-HZPDHXFCSA-N 1 0 274.408 3.302 10 0 CGAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)Cc1ccc(C(C)(C)C)cc1 ZINC000037798253 344953254 /nfs/dbraw/zinc/95/32/54/344953254.db2.gz KTKRPNOHFMPRTQ-XJKSGUPXSA-N 1 0 290.451 3.316 10 0 CGAERO C[C@H]([NH2+]Cc1cn[nH]c1)C12CC3CC(CC(C3)C1)C2 ZINC000038005874 344954272 /nfs/dbraw/zinc/95/42/72/344954272.db2.gz VVCMHRGPCKTTCR-IKMFHRHGSA-N 1 0 259.397 3.104 10 0 CGAERO CCCn1c(C[NH2+]CC[C@@H]2CCCO2)nc2ccccc21 ZINC000038054772 344954893 /nfs/dbraw/zinc/95/48/93/344954893.db2.gz JVHHDYYDNGJUTD-AWEZNQCLSA-N 1 0 287.407 3.105 10 0 CGAERO C[C@@H](NC(=O)C1CCC([NH3+])CC1)c1ccccc1Cl ZINC000040853958 344966004 /nfs/dbraw/zinc/96/60/04/344966004.db2.gz SIZRWMGDSOTQHU-VOMCLLRMSA-N 1 0 280.799 3.035 10 0 CGAERO C[NH2+]Cc1cnc(-c2ccc(Br)s2)s1 ZINC000040996918 344966748 /nfs/dbraw/zinc/96/67/48/344966748.db2.gz USDNBJQXJBKUNU-UHFFFAOYSA-N 1 0 289.223 3.354 10 0 CGAERO NC(=[NH2+])c1ccc2cc(NC(=O)c3ccccc3)ccc2c1 ZINC000034457480 344939867 /nfs/dbraw/zinc/93/98/67/344939867.db2.gz OVWWLVCREVUJGJ-UHFFFAOYSA-N 1 0 289.338 3.376 10 0 CGAERO COc1cccc([C@H]([NH3+])c2ccc3c(c2)CCC3)c1 ZINC000034939657 344941223 /nfs/dbraw/zinc/94/12/23/344941223.db2.gz DFQCLTZMBTVOIZ-KRWDZBQOSA-N 1 0 253.345 3.232 10 0 CGAERO CC[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000036840768 344945148 /nfs/dbraw/zinc/94/51/48/344945148.db2.gz OOAAZSXPTJEDFG-UHFFFAOYSA-N 1 0 254.171 3.305 10 0 CGAERO Cc1nc2ccc(NC(=O)C3CCC([NH3+])CC3)cc2s1 ZINC000037627529 344951757 /nfs/dbraw/zinc/95/17/57/344951757.db2.gz PMDWMMOBHDTZMN-UHFFFAOYSA-N 1 0 289.404 3.061 10 0 CGAERO C[C@H](NC(=O)CC[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000043591216 345001717 /nfs/dbraw/zinc/00/17/17/345001717.db2.gz TYZLNHWMZLULHB-QWHCGFSZSA-N 1 0 294.826 3.297 10 0 CGAERO C[NH2+][C@@H]1c2cc(Br)ccc2S[C@@H]1C ZINC000043642045 345002279 /nfs/dbraw/zinc/00/22/79/345002279.db2.gz IAQBPVDNGMEVPU-LDWIPMOCSA-N 1 0 258.184 3.204 10 0 CGAERO [NH3+][C@H](C1=CCCC1)c1cccc(I)c1 ZINC000050327055 345080512 /nfs/dbraw/zinc/08/05/12/345080512.db2.gz CZQXAUAEEAJLGV-GFCCVEGCSA-N 1 0 299.155 3.401 10 0 CGAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1cccc(C(F)(F)F)c1 ZINC000054290065 345131916 /nfs/dbraw/zinc/13/19/16/345131916.db2.gz UTUVFLJFWYGXEF-JTQLQIEISA-N 1 0 286.297 3.034 10 0 CGAERO CCCN(Cc1ccc(C)cc1)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000070575952 345391730 /nfs/dbraw/zinc/39/17/30/345391730.db2.gz DUGPRWAVERTHAZ-DLBZAZTESA-N 1 0 288.435 3.251 10 0 CGAERO CCn1nc(C)c([C@@H](C)[NH2+][C@H]2CCCSC2)c1C ZINC000132473434 232195440 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ZINC000116992173 345980839 /nfs/dbraw/zinc/98/08/39/345980839.db2.gz TUQWJNZGYAOCSX-LJQANCHMSA-N 1 0 290.366 3.045 10 0 CGAERO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)O1 ZINC000128121373 346037593 /nfs/dbraw/zinc/03/75/93/346037593.db2.gz QZZCDFDTEGQGQA-WISYIIOYSA-N 1 0 265.319 3.265 10 0 CGAERO Cc1cc2ccccc2nc1NCC1(C)CC[NH2+]CC1 ZINC000129454494 346049545 /nfs/dbraw/zinc/04/95/45/346049545.db2.gz ATHVCGCQWIOUQB-UHFFFAOYSA-N 1 0 269.392 3.345 10 0 CGAERO Cc1ccccc1-c1c2c(ccc1F)C[C@H](C[NH3+])O2 ZINC000136096775 346089566 /nfs/dbraw/zinc/08/95/66/346089566.db2.gz BICBJDLSJVHPAR-GFCCVEGCSA-N 1 0 257.308 3.063 10 0 CGAERO [NH3+]C[C@@H]1Cc2cc(F)cc(-c3ccccc3Cl)c2O1 ZINC000136230765 346090343 /nfs/dbraw/zinc/09/03/43/346090343.db2.gz JUKXSUVUGNRLEV-NSHDSACASA-N 1 0 277.726 3.408 10 0 CGAERO Cc1ccccc1-c1cc(F)cc2c1O[C@H](C[NH3+])C2 ZINC000137262879 346094108 /nfs/dbraw/zinc/09/41/08/346094108.db2.gz DRVWKUMWLNSMCR-ZDUSSCGKSA-N 1 0 257.308 3.063 10 0 CGAERO CC(C)=C[C@@H]([NH3+])c1ccc(I)cc1 ZINC000131003229 346062496 /nfs/dbraw/zinc/06/24/96/346062496.db2.gz BTSXWXVCYDVDCF-LLVKDONJSA-N 1 0 287.144 3.257 10 0 CGAERO CCOC(=O)c1ccc([C@@H]([NH3+])C2CC(C)(C)C2)cc1 ZINC000148715584 346128768 /nfs/dbraw/zinc/12/87/68/346128768.db2.gz YMLXNTWMJDCDKI-CQSZACIVSA-N 1 0 261.365 3.299 10 0 CGAERO COc1ccc(C[C@@H]2[NH2+]CCc3ccsc32)cc1 ZINC000149653593 346130798 /nfs/dbraw/zinc/13/07/98/346130798.db2.gz NLWJTQSSNJOFFC-AWEZNQCLSA-N 1 0 259.374 3.186 10 0 CGAERO CC(C)(C)[C@H]([NH3+])c1cccc(I)c1 ZINC000162846917 346180071 /nfs/dbraw/zinc/18/00/71/346180071.db2.gz WUBQEGZWBPGAJH-SNVBAGLBSA-N 1 0 289.160 3.337 10 0 CGAERO CC(C)(C)Nc1cccc(Br)c1C[NH3+] ZINC000164950048 346183300 /nfs/dbraw/zinc/18/33/00/346183300.db2.gz LNBJHSYSCIEPKK-UHFFFAOYSA-N 1 0 257.175 3.118 10 0 CGAERO C[NH2+][C@H](c1c(F)cccc1Br)C1CC1 ZINC000165160920 346183792 /nfs/dbraw/zinc/18/37/92/346183792.db2.gz GMHUSDUBDMTDFY-NSHDSACASA-N 1 0 258.134 3.259 10 0 CGAERO 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ZINC000109494214 186256451 /nfs/dbraw/zinc/25/64/51/186256451.db2.gz BEGHYYPMAYJVDY-MNOVXSKESA-N 1 0 253.390 3.249 10 0 CGAERO COCc1cc(-c2ccc(C[C@H](C)[NH3+])cc2)cs1 ZINC000629748357 350763984 /nfs/dbraw/zinc/76/39/84/350763984.db2.gz LSJRQMMRJDVUGJ-NSHDSACASA-N 1 0 261.390 3.451 10 0 CGAERO Cc1cnn([C@H]2CCC[N@H+](Cc3ccc(F)cc3C)C2)c1 ZINC000123047849 187067776 /nfs/dbraw/zinc/06/77/76/187067776.db2.gz IUIBTSXLTKBMHR-KRWDZBQOSA-N 1 0 287.382 3.476 10 0 CGAERO Cc1nn(C)cc1C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000123616303 187101057 /nfs/dbraw/zinc/10/10/57/187101057.db2.gz AMJSIZQOXOSTEW-CQSZACIVSA-N 1 0 257.381 3.196 10 0 CGAERO CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000155167651 188187647 /nfs/dbraw/zinc/18/76/47/188187647.db2.gz BBCUAUROLIOORE-WMLDXEAASA-N 1 0 287.382 3.500 10 0 CGAERO CC[C@@H]1[C@H](C)CCN1Cc1cc(Br)no1 ZINC000292674503 198370636 /nfs/dbraw/zinc/37/06/36/198370636.db2.gz BRVDXOJOPLQASG-PSASIEDQSA-N 1 0 273.174 3.058 10 0 CGAERO CC(C)(C)OC(=O)Nc1ccccc1[C@H]1CC[NH2+]C1 ZINC000169804556 188665620 /nfs/dbraw/zinc/66/56/20/188665620.db2.gz QFMAVFPMRJYTRU-NSHDSACASA-N 1 0 262.353 3.111 10 0 CGAERO C[C@H]([NH2+][C@@H]1CC=CCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400454479 234947280 /nfs/dbraw/zinc/94/72/80/234947280.db2.gz PPOSSUPFBWLMGK-SOUVJXGZSA-N 1 0 294.439 3.330 10 0 CGAERO Cc1ccc(NC(=O)[C@H](C[NH3+])c2ccccc2)c(Cl)c1 ZINC000061611078 137929898 /nfs/dbraw/zinc/92/98/98/137929898.db2.gz WNCBLMJRCLEYQX-CYBMUJFWSA-N 1 0 288.778 3.329 10 0 CGAERO C[C@H]1C[C@H](C(F)(F)F)CC[N@@H+]1CC1CCOCC1 ZINC000336228283 291110436 /nfs/dbraw/zinc/11/04/36/291110436.db2.gz WQERYCHFJBVHRD-CMPLNLGQSA-N 1 0 265.319 3.076 10 0 CGAERO Cc1ccc2cc(C[NH2+][C@@H](C)[C@H]3CCCO3)ccc2n1 ZINC000097861348 138349083 /nfs/dbraw/zinc/34/90/83/138349083.db2.gz ZPTVHQCHCXPBRC-SUMWQHHRSA-N 1 0 270.376 3.200 10 0 CGAERO Cc1cnn([C@H]2CCC[N@H+](CC3CCCCC3)C2)c1 ZINC000106219758 138354370 /nfs/dbraw/zinc/35/43/70/138354370.db2.gz PSPYMKDZQPVZBG-INIZCTEOSA-N 1 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275.392 3.243 10 0 CGAERO Cc1csc(C2CC[NH+]([C@@H](C)c3cnccn3)CC2)n1 ZINC000184494632 138434125 /nfs/dbraw/zinc/43/41/25/138434125.db2.gz MYOPERASIPTGMO-LBPRGKRZSA-N 1 0 288.420 3.182 10 0 CGAERO Cn1ccnc1[C@H]([NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12)C1CC1 ZINC000245903308 138527546 /nfs/dbraw/zinc/52/75/46/138527546.db2.gz SRWBFXAMBZMGBA-BRSBDYLESA-N 1 0 293.414 3.047 10 0 CGAERO CCN1CCC[C@H]([NH2+][C@H](CC(C)C)c2ccccn2)C1 ZINC000246903662 138539675 /nfs/dbraw/zinc/53/96/75/138539675.db2.gz FZXRUXRDASYLOI-DOTOQJQBSA-N 1 0 275.440 3.243 10 0 CGAERO C[C@H](Cc1ccc(O)cc1)[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000294701421 199141697 /nfs/dbraw/zinc/14/16/97/199141697.db2.gz OCCSHVXLYWJBBY-MGPQQGTHSA-N 1 0 277.408 3.116 10 0 CGAERO COCCC[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000178052163 189088258 /nfs/dbraw/zinc/08/82/58/189088258.db2.gz QXYWFCXUSAAGGB-QWRGUYRKSA-N 1 0 257.324 3.431 10 0 CGAERO Cc1cnn(CC[NH2+][C@H](c2ccc(C)cc2)C2CC2)c1 ZINC000180158267 189240189 /nfs/dbraw/zinc/24/01/89/189240189.db2.gz WYFUCEHKIXZOKB-QGZVFWFLSA-N 1 0 269.392 3.241 10 0 CGAERO C[C@H]([NH2+]Cc1nc2ccccc2n1C(F)F)[C@H]1CCCO1 ZINC000183134737 189348147 /nfs/dbraw/zinc/34/81/47/189348147.db2.gz QXXGBAPEGUYTMO-GXFFZTMASA-N 1 0 295.333 3.089 10 0 CGAERO CC(C)c1nnc(C[NH2+][C@H](Cc2ccccc2)C2CC2)n1C ZINC000183399171 189357975 /nfs/dbraw/zinc/35/79/75/189357975.db2.gz BRPZSHFVGGKUKJ-MRXNPFEDSA-N 1 0 298.434 3.049 10 0 CGAERO CCc1cc(NC[C@H]2CCC[C@@H]2O)c2ccccc2[nH+]1 ZINC000301802637 201206178 /nfs/dbraw/zinc/20/61/78/201206178.db2.gz TYKKTLYTXRZJGT-PXAZEXFGSA-N 1 0 270.376 3.370 10 0 CGAERO CC(C)c1nnc(C[NH2+][C@@H]2CCC(C)(C)C[C@@H]2C)n1C ZINC000120930740 370815024 /nfs/dbraw/zinc/81/50/24/370815024.db2.gz XPIDDAHTBUATKC-QWHCGFSZSA-N 1 0 278.444 3.243 10 0 CGAERO Cc1ccc(C[NH2+]C[C@H]2CCC[C@H]2O)cc1Br ZINC000121059280 370826668 /nfs/dbraw/zinc/82/66/68/370826668.db2.gz WHQIKJZEUPUABX-TZMCWYRMSA-N 1 0 298.224 3.008 10 0 CGAERO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)CC1CCC(F)(F)CC1 ZINC000459345203 242083906 /nfs/dbraw/zinc/08/39/06/242083906.db2.gz AORKUMARQIRYHP-LLVKDONJSA-N 1 0 291.382 3.474 10 0 CGAERO CC(C)(C)OC(=O)N[C@H](CC[NH3+])c1ccc(Cl)cc1 ZINC000002527657 368460481 /nfs/dbraw/zinc/46/04/81/368460481.db2.gz ASWDIABJPCJCQT-GFCCVEGCSA-N 1 0 284.787 3.255 10 0 CGAERO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC000012328995 368608237 /nfs/dbraw/zinc/60/82/37/368608237.db2.gz MTQYIGHOARHUKG-NEXMIYJRSA-N 1 0 278.783 3.090 10 0 CGAERO Oc1cc2c(cc1Cl)C[NH2+]C[C@@H]2c1ccccc1 ZINC000013675869 368660792 /nfs/dbraw/zinc/66/07/92/368660792.db2.gz MGAQDUSMABIJCH-CYBMUJFWSA-N 1 0 259.736 3.281 10 0 CGAERO CC[NH+](CC)CCNC(=S)Nc1ccccc1C(C)C ZINC000016210838 368710186 /nfs/dbraw/zinc/71/01/86/368710186.db2.gz HLIFWDDNCPSQBI-UHFFFAOYSA-N 1 0 293.480 3.438 10 0 CGAERO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@H](C)C(C)C ZINC000016518482 368714794 /nfs/dbraw/zinc/71/47/94/368714794.db2.gz BHYKISRSWSGOCS-MNOVXSKESA-N 1 0 298.814 3.310 10 0 CGAERO CCOc1ccccc1[C@H](C[NH3+])N1C[C@H](C)C[C@H](C)C1 ZINC000022853968 368813087 /nfs/dbraw/zinc/81/30/87/368813087.db2.gz BMBPIZPLSGZGKK-LZWOXQAQSA-N 1 0 276.424 3.063 10 0 CGAERO Cc1ccc([C@@H]([NH3+])[C@H]2COc3ccccc3O2)cc1C ZINC000034972082 368984076 /nfs/dbraw/zinc/98/40/76/368984076.db2.gz LYTSCXJQUQCKIZ-IAGOWNOFSA-N 1 0 269.344 3.143 10 0 CGAERO Cc1ccc([C@@H]([NH3+])c2ccc3c(c2)OCO3)cc1C ZINC000034972110 368984233 /nfs/dbraw/zinc/98/42/33/368984233.db2.gz QUQCELUPIZIUMS-MRXNPFEDSA-N 1 0 255.317 3.080 10 0 CGAERO COCC[NH2+]Cc1ccccc1OCc1ccccc1C ZINC000032132476 368926338 /nfs/dbraw/zinc/92/63/38/368926338.db2.gz WQCUFZBJFSIHDJ-UHFFFAOYSA-N 1 0 285.387 3.310 10 0 CGAERO Cc1cccc([C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH3+])c1 ZINC000032629324 368939720 /nfs/dbraw/zinc/93/97/20/368939720.db2.gz RUNXGQHSGMQABU-CABCVRRESA-N 1 0 290.407 3.047 10 0 CGAERO CC[C@H](C)[N@@H+](Cc1cccs1)C[C@H](O)COC(C)C ZINC000036103404 369009208 /nfs/dbraw/zinc/00/92/08/369009208.db2.gz SMJDLRXKOSPJJP-KBPBESRZSA-N 1 0 285.453 3.135 10 0 CGAERO CCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000036959523 369042990 /nfs/dbraw/zinc/04/29/90/369042990.db2.gz MYCVAIUDIMXCFV-VHSXEESVSA-N 1 0 286.778 3.044 10 0 CGAERO Cc1ccc(Cl)cc1NC(=O)C1CCC([NH3+])CC1 ZINC000037623315 369093530 /nfs/dbraw/zinc/09/35/30/369093530.db2.gz GBSHVXGWMPEOAD-UHFFFAOYSA-N 1 0 266.772 3.104 10 0 CGAERO CCN1CCC[C@@H]([NH2+]Cc2ccccc2Br)C1 ZINC000040502432 369157999 /nfs/dbraw/zinc/15/79/99/369157999.db2.gz HHIMGWLWRIEREN-CYBMUJFWSA-N 1 0 297.240 3.023 10 0 CGAERO C[C@H]([NH2+]Cc1cn[nH]c1)c1ccc(F)c(Cl)c1 ZINC000038006077 369138238 /nfs/dbraw/zinc/13/82/38/369138238.db2.gz REIZFPYYKNGWFK-QMMMGPOBSA-N 1 0 253.708 3.053 10 0 CGAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2ccccc2Cl)C1 ZINC000040502167 369158229 /nfs/dbraw/zinc/15/82/29/369158229.db2.gz YQPAIXNGXQNFAC-STQMWFEESA-N 1 0 266.816 3.475 10 0 CGAERO CC[C@H](C)NC(=O)CC[NH2+]C1CC(c2cccc(C)c2)C1 ZINC000038014050 369141975 /nfs/dbraw/zinc/14/19/75/369141975.db2.gz UIBOHFOESPWRCP-OOHWJJMZSA-N 1 0 288.435 3.135 10 0 CGAERO Cc1cc(C)cc(C[NH2+][C@H](CC(C)C)CN(C)C)c1 ZINC000042323082 369213839 /nfs/dbraw/zinc/21/38/39/369213839.db2.gz ONALFHGEBSVDFA-QGZVFWFLSA-N 1 0 262.441 3.369 10 0 CGAERO [NH3+][C@H]1CCC[C@@H]1Cc1cccc(Br)c1 ZINC000042397775 369220145 /nfs/dbraw/zinc/22/01/45/369220145.db2.gz HNKSBHUFZDFFLF-PWSUYJOCSA-N 1 0 254.171 3.119 10 0 CGAERO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400526011 299400956 /nfs/dbraw/zinc/40/09/56/299400956.db2.gz QBVMIYRHXCRSGP-ZQNQSHIBSA-N 1 0 294.439 3.020 10 0 CGAERO CCn1nc(C)c([C@@H](C)[NH2+]Cc2ccc(OC)cc2)c1C ZINC000045167274 369276655 /nfs/dbraw/zinc/27/66/55/369276655.db2.gz WKGWRMBDJZMXJI-GFCCVEGCSA-N 1 0 287.407 3.379 10 0 CGAERO CCn1nc(C)c([C@H](C)[NH2+]Cc2ccc(OC)cc2)c1C ZINC000045167276 369276815 /nfs/dbraw/zinc/27/68/15/369276815.db2.gz WKGWRMBDJZMXJI-LBPRGKRZSA-N 1 0 287.407 3.379 10 0 CGAERO OCCC[C@@H]1CCC[N@@H+]1Cc1ccc(Br)cc1 ZINC000052762326 369470485 /nfs/dbraw/zinc/47/04/85/369470485.db2.gz DYDGRSGYIGQURZ-AWEZNQCLSA-N 1 0 298.224 3.186 10 0 CGAERO CC(C)c1nc(C[N@@H+]2CCC[C@H]2CCCO)cs1 ZINC000052762536 369470760 /nfs/dbraw/zinc/47/07/60/369470760.db2.gz TZAQJJCCCDSSRQ-ZDUSSCGKSA-N 1 0 268.426 3.003 10 0 CGAERO C[C@@H]1CCCC[C@@H]1N(CCC[NH3+])C(=O)OC(C)(C)C ZINC000058040314 369553035 /nfs/dbraw/zinc/55/30/35/369553035.db2.gz GJVQTHYUBITNOA-OLZOCXBDSA-N 1 0 270.417 3.151 10 0 CGAERO O[C@H]1CCC[C@H]1C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000129466985 370989227 /nfs/dbraw/zinc/98/92/27/370989227.db2.gz QMIUYXZJOMAENK-GWCFXTLKSA-N 1 0 291.288 3.095 10 0 CGAERO CCn1nc(C)c([C@@H](C)[NH2+]Cc2ccsc2)c1C ZINC000063152570 369642680 /nfs/dbraw/zinc/64/26/80/369642680.db2.gz ACXXCVMTBPZZMD-SNVBAGLBSA-N 1 0 263.410 3.432 10 0 CGAERO CC1CCC(C[NH2+]CC(=O)Nc2cccc(F)c2)CC1 ZINC000063145481 369642773 /nfs/dbraw/zinc/64/27/73/369642773.db2.gz JYGMTRPHZMXCNR-UHFFFAOYSA-N 1 0 278.371 3.180 10 0 CGAERO CCN(Cc1ccc2ccccc2n1)C[C@H]1CC[N@H+](C)C1 ZINC000065492267 369678491 /nfs/dbraw/zinc/67/84/91/369678491.db2.gz MPTUWFIXZMCCKG-HNNXBMFYSA-N 1 0 283.419 3.008 10 0 CGAERO [NH3+][C@@H]1CCCc2c1cnn2-c1cccc(C(F)(F)F)c1 ZINC000066055258 369686587 /nfs/dbraw/zinc/68/65/87/369686587.db2.gz LRTHPBKGLBFENV-GFCCVEGCSA-N 1 0 281.281 3.227 10 0 CGAERO C[C@@H](N[C@@H](C)c1ccccc1Br)[C@H]1CC[NH2+]C1 ZINC000400799361 296151355 /nfs/dbraw/zinc/15/13/55/296151355.db2.gz UDIMHBQIGNHDPB-WOPDTQHZSA-N 1 0 297.240 3.098 10 0 CGAERO Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cccc(O)c3)C2)n1 ZINC000092813325 370103272 /nfs/dbraw/zinc/10/32/72/370103272.db2.gz SOTOMQYTNKSVFW-INIZCTEOSA-N 1 0 297.402 3.030 10 0 CGAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccc(F)cc1F ZINC000094434388 370168687 /nfs/dbraw/zinc/16/86/87/370168687.db2.gz MVKFNHHVKUEBLK-SWLSCSKDSA-N 1 0 280.362 3.023 10 0 CGAERO CSc1nc(Cl)cc(SC[C@H]2CCCC[NH2+]2)n1 ZINC000095071811 370169875 /nfs/dbraw/zinc/16/98/75/370169875.db2.gz RCIHKMNPAXEXLS-MRVPVSSYSA-N 1 0 289.857 3.086 10 0 CGAERO Clc1ccc(COCCC[C@@H]2CCCC[NH2+]2)cn1 ZINC000095069867 370170156 /nfs/dbraw/zinc/17/01/56/370170156.db2.gz JCYXIVIYKGQWPI-ZDUSSCGKSA-N 1 0 268.788 3.174 10 0 CGAERO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cncs2)C12CCCC2 ZINC000093610978 370148750 /nfs/dbraw/zinc/14/87/50/370148750.db2.gz OGAGAJLIDXNYKO-UONOGXRCSA-N 1 0 280.437 3.313 10 0 CGAERO COc1c(C[N@H+](CC(C)C)CC(C)(C)C)c(C)nn1C ZINC000093817044 370161516 /nfs/dbraw/zinc/16/15/16/370161516.db2.gz DXXQXCWPSHXYRL-UHFFFAOYSA-N 1 0 281.444 3.241 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCCOC1)c1ccc(F)cc1Cl ZINC000103959418 370334692 /nfs/dbraw/zinc/33/46/92/370334692.db2.gz ZVOJANCTOFIWCX-GXSJLCMTSA-N 1 0 257.736 3.309 10 0 CGAERO C[C@H]([NH2+]Cc1cnc[nH]1)c1ccc2ccccc2c1 ZINC000112337912 370420390 /nfs/dbraw/zinc/42/03/90/370420390.db2.gz MACFJLVZWRQISQ-LBPRGKRZSA-N 1 0 251.333 3.414 10 0 CGAERO Cn1ncc(Cl)c1C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000130420104 371031567 /nfs/dbraw/zinc/03/15/67/371031567.db2.gz HGAGORBOGTVJFO-RKDXNWHRSA-N 1 0 295.736 3.284 10 0 CGAERO Cc1ccc([C@H](C)N[C@@H](C)c2nnc3n2CCCC3)cc1 ZINC000131128495 371086124 /nfs/dbraw/zinc/08/61/24/371086124.db2.gz AXBPONYKGDQGOW-KBPBESRZSA-N 1 0 284.407 3.335 10 0 CGAERO C[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)C1 ZINC000133379439 371246881 /nfs/dbraw/zinc/24/68/81/371246881.db2.gz NUURCLMBSGAMBT-IIAWOOMASA-N 1 0 261.413 3.383 10 0 CGAERO C[C@H]1CCN(Cc2ccc(Cl)c(F)c2)[C@@H](C[NH3+])C1 ZINC000235665032 189829897 /nfs/dbraw/zinc/82/98/97/189829897.db2.gz OSPCYLVVBKHEMV-CMPLNLGQSA-N 1 0 270.779 3.038 10 0 CGAERO C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1cc2c(s1)CCCC2 ZINC000134245082 371315025 /nfs/dbraw/zinc/31/50/25/371315025.db2.gz WMBRYNRYLFGCRK-GVXVVHGQSA-N 1 0 265.422 3.455 10 0 CGAERO CCCOc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H]2C)cc1 ZINC000135310803 371413724 /nfs/dbraw/zinc/41/37/24/371413724.db2.gz AIPYFKGJACYMNR-WOSRLPQWSA-N 1 0 263.381 3.303 10 0 CGAERO Cc1ccncc1C[NH2+]Cc1ccc(-c2cc[nH]n2)cc1 ZINC000135455703 371429449 /nfs/dbraw/zinc/42/94/49/371429449.db2.gz HAXDGMDPJDLHBG-UHFFFAOYSA-N 1 0 278.359 3.070 10 0 CGAERO Cc1ccc(C[C@H](C)[N@H+](C)C[C@H](O)COC(C)(C)C)cc1 ZINC000151133572 371573797 /nfs/dbraw/zinc/57/37/97/371573797.db2.gz YDTJUNPDHJBUCI-RDJZCZTQSA-N 1 0 293.451 3.034 10 0 CGAERO Cn1cccc1C[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000152993627 371741160 /nfs/dbraw/zinc/74/11/60/371741160.db2.gz FCFSVNYQIZUHDF-OAHLLOKOSA-N 1 0 270.376 3.417 10 0 CGAERO Fc1ccc(CC[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1F ZINC000153929551 371800307 /nfs/dbraw/zinc/80/03/07/371800307.db2.gz NGNMPBVCQXBQOH-MRXNPFEDSA-N 1 0 291.345 3.458 10 0 CGAERO CCCCC[N@H+](Cc1c(C)nn(C)c1OC)C(C)C ZINC000154354215 371838481 /nfs/dbraw/zinc/83/84/81/371838481.db2.gz HBUPCVGBXIOZKP-UHFFFAOYSA-N 1 0 267.417 3.138 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1cccc(Cl)c1 ZINC000037165268 541862261 /nfs/dbraw/zinc/86/22/61/541862261.db2.gz DKSLLKVJUWPPEV-GDLCADMTSA-N 1 0 253.773 3.294 10 0 CGAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000037164754 541862683 /nfs/dbraw/zinc/86/26/83/541862683.db2.gz PZHNPUPGVWAWLT-BARDWOONSA-N 1 0 253.430 3.484 10 0 CGAERO CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(C)c1 ZINC000157313340 372015210 /nfs/dbraw/zinc/01/52/10/372015210.db2.gz QFXXTNUWBIBIAK-KBPBESRZSA-N 1 0 276.424 3.339 10 0 CGAERO F[C@@]1(c2cscc2Br)CCC[NH2+]C1 ZINC000158091740 372052202 /nfs/dbraw/zinc/05/22/02/372052202.db2.gz HSFHMGIBAAQQPD-VIFPVBQESA-N 1 0 264.163 3.059 10 0 CGAERO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H](C)C(C)C)cc1 ZINC000159060493 372103661 /nfs/dbraw/zinc/10/36/61/372103661.db2.gz DZGPKYPVZURHSW-OLZOCXBDSA-N 1 0 298.452 3.143 10 0 CGAERO CCc1ccccc1-c1nc(C2([NH3+])CCCCC2)no1 ZINC000162166396 372378427 /nfs/dbraw/zinc/37/84/27/372378427.db2.gz DCRMFDROTJBJJM-UHFFFAOYSA-N 1 0 271.364 3.417 10 0 CGAERO CCc1ccsc1C(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000167389615 372593795 /nfs/dbraw/zinc/59/37/95/372593795.db2.gz GTIBXKXVIDSFCA-UHFFFAOYSA-N 1 0 286.400 3.209 10 0 CGAERO C[NH+](C)CCOc1ccc2c(ccc3c2CCCC3=O)c1 ZINC000169320657 372630103 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[NH3+][C@@H](c1ccc2c(c1)CC(=O)N2)c1ccc(Cl)cc1F ZINC000019969695 170952061 /nfs/dbraw/zinc/95/20/61/170952061.db2.gz AESNSEYSYLGUHS-HNNXBMFYSA-N 1 0 290.725 3.022 10 0 CGAERO Fc1ccc(C[NH2+]Cc2ccncc2)cc1Br ZINC000020140204 171026575 /nfs/dbraw/zinc/02/65/75/171026575.db2.gz FIDYQPVNYJNJPT-UHFFFAOYSA-N 1 0 295.155 3.273 10 0 CGAERO CC(C)[C@@H](CN[C@H](C)c1ccccc1F)[NH+](C)C ZINC000020145641 171031358 /nfs/dbraw/zinc/03/13/58/171031358.db2.gz KPTWNEKVLSDALK-IUODEOHRSA-N 1 0 252.377 3.063 10 0 CGAERO CC(C)[C@@H](CN[C@@H](C)c1cc(F)ccc1F)[NH+](C)C ZINC000020145773 171031395 /nfs/dbraw/zinc/03/13/95/171031395.db2.gz GWZGKMNHVLODLS-XHDPSFHLSA-N 1 0 270.367 3.202 10 0 CGAERO C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cnnn2)c1)c1cccs1 ZINC000020148409 171036111 /nfs/dbraw/zinc/03/61/11/171036111.db2.gz KDGHKNRYMVWRHA-NWDGAFQWSA-N 1 0 299.403 3.136 10 0 CGAERO [NH3+]Cc1sc(-c2ccccn2)nc1-c1ccccc1 ZINC000020184384 171047194 /nfs/dbraw/zinc/04/71/94/171047194.db2.gz LIKZXTGFDHWFDL-UHFFFAOYSA-N 1 0 267.357 3.331 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[NH3+][C@@H](c1ccc(Cl)s1)[C@@H]1COc2ccccc2O1 ZINC000020375016 171170271 /nfs/dbraw/zinc/17/02/71/171170271.db2.gz DHOVREXTOVRDEM-GXFFZTMASA-N 1 0 281.764 3.241 10 0 CGAERO [NH3+]CCSCCOc1c(Cl)cccc1Cl ZINC000020399427 171181535 /nfs/dbraw/zinc/18/15/35/171181535.db2.gz OLMNYIKKTIOHMC-UHFFFAOYSA-N 1 0 266.193 3.064 10 0 CGAERO [NH3+][C@@H](Cc1nc2ccccc2o1)c1ccccc1F ZINC000020427978 171193158 /nfs/dbraw/zinc/19/31/58/171193158.db2.gz CHBPXOFSIORSTF-LBPRGKRZSA-N 1 0 256.280 3.209 10 0 CGAERO [NH3+][C@@H](Cc1ccccn1)c1ccc(F)cc1Br ZINC000020429008 171193841 /nfs/dbraw/zinc/19/38/41/171193841.db2.gz WOSPLRLZAFBWBQ-ZDUSSCGKSA-N 1 0 295.155 3.226 10 0 CGAERO Cc1ccc(N[C@@H]2C[NH+]3CCC2CC3)cc1Cl ZINC000020440298 171204432 /nfs/dbraw/zinc/20/44/32/171204432.db2.gz CITRHZOPGJVPCM-CQSZACIVSA-N 1 0 250.773 3.155 10 0 CGAERO Cc1ccc(N[C@H]2C[NH+]3CCC2CC3)c(Cl)c1 ZINC000020470984 171213679 /nfs/dbraw/zinc/21/36/79/171213679.db2.gz YWFYCNUECRTWPZ-AWEZNQCLSA-N 1 0 250.773 3.155 10 0 CGAERO CCCCC[C@@H]([NH3+])c1c(OC)cc(OC)cc1OC ZINC000020481260 171221902 /nfs/dbraw/zinc/22/19/02/171221902.db2.gz XWSRYKBBLKOQKP-GFCCVEGCSA-N 1 0 267.369 3.293 10 0 CGAERO CCCC[NH+](CCCC)[C@@H](CN)c1ccc(C)o1 ZINC000020484749 171224683 /nfs/dbraw/zinc/22/46/83/171224683.db2.gz SNWIAMHJWUKRBM-AWEZNQCLSA-N 1 0 252.402 3.490 10 0 CGAERO CCC[NH2+]CCCOc1cccc(C(F)(F)F)c1 ZINC000020525439 171238036 /nfs/dbraw/zinc/23/80/36/171238036.db2.gz LHSNRFUAYLABFS-UHFFFAOYSA-N 1 0 261.287 3.474 10 0 CGAERO COc1cc(C)ccc1O[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000021008588 171285594 /nfs/dbraw/zinc/28/55/94/171285594.db2.gz FEHNXGMJRLEAMU-UONOGXRCSA-N 1 0 263.381 3.433 10 0 CGAERO COc1cc(C)ccc1O[C@H]1CCCCCC[C@H]1[NH3+] ZINC000021008591 171285674 /nfs/dbraw/zinc/28/56/74/171285674.db2.gz FEHNXGMJRLEAMU-KGLIPLIRSA-N 1 0 263.381 3.433 10 0 CGAERO N[C@@H](C[NH+]1CCCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000021060652 171296653 /nfs/dbraw/zinc/29/66/53/171296653.db2.gz FGPJRGOJZDNUJB-LESVLKBLSA-N 1 0 276.468 3.406 10 0 CGAERO CC1CC[NH+](C[C@H](N)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000021812407 171329606 /nfs/dbraw/zinc/32/96/06/171329606.db2.gz BMZWXGRRCYDLNQ-LESVLKBLSA-N 1 0 276.468 3.262 10 0 CGAERO CCN(CC)CC[NH2+]C[C@H]1CCCc2ccccc21 ZINC000022042359 171350286 /nfs/dbraw/zinc/35/02/86/171350286.db2.gz GJANTPSJGSXSDO-MRXNPFEDSA-N 1 0 260.425 3.038 10 0 CGAERO CCOc1ccccc1OCC[NH2+]Cc1ccccc1 ZINC000022050719 171350725 /nfs/dbraw/zinc/35/07/25/171350725.db2.gz LHJMJOOOLKOGGS-UHFFFAOYSA-N 1 0 271.360 3.254 10 0 in-vitro CGAERO CCC[NH+](CCC)[C@@H](C)C(=O)Nc1ccc(Cl)c(N)c1 ZINC000022154186 171361349 /nfs/dbraw/zinc/36/13/49/171361349.db2.gz QZGUQFRLCMAPDJ-NSHDSACASA-N 1 0 297.830 3.371 10 0 CGAERO COc1ccc2cc([C@@H](CN)[N@H+](C)C(C)C)ccc2c1 ZINC000022170276 171367644 /nfs/dbraw/zinc/36/76/44/171367644.db2.gz RONXEVZILSLSFC-QGZVFWFLSA-N 1 0 272.392 3.188 10 0 CGAERO CC[N@H+]([C@@H](CN)c1ccsc1)C1CCCCC1 ZINC000022176845 171370725 /nfs/dbraw/zinc/37/07/25/171370725.db2.gz LVNRFFFKNFVDID-AWEZNQCLSA-N 1 0 252.427 3.403 10 0 CGAERO CCCN(CCC)[C@H](C[NH3+])c1ccc(F)cc1F ZINC000022214229 171374942 /nfs/dbraw/zinc/37/49/42/171374942.db2.gz XUKPJRGYXRWWAJ-CQSZACIVSA-N 1 0 256.340 3.087 10 0 CGAERO C[C@@H]([NH3+])c1ccc(NC(=O)c2ccc(F)cc2F)cc1 ZINC000022220177 171377354 /nfs/dbraw/zinc/37/73/54/171377354.db2.gz DGYJPIKQDUZFLQ-SECBINFHSA-N 1 0 276.286 3.237 10 0 CGAERO COc1ccc([C@@H](N)[C@@H](C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000022563505 171391302 /nfs/dbraw/zinc/39/13/02/171391302.db2.gz SOFHGKGWRWJUEO-OEUWWYETSA-N 1 0 276.424 3.061 10 0 CGAERO COc1ccc(C)cc1[C@H]([NH3+])COc1ccccc1C ZINC000022565217 171391814 /nfs/dbraw/zinc/39/18/14/171391814.db2.gz VUNBKXCQBCJQPF-OAHLLOKOSA-N 1 0 271.360 3.391 10 0 CGAERO COc1ccc([C@H]([NH3+])[C@@H](C)Oc2ccc(F)cc2)cc1 ZINC000022566667 171392244 /nfs/dbraw/zinc/39/22/44/171392244.db2.gz VOMJAOKEEOZVOB-BDJLRTHQSA-N 1 0 275.323 3.302 10 0 CGAERO c1coc(COCCC[NH2+][C@H]2CCc3ccccc3C2)c1 ZINC000035017566 171934632 /nfs/dbraw/zinc/93/46/32/171934632.db2.gz RZBDLQPIVMRDTE-KRWDZBQOSA-N 1 0 285.387 3.333 10 0 CGAERO C[N@H+](C1CCCCC1)[C@@H]1CCc2ccccc2[C@@H]1N ZINC000035221386 172063852 /nfs/dbraw/zinc/06/38/52/172063852.db2.gz IRMQENGGNLOUGY-SJORKVTESA-N 1 0 258.409 3.266 10 0 CGAERO CCC[C@@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC000035221883 172064614 /nfs/dbraw/zinc/06/46/14/172064614.db2.gz UHAYBNAVCDTZLX-JKIFEVAISA-N 1 0 288.435 3.347 10 0 CGAERO CCN(CC)C(=O)[C@H](C)[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000035224725 172069300 /nfs/dbraw/zinc/06/93/00/172069300.db2.gz SODORVLIKROVNI-WMLDXEAASA-N 1 0 288.435 3.293 10 0 CGAERO CC(C)CC[C@H]([NH3+])c1cc2c(cc1F)NC(=O)CC2 ZINC000035359644 172149835 /nfs/dbraw/zinc/14/98/35/172149835.db2.gz PGMVRVUKMZJDAA-ZDUSSCGKSA-N 1 0 264.344 3.146 10 0 CGAERO [NH3+][C@H](c1ccco1)c1ccc(Br)cc1 ZINC000035379574 172161907 /nfs/dbraw/zinc/16/19/07/172161907.db2.gz NLPZZSIEHBKNIM-NSHDSACASA-N 1 0 252.111 3.090 10 0 CGAERO COc1ccc(F)cc1[C@H]([NH3+])c1ccc(C)s1 ZINC000035381484 172164249 /nfs/dbraw/zinc/16/42/49/172164249.db2.gz DSAKWOYTDCTTDT-ZDUSSCGKSA-N 1 0 251.326 3.252 10 0 CGAERO CCCOc1ccc(C[NH2+]CC)c(OC(F)F)c1 ZINC000035414397 172187772 /nfs/dbraw/zinc/18/77/72/172187772.db2.gz CXXRKKXREQNCNT-UHFFFAOYSA-N 1 0 259.296 3.186 10 0 CGAERO COc1ccc([C@H]([NH3+])c2ccc(C)c(C)c2)cc1F ZINC000035424086 172192873 /nfs/dbraw/zinc/19/28/73/172192873.db2.gz MAMYIEKXBGRWRY-MRXNPFEDSA-N 1 0 259.324 3.499 10 0 CGAERO CC[NH2+]Cc1c(N(CC)[C@@H](C)CC)nc2sccn12 ZINC000035430233 172199547 /nfs/dbraw/zinc/19/95/47/172199547.db2.gz AZXCVCKOFBARCL-NSHDSACASA-N 1 0 280.441 3.130 10 0 CGAERO C[NH2+][C@H](c1ccc(C)s1)[C@H]1Cc2ccccc2O1 ZINC000035458999 172208068 /nfs/dbraw/zinc/20/80/68/172208068.db2.gz ACXFHCCRNFXWMZ-HIFRSBDPSA-N 1 0 259.374 3.321 10 0 CGAERO CCC[C@@H](C)[C@@H]([NH2+]C)c1cc(OC)ccc1OC ZINC000035466667 172214345 /nfs/dbraw/zinc/21/43/45/172214345.db2.gz SZBXUMBHXBIRES-IAQYHMDHSA-N 1 0 251.370 3.401 10 0 CGAERO C[NH2+][C@@H](c1ccc(C)o1)c1ccc(CCOC)cc1 ZINC000035467399 172216229 /nfs/dbraw/zinc/21/62/29/172216229.db2.gz USTOPERWGWCEMM-MRXNPFEDSA-N 1 0 259.349 3.086 10 0 CGAERO C[NH2+][C@H](c1ccc2c(c1)CCO2)c1ccccc1F ZINC000035467893 172216820 /nfs/dbraw/zinc/21/68/20/172216820.db2.gz NQIXQGODGUFWQW-MRXNPFEDSA-N 1 0 257.308 3.069 10 0 CGAERO C[NH2+][C@@H](CCC(C)C)c1ccc(OC)cc1OC ZINC000035488823 172223554 /nfs/dbraw/zinc/22/35/54/172223554.db2.gz NEMVWYCNQNNGSX-AWEZNQCLSA-N 1 0 251.370 3.401 10 0 CGAERO CCC[C@@H](C)[C@@H]([NH2+]C)c1ccc(OC)cc1OC ZINC000035488819 172223915 /nfs/dbraw/zinc/22/39/15/172223915.db2.gz GPTKLFDPESUGMF-IAQYHMDHSA-N 1 0 251.370 3.401 10 0 CGAERO C[NH2+][C@H](c1cc2c(cc1Cl)OCCO2)C(C)(C)C ZINC000035501342 172235886 /nfs/dbraw/zinc/23/58/86/172235886.db2.gz PVDBOZSBTJCTHF-CYBMUJFWSA-N 1 0 269.772 3.418 10 0 CGAERO C[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@@H]1CCCO1 ZINC000035501968 172236489 /nfs/dbraw/zinc/23/64/89/172236489.db2.gz HIBQJMDMQKWLRS-NWDGAFQWSA-N 1 0 260.164 3.433 10 0 CGAERO CC[NH2+][C@H](c1ccc2c(c1)OCCCO2)[C@H]1C[C@@H]1C ZINC000035541574 172249706 /nfs/dbraw/zinc/24/97/06/172249706.db2.gz ARZAJLVRPYVJIM-DETPVDSQSA-N 1 0 261.365 3.155 10 0 CGAERO CC[NH2+][C@H](C)c1cc(OC)c(OC)cc1Br ZINC000035551041 172258372 /nfs/dbraw/zinc/25/83/72/172258372.db2.gz WPEYMTKRCOGYNH-MRVPVSSYSA-N 1 0 288.185 3.137 10 0 CGAERO CC[NH2+][C@H](c1ccc(Cl)s1)c1ccncc1 ZINC000035553089 172259763 /nfs/dbraw/zinc/25/97/63/172259763.db2.gz FTNPNKOVLRBEIF-LBPRGKRZSA-N 1 0 252.770 3.495 10 0 CGAERO CCC[NH2+][C@H](c1ccc(F)c(F)c1)[C@@H]1CCCO1 ZINC000035582484 172280427 /nfs/dbraw/zinc/28/04/27/172280427.db2.gz TUEYIOZCTADSNS-UONOGXRCSA-N 1 0 255.308 3.185 10 0 CGAERO CCC[NH2+][C@@H](c1cnn(C)c1)c1ccccc1Cl ZINC000035584139 172283589 /nfs/dbraw/zinc/28/35/89/172283589.db2.gz SFFLEGAKQPFUOC-AWEZNQCLSA-N 1 0 263.772 3.163 10 0 CGAERO CC[NH2+]Cc1c(OCCOCC)ccc2ccccc21 ZINC000035630654 172312210 /nfs/dbraw/zinc/31/22/10/172312210.db2.gz AIPLGPRGVZFSGV-UHFFFAOYSA-N 1 0 273.376 3.365 10 0 CGAERO CC[NH2+][C@H]1CCCOc2c(Br)cc(F)cc21 ZINC000035655154 172331748 /nfs/dbraw/zinc/33/17/48/172331748.db2.gz FUIMJJVOORMLLJ-NSHDSACASA-N 1 0 288.160 3.411 10 0 CGAERO CN(Cc1cccs1)[C@@H](C[NH3+])C1CCCCC1 ZINC000035716912 172370856 /nfs/dbraw/zinc/37/08/56/172370856.db2.gz XDRIINSKXDMGJW-AWEZNQCLSA-N 1 0 252.427 3.088 10 0 CGAERO C[N@H+](Cc1cccs1)Cc1ccc(C(N)=S)cc1 ZINC000035717431 172371547 /nfs/dbraw/zinc/37/15/47/172371547.db2.gz JOQBATGPZZEJQO-UHFFFAOYSA-N 1 0 276.430 3.014 10 0 CGAERO C[C@H]1CCCC[C@@]1(C[NH3+])N(C)Cc1cccs1 ZINC000035717172 172371728 /nfs/dbraw/zinc/37/17/28/172371728.db2.gz WKCPCXKCBCCONK-JSGCOSHPSA-N 1 0 252.427 3.088 10 0 CGAERO CN(Cc1ccsc1)[C@@H](C[NH3+])C1CCCCC1 ZINC000035718757 172373574 /nfs/dbraw/zinc/37/35/74/172373574.db2.gz IDJMAFKEMYBZMW-AWEZNQCLSA-N 1 0 252.427 3.088 10 0 CGAERO [NH3+]Cc1ccnc(Sc2ccccc2Br)c1 ZINC000035719924 172374802 /nfs/dbraw/zinc/37/48/02/172374802.db2.gz KQOHMPFXWLWXGD-UHFFFAOYSA-N 1 0 295.205 3.454 10 0 CGAERO CC[C@@H]1CC[C@@H](C[NH3+])[C@H](Sc2ccccn2)C1 ZINC000035723867 172379444 /nfs/dbraw/zinc/37/94/44/172379444.db2.gz COZYHKWZUZLLOJ-FRRDWIJNSA-N 1 0 250.411 3.327 10 0 CGAERO Cc1csc(SCc2ccc(C[NH3+])cc2F)n1 ZINC000035724618 172380276 /nfs/dbraw/zinc/38/02/76/172380276.db2.gz IGGKTBXRWSTOPS-UHFFFAOYSA-N 1 0 268.382 3.342 10 0 CGAERO [NH3+]Cc1cccc(COc2ccc(Br)cc2)c1 ZINC000035726323 172380591 /nfs/dbraw/zinc/38/05/91/172380591.db2.gz KDCOEHFBTHNKBF-UHFFFAOYSA-N 1 0 292.176 3.487 10 0 CGAERO C[C@@H]1C[C@H]([NH3+])c2cccc(Br)c2S1 ZINC000035751987 172396324 /nfs/dbraw/zinc/39/63/24/172396324.db2.gz DOSSECVAWIYCME-MUWHJKNJSA-N 1 0 258.184 3.333 10 0 CGAERO COc1ccc([C@@H]([NH3+])Cc2nc(C)c(C)s2)cc1 ZINC000036279511 172570522 /nfs/dbraw/zinc/57/05/22/172570522.db2.gz LDHNGSUEQCLQJI-ZDUSSCGKSA-N 1 0 262.378 3.011 10 0 CGAERO C[NH2+]Cc1ccccc1NC(=O)c1cccc(Cl)c1 ZINC000036280786 172571190 /nfs/dbraw/zinc/57/11/90/172571190.db2.gz CZEDJWJXKMYHNO-UHFFFAOYSA-N 1 0 274.751 3.312 10 0 CGAERO [NH3+][C@@H](CCC1CCCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000036892129 172785041 /nfs/dbraw/zinc/78/50/41/172785041.db2.gz NZVVANZRQXKRIE-LBPRGKRZSA-N 1 0 260.337 3.091 10 0 CGAERO Cc1ccc([C@H](C[NH3+])N2CCc3ccccc32)s1 ZINC000036906742 172795394 /nfs/dbraw/zinc/79/53/94/172795394.db2.gz MDVFXOFSPWUPNG-AWEZNQCLSA-N 1 0 258.390 3.119 10 0 CGAERO COc1cc(C)ccc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000037242743 173058414 /nfs/dbraw/zinc/05/84/14/173058414.db2.gz MPJSALHDLSPDMU-GUTXKFCHSA-N 1 0 263.381 3.222 10 0 CGAERO Cc1ccc(N(CCC[NH3+])C(=O)CCC(C)C)cc1 ZINC000037297342 173101315 /nfs/dbraw/zinc/10/13/15/173101315.db2.gz VOYAIHMTYDTOMQ-UHFFFAOYSA-N 1 0 262.397 3.113 10 0 CGAERO COc1cccc([C@@](C)([NH3+])Cc2cccc(C)c2)c1 ZINC000037531518 173253544 /nfs/dbraw/zinc/25/35/44/173253544.db2.gz QFRWXFWXFDOAOL-KRWDZBQOSA-N 1 0 255.361 3.420 10 0 CGAERO C[NH2+][C@@H](Cc1cccc(Cl)c1)Cc1ccccn1 ZINC000037535361 173254655 /nfs/dbraw/zinc/25/46/55/173254655.db2.gz VEMKARKQSPNYNE-HNNXBMFYSA-N 1 0 260.768 3.108 10 0 CGAERO CCCCCN(CCCCC)C(=O)[C@@](C)([NH3+])C1CC1 ZINC000037814496 173762595 /nfs/dbraw/zinc/76/25/95/173762595.db2.gz GEMOLLGNWFZQGK-INIZCTEOSA-N 1 0 268.445 3.323 10 0 CGAERO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CC1CCC(CC)CC1 ZINC000037905858 173838341 /nfs/dbraw/zinc/83/83/41/173838341.db2.gz CJYXQJNXRUUIQL-LMRVLLHPSA-N 1 0 268.445 3.096 10 0 CGAERO Cc1ccsc1[C@H]([NH3+])c1ccc2c(c1)CCCO2 ZINC000038057652 174067941 /nfs/dbraw/zinc/06/79/41/174067941.db2.gz YGIVAVYEWHCMOX-CQSZACIVSA-N 1 0 259.374 3.430 10 0 CGAERO Cc1cc(C)c([C@H](C)[NH2+]CC[C@@H]2CCCO2)c(C)n1 ZINC000038096400 174110186 /nfs/dbraw/zinc/11/01/86/174110186.db2.gz KXPQVTZCTJLNBG-ZFWWWQNUSA-N 1 0 262.397 3.227 10 0 CGAERO CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000038101391 174117205 /nfs/dbraw/zinc/11/72/05/174117205.db2.gz MTYDZICRZRWXFO-SUNKGSAMSA-N 1 0 282.815 3.233 10 0 CGAERO C[C@@](CO)([NH2+]C1CCCC1)c1ccc(Br)cc1 ZINC000038122794 174130319 /nfs/dbraw/zinc/13/03/19/174130319.db2.gz MQFOPNQPOFLUNZ-AWEZNQCLSA-N 1 0 298.224 3.189 10 0 CGAERO [NH3+][C@@H](Cc1c(F)cccc1Cl)c1ccncc1 ZINC000038128007 174132019 /nfs/dbraw/zinc/13/20/19/174132019.db2.gz VJNAKRCISCFXME-ZDUSSCGKSA-N 1 0 250.704 3.117 10 0 CGAERO C[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000040419150 174256709 /nfs/dbraw/zinc/25/67/09/174256709.db2.gz UGCAFZSYCKDTNK-UHFFFAOYSA-N 1 0 283.194 3.292 10 0 CGAERO Cc1cccc(Nc2ncnc(Nc3cc[nH+]cc3)c2N)c1 ZINC000040687595 174375865 /nfs/dbraw/zinc/37/58/65/174375865.db2.gz SCLOWTAFEMJHFL-UHFFFAOYSA-N 1 0 292.346 3.249 10 0 CGAERO C[C@@H]([NH3+])c1c(F)cccc1Oc1ccc(CO)cc1 ZINC000040711156 174381171 /nfs/dbraw/zinc/38/11/71/174381171.db2.gz WDPUGULRWJZXJB-SNVBAGLBSA-N 1 0 261.296 3.130 10 0 CGAERO COc1cccc(Cn2cc(CC[NH3+])c3ccccc32)c1 ZINC000041436051 174552710 /nfs/dbraw/zinc/55/27/10/174552710.db2.gz YETHQVLYZAENRA-UHFFFAOYSA-N 1 0 280.371 3.199 10 0 CGAERO CC[C@@H]([NH3+])[C@@H](Sc1nncs1)c1ccc(OC)cc1 ZINC000042964722 174928229 /nfs/dbraw/zinc/92/82/29/174928229.db2.gz JCYXCVRCQOOEHR-NEPJUHHUSA-N 1 0 295.433 3.117 10 0 CGAERO COc1ccc([C@H](C[NH3+])OCCc2cccs2)cc1 ZINC000042964181 174928375 /nfs/dbraw/zinc/92/83/75/174928375.db2.gz MMRCGGBONYYSEN-HNNXBMFYSA-N 1 0 277.389 3.016 10 0 CGAERO CCCCOCCO[C@@H](c1cccc(C)c1)[C@@H](C)[NH3+] ZINC000042968896 174932690 /nfs/dbraw/zinc/93/26/90/174932690.db2.gz IASJUVZIWXMYIS-GDBMZVCRSA-N 1 0 265.397 3.217 10 0 CGAERO Cc1ccccc1[C@@H]([C@@H](C)[NH3+])N(C)Cc1ccco1 ZINC000043034777 174950511 /nfs/dbraw/zinc/95/05/11/174950511.db2.gz PHMCKDVZEOZKQU-CZUORRHYSA-N 1 0 258.365 3.108 10 0 CGAERO C[C@H]([NH3+])[C@H](c1ccccc1Cl)N(C)CC(F)(F)F ZINC000043051714 174959527 /nfs/dbraw/zinc/95/95/27/174959527.db2.gz UBMCVXSLSJPAJJ-GZMMTYOYSA-N 1 0 280.721 3.222 10 0 CGAERO C[C@H]([NH3+])[C@@H](Oc1ccc(F)cc1F)c1cccs1 ZINC000043107745 174973279 /nfs/dbraw/zinc/97/32/79/174973279.db2.gz OTUFYMFQKCLYPY-ISVAXAHUSA-N 1 0 269.316 3.494 10 0 CGAERO Nc1cc[nH+]c(Nc2ccccc2Br)c1 ZINC000043568742 175067323 /nfs/dbraw/zinc/06/73/23/175067323.db2.gz CLIFQQQGJLKGLC-UHFFFAOYSA-N 1 0 264.126 3.170 10 0 CGAERO CCOc1ccc([C@@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000044121698 175143144 /nfs/dbraw/zinc/14/31/44/175143144.db2.gz YIUZBTZEXISHHP-VBQJREDUSA-N 1 0 277.408 3.382 10 0 CGAERO c1sc(N2CC[NH2+]CC2)nc1-c1ccc2ccccc2c1 ZINC000044494106 175181360 /nfs/dbraw/zinc/18/13/60/175181360.db2.gz GTVKURPQFBWWPD-UHFFFAOYSA-N 1 0 295.411 3.373 10 0 CGAERO CC(C)Oc1ccc(NC(=O)C2(C[NH3+])CCCCC2)cc1 ZINC000044762362 175246755 /nfs/dbraw/zinc/24/67/55/175246755.db2.gz NXLCHFHYIRLYEN-UHFFFAOYSA-N 1 0 290.407 3.322 10 0 CGAERO CN(CC(C)(C)C)[C@H](C[NH3+])c1ccc(Cl)s1 ZINC000045065486 175299624 /nfs/dbraw/zinc/29/96/24/175299624.db2.gz RLKZWIYFSYLNJQ-SECBINFHSA-N 1 0 260.834 3.379 10 0 CGAERO CC[N@@H+]1CCC[C@H](Nc2cc(C)c(Br)cn2)C1 ZINC000128390397 287309900 /nfs/dbraw/zinc/30/99/00/287309900.db2.gz YTDIVYIYSFXBAS-NSHDSACASA-N 1 0 298.228 3.049 10 0 CGAERO CCCCCC[NH2+]C[C@H](O)CO[C@@H]1CCCC[C@@H]1C ZINC000070192102 175881572 /nfs/dbraw/zinc/88/15/72/175881572.db2.gz NYTKIZDLKGORLQ-HRCADAONSA-N 1 0 271.445 3.113 10 0 CGAERO Fc1ccc(Br)c2c1CC[NH2+][C@@H]2C1CC1 ZINC000070821326 176007489 /nfs/dbraw/zinc/00/74/89/176007489.db2.gz ZSGSEULCVWWWML-GFCCVEGCSA-N 1 0 270.145 3.185 10 0 CGAERO C[C@@H](CC(=O)N(CC[NH3+])C1CCCC1)CC(C)(C)C ZINC000070943711 176016706 /nfs/dbraw/zinc/01/67/06/176016706.db2.gz HQEPGMKYULINNG-ZDUSSCGKSA-N 1 0 268.445 3.179 10 0 CGAERO CCn1nc(C)c([C@H](C)[NH2+]Cc2scnc2C)c1C ZINC000071213064 176084851 /nfs/dbraw/zinc/08/48/51/176084851.db2.gz GLNLAFOIUVORRV-JTQLQIEISA-N 1 0 278.425 3.136 10 0 CGAERO C[C@H](c1cccnc1)N1Cc2ccc(F)cc2C1=[NH2+] ZINC000071268748 176102051 /nfs/dbraw/zinc/10/20/51/176102051.db2.gz USHDGXXVQNWFHA-SNVBAGLBSA-N 1 0 255.296 3.123 10 0 CGAERO O[C@@H](C[NH2+][C@H]1CCCC[C@@H]1C1CCCCC1)C1CC1 ZINC000071301867 176114404 /nfs/dbraw/zinc/11/44/04/176114404.db2.gz CPWHNDZNEOETCX-IKGGRYGDSA-N 1 0 265.441 3.486 10 0 CGAERO CCCN(c1ccc(C(F)(F)F)cc1)[C@H]1CC[NH2+]C1 ZINC000071332553 176125693 /nfs/dbraw/zinc/12/56/93/176125693.db2.gz ONKKZSKBLWTYKF-ZDUSSCGKSA-N 1 0 272.314 3.284 10 0 CGAERO C[N@H+](CCNc1ccc(Cl)cc1N)C1CCCC1 ZINC000071376953 176141870 /nfs/dbraw/zinc/14/18/70/176141870.db2.gz MHMVIDDXEKCBPT-UHFFFAOYSA-N 1 0 267.804 3.209 10 0 CGAERO C[NH2+]C[C@H](OC)c1ccc(OC(C)C)c(Cl)c1 ZINC000071583376 176208223 /nfs/dbraw/zinc/20/82/23/176208223.db2.gz PBDKPSAXQZTVEW-ZDUSSCGKSA-N 1 0 257.761 3.034 10 0 CGAERO C[NH2+]Cc1ncc(-c2ccc3c(c2)CCCC3)s1 ZINC000071584698 176209587 /nfs/dbraw/zinc/20/95/87/176209587.db2.gz OADBYZXTEHNCEJ-UHFFFAOYSA-N 1 0 258.390 3.408 10 0 CGAERO C[NH2+][C@@H](C(=O)c1ccc(OC(C)C)c(C)c1)C(C)C ZINC000071595896 176219178 /nfs/dbraw/zinc/21/91/78/176219178.db2.gz PNXSVPOFQRUSOZ-OAHLLOKOSA-N 1 0 263.381 3.209 10 0 CGAERO C[NH2+][C@@H](C(C)C)[C@H](O)c1ccc(OC)c(C(C)C)c1 ZINC000071597976 176221647 /nfs/dbraw/zinc/22/16/47/176221647.db2.gz KJKRAAZMHMBTRS-JKSUJKDBSA-N 1 0 265.397 3.096 10 0 CGAERO C[NH2+][C@@H](C(C)C)[C@H](O)c1ccc(OC(C)(C)C)cc1 ZINC000071598017 176221685 /nfs/dbraw/zinc/22/16/85/176221685.db2.gz LLJZFEHEMIYTLF-LSDHHAIUSA-N 1 0 265.397 3.141 10 0 CGAERO O[C@@H](c1ccc(Oc2ccccc2)cc1)[C@@H]1CCC[NH2+]1 ZINC000071600592 176226702 /nfs/dbraw/zinc/22/67/02/176226702.db2.gz DWMMCIGBVZLRDX-IRXDYDNUSA-N 1 0 269.344 3.264 10 0 CGAERO CC[NH2+][C@H](C(=O)c1cc(Cl)ccc1OC)C(C)C ZINC000071600917 176226972 /nfs/dbraw/zinc/22/69/72/176226972.db2.gz HDMDFPSWXAFGIP-ZDUSSCGKSA-N 1 0 269.772 3.165 10 0 CGAERO CCc1c(C[NH3+])cnn1-c1ccc(Cl)cc1Cl ZINC000071601271 176228424 /nfs/dbraw/zinc/22/84/24/176228424.db2.gz LXPGNWOMKDVFRZ-UHFFFAOYSA-N 1 0 270.163 3.200 10 0 CGAERO C[NH2+]C(C)(C)Cc1cc(Br)ccc1F ZINC000076322988 176987277 /nfs/dbraw/zinc/98/72/77/176987277.db2.gz CHMZCIGOCYCXRH-UHFFFAOYSA-N 1 0 260.150 3.129 10 0 CGAERO C[C@H]1CCC[C@@]1(C[NH3+])c1ccccc1Br ZINC000076398020 177015305 /nfs/dbraw/zinc/01/53/05/177015305.db2.gz TUMBWUXNVBDDRH-GWCFXTLKSA-N 1 0 268.198 3.466 10 0 CGAERO CCC[C@H](CC[NH3+])C(=O)Nc1ccc(Cl)cc1 ZINC000076658789 177047510 /nfs/dbraw/zinc/04/75/10/177047510.db2.gz ANTMVHKPTRCOCT-SNVBAGLBSA-N 1 0 254.761 3.044 10 0 CGAERO Cc1cccc(CC[C@@H](CC[NH3+])c2ccncc2)c1 ZINC000076658508 177047862 /nfs/dbraw/zinc/04/78/62/177047862.db2.gz QUEOALQOZJSZGA-INIZCTEOSA-N 1 0 254.377 3.455 10 0 CGAERO CCC[C@@H](CC[NH3+])C(=O)Nc1ccccc1Cl ZINC000076658757 177047979 /nfs/dbraw/zinc/04/79/79/177047979.db2.gz JNUFSUDHSYMSKV-JTQLQIEISA-N 1 0 254.761 3.044 10 0 CGAERO Cc1cccc(C)c1OC[C@@H](CC[NH3+])c1cc[nH]c1 ZINC000076667585 177051724 /nfs/dbraw/zinc/05/17/24/177051724.db2.gz IUFWXCYSPMOTQC-OAHLLOKOSA-N 1 0 258.365 3.143 10 0 CGAERO [NH3+]CC[C@@H](COc1ccccc1F)c1ccccc1 ZINC000076668589 177052574 /nfs/dbraw/zinc/05/25/74/177052574.db2.gz VHKUNVUMMNGXIS-AWEZNQCLSA-N 1 0 259.324 3.337 10 0 CGAERO CCc1cccc(C)c1NC(=O)[C@@H](CC[NH3+])C(C)C ZINC000076675552 177056114 /nfs/dbraw/zinc/05/61/14/177056114.db2.gz PBCIEOOYRGYXOL-AWEZNQCLSA-N 1 0 262.397 3.117 10 0 CGAERO COc1ccc([C@@H](CC[NH3+])C2CCC2)c(OC)c1C ZINC000076678594 177056844 /nfs/dbraw/zinc/05/68/44/177056844.db2.gz 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KTPUREAUHJILGF-ZETCQYMHSA-N 1 0 294.704 3.282 10 0 CGAERO COc1ccc(OC)c([C@H]([NH3+])c2c(C)oc(C)c2C)c1 ZINC000077088671 177212194 /nfs/dbraw/zinc/21/21/94/177212194.db2.gz GNERGUWIOWIDDA-INIZCTEOSA-N 1 0 275.348 3.270 10 0 CGAERO Cc1cc(Cl)ccc1C[NH2+][C@@H]1CCCC[C@H]1CO ZINC000129798519 287339223 /nfs/dbraw/zinc/33/92/23/287339223.db2.gz XWPJJMDXDQEDSX-DZGCQCFKSA-N 1 0 267.800 3.289 10 0 CGAERO O[C@H]1CCC[C@@H]([NH2+]CC2CCC(C(F)(F)F)CC2)C1 ZINC000681006816 543755785 /nfs/dbraw/zinc/75/57/85/543755785.db2.gz CPLLSHJEYDAYBV-TUUUFIMRSA-N 1 0 279.346 3.248 10 0 CGAERO Cc1cnc([C@H](C)[NH2+][C@H](C)Cc2cccs2)o1 ZINC000681082385 543763773 /nfs/dbraw/zinc/76/37/73/543763773.db2.gz NBIYCQKSEPUFJM-KOLCDFICSA-N 1 0 250.367 3.326 10 0 CGAERO Clc1ccc(Cl)c(-c2n[nH]c3c2C[NH2+]CC3)c1 ZINC000725265673 544114805 /nfs/dbraw/zinc/11/48/05/544114805.db2.gz SXEBMTKNHUCXIX-UHFFFAOYSA-N 1 0 268.147 3.029 10 0 CGAERO C[C@H]([NH2+]C1CC(CO)C1)c1cc(Cl)sc1Cl ZINC000658350888 418947636 /nfs/dbraw/zinc/94/76/36/418947636.db2.gz HUBFRRHDRHMNMR-KKMMWDRVSA-N 1 0 280.220 3.476 10 0 CGAERO C[C@@H]([NH2+]C1CC(CO)C1)c1cc2c(s1)CCCC2 ZINC000658352818 418947729 /nfs/dbraw/zinc/94/77/29/418947729.db2.gz BBMWZACCTBYJKX-XSRFYTQQSA-N 1 0 265.422 3.048 10 0 CGAERO CC1(c2ccccc2)CCC([NH2+]C2CC(CO)C2)CC1 ZINC000658357816 418950162 /nfs/dbraw/zinc/95/01/62/418950162.db2.gz WXSMRQGYIBQGDT-UHFFFAOYSA-N 1 0 273.420 3.247 10 0 CGAERO Cc1nc([C@H](C)[NH2+][C@H]2CC[C@@H](C)SC2)cs1 ZINC000655710678 419072498 /nfs/dbraw/zinc/07/24/98/419072498.db2.gz DEPKRENZBNTASP-YWVKMMECSA-N 1 0 256.440 3.386 10 0 CGAERO CCOc1ccccc1[C@H](C)[NH2+][C@H]1CO[C@H](CC)C1 ZINC000657336929 419253726 /nfs/dbraw/zinc/25/37/26/419253726.db2.gz AXQGNKMMRKAHJR-BFHYXJOUSA-N 1 0 263.381 3.303 10 0 CGAERO O[C@H]1CCC[C@@H](C[NH+]2CCC(C3CCC3)CC2)C1 ZINC000661373723 419253863 /nfs/dbraw/zinc/25/38/63/419253863.db2.gz FMZBQKCULPURFB-CJNGLKHVSA-N 1 0 251.414 3.050 10 0 CGAERO CC[C@@H]1C[C@H]([NH2+][C@H]2CCCc3cc(OC)ccc32)CO1 ZINC000657336996 419253960 /nfs/dbraw/zinc/25/39/60/419253960.db2.gz DFRIKRAZKQEJCF-VBQJREDUSA-N 1 0 275.392 3.230 10 0 CGAERO Cc1ncc(C[NH2+]CC2CCC(C(F)(F)F)CC2)n1C ZINC000657382273 419265606 /nfs/dbraw/zinc/26/56/06/419265606.db2.gz JOBZSAWMMSIBRE-UHFFFAOYSA-N 1 0 289.345 3.187 10 0 CGAERO Cc1nc([C@@H](C)[NH2+][C@H]2CCCSCC2)cs1 ZINC000657878803 419402415 /nfs/dbraw/zinc/40/24/15/419402415.db2.gz HOBSHHIHXSZNOV-KOLCDFICSA-N 1 0 256.440 3.388 10 0 CGAERO CC(C)(C)[C@@H]1CCC[C@@H]([NH2+]C2CC(CO)C2)CC1 ZINC000657813094 419364645 /nfs/dbraw/zinc/36/46/45/419364645.db2.gz QJXPSDKHLCFRBB-PIOWNMBXSA-N 1 0 253.430 3.342 10 0 CGAERO [NH3+]C[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1c1ccccc1 ZINC000662273771 419380925 /nfs/dbraw/zinc/38/09/25/419380925.db2.gz ZZQVLVYKADMGKD-MSOLQXFVSA-N 1 0 272.436 3.241 10 0 CGAERO C[C@@H]1CC(C[NH2+][C@H]2CCCSCC2)C[C@@H](C)O1 ZINC000658002558 419489831 /nfs/dbraw/zinc/48/98/31/419489831.db2.gz VXJNQPAJSMXSRI-BZPMIXESSA-N 1 0 257.443 3.065 10 0 CGAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC(C)(C)CC(C)(C)C1 ZINC000662658246 419475162 /nfs/dbraw/zinc/47/51/62/419475162.db2.gz VVBWKIOGCNDINE-CYBMUJFWSA-N 1 0 268.445 3.035 10 0 CGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCOc3ccccc32)C1(C)C ZINC000085383336 260203666 /nfs/dbraw/zinc/20/36/66/260203666.db2.gz XCBKFMDNEHUGHA-VNQPRFMTSA-N 1 0 275.392 3.303 10 0 CGAERO Cc1cc([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)cs1 ZINC000394523090 261369260 /nfs/dbraw/zinc/36/92/60/261369260.db2.gz WESVPQBUMLFHFU-OBJOEFQTSA-N 1 0 253.411 3.258 10 0 CGAERO Cc1cccc(N[C@H](C)COCc2ccccc2)n1 ZINC000184574054 262287444 /nfs/dbraw/zinc/28/74/44/262287444.db2.gz UJVLGARTLQTHLK-CQSZACIVSA-N 1 0 256.349 3.407 10 0 CGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000231676142 287643321 /nfs/dbraw/zinc/64/33/21/287643321.db2.gz VBCSSKJDLRYZTJ-IAQYHMDHSA-N 1 0 256.349 3.219 10 0 CGAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]C1CCC(C(N)=O)CC1 ZINC000037152244 270028850 /nfs/dbraw/zinc/02/88/50/270028850.db2.gz YOOWWRCYCDFCNE-NEXFUWMNSA-N 1 0 280.456 3.225 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)c1ccccc1F ZINC000037167096 270028921 /nfs/dbraw/zinc/02/89/21/270028921.db2.gz HGFOPODHEKUGDY-ZIAGYGMSSA-N 1 0 266.404 3.453 10 0 CGAERO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(CC)C2)s1 ZINC000041632170 270031514 /nfs/dbraw/zinc/03/15/14/270031514.db2.gz FXWIFSSBYIQWMY-CHWSQXEVSA-N 1 0 266.454 3.445 10 0 CGAERO CC(C)(C)c1ccccc1NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085360842 270043594 /nfs/dbraw/zinc/04/35/94/270043594.db2.gz UJHTVQMTSULXFV-AAEUAGOBSA-N 1 0 260.381 3.050 10 0 CGAERO CC(C)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000105782533 270048076 /nfs/dbraw/zinc/04/80/76/270048076.db2.gz IPZPFIFCIWULIO-KGLIPLIRSA-N 1 0 284.444 3.268 10 0 CGAERO CC/C=C/CC[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000184713503 270059841 /nfs/dbraw/zinc/05/98/41/270059841.db2.gz RPVPSLGQVCJLNC-MUBLQREKSA-N 1 0 261.365 3.465 10 0 CGAERO CCC[C@@H](CC)NC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000195398631 270084783 /nfs/dbraw/zinc/08/47/83/270084783.db2.gz 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CC(C)c1ccc([C@@](C)([NH2+]C2CCCC2)C(N)=O)cc1 ZINC000037969581 278047191 /nfs/dbraw/zinc/04/71/91/278047191.db2.gz GPXADEHTIAWQJU-QGZVFWFLSA-N 1 0 274.408 3.043 10 0 CGAERO C[C@H](N[C@H]1CCC[NH2+][C@@H]1C)c1cccc(OC(F)F)c1 ZINC000396543450 288013752 /nfs/dbraw/zinc/01/37/52/288013752.db2.gz BGTVIFBFUHMJDV-WDMOLILDSA-N 1 0 284.350 3.079 10 0 CGAERO C[C@H](N[C@@H]1CCC[NH2+][C@@H]1C)c1ccc(Br)cc1 ZINC000396620711 288014654 /nfs/dbraw/zinc/01/46/54/288014654.db2.gz IUAPBOZMMNQSCW-MISXGVKJSA-N 1 0 297.240 3.240 10 0 CGAERO C[C@H](N[C@@H]1CCC[NH2+][C@H]1C)c1ccccc1Cl ZINC000396674972 288015415 /nfs/dbraw/zinc/01/54/15/288015415.db2.gz SHNFLJMCSGFVKU-COPLHBTASA-N 1 0 252.789 3.131 10 0 CGAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C)nn2)c(C)c1 ZINC000396712443 288015730 /nfs/dbraw/zinc/01/57/30/288015730.db2.gz MUXSLEKWQCCRDD-CQSZACIVSA-N 1 0 255.365 3.253 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)c1nnc2n1CCCC2 ZINC000248401945 278271935 /nfs/dbraw/zinc/27/19/35/278271935.db2.gz 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ZINC000187371198 280270453 /nfs/dbraw/zinc/27/04/53/280270453.db2.gz WFBMJUCTHOXLPT-WMZOPIPTSA-N 1 0 283.419 3.124 10 0 CGAERO CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+][C@@H]1CCCn2nc(C)nc21 ZINC000090226918 280545635 /nfs/dbraw/zinc/54/56/35/280545635.db2.gz TWJYSUZQANQDTM-REBRKWNGSA-N 1 0 276.428 3.226 10 0 CGAERO Cc1ccc2c(c1)CCCN2C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000261606605 281051913 /nfs/dbraw/zinc/05/19/13/281051913.db2.gz CZSZRTQROREDAB-ZBFHGGJFSA-N 1 0 286.419 3.182 10 0 CGAERO C[C@@]1([NH2+]CCC(Cl)(Cl)Cl)CCO[C@@H]1C1CC1 ZINC000309750293 289202967 /nfs/dbraw/zinc/20/29/67/289202967.db2.gz GMOUCTAZYSYVIX-NXEZZACHSA-N 1 0 286.630 3.294 10 0 CGAERO COc1ccc([C@@H]([NH2+]C[C@H](C)SC)C2CC2)cc1 ZINC000091403102 295216430 /nfs/dbraw/zinc/21/64/30/295216430.db2.gz QXFNAGPAZXILBK-NHYWBVRUSA-N 1 0 265.422 3.487 10 0 CGAERO COc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2CO)cc1F ZINC000269022291 295238836 /nfs/dbraw/zinc/23/88/36/295238836.db2.gz PZRBSULODINYAB-WHOFXGATSA-N 1 0 281.371 3.036 10 0 CGAERO 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JAXMDDOUSSIKNE-IAGOWNOFSA-N 1 0 278.440 3.084 10 0 CGAERO [NH3+][C@H]1CCCc2cn(Cc3cccc(C(F)F)c3)nc21 ZINC000564075577 322019737 /nfs/dbraw/zinc/01/97/37/322019737.db2.gz GNEDCXBWQHGEFE-ZDUSSCGKSA-N 1 0 277.318 3.205 10 0 CGAERO Cc1cnn(C)c1C[NH2+][C@H]1CCCCc2ccccc21 ZINC000394117938 329100445 /nfs/dbraw/zinc/10/04/45/329100445.db2.gz YJZULHZBZCRPRU-INIZCTEOSA-N 1 0 269.392 3.286 10 0 CGAERO Cc1ccc(C)c(OCCOc2cccc(C[NH3+])c2)c1 ZINC000011860780 329301460 /nfs/dbraw/zinc/30/14/60/329301460.db2.gz XZRJVOBKMYWFOG-UHFFFAOYSA-N 1 0 271.360 3.220 10 0 CGAERO C[C@H]1C[C@@H]([NH3+])c2c1c(F)ccc2C(=O)OC(C)(C)C ZINC000536958922 330383857 /nfs/dbraw/zinc/38/38/57/330383857.db2.gz IECFEFNLCCCWJW-GZMMTYOYSA-N 1 0 265.328 3.288 10 0 CGAERO C[C@@H]1CCCC[C@@H]1C[NH+]1CCC(Nc2cccnn2)CC1 ZINC000183054143 335859178 /nfs/dbraw/zinc/85/91/78/335859178.db2.gz MGHPGNJSYVRROR-HUUCEWRRSA-N 1 0 288.439 3.179 10 0 CGAERO Fc1ccccc1OCC[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000194274124 336011521 /nfs/dbraw/zinc/01/15/21/336011521.db2.gz WIAHLHOQWIVJNM-LLVKDONJSA-N 1 0 291.288 3.479 10 0 CGAERO O[C@]12CCCC[C@@H]1C[N@H+](C[C@@H]1CCCCC1(F)F)CC2 ZINC000381594865 336069200 /nfs/dbraw/zinc/06/92/00/336069200.db2.gz FFCHWDIHJSLAMY-ILXRZTDVSA-N 1 0 287.394 3.439 10 0 CGAERO CC(C)[NH2+]C[C@H](OCC(F)(F)F)c1ccccc1F ZINC000050502346 519724672 /nfs/dbraw/zinc/72/46/72/519724672.db2.gz BLNJDLOFDXFMKT-LBPRGKRZSA-N 1 0 279.277 3.444 10 0 CGAERO CCC[NH2+]C[C@@H](C)Sc1nc2ccccc2o1 ZINC000053610376 519921429 /nfs/dbraw/zinc/92/14/29/519921429.db2.gz MTUMLJQMNQQRAC-SNVBAGLBSA-N 1 0 250.367 3.308 10 0 CGAERO CC[NH2+]Cc1cnc(Cc2ccc(Cl)c(Cl)c2)nc1 ZINC000054855688 520014799 /nfs/dbraw/zinc/01/47/99/520014799.db2.gz UNWPMUJFBPODNO-UHFFFAOYSA-N 1 0 296.201 3.484 10 0 CGAERO CCCCCC[C@@H](C)[NH2+][C@H](C)C(=O)N[C@@H](C)CC ZINC000049202705 520117042 /nfs/dbraw/zinc/11/70/42/520117042.db2.gz KDDRQPFXLPPXDV-BFHYXJOUSA-N 1 0 256.434 3.238 10 0 CGAERO CC[NH2+][C@H](CC)c1nnc(-c2ccc(CC)cc2)o1 ZINC000061512658 520185039 /nfs/dbraw/zinc/18/50/39/520185039.db2.gz JNYOYLDFSHDVMB-CYBMUJFWSA-N 1 0 259.353 3.360 10 0 CGAERO CC[NH2+][C@H](CCCCOCC(F)(F)F)C(C)C ZINC000049312809 520185658 /nfs/dbraw/zinc/18/56/58/520185658.db2.gz RMFMAAVKDGFGNI-LLVKDONJSA-N 1 0 255.324 3.370 10 0 CGAERO C[C@@H]1C[C@H](C)CC[N@H+](Cc2nc(-c3ccoc3)no2)C1 ZINC000127354348 533781223 /nfs/dbraw/zinc/78/12/23/533781223.db2.gz ZQIZZSPVGZUEGV-VXGBXAGGSA-N 1 0 275.352 3.198 10 0 CGAERO C/C=C/COc1ncc(C[NH2+]CC(C)C)cc1Cl ZINC000051521643 518518577 /nfs/dbraw/zinc/51/85/77/518518577.db2.gz SRBGNJPPZFTMKX-SNAWJCMRSA-N 1 0 268.788 3.436 10 0 CGAERO CC(C)(C)[NH2+]Cc1coc(Cn2cc(Cl)cn2)c1 ZINC000052577230 518768934 /nfs/dbraw/zinc/76/89/34/518768934.db2.gz FOHSTGXSCONRNW-UHFFFAOYSA-N 1 0 267.760 3.066 10 0 CGAERO CC(C)N(C(=O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1)C(C)C ZINC000102687730 519557123 /nfs/dbraw/zinc/55/71/23/519557123.db2.gz UGNJRGPWVVPMMA-LBPRGKRZSA-N 1 0 298.377 3.261 10 0 CGAERO CC(C)C[NH2+]Cc1cccc(Cn2cc(Cl)cn2)c1 ZINC000052577134 519747541 /nfs/dbraw/zinc/74/75/41/519747541.db2.gz BOTBOWJJXJENAE-UHFFFAOYSA-N 1 0 277.799 3.330 10 0 CGAERO CC(C)[C@H](C[NH3+])Cc1ccccc1Br ZINC000052947167 519815088 /nfs/dbraw/zinc/81/50/88/519815088.db2.gz ZTYGFECKHFAKHO-NSHDSACASA-N 1 0 256.187 3.223 10 0 CGAERO CCCC1CCN([C@@H]2CCCCC[C@H]2[NH2+]C)CC1 ZINC000050893441 519903217 /nfs/dbraw/zinc/90/32/17/519903217.db2.gz MRXQETWLIFGECC-HZPDHXFCSA-N 1 0 252.446 3.419 10 0 CGAERO CC[NH2+]CCCCCOc1ccc(CCOC)cc1 ZINC000052699487 519919319 /nfs/dbraw/zinc/91/93/19/519919319.db2.gz IKCBSTLZKLQYRZ-UHFFFAOYSA-N 1 0 265.397 3.034 10 0 CGAERO CCC[NH2+]Cc1cnc(N2CCCC[C@H]2C)s1 ZINC000054900207 519961336 /nfs/dbraw/zinc/96/13/36/519961336.db2.gz UADCIXVPHDAJFV-LLVKDONJSA-N 1 0 253.415 3.022 10 0 CGAERO CC[NH2+]C[C@H](CCCOCC(F)(F)F)C(C)C ZINC000052971741 519971228 /nfs/dbraw/zinc/97/12/28/519971228.db2.gz JNPHPFZYDOXOCV-NSHDSACASA-N 1 0 255.324 3.227 10 0 CGAERO CCC[NH2+]Cc1sc(N(C)[C@@H](C)CC)nc1CC ZINC000054996778 519975491 /nfs/dbraw/zinc/97/54/91/519975491.db2.gz MHUUVPFHCVRUFF-NSHDSACASA-N 1 0 269.458 3.440 10 0 CGAERO CC[NH2+]Cc1cccc(CN(CC)CC(F)(F)F)c1 ZINC000052503031 520004821 /nfs/dbraw/zinc/00/48/21/520004821.db2.gz SZDYBYBBPYTXFI-UHFFFAOYSA-N 1 0 274.330 3.180 10 0 CGAERO CC[NH2+]Cc1ccoc1COc1ccc(F)c(F)c1 ZINC000052700433 520012762 /nfs/dbraw/zinc/01/27/62/520012762.db2.gz OOEPHHMUWJPAPA-UHFFFAOYSA-N 1 0 267.275 3.246 10 0 CGAERO CC[NH2+][C@@H](C)c1nnc(-c2ccc(Br)cc2)o1 ZINC000050619055 520079363 /nfs/dbraw/zinc/07/93/63/520079363.db2.gz ULGABGIUEUOXOZ-QMMMGPOBSA-N 1 0 296.168 3.170 10 0 CGAERO CC[NH2+][C@@H](C)c1cnc(N(C)CC(C)(C)C)s1 ZINC000054908668 520080299 /nfs/dbraw/zinc/08/02/99/520080299.db2.gz IBEMQQITKLDGGD-JTQLQIEISA-N 1 0 255.431 3.296 10 0 CGAERO CC[NH2+][C@@H](CSC)Cc1c(C)cc(C)cc1C ZINC000054496117 520101224 /nfs/dbraw/zinc/10/12/24/520101224.db2.gz WHASCEKFRUNZIS-CQSZACIVSA-N 1 0 251.439 3.495 10 0 CGAERO CC[NH2+][C@@H](Cc1cccnc1)Cc1ccccc1Cl ZINC000053131633 520106132 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520481503 /nfs/dbraw/zinc/48/15/03/520481503.db2.gz IVKXGCOPIXDUCN-MRXNPFEDSA-N 1 0 270.376 3.205 10 0 CGAERO CCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCc2sccc21 ZINC000061362434 520651690 /nfs/dbraw/zinc/65/16/90/520651690.db2.gz VEVIKMBRKOYSLV-DGCLKSJQSA-N 1 0 280.437 3.020 10 0 CGAERO CCN(CCCCC[NH2+]CC(C)C)CC(F)(F)F ZINC000052503147 521001960 /nfs/dbraw/zinc/00/19/60/521001960.db2.gz UHEBDVUKSPOOPQ-UHFFFAOYSA-N 1 0 268.367 3.287 10 0 CGAERO CCCC[C@@H](C[NH3+])Nc1cc(C)c(Br)cn1 ZINC000163963600 521048555 /nfs/dbraw/zinc/04/85/55/521048555.db2.gz UQUPVJXTEVSFRC-JTQLQIEISA-N 1 0 286.217 3.082 10 0 CGAERO CCN(Cc1ccco1)[C@H](C)C[NH2+]C(C)(C)CC ZINC000053497617 521400960 /nfs/dbraw/zinc/40/09/60/521400960.db2.gz MAEYRTKRMKVPCQ-CYBMUJFWSA-N 1 0 252.402 3.268 10 0 CGAERO CCOc1cccc(O[C@H](C)C[NH2+]CC(C)C)c1 ZINC000052594035 521404319 /nfs/dbraw/zinc/40/43/19/521404319.db2.gz IIQXNVRKVKHKSX-CYBMUJFWSA-N 1 0 251.370 3.098 10 0 CGAERO CC[N@H+](Cc1ccncc1)Cc1ccc(Cl)cc1N ZINC000050443093 521423358 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CSc1ccc(C[NH2+][C@H](CN(C)C)C(C)C)cc1 ZINC000049197100 526007878 /nfs/dbraw/zinc/00/78/78/526007878.db2.gz WQOTUFNQBNWBNF-OAHLLOKOSA-N 1 0 266.454 3.084 10 0 CGAERO C[C@@H](c1cccc(Cl)c1)[NH+]1CCC(n2cncn2)CC1 ZINC000156651300 526070677 /nfs/dbraw/zinc/07/06/77/526070677.db2.gz JACOPBXJPHEWHJ-LBPRGKRZSA-N 1 0 290.798 3.330 10 0 CGAERO COc1cccc(C[C@@H]([NH3+])c2ccc(F)cc2C)c1 ZINC000055225354 526072378 /nfs/dbraw/zinc/07/23/78/526072378.db2.gz QNPVILVIHXCHMS-MRXNPFEDSA-N 1 0 259.324 3.385 10 0 CGAERO CSc1cccc(N2CC[C@H](C[NH2+]C(C)C)C2)c1 ZINC000053010595 526107724 /nfs/dbraw/zinc/10/77/24/526107724.db2.gz SPSKSAADJODIBV-CYBMUJFWSA-N 1 0 264.438 3.233 10 0 CGAERO O=C(CC[C@H]1CCCC[NH2+]1)Nc1ccc(Cl)cc1F ZINC000050944513 526565709 /nfs/dbraw/zinc/56/57/09/526565709.db2.gz DEYAKTYQYUXDGR-LLVKDONJSA-N 1 0 284.762 3.340 10 0 CGAERO c1csc(-c2nccn2CCC[C@H]2CCC[NH2+]2)c1 ZINC000052764921 526576344 /nfs/dbraw/zinc/57/63/44/526576344.db2.gz DKWSPVKTHYJVLW-GFCCVEGCSA-N 1 0 261.394 3.144 10 0 CGAERO Cc1nc(C2CCC(C)CC2)nc(C)c1[C@@H](C)C[NH3+] ZINC000054837298 526773560 /nfs/dbraw/zinc/77/35/60/526773560.db2.gz NNPHWEYWHYNKSD-CVZZAPKMSA-N 1 0 261.413 3.449 10 0 CGAERO Cc1nc(CC(C)C)nc(C)c1[C@@H](C)C[NH2+]C1CC1 ZINC000054855030 526798099 /nfs/dbraw/zinc/79/80/99/526798099.db2.gz RXMFJGDDVJWUQF-NSHDSACASA-N 1 0 261.413 3.147 10 0 CGAERO Cc1occc1CN(C)c1ccc(Cl)cc1C[NH3+] ZINC000052857082 526827695 /nfs/dbraw/zinc/82/76/95/526827695.db2.gz KGVXRLZBVHDQAJ-UHFFFAOYSA-N 1 0 264.756 3.337 10 0 CGAERO Cc1nc([C@H]([NH3+])c2ccc(F)cc2C)sc1C ZINC000050580362 527069921 /nfs/dbraw/zinc/06/99/21/527069921.db2.gz RHMDPRCKDKJJAK-GFCCVEGCSA-N 1 0 250.342 3.256 10 0 CGAERO Cc1[nH+]c2cc(N)ccc2n1Cc1cccc(F)c1 ZINC000052842281 527124221 /nfs/dbraw/zinc/12/42/21/527124221.db2.gz HCUHMFYYQGQCTQ-UHFFFAOYSA-N 1 0 255.296 3.114 10 0 CGAERO Cc1nc[nH]c1C[NH2+][C@H](C)Cc1ccccc1Cl ZINC000054794813 527214301 /nfs/dbraw/zinc/21/43/01/527214301.db2.gz AFBUHPNKCSZRQY-SNVBAGLBSA-N 1 0 263.772 3.092 10 0 CGAERO [NH3+]Cc1ccc(CO[C@@H]2CCCc3ccccc32)o1 ZINC000052627972 527252800 /nfs/dbraw/zinc/25/28/00/527252800.db2.gz QFNLQPLUOYNXRA-MRXNPFEDSA-N 1 0 257.333 3.333 10 0 CGAERO [NH3+]Cc1ccc(Oc2ncccc2F)c(Cl)c1 ZINC000054701201 527257504 /nfs/dbraw/zinc/25/75/04/527257504.db2.gz QEANUXSHFBQGSM-UHFFFAOYSA-N 1 0 252.676 3.125 10 0 CGAERO [NH3+][C@@H](Cc1ccc(Cl)cc1Cl)c1cncnc1 ZINC000052887023 527334947 /nfs/dbraw/zinc/33/49/47/527334947.db2.gz UPUQMZBEEIZFAW-LBPRGKRZSA-N 1 0 268.147 3.026 10 0 CGAERO [NH3+][C@@H]1CCCc2c1ccn2-c1cc(F)c(F)cc1F ZINC000061095047 527361618 /nfs/dbraw/zinc/36/16/18/527361618.db2.gz HAEKWGIXJWCMDR-GFCCVEGCSA-N 1 0 266.266 3.231 10 0 CGAERO [NH3+][C@@H]1COc2cc(OCc3ccc(Cl)s3)ccc21 ZINC000062803730 527375998 /nfs/dbraw/zinc/37/59/98/527375998.db2.gz LSCPGVHEEPWIBO-LLVKDONJSA-N 1 0 281.764 3.373 10 0 CGAERO [NH3+][C@H](c1cc(F)c(F)c(F)c1)c1ccc(F)cc1F ZINC000055239035 527391373 /nfs/dbraw/zinc/39/13/73/527391373.db2.gz IJZZYLYLLARJJH-CYBMUJFWSA-N 1 0 273.204 3.430 10 0 CGAERO [NH3+][C@H]1CCCC[C@H]1c1ccc(Br)cc1 ZINC000062625252 527397512 /nfs/dbraw/zinc/39/75/12/527397512.db2.gz GRKTUSLJZDCUBN-RYUDHWBXSA-N 1 0 254.171 3.434 10 0 CGAERO FC(F)(F)c1cccc(N2CC[C@H](C[NH2+]C3CC3)C2)c1 ZINC000053011552 527685672 /nfs/dbraw/zinc/68/56/72/527685672.db2.gz WMAJNSXFFOTQDW-LLVKDONJSA-N 1 0 284.325 3.284 10 0 CGAERO FC(F)(F)c1cccnc1OCC[C@H]1CCCC[NH2+]1 ZINC000051870986 527687494 /nfs/dbraw/zinc/68/74/94/527687494.db2.gz JXZVAILHGHLLRA-SNVBAGLBSA-N 1 0 274.286 3.011 10 0 CGAERO CCCCOC[C@H](O)C[N@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000193372545 528621264 /nfs/dbraw/zinc/62/12/64/528621264.db2.gz CLNOEPWFEHVKJF-DOTOQJQBSA-N 1 0 279.424 3.165 10 0 CGAERO CC[C@H]1CN(c2ccc3ccccc3c2)[C@H](C)C[NH2+]1 ZINC000083399820 536161367 /nfs/dbraw/zinc/16/13/67/536161367.db2.gz WURFNXUSFBRORJ-CJNGLKHVSA-N 1 0 254.377 3.417 10 0 CGAERO CC1(C)CSC[C@]2(C1)[NH2+]CCc1sccc12 ZINC000397223829 570290038 /nfs/dbraw/zinc/29/00/38/570290038.db2.gz HXDQRVNGJKLGIN-ZDUSSCGKSA-N 1 0 253.436 3.252 10 0 CGAERO CC1(C)CC([C@](O)(C[NH3+])C(F)(F)F)CC(C)(C)C1 ZINC000675052483 570321777 /nfs/dbraw/zinc/32/17/77/570321777.db2.gz FNAMGYHUKYWMIX-GFCCVEGCSA-N 1 0 267.335 3.091 10 0 CGAERO CC(C)(C)[C@H]1CC=C([C@@](O)(C[NH3+])C(F)(F)F)CC1 ZINC000675052522 570321822 /nfs/dbraw/zinc/32/18/22/570321822.db2.gz FZSBTPVSRMHHBC-CABZTGNLSA-N 1 0 265.319 3.011 10 0 CGAERO CC(C)(C)[C@H]1CC=C([C@](O)(C[NH3+])C(F)(F)F)CC1 ZINC000675052523 570321854 /nfs/dbraw/zinc/32/18/54/570321854.db2.gz FZSBTPVSRMHHBC-JOYOIKCWSA-N 1 0 265.319 3.011 10 0 CGAERO Cc1cc([C@H]2C[NH2+]C[C@H]2C(=O)OC(C)(C)C)ccc1Cl ZINC000757184703 617835577 /nfs/dbraw/zinc/83/55/77/617835577.db2.gz MPRQVIKINYTXCP-CHWSQXEVSA-N 1 0 295.810 3.293 10 0 CGAERO [NH3+]Cc1c[nH]c2c1cccc2OCc1ccccc1 ZINC000757126239 617751897 /nfs/dbraw/zinc/75/18/97/617751897.db2.gz DMWNQELSZFJJAR-UHFFFAOYSA-N 1 0 252.317 3.206 10 0 CGAERO CCCOc1ccc([C@@H]([NH3+])CF)cc1OCCC ZINC000757134659 617765054 /nfs/dbraw/zinc/76/50/54/617765054.db2.gz OJLSFWGVKKHAOU-LBPRGKRZSA-N 1 0 255.333 3.234 10 0 CGAERO CCC1(CC)O[C@]2(COC(C)(C)C2)[NH2+]CC1(C)C ZINC000757141962 617790494 /nfs/dbraw/zinc/79/04/94/617790494.db2.gz KESRACJLPDUOIZ-OAHLLOKOSA-N 1 0 255.402 3.086 10 0 CGAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CCC2CC2)C1 ZINC000090739997 618158148 /nfs/dbraw/zinc/15/81/48/618158148.db2.gz PIOSNXHNJLZJRQ-CQSZACIVSA-N 1 0 282.428 3.023 10 0 CGAERO COc1cccc(-c2ccc3c(c2)CC[C@H]3[NH3+])c1F ZINC000235008102 618516999 /nfs/dbraw/zinc/51/69/99/618516999.db2.gz LQWZGPQRYCYJNK-CQSZACIVSA-N 1 0 257.308 3.447 10 0 CGAERO C[C@H](c1nc([C@H]2CC23CC3)no1)[C@@H]([NH3+])c1ccccc1 ZINC000829329430 618703209 /nfs/dbraw/zinc/70/32/09/618703209.db2.gz HTBKMHLFDOXFBY-CYZMBNFOSA-N 1 0 269.348 3.141 10 0 CGAERO CCC[C@@H](C(=O)Nc1ccc(N(C)C)c(Cl)c1)[NH+](C)C ZINC000161682893 618708554 /nfs/dbraw/zinc/70/85/54/618708554.db2.gz GQVHEXQCBNZBPW-AWEZNQCLSA-N 1 0 297.830 3.075 10 0 CGAERO COC1CC([NH2+]Cc2cc(C)cc(Br)c2)C1 ZINC000309436521 618892145 /nfs/dbraw/zinc/89/21/45/618892145.db2.gz HKUPCPNJWLKPRA-UHFFFAOYSA-N 1 0 284.197 3.025 10 0 CGAERO CC[C@H]([NH2+][C@@H](C)[C@H](C)O)c1cccc(Br)c1 ZINC000309852435 619004888 /nfs/dbraw/zinc/00/48/88/619004888.db2.gz JKMUQBCHAGTDIM-KWBADKCTSA-N 1 0 286.213 3.259 10 0 CGAERO C[C@@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)OC(C)(C)C ZINC000309855120 619057183 /nfs/dbraw/zinc/05/71/83/619057183.db2.gz CVJDWGURFXJTKY-LBPRGKRZSA-N 1 0 272.433 3.268 10 0 CGAERO CCCC[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC000310003874 619066108 /nfs/dbraw/zinc/06/61/08/619066108.db2.gz SPUXJTLQGXEAAM-QWHCGFSZSA-N 1 0 272.433 3.410 10 0 CGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1(C)OCCCO1 ZINC000190645445 619101649 /nfs/dbraw/zinc/10/16/49/619101649.db2.gz BKVOOFLHAZMKEY-QLFBSQMISA-N 1 0 269.429 3.190 10 0 CGAERO CCCCCC(C)(C)CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000094988754 619267865 /nfs/dbraw/zinc/26/78/65/619267865.db2.gz LVIRJFMLWFUOGL-ZIAGYGMSSA-N 1 0 268.445 3.227 10 0 CGAERO CC[C@H]([NH2+]C[C@H](O)C(C)(C)C)c1ccc2c(c1)CCO2 ZINC000164040691 622811136 /nfs/dbraw/zinc/81/11/36/622811136.db2.gz QMKGAEXPNQGEKT-HOCLYGCPSA-N 1 0 277.408 3.069 10 0 CGAERO CCCCC[C@H](NC(=O)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000156960599 622851591 /nfs/dbraw/zinc/85/15/91/622851591.db2.gz PXHHEUJCLYPETB-IRXDYDNUSA-N 1 0 288.435 3.424 10 0 CGAERO CCCCCC[C@H](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000157617007 622915188 /nfs/dbraw/zinc/91/51/88/622915188.db2.gz KWMLNRRHQXUFTM-ZNMIVQPWSA-N 1 0 268.445 3.227 10 0 CGAERO CCC(CC)(CNC(=O)OC(C)(C)C)[NH2+]Cc1ccoc1 ZINC000225811730 622931546 /nfs/dbraw/zinc/93/15/46/622931546.db2.gz XKIDVJHTSOGERD-UHFFFAOYSA-N 1 0 296.411 3.453 10 0 CGAERO [NH3+][C@@H]1CC[C@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000227642603 623025947 /nfs/dbraw/zinc/02/59/47/623025947.db2.gz PENDHZUAOTURCR-IONNQARKSA-N 1 0 293.720 3.293 10 0 CGAERO CCC(=O)N1CC[C@@H](C2CC[NH+](CCC(C)C)CC2)C1 ZINC000169752286 623055223 /nfs/dbraw/zinc/05/52/23/623055223.db2.gz LQUWZDCBSVKIPT-MRXNPFEDSA-N 1 0 280.456 3.003 10 0 CGAERO CCC[N@@H+]1CCC[C@@H](c2ccc(OC)cc2F)C1 ZINC000757571918 630509766 /nfs/dbraw/zinc/50/97/66/630509766.db2.gz NKYYKTGADVCWSF-GFCCVEGCSA-N 1 0 251.345 3.424 10 0 CGAERO FCC1(CF)CC2(C1)[NH2+]C1(CCCCC1)CCO2 ZINC000757154215 630586625 /nfs/dbraw/zinc/58/66/25/630586625.db2.gz ZOUHKSQMIDSTNN-UHFFFAOYSA-N 1 0 259.340 3.115 10 0 CGAERO CCCCCC(C)(C)C[NH2+]Cc1c(C)nn(C)c1OC ZINC000122955377 633533119 /nfs/dbraw/zinc/53/31/19/633533119.db2.gz LNSZIKAITJVGCY-UHFFFAOYSA-N 1 0 281.444 3.433 10 0 CGAERO C[C@H](NC(=O)C[C@H]([NH3+])C1CC1)c1ccc(C(C)(C)C)cc1 ZINC000123647282 633779992 /nfs/dbraw/zinc/77/99/92/633779992.db2.gz MYBCWXQBYCVRNK-LRDDRELGSA-N 1 0 288.435 3.289 10 0 CGAERO Fc1ccc(-c2nc(C[C@@H]3CCC[NH2+]C3)no2)cc1Cl ZINC000212993098 636421267 /nfs/dbraw/zinc/42/12/67/636421267.db2.gz VVQZQPMIBGLFEP-VIFPVBQESA-N 1 0 295.745 3.071 10 0 CGAERO CC(C)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000300206440 637826940 /nfs/dbraw/zinc/82/69/40/637826940.db2.gz WPKDJZBNASNETA-MELADBBJSA-N 1 0 284.444 3.409 10 0 CGAERO C[C@H]([NH2+][C@H]1COc2ccccc21)C1CCSCC1 ZINC000187321230 638536586 /nfs/dbraw/zinc/53/65/86/638536586.db2.gz VDOLVACAKCVBSR-FZMZJTMJSA-N 1 0 263.406 3.241 10 0 CGAERO CCCCC[C@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)C(C)(C)C ZINC000115848644 638627152 /nfs/dbraw/zinc/62/71/52/638627152.db2.gz CODDHYWLWRPDDS-CABCVRRESA-N 1 0 297.487 3.327 10 0 CGAERO CCCCC[C@@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)C(C)(C)C ZINC000115848643 638627188 /nfs/dbraw/zinc/62/71/88/638627188.db2.gz CODDHYWLWRPDDS-LSDHHAIUSA-N 1 0 297.487 3.327 10 0 CGAERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC3(CCC3)C(=O)O2)cc1F ZINC000192161217 640353299 /nfs/dbraw/zinc/35/32/99/640353299.db2.gz PGMSKOYEPGIVEU-JSGCOSHPSA-N 1 0 291.366 3.271 10 0 CGAERO Cc1ccc(-c2noc([C@@H]3CCCC[C@H]3C[NH3+])n2)cc1 ZINC000089383351 640642260 /nfs/dbraw/zinc/64/22/60/640642260.db2.gz AFXHFDHBSNTWDP-UONOGXRCSA-N 1 0 271.364 3.278 10 0 CGAERO Cc1ccc(-c2noc([C@H]3CCCC[C@@H]3C[NH3+])n2)cc1F ZINC000089383410 640642517 /nfs/dbraw/zinc/64/25/17/640642517.db2.gz CYYNXBNTYMVGNS-OLZOCXBDSA-N 1 0 289.354 3.417 10 0 CGAERO Cc1ccc(F)cc1-c1noc([C@H]2CCCC[C@H]2C[NH3+])n1 ZINC000089383568 640643197 /nfs/dbraw/zinc/64/31/97/640643197.db2.gz NYOJWDZPAORTIV-AAEUAGOBSA-N 1 0 289.354 3.417 10 0 CGAERO [NH3+]C[C@H]1CCCC[C@H]1c1nc(-c2cc(F)cc(F)c2)no1 ZINC000089383521 640643561 /nfs/dbraw/zinc/64/35/61/640643561.db2.gz ZXGCPFOXDHARGY-NOZJJQNGSA-N 1 0 293.317 3.247 10 0 CGAERO Cc1cc(C)cc(Cc2noc([C@@H]3CCC[C@H]3C[NH3+])n2)c1 ZINC000089431182 640645607 /nfs/dbraw/zinc/64/56/07/640645607.db2.gz RJSKVQUZXOSHNK-LSDHHAIUSA-N 1 0 285.391 3.120 10 0 CGAERO [NH3+]C[C@@H]1CCC[C@@H]1c1nc(Cc2cccc(Cl)c2)no1 ZINC000089430786 640645711 /nfs/dbraw/zinc/64/57/11/640645711.db2.gz ZSYZPBZMSVOENU-AAEUAGOBSA-N 1 0 291.782 3.156 10 0 CGAERO CC(=O)[C@H]1CCC[N@H+](Cc2cc(C)nc3ccccc23)C1 ZINC000092347867 640734860 /nfs/dbraw/zinc/73/48/60/640734860.db2.gz KHRHNPWRWDFJKU-HNNXBMFYSA-N 1 0 282.387 3.344 10 0 CGAERO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@H]1Cc2ccccc2[C@H]1O ZINC000248000030 640738902 /nfs/dbraw/zinc/73/89/02/640738902.db2.gz KIMNVNXGBXZBPF-NCZBFZFDSA-N 1 0 259.393 3.059 10 0 CGAERO Cc1ccccc1[C@H](C)NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000094752679 640801078 /nfs/dbraw/zinc/80/10/78/640801078.db2.gz ZJVYQFFJCOIQIZ-IMJJTQAJSA-N 1 0 274.408 3.080 10 0 CGAERO O[C@@H]1CCCC[C@H]1[C@H]1CCC[N@@H+]1Cc1cncc(Cl)c1 ZINC000621289736 349490020 /nfs/dbraw/zinc/49/00/20/349490020.db2.gz OYXBSPHMWVBWGL-ARFHVFGLSA-N 1 0 294.826 3.251 10 0 CGAERO COCc1nc(-c2ccco2)sc1C[NH2+]C(C)C ZINC000082446568 178023886 /nfs/dbraw/zinc/02/38/86/178023886.db2.gz FUPXIGKSJFYMPA-UHFFFAOYSA-N 1 0 266.366 3.048 10 0 CGAERO O=C(Nc1ccc2c(c1)C[NH2+]CC2)OCc1ccccc1 ZINC000095936050 185034154 /nfs/dbraw/zinc/03/41/54/185034154.db2.gz CRLMBAZGFITOGU-UHFFFAOYSA-N 1 0 282.343 3.081 10 0 CGAERO CC[NH2+]Cc1cnn(-c2ccccc2C)c1C(F)(F)F ZINC000082661562 178149050 /nfs/dbraw/zinc/14/90/50/178149050.db2.gz APVHSGYFPFBYGP-UHFFFAOYSA-N 1 0 283.297 3.309 10 0 CGAERO C[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000082662022 178150298 /nfs/dbraw/zinc/15/02/98/178150298.db2.gz JDKNKXBPOFQGBV-UHFFFAOYSA-N 1 0 289.688 3.264 10 0 CGAERO CN(C)c1ccc(-c2cnc(C[NH2+]C3CC3)s2)cc1 ZINC000083240295 178366564 /nfs/dbraw/zinc/36/65/64/178366564.db2.gz ZJEGCJMWNBYXSV-UHFFFAOYSA-N 1 0 273.405 3.128 10 0 CGAERO C[C@@H](c1ccc(Br)cc1)[C@H]1CC[NH2+]C1 ZINC000096883931 185119421 /nfs/dbraw/zinc/11/94/21/185119421.db2.gz LWVKLBJQYAPNMN-ONGXEEELSA-N 1 0 254.171 3.162 10 0 CGAERO Cc1ccccc1[C@H]1[C@H]([NH3+])CCN1C(=O)OC(C)(C)C ZINC000096981174 185145340 /nfs/dbraw/zinc/14/53/40/185145340.db2.gz GNTSHPVIHRBXTC-KGLIPLIRSA-N 1 0 276.380 3.004 10 0 CGAERO CCC(CC)[C@@H](NC(=O)[C@@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000164092652 282239571 /nfs/dbraw/zinc/23/95/71/282239571.db2.gz GAOUTCWKPZTZNL-SUMWQHHRSA-N 1 0 288.435 3.136 10 0 CGAERO CC[C@@H]1C[NH2+][C@H](C)CN1Cc1cc(Cl)ccc1F ZINC000083518125 178552527 /nfs/dbraw/zinc/55/25/27/178552527.db2.gz XTIMHHORQYEFPL-ZWNOBZJWSA-N 1 0 270.779 3.051 10 0 CGAERO CC(C)OC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295065621 199325976 /nfs/dbraw/zinc/32/59/76/199325976.db2.gz CDXUGVXTZABBNT-GOEBONIOSA-N 1 0 290.407 3.032 10 0 CGAERO C[NH2+]CCc1ccc(OC)c(OCc2ccccc2)c1 ZINC000004072667 529979215 /nfs/dbraw/zinc/97/92/15/529979215.db2.gz RDKCBJKWTCOZMO-UHFFFAOYSA-N 1 0 271.360 3.036 10 0 CGAERO Cc1ccc(C(O)(c2ccc(C)cc2)[C@H](C)C[NH3+])cc1 ZINC000003634810 344858758 /nfs/dbraw/zinc/85/87/58/344858758.db2.gz IDJRHRZFEWCOGC-OAHLLOKOSA-N 1 0 269.388 3.134 10 0 CGAERO CCO[C@H](c1c(Cl)cccc1Cl)C1=[NH+]CCCN1 ZINC000005861309 344863056 /nfs/dbraw/zinc/86/30/56/344863056.db2.gz YNBCYQOZRYKLMD-GFCCVEGCSA-N 1 0 287.190 3.463 10 0 CGAERO CCO[C@@H](c1cccc(Cl)c1)C1=[NH+]CC(C)(C)CN1 ZINC000005860865 344863066 /nfs/dbraw/zinc/86/30/66/344863066.db2.gz BJZGGPBBOQDMIC-ZDUSSCGKSA-N 1 0 280.799 3.446 10 0 CGAERO O[C@H](c1ccccc1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000013805358 344880493 /nfs/dbraw/zinc/88/04/93/344880493.db2.gz QISANSXOEYOYNO-LJQANCHMSA-N 1 0 297.398 3.243 10 0 CGAERO [NH3+][C@@H]1CCCOc2c(Br)cc(Cl)cc21 ZINC000036928681 344945855 /nfs/dbraw/zinc/94/58/55/344945855.db2.gz OGPYCGHNPUQYDW-SECBINFHSA-N 1 0 276.561 3.275 10 0 CGAERO CC(C)[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000037186242 344948039 /nfs/dbraw/zinc/94/80/39/344948039.db2.gz OOXNIOOGSPNJPI-VIFPVBQESA-N 1 0 289.160 3.350 10 0 CGAERO CC(C)(C)C1CCC([NH2+][C@H]2CCC[C@H](O)C2)CC1 ZINC000037164689 344948303 /nfs/dbraw/zinc/94/83/03/344948303.db2.gz DTXRDYJIWNWUAP-WUCCLRPBSA-N 1 0 253.430 3.484 10 0 CGAERO [NH2+]=C1CCCN1Cc1ccc(Br)cc1 ZINC000042240154 344981084 /nfs/dbraw/zinc/98/10/84/344981084.db2.gz BWBZTIHHQCPWPK-UHFFFAOYSA-N 1 0 253.143 3.022 10 0 CGAERO CS[C@@H](c1cccc(Br)c1)[C@H](C)[NH3+] ZINC000043025149 344992969 /nfs/dbraw/zinc/99/29/69/344992969.db2.gz VQHNAGAPZVBXLJ-OIBJUYFYSA-N 1 0 260.200 3.200 10 0 CGAERO CC(C)[C@@](C)([NH3+])Cc1ccc(Br)s1 ZINC000053758508 345124901 /nfs/dbraw/zinc/12/49/01/345124901.db2.gz TZTFFIJFXZXBAK-JTQLQIEISA-N 1 0 262.216 3.427 10 0 CGAERO CC(C)(C)c1ccccc1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054306637 345132103 /nfs/dbraw/zinc/13/21/03/345132103.db2.gz NXJFJAPNAUCNGK-CYBMUJFWSA-N 1 0 274.408 3.312 10 0 CGAERO CC(C)COc1cccc(NC(=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000054307581 345132400 /nfs/dbraw/zinc/13/24/00/345132400.db2.gz WNSWJINGSCPDGN-AWEZNQCLSA-N 1 0 290.407 3.050 10 0 CGAERO CC[C@@H](NC(=O)C[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000054306786 345132519 /nfs/dbraw/zinc/13/25/19/345132519.db2.gz OBIVXXGFFTZDRM-IUODEOHRSA-N 1 0 294.826 3.297 10 0 CGAERO CC(C)C[C@@H]([NH3+])[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000054929554 345140492 /nfs/dbraw/zinc/14/04/92/345140492.db2.gz RRXHMSCZFXCZLC-NEPJUHHUSA-N 1 0 262.180 3.400 10 0 CGAERO COc1ccc2cc([C@@H](O)[C@H]([NH3+])CC(C)C)ccc2c1 ZINC000054929500 345140570 /nfs/dbraw/zinc/14/05/70/345140570.db2.gz JUMJVBYSWPCWAW-IAGOWNOFSA-N 1 0 273.376 3.255 10 0 CGAERO Cc1c2cc(Br)cc(C)c2oc1C[NH3+] ZINC000063061866 345243492 /nfs/dbraw/zinc/24/34/92/345243492.db2.gz LOZFDRLPDFWWKN-UHFFFAOYSA-N 1 0 254.127 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CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H](O)C1)c1ccccc1 ZINC000232721382 542306836 /nfs/dbraw/zinc/30/68/36/542306836.db2.gz NTKQCNZBDCURSK-ZACQAIPSSA-N 1 0 261.409 3.319 10 0 CGAERO O[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000246031169 542325003 /nfs/dbraw/zinc/32/50/03/542325003.db2.gz LVVUXZYSSWUEDB-KBRIMQKVSA-N 1 0 277.383 3.344 10 0 CGAERO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1C)c1cccs1 ZINC000249312050 542339568 /nfs/dbraw/zinc/33/95/68/542339568.db2.gz MCULWBDOCBXBDJ-YIYPIFLZSA-N 1 0 294.464 3.482 10 0 CGAERO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1cccc(F)c1 ZINC000251637370 542347745 /nfs/dbraw/zinc/34/77/45/542347745.db2.gz FTWHGMIYPPZPEF-IRXDYDNUSA-N 1 0 276.399 3.274 10 0 CGAERO C[C@H]([NH2+]C[C@H]1CCC[C@H]1O)c1cc2ccccc2o1 ZINC000252678155 542350831 /nfs/dbraw/zinc/35/08/31/542350831.db2.gz DBXJJGZTAKDQOT-IACUBPJLSA-N 1 0 259.349 3.244 10 0 CGAERO OCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000250121743 285264386 /nfs/dbraw/zinc/26/43/86/285264386.db2.gz VKOBGHVFLRYSAM-APHBMKBZSA-N 1 0 293.382 3.180 10 0 CGAERO Clc1ccccc1C[C@H]1COCC[C@H]1[NH2+]C1CC1 ZINC000095073931 184934088 /nfs/dbraw/zinc/93/40/88/184934088.db2.gz WFAJWMWEAZFCMD-SWLSCSKDSA-N 1 0 265.784 3.040 10 0 CGAERO O[C@H]1CCC[C@H]1C[NH2+]C1CCC2(CCCC2)CC1 ZINC000129425550 285365697 /nfs/dbraw/zinc/36/56/97/285365697.db2.gz ASOMDQNDKYKYCA-ZFWWWQNUSA-N 1 0 251.414 3.240 10 0 CGAERO CC(C)C[N@H+](C[C@H]1CCC[C@H](O)C1)C1CCCC1 ZINC000381050241 542595732 /nfs/dbraw/zinc/59/57/32/542595732.db2.gz YPFPCUSNERZSSD-HOCLYGCPSA-N 1 0 253.430 3.438 10 0 CGAERO C[N@H+](C[C@H]1CCC[C@@H](O)C1)C1CCC(C)(C)CC1 ZINC000380967761 542595808 /nfs/dbraw/zinc/59/58/08/542595808.db2.gz VMTJMZSZFUXAHI-DZGCQCFKSA-N 1 0 253.430 3.438 10 0 CGAERO OC[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1c1ccsc1 ZINC000190293119 130085737 /nfs/dbraw/zinc/08/57/37/130085737.db2.gz UZWJPYQZPGEMLU-KBPBESRZSA-N 1 0 279.430 3.018 10 0 CGAERO C[C@@H]1C[N@H+](C[C@@H]2CCC[C@H](O)C2)CCc2ccccc21 ZINC000404721425 542624772 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ZINC000307009422 392645814 /nfs/dbraw/zinc/64/58/14/392645814.db2.gz IBDMQMUMADVUAG-SECBINFHSA-N 1 0 274.227 3.443 10 0 CGAERO CCc1ccc(C[NH2+][C@H]2CCCc3n[nH]cc32)cc1 ZINC000375897628 392838718 /nfs/dbraw/zinc/83/87/18/392838718.db2.gz JVBSAKQQUOXSSL-HNNXBMFYSA-N 1 0 255.365 3.139 10 0 CGAERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)[C@H]1CC2CCC1CC2 ZINC000381563057 392912111 /nfs/dbraw/zinc/91/21/11/392912111.db2.gz WSWHKCVUQVZMIS-XKXGBVFJSA-N 1 0 265.441 3.342 10 0 CGAERO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000381900875 392915058 /nfs/dbraw/zinc/91/50/58/392915058.db2.gz RHVRKHCWAWVPIV-QJPTWQEYSA-N 1 0 279.346 3.200 10 0 CGAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000384225493 392925115 /nfs/dbraw/zinc/92/51/15/392925115.db2.gz FZQZTCWWTMQTKL-QPUJVOFHSA-N 1 0 287.190 3.320 10 0 CGAERO C[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1Br ZINC000400339578 392948006 /nfs/dbraw/zinc/94/80/06/392948006.db2.gz IIYCJFDMJZELAK-MJVIPROJSA-N 1 0 297.240 3.240 10 0 CGAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(C)(C)Oc3ccccc32)CO1 ZINC000402369845 392955561 /nfs/dbraw/zinc/95/55/61/392955561.db2.gz XXOALCFDVPYRFM-YRGRVCCFSA-N 1 0 261.365 3.056 10 0 CGAERO C[C@@H]1CC(C[NH2+]C/C=C/c2ccccc2)C[C@H](C)O1 ZINC000466426451 393030759 /nfs/dbraw/zinc/03/07/59/393030759.db2.gz UQUPLVJYYUCHFN-IUGNXXBASA-N 1 0 259.393 3.493 10 0 CGAERO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000248405091 393086522 /nfs/dbraw/zinc/08/65/22/393086522.db2.gz QZXFYMSWPQMXAV-SYQHCUMBSA-N 1 0 276.428 3.090 10 0 CGAERO Cc1cccc(C)c1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246432426 393057970 /nfs/dbraw/zinc/05/79/70/393057970.db2.gz NIGCYWLGRRQMEE-CABCVRRESA-N 1 0 289.423 3.154 10 0 CGAERO CCSCC[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000355744202 393337742 /nfs/dbraw/zinc/33/77/42/393337742.db2.gz YIJJPDSGWSGJKU-QGZVFWFLSA-N 1 0 292.492 3.384 10 0 CGAERO Fc1cc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc(F)c1F ZINC000647251870 393413419 /nfs/dbraw/zinc/41/34/19/393413419.db2.gz NIEAOACJCRMJKL-OPQQBVKSSA-N 1 0 255.283 3.382 10 0 CGAERO [NH3+]C1CCN(c2ccc(-c3ccccc3)cc2)CC1 ZINC000039928015 134856475 /nfs/dbraw/zinc/85/64/75/134856475.db2.gz AUKMYJSEYCIJBP-UHFFFAOYSA-N 1 0 252.361 3.281 10 0 CGAERO CC[C@@H]1CN(c2ccc(F)cc2C)[C@H](CC)C[NH2+]1 ZINC000083383605 135017681 /nfs/dbraw/zinc/01/76/81/135017681.db2.gz CWYIMMQEVOEZCN-ZIAGYGMSSA-N 1 0 250.361 3.101 10 0 CGAERO CSc1cccc(N2C[C@H](C)[NH2+]C[C@H]2C(C)C)c1 ZINC000083480045 135024244 /nfs/dbraw/zinc/02/42/44/135024244.db2.gz ZDOZXGROJFHQBZ-WFASDCNBSA-N 1 0 264.438 3.231 10 0 CGAERO CSc1ccccc1N1C[C@@H](C)[NH2+]C[C@H]1C(C)C ZINC000083480046 135024258 /nfs/dbraw/zinc/02/42/58/135024258.db2.gz INKYTTBEADWAFA-OCCSQVGLSA-N 1 0 264.438 3.231 10 0 CGAERO CSc1ccc(N2C[C@@H](C)[NH2+]C[C@H]2C(C)C)cc1 ZINC000083480042 135024309 /nfs/dbraw/zinc/02/43/09/135024309.db2.gz YKUQTYLSMCBTBI-DOMZBBRYSA-N 1 0 264.438 3.231 10 0 CGAERO Cc1cc(Cl)ccc1N1C[C@@H](C(C)C)[NH2+]C[C@@H]1C ZINC000083493716 135024760 /nfs/dbraw/zinc/02/47/60/135024760.db2.gz DHEMHONCXKQNDX-JSGCOSHPSA-N 1 0 266.816 3.471 10 0 CGAERO CC[C@H]1CN(c2cc(Cl)ccc2F)[C@@H](CC)C[NH2+]1 ZINC000083518195 135026738 /nfs/dbraw/zinc/02/67/38/135026738.db2.gz UTDWDLOLUBQBLT-RYUDHWBXSA-N 1 0 270.779 3.446 10 0 CGAERO [NH3+]C1CCC(C(=O)N(CC2CCCCC2)C2CC2)CC1 ZINC000037817859 397609140 /nfs/dbraw/zinc/60/91/40/397609140.db2.gz HIGXRDIQGUGDBQ-UHFFFAOYSA-N 1 0 278.440 3.075 10 0 CGAERO Brc1cccc(C[NH2+]CC[C@@H]2CCCO2)c1 ZINC000037988600 397609885 /nfs/dbraw/zinc/60/98/85/397609885.db2.gz HGAXVUQFYAIEGW-ZDUSSCGKSA-N 1 0 284.197 3.108 10 0 CGAERO Brc1ccsc1[C@@H]1[NH2+]C[C@H]1C1CC1 ZINC000307478931 397680774 /nfs/dbraw/zinc/68/07/74/397680774.db2.gz WMPXIKFHILKLNN-IONNQARKSA-N 1 0 258.184 3.181 10 0 CGAERO O[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@@H](c3ccccc3)C2)C1 ZINC000389113747 397691228 /nfs/dbraw/zinc/69/12/28/397691228.db2.gz QEBXBRMKMVERBP-DJIMGWMZSA-N 1 0 259.393 3.027 10 0 CGAERO FC1(F)CCCC[C@@H]1CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000394658121 397695502 /nfs/dbraw/zinc/69/55/02/397695502.db2.gz NCDLMUIGSZHMDB-RBSFLKMASA-N 1 0 286.410 3.418 10 0 CGAERO FC1(F)CCCC[C@@H]1CN1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000394658109 397695612 /nfs/dbraw/zinc/69/56/12/397695612.db2.gz NCDLMUIGSZHMDB-KFWWJZLASA-N 1 0 286.410 3.418 10 0 CGAERO Cc1cc(Cl)cc(C[NH2+]C[C@H](O)C(C)(C)C)c1 ZINC000395187523 397696822 /nfs/dbraw/zinc/69/68/22/397696822.db2.gz WFVZNCTWYFWVNT-ZDUSSCGKSA-N 1 0 255.789 3.145 10 0 CGAERO C[C@@H]1CCC[N@H+](CCOc2cncc(Cl)c2)[C@H]1C ZINC000675075907 543313609 /nfs/dbraw/zinc/31/36/09/543313609.db2.gz GPVYOOSHCMUUMY-NEPJUHHUSA-N 1 0 268.788 3.234 10 0 CGAERO CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)C(C)C)C12CCOCC2 ZINC000188708860 286278602 /nfs/dbraw/zinc/27/86/02/286278602.db2.gz RXOYLRHYYYKRTJ-HUUCEWRRSA-N 1 0 283.456 3.232 10 0 CGAERO CC(C)c1ccc([C@H](C)[NH2+]CC(=O)N(C)C2CC2)cc1 ZINC000066411312 286970274 /nfs/dbraw/zinc/97/02/74/286970274.db2.gz CLFLPIIDMKGOKV-ZDUSSCGKSA-N 1 0 274.408 3.081 10 0 CGAERO Cc1cc(OCCN2C[C@@H](C)[NH2+][C@H](C)C2)ccc1C(C)C ZINC000070077216 286985464 /nfs/dbraw/zinc/98/54/64/286985464.db2.gz JPKBDODPAOXWCD-HZPDHXFCSA-N 1 0 290.451 3.179 10 0 CGAERO CC[C@@H]1CC[C@H]([NH2+]CC2(N(C)C)CCCCC2)C1 ZINC000080427175 287065264 /nfs/dbraw/zinc/06/52/64/287065264.db2.gz LFZDNFOLFDSLPC-CABCVRRESA-N 1 0 252.446 3.419 10 0 CGAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000085356267 287081884 /nfs/dbraw/zinc/08/18/84/287081884.db2.gz KBUOAJFPTMNLLV-KWQFWETISA-N 1 0 273.163 3.059 10 0 CGAERO CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000073716788 165081091 /nfs/dbraw/zinc/08/10/91/165081091.db2.gz DGKIQSGYZZJJAT-QWRGUYRKSA-N 1 0 298.377 3.309 10 0 CGAERO CC(C)COC1CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000075827397 165106190 /nfs/dbraw/zinc/10/61/90/165106190.db2.gz FKGQVVYWIFSXOK-GOSISDBHSA-N 1 0 291.435 3.031 10 0 CGAERO CC(C)[C@H](C)[NH2+][C@H](C)c1nnc(-c2ccccc2)o1 ZINC000078595399 165135367 /nfs/dbraw/zinc/13/53/67/165135367.db2.gz IFZUAGVIGBVSIK-NWDGAFQWSA-N 1 0 259.353 3.432 10 0 CGAERO O[C@@H]1CCC[C@@H]1C[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000089163223 165199008 /nfs/dbraw/zinc/19/90/08/165199008.db2.gz NBGILFLQEJZGSA-FKFRUQKQSA-N 1 0 279.811 3.337 10 0 CGAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000091376719 165261266 /nfs/dbraw/zinc/26/12/66/165261266.db2.gz LEABRXHHIWUJIG-OUCADQQQSA-N 1 0 257.381 3.413 10 0 CGAERO CSc1ccc(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000092232187 165288390 /nfs/dbraw/zinc/28/83/90/165288390.db2.gz LOIHWTCBTDYZKA-UHFFFAOYSA-N 1 0 298.411 3.307 10 0 CGAERO C[C@H]([NH2+]CC1CC(O)C1)c1ccc(C(F)(F)F)cc1 ZINC000091415966 287107980 /nfs/dbraw/zinc/10/79/80/287107980.db2.gz HIOVUAPGKDOBHL-JBLZRFIASA-N 1 0 273.298 3.127 10 0 CGAERO C[C@@H]1C[C@H]1c1ccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)o1 ZINC000092616132 165305478 /nfs/dbraw/zinc/30/54/78/165305478.db2.gz HZJCEZAPDMURKC-IIAWOOMASA-N 1 0 274.408 3.073 10 0 CGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1cnn(C)c1)[C@H](C)C2 ZINC000248410412 165767250 /nfs/dbraw/zinc/76/72/50/165767250.db2.gz GYZCDTXASMDOGP-PBFPGSCMSA-N 1 0 269.392 3.313 10 0 CGAERO COc1ccc([C@H](C)[NH2+][C@H]2CCCCC[C@H]2O)cc1F ZINC000252885564 165807390 /nfs/dbraw/zinc/80/73/90/165807390.db2.gz YCCKWFKLDOLGRU-TUKIKUTGSA-N 1 0 281.371 3.179 10 0 CGAERO CC[N@H+](Cc1ccc(Cl)s1)C[C@@](C)(O)CC ZINC000123284768 287218077 /nfs/dbraw/zinc/21/80/77/287218077.db2.gz ZTUQWRPIFWJWAF-LBPRGKRZSA-N 1 0 261.818 3.384 10 0 CGAERO COc1ccc([C@H]2CC[C@@H]3CCCC[N@@H+]3C2)cc1OC ZINC000006018673 170168659 /nfs/dbraw/zinc/16/86/59/170168659.db2.gz WWZYSFVVLXIGSX-GJZGRUSLSA-N 1 0 275.392 3.436 10 0 CGAERO COc1ccc(CC[NH3+])c(OCc2cccc(Cl)c2)c1 ZINC000011947958 170460607 /nfs/dbraw/zinc/46/06/07/170460607.db2.gz HBPOTITXRFXTQC-UHFFFAOYSA-N 1 0 291.778 3.429 10 0 CGAERO COc1ccc(CC[NH3+])c(OCc2ccccc2Cl)c1 ZINC000011957175 170461872 /nfs/dbraw/zinc/46/18/72/170461872.db2.gz LVCRLUXEUWNHDR-UHFFFAOYSA-N 1 0 291.778 3.429 10 0 CGAERO Cc1cc(Cl)ccc1NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000011961915 170463386 /nfs/dbraw/zinc/46/33/86/170463386.db2.gz UECHJWSLRNGFPR-AWEZNQCLSA-N 1 0 288.778 3.157 10 0 CGAERO CCCSc1cc(OC)c(C[C@@H](C)[NH3+])cc1OC ZINC000013641733 170572219 /nfs/dbraw/zinc/57/22/19/170572219.db2.gz XHWDHFUBCVWXDZ-SNVBAGLBSA-N 1 0 269.410 3.096 10 0 CGAERO C[C@H]([NH3+])c1cccc(NC(=O)CCOc2ccccc2)c1 ZINC000019267805 170765455 /nfs/dbraw/zinc/76/54/55/170765455.db2.gz ZOPJTRBRBGSTIF-ZDUSSCGKSA-N 1 0 284.359 3.114 10 0 CGAERO CC(C)OCCOC[C@@H]([NH3+])c1cccc2ccccc21 ZINC000019277826 170770071 /nfs/dbraw/zinc/77/00/71/170770071.db2.gz NWMQAHHDNUURBT-QGZVFWFLSA-N 1 0 273.376 3.281 10 0 CGAERO COc1ccc([C@H]([NH3+])c2ccc(Cl)cc2)cc1OC ZINC000019415707 170791614 /nfs/dbraw/zinc/79/16/14/170791614.db2.gz QRPMOKUXQYETAF-OAHLLOKOSA-N 1 0 277.751 3.405 10 0 CGAERO [NH3+]CCc1cn(Cc2ccccc2F)c2ccccc12 ZINC000019787544 170866117 /nfs/dbraw/zinc/86/61/17/170866117.db2.gz PBOJKTVCBBVMIS-UHFFFAOYSA-N 1 0 268.335 3.330 10 0 CGAERO Cc1ccccc1[C@@H](C)[NH2+][C@H]1COc2cc(O)ccc21 ZINC000020126280 171010678 /nfs/dbraw/zinc/01/06/78/171010678.db2.gz VGDWUVJIXOIPSY-WBMJQRKESA-N 1 0 269.344 3.485 10 0 CGAERO C[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1cccnc1 ZINC000020127885 171014073 /nfs/dbraw/zinc/01/40/73/171014073.db2.gz GVYZGMFLQBFIEN-IUODEOHRSA-N 1 0 254.333 3.256 10 0 CGAERO CC(C)[C@@H](CNCc1ccc([C@H]2C[C@@H]2C)o1)[NH+](C)C ZINC000020145563 171031064 /nfs/dbraw/zinc/03/10/64/171031064.db2.gz MBUVMFHIUBQTRX-AEGPPILISA-N 1 0 264.413 3.079 10 0 CGAERO CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1)N(C)C ZINC000020145648 171031258 /nfs/dbraw/zinc/03/12/58/171031258.db2.gz VORHBVSLSGECOG-WFASDCNBSA-N 1 0 252.377 3.063 10 0 CGAERO C[C@@H]([NH2+][C@@H]1COc2cc(O)ccc21)c1cccc(F)c1 ZINC000020147978 171035003 /nfs/dbraw/zinc/03/50/03/171035003.db2.gz PVRKABJUBCSMNA-MEBBXXQBSA-N 1 0 273.307 3.316 10 0 CGAERO C=COCCC[NH2+]Cc1cccc(Br)c1 ZINC000020197028 171061107 /nfs/dbraw/zinc/06/11/07/171061107.db2.gz UZKGHNHVOOYRMN-UHFFFAOYSA-N 1 0 270.170 3.089 10 0 CGAERO Cc1cccc(CN(C)[C@@H](C[NH3+])c2ccccc2)c1 ZINC000020225370 171088751 /nfs/dbraw/zinc/08/87/51/171088751.db2.gz CVAVLIQHOFKRCI-KRWDZBQOSA-N 1 0 254.377 3.127 10 0 CGAERO Cc1cccc([C@H](CN)[N@H+](C)CCc2ccccc2)c1 ZINC000020225524 171089026 /nfs/dbraw/zinc/08/90/26/171089026.db2.gz UUFSLRPAVHQCRZ-SFHVURJKSA-N 1 0 268.404 3.169 10 0 CGAERO COc1ccccc1[C@@H](C[NH3+])N(C)CC1CCCCC1 ZINC000020225784 171090140 /nfs/dbraw/zinc/09/01/40/171090140.db2.gz ANIKGQIDZXMOJX-MRXNPFEDSA-N 1 0 276.424 3.207 10 0 CGAERO CN(CC1CC1)[C@H](C[NH3+])c1cccc(Cl)c1Cl ZINC000020226733 171090898 /nfs/dbraw/zinc/09/08/98/171090898.db2.gz SSGRGRCLHZGFJI-GFCCVEGCSA-N 1 0 273.207 3.335 10 0 CGAERO Cc1cccc(N(CCC[NH3+])Cc2cccs2)c1 ZINC000020237002 171096210 /nfs/dbraw/zinc/09/62/10/171096210.db2.gz RDFRPSSJWRSWHN-UHFFFAOYSA-N 1 0 260.406 3.412 10 0 CGAERO NC(=[NH2+])c1cccc(COc2cccc3cccnc32)c1 ZINC000020297102 171137604 /nfs/dbraw/zinc/13/76/04/171137604.db2.gz YKDBLTUIHVUXCE-UHFFFAOYSA-N 1 0 277.327 3.098 10 0 CGAERO C[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000020306352 171142628 /nfs/dbraw/zinc/14/26/28/171142628.db2.gz YAZBDMAHNZVPPV-JQHSSLGASA-N 1 0 272.436 3.429 10 0 CGAERO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000020366118 171164503 /nfs/dbraw/zinc/16/45/03/171164503.db2.gz XUAWFBCZMSOWOY-QVHKTLOISA-N 1 0 268.445 3.094 10 0 CGAERO [NH3+]CCSCCOc1cc(Cl)cc(Cl)c1 ZINC000020399435 171181394 /nfs/dbraw/zinc/18/13/94/171181394.db2.gz WKAQQPWBZLORCC-UHFFFAOYSA-N 1 0 266.193 3.064 10 0 CGAERO Cc1cc([C@@H](C)NC[C@H](C(C)C)[NH+](C)C)c(C)o1 ZINC000020439186 171203260 /nfs/dbraw/zinc/20/32/60/171203260.db2.gz BRSBHBKXVRWRKE-IUODEOHRSA-N 1 0 252.402 3.133 10 0 CGAERO Clc1ccc(N[C@H]2C[NH+]3CCC2CC3)cc1Cl ZINC000020440764 171203796 /nfs/dbraw/zinc/20/37/96/171203796.db2.gz MPFJGQPGCXHOSX-ZDUSSCGKSA-N 1 0 271.191 3.500 10 0 CGAERO c1ccc2c(c1)cccc2N[C@@H]1C[NH+]2CCC1CC2 ZINC000020440311 171203966 /nfs/dbraw/zinc/20/39/66/171203966.db2.gz BKTRXCFTANZUKE-QGZVFWFLSA-N 1 0 252.361 3.346 10 0 CGAERO [NH3+]Cc1cc2ccccc2nc1Oc1ccccc1 ZINC000020470276 171212686 /nfs/dbraw/zinc/21/26/86/171212686.db2.gz ICGSWRRSYHCBRK-UHFFFAOYSA-N 1 0 250.301 3.486 10 0 CGAERO CC[N@H+](Cc1ccccc1)Cc1ccc(C(N)=S)cc1 ZINC000020486440 171225154 /nfs/dbraw/zinc/22/51/54/171225154.db2.gz YJAGMKKYFBOPCS-UHFFFAOYSA-N 1 0 284.428 3.343 10 0 CGAERO CC(C)CCCOCc1ccc(C(N)=[NH2+])cc1F ZINC000020516765 171232745 /nfs/dbraw/zinc/23/27/45/171232745.db2.gz KODJVHKDPWHTGR-UHFFFAOYSA-N 1 0 252.333 3.063 10 0 CGAERO CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCO2)cc1F ZINC000020549947 171246849 /nfs/dbraw/zinc/24/68/49/171246849.db2.gz SQDKDEQGMCLEFJ-OCCSQVGLSA-N 1 0 281.371 3.443 10 0 CGAERO CCc1ccc([C@@H]([NH3+])CN(C)c2ccccc2)cc1 ZINC000020553053 171248319 /nfs/dbraw/zinc/24/83/19/171248319.db2.gz FWZYQIXNVNUAAA-KRWDZBQOSA-N 1 0 254.377 3.385 10 0 CGAERO CC(C)[NH2+]CCCOc1ccc(C(F)(F)F)cc1 ZINC000020595724 171264243 /nfs/dbraw/zinc/26/42/43/171264243.db2.gz QMOKWXHYIHCXFI-UHFFFAOYSA-N 1 0 261.287 3.472 10 0 CGAERO CCCOc1ccccc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000020924469 171279810 /nfs/dbraw/zinc/27/98/10/171279810.db2.gz LFZPVORSMTVGBE-UHFFFAOYSA-N 1 0 299.370 3.494 10 0 CGAERO CCN(c1ccccc1C)[C@@H]1COc2ccccc2[C@@H]1[NH3+] ZINC000021020222 171290515 /nfs/dbraw/zinc/29/05/15/171290515.db2.gz BWPIAMLMUSFRGN-AEFFLSMTSA-N 1 0 282.387 3.282 10 0 CGAERO CCc1ccc([C@@H]([NH3+])CN2CCc3ccccc3C2)cc1 ZINC000021503740 171306957 /nfs/dbraw/zinc/30/69/57/171306957.db2.gz AUEWDBGKBUSOMR-IBGZPJMESA-N 1 0 280.415 3.307 10 0 CGAERO CCCOc1ccc([C@H](N)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000021787172 171323070 /nfs/dbraw/zinc/32/30/70/171323070.db2.gz WVTAJYGXZXOOHO-IIDMSEBBSA-N 1 0 290.451 3.453 10 0 CGAERO C[C@@H]1C[C@H]1c1ccc([C@@H](C[NH3+])N2CCCCCC2)o1 ZINC000022172370 171368987 /nfs/dbraw/zinc/36/89/87/171368987.db2.gz UYHKWWLUYHMWBD-MGPQQGTHSA-N 1 0 262.397 3.279 10 0 CGAERO C[C@@H]([NH3+])c1ccccc1NC(=O)Cc1ccccc1F ZINC000022221050 171377724 /nfs/dbraw/zinc/37/77/24/171377724.db2.gz NPUDKAQNOCQWPF-LLVKDONJSA-N 1 0 272.323 3.027 10 0 CGAERO COc1ccc([C@@H]([NH3+])[C@@H](C)Oc2ccccc2F)cc1 ZINC000022567200 171392413 /nfs/dbraw/zinc/39/24/13/171392413.db2.gz NCPNGHHPSWLNTJ-BZNIZROVSA-N 1 0 275.323 3.302 10 0 CGAERO Cc1cccc(NC(=O)C[NH2+][C@H]2CCc3ccccc32)c1 ZINC000035180526 172034200 /nfs/dbraw/zinc/03/42/00/172034200.db2.gz PVPYCMPYPCNPCS-KRWDZBQOSA-N 1 0 280.371 3.211 10 0 CGAERO Cc1ccc(Oc2nc3sccn3c2C[NH3+])cc1C ZINC000035430615 172198870 /nfs/dbraw/zinc/19/88/70/172198870.db2.gz HODHNEGKZPIIBE-UHFFFAOYSA-N 1 0 273.361 3.264 10 0 CGAERO C[NH2+][C@@H](Cc1ccc(OC)cc1)c1ccc(F)cc1 ZINC000035463997 172211574 /nfs/dbraw/zinc/21/15/74/172211574.db2.gz PTFCHFFTBZSAIW-INIZCTEOSA-N 1 0 259.324 3.338 10 0 CGAERO CC[C@@H](C)[C@@H]([NH2+]C)c1ccc2c(c1)CCCC(=O)N2 ZINC000035503373 172237240 /nfs/dbraw/zinc/23/72/40/172237240.db2.gz TXBBUQVQKLOWMH-BDJLRTHQSA-N 1 0 260.381 3.268 10 0 CGAERO CC[NH2+][C@@H](c1ccc2c(c1)OCCCO2)[C@H]1C[C@@H]1C ZINC000035541573 172249380 /nfs/dbraw/zinc/24/93/80/172249380.db2.gz ARZAJLVRPYVJIM-RBOXIYTFSA-N 1 0 261.365 3.155 10 0 CGAERO CC[NH2+][C@H](c1cc2c(cc1Cl)OCCO2)[C@H]1C[C@@H]1C ZINC000035557849 172263166 /nfs/dbraw/zinc/26/31/66/172263166.db2.gz VOFJMVCLPSJEIH-YHAQOWFVSA-N 1 0 281.783 3.418 10 0 CGAERO CC[NH2+][C@@H](Cc1ncc[nH]1)c1cccc(Br)c1 ZINC000035570167 172265245 /nfs/dbraw/zinc/26/52/45/172265245.db2.gz OLGHWUAQTSPKMJ-LBPRGKRZSA-N 1 0 294.196 3.066 10 0 CGAERO CC[NH2+][C@@H](c1ccoc1)c1ccc2c(c1)C[C@H](C)O2 ZINC000035570586 172266427 /nfs/dbraw/zinc/26/64/27/172266427.db2.gz TZOLTTOXLWPIOQ-MEDUHNTESA-N 1 0 257.333 3.302 10 0 CGAERO CCC[NH2+][C@@H](C)c1cccc(NC(=O)OCC)c1 ZINC000035645672 172322679 /nfs/dbraw/zinc/32/26/79/172322679.db2.gz RYFILNKAYXFIQR-NSHDSACASA-N 1 0 250.342 3.316 10 0 CGAERO Cc1c(N)cccc1C[N@H+](C)Cc1cccc(F)c1 ZINC000035649102 172325273 /nfs/dbraw/zinc/32/52/73/172325273.db2.gz XQGIDQGDDAVINZ-UHFFFAOYSA-N 1 0 258.340 3.348 10 0 CGAERO CN(Cc1cccs1)C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000035717759 172372040 /nfs/dbraw/zinc/37/20/40/172372040.db2.gz DTUSPWVIMFKTKZ-YDHLFZDLSA-N 1 0 264.438 3.101 10 0 CGAERO C[C@@H]1CCCC[C@]1(C[NH3+])N(C)Cc1ccsc1 ZINC000035719035 172373155 /nfs/dbraw/zinc/37/31/55/172373155.db2.gz RVFWRTDHZLASSZ-TZMCWYRMSA-N 1 0 252.427 3.088 10 0 CGAERO CC1CCC(C[NH3+])(N(C)Cc2ccsc2)CC1 ZINC000035719081 172373511 /nfs/dbraw/zinc/37/35/11/172373511.db2.gz GQOQJIBVDZQDBU-UHFFFAOYSA-N 1 0 252.427 3.088 10 0 CGAERO [NH3+]Cc1ccnc(Oc2ccccc2Br)c1 ZINC000035719780 172373662 /nfs/dbraw/zinc/37/36/62/172373662.db2.gz YSDOUSNPYXRIPW-UHFFFAOYSA-N 1 0 279.137 3.095 10 0 CGAERO [NH3+]C[C@H]1CCC[C@H]1Sc1ccc(C(F)(F)F)cn1 ZINC000035723701 172378848 /nfs/dbraw/zinc/37/88/48/172378848.db2.gz IECVRLRSMKHDAM-PSASIEDQSA-N 1 0 276.327 3.320 10 0 CGAERO CC[N@H+](C[C@H]1CNc2ccccc2O1)C1CCCC1 ZINC000035766498 172408337 /nfs/dbraw/zinc/40/83/37/172408337.db2.gz SRELETCSDRTFKY-CQSZACIVSA-N 1 0 260.381 3.124 10 0 CGAERO COc1cccc([C@@H]([NH3+])Cc2nc(C)c(C)s2)c1 ZINC000036279533 172570822 /nfs/dbraw/zinc/57/08/22/172570822.db2.gz WTKCEFOPPHAUBN-ZDUSSCGKSA-N 1 0 262.378 3.011 10 0 CGAERO C[C@@H](Nc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000037209879 173031774 /nfs/dbraw/zinc/03/17/74/173031774.db2.gz CAAZORSAGDLKDF-VXGBXAGGSA-N 1 0 252.789 3.482 10 0 CGAERO C[C@H]1CCC[C@@H](OC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000037222982 173043166 /nfs/dbraw/zinc/04/31/66/173043166.db2.gz DQKZWMWFSGMBLB-SMDDNHRTSA-N 1 0 262.353 3.273 10 0 CGAERO CC[C@@H]([NH2+][C@H](C)[C@@H]1CCCO1)c1ccccc1OC ZINC000037242291 173059004 /nfs/dbraw/zinc/05/90/04/173059004.db2.gz UMCYEFAGYKVGPE-YUELXQCFSA-N 1 0 263.381 3.303 10 0 CGAERO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000037303471 173108741 /nfs/dbraw/zinc/10/87/41/173108741.db2.gz RLLZMDDTCMAXKA-YCPHGPKFSA-N 1 0 261.365 3.057 10 0 CGAERO CCCn1c2ccc(Br)cc2nc1C[C@@H](C)[NH3+] ZINC000037441628 173211179 /nfs/dbraw/zinc/21/11/79/173211179.db2.gz BKPCFSMOAGNLRS-SECBINFHSA-N 1 0 296.212 3.099 10 0 CGAERO CCC[NH2+][C@@]1(C(=O)OCC)C[C@@H](C)CC[C@@H]1C(C)C ZINC000037513524 173244757 /nfs/dbraw/zinc/24/47/57/173244757.db2.gz CKHZUXSYPONGSL-LZWOXQAQSA-N 1 0 269.429 3.380 10 0 CGAERO CCC[NH2+][C@H](Cc1cccc(Cl)c1)c1cnccn1 ZINC000037536069 173255065 /nfs/dbraw/zinc/25/50/65/173255065.db2.gz LEPJLSYAUWJVJR-CQSZACIVSA-N 1 0 275.783 3.413 10 0 CGAERO Cc1cc(COc2ccc(Cl)cc2C[C@H](C)[NH3+])no1 ZINC000037725747 173643973 /nfs/dbraw/zinc/64/39/73/173643973.db2.gz MQZHNTHBKAIFEK-VIFPVBQESA-N 1 0 280.755 3.105 10 0 CGAERO [NH3+]Cc1ccc(F)c(-c2cnc3ccccc3c2)c1 ZINC000038069835 174081017 /nfs/dbraw/zinc/08/10/17/174081017.db2.gz CAIYROZVXQWZAY-UHFFFAOYSA-N 1 0 252.292 3.500 10 0 CGAERO Cc1nn(C)c(C)c1-c1ccccc1C[NH2+]C(C)C ZINC000038073187 174083241 /nfs/dbraw/zinc/08/32/41/174083241.db2.gz UOSJGKXWMAQGHE-UHFFFAOYSA-N 1 0 257.381 3.202 10 0 CGAERO COc1ccc(-c2ccc(OC)c(C[NH3+])c2)cc1Cl ZINC000038073261 174083263 /nfs/dbraw/zinc/08/32/63/174083263.db2.gz OVCUHEHQUBHNSV-UHFFFAOYSA-N 1 0 277.751 3.483 10 0 CGAERO C[NH2+]Cc1cc(-c2ccc3c(c2)CCO3)ccc1F ZINC000038072973 174083520 /nfs/dbraw/zinc/08/35/20/174083520.db2.gz GGTYTKUJDKTHES-UHFFFAOYSA-N 1 0 257.308 3.147 10 0 CGAERO O=C(CC1CC[NH2+]CC1)Nc1ccc2sccc2c1 ZINC000038075311 174085252 /nfs/dbraw/zinc/08/52/52/174085252.db2.gz STWAAOXFCPLSFR-UHFFFAOYSA-N 1 0 274.389 3.230 10 0 CGAERO Cc1cc(C)cc(COc2ccccc2CC[NH3+])c1 ZINC000038077516 174087870 /nfs/dbraw/zinc/08/78/70/174087870.db2.gz QMIAZITXVCPVIG-UHFFFAOYSA-N 1 0 255.361 3.384 10 0 CGAERO C[C@@H]1C[C@H](C)CN([C@H](C[NH3+])c2ccccc2Cl)C1 ZINC000039789082 174173047 /nfs/dbraw/zinc/17/30/47/174173047.db2.gz FXLCMONDWURIMH-TYNCELHUSA-N 1 0 266.816 3.318 10 0 CGAERO CC[NH+](CC)CCn1cnc2cc(Cl)ccc21 ZINC000040405496 174254306 /nfs/dbraw/zinc/25/43/06/174254306.db2.gz VRYJRATZRCRLCY-UHFFFAOYSA-N 1 0 251.761 3.032 10 0 CGAERO C[NH2+]Cc1nc2ccc(Cl)cc2n1CC(C)C ZINC000040417734 174256585 /nfs/dbraw/zinc/25/65/85/174256585.db2.gz YFJNBPKIFGRURZ-UHFFFAOYSA-N 1 0 251.761 3.065 10 0 CGAERO COc1cc(Cl)cc(C[NH2+]C2CC2)c1OC(C)C ZINC000040728367 174387866 /nfs/dbraw/zinc/38/78/66/174387866.db2.gz LDPHICQNISCBFP-UHFFFAOYSA-N 1 0 269.772 3.388 10 0 CGAERO C[NH2+]C[C@H](c1cc(OC)ccc1OC)C1CCCC1 ZINC000041356916 174535019 /nfs/dbraw/zinc/53/50/19/174535019.db2.gz KORCEJZEJWQIBM-HNNXBMFYSA-N 1 0 263.381 3.197 10 0 CGAERO C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H](O)c1cccs1 ZINC000042861391 174893282 /nfs/dbraw/zinc/89/32/82/174893282.db2.gz BFEOXUOBXMMDSW-UPJWGTAASA-N 1 0 253.411 3.197 10 0 CGAERO C[C@@H]([NH3+])[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000042900665 174905062 /nfs/dbraw/zinc/90/50/62/174905062.db2.gz CCTYQMMWHSCZRM-WBMJQRKESA-N 1 0 272.417 3.195 10 0 CGAERO [NH3+]C[C@H](OCCc1cccs1)c1ccc(F)cc1 ZINC000042942760 174918687 /nfs/dbraw/zinc/91/86/87/174918687.db2.gz GMECLIHCRLTIKK-AWEZNQCLSA-N 1 0 265.353 3.146 10 0 CGAERO CC[C@@H]([NH3+])[C@@H](OCCCOC)c1cccc(Cl)c1 ZINC000043018742 174944022 /nfs/dbraw/zinc/94/40/22/174944022.db2.gz HSWBSWCPGNTDOG-KGLIPLIRSA-N 1 0 271.788 3.172 10 0 CGAERO CC[C@H]([NH3+])[C@H](OC1CCCC1)c1ccccc1OC ZINC000043098921 174967097 /nfs/dbraw/zinc/96/70/97/174967097.db2.gz KTKHGLFLTPMHHA-GOEBONIOSA-N 1 0 263.381 3.433 10 0 CGAERO Nc1cc[nH+]c(Nc2cccc(Br)c2)c1 ZINC000043568747 175067489 /nfs/dbraw/zinc/06/74/89/175067489.db2.gz FMOVMFBQQUOYNC-UHFFFAOYSA-N 1 0 264.126 3.170 10 0 CGAERO CCCn1nc(C[NH2+][C@H](C)CC)c(-c2ccccc2)n1 ZINC000045944945 175387463 /nfs/dbraw/zinc/38/74/63/175387463.db2.gz YFCRYTKEWLCCKC-CYBMUJFWSA-N 1 0 272.396 3.243 10 0 CGAERO c1ccc(OCC[NH2+]Cc2cccc3ccccc32)nc1 ZINC000045945426 175387705 /nfs/dbraw/zinc/38/77/05/175387705.db2.gz BAHHSZVMTWBODZ-UHFFFAOYSA-N 1 0 278.355 3.403 10 0 CGAERO C[NH2+][C@@H](Cc1ccc(Cl)c(Cl)c1)[C@H]1CCOC1 ZINC000070579341 175994383 /nfs/dbraw/zinc/99/43/83/175994383.db2.gz FIIVESLXIFGZKZ-GWCFXTLKSA-N 1 0 274.191 3.160 10 0 CGAERO [NH3+]CCN(C(=O)CCC1CCCCC1)C1CCCC1 ZINC000070943539 176016264 /nfs/dbraw/zinc/01/62/64/176016264.db2.gz PXAJAHKWBFYXPT-UHFFFAOYSA-N 1 0 266.429 3.077 10 0 CGAERO Cc1cc(C)cc(OCc2ccc(F)cc2C[NH3+])c1 ZINC000071264046 176097247 /nfs/dbraw/zinc/09/72/47/176097247.db2.gz IPMQVVNXQQESSQ-UHFFFAOYSA-N 1 0 259.324 3.480 10 0 CGAERO CC(C)[C@@H](CCCC[NH3+])c1ccc2c(c1)OCCO2 ZINC000071595555 176218636 /nfs/dbraw/zinc/21/86/36/176218636.db2.gz UUMFDAOIOPBSEM-CQSZACIVSA-N 1 0 263.381 3.326 10 0 CGAERO COc1ccc([C@@H](O)[C@@H](C)[NH2+]C(C)C)cc1C(C)C ZINC000071597970 176221444 /nfs/dbraw/zinc/22/14/44/176221444.db2.gz LYYIJNHJLFZVPX-WBMJQRKESA-N 1 0 265.397 3.239 10 0 CGAERO C[NH2+][C@H](C(C)C)[C@@H](O)c1cc(C(C)C)ccc1OC ZINC000071597981 176221502 /nfs/dbraw/zinc/22/15/02/176221502.db2.gz AUBUHJLEMBYMEB-CVEARBPZSA-N 1 0 265.397 3.096 10 0 CGAERO CCOc1cc(C)c([C@H](O)[C@H](C)[NH2+]C(C)C)cc1C ZINC000071597989 176221612 /nfs/dbraw/zinc/22/16/12/176221612.db2.gz BGCCHKGKFIAPSF-XJKSGUPXSA-N 1 0 265.397 3.122 10 0 CGAERO CCOc1cc(C)c([C@@H](O)[C@@H](C)[NH2+]C(C)C)cc1C ZINC000071597988 176221657 /nfs/dbraw/zinc/22/16/57/176221657.db2.gz BGCCHKGKFIAPSF-CJNGLKHVSA-N 1 0 265.397 3.122 10 0 CGAERO CC[NH2+][C@@H](C)[C@@H](O)c1ccc(OC)c(C(C)(C)C)c1 ZINC000071597951 176221728 /nfs/dbraw/zinc/22/17/28/176221728.db2.gz RFIVUDBIKLJNRD-XHDPSFHLSA-N 1 0 265.397 3.024 10 0 CGAERO CC(C)c1c(C[NH3+])cnn1-c1ccc(C(F)(F)F)cc1 ZINC000071633348 176238027 /nfs/dbraw/zinc/23/80/27/176238027.db2.gz OIBIRLYLKDIORT-UHFFFAOYSA-N 1 0 283.297 3.473 10 0 CGAERO COc1cc2c(cc1OC)C(C)(C)C[NH2+][C@H]2c1ccccn1 ZINC000071652625 176241770 /nfs/dbraw/zinc/24/17/70/176241770.db2.gz AARAWBANTYZLIV-QGZVFWFLSA-N 1 0 298.386 3.069 10 0 CGAERO CC[C@H](C)c1ccc(N(C)C(=O)C[NH2+]C(C)C)cc1 ZINC000076357343 177000102 /nfs/dbraw/zinc/00/01/02/177000102.db2.gz KXPDNMYNFVQTDB-ZDUSSCGKSA-N 1 0 262.397 3.161 10 0 CGAERO Cc1cc(C(C)(C)C)cc(C)c1CN1CC[NH2+]C[C@@H]1C ZINC000076436287 177024399 /nfs/dbraw/zinc/02/43/99/177024399.db2.gz ZXMFLUHVYWKTEK-HNNXBMFYSA-N 1 0 274.452 3.395 10 0 CGAERO Cc1ccc(Cl)cc1NC(=O)C1(C[NH3+])CCCCC1 ZINC000076477066 177025748 /nfs/dbraw/zinc/02/57/48/177025748.db2.gz AZSVZZCPXRHXFD-UHFFFAOYSA-N 1 0 280.799 3.496 10 0 CGAERO Cc1cc([C@H](C[NH3+])CCOc2ccccc2)c(C)[nH]1 ZINC000076667268 177051461 /nfs/dbraw/zinc/05/14/61/177051461.db2.gz QJXAQTDKXVFVKA-AWEZNQCLSA-N 1 0 258.365 3.143 10 0 CGAERO Cc1cccc(C)c1OC[C@@H](CC[NH3+])c1ccc[nH]1 ZINC000076667545 177051670 /nfs/dbraw/zinc/05/16/70/177051670.db2.gz PGDCPCQEYIQJMO-CQSZACIVSA-N 1 0 258.365 3.143 10 0 CGAERO COc1ccc(C[C@H](CC[NH3+])c2cccs2)cc1 ZINC000076673073 177054512 /nfs/dbraw/zinc/05/45/12/177054512.db2.gz ROPHPGMLWQTFPS-ZDUSSCGKSA-N 1 0 261.390 3.432 10 0 CGAERO C[C@@H](C[NH3+])CCC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000076676105 177056008 /nfs/dbraw/zinc/05/60/08/177056008.db2.gz FRBZSRJKIAXMJN-GFCCVEGCSA-N 1 0 262.397 3.298 10 0 CGAERO CC[C@H](CCC[NH3+])C(=O)Nc1ccc(Cl)cc1C ZINC000076706024 177065497 /nfs/dbraw/zinc/06/54/97/177065497.db2.gz CDODUWQIPWTIEO-LLVKDONJSA-N 1 0 268.788 3.352 10 0 CGAERO C[C@@H](CCC[NH3+])C(=O)Nc1ccc(Cl)cc1Cl ZINC000076722345 177069784 /nfs/dbraw/zinc/06/97/84/177069784.db2.gz VOECHOSZWWOPRI-QMMMGPOBSA-N 1 0 275.179 3.307 10 0 CGAERO C[C@@H](CCC[NH3+])C(=O)Nc1cccc(Cl)c1Cl ZINC000076722365 177070015 /nfs/dbraw/zinc/07/00/15/177070015.db2.gz HYUUTPYFCFKQOD-QMMMGPOBSA-N 1 0 275.179 3.307 10 0 CGAERO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)C(C)C ZINC000078585395 177356692 /nfs/dbraw/zinc/35/66/92/177356692.db2.gz LPMADJFKZSRBJJ-STQMWFEESA-N 1 0 278.396 3.046 10 0 CGAERO C[C@@H](N[C@@H]1C[NH2+]C[C@@H](C)C1)c1ccc(Cl)s1 ZINC000401796449 416546487 /nfs/dbraw/zinc/54/64/87/416546487.db2.gz JRBKYFIXRZJMLZ-AEJSXWLSSA-N 1 0 258.818 3.050 10 0 CGAERO Cc1cc(Cl)ccc1C[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000129798117 287339020 /nfs/dbraw/zinc/33/90/20/287339020.db2.gz XWPJJMDXDQEDSX-UKRRQHHQSA-N 1 0 267.800 3.289 10 0 CGAERO C[C@H]1CC(C)(C)C[C@@](C[NH3+])(C(=O)OC(C)(C)C)C1 ZINC000725244059 544111969 /nfs/dbraw/zinc/11/19/69/544111969.db2.gz DDUYPOUSKLLLIT-NHYWBVRUSA-N 1 0 255.402 3.119 10 0 CGAERO CC(C)[C@@H](C)NC(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000725264443 544113928 /nfs/dbraw/zinc/11/39/28/544113928.db2.gz 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261.752 3.141 10 0 CGAERO Cc1nc([C@H](C)NCc2cncc(Cl)c2)cs1 ZINC000621278299 349487554 /nfs/dbraw/zinc/48/75/54/349487554.db2.gz JWOCFNHMOAVMSG-QMMMGPOBSA-N 1 0 267.785 3.351 10 0 CGAERO COCc1nc(CSc2ccccc2)sc1C[NH3+] ZINC000082445747 178022267 /nfs/dbraw/zinc/02/22/67/178022267.db2.gz BRDXWWFWGBFPDD-UHFFFAOYSA-N 1 0 280.418 3.041 10 0 CGAERO Cc1c(C[NH2+]CC(C)C)cnn1-c1ccc(F)cc1 ZINC000082660810 178147328 /nfs/dbraw/zinc/14/73/28/178147328.db2.gz IGANTZVWKACIOA-UHFFFAOYSA-N 1 0 261.344 3.065 10 0 CGAERO COC(=O)CC[N@@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000127730321 187329449 /nfs/dbraw/zinc/32/94/49/187329449.db2.gz LAQWJAJAXBCWDK-GFCCVEGCSA-N 1 0 296.436 3.009 10 0 CGAERO [NH3+]C[C@@H]1c2cc(F)c(F)c(F)c2CN1Cc1ccccc1 ZINC000082702408 178210503 /nfs/dbraw/zinc/21/05/03/178210503.db2.gz AGDZLRKIJORFLK-CQSZACIVSA-N 1 0 292.304 3.120 10 0 CGAERO C[NH2+][C@H](C)c1ccc(F)c(-c2c(C)nn(C)c2C)c1 ZINC000082709777 178220434 /nfs/dbraw/zinc/22/04/34/178220434.db2.gz RHHIRFQBHQTCIH-SECBINFHSA-N 1 0 261.344 3.123 10 0 CGAERO O=C(c1ccc2c3c(cccc31)CC2)C1CC[NH2+]CC1 ZINC000083230290 178363110 /nfs/dbraw/zinc/36/31/10/178363110.db2.gz OLTIZROAXHVHHC-UHFFFAOYSA-N 1 0 265.356 3.121 10 0 CGAERO CC(C)[C@H](C[NH3+])c1cc(Br)ccc1F ZINC000083256024 178371378 /nfs/dbraw/zinc/37/13/78/178371378.db2.gz RTSSSZJHFUAUIC-JTQLQIEISA-N 1 0 260.150 3.287 10 0 CGAERO [NH3+]Cc1nc(-c2cc(Br)ccc2F)cs1 ZINC000083255856 178371480 /nfs/dbraw/zinc/37/14/80/178371480.db2.gz QCDBBSCTIFWQFQ-UHFFFAOYSA-N 1 0 287.157 3.170 10 0 CGAERO C[C@H](c1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000096883929 185119324 /nfs/dbraw/zinc/11/93/24/185119324.db2.gz LWVKLBJQYAPNMN-MWLCHTKSSA-N 1 0 254.171 3.162 10 0 CGAERO CCc1cc(OC)c([C@@H]([NH3+])CC(C)C)cc1OC ZINC000096889452 185123949 /nfs/dbraw/zinc/12/39/49/185123949.db2.gz ASVZVMUTKZTYRS-ZDUSSCGKSA-N 1 0 251.370 3.312 10 0 CGAERO c1ccc(CN2CCCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000096950573 185138965 /nfs/dbraw/zinc/13/89/65/185138965.db2.gz IMOYSNJGCKQZCQ-IRXDYDNUSA-N 1 0 258.409 3.183 10 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346366036 /nfs/dbraw/zinc/36/60/36/346366036.db2.gz QLWAOBBSPJYFGE-QZTJIDSGSA-N 1 0 289.419 3.271 10 0 CGAERO C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CCCCC1)C[NH+]1CCCC1 ZINC000247480351 346370909 /nfs/dbraw/zinc/37/09/09/346370909.db2.gz SSNWYBKLNGYNNG-HYVNUMGLSA-N 1 0 292.467 3.051 10 0 CGAERO Cc1ccc(C(C)C)cc1NC(=O)CC[NH2+]C1CC1 ZINC000098160119 185694653 /nfs/dbraw/zinc/69/46/53/185694653.db2.gz FDIXDSUUYMYTNN-UHFFFAOYSA-N 1 0 260.381 3.199 10 0 CGAERO CC1(C)[C@@H](C[NH3+])[C@@H]1c1ccc(Br)s1 ZINC000301022428 346439373 /nfs/dbraw/zinc/43/93/73/346439373.db2.gz QKEHSBCIRABCJM-IMTBSYHQSA-N 1 0 260.200 3.209 10 0 CGAERO [NH3+][C@@]1(Cc2cc(Br)cs2)CC=CCC1 ZINC000306582826 346455373 /nfs/dbraw/zinc/45/53/73/346455373.db2.gz PKJSCYYURIHQLR-NSHDSACASA-N 1 0 272.211 3.491 10 0 CGAERO C[C@@H]1[C@H](Nc2ccnc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000306729070 346457158 /nfs/dbraw/zinc/45/71/58/346457158.db2.gz OGFAKZWOLTWHSZ-CZUORRHYSA-N 1 0 285.366 3.296 10 0 CGAERO Cc1cocc1[C@@H]([NH3+])c1sccc1Br ZINC000307243970 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Cc1csc(S[C@H](C[NH3+])C(F)(F)C(F)(F)F)n1 ZINC000616568462 348833745 /nfs/dbraw/zinc/83/37/45/348833745.db2.gz AMFBPMITPRDIRB-RXMQYKEDSA-N 1 0 292.298 3.069 10 0 CGAERO CNc1cccc([C@@H]2CCc3ccccc3N2CC[NH3+])c1 ZINC000616595085 348839363 /nfs/dbraw/zinc/83/93/63/348839363.db2.gz VCANDUZIRNAFCC-SFHVURJKSA-N 1 0 281.403 3.181 10 0 CGAERO CC[N@@H+]1CCOCC[C@H]1c1ccc2ccccc2n1 ZINC000616598782 348840422 /nfs/dbraw/zinc/84/04/22/348840422.db2.gz RAUDMAAPAQZRFE-INIZCTEOSA-N 1 0 256.349 3.018 10 0 CGAERO OCc1ccc([C@@H]2CCOCC[N@@H+]2Cc2ccccc2)cc1 ZINC000616597458 348840538 /nfs/dbraw/zinc/84/05/38/348840538.db2.gz FYMJZRYPWIJFQL-IBGZPJMESA-N 1 0 297.398 3.143 10 0 CGAERO CC[N@@H+]1CCCOC[C@H]1c1cncc2ccccc21 ZINC000616597104 348840615 /nfs/dbraw/zinc/84/06/15/348840615.db2.gz MZWDXLXZTLUBOA-INIZCTEOSA-N 1 0 256.349 3.018 10 0 CGAERO FC(F)(F)O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000616618784 348848138 /nfs/dbraw/zinc/84/81/38/348848138.db2.gz YTVUPOUNLAJHTP-GFCCVEGCSA-N 1 0 259.271 3.187 10 0 CGAERO 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270.779 3.302 10 0 CGAERO CC[C@@H]1C[NH2+][C@H](C)CN1c1ccccc1C(F)(F)F ZINC000083535425 135027267 /nfs/dbraw/zinc/02/72/67/135027267.db2.gz MZHAHQYFUOHEJX-GHMZBOCLSA-N 1 0 272.314 3.282 10 0 CGAERO C[C@H]1CN(c2ccc3c(c2)Cc2ccccc2-3)[C@@H](C)C[NH2+]1 ZINC000083587285 135030165 /nfs/dbraw/zinc/03/01/65/135030165.db2.gz DDLGHKSTRMHOSP-KBPBESRZSA-N 1 0 278.399 3.444 10 0 CGAERO COc1cccc(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)c1F ZINC000669685160 543117569 /nfs/dbraw/zinc/11/75/69/543117569.db2.gz ZZCFTFPCSIXTOU-RYUDHWBXSA-N 1 0 281.371 3.128 10 0 CGAERO CNC(=O)c1ccc(C[NH2+][C@@H]2C[C@H](C)CC(C)(C)C2)cc1 ZINC000020093331 397604776 /nfs/dbraw/zinc/60/47/76/397604776.db2.gz UFMGVSRMXXZXBC-XJKSGUPXSA-N 1 0 288.435 3.351 10 0 CGAERO Cc1ccc(NC(=O)[C@H]([NH3+])CC(C)C)cc1C(F)(F)F ZINC000044270555 397618831 /nfs/dbraw/zinc/61/88/31/397618831.db2.gz HFUWVVZRMRNRFX-GFCCVEGCSA-N 1 0 288.313 3.326 10 0 CGAERO Cc1sc2nc(C)nc(NCCC3(C[NH3+])CC3)c2c1C ZINC000395856644 397696915 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IEQQMURUFCXMTN-PRLABOORSA-N 1 0 294.483 3.473 10 0 CGAERO Cc1ccc([C@H](C)[NH2+]C2CCC(O)CC2)cc1F ZINC000090800305 165244525 /nfs/dbraw/zinc/24/45/25/165244525.db2.gz PQLDZNQJTGXPKQ-XGNXJENSSA-N 1 0 251.345 3.088 10 0 CGAERO OC1CC(C[NH2+][C@@H]2CCCC[C@@H]2C2CCCCC2)C1 ZINC000091524129 287108152 /nfs/dbraw/zinc/10/81/52/287108152.db2.gz LRDDUXGCIZICDN-OKEQZYBDSA-N 1 0 265.441 3.486 10 0 CGAERO CCn1cc(C[NH+]2CCC(c3nc(C)cs3)CC2)cn1 ZINC000092787342 165310341 /nfs/dbraw/zinc/31/03/41/165310341.db2.gz RAYQZDDYPQIAAO-UHFFFAOYSA-N 1 0 290.436 3.048 10 0 CGAERO Cc1c(C[NH2+][C@@H](C)c2cccc(OC(C)C)c2)cnn1C ZINC000093649622 165335910 /nfs/dbraw/zinc/33/59/10/165335910.db2.gz RNNKLDBPHUZLSJ-ZDUSSCGKSA-N 1 0 287.407 3.367 10 0 CGAERO CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1c(C)nn(C)c1OC ZINC000093845199 165339844 /nfs/dbraw/zinc/33/98/44/165339844.db2.gz GAJYKNJPHGNYFS-WFASDCNBSA-N 1 0 279.428 3.138 10 0 CGAERO C[C@H](c1ccc(Cl)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094448909 165349126 /nfs/dbraw/zinc/34/91/26/165349126.db2.gz ZTJRVHDTTPQFLY-IUODEOHRSA-N 1 0 264.800 3.181 10 0 CGAERO C[C@@H](c1ccc(Cl)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094448908 165350375 /nfs/dbraw/zinc/35/03/75/165350375.db2.gz ZTJRVHDTTPQFLY-SWLSCSKDSA-N 1 0 264.800 3.181 10 0 CGAERO Cc1ccc([C@H](C)NC(=O)CCCCCC[NH3+])cc1F ZINC000094956482 165399343 /nfs/dbraw/zinc/39/93/43/165399343.db2.gz BUXLBMFWQWUEQP-ZDUSSCGKSA-N 1 0 280.387 3.221 10 0 CGAERO CCC[C@H]([NH2+][C@@H]1CCc2nc(CC)nn2C1)c1ccccc1 ZINC000180608735 165663379 /nfs/dbraw/zinc/66/33/79/165663379.db2.gz GOQWVEAVLSUIMK-CVEARBPZSA-N 1 0 298.434 3.286 10 0 CGAERO CCCCCC[NH2+]C[C@@H]1CCc2ccc(O)cc2O1 ZINC000003959251 169926988 /nfs/dbraw/zinc/92/69/88/169926988.db2.gz QNPXMHDZEWNMNS-HNNXBMFYSA-N 1 0 263.381 3.256 10 0 CGAERO CC[C@@H](c1c(C)cc(N)[nH+]c1C)n1nnc2ccccc21 ZINC000005337095 170087032 /nfs/dbraw/zinc/08/70/32/170087032.db2.gz KDEUHHKDRRIKGW-ZDUSSCGKSA-N 1 0 281.363 3.025 10 0 CGAERO CCOc1ccccc1C[C@@H](C[NH3+])c1ccccc1 ZINC000011587961 170423317 /nfs/dbraw/zinc/42/33/17/170423317.db2.gz ZOWOBAANJDORMY-INIZCTEOSA-N 1 0 255.361 3.370 10 0 CGAERO COc1ccc(OC)c([C@@H]([NH3+])Cc2ccccc2C)c1 ZINC000011602246 170425643 /nfs/dbraw/zinc/42/56/43/170425643.db2.gz LHORXMJRGUFGGC-INIZCTEOSA-N 1 0 271.360 3.255 10 0 CGAERO COc1ccc(OC)c(CC[C@H]([NH3+])c2ccccc2)c1 ZINC000011606199 170426971 /nfs/dbraw/zinc/42/69/71/170426971.db2.gz NEEJJJSEPLSTSO-INIZCTEOSA-N 1 0 271.360 3.336 10 0 CGAERO [NH3+]CCc1ccc(OCCCc2ccccc2)cc1 ZINC000011891624 170455204 /nfs/dbraw/zinc/45/52/04/170455204.db2.gz WGNXMGAAUHGHEO-UHFFFAOYSA-N 1 0 255.361 3.199 10 0 CGAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C)cc1Br ZINC000019518346 170824375 /nfs/dbraw/zinc/82/43/75/170824375.db2.gz XZGPIRCMPRFYTP-BXKDBHETSA-N 1 0 299.212 3.069 10 0 CGAERO O=C(Nc1ccc2c(c1)CCC2)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019809807 170878238 /nfs/dbraw/zinc/87/82/38/170878238.db2.gz DWCVDXSPKSPGFK-BHYGNILZSA-N 1 0 284.403 3.035 10 0 CGAERO COc1cc([C@@H](C)[NH2+]CCc2cccs2)ccc1O ZINC000019949160 170938376 /nfs/dbraw/zinc/93/83/76/170938376.db2.gz XXWIIWGBZXKAPM-LLVKDONJSA-N 1 0 277.389 3.356 10 0 CGAERO [NH3+][C@H](CC1CCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000019968177 170949783 /nfs/dbraw/zinc/94/97/83/170949783.db2.gz GRSLAEBWISMTEH-CQSZACIVSA-N 1 0 258.365 3.151 10 0 CGAERO [NH3+][C@H](Cc1cccc(F)c1)c1ccc(F)c(F)c1 ZINC000019968467 170950609 /nfs/dbraw/zinc/95/06/09/170950609.db2.gz UWMJAFIHHDVYJM-CQSZACIVSA-N 1 0 251.251 3.346 10 0 CGAERO COCCc1ccc([C@@H]([NH3+])Cc2ccc(OC)cc2)cc1 ZINC000019970779 170953703 /nfs/dbraw/zinc/95/37/03/170953703.db2.gz ATSZRHWDVQRFIC-SFHVURJKSA-N 1 0 285.387 3.127 10 0 CGAERO C[C@H]([NH2+][C@H]1COc2cc(O)ccc21)c1ccc(F)cc1 ZINC000020095771 170995516 /nfs/dbraw/zinc/99/55/16/170995516.db2.gz RYAZTIJGXKRWAC-BONVTDFDSA-N 1 0 273.307 3.316 10 0 CGAERO C=COCCC[NH2+]Cc1cc2c(cc1OCC)C[C@H](C)O2 ZINC000020197010 171061416 /nfs/dbraw/zinc/06/14/16/171061416.db2.gz OHSUDULINGSVIY-ZDUSSCGKSA-N 1 0 291.391 3.049 10 0 CGAERO COc1ccc(CN(C)[C@H](C[NH3+])c2ccccc2C)cc1 ZINC000020225453 171088603 /nfs/dbraw/zinc/08/86/03/171088603.db2.gz NPXQMKVJJZSVDQ-GOSISDBHSA-N 1 0 284.403 3.135 10 0 CGAERO COc1cccc(CN(C)[C@@H](C[NH3+])c2ccccc2C)c1 ZINC000020225450 171088806 /nfs/dbraw/zinc/08/88/06/171088806.db2.gz JUJIWAPOZPJCKN-SFHVURJKSA-N 1 0 284.403 3.135 10 0 CGAERO CC(C)(C)c1ccc([C@@H](C[NH3+])N2CCSCC2)cc1 ZINC000020257005 171111876 /nfs/dbraw/zinc/11/18/76/171111876.db2.gz ZLKKEFVWLHEOTB-OAHLLOKOSA-N 1 0 278.465 3.033 10 0 CGAERO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C ZINC000020366120 171164865 /nfs/dbraw/zinc/16/48/65/171164865.db2.gz XUAWFBCZMSOWOY-COMQUAJESA-N 1 0 268.445 3.094 10 0 CGAERO COc1ccc([C@@H]([NH3+])C(C)C)cc1Br ZINC000020369238 171167196 /nfs/dbraw/zinc/16/71/96/171167196.db2.gz BHFOIRNHGNQBFQ-NSHDSACASA-N 1 0 258.159 3.114 10 0 CGAERO [NH3+][C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000020429175 171194553 /nfs/dbraw/zinc/19/45/53/171194553.db2.gz MGPBYHWAPBRAHN-CYBMUJFWSA-N 1 0 277.165 3.087 10 0 CGAERO CC(C)CCCCCC[NH2+][C@@H]1CN2CCC1CC2 ZINC000020441887 171204950 /nfs/dbraw/zinc/20/49/50/171204950.db2.gz FSABTNWBVDWPIR-MRXNPFEDSA-N 1 0 252.446 3.277 10 0 CGAERO CC(C)Oc1ccc(NC(=O)c2cccc(C[NH3+])c2)cc1 ZINC000020472690 171215695 /nfs/dbraw/zinc/21/56/95/171215695.db2.gz FIMKTJUKPRBZBU-UHFFFAOYSA-N 1 0 284.359 3.185 10 0 CGAERO CCCCCCOC[C@H]([NH3+])c1ccc(OC)cc1 ZINC000020512559 171231036 /nfs/dbraw/zinc/23/10/36/171231036.db2.gz BXDKODJBYJMMPM-HNNXBMFYSA-N 1 0 251.370 3.292 10 0 CGAERO C[C@@H]([NH3+])COc1c(Cl)cc(Cl)cc1Cl ZINC000020518790 171233331 /nfs/dbraw/zinc/23/33/31/171233331.db2.gz IRUDGLPWBQTUOJ-RXMQYKEDSA-N 1 0 254.544 3.373 10 0 CGAERO C[C@@H]1CCCC[C@]1(C[NH3+])N(C)Cc1cccc(F)c1 ZINC000020548045 171245640 /nfs/dbraw/zinc/24/56/40/171245640.db2.gz FIIYADSYLIPFNX-CZUORRHYSA-N 1 0 264.388 3.165 10 0 CGAERO Nc1[nH+]c2ccccc2n1-c1ccc(F)cc1Cl ZINC000020595398 171264037 /nfs/dbraw/zinc/26/40/37/171264037.db2.gz CNMDNFYJOGUWDJ-UHFFFAOYSA-N 1 0 261.687 3.400 10 0 CGAERO CCCOc1ccc2ccccc2c1CNCCC[NH2+]C ZINC000020967980 171282894 /nfs/dbraw/zinc/28/28/94/171282894.db2.gz UZYFJCZCIUKYMZ-UHFFFAOYSA-N 1 0 286.419 3.328 10 0 CGAERO CC[C@@H]1CC[C@H]([NH3+])[C@@H](Oc2ccc3c(c2)CCC3)C1 ZINC000021011969 171287440 /nfs/dbraw/zinc/28/74/40/171287440.db2.gz DOTZHFDAEPTSNH-DQYPLSBCSA-N 1 0 259.393 3.460 10 0 CGAERO CC(C)[C@H]([C@@H](N)c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000021816676 171332451 /nfs/dbraw/zinc/33/24/51/171332451.db2.gz AIUBBTLQHFCRBR-HYVNUMGLSA-N 1 0 260.425 3.443 10 0 CGAERO COc1cc(C[NH3+])ccc1Oc1ccc2ccccc2n1 ZINC000021963623 171343116 /nfs/dbraw/zinc/34/31/16/171343116.db2.gz ABCAYVLOHHVKGG-UHFFFAOYSA-N 1 0 280.327 3.494 10 0 CGAERO Cc1ccc(N)cc1NC(=O)CCC[N@H+]1CCC[C@@H](C)C1 ZINC000022152330 171359659 /nfs/dbraw/zinc/35/96/59/171359659.db2.gz YAPUUODGDOPWIG-CYBMUJFWSA-N 1 0 289.423 3.028 10 0 CGAERO CCC[NH+](CCC)[C@@H](C)C(=O)Nc1ccc(N)cc1Cl ZINC000022153773 171360469 /nfs/dbraw/zinc/36/04/69/171360469.db2.gz OAQZDEUOMSBPKT-NSHDSACASA-N 1 0 297.830 3.371 10 0 CGAERO CCC[NH+](CCC)CCCC(=O)Nc1cccc(N)c1 ZINC000022153705 171360875 /nfs/dbraw/zinc/36/08/75/171360875.db2.gz PZQDNSJMUSTZSF-UHFFFAOYSA-N 1 0 277.412 3.110 10 0 CGAERO Cc1cc(N)ccc1NC(=O)CCC[NH+]1CCC(C)CC1 ZINC000022155942 171362557 /nfs/dbraw/zinc/36/25/57/171362557.db2.gz IMZNSCAMHOTATP-UHFFFAOYSA-N 1 0 289.423 3.028 10 0 CGAERO C[C@H]([NH3+])c1ccccc1NC(=O)c1cccc(F)c1 ZINC000022164317 171365241 /nfs/dbraw/zinc/36/52/41/171365241.db2.gz XQOGWOZSRPXYOS-JTQLQIEISA-N 1 0 258.296 3.098 10 0 CGAERO C[C@@H]1CN([C@H](C[NH3+])c2ccc(C(C)(C)C)cc2)C[C@@H](C)O1 ZINC000022168004 171366755 /nfs/dbraw/zinc/36/67/55/171366755.db2.gz OXRVNGPFEPZKQN-CKEIUWERSA-N 1 0 290.451 3.093 10 0 CGAERO C[C@@H]([NH3+])c1ccccc1NC(=O)NC1CCCCC1 ZINC000022210800 171373503 /nfs/dbraw/zinc/37/35/03/171373503.db2.gz GSNIBKBQMQMMQR-LLVKDONJSA-N 1 0 261.369 3.161 10 0 CGAERO CC1(C)Cc2cccc(Oc3ccc(C[NH3+])cn3)c2O1 ZINC000022210828 171373536 /nfs/dbraw/zinc/37/35/36/171373536.db2.gz DYBVYFDVDUVJEI-UHFFFAOYSA-N 1 0 270.332 3.046 10 0 CGAERO COc1ccc([C@H]([NH3+])COc2ccc(F)cc2F)cc1 ZINC000022563182 171391014 /nfs/dbraw/zinc/39/10/14/171391014.db2.gz AMKXFFMMYWMXHV-CQSZACIVSA-N 1 0 279.286 3.052 10 0 CGAERO COc1ccc([C@H]([NH3+])[C@@H](C)Oc2ccccc2)cc1 ZINC000022563232 171391227 /nfs/dbraw/zinc/39/12/27/171391227.db2.gz QEMRSOODKDMYCF-MLGOLLRUSA-N 1 0 257.333 3.163 10 0 CGAERO [NH3+][C@@H]1CC[C@H](c2ccccc2)C[C@@H]1OCC(F)(F)F ZINC000022565155 171392002 /nfs/dbraw/zinc/39/20/02/171392002.db2.gz WNTKJLMOEHTZAW-XQQFMLRXSA-N 1 0 273.298 3.229 10 0 CGAERO [NH3+][C@@H](Cc1ccccc1)[C@@H](c1ccccc1)n1ccnc1 ZINC000022565194 171392014 /nfs/dbraw/zinc/39/20/14/171392014.db2.gz FNZASKVUDGTAEV-ZWKOTPCHSA-N 1 0 277.371 3.043 10 0 CGAERO Cc1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)c(C)c1 ZINC000024276471 171433709 /nfs/dbraw/zinc/43/37/09/171433709.db2.gz WNSDWTKQQZSBPZ-GOSISDBHSA-N 1 0 296.414 3.336 10 0 CGAERO CCN(CC)CC[NH2+][C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000031771808 171646578 /nfs/dbraw/zinc/64/65/78/171646578.db2.gz CWMTVGNXDJOOBJ-OFQRWUPVSA-N 1 0 252.446 3.133 10 0 CGAERO COc1ccc(CCCC[NH2+]C(C)C)cc1OC ZINC000034335073 171837382 /nfs/dbraw/zinc/83/73/82/171837382.db2.gz KPCHMMNQACXGQT-UHFFFAOYSA-N 1 0 251.370 3.025 10 0 CGAERO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccn1 ZINC000035258159 172089447 /nfs/dbraw/zinc/08/94/47/172089447.db2.gz SVHQAENCRSINRP-NEPJUHHUSA-N 1 0 258.287 3.292 10 0 CGAERO CC[NH2+][C@H](c1cccs1)c1ccc2c(c1)OCCO2 ZINC000035544955 172252767 /nfs/dbraw/zinc/25/27/67/172252767.db2.gz MDWYUDXDEWRDNS-HNNXBMFYSA-N 1 0 275.373 3.218 10 0 CGAERO CC[NH2+][C@@H](CC(C)C)c1ccc(OC)cc1OC ZINC000035546100 172254017 /nfs/dbraw/zinc/25/40/17/172254017.db2.gz YMUVMAQXMALLDH-AWEZNQCLSA-N 1 0 251.370 3.401 10 0 CGAERO Cc1ccc(-n2nnnc2C(C)(C)[NH2+]C2CCCCC2)cc1 ZINC000035622105 172303923 /nfs/dbraw/zinc/30/39/23/172303923.db2.gz HULMEWOWBQXAEK-UHFFFAOYSA-N 1 0 299.422 3.128 10 0 CGAERO C[NH2+]Cc1c(OC[C@@H]2CCCO2)ccc2ccccc21 ZINC000035630643 172312090 /nfs/dbraw/zinc/31/20/90/172312090.db2.gz SARYQICZZAWMDC-AWEZNQCLSA-N 1 0 271.360 3.117 10 0 CGAERO C[NH2+][C@H]1CCOc2c(Cl)cc(Br)cc21 ZINC000035653753 172330336 /nfs/dbraw/zinc/33/03/36/172330336.db2.gz FQCOIFBVTSMONT-VIFPVBQESA-N 1 0 276.561 3.146 10 0 CGAERO CC[NH2+][C@@H]1COc2c1cc(Br)cc2Cl ZINC000035653767 172331012 /nfs/dbraw/zinc/33/10/12/172331012.db2.gz APHHQIYLBXLTGU-SECBINFHSA-N 1 0 276.561 3.146 10 0 CGAERO Cc1ccc([C@H](C[NH3+])N(C)Cc2ccsc2)cc1 ZINC000035718841 172373088 /nfs/dbraw/zinc/37/30/88/172373088.db2.gz KZDVGORNXFLCEO-HNNXBMFYSA-N 1 0 260.406 3.188 10 0 CGAERO [NH3+]Cc1ccnc(Oc2ccc(Br)cc2F)c1 ZINC000035719865 172374099 /nfs/dbraw/zinc/37/40/99/172374099.db2.gz DWUCFQFJLBASOU-UHFFFAOYSA-N 1 0 297.127 3.234 10 0 CGAERO [NH3+]Cc1cccnc1Oc1cccc(Br)c1 ZINC000035719815 172374257 /nfs/dbraw/zinc/37/42/57/172374257.db2.gz VSIIJEAAHBEGHD-UHFFFAOYSA-N 1 0 279.137 3.095 10 0 CGAERO [NH3+]C[C@@H]1CCCC[C@@H]1Sc1nc2ccccc2o1 ZINC000035724442 172379497 /nfs/dbraw/zinc/37/94/97/172379497.db2.gz OAKGJECNVGIBHP-GWCFXTLKSA-N 1 0 262.378 3.437 10 0 CGAERO COC(C)(C)C[C@H](C)[NH2+][C@H]1CCOc2ccccc21 ZINC000037074220 172933497 /nfs/dbraw/zinc/93/34/97/172933497.db2.gz XFSYKQYGDHVBFS-JSGCOSHPSA-N 1 0 263.381 3.303 10 0 CGAERO O[C@@H]1CCC[C@H]([NH2+]C2CC(c3ccccc3Cl)C2)C1 ZINC000037166145 173000177 /nfs/dbraw/zinc/00/01/77/173000177.db2.gz SUHPRNLTXXURIZ-GNRIBBGQSA-N 1 0 279.811 3.479 10 0 CGAERO COc1cc(C)ccc1[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000037242734 173058992 /nfs/dbraw/zinc/05/89/92/173058992.db2.gz MPJSALHDLSPDMU-IPYPFGDCSA-N 1 0 263.381 3.222 10 0 CGAERO Cc1cccc(NC(=O)C[NH2+][C@H]2CCC[C@@H](C)C2)c1 ZINC000037255464 173066237 /nfs/dbraw/zinc/06/62/37/173066237.db2.gz HWKIWJRFRJHPTQ-OCCSQVGLSA-N 1 0 260.381 3.102 10 0 CGAERO [NH3+][C@@H](c1nc2ccccc2n1C1CC1)c1ccccc1 ZINC000037323714 173124495 /nfs/dbraw/zinc/12/44/95/173124495.db2.gz ZFWMINHSKOIEBY-MRXNPFEDSA-N 1 0 263.344 3.419 10 0 CGAERO Cc1ccc([C@@H](C[NH3+])N2CCc3ccccc3C2)s1 ZINC000037328308 173128592 /nfs/dbraw/zinc/12/85/92/173128592.db2.gz PGSWVBLNVSQGST-OAHLLOKOSA-N 1 0 272.417 3.115 10 0 CGAERO CCC(CC)[N@H+](C)CC(=O)c1cc(C)n(CC)c1C ZINC000037339195 173140022 /nfs/dbraw/zinc/14/00/22/173140022.db2.gz DNAIPILUJFOSNY-UHFFFAOYSA-N 1 0 264.413 3.428 10 0 CGAERO COC(=O)CCC[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000037415932 173192427 /nfs/dbraw/zinc/19/24/27/173192427.db2.gz VGUIFLHBKBERFD-SECBINFHSA-N 1 0 273.735 3.083 10 0 CGAERO Fc1ccc2c(c1)nc([C@@H]1CCCC[NH2+]1)n2C1CC1 ZINC000037439888 173209237 /nfs/dbraw/zinc/20/92/37/173209237.db2.gz ZUDCQDNOXNKKGL-LBPRGKRZSA-N 1 0 259.328 3.325 10 0 CGAERO Cn1c2ccc(Cl)cc2nc1[C@H]([NH3+])c1ccccc1 ZINC000037440290 173210053 /nfs/dbraw/zinc/21/00/53/173210053.db2.gz ARHILBCKJSPVSP-CQSZACIVSA-N 1 0 271.751 3.275 10 0 CGAERO CCn1c2ccc(Br)cc2nc1[C@@H]([NH3+])C(C)C ZINC000037441522 173211118 /nfs/dbraw/zinc/21/11/18/173211118.db2.gz QAHGHVHSLQFKJJ-LBPRGKRZSA-N 1 0 296.212 3.475 10 0 CGAERO CC(C)C[C@H]([NH3+])c1nc2cc(Br)ccc2n1C ZINC000037441276 173211549 /nfs/dbraw/zinc/21/15/49/173211549.db2.gz ZDRBOBPKCZPLJH-JTQLQIEISA-N 1 0 296.212 3.382 10 0 CGAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(SC(F)F)cc1 ZINC000037508573 173242705 /nfs/dbraw/zinc/24/27/05/173242705.db2.gz YEFDQIKRKMWTDI-GZMMTYOYSA-N 1 0 288.363 3.313 10 0 CGAERO CC(C)c1ccc(NC(=O)C2CCC([NH3+])CC2)cc1 ZINC000037622981 173576119 /nfs/dbraw/zinc/57/61/19/173576119.db2.gz KLNDRGMIVOIKOS-UHFFFAOYSA-N 1 0 260.381 3.266 10 0 CGAERO COc1cc(CC[NH3+])cc(Cl)c1OCc1cccs1 ZINC000037720140 173638090 /nfs/dbraw/zinc/63/80/90/173638090.db2.gz WXUXXZQFNVHJBV-UHFFFAOYSA-N 1 0 297.807 3.490 10 0 CGAERO Cc1ccccc1COc1ccccc1C[C@@H](C)[NH3+] ZINC000037724262 173642964 /nfs/dbraw/zinc/64/29/64/173642964.db2.gz CHUZVORUSPMCIZ-CQSZACIVSA-N 1 0 255.361 3.464 10 0 CGAERO CCSc1ccccc1NC(=O)C1CCC([NH3+])CC1 ZINC000037768053 173698497 /nfs/dbraw/zinc/69/84/97/173698497.db2.gz ZUOZLRYKSLOZHF-UHFFFAOYSA-N 1 0 278.421 3.255 10 0 CGAERO O[C@@H](C[NH2+]C1CCCCCC1)c1cc(F)ccc1F ZINC000037885809 173822886 /nfs/dbraw/zinc/82/28/86/173822886.db2.gz MLBCDUVOBMCEKH-HNNXBMFYSA-N 1 0 269.335 3.311 10 0 CGAERO O[C@@H]1CCCCC[C@@H]1[NH2+]CCSc1ccccc1 ZINC000037904298 173836123 /nfs/dbraw/zinc/83/61/23/173836123.db2.gz UFOGIEFNEQUDHK-LSDHHAIUSA-N 1 0 265.422 3.062 10 0 CGAERO CC[NH2+][C@@H](C)[C@H](CC)Cc1ccc(OC)c(F)c1 ZINC000038004825 173966575 /nfs/dbraw/zinc/96/65/75/173966575.db2.gz DXENEQQWKRLVMK-WCQYABFASA-N 1 0 253.361 3.401 10 0 CGAERO C[C@H](CNc1ncccc1C(F)(F)F)[NH+]1CCCCC1 ZINC000038029365 174019414 /nfs/dbraw/zinc/01/94/14/174019414.db2.gz PISQPCGUQUNJJW-LLVKDONJSA-N 1 0 287.329 3.387 10 0 CGAERO CCCCC1CCC(C(=O)N[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000038049775 174061209 /nfs/dbraw/zinc/06/12/09/174061209.db2.gz NVVDCMGTPPXRBI-FJBKBRRZSA-N 1 0 280.456 3.369 10 0 CGAERO C[NH2+][C@@H](c1cccs1)c1ccc2c(c1)CCCO2 ZINC000038057871 174068243 /nfs/dbraw/zinc/06/82/43/174068243.db2.gz BVRTYDMWJIQOLZ-OAHLLOKOSA-N 1 0 259.374 3.382 10 0 CGAERO [NH3+]Cc1ccc(F)c(-c2c(F)cc(F)cc2F)c1 ZINC000038072791 174083412 /nfs/dbraw/zinc/08/34/12/174083412.db2.gz WGLIYHGBFBVCTL-UHFFFAOYSA-N 1 0 255.214 3.369 10 0 CGAERO C[C@H](c1ccc(C(C)(C)C)cc1)N1CCC[NH2+]CC1 ZINC000038087004 174098432 /nfs/dbraw/zinc/09/84/32/174098432.db2.gz MSRVMEFHNUJHBI-CQSZACIVSA-N 1 0 260.425 3.340 10 0 CGAERO C[C@@H](c1cccc(Cl)c1)N(C)C(=O)C1([NH3+])CCCC1 ZINC000038101457 174116925 /nfs/dbraw/zinc/11/69/25/174116925.db2.gz DFBCSWUQIALOBL-NSHDSACASA-N 1 0 280.799 3.131 10 0 CGAERO C[C@H](c1cccc(Cl)c1)N(C)C(=O)C1([NH3+])CCCC1 ZINC000038101458 174117072 /nfs/dbraw/zinc/11/70/72/174117072.db2.gz DFBCSWUQIALOBL-LLVKDONJSA-N 1 0 280.799 3.131 10 0 CGAERO O=C(c1ccccc1)c1ccc(C[n+]2ccccc2)cc1 ZINC000038636132 174150804 /nfs/dbraw/zinc/15/08/04/174150804.db2.gz XIQPCYIVJHVUIM-UHFFFAOYSA-N 1 0 274.343 3.253 10 0 CGAERO [NH3+][C@@H](Cn1ccnc1)c1ccc(-c2ccccc2)cc1 ZINC000038808941 174156322 /nfs/dbraw/zinc/15/63/22/174156322.db2.gz PBHNZDOXBGKGOY-KRWDZBQOSA-N 1 0 263.344 3.250 10 0 CGAERO C[C@@H]1CCCN([C@@H](C[NH3+])c2ccccc2Cl)C1 ZINC000038860322 174157973 /nfs/dbraw/zinc/15/79/73/174157973.db2.gz HFCXWGATMMXXMR-RISCZKNCSA-N 1 0 252.789 3.072 10 0 CGAERO C[C@@H]1C[C@H](C)CN([C@H](C[NH3+])c2cccc(Cl)c2)C1 ZINC000039789087 174172926 /nfs/dbraw/zinc/17/29/26/174172926.db2.gz HHYRDJSCEQXFMX-TYNCELHUSA-N 1 0 266.816 3.318 10 0 CGAERO [NH3+]Cc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1 ZINC000040410104 174254405 /nfs/dbraw/zinc/25/44/05/174254405.db2.gz VPHYPIFVJMNVOJ-UHFFFAOYSA-N 1 0 295.264 3.155 10 0 CGAERO CCOc1ccc(-c2nc(C[NH2+]C3CC3)cs2)cc1 ZINC000040415670 174256158 /nfs/dbraw/zinc/25/61/58/174256158.db2.gz DPEPGMYUJPHQEF-UHFFFAOYSA-N 1 0 274.389 3.461 10 0 CGAERO CC(C)Cn1c2ccc(C(F)(F)F)cc2nc1C[NH3+] ZINC000040417736 174256399 /nfs/dbraw/zinc/25/63/99/174256399.db2.gz HBVRIJCKHGHTMW-UHFFFAOYSA-N 1 0 271.286 3.170 10 0 CGAERO CCCCC1CCC(C(=O)N(CCC)CC[NH3+])CC1 ZINC000041160585 174502450 /nfs/dbraw/zinc/50/24/50/174502450.db2.gz CINYMOFYFRPEQD-UHFFFAOYSA-N 1 0 268.445 3.180 10 0 CGAERO Cc1cc(NC[C@H]2CCC[NH2+]C2)ccc1Br ZINC000041440367 174553692 /nfs/dbraw/zinc/55/36/92/174553692.db2.gz DRFRFVKTPKZUDJ-NSHDSACASA-N 1 0 283.213 3.169 10 0 CGAERO CC(C)N(CCCCCCC[NH3+])CC(F)(F)F ZINC000042782064 174877844 /nfs/dbraw/zinc/87/78/44/174877844.db2.gz WRSMSDZMOYSCFL-UHFFFAOYSA-N 1 0 254.340 3.168 10 0 CGAERO C[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)N1CCC(C)CC1 ZINC000042944184 174919421 /nfs/dbraw/zinc/91/94/21/174919421.db2.gz KFAOKZXAAGSRIK-SWLSCSKDSA-N 1 0 266.816 3.460 10 0 CGAERO C[C@@H]([NH3+])[C@@H](c1cccs1)N(C)Cc1ccc(F)cc1 ZINC000043104055 174969806 /nfs/dbraw/zinc/96/98/06/174969806.db2.gz VHJWQCPOSHQOQH-ABAIWWIYSA-N 1 0 278.396 3.408 10 0 CGAERO CC(C)CN(CC[NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000043512076 175060360 /nfs/dbraw/zinc/06/03/60/175060360.db2.gz RKTIPZASEYNVAQ-UHFFFAOYSA-N 1 0 274.330 3.122 10 0 CGAERO C[NH2+][C@H]1CCC[C@@H]1Cc1cc(Br)cs1 ZINC000043688102 175095563 /nfs/dbraw/zinc/09/55/63/175095563.db2.gz YXLFOPADWMJHOT-KCJUWKMLSA-N 1 0 274.227 3.441 10 0 CGAERO CN[C@@H](c1ccccc1)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000043813990 175111773 /nfs/dbraw/zinc/11/17/73/175111773.db2.gz GMYJUBDEMQZTIL-IRXDYDNUSA-N 1 0 260.425 3.458 10 0 CGAERO Cc1ccc(C)c([C@@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000044123395 175143296 /nfs/dbraw/zinc/14/32/96/175143296.db2.gz GBUATBAMEGKRAD-SFHVURJKSA-N 1 0 269.388 3.469 10 0 CGAERO [NH3+]Cc1ccc(Cn2ccnc2-c2cccs2)cc1 ZINC000045047986 175297337 /nfs/dbraw/zinc/29/73/37/175297337.db2.gz RLPOAAXMNIWHJL-UHFFFAOYSA-N 1 0 269.373 3.119 10 0 CGAERO CC[C@@H](C)[NH2+]Cc1nn(C(C)C)nc1-c1ccccc1 ZINC000045944893 175387387 /nfs/dbraw/zinc/38/73/87/175387387.db2.gz QDZWZXLYOMUCCW-CYBMUJFWSA-N 1 0 272.396 3.414 10 0 CGAERO O[C@]12CCCC[C@@H]1C[N@H+](CC1CCCCC1)CC2 ZINC000128502256 287312547 /nfs/dbraw/zinc/31/25/47/287312547.db2.gz LZAKJYHEOAVLFT-CVEARBPZSA-N 1 0 251.414 3.194 10 0 CGAERO COc1ccc(Br)c2c1CC[NH2+][C@@H]2C(C)C ZINC000070821306 176007281 /nfs/dbraw/zinc/00/72/81/176007281.db2.gz CXRJKUQNBCKBED-CYBMUJFWSA-N 1 0 284.197 3.301 10 0 CGAERO Cc1nnc(S[C@H](C[NH2+]C(C)(C)C)C(C)C)s1 ZINC000071137941 176036419 /nfs/dbraw/zinc/03/64/19/176036419.db2.gz XTDXNGVXRMPERY-SNVBAGLBSA-N 1 0 273.471 3.351 10 0 CGAERO COc1ccc(C[C@@](C)([NH3+])c2ccccc2F)cc1 ZINC000071169469 176050477 /nfs/dbraw/zinc/05/04/77/176050477.db2.gz RQLDRNCQMNWIDJ-MRXNPFEDSA-N 1 0 259.324 3.251 10 0 CGAERO C[C@@H](Cc1ccc(F)cc1)NC1=[NH+]C[C@@H](C2CC2)S1 ZINC000071308107 176116287 /nfs/dbraw/zinc/11/62/87/176116287.db2.gz XTRIULMLZHPRIY-HZMBPMFUSA-N 1 0 278.396 3.228 10 0 CGAERO C[N@H+](CCNc1c(N)cccc1Cl)C1CCCC1 ZINC000071376980 176141926 /nfs/dbraw/zinc/14/19/26/176141926.db2.gz FJTVNQXMRWYWMS-UHFFFAOYSA-N 1 0 267.804 3.209 10 0 CGAERO COc1cc(C)c([C@@H](C)OCC[NH3+])cc1C(C)C ZINC000071573565 176200160 /nfs/dbraw/zinc/20/01/60/176200160.db2.gz YYOWRMUKMPVENW-GFCCVEGCSA-N 1 0 251.370 3.163 10 0 CGAERO COc1ccc(/C(=C/CC[NH3+])C(C)C)c(OC)c1C ZINC000071596022 176219091 /nfs/dbraw/zinc/21/90/91/176219091.db2.gz SKKMUEGYUAVOJE-NTUHNPAUSA-N 1 0 263.381 3.400 10 0 CGAERO O=C(C[C@@H]1C=CCC1)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000071886548 176289967 /nfs/dbraw/zinc/28/99/67/176289967.db2.gz YKDKYYRLCZFBOW-IAGOWNOFSA-N 1 0 290.451 3.210 10 0 CGAERO C[C@@]1(c2cc(Br)cs2)CCCC[NH2+]1 ZINC000076323127 176987122 /nfs/dbraw/zinc/98/71/22/176987122.db2.gz STYCRTSKHNCVHS-JTQLQIEISA-N 1 0 260.200 3.499 10 0 CGAERO COc1ccc(C2(C[NH3+])CC3(C2)CCCC3)cc1OC ZINC000076439417 177025032 /nfs/dbraw/zinc/02/50/32/177025032.db2.gz BFLWKJUOPZESPR-UHFFFAOYSA-N 1 0 275.392 3.255 10 0 CGAERO COc1ccc(NC(=O)C2(C[NH3+])CCCCC2)cc1Cl ZINC000076569877 177040281 /nfs/dbraw/zinc/04/02/81/177040281.db2.gz GDQAOECOCDCGSH-UHFFFAOYSA-N 1 0 296.798 3.196 10 0 CGAERO [NH3+]CC[C@@H](COc1ccccc1)c1ccccc1F ZINC000076668566 177052540 /nfs/dbraw/zinc/05/25/40/177052540.db2.gz AGBNXYMVTSIKFW-ZDUSSCGKSA-N 1 0 259.324 3.337 10 0 CGAERO COc1ccccc1CC[C@@H](C[NH3+])c1cccs1 ZINC000076672970 177054908 /nfs/dbraw/zinc/05/49/08/177054908.db2.gz BPYJIOSNEIYDQB-ZDUSSCGKSA-N 1 0 261.390 3.432 10 0 CGAERO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)CCC[NH3+] ZINC000076675902 177055941 /nfs/dbraw/zinc/05/59/41/177055941.db2.gz OSBMUSNQLUQCMG-CYBMUJFWSA-N 1 0 262.397 3.432 10 0 CGAERO Cc1cccc(C)c1NC(=O)[C@H](CCC[NH3+])C(C)C ZINC000076675880 177056037 /nfs/dbraw/zinc/05/60/37/177056037.db2.gz SAAZZJPDUZTYFB-CQSZACIVSA-N 1 0 262.397 3.253 10 0 CGAERO COc1cc(C)c([C@@H](CC[NH3+])C(C)(C)C)cc1OC ZINC000076681797 177058930 /nfs/dbraw/zinc/05/89/30/177058930.db2.gz AFNUQLVVYNXNGH-CYBMUJFWSA-N 1 0 265.397 3.491 10 0 CGAERO CC[NH2+][C@@H](C)c1csc(-c2cccc(OC)c2)n1 ZINC000076784519 177091912 /nfs/dbraw/zinc/09/19/12/177091912.db2.gz RRNDHVVVMTWCGS-JTQLQIEISA-N 1 0 262.378 3.489 10 0 CGAERO C[C@@]1(c2ccccc2Br)CCCC[NH2+]1 ZINC000077607664 177284417 /nfs/dbraw/zinc/28/44/17/177284417.db2.gz LXPKOOCVYHFHRR-LBPRGKRZSA-N 1 0 254.171 3.438 10 0 CGAERO O[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@@H]2C2CCCC2)C1 ZINC000310757432 416531516 /nfs/dbraw/zinc/53/15/16/416531516.db2.gz AEWSAODLHAOCKR-NUEKZKHPSA-N 1 0 251.414 3.192 10 0 CGAERO CC(C)[C@H]1CCC[C@@](C[NH3+])(C(=O)OC(C)(C)C)C1 ZINC000725245570 544112205 /nfs/dbraw/zinc/11/22/05/544112205.db2.gz WAVMMCNQONZORV-SWLSCSKDSA-N 1 0 255.402 3.119 10 0 CGAERO Clc1cc(Cl)cc(-c2cnnn2[C@@H]2CCC[NH2+]C2)c1 ZINC000725266114 544114428 /nfs/dbraw/zinc/11/44/28/544114428.db2.gz NTNKOSIKWDUYJD-GFCCVEGCSA-N 1 0 297.189 3.176 10 0 CGAERO C[C@H](NC(=O)C1([NH3+])CC2(CCC2)C1)c1ccc(Cl)cc1 ZINC000659279312 418971395 /nfs/dbraw/zinc/97/13/95/418971395.db2.gz SUCYLUQVKKHULE-NSHDSACASA-N 1 0 292.810 3.179 10 0 CGAERO OCC1CC([NH2+]C2c3ccccc3-c3ccccc32)C1 ZINC000658356907 418950271 /nfs/dbraw/zinc/95/02/71/418950271.db2.gz QCXWGDIHDIRCQN-UHFFFAOYSA-N 1 0 265.356 3.117 10 0 CGAERO C[C@@H]([NH2+][C@@H]1CCCSCC1)c1cncc(F)c1 ZINC000657969274 419467743 /nfs/dbraw/zinc/46/77/43/419467743.db2.gz LQJYDEANRGYLTC-ZWNOBZJWSA-N 1 0 254.374 3.157 10 0 CGAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[C@H](C)O2)c1C ZINC000658221889 419678086 /nfs/dbraw/zinc/67/80/86/419678086.db2.gz VDSRJTRTPJTJIP-HUBLWGQQSA-N 1 0 279.428 3.128 10 0 CGAERO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1cc2ccccc2s1 ZINC000658238976 419695350 /nfs/dbraw/zinc/69/53/50/419695350.db2.gz KPKRGTBZOXQPRN-RYUDHWBXSA-N 1 0 288.416 3.030 10 0 CGAERO CCC[C@H](C(=O)N[C@@H]1CCc2c1cccc2Cl)[NH+](C)C ZINC000179606055 260057112 /nfs/dbraw/zinc/05/71/12/260057112.db2.gz GXRIDVSCCQBSKD-HUUCEWRRSA-N 1 0 294.826 3.174 10 0 CGAERO O[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCCC12CCCCC2 ZINC000313052801 260242050 /nfs/dbraw/zinc/24/20/50/260242050.db2.gz UVEZWVBZFGQFRQ-RBSFLKMASA-N 1 0 251.414 3.240 10 0 CGAERO CC(C)[NH2+]CCN(C)CCc1cccc2ccccc21 ZINC000228264954 261897061 /nfs/dbraw/zinc/89/70/61/261897061.db2.gz GICVPOBYCGPIQQ-UHFFFAOYSA-N 1 0 270.420 3.312 10 0 CGAERO C[C@H]([NH2+]CC(=O)N[C@H]1CCCC[C@H]1C)c1cccs1 ZINC000007581230 270026107 /nfs/dbraw/zinc/02/61/07/270026107.db2.gz PFDUWCWRGHOODI-AGIUHOORSA-N 1 0 280.437 3.094 10 0 CGAERO COc1ccccc1[C@H](C)[NH2+][C@H](CC(C)C)CN(C)C ZINC000037166888 270028832 /nfs/dbraw/zinc/02/88/32/270028832.db2.gz KLWVUUYMJSKKPR-LSDHHAIUSA-N 1 0 278.440 3.322 10 0 CGAERO CCCCC[NH2+][C@@H]1CCN(CCc2ccccc2)C1 ZINC000040671130 270029707 /nfs/dbraw/zinc/02/97/07/270029707.db2.gz WVXFONRKOCCEOL-QGZVFWFLSA-N 1 0 260.425 3.083 10 0 CGAERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)N1CCCCCC1 ZINC000042302629 270031953 /nfs/dbraw/zinc/03/19/53/270031953.db2.gz AFVDVUHASZVYDI-JKSUJKDBSA-N 1 0 288.435 3.437 10 0 CGAERO CCSc1cccc(C[NH2+]C[C@H]2CCCC[C@H]2O)c1 ZINC000185550889 270063514 /nfs/dbraw/zinc/06/35/14/270063514.db2.gz DJPQZKNPPHZQBQ-GDBMZVCRSA-N 1 0 279.449 3.439 10 0 CGAERO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCCN2C)cc1C ZINC000222705041 270086394 /nfs/dbraw/zinc/08/63/94/270086394.db2.gz ACQBPWMTZDRQNT-HOTGVXAUSA-N 1 0 260.425 3.357 10 0 CGAERO CCN1CCC[C@H]([NH2+][C@H](C)CCc2ccc(OC)cc2)C1 ZINC000250224612 270091246 /nfs/dbraw/zinc/09/12/46/270091246.db2.gz FFZWRINQBMBEOM-WBVHZDCISA-N 1 0 290.451 3.090 10 0 CGAERO C[C@@H]([NH3+])Cc1ccc(-c2ccc3c(c2)CCOC3)cc1 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3.219 10 0 CGAERO CCN(CC(CC)(CC)C[NH3+])c1cccc(F)c1 ZINC000051251128 520414706 /nfs/dbraw/zinc/41/47/06/520414706.db2.gz ORGDOUQTYAKCNC-UHFFFAOYSA-N 1 0 252.377 3.417 10 0 CGAERO CCCOc1ccc([C@@H]([NH3+])c2ncccc2C)cc1 ZINC000055264365 520417759 /nfs/dbraw/zinc/41/77/59/520417759.db2.gz AWVBBOJUSZEZCS-OAHLLOKOSA-N 1 0 256.349 3.227 10 0 CGAERO CCC[C@@H]([NH2+]CC(=O)N[C@@H](C)CC)c1cccs1 ZINC000049544795 520772762 /nfs/dbraw/zinc/77/27/62/520772762.db2.gz GQCBWTKUUXHVAZ-NWDGAFQWSA-N 1 0 268.426 3.094 10 0 CGAERO CCCCOCCO[C@@H](C)C[NH2+]C1CCCCC1 ZINC000053569633 520790620 /nfs/dbraw/zinc/79/06/20/520790620.db2.gz MQSCUHUAFLVYPG-AWEZNQCLSA-N 1 0 257.418 3.131 10 0 CGAERO CCCn1c2cc(F)ccc2nc1[C@@H]1CCC[NH2+]C1 ZINC000052124844 521636510 /nfs/dbraw/zinc/63/65/10/521636510.db2.gz RNDBLSZLGBWYOD-LLVKDONJSA-N 1 0 261.344 3.052 10 0 CGAERO CCCN(CCC[NH3+])c1ccccc1C(F)(F)F ZINC000051691975 521653282 /nfs/dbraw/zinc/65/32/82/521653282.db2.gz DENQSEBMHODRIR-UHFFFAOYSA-N 1 0 260.303 3.271 10 0 CGAERO CCCN(CC[NH3+])C(=O)C1CCC(C(C)(C)C)CC1 ZINC000054667607 521660582 /nfs/dbraw/zinc/66/05/82/521660582.db2.gz OKRTZJPIMBIKFY-UHFFFAOYSA-N 1 0 268.445 3.036 10 0 CGAERO CCCN(CC[NH2+]CCc1ccsc1)CC(F)(F)F ZINC000053390621 521661124 /nfs/dbraw/zinc/66/11/24/521661124.db2.gz RXQUPMKPMDROCC-UHFFFAOYSA-N 1 0 294.386 3.155 10 0 CGAERO CCCN(CC[NH2+][C@@H]1CCCC[C@@H]1C)CC1CC1 ZINC000053427422 521661196 /nfs/dbraw/zinc/66/11/96/521661196.db2.gz MNGYSTNNSUSVML-GOEBONIOSA-N 1 0 252.446 3.277 10 0 CGAERO CCC[N@H+](CCc1cccs1)C[C@@H](O)COC(C)(C)C ZINC000184504499 521673497 /nfs/dbraw/zinc/67/34/97/521673497.db2.gz AWRNMDDYGMVPIY-CQSZACIVSA-N 1 0 299.480 3.179 10 0 CGAERO C[NH2+]C1CCN([C@H](C)c2cc(C)sc2C)CC1 ZINC000049508921 521952546 /nfs/dbraw/zinc/95/25/46/521952546.db2.gz HYPUSNDCYQFONO-LLVKDONJSA-N 1 0 252.427 3.110 10 0 CGAERO C[NH2+]C[C@H]1CCN(c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000053013342 522093854 /nfs/dbraw/zinc/09/38/54/522093854.db2.gz XLNUXTVHXOAZEK-SECBINFHSA-N 1 0 292.732 3.405 10 0 CGAERO C[NH2+]Cc1cc(O[C@H]2C[C@H](C)CC(C)(C)C2)ccn1 ZINC000051527083 522113669 /nfs/dbraw/zinc/11/36/69/522113669.db2.gz CHTPHWPOESVXKI-WFASDCNBSA-N 1 0 262.397 3.395 10 0 CGAERO CC[C@H](C[NH2+]C(C)C)N(Cc1cccs1)C1CC1 ZINC000052370636 522192237 /nfs/dbraw/zinc/19/22/37/522192237.db2.gz ZRYYJJKQDIOHBY-CYBMUJFWSA-N 1 0 266.454 3.489 10 0 CGAERO CC[C@H]([NH3+])Cc1nc(-c2cc(F)ccc2F)cs1 ZINC000054184351 522336787 /nfs/dbraw/zinc/33/67/87/522336787.db2.gz AVGOOAGJMDMOEX-VIFPVBQESA-N 1 0 268.332 3.368 10 0 CGAERO C[NH2+][C@@H](C)c1sc(N(C)CCC(C)C)nc1C ZINC000054909246 522341081 /nfs/dbraw/zinc/34/10/81/522341081.db2.gz APQZZKATLNJPOP-JTQLQIEISA-N 1 0 255.431 3.214 10 0 CGAERO C[NH2+][C@@H]1CCN(c2cccc(Cl)c2C)C[C@H]1C ZINC000049711947 522395869 /nfs/dbraw/zinc/39/58/69/522395869.db2.gz KIWPEAAPUWNAPN-ZWNOBZJWSA-N 1 0 252.789 3.083 10 0 CGAERO C[NH2+][C@H](C)c1cc(C)ccc1OCCOC(C)C ZINC000049259130 522443706 /nfs/dbraw/zinc/44/37/06/522443706.db2.gz HTLLRKRDNUTGHK-CYBMUJFWSA-N 1 0 251.370 3.079 10 0 CGAERO 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CN(Cc1cccs1)[C@H](C[NH3+])CCc1ccccc1 ZINC000061624617 523447192 /nfs/dbraw/zinc/44/71/92/523447192.db2.gz FEILYVRMCCPPOR-HNNXBMFYSA-N 1 0 274.433 3.140 10 0 CGAERO CCc1c(C)nn(CC[NH2+]Cc2sccc2C)c1C ZINC000053540903 523714108 /nfs/dbraw/zinc/71/41/08/523714108.db2.gz QLTBDEXNPMBQKL-UHFFFAOYSA-N 1 0 277.437 3.222 10 0 CGAERO COc1ccc(C(C)(C)C)cc1[C@H](CC[NH3+])OC ZINC000049839066 523787185 /nfs/dbraw/zinc/78/71/85/523787185.db2.gz UUSGFUUNGWOAQZ-AWEZNQCLSA-N 1 0 251.370 3.029 10 0 CGAERO CCc1cc(N)c2cc(OC(F)(F)F)ccc2[nH+]1 ZINC000050869776 523790048 /nfs/dbraw/zinc/79/00/48/523790048.db2.gz DZNUZULRPXEBOC-UHFFFAOYSA-N 1 0 256.227 3.278 10 0 CGAERO COCC[NH2+]C[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000054598622 523943183 /nfs/dbraw/zinc/94/31/83/523943183.db2.gz LTAKBOKRBVXMCE-SKDRFNHKSA-N 1 0 274.191 3.333 10 0 CGAERO COCC[NH2+]Cc1ccccc1OCCC(C)(C)C ZINC000062729703 523955661 /nfs/dbraw/zinc/95/56/61/523955661.db2.gz STKLFVYVOLXUQX-UHFFFAOYSA-N 1 0 265.397 3.238 10 0 CGAERO C[C@@H](C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1)C1C[NH2+]C1 ZINC000163935177 524224003 /nfs/dbraw/zinc/22/40/03/524224003.db2.gz OSISHNBPFHUISN-OLZOCXBDSA-N 1 0 288.435 3.017 10 0 CGAERO C[C@@H](C(=O)Nc1cccc(Oc2ccccc2)c1)[C@H](C)[NH3+] ZINC000156842031 524272533 /nfs/dbraw/zinc/27/25/33/524272533.db2.gz IQNCUBHXTORQTE-OLZOCXBDSA-N 1 0 284.359 3.401 10 0 CGAERO C[C@@H](CC(N)=S)[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000062014361 524418593 /nfs/dbraw/zinc/41/85/93/524418593.db2.gz UDOMUDQPMCMERK-UWVGGRQHSA-N 1 0 270.829 3.398 10 0 CGAERO C[C@@H](CCn1cccn1)[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000159196911 524554296 /nfs/dbraw/zinc/55/42/96/524554296.db2.gz XQYDUVJPDZXQBK-SUMWQHHRSA-N 1 0 287.382 3.468 10 0 CGAERO C[C@@H](C[NH2+]C1CC1)CN(Cc1ccsc1)C1CC1 ZINC000052541987 524734095 /nfs/dbraw/zinc/73/40/95/524734095.db2.gz JJLKYYNVPLVBIU-LBPRGKRZSA-N 1 0 264.438 3.101 10 0 CGAERO C[C@@H](C[NH2+]C1CCCC1)OCCc1cccs1 ZINC000053592507 524736191 /nfs/dbraw/zinc/73/61/91/524736191.db2.gz WFLGGRVTTGBQER-LBPRGKRZSA-N 1 0 253.411 3.228 10 0 CGAERO Cc1cc(C[NH2+]Cc2ccc(F)cc2F)c(C)n1C ZINC000052790565 524760554 /nfs/dbraw/zinc/76/05/54/524760554.db2.gz SYLGWWQVUQTHRP-UHFFFAOYSA-N 1 0 264.319 3.210 10 0 CGAERO C[C@H]([NH3+])CCNc1ccccc1Cc1ccccc1 ZINC000051040706 524832100 /nfs/dbraw/zinc/83/21/00/524832100.db2.gz DIJSINCPPVVUDL-AWEZNQCLSA-N 1 0 254.377 3.427 10 0 CGAERO C[C@H]([NH3+])[C@H](SC1CCOCC1)c1ccccc1F ZINC000062054249 524853801 /nfs/dbraw/zinc/85/38/01/524853801.db2.gz APXRGKZBVJTIIC-HZMBPMFUSA-N 1 0 269.385 3.126 10 0 CGAERO Cc1cc(Cl)ccc1NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000055368306 524897796 /nfs/dbraw/zinc/89/77/96/524897796.db2.gz ZXUWPXUCVUBJPN-AWEZNQCLSA-N 1 0 274.751 3.287 10 0 CGAERO Cc1ccc(N2CC(C)(C)[NH2+]C[C@H]2C)cc1Br ZINC000058467627 524935235 /nfs/dbraw/zinc/93/52/35/524935235.db2.gz HWXAQEFOZAGSDM-LLVKDONJSA-N 1 0 297.240 3.334 10 0 CGAERO C[C@H]1OCC[C@@H]1[NH2+]Cc1csc(Cl)c1Cl ZINC000309042136 525038070 /nfs/dbraw/zinc/03/80/70/525038070.db2.gz LVIROOGUTAIGMQ-SVRRBLITSA-N 1 0 266.193 3.322 10 0 CGAERO Cc1ccc(Oc2ccc(C[NH2+]C(C)C)cn2)cn1 ZINC000051522008 525473516 /nfs/dbraw/zinc/47/35/16/525473516.db2.gz LQQZGHYFLYEKCX-UHFFFAOYSA-N 1 0 257.337 3.075 10 0 CGAERO Cc1ccnc(N[C@@H](C)CCCC[NH3+])c1Br ZINC000309486787 525699105 /nfs/dbraw/zinc/69/91/05/525699105.db2.gz YIMMFFNMYGCHJJ-JTQLQIEISA-N 1 0 286.217 3.082 10 0 CGAERO CC(C)CC[C@@H](C)[NH2+]CC(=O)N1CCc2sccc2C1 ZINC000070186139 534914529 /nfs/dbraw/zinc/91/45/29/534914529.db2.gz YGNXZALCLSJLLP-CYBMUJFWSA-N 1 0 294.464 3.047 10 0 CGAERO O[C@H](C[NH2+]C1CC1)c1ccc(-c2ccccc2)cc1 ZINC000055029126 526276163 /nfs/dbraw/zinc/27/61/63/526276163.db2.gz XVHUQRUOWLUKBO-QGZVFWFLSA-N 1 0 253.345 3.139 10 0 CGAERO Fc1ccc(CCC[NH2+]C2CC2)cc1Br ZINC000052949380 526328677 /nfs/dbraw/zinc/32/86/77/526328677.db2.gz PHGCFEBNFAZQMO-UHFFFAOYSA-N 1 0 272.161 3.273 10 0 CGAERO Cc1csc(C[C@H]([NH3+])CCCc2ccccc2)n1 ZINC000055267922 526366958 /nfs/dbraw/zinc/36/69/58/526366958.db2.gz JDOPBRZADNAWJE-CQSZACIVSA-N 1 0 260.406 3.344 10 0 CGAERO c1cn(-c2ccc(C[N@@H+]3CCO[C@@H]4CCCC[C@@H]43)cc2)cn1 ZINC000101545519 526524149 /nfs/dbraw/zinc/52/41/49/526524149.db2.gz ZAILOEDDNDXNST-ZWKOTPCHSA-N 1 0 297.402 3.016 10 0 CGAERO O=C(CC[C@@H]1CCCC[NH2+]1)OCc1ccccc1Cl ZINC000050928619 526548999 /nfs/dbraw/zinc/54/89/99/526548999.db2.gz HYOMAPZSGCDWQY-ZDUSSCGKSA-N 1 0 281.783 3.306 10 0 CGAERO Cc1nc(-c2ccccc2Cl)nc(C)c1[C@H](C)C[NH3+] ZINC000054836960 526605712 /nfs/dbraw/zinc/60/57/12/526605712.db2.gz HJWLOLKWAZGMBK-SECBINFHSA-N 1 0 275.783 3.476 10 0 CGAERO NC(=[NH2+])c1ccc(OCCc2cccs2)c(Cl)c1 ZINC000062794770 526823521 /nfs/dbraw/zinc/82/35/21/526823521.db2.gz LADDGSHZMHPAHP-UHFFFAOYSA-N 1 0 280.780 3.307 10 0 CGAERO Cc1nc(Cc2cccc(Cl)c2)ncc1[C@@H](C)[NH3+] ZINC000054962498 526927710 /nfs/dbraw/zinc/92/77/10/526927710.db2.gz IZJVFURLXBVJPW-SECBINFHSA-N 1 0 261.756 3.049 10 0 CGAERO Clc1ccc(Cl)c(-c2nnc(CC[NH2+]C3CC3)o2)c1 ZINC000050620376 526953032 /nfs/dbraw/zinc/95/30/32/526953032.db2.gz RDEHNJOCNHDRNX-UHFFFAOYSA-N 1 0 298.173 3.338 10 0 CGAERO Clc1ccc2c(c1)nccc2OC[C@H]1CCC[NH2+]C1 ZINC000051883044 526968023 /nfs/dbraw/zinc/96/80/23/526968023.db2.gz ZXQARUOYOYTBDN-NSHDSACASA-N 1 0 276.767 3.267 10 0 CGAERO [NH3+]CCCSCC(=O)Nc1cccc(Cl)c1Cl ZINC000058250092 527182264 /nfs/dbraw/zinc/18/22/64/527182264.db2.gz IQGFQINRDWPYPS-UHFFFAOYSA-N 1 0 293.219 3.014 10 0 CGAERO [NH3+]CC[C@@H](n1cc(-c2ccccc2)cn1)C(F)(F)F ZINC000054961006 527190927 /nfs/dbraw/zinc/19/09/27/527190927.db2.gz XZKLNVWYZGMKQL-GFCCVEGCSA-N 1 0 269.270 3.002 10 0 CGAERO [NH3+]Cc1coc(COc2ccc3c(c2)CCCC3)c1 ZINC000052706843 527263271 /nfs/dbraw/zinc/26/32/71/527263271.db2.gz AIAKZTJYNREYSI-UHFFFAOYSA-N 1 0 257.333 3.196 10 0 CGAERO [NH3+][C@@H](Cc1cccc(C(F)(F)F)c1)C[C@@H]1CCCO1 ZINC000053817680 527335923 /nfs/dbraw/zinc/33/59/23/527335923.db2.gz HEULIWNTRGSWLR-STQMWFEESA-N 1 0 273.298 3.144 10 0 CGAERO [NH3+][C@H](C(=O)Nc1ccccc1C(F)(F)F)c1ccccc1 ZINC000055368170 527383083 /nfs/dbraw/zinc/38/30/83/527383083.db2.gz DPCUWAKLDSOROC-ZDUSSCGKSA-N 1 0 294.276 3.344 10 0 CGAERO Cc1ncn(-c2ccc([C@@H](C)[NH3+])cc2Br)c1C ZINC000061698547 527461209 /nfs/dbraw/zinc/46/12/09/527461209.db2.gz DJWUDHJXRDOGGN-MRVPVSSYSA-N 1 0 294.196 3.271 10 0 CGAERO CC(C)C[C@H]([NH2+]C[C@@H](C)N1CCOCC1)c1cccs1 ZINC000123428770 528571741 /nfs/dbraw/zinc/57/17/41/528571741.db2.gz IOMPFFXWFQNHIZ-CABCVRRESA-N 1 0 296.480 3.146 10 0 CGAERO CC(C)n1nccc1C[NH2+][C@@H]1CCOc2ccccc21 ZINC000369545349 528678810 /nfs/dbraw/zinc/67/88/10/528678810.db2.gz FYOBRJPOMRFAKL-OAHLLOKOSA-N 1 0 271.364 3.077 10 0 CGAERO CC(C)[C@H](C)[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000189001764 528970623 /nfs/dbraw/zinc/97/06/23/528970623.db2.gz WBQRKGXVMNHBMH-ZDUSSCGKSA-N 1 0 275.371 3.205 10 0 CGAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]C[C@@H]1CCCO1 ZINC000156721881 529056536 /nfs/dbraw/zinc/05/65/36/529056536.db2.gz FQOAKNWCFZFXPW-HOCLYGCPSA-N 1 0 259.393 3.469 10 0 CGAERO CC(C)(Cc1ccccc1Cl)[NH2+]Cc1cncnc1 ZINC000105492098 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CCc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](O)C2)s1 ZINC000217776952 572398077 /nfs/dbraw/zinc/39/80/77/572398077.db2.gz SMLZQBHJLFOHQA-QJPTWQEYSA-N 1 0 253.411 3.265 10 0 CGAERO [NH3+][C@H](c1ccccc1)c1ccc(O)c(Br)c1 ZINC000757133762 617761354 /nfs/dbraw/zinc/76/13/54/617761354.db2.gz WJAYVOVBLIUOOD-CYBMUJFWSA-N 1 0 278.149 3.203 10 0 CGAERO CCCOc1ccc([C@H]([NH3+])CF)cc1OCCC ZINC000757134647 617765140 /nfs/dbraw/zinc/76/51/40/617765140.db2.gz OJLSFWGVKKHAOU-GFCCVEGCSA-N 1 0 255.333 3.234 10 0 CGAERO CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000089147074 618132061 /nfs/dbraw/zinc/13/20/61/618132061.db2.gz UXJCCJYJSYFNDA-BFHYXJOUSA-N 1 0 284.444 3.458 10 0 CGAERO CN(Cc1ccccc1Cl)C(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089390818 618133120 /nfs/dbraw/zinc/13/31/20/618133120.db2.gz IBFDLOQZOFWDFM-OCCSQVGLSA-N 1 0 294.826 3.064 10 0 CGAERO CO[C@@H]1C[C@@H]([NH2+][C@H](C)COCc2ccccc2)C12CCC2 ZINC000308333993 618210257 /nfs/dbraw/zinc/21/02/57/618210257.db2.gz ADKAQXGTUOOGHQ-DJIMGWMZSA-N 1 0 289.419 3.139 10 0 CGAERO CCC[C@H](C(=O)Nc1ccc(C(C)C)cc1)[NH+](C)C ZINC000161166847 618597479 /nfs/dbraw/zinc/59/74/79/618597479.db2.gz BRAGZBVJLOZDMS-OAHLLOKOSA-N 1 0 262.397 3.479 10 0 CGAERO c1cc(C[N@@H+]2CC[C@@H](c3nc(-c4ccccc4)no3)C2)co1 ZINC000075874274 618758405 /nfs/dbraw/zinc/75/84/05/618758405.db2.gz HBDVMAGCIZABSW-OAHLLOKOSA-N 1 0 295.342 3.319 10 0 CGAERO CCC[C@@H]1C[C@H]1[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000309891084 619022184 /nfs/dbraw/zinc/02/21/84/619022184.db2.gz BMRRKYQAAIUWTG-VXGBXAGGSA-N 1 0 270.417 3.068 10 0 CGAERO CCON1CCC([NH2+][C@H](C)c2ccc(C)cc2C)CC1 ZINC000323210485 620534260 /nfs/dbraw/zinc/53/42/60/620534260.db2.gz WHWNULMATLHVFE-OAHLLOKOSA-N 1 0 276.424 3.370 10 0 CGAERO CC[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)c1nccs1 ZINC000080280051 620540727 /nfs/dbraw/zinc/54/07/27/620540727.db2.gz CSFGKFXZDWINBQ-HIFRSBDPSA-N 1 0 276.405 3.092 10 0 CGAERO CCn1nc(C)c([C@H](C)[NH2+][C@H]2CC[C@@H](SC)C2)c1C ZINC000225523070 622917768 /nfs/dbraw/zinc/91/77/68/622917768.db2.gz BAEDFGLHUKTDJU-LEWSCRJBSA-N 1 0 281.469 3.455 10 0 CGAERO CC(C)c1ccc(NC(=O)CN2CCS[C@H](C)C2)cc1 ZINC000171702836 623184269 /nfs/dbraw/zinc/18/42/69/623184269.db2.gz QDWGONACVXSNSL-CYBMUJFWSA-N 1 0 292.448 3.186 10 0 CGAERO C/C=C(/C)C[N@@H+]1CCc2nc(-c3ccc(OC)cc3)[nH]c2C1 ZINC000230005470 623184338 /nfs/dbraw/zinc/18/43/38/623184338.db2.gz JNWPJKMCEYEKIA-PQMHYQBVSA-N 1 0 297.402 3.410 10 0 CGAERO CCC1CCC(c2noc([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000087933549 623322482 /nfs/dbraw/zinc/32/24/82/623322482.db2.gz VFCHZNXJPXQKFN-WXRRBKDZSA-N 1 0 263.385 3.220 10 0 CGAERO CCC1CCC(c2noc([C@@H](C)[C@H](C)[NH3+])n2)CC1 ZINC000087939394 623326575 /nfs/dbraw/zinc/32/65/75/623326575.db2.gz FPJUWVZKUAXYGP-JYBOHDQNSA-N 1 0 251.374 3.204 10 0 CGAERO Cc1cnc([C@@H](C)[NH2+][C@H](C)Cc2cccc(F)c2)o1 ZINC000231901053 623349144 /nfs/dbraw/zinc/34/91/44/623349144.db2.gz UKCKHHAHOGOPII-ZYHUDNBSSA-N 1 0 262.328 3.404 10 0 CGAERO [NH3+]C[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc(Cl)c1 ZINC000089386406 623738617 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Cc1ccccc1OCC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128491564 636022246 /nfs/dbraw/zinc/02/22/46/636022246.db2.gz ACDSSIIFMBMNGE-SJLPKXTDSA-N 1 0 289.419 3.001 10 0 CGAERO Cc1ccc(OCC[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000128545778 636031562 /nfs/dbraw/zinc/03/15/62/636031562.db2.gz COMNMILBYGYGDG-SJLPKXTDSA-N 1 0 289.419 3.001 10 0 CGAERO Cc1cnn([C@@H]2CCC[N@H+](CCc3cccs3)C2)c1 ZINC000105901756 636035783 /nfs/dbraw/zinc/03/57/83/636035783.db2.gz HUKBMMAWRMQUPZ-CQSZACIVSA-N 1 0 275.421 3.133 10 0 CGAERO C[C@H](CC[NH2+][C@H]1CCCC[C@@H]1C)NC(=O)OC(C)(C)C ZINC000221976270 637771179 /nfs/dbraw/zinc/77/11/79/637771179.db2.gz KZPIGNRRSGTDMA-MJBXVCDLSA-N 1 0 284.444 3.458 10 0 CGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000300358312 637832782 /nfs/dbraw/zinc/83/27/82/637832782.db2.gz FNCLQKNDIJEVJV-RDBSUJKOSA-N 1 0 282.428 3.164 10 0 CGAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000300593737 637846241 /nfs/dbraw/zinc/84/62/41/637846241.db2.gz ZFJHZNGUFMSSLU-SWHYSGLUSA-N 1 0 298.224 3.261 10 0 CGAERO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(F)nc2)C12CCCC2 ZINC000189386226 640189784 /nfs/dbraw/zinc/18/97/84/640189784.db2.gz XOWUYDIFNKOWQY-GJZGRUSLSA-N 1 0 292.398 3.390 10 0 CGAERO CCC1CCC(c2noc([C@@]3(C)CC[NH2+]C3)n2)CC1 ZINC000087933388 640613100 /nfs/dbraw/zinc/61/31/00/640613100.db2.gz MTNBHWMDCRLWRQ-QOZQQMKHSA-N 1 0 263.385 3.004 10 0 CGAERO FC(F)(F)c1cccc(Cc2noc([C@@H]3CCC[NH2+]3)n2)c1 ZINC000088713759 640622201 /nfs/dbraw/zinc/62/22/01/640622201.db2.gz GQGPGOAQICMXME-NSHDSACASA-N 1 0 297.280 3.104 10 0 CGAERO [NH3+]C[C@H]1CCCC[C@@H]1c1nc(-c2cccs2)no1 ZINC000089383346 640642174 /nfs/dbraw/zinc/64/21/74/640642174.db2.gz NUPCYBLZIFIMQX-ZJUUUORDSA-N 1 0 263.366 3.031 10 0 CGAERO Cc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C[NH3+])c(Cl)c1 ZINC000089387334 640644311 /nfs/dbraw/zinc/64/43/11/640644311.db2.gz ISZGBMAFEVSMCF-VXGBXAGGSA-N 1 0 280.799 3.352 10 0 CGAERO [NH3+]C[C@H]1CCC[C@@H]1c1nc(Cc2cccc(Cl)c2)no1 ZINC000089430782 640646053 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/nfs/dbraw/zinc/12/50/27/185125027.db2.gz DMOGDBGCHWYZTP-OAHLLOKOSA-N 1 0 265.422 3.364 10 0 CGAERO O[C@H]1CCC[C@H]([NH2+]Cc2ccsc2C(F)(F)F)C1 ZINC000623373876 349792307 /nfs/dbraw/zinc/79/23/07/349792307.db2.gz OZAQUHICVPPCTJ-UWVGGRQHSA-N 1 0 279.327 3.160 10 0 CGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000623402601 349799553 /nfs/dbraw/zinc/79/95/53/349799553.db2.gz QGBWTXJEKFRTRH-MUWHJKNJSA-N 1 0 276.124 3.225 10 0 CGAERO O[C@H]1CCCC[C@H]1[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623418534 349803507 /nfs/dbraw/zinc/80/35/07/349803507.db2.gz UQOYDZVNYOJVPS-ZJUUUORDSA-N 1 0 279.327 3.160 10 0 CGAERO CC(C)OP(=O)(OC(C)C)[C@]1(C)CCC[N+]1=O ZINC000033800968 344936536 /nfs/dbraw/zinc/93/65/36/344936536.db2.gz JQERKXDWSAKBRU-LLVKDONJSA-N 1 0 263.274 3.121 10 0 CGAERO CCC[NH+](CCC)[C@H]1COc2c(cccc2OC)C1 ZINC000034189681 344937642 /nfs/dbraw/zinc/93/76/42/344937642.db2.gz OFIOYUDTGQMDME-CQSZACIVSA-N 1 0 263.381 3.121 10 0 CGAERO c1ccc(C(CCN2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000038601723 344956250 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C[C@H]([NH2+]C[C@H](O)COCc1cccs1)c1cccs1 ZINC000037890085 369122547 /nfs/dbraw/zinc/12/25/47/369122547.db2.gz PJXNBBAMZBPKLL-RYUDHWBXSA-N 1 0 297.445 3.038 10 0 CGAERO CCc1ncc(CN[C@@H](C[NH+](C)C)c2ccccc2)s1 ZINC000037923878 369125378 /nfs/dbraw/zinc/12/53/78/369125378.db2.gz UOUSXKSLXQVXKS-HNNXBMFYSA-N 1 0 289.448 3.098 10 0 CGAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@H](C)CC)cc1 ZINC000037980693 369131182 /nfs/dbraw/zinc/13/11/82/369131182.db2.gz DCHDMVAIQODULS-IHRRRGAJSA-N 1 0 276.424 3.203 10 0 CGAERO CCN1CCC[C@@H]([NH2+][C@@H](C)CCc2ccccc2)C1 ZINC000040502148 369157980 /nfs/dbraw/zinc/15/79/80/369157980.db2.gz RUYVLVYQNICUNO-DOTOQJQBSA-N 1 0 260.425 3.082 10 0 CGAERO CC[C@@H]([NH2+][C@@H]1CCCN(CC)C1)c1cccs1 ZINC000040502528 369158263 /nfs/dbraw/zinc/15/82/63/369158263.db2.gz NBFHJFGXQTWPGZ-CHWSQXEVSA-N 1 0 252.427 3.273 10 0 CGAERO [NH3+][C@@H]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000042397795 369219840 /nfs/dbraw/zinc/21/98/40/369219840.db2.gz BMQARNAPCSZNJB-CMPLNLGQSA-N 1 0 254.171 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VQCMVFYIPXCDLZ-OAHLLOKOSA-N 1 0 290.407 3.035 10 0 CGAERO CC(C)[NH2+]CC[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000095088475 370172467 /nfs/dbraw/zinc/17/24/67/370172467.db2.gz ZDNIMWAGZWDSJR-HNNXBMFYSA-N 1 0 290.407 3.033 10 0 CGAERO Brc1ccc(OCCC[C@H]2CCC[NH2+]C2)nc1 ZINC000095092366 370175086 /nfs/dbraw/zinc/17/50/86/370175086.db2.gz MBWFYIAYKQKASY-LLVKDONJSA-N 1 0 299.212 3.003 10 0 CGAERO COc1cc2c(cc1OC)-c1ccccc1CC[N@H+](C)C2 ZINC000095496275 370200285 /nfs/dbraw/zinc/20/02/85/370200285.db2.gz GETRAQVOIHRJTE-UHFFFAOYSA-N 1 0 283.371 3.359 10 0 CGAERO CCC[C@@H](C)[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000102680609 370307487 /nfs/dbraw/zinc/30/74/87/370307487.db2.gz QAFQJXPUBHMISW-SNVBAGLBSA-N 1 0 251.761 3.266 10 0 CGAERO CCCCC[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000117880435 370600760 /nfs/dbraw/zinc/60/07/60/370600760.db2.gz KILMKKXTCYKSAF-HNNXBMFYSA-N 1 0 296.480 3.243 10 0 CGAERO COCCCC[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000117876223 370600921 /nfs/dbraw/zinc/60/09/21/370600921.db2.gz DGRHELJJQHUIHK-CYBMUJFWSA-N 1 0 268.426 3.058 10 0 CGAERO C[C@@H](C[NH+]1CCC(c2ccnn2C)CC1)c1ccccc1 ZINC000116878221 370572037 /nfs/dbraw/zinc/57/20/37/370572037.db2.gz XMZQLVSCJIFQTM-HNNXBMFYSA-N 1 0 283.419 3.403 10 0 CGAERO CCn1cnnc1C1CC[NH+](C[C@H](C)c2ccccc2)CC1 ZINC000116878962 370572489 /nfs/dbraw/zinc/57/24/89/370572489.db2.gz SXSPCADGLODIPF-HNNXBMFYSA-N 1 0 298.434 3.281 10 0 CGAERO Cn1ncc(Cl)c1C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000130420280 371031895 /nfs/dbraw/zinc/03/18/95/371031895.db2.gz HGAGORBOGTVJFO-BDAKNGLRSA-N 1 0 295.736 3.284 10 0 CGAERO CCc1ccc([C@@H]2CCCC[N@@H+]2CCn2ccnc2)o1 ZINC000131460171 371109418 /nfs/dbraw/zinc/10/94/18/371109418.db2.gz LCWCZAQNOLTOQV-HNNXBMFYSA-N 1 0 273.380 3.266 10 0 CGAERO CC[C@H]([NH2+][C@@H]1CCCN(CC)C1)c1ccc(F)cc1F ZINC000133037640 371222042 /nfs/dbraw/zinc/22/20/42/371222042.db2.gz MARAGJRWUWNORV-CJNGLKHVSA-N 1 0 282.378 3.490 10 0 CGAERO C[C@H]1OCC[C@@H]1[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000134242532 371315340 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CC(C)N(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000151981504 371660514 /nfs/dbraw/zinc/66/05/14/371660514.db2.gz YOKWBNNLAXNPFT-JKSUJKDBSA-N 1 0 280.456 3.001 10 0 CGAERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1N(C)C)[C@@H]1CCCO1 ZINC000152913780 371734207 /nfs/dbraw/zinc/73/42/07/371734207.db2.gz PXJKJDOUWJNVHR-OZVIIMIRSA-N 1 0 280.387 3.110 10 0 CGAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(F)cc1 ZINC000153984874 371808964 /nfs/dbraw/zinc/80/89/64/371808964.db2.gz AGAWAFORNMJVFR-OAHLLOKOSA-N 1 0 293.386 3.068 10 0 CGAERO CC(C)c1nnc(N2CCC([N@@H+]3CCC[C@H]3C)CC2)s1 ZINC000154945133 371890478 /nfs/dbraw/zinc/89/04/78/371890478.db2.gz ILUGYFCTRJYFLR-GFCCVEGCSA-N 1 0 294.468 3.115 10 0 CGAERO CC[C@H](CCO)[NH2+][C@@H]1CCCOc2c(C)cc(C)cc21 ZINC000159192350 372113736 /nfs/dbraw/zinc/11/37/36/372113736.db2.gz CYWHADDIZQTJAP-GDBMZVCRSA-N 1 0 277.408 3.268 10 0 CGAERO CCN1CCC[C@H]([NH2+][C@@H]2CCSc3c(F)cccc32)C1 ZINC000040502885 541866427 /nfs/dbraw/zinc/86/64/27/541866427.db2.gz GGZVJRACKYFOTF-SWLSCSKDSA-N 1 0 294.439 3.437 10 0 CGAERO COCCOc1ccc([C@H](C)[NH2+][C@@H](C)C(C)C)cc1OC ZINC000159044246 372102299 /nfs/dbraw/zinc/10/22/99/372102299.db2.gz LRHDWNUMOIZVIR-KBPBESRZSA-N 1 0 295.423 3.416 10 0 CGAERO COc1c(C[N@@H+]2CCC[C@H]2c2cccs2)c(C)nn1C ZINC000162701163 372411667 /nfs/dbraw/zinc/41/16/67/372411667.db2.gz APBCYHMYGFEKMN-ZDUSSCGKSA-N 1 0 291.420 3.136 10 0 CGAERO C[C@@H]([NH3+])C[C@@H](C)Nc1ncc(Cl)cc1Br ZINC000162903026 372433044 /nfs/dbraw/zinc/43/30/44/372433044.db2.gz HNZZPJCERHVNNM-RNFRBKRXSA-N 1 0 292.608 3.035 10 0 CGAERO c1ccc([C@@H]2CSCCN2CCC[NH+]2CCCC2)cc1 ZINC000163029840 372442543 /nfs/dbraw/zinc/44/25/43/372442543.db2.gz MYVCVEUDKYKYRJ-KRWDZBQOSA-N 1 0 290.476 3.262 10 0 CGAERO Cc1cc(C)cc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000164475632 372519806 /nfs/dbraw/zinc/51/98/06/372519806.db2.gz WVXHDERBELEBDE-HOCLYGCPSA-N 1 0 289.423 3.154 10 0 CGAERO O=C(Nc1csc2ccccc12)N[C@H]1CCCC[NH2+]C1 ZINC000333167017 205087036 /nfs/dbraw/zinc/08/70/36/205087036.db2.gz MXSGYIPFPRDGCR-NSHDSACASA-N 1 0 289.404 3.165 10 0 CGAERO C[C@H]1C[N@H+](CCCOc2ccc(F)cc2)CCS1 ZINC000171697083 372812753 /nfs/dbraw/zinc/81/27/53/372812753.db2.gz GUKNLJUCMLEQAC-LBPRGKRZSA-N 1 0 269.385 3.032 10 0 CGAERO Cn1cc([C@@H]2CC[N@H+](Cc3nc4ccccc4s3)C2)cn1 ZINC000172058425 372893708 /nfs/dbraw/zinc/89/37/08/372893708.db2.gz IBHFVEDOPOCACL-GFCCVEGCSA-N 1 0 298.415 3.019 10 0 CGAERO c1cc(C2CC[NH+](Cc3ccc4c(c3)CCC4)CC2)n[nH]1 ZINC000172288863 372935386 /nfs/dbraw/zinc/93/53/86/372935386.db2.gz KNXKJOLXOQDZOR-UHFFFAOYSA-N 1 0 281.403 3.278 10 0 CGAERO CC[C@H](N[C@@H](C)c1nnc2n1CCCC2)c1ccccc1 ZINC000173621461 373166739 /nfs/dbraw/zinc/16/67/39/373166739.db2.gz DMTPOJCJDJDRRF-ZFWWWQNUSA-N 1 0 284.407 3.416 10 0 CGAERO c1sc(N2CC[N@@H+]3CCC[C@@H]3C2)nc1-c1ccccc1 ZINC000176709155 373626473 /nfs/dbraw/zinc/62/64/73/373626473.db2.gz VCUGAUQYXJKTAP-CQSZACIVSA-N 1 0 285.416 3.095 10 0 CGAERO c1ccc2c(c1)OC1(CCCC1)C[C@@H]2[NH2+][C@@H]1CCOC1 ZINC000178456305 373780591 /nfs/dbraw/zinc/78/05/91/373780591.db2.gz JCNFXCNWBPYXRA-HIFRSBDPSA-N 1 0 273.376 3.202 10 0 CGAERO COc1cc(N[C@@H]2CCC[N@@H+](C3CCC3)C2)cc(OC)c1 ZINC000179581956 373891456 /nfs/dbraw/zinc/89/14/56/373891456.db2.gz GQTBNKPNPWQKBR-CYBMUJFWSA-N 1 0 290.407 3.133 10 0 CGAERO O=C1Nc2ccccc2[C@@H]1CC[NH2+][C@H]1CCc2ccccc21 ZINC000180384542 373997358 /nfs/dbraw/zinc/99/73/58/373997358.db2.gz ORZAQELTCPXSCY-IRXDYDNUSA-N 1 0 292.382 3.390 10 0 CGAERO C[C@H]([NH2+]CC[C@H]1c2ccccc2NC1=O)C1CCCC1 ZINC000180387959 373997408 /nfs/dbraw/zinc/99/74/08/373997408.db2.gz OCHGOPULJXZWGH-WFASDCNBSA-N 1 0 272.392 3.281 10 0 CGAERO Cc1cnn(CC[NH2+][C@@H]2c3cc(C)ccc3C[C@@H]2C)c1 ZINC000180801410 374048820 /nfs/dbraw/zinc/04/88/20/374048820.db2.gz YHGCTPVOGCTTPY-YOEHRIQHSA-N 1 0 269.392 3.023 10 0 CGAERO C[C@H]1C[NH+]=C(SCc2ccc(Br)s2)N1 ZINC000306880366 374139992 /nfs/dbraw/zinc/13/99/92/374139992.db2.gz KQIFFNCFKOXDGQ-LURJTMIESA-N 1 0 291.239 3.092 10 0 CGAERO 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266.816 3.471 10 0 CGAERO CC(C)[C@H]1CN(c2c(F)cccc2Cl)[C@H](C)C[NH2+]1 ZINC000083518063 135026667 /nfs/dbraw/zinc/02/66/67/135026667.db2.gz XDLSZNPVBRSPEI-ZWNOBZJWSA-N 1 0 270.779 3.302 10 0 CGAERO C[C@@H]1C[NH2+][C@@H](C)CN1c1ccc2c(c1)Cc1ccccc1-2 ZINC000083587282 135030086 /nfs/dbraw/zinc/03/00/86/135030086.db2.gz DDLGHKSTRMHOSP-UONOGXRCSA-N 1 0 278.399 3.444 10 0 CGAERO Cc1cccc(NC(=[NH2+])NCc2ccccc2)c1F ZINC000306554294 397678275 /nfs/dbraw/zinc/67/82/75/397678275.db2.gz BKBISSBGRSMBHD-UHFFFAOYSA-N 1 0 257.312 3.271 10 0 CGAERO C[C@@H]([NH3+])[C@@H](C)Nc1ccc(Br)c(Cl)c1 ZINC000307479710 397680720 /nfs/dbraw/zinc/68/07/20/397680720.db2.gz GBBLXVRKVLSIMI-RNFRBKRXSA-N 1 0 277.593 3.250 10 0 CGAERO C[C@H](NC[C@@H]1CCC[N@@H+]1C)c1c(F)cccc1Cl ZINC000386398522 397689333 /nfs/dbraw/zinc/68/93/33/397689333.db2.gz WKIAMZANXNKAQO-QWRGUYRKSA-N 1 0 270.779 3.224 10 0 CGAERO Cc1ccc(N2CCC[C@H]([NH2+][C@H](C)c3cnccn3)C2)cc1 ZINC000247048373 292134040 /nfs/dbraw/zinc/13/40/40/292134040.db2.gz MBADSFDUBSQPKL-CVEARBPZSA-N 1 0 296.418 3.105 10 0 CGAERO C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000037782281 286887379 /nfs/dbraw/zinc/88/73/79/286887379.db2.gz BVEMQQGJXBUFPE-QLFBSQMISA-N 1 0 280.456 3.192 10 0 CGAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2cccc(Cl)c2)C1 ZINC000040502354 286891524 /nfs/dbraw/zinc/89/15/24/286891524.db2.gz LFHXZKNMHQIPDR-SWLSCSKDSA-N 1 0 266.816 3.475 10 0 CGAERO CCCCCc1ccc(NC(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC000042171284 286892067 /nfs/dbraw/zinc/89/20/67/286892067.db2.gz FKMXDJRBVPVEFH-MRXNPFEDSA-N 1 0 274.408 3.500 10 0 CGAERO Cc1ccc(CCC(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1 ZINC000077729916 287042220 /nfs/dbraw/zinc/04/22/20/287042220.db2.gz VOWHVLQOHRPCCJ-QGZVFWFLSA-N 1 0 290.451 3.020 10 0 CGAERO CCn1ccnc1C[N@@H+]1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000076390108 165109016 /nfs/dbraw/zinc/10/90/16/165109016.db2.gz FLZJOIKTTCDNAD-HOCLYGCPSA-N 1 0 299.418 3.290 10 0 CGAERO COc1ccc([C@@H]2C[C@@H](C)[N@H+](C[C@@H]3CCCO3)C2)cc1 ZINC000076394153 165113464 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Fc1cc(F)cc(C[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000090473581 165236790 /nfs/dbraw/zinc/23/67/90/165236790.db2.gz ZYHXXOCJPGAGEW-UHFFFAOYSA-N 1 0 291.345 3.074 10 0 CGAERO CCn1cccc1C[NH2+][C@H](C)c1ccccc1OC ZINC000091022717 165250789 /nfs/dbraw/zinc/25/07/89/165250789.db2.gz ONNXUQBLHSANAG-CYBMUJFWSA-N 1 0 258.365 3.367 10 0 CGAERO CCn1cccc1CNc1ccc(OCC[NH+](C)C)cc1 ZINC000091025547 165255775 /nfs/dbraw/zinc/25/57/75/165255775.db2.gz MUZOHMTVJHZQCB-UHFFFAOYSA-N 1 0 287.407 3.061 10 0 CGAERO CN1CCO[C@H](C[NH2+][C@H](CC(C)(C)C)c2ccccc2)C1 ZINC000091667771 165263242 /nfs/dbraw/zinc/26/32/42/165263242.db2.gz MNZPFTHYMNNCHM-IAGOWNOFSA-N 1 0 290.451 3.084 10 0 CGAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCc2c1cccc2Br ZINC000091320200 287107619 /nfs/dbraw/zinc/10/76/19/287107619.db2.gz KHIWZLZUWPEUBZ-WQHBLYJGSA-N 1 0 266.182 3.434 10 0 CGAERO CC(C)[C@@H]([NH2+]C[C@@]1(O)CCSC1)c1ccccc1Cl ZINC000091366830 287107763 /nfs/dbraw/zinc/10/77/63/287107763.db2.gz FMCAHZDOEHVIPY-CABCVRRESA-N 1 0 299.867 3.495 10 0 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0 271.470 3.144 10 0 CGAERO CCC[C@H](C(=O)Nc1ccc(CC)c(F)c1)[NH+](C)C ZINC000120610490 287184550 /nfs/dbraw/zinc/18/45/50/287184550.db2.gz TUTXHAQBGWYFBD-CQSZACIVSA-N 1 0 266.360 3.057 10 0 CGAERO CSc1ccc(-c2csc(CC[NH3+])n2)cc1 ZINC000003708217 169908593 /nfs/dbraw/zinc/90/85/93/169908593.db2.gz CXTFOUXKJGCKTR-UHFFFAOYSA-N 1 0 250.392 3.033 10 0 CGAERO C[NH2+]Cc1nc(-c2ccc(Br)cc2)cs1 ZINC000003710568 169909050 /nfs/dbraw/zinc/90/90/50/169909050.db2.gz NXAXMZYJVMTYTR-UHFFFAOYSA-N 1 0 283.194 3.292 10 0 CGAERO [NH3+][C@H](CCc1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000005515947 170106973 /nfs/dbraw/zinc/10/69/73/170106973.db2.gz IUYKGYPULKYTPP-MRXNPFEDSA-N 1 0 283.371 3.481 10 0 CGAERO COc1ccc2c(ccc[n+]2Cc2ccccc2)c1 ZINC000006018907 170169273 /nfs/dbraw/zinc/16/92/73/170169273.db2.gz VMEIRNBRMXRIIJ-UHFFFAOYSA-N 1 0 250.321 3.184 10 0 CGAERO Clc1ccc(Cn2ccnc2C[NH2+]C2CC2)cc1Cl ZINC000006687928 170226521 /nfs/dbraw/zinc/22/65/21/170226521.db2.gz NWBHDDRATYIYLV-UHFFFAOYSA-N 1 0 296.201 3.490 10 0 CGAERO CCOc1cccc(C[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000011600066 170425417 /nfs/dbraw/zinc/42/54/17/170425417.db2.gz ROUOJVSNMZFPCS-INIZCTEOSA-N 1 0 255.361 3.198 10 0 CGAERO C[n+]1cccc(/C=C2\c3ccccc3-c3ncccc32)c1 ZINC000012880526 170516642 /nfs/dbraw/zinc/51/66/42/170516642.db2.gz MXWWMNMDDHDEHQ-LDADJPATSA-N 1 0 271.343 3.475 10 0 CGAERO CC(C)OCCOC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000019401542 170785387 /nfs/dbraw/zinc/78/53/87/170785387.db2.gz DEFHXMMDJVEOQP-MRXNPFEDSA-N 1 0 265.397 3.251 10 0 CGAERO C[C@@H]1CC[C@H](C(=O)Nc2cccc3ccccc32)C[NH2+]1 ZINC000019483279 170810657 /nfs/dbraw/zinc/81/06/57/170810657.db2.gz CEIYYYVPGYQGSI-OCCSQVGLSA-N 1 0 268.360 3.166 10 0 CGAERO CC[C@@H](C(=O)N(C)CC[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000019843796 170892375 /nfs/dbraw/zinc/89/23/75/170892375.db2.gz ABQHOHBRZZWYFQ-IAGOWNOFSA-N 1 0 288.435 3.171 10 0 CGAERO CC(C)[C@H](CN[C@@H](C)c1ccccc1F)[NH+](C)C ZINC000020145640 171030961 /nfs/dbraw/zinc/03/09/61/171030961.db2.gz KPTWNEKVLSDALK-WFASDCNBSA-N 1 0 252.377 3.063 10 0 CGAERO CC(C)[C@@H](CNCc1cc2ccccc2o1)[NH+](C)C ZINC000020145911 171031690 /nfs/dbraw/zinc/03/16/90/171031690.db2.gz BMEYQYJJYWKESS-OAHLLOKOSA-N 1 0 260.381 3.109 10 0 CGAERO CCCC[C@H]([NH2+][C@@H](CC)CO)c1ccc(F)cc1 ZINC000020196055 171061430 /nfs/dbraw/zinc/06/14/30/171061430.db2.gz LOYOCTFJVRJSFN-GJZGRUSLSA-N 1 0 253.361 3.418 10 0 CGAERO Cc1cccc([C@H](C[NH3+])N(C)Cc2ccccc2C)c1 ZINC000020225484 171089039 /nfs/dbraw/zinc/08/90/39/171089039.db2.gz OJGKNVFRQXDVJS-SFHVURJKSA-N 1 0 268.404 3.435 10 0 CGAERO Cc1cccc(O[C@H]2CCc3ccccc3[C@@H]2[NH3+])c1 ZINC000020262574 171119896 /nfs/dbraw/zinc/11/98/96/171119896.db2.gz XUKFMTNZIXLJII-IRXDYDNUSA-N 1 0 253.345 3.389 10 0 CGAERO COc1ccc(-c2nn(-c3ccc(C)cc3)cc2C[NH3+])cc1 ZINC000020390711 171179589 /nfs/dbraw/zinc/17/95/89/171179589.db2.gz JDEADJASADUVLE-UHFFFAOYSA-N 1 0 293.370 3.315 10 0 CGAERO [NH3+]CCSCCOc1ccc(Cl)cc1Cl ZINC000020399431 171181655 /nfs/dbraw/zinc/18/16/55/171181655.db2.gz DVOXKLKLSQUBLS-UHFFFAOYSA-N 1 0 266.193 3.064 10 0 CGAERO Clc1ccc2nc(C3CC[NH2+]CC3)sc2c1 ZINC000020398328 171181950 /nfs/dbraw/zinc/18/19/50/171181950.db2.gz CRUUWXOJXJBFJT-UHFFFAOYSA-N 1 0 252.770 3.417 10 0 CGAERO CCC[C@H](C)NC(=O)[C@@H](C)Oc1ccc([C@@H]([NH3+])CC)cc1 ZINC000020419538 171184741 /nfs/dbraw/zinc/18/47/41/171184741.db2.gz KRQQUJMMISTEOE-ZENOOKHLSA-N 1 0 292.423 3.169 10 0 CGAERO CCn1cc(C[NH2+]C[C@@H]2CCCN2CC)c2ccccc21 ZINC000020968487 171282813 /nfs/dbraw/zinc/28/28/13/171282813.db2.gz DIBPVOVYBMAHRM-INIZCTEOSA-N 1 0 285.435 3.235 10 0 CGAERO CCCOc1ccc(Cl)cc1CNCCC[NH+](C)C ZINC000020967806 171282922 /nfs/dbraw/zinc/28/29/22/171282922.db2.gz LTGOWJURYVSPSM-UHFFFAOYSA-N 1 0 284.831 3.170 10 0 CGAERO CC[C@@H]1CC[C@@H]([NH3+])[C@@H](Oc2ccc3c(c2)CCC3)C1 ZINC000021011967 171287633 /nfs/dbraw/zinc/28/76/33/171287633.db2.gz DOTZHFDAEPTSNH-JLZZUVOBSA-N 1 0 259.393 3.460 10 0 CGAERO Cc1ccccc1C(=O)Nc1ccccc1[C@@H](C)[NH3+] ZINC000022163915 171365282 /nfs/dbraw/zinc/36/52/82/171365282.db2.gz DDYUERSTQHAEBG-GFCCVEGCSA-N 1 0 254.333 3.267 10 0 CGAERO C[C@@H]([NH3+])c1ccccc1NC(=O)Nc1ccccc1 ZINC000022166366 171365921 /nfs/dbraw/zinc/36/59/21/171365921.db2.gz FHJZXIKZGFJZHG-LLVKDONJSA-N 1 0 255.321 3.350 10 0 CGAERO Cc1ccsc1[C@H](C[NH3+])N1CCc2ccccc2C1 ZINC000022176865 171371044 /nfs/dbraw/zinc/37/10/44/171371044.db2.gz FUMCSZRYEPRZJZ-HNNXBMFYSA-N 1 0 272.417 3.115 10 0 CGAERO COc1ccccc1[C@@H]([NH3+])COc1cc(C)cc(C)c1 ZINC000022562568 171391220 /nfs/dbraw/zinc/39/12/20/171391220.db2.gz ZPXCGEJDVXVHBG-INIZCTEOSA-N 1 0 271.360 3.391 10 0 CGAERO COc1ccc([C@@H]([NH3+])[C@@H](C)Oc2ccccc2)cc1 ZINC000022563227 171391349 /nfs/dbraw/zinc/39/13/49/171391349.db2.gz QEMRSOODKDMYCF-WBMJQRKESA-N 1 0 257.333 3.163 10 0 CGAERO COc1cc(C)ccc1O[C@H](C[NH3+])c1ccc(C)cc1 ZINC000032119330 171711214 /nfs/dbraw/zinc/71/12/14/171711214.db2.gz KJZGYVTVSYGKGT-QGZVFWFLSA-N 1 0 271.360 3.391 10 0 CGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(C)(C)C1CCCC1 ZINC000126381696 287263308 /nfs/dbraw/zinc/26/33/08/287263308.db2.gz OPEPHUOGDWAGFW-OAHLLOKOSA-N 1 0 280.456 3.146 10 0 CGAERO CCOc1cccc(C[NH2+][C@H](C)C(C)C)c1OC ZINC000034992002 171918964 /nfs/dbraw/zinc/91/89/64/171918964.db2.gz ZCCVIFXIMXEUFG-GFCCVEGCSA-N 1 0 251.370 3.228 10 0 CGAERO C[C@@H]1CCC[C@](C[NH3+])(N2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000035176776 172029758 /nfs/dbraw/zinc/02/97/58/172029758.db2.gz VLPQQYVKBVLFQN-TWMKSMIVSA-N 1 0 264.457 3.406 10 0 CGAERO C[C@@H]([NH2+][C@H]1CCc2ccccc21)C(=O)NC1CCCCC1 ZINC000035180584 172034447 /nfs/dbraw/zinc/03/44/47/172034447.db2.gz KVIZHKNXRTVEHR-DYVFJYSZSA-N 1 0 286.419 3.101 10 0 CGAERO COc1ccc([C@@H]([NH3+])c2ccc(Br)o2)c(C)c1 ZINC000035381207 172163457 /nfs/dbraw/zinc/16/34/57/172163457.db2.gz WDTZEWFTDJWSEL-CYBMUJFWSA-N 1 0 296.164 3.407 10 0 CGAERO [NH3+]Cc1c(Oc2cccc(Cl)c2)nc2ccccn21 ZINC000035450311 172204810 /nfs/dbraw/zinc/20/48/10/172204810.db2.gz BYSWJOXAETYCKG-UHFFFAOYSA-N 1 0 273.723 3.239 10 0 CGAERO C[NH2+][C@@H](c1ccc(C)s1)[C@H]1Cc2ccccc2O1 ZINC000035458996 172208588 /nfs/dbraw/zinc/20/85/88/172208588.db2.gz ACXFHCCRNFXWMZ-UKRRQHHQSA-N 1 0 259.374 3.321 10 0 CGAERO C[NH2+][C@H](c1ccc(F)cc1)c1ccc(F)cc1F ZINC000035463787 172211770 /nfs/dbraw/zinc/21/17/70/172211770.db2.gz NLVUTDVZIQFXGI-CQSZACIVSA-N 1 0 251.251 3.413 10 0 CGAERO CC[C@H](C)[C@H]([NH2+]C)c1cc2c(cc1Cl)NC(=O)C2 ZINC000035507261 172240235 /nfs/dbraw/zinc/24/02/35/172240235.db2.gz VMLUBKDJFKRLMV-RTHLEPHNSA-N 1 0 266.772 3.141 10 0 CGAERO CC[C@H](C)[C@@H]([NH2+]C)c1cc2c(cc1Cl)NC(=O)C2 ZINC000035507267 172240375 /nfs/dbraw/zinc/24/03/75/172240375.db2.gz VMLUBKDJFKRLMV-RMLUDKJBSA-N 1 0 266.772 3.141 10 0 CGAERO C[C@H](CSC(C)(C)C)[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000253339845 298872944 /nfs/dbraw/zinc/87/29/44/298872944.db2.gz AOUNUFNEXCAIAW-LPWJVIDDSA-N 1 0 257.443 3.064 10 0 CGAERO CC[NH2+][C@@H](c1ccc(OC)c(Cl)c1)[C@@H]1CCCO1 ZINC000035538636 172245035 /nfs/dbraw/zinc/24/50/35/172245035.db2.gz OOAGMNRSFBMZQS-KBPBESRZSA-N 1 0 269.772 3.178 10 0 CGAERO CC[NH2+][C@H](c1cc(OC)ccc1OC)C(C)(C)C ZINC000035541422 172248864 /nfs/dbraw/zinc/24/88/64/172248864.db2.gz LAARMVSNNCZJLW-CQSZACIVSA-N 1 0 251.370 3.401 10 0 CGAERO CC[NH2+][C@@H](c1ccc(C)o1)c1ccc2c(c1)CCO2 ZINC000035542145 172249967 /nfs/dbraw/zinc/24/99/67/172249967.db2.gz DWRZMNODCAWLNE-MRXNPFEDSA-N 1 0 257.333 3.222 10 0 CGAERO CCC[NH2+][C@@H](c1ccc(F)cc1F)[C@@H]1CCCO1 ZINC000035582009 172279344 /nfs/dbraw/zinc/27/93/44/172279344.db2.gz WASGTRAYFREEAW-KBPBESRZSA-N 1 0 255.308 3.185 10 0 CGAERO CC[NH2+][C@H](C)c1ccccc1NC(=O)C1CCCC1 ZINC000035643857 172321152 /nfs/dbraw/zinc/32/11/52/172321152.db2.gz PVQZQNLWLUMSTL-GFCCVEGCSA-N 1 0 260.381 3.486 10 0 CGAERO [NH3+]Cc1cc(Cl)cc(Cl)c1OC[C@H]1CCCO1 ZINC000035661837 172339772 /nfs/dbraw/zinc/33/97/72/172339772.db2.gz VTLIIEFXHHMADL-SNVBAGLBSA-N 1 0 276.163 3.010 10 0 CGAERO [NH3+]Cc1ccnc(Sc2ccc(C(F)(F)F)cn2)c1 ZINC000035720133 172374650 /nfs/dbraw/zinc/37/46/50/172374650.db2.gz BNEBPOBGFMIIPH-UHFFFAOYSA-N 1 0 285.294 3.105 10 0 CGAERO COCCS[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000035721949 172377806 /nfs/dbraw/zinc/37/78/06/172377806.db2.gz GUTVHPOFZWNYII-FRRDWIJNSA-N 1 0 259.459 3.156 10 0 CGAERO C[C@H]([NH3+])c1nc2cc(Br)ccc2s1 ZINC000037205894 173027216 /nfs/dbraw/zinc/02/72/16/173027216.db2.gz MHKSWFGMWCFFKL-YFKPBYRVSA-N 1 0 257.156 3.079 10 0 CGAERO COC(=O)c1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000037211372 173033272 /nfs/dbraw/zinc/03/32/72/173033272.db2.gz LTEFMTPBYPPOIT-SWLSCSKDSA-N 1 0 261.365 3.142 10 0 CGAERO CC[N@@H+]1CCC[C@@H]([C@@H](C)Nc2c(F)cccc2F)C1 ZINC000037221942 173041679 /nfs/dbraw/zinc/04/16/79/173041679.db2.gz OHYBGCMXVORSGM-VXGBXAGGSA-N 1 0 268.351 3.497 10 0 CGAERO CC[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1)C(C)C ZINC000037295823 173100035 /nfs/dbraw/zinc/10/00/35/173100035.db2.gz KJSDXBJWQXBFPK-DLBZAZTESA-N 1 0 260.425 3.285 10 0 CGAERO Cc1ccc([C@H]([NH3+])c2cnn(-c3ccccc3)c2)cc1 ZINC000037308982 173112236 /nfs/dbraw/zinc/11/22/36/173112236.db2.gz YDIIJRHVKNIULP-KRWDZBQOSA-N 1 0 263.344 3.229 10 0 CGAERO O[C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000037378044 173166219 /nfs/dbraw/zinc/16/62/19/173166219.db2.gz PLITWGRAFLODBE-CABZTGNLSA-N 1 0 260.164 3.026 10 0 CGAERO CCCn1c2ccc(F)cc2nc1[C@@H]([NH3+])CCSC ZINC000037439594 173209272 /nfs/dbraw/zinc/20/92/72/173209272.db2.gz VQVSLVUMBLKHMA-NSHDSACASA-N 1 0 281.400 3.338 10 0 CGAERO CC[C@@H](C)[C@@H]([NH3+])c1nc2cc(Br)ccc2n1C ZINC000037441371 173211216 /nfs/dbraw/zinc/21/12/16/173211216.db2.gz XNNCMUJVIGGEEB-PRHODGIISA-N 1 0 296.212 3.382 10 0 CGAERO Clc1cccc2nc([C@H]3CCC[NH2+]C3)n(C3CC3)c21 ZINC000037444367 173212359 /nfs/dbraw/zinc/21/23/59/173212359.db2.gz MDHDYVFSYLPJRR-JTQLQIEISA-N 1 0 275.783 3.492 10 0 CGAERO Cc1cc(C[C@H](C)[NH3+])cc(C)c1OCc1cscn1 ZINC000037723319 173641925 /nfs/dbraw/zinc/64/19/25/173641925.db2.gz PAQAXYATAGTKQD-LBPRGKRZSA-N 1 0 276.405 3.229 10 0 CGAERO Cc1ccccc1COc1cccc(C[C@H](C)[NH3+])c1 ZINC000037726433 173644819 /nfs/dbraw/zinc/64/48/19/173644819.db2.gz PFRKMNRRJPEWII-AWEZNQCLSA-N 1 0 255.361 3.464 10 0 CGAERO CCOc1cccc(C[C@H]([NH3+])CC)c1OCC1CC1 ZINC000037728649 173648074 /nfs/dbraw/zinc/64/80/74/173648074.db2.gz STAZMLIXYABDHC-CQSZACIVSA-N 1 0 263.381 3.154 10 0 CGAERO C[C@H](C[NH2+]C1[C@H](C)CCC[C@H]1C)N1CCCCC1 ZINC000038028321 174016064 /nfs/dbraw/zinc/01/60/64/174016064.db2.gz NNWDGXIZQABSSX-RBSFLKMASA-N 1 0 252.446 3.275 10 0 CGAERO COC(=O)CCC[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000038030842 174023303 /nfs/dbraw/zinc/02/33/03/174023303.db2.gz UBVTWVXBXAEJDG-UHFFFAOYSA-N 1 0 289.400 3.458 10 0 CGAERO [NH3+]CCN(Cc1ccccc1)c1ccc2ccccc2n1 ZINC000038033123 174029696 /nfs/dbraw/zinc/02/96/96/174029696.db2.gz JLWVEOJSWUCQPI-UHFFFAOYSA-N 1 0 277.371 3.200 10 0 CGAERO CC[NH2+][C@H](C)c1ccc(-n2cc(Br)cn2)cc1 ZINC000038054441 174065893 /nfs/dbraw/zinc/06/58/93/174065893.db2.gz CQHZVURSBRFYJH-SNVBAGLBSA-N 1 0 294.196 3.305 10 0 CGAERO CC[C@@H](C)[NH2+][C@](C)(C(N)=O)c1ccc(Cl)cc1Cl ZINC000038065492 174075957 /nfs/dbraw/zinc/07/59/57/174075957.db2.gz WVPLQPHMQUQSEA-OQPBUACISA-N 1 0 289.206 3.082 10 0 CGAERO CCC[NH2+]Cc1cc(-c2cccnc2)ccc1OC ZINC000038069942 174080949 /nfs/dbraw/zinc/08/09/49/174080949.db2.gz BGTXOUILDXBGEY-UHFFFAOYSA-N 1 0 256.349 3.257 10 0 CGAERO COc1ccc(-c2ccc3c(c2)CCC3)cc1C[NH3+] ZINC000038073318 174083393 /nfs/dbraw/zinc/08/33/93/174083393.db2.gz OQOCZIPQVQKZCT-UHFFFAOYSA-N 1 0 253.345 3.310 10 0 CGAERO Cc1cc(C)cc(COc2cccc(CC[NH3+])c2)c1 ZINC000038077518 174088343 /nfs/dbraw/zinc/08/83/43/174088343.db2.gz OVUUYSRHYPHNPP-UHFFFAOYSA-N 1 0 255.361 3.384 10 0 CGAERO C[C@H](c1cc(F)c(Cl)cc1Cl)N1CCC[NH2+]CC1 ZINC000038087075 174098372 /nfs/dbraw/zinc/09/83/72/174098372.db2.gz FSGGMOSVQKCIDP-SECBINFHSA-N 1 0 291.197 3.489 10 0 CGAERO CC[NH2+][C@@H](Cc1ccccc1OC)c1ccc(C)o1 ZINC000038135171 174133219 /nfs/dbraw/zinc/13/32/19/174133219.db2.gz GOMKCRRGANRZMF-AWEZNQCLSA-N 1 0 259.349 3.490 10 0 CGAERO NC[C@@]1([NH+]2CCCCCC2)CCCc2ccccc21 ZINC000039046735 174161913 /nfs/dbraw/zinc/16/19/13/174161913.db2.gz XVCSBCBDNJXKQI-KRWDZBQOSA-N 1 0 258.409 3.053 10 0 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176116038 /nfs/dbraw/zinc/11/60/38/176116038.db2.gz WESMDYSMSAPERQ-LBPRGKRZSA-N 1 0 284.787 3.450 10 0 CGAERO CC(C)Cc1ccc([C@H]2C[NH2+]C[C@H](C3CC3)O2)cc1 ZINC000071308677 176116467 /nfs/dbraw/zinc/11/64/67/176116467.db2.gz YVUVEUMFCSUZRO-IAGOWNOFSA-N 1 0 259.393 3.325 10 0 CGAERO CCC([NH3+])(CC)c1nc(C)cc(-c2ccccc2)n1 ZINC000071396874 176150003 /nfs/dbraw/zinc/15/00/03/176150003.db2.gz PFHHVUKYZVQZIN-UHFFFAOYSA-N 1 0 255.365 3.426 10 0 CGAERO C[C@H]([NH3+])Cc1ccc(OCC(F)F)c(C(F)(F)F)c1 ZINC000071399576 176152227 /nfs/dbraw/zinc/15/22/27/176152227.db2.gz ATFQEAPJVRCIJQ-ZETCQYMHSA-N 1 0 283.240 3.239 10 0 CGAERO [NH3+][C@@H]1c2cccc(Br)c2CCC12CC2 ZINC000071489396 176190272 /nfs/dbraw/zinc/19/02/72/176190272.db2.gz AVIWJZKNKGNDQQ-LLVKDONJSA-N 1 0 252.155 3.175 10 0 CGAERO C[NH2+]C[C@@H](OC)c1ccc(OC(C)C)c(Cl)c1 ZINC000071583374 176208265 /nfs/dbraw/zinc/20/82/65/176208265.db2.gz PBDKPSAXQZTVEW-CYBMUJFWSA-N 1 0 257.761 3.034 10 0 CGAERO CC[NH2+][C@@H](C(=O)c1ccc(OC)c(C)c1C)C(C)C 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CC(C)c1cccc(OC[C@H](C[NH3+])c2cc[nH]c2)c1 ZINC000076667659 177051725 /nfs/dbraw/zinc/05/17/25/177051725.db2.gz KHCNAEGOBMIVAI-HNNXBMFYSA-N 1 0 258.365 3.259 10 0 CGAERO Cn1cccc1[C@H](CC[NH3+])CCc1cccc(F)c1 ZINC000076670869 177053652 /nfs/dbraw/zinc/05/36/52/177053652.db2.gz DROHFPSTLHBKAI-AWEZNQCLSA-N 1 0 260.356 3.229 10 0 CGAERO CC[C@H](CC[NH3+])C(=O)Nc1c(C)cccc1C(C)C ZINC000076675589 177056039 /nfs/dbraw/zinc/05/60/39/177056039.db2.gz OMHPTCHVZOBLNM-CYBMUJFWSA-N 1 0 262.397 3.432 10 0 CGAERO C[C@@H](c1ccccc1)N1CCC([NH+]2CCCC2)CC1 ZINC000076680072 177057964 /nfs/dbraw/zinc/05/79/64/177057964.db2.gz BHKWOLFXBDNUCS-HNNXBMFYSA-N 1 0 258.409 3.308 10 0 CGAERO CC1(C)CC[C@@H]2CCN(Cc3ccccc3)C[C@@H]2[NH2+]1 ZINC000076697687 177061059 /nfs/dbraw/zinc/06/10/59/177061059.db2.gz KSWFKFDPBGLFIU-CVEARBPZSA-N 1 0 258.409 3.039 10 0 CGAERO CCC[C@@H](CC[NH3+])C(=O)Nc1ccc(Cl)cc1C ZINC000076705932 177065610 /nfs/dbraw/zinc/06/56/10/177065610.db2.gz UCNRFVMIVTWVDP-NSHDSACASA-N 1 0 268.788 3.352 10 0 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PPDBLCOUYWVJEG-GYTBAZASSA-N 1 0 251.414 3.096 10 0 CGAERO OCC1CC([NH2+]Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000657808584 419363060 /nfs/dbraw/zinc/36/30/60/419363060.db2.gz MMJIHYLPYIILFT-UHFFFAOYSA-N 1 0 297.398 3.126 10 0 CGAERO c1ccc2c(c1)OCC[C@@H]2[NH2+][C@H]1CCCSCC1 ZINC000657818379 419367774 /nfs/dbraw/zinc/36/77/74/419367774.db2.gz ANKNJKYQASEFNJ-JSGCOSHPSA-N 1 0 263.406 3.386 10 0 CGAERO CO[C@H](C[NH2+][C@H]1CCOc2ccccc21)C1CCCC1 ZINC000658313562 419754499 /nfs/dbraw/zinc/75/44/99/419754499.db2.gz DMSGAOSEPUOZNK-DOTOQJQBSA-N 1 0 275.392 3.305 10 0 CGAERO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1C[C@@H]1C)CC3 ZINC000180436708 260102036 /nfs/dbraw/zinc/10/20/36/260102036.db2.gz HTCQNLCMZVTSLM-JKDFXYPNSA-N 1 0 254.377 3.332 10 0 CGAERO Cn1ccc(CC[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)n1 ZINC000230897739 287641377 /nfs/dbraw/zinc/64/13/77/287641377.db2.gz GCDXMRNCMAUFID-CABCVRRESA-N 1 0 263.429 3.157 10 0 CGAERO c1ccc(CCN2CC[C@@H]([NH2+]C3CCCCC3)C2)cc1 ZINC000040671084 270029829 /nfs/dbraw/zinc/02/98/29/270029829.db2.gz LIQSVQONMSXPNY-GOSISDBHSA-N 1 0 272.436 3.226 10 0 CGAERO CC(C)[C@H](C)NC(=O)C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000042269385 270031927 /nfs/dbraw/zinc/03/19/27/270031927.db2.gz IPSPAPGKTCRKQG-VHSXEESVSA-N 1 0 288.844 3.213 10 0 CGAERO CC(=O)N1CCC(C[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000108367614 270050579 /nfs/dbraw/zinc/05/05/79/270050579.db2.gz OMHGSWIUCCYJOS-SJORKVTESA-N 1 0 294.483 3.439 10 0 CGAERO CC(=O)N1CCC(C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000108367611 270050658 /nfs/dbraw/zinc/05/06/58/270050658.db2.gz OMHGSWIUCCYJOS-IAGOWNOFSA-N 1 0 294.483 3.439 10 0 CGAERO CCN1CCC[C@@H]([NH2+][C@@H](C)Cc2ccc(Cl)cc2)C1 ZINC000223038601 270086269 /nfs/dbraw/zinc/08/62/69/270086269.db2.gz SMWUFGCMQJOHQX-XJKSGUPXSA-N 1 0 280.843 3.345 10 0 CGAERO CSc1ccc(N[C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000520793639 270098984 /nfs/dbraw/zinc/09/89/84/270098984.db2.gz DJSCQZIELOBACS-NEPJUHHUSA-N 1 0 250.411 3.209 10 0 CGAERO Cc1cc(-c2ccc3c(c2)CCOC3)ccc1C[NH3+] 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CGAERO Cc1nn([C@H](c2ccc(F)cc2)[C@H](C)[NH3+])c(C)c1Cl ZINC000050586291 526306247 /nfs/dbraw/zinc/30/62/47/526306247.db2.gz URYCNFATMQSLRU-RTHLEPHNSA-N 1 0 281.762 3.229 10 0 CGAERO CC(C)(C)NC(=O)C[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000132762620 526314562 /nfs/dbraw/zinc/31/45/62/526314562.db2.gz OAYQAUBNTANLMS-MRXNPFEDSA-N 1 0 288.435 3.204 10 0 CGAERO c1ccc2c(c1)cccc2COC[C@@H]1CCCC[NH2+]1 ZINC000051815956 526513780 /nfs/dbraw/zinc/51/37/80/526513780.db2.gz LDCGTFPFJOLWRX-INIZCTEOSA-N 1 0 255.361 3.499 10 0 CGAERO O=C(CC[C@@H]1CCCC[NH2+]1)Nc1ccc(Cl)cc1F ZINC000050944511 526548291 /nfs/dbraw/zinc/54/82/91/526548291.db2.gz DEYAKTYQYUXDGR-NSHDSACASA-N 1 0 284.762 3.340 10 0 CGAERO O=C(c1ccc(Cl)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000070236006 526679384 /nfs/dbraw/zinc/67/93/84/526679384.db2.gz OQFZUXIZSXHRSC-QMMMGPOBSA-N 1 0 258.148 3.176 10 0 CGAERO Cc1nc(C2CC2)nc(C)c1[C@H](C)C[NH2+]CC(C)C ZINC000054855135 526771962 /nfs/dbraw/zinc/77/19/62/526771962.db2.gz VWVXRPJFDSQHDT-LLVKDONJSA-N 1 0 261.413 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CGAERO CC(C)CCc1nc(CN2CC[N@@H+]3CCC[C@@H]3C2)cs1 ZINC000173339661 527871576 /nfs/dbraw/zinc/87/15/76/527871576.db2.gz SRRJIZNTPGRDNZ-OAHLLOKOSA-N 1 0 293.480 3.012 10 0 CGAERO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1C ZINC000148493322 528062668 /nfs/dbraw/zinc/06/26/68/528062668.db2.gz NNUVVDRXJOJFSX-ZNMIVQPWSA-N 1 0 276.424 3.339 10 0 CGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](C)c1cccc(F)c1 ZINC000173256603 528500215 /nfs/dbraw/zinc/50/02/15/528500215.db2.gz FKGGZQCPUSQKJW-XJKSGUPXSA-N 1 0 294.414 3.022 10 0 CGAERO CCC[C@H](C)C[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190481078 535612106 /nfs/dbraw/zinc/61/21/06/535612106.db2.gz IYARSZSWQGSXPQ-FUHWJXTLSA-N 1 0 289.467 3.272 10 0 CGAERO CC[C@H]1CN(c2c(Cl)cccc2Cl)CC[NH2+]1 ZINC000083431252 536159208 /nfs/dbraw/zinc/15/92/08/536159208.db2.gz GOITUKGILYRNQN-VIFPVBQESA-N 1 0 259.180 3.182 10 0 CGAERO C[C@@]1(COCc2ccccc2)[NH2+]CCc2ccsc21 ZINC000712586807 567852083 /nfs/dbraw/zinc/85/20/83/567852083.db2.gz AICKBCBZVHXUDP-INIZCTEOSA-N 1 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PHZXBIPSXHPKCN-AWEZNQCLSA-N 1 0 297.337 3.221 10 0 CGAERO CSc1c(C[NH2+]C(C)C)c(C)nn1-c1ccccc1 ZINC000104301866 185959932 /nfs/dbraw/zinc/95/99/32/185959932.db2.gz UOILDZPOUKOLQM-UHFFFAOYSA-N 1 0 275.421 3.401 10 0 CGAERO Cc1cc(C)cc(CN(C2CCCC2)[C@H]2CC[NH2+]C2)c1 ZINC000090376608 179978946 /nfs/dbraw/zinc/97/89/46/179978946.db2.gz HOIWAWKEXNLGSZ-SFHVURJKSA-N 1 0 272.436 3.410 10 0 CGAERO NC(=[NH2+])c1ccc2cc(OC(=O)c3ccccc3)ccc2c1 ZINC000090556729 180003579 /nfs/dbraw/zinc/00/35/79/180003579.db2.gz SEPJQQWQYNEMDL-UHFFFAOYSA-N 1 0 290.322 3.343 10 0 CGAERO CC[C@@H]([NH3+])Cc1cc(F)ccc1SCCCOC ZINC000104445540 186004935 /nfs/dbraw/zinc/00/49/35/186004935.db2.gz YGZLPCBAFSZDFM-CYBMUJFWSA-N 1 0 271.401 3.234 10 0 CGAERO Cc1ccc2oc(C(=O)Nc3ccc(C[NH3+])cc3)cc2c1 ZINC000042892950 137892116 /nfs/dbraw/zinc/89/21/16/137892116.db2.gz DAKPQCAJLRIROE-UHFFFAOYSA-N 1 0 280.327 3.452 10 0 CGAERO C[C@H]([NH3+])c1nc2c(cccc2F)n1-c1ccccc1 ZINC000091692141 180228436 /nfs/dbraw/zinc/22/84/36/180228436.db2.gz 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CC(C)[C@H](C[NH2+]C[C@@H](O)C(C)(C)C)c1ccccc1 ZINC000324599282 542443108 /nfs/dbraw/zinc/44/31/08/542443108.db2.gz IDAQKDQHOCEDRZ-JKSUJKDBSA-N 1 0 263.425 3.423 10 0 CGAERO Cc1ccc([C@H](C)[NH2+]CC2C[C@H](C)O[C@@H](C)C2)o1 ZINC000281438830 195240513 /nfs/dbraw/zinc/24/05/13/195240513.db2.gz CQEHDODHXKQRJK-AVGNSLFASA-N 1 0 251.370 3.442 10 0 CGAERO CC[C@@](C)(C[NH3+])c1nc(C2CCCCCC2)no1 ZINC000211539439 572534227 /nfs/dbraw/zinc/53/42/27/572534227.db2.gz NEUSZXDKTCUGDR-AWEZNQCLSA-N 1 0 251.374 3.134 10 0 CGAERO CCN1CC[C@@H]([NH2+][C@H]2CCCC23CCCCC3)C1 ZINC000313008403 285377282 /nfs/dbraw/zinc/37/72/82/285377282.db2.gz NWSZSDCQIXDUHG-CABCVRRESA-N 1 0 250.430 3.173 10 0 CGAERO C[C@@H]1C[N@H+](C[C@H]2CCC[C@H](O)C2)CCc2ccccc21 ZINC000404721426 542625043 /nfs/dbraw/zinc/62/50/43/542625043.db2.gz DYXBOFVOVJNWJM-VYDXJSESSA-N 1 0 273.420 3.199 10 0 CGAERO CC(C)COc1cccc(NC(=O)[C@H]([NH3+])CC(C)C)c1 ZINC000032125600 391966690 /nfs/dbraw/zinc/96/66/90/391966690.db2.gz XZUNVIBABMQIMW-OAHLLOKOSA-N 1 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CGAERO COc1cc([C@@H](C)[NH2+][C@H](C)c2ccccn2)ccc1O ZINC000020123543 171004659 /nfs/dbraw/zinc/00/46/59/171004659.db2.gz OAGOQTLBMKPEHZ-VXGBXAGGSA-N 1 0 272.348 3.208 10 0 CGAERO C[C@@H]1C[C@@H]([NH2+]CCc2nnc3ccccn32)CC(C)(C)C1 ZINC000020128254 171014768 /nfs/dbraw/zinc/01/47/68/171014768.db2.gz JDTURAOWAIKJGS-ZIAGYGMSSA-N 1 0 286.423 3.076 10 0 CGAERO C[NH+](C)C[C@H](NCc1ccc(F)cc1F)c1ccccc1 ZINC000020129241 171017242 /nfs/dbraw/zinc/01/72/42/171017242.db2.gz KHUIECNCQGKAQY-KRWDZBQOSA-N 1 0 290.357 3.357 10 0 CGAERO COc1ccccc1CN(C)[C@H](C[NH3+])c1cccc(C)c1 ZINC000020225503 171088036 /nfs/dbraw/zinc/08/80/36/171088036.db2.gz FPEVJNQFYDUFFW-QGZVFWFLSA-N 1 0 284.403 3.135 10 0 CGAERO Cc1ccccc1CN(C)[C@@H](C[NH3+])c1ccccc1C ZINC000020225430 171088786 /nfs/dbraw/zinc/08/87/86/171088786.db2.gz FJBUQYGUZJUZHF-SFHVURJKSA-N 1 0 268.404 3.435 10 0 CGAERO COc1ccccc1CN(C)[C@H](C[NH3+])c1ccc(C)cc1 ZINC000020225559 171089021 /nfs/dbraw/zinc/08/90/21/171089021.db2.gz MGDIPZZTXIJOBG-QGZVFWFLSA-N 1 0 284.403 3.135 10 0 CGAERO Cc1ccc([C@H](C[NH3+])N2CCc3ccccc3C2)cc1 ZINC000020225533 171089137 /nfs/dbraw/zinc/08/91/37/171089137.db2.gz YKEZEHSRCXOIJR-SFHVURJKSA-N 1 0 266.388 3.053 10 0 CGAERO [NH3+]C[C@H](c1cccc(Cl)c1)N1CCc2ccccc2C1 ZINC000020225940 171089322 /nfs/dbraw/zinc/08/93/22/171089322.db2.gz XTBFDRHPSLXFIG-QGZVFWFLSA-N 1 0 286.806 3.398 10 0 CGAERO CC(C)Oc1ccc([C@H](C[NH3+])N(C)CC(C)(C)C)cc1 ZINC000020226589 171091017 /nfs/dbraw/zinc/09/10/17/171091017.db2.gz MZHVBQWHXSIPRR-INIZCTEOSA-N 1 0 278.440 3.452 10 0 CGAERO [NH3+]C[C@@H](c1ccc(Cl)cc1Cl)N1CCSCC1 ZINC000020257072 171111478 /nfs/dbraw/zinc/11/14/78/171111478.db2.gz BLVHICZYWPBLRY-LBPRGKRZSA-N 1 0 291.247 3.042 10 0 CGAERO [NH3+]C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCSCC1 ZINC000020257060 171111870 /nfs/dbraw/zinc/11/18/70/171111870.db2.gz BTHAEIUKBVFRJE-LBPRGKRZSA-N 1 0 291.247 3.042 10 0 CGAERO C[N@@H+]1CCCC[C@H]1COc1ccc(C(F)(F)F)cc1N ZINC000020352069 171156269 /nfs/dbraw/zinc/15/62/69/171156269.db2.gz ZJIRPXMSKWQJBZ-NSHDSACASA-N 1 0 288.313 3.151 10 0 CGAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000020366127 171164799 /nfs/dbraw/zinc/16/47/99/171164799.db2.gz FXQNEWUDDKKINZ-XJFOESAGSA-N 1 0 268.445 3.094 10 0 CGAERO CCCCCNC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C ZINC000020366099 171164845 /nfs/dbraw/zinc/16/48/45/171164845.db2.gz IUKLMLLNIRANFR-QPSCCSFWSA-N 1 0 268.445 3.096 10 0 CGAERO Cc1cccc(-n2cc(C[NH3+])c(-c3ccccc3)n2)c1 ZINC000020390733 171179780 /nfs/dbraw/zinc/17/97/80/171179780.db2.gz YMUBAKBUUQEIDT-UHFFFAOYSA-N 1 0 263.344 3.306 10 0 CGAERO COc1ccc(-c2nn(-c3ccccc3C)cc2C[NH3+])cc1 ZINC000020390773 171179838 /nfs/dbraw/zinc/17/98/38/171179838.db2.gz HDWYPRPCBUGUTF-UHFFFAOYSA-N 1 0 293.370 3.315 10 0 CGAERO [NH3+]CCSCCOc1cc(Cl)ccc1Cl ZINC000020399429 171181747 /nfs/dbraw/zinc/18/17/47/171181747.db2.gz KTFVUYWFLKQBIL-UHFFFAOYSA-N 1 0 266.193 3.064 10 0 CGAERO Cc1c(Cl)cccc1N[C@@H]1C[NH+]2CCC1CC2 ZINC000020440459 171203867 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/nfs/dbraw/zinc/36/50/73/171365073.db2.gz VCGYUMZPNXTEHN-INIZCTEOSA-N 1 0 258.340 3.352 10 0 CGAERO CN(c1ccccc1)[C@H](C[NH3+])c1ccccc1Cl ZINC000022163940 171365339 /nfs/dbraw/zinc/36/53/39/171365339.db2.gz FUMZEZCQIKNXKP-OAHLLOKOSA-N 1 0 260.768 3.476 10 0 CGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCCC(=O)Nc1cccc(N)c1 ZINC000022169766 171367942 /nfs/dbraw/zinc/36/79/42/171367942.db2.gz VOVIXSAYESXDLD-ZIAGYGMSSA-N 1 0 289.423 3.250 10 0 CGAERO [NH3+]Cc1cccnc1Oc1ccccc1C(F)(F)F ZINC000022175715 171370651 /nfs/dbraw/zinc/37/06/51/171370651.db2.gz LXZMUFYUCQWDNV-UHFFFAOYSA-N 1 0 268.238 3.351 10 0 CGAERO CCOc1ccccc1[C@H](C[NH3+])N(C)C1CCCCC1 ZINC000022212790 171374479 /nfs/dbraw/zinc/37/44/79/171374479.db2.gz DDGLBHVNZDTYCI-INIZCTEOSA-N 1 0 276.424 3.350 10 0 CGAERO CCOc1ccc([C@H](CN)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000022213747 171374953 /nfs/dbraw/zinc/37/49/53/171374953.db2.gz ZJYXNAAZHPSOBU-CPUCHLNUSA-N 1 0 276.424 3.063 10 0 CGAERO CCOc1ccccc1C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000022221817 171378246 /nfs/dbraw/zinc/37/82/46/171378246.db2.gz ZGYDHIMPHQATJI-GFCCVEGCSA-N 1 0 284.359 3.357 10 0 CGAERO COc1ccc([C@H]([NH3+])[C@H](C)Oc2ccccc2)cc1 ZINC000022563242 171391073 /nfs/dbraw/zinc/39/10/73/171391073.db2.gz QEMRSOODKDMYCF-BLLLJJGKSA-N 1 0 257.333 3.163 10 0 CGAERO CCOc1ccc([C@@H]([NH3+])COc2ccccc2)cc1 ZINC000022564638 171391781 /nfs/dbraw/zinc/39/17/81/171391781.db2.gz RESNVPYIPCUXHI-INIZCTEOSA-N 1 0 257.333 3.164 10 0 CGAERO COc1cccc(C[NH2+]C2CC2)c1OC1CCCC1 ZINC000032111994 171704978 /nfs/dbraw/zinc/70/49/78/171704978.db2.gz NIMFICHKOATBAZ-UHFFFAOYSA-N 1 0 261.365 3.269 10 0 CGAERO CC[NH2+][C@H](C)c1ccc(Sc2nncs2)cc1 ZINC000034669004 171855920 /nfs/dbraw/zinc/85/59/20/171855920.db2.gz NNQRAXYFDSALMM-SECBINFHSA-N 1 0 265.407 3.360 10 0 CGAERO COc1ccc(F)cc1[C@H]([NH3+])c1cc(F)cc(F)c1 ZINC000034957113 171902632 /nfs/dbraw/zinc/90/26/32/171902632.db2.gz HOYBYGFBAKXQLU-CQSZACIVSA-N 1 0 267.250 3.161 10 0 CGAERO CC[NH2+][C@@H](CC)c1ccccc1OCCOCC ZINC000035063515 171963851 /nfs/dbraw/zinc/96/38/51/171963851.db2.gz BBRDNIMNUGYHEQ-AWEZNQCLSA-N 1 0 251.370 3.163 10 0 CGAERO O=C(C[NH2+][C@H]1CCc2ccccc21)Nc1ccccc1F ZINC000035180547 172034474 /nfs/dbraw/zinc/03/44/74/172034474.db2.gz XANFTFIMONKZCP-HNNXBMFYSA-N 1 0 284.334 3.041 10 0 CGAERO CSCCC[NH2+][C@@H]1CCCC[C@H]1C(F)(F)F ZINC000035258234 172089724 /nfs/dbraw/zinc/08/97/24/172089724.db2.gz GTTJDXFYSWCMMZ-NXEZZACHSA-N 1 0 255.349 3.450 10 0 CGAERO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC000035221884 172064859 /nfs/dbraw/zinc/06/48/59/172064859.db2.gz UHAYBNAVCDTZLX-GRDNDAEWSA-N 1 0 288.435 3.347 10 0 CGAERO COc1ccc(C(C)=O)cc1C[N@H+](C)[C@@H](C)C1CC1 ZINC000035224982 172069427 /nfs/dbraw/zinc/06/94/27/172069427.db2.gz NLQABZICVPCNMZ-NSHDSACASA-N 1 0 261.365 3.128 10 0 CGAERO CCN(CC)C(=O)[C@@H](C)[NH2+][C@H](c1cccs1)C(C)C ZINC000035224713 172069559 /nfs/dbraw/zinc/06/95/59/172069559.db2.gz ZDBGAOPTDXIYTJ-OCCSQVGLSA-N 1 0 282.453 3.292 10 0 CGAERO FC(F)(F)CO[C@H]1CCC[C@H]([NH2+]C2CCCC2)C1 ZINC000035273377 172093516 /nfs/dbraw/zinc/09/35/16/172093516.db2.gz AUMSFOFWNWJTCZ-RYUDHWBXSA-N 1 0 265.319 3.409 10 0 CGAERO Fc1ccccc1[C@@H]1C[NH2+]C[C@@H](c2ccccc2)O1 ZINC000035285278 172103535 /nfs/dbraw/zinc/10/35/35/172103535.db2.gz JKWPXZBOEFJJPX-HOTGVXAUSA-N 1 0 257.308 3.228 10 0 CGAERO Cc1ccccc1[C@@H]1C[NH2+]C[C@@H](c2ccccc2)O1 ZINC000035285382 172103813 /nfs/dbraw/zinc/10/38/13/172103813.db2.gz SJPYRTOGODBZMQ-IRXDYDNUSA-N 1 0 253.345 3.397 10 0 CGAERO COc1ccc(Br)cc1[C@@H]([NH3+])c1ccoc1C ZINC000035381726 172164311 /nfs/dbraw/zinc/16/43/11/172164311.db2.gz LYJPEBYMIWBOHT-ZDUSSCGKSA-N 1 0 296.164 3.407 10 0 CGAERO COc1ccc([C@@H]([NH3+])c2cccs2)cc1Cl ZINC000035381620 172164317 /nfs/dbraw/zinc/16/43/17/172164317.db2.gz CHTREWSOXTWEIE-GFCCVEGCSA-N 1 0 253.754 3.458 10 0 CGAERO CCC[NH2+]Cc1cccc(OC)c1O[C@H](C)CC ZINC000035413750 172186576 /nfs/dbraw/zinc/18/65/76/172186576.db2.gz JZBOFSRHBZHORR-GFCCVEGCSA-N 1 0 251.370 3.372 10 0 CGAERO CCC[NH2+]Cc1cccc(OC)c1O[C@@H](C)CC ZINC000035413748 172186688 /nfs/dbraw/zinc/18/66/88/172186688.db2.gz JZBOFSRHBZHORR-LBPRGKRZSA-N 1 0 251.370 3.372 10 0 CGAERO [NH3+]Cc1c(Oc2ccc(Cl)cc2)nc2sccn21 ZINC000035430605 172198854 /nfs/dbraw/zinc/19/88/54/172198854.db2.gz NOWBSTWURCPRJW-UHFFFAOYSA-N 1 0 279.752 3.300 10 0 CGAERO C[NH2+][C@H](c1ccc(F)c(F)c1)c1ccccc1F ZINC000035494626 172227960 /nfs/dbraw/zinc/22/79/60/172227960.db2.gz UQPGANLHGIBLLM-CQSZACIVSA-N 1 0 251.251 3.413 10 0 CGAERO C[NH2+][C@H](c1cc(OC)c(OC)cc1Cl)[C@H]1C[C@H]1C ZINC000035501292 172235910 /nfs/dbraw/zinc/23/59/10/172235910.db2.gz RTDJGLMOADYTRG-ITMYJUKJSA-N 1 0 269.772 3.274 10 0 CGAERO CC[C@@H](C)[C@@H]([NH2+]C)c1cc2c(cc1Cl)OCCO2 ZINC000035501376 172235953 /nfs/dbraw/zinc/23/59/53/172235953.db2.gz SXCULAHCEYXLNC-YMTOWFKASA-N 1 0 269.772 3.418 10 0 CGAERO C[NH2+][C@@H](Cc1ncc[nH]1)c1cc(Cl)ccc1Cl ZINC000035504320 172238236 /nfs/dbraw/zinc/23/82/36/172238236.db2.gz XLHDBCBEDPBSJA-NSHDSACASA-N 1 0 270.163 3.220 10 0 CGAERO C[NH2+][C@@H](c1ccccc1)c1ccc2c(c1)C[C@H](C)O2 ZINC000035504590 172238300 /nfs/dbraw/zinc/23/83/00/172238300.db2.gz XNNYUJNSCASZDT-SJCJKPOMSA-N 1 0 253.345 3.319 10 0 CGAERO C[NH2+][C@H](CC(F)(F)F)c1ccc2c(c1)C[C@H](C)O2 ZINC000035505306 172238503 /nfs/dbraw/zinc/23/85/03/172238503.db2.gz OYPAEEMJQJYMKR-GZMMTYOYSA-N 1 0 259.271 3.223 10 0 CGAERO CC[NH2+][C@H](c1cccs1)c1ccc2c(c1)CCO2 ZINC000035542185 172250426 /nfs/dbraw/zinc/25/04/26/172250426.db2.gz VEYDWCOKMCTZCW-HNNXBMFYSA-N 1 0 259.374 3.382 10 0 CGAERO CCC[NH2+][C@H](c1ccc2c(c1)CC(=O)N2)C1CCC1 ZINC000035582773 172280900 /nfs/dbraw/zinc/28/09/00/172280900.db2.gz RBBPIIJTBVZIEO-INIZCTEOSA-N 1 0 258.365 3.022 10 0 CGAERO CCC[NH2+][C@H](Cc1ncc[nH]1)c1cccc(Cl)c1 ZINC000035586600 172285373 /nfs/dbraw/zinc/28/53/73/172285373.db2.gz XJRGEXANGAPOLT-CYBMUJFWSA-N 1 0 263.772 3.347 10 0 CGAERO Cc1ccc([C@@H]([NH2+][C@@H](C)CO)c2ccccc2)c(C)c1 ZINC000035602761 172290992 /nfs/dbraw/zinc/29/09/92/172290992.db2.gz RESFRMGNNWUUJO-YJBOKZPZSA-N 1 0 269.388 3.363 10 0 CGAERO C[NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(C)o2)cc1 ZINC000035634891 172319230 /nfs/dbraw/zinc/31/92/30/172319230.db2.gz XGDWIEXDCARHMY-NSHDSACASA-N 1 0 258.321 3.121 10 0 CGAERO CCC[NH2+][C@@H](C)c1ccccc1NC(=O)OCC ZINC000035645924 172322686 /nfs/dbraw/zinc/32/26/86/172322686.db2.gz GHSUWGGGPBIJRX-NSHDSACASA-N 1 0 250.342 3.316 10 0 CGAERO C[NH2+][C@@H]1CCCOc2c1cc(OC)cc2C(C)(C)C ZINC000035652755 172329384 /nfs/dbraw/zinc/32/93/84/172329384.db2.gz TWOXHZXMMCQLMF-CQSZACIVSA-N 1 0 263.381 3.426 10 0 CGAERO Cc1ccc(CN(C)[C@H](C[NH3+])c2sccc2C)o1 ZINC000035699397 172368276 /nfs/dbraw/zinc/36/82/76/172368276.db2.gz DGMCIDSAUHBVLA-CYBMUJFWSA-N 1 0 264.394 3.090 10 0 CGAERO Cc1ccc([C@H](C[NH3+])N(C)Cc2cccs2)cc1 ZINC000035716993 172370978 /nfs/dbraw/zinc/37/09/78/172370978.db2.gz KEQFAUJLMHXVNJ-HNNXBMFYSA-N 1 0 260.406 3.188 10 0 CGAERO CC(C)CC[C@](C)(C[NH3+])N(C)Cc1cccs1 ZINC000035717189 172371019 /nfs/dbraw/zinc/37/10/19/172371019.db2.gz RJZYLOZHRHNEBA-CQSZACIVSA-N 1 0 254.443 3.334 10 0 CGAERO C[N@H+](Cc1cccs1)Cc1ccc2c(c1)CCN2 ZINC000035717727 172371916 /nfs/dbraw/zinc/37/19/16/172371916.db2.gz ZPDLMTBXKVLRBH-UHFFFAOYSA-N 1 0 258.390 3.348 10 0 CGAERO COCCS[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1C[NH3+] ZINC000035721951 172377620 /nfs/dbraw/zinc/37/76/20/172377620.db2.gz GUTVHPOFZWNYII-RWMBFGLXSA-N 1 0 259.459 3.156 10 0 CGAERO [NH3+]C[C@@H]1CCCC[C@@H]1Sc1nc2ccccc2[nH]1 ZINC000035723682 172378862 /nfs/dbraw/zinc/37/88/62/172378862.db2.gz PLTNTMOHAKOOQU-GWCFXTLKSA-N 1 0 261.394 3.173 10 0 CGAERO CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)C1 ZINC000126592180 287268515 /nfs/dbraw/zinc/26/85/15/287268515.db2.gz XCARMTMVWBKFGB-SOUVJXGZSA-N 1 0 280.456 3.192 10 0 CGAERO CC[NH2+]Cc1ccccc1NC(=O)c1ccc(C)cc1 ZINC000036281444 172572811 /nfs/dbraw/zinc/57/28/11/172572811.db2.gz YZQMYBNRGROWMR-UHFFFAOYSA-N 1 0 268.360 3.357 10 0 CGAERO C[C@H]1C[NH2+]C[C@@H](c2ccc(-c3ccccc3)cc2)O1 ZINC000036673179 172650377 /nfs/dbraw/zinc/65/03/77/172650377.db2.gz MRDIZOOTLKBGPN-GUYCJALGSA-N 1 0 253.345 3.403 10 0 CGAERO C[C@@H]([NH2+]Cc1cscc1Br)[C@H]1CCCO1 ZINC000285597633 196339252 /nfs/dbraw/zinc/33/92/52/196339252.db2.gz YBSZCWQSWMEKLU-LDYMZIIASA-N 1 0 290.226 3.168 10 0 CGAERO CC(C)C[C@H](C)OC(=O)Nc1ccc(C[NH3+])cc1 ZINC000037222948 173043078 /nfs/dbraw/zinc/04/30/78/173043078.db2.gz OIDAACRNWUCOKU-NSHDSACASA-N 1 0 250.342 3.128 10 0 CGAERO Cc1nc2sccn2c1C[NH2+][C@@H](C)Cc1cccs1 ZINC000037284827 173091844 /nfs/dbraw/zinc/09/18/44/173091844.db2.gz ZTJNZFNIXGNOPV-JTQLQIEISA-N 1 0 291.445 3.487 10 0 CGAERO COC(=O)CCC[NH2+]CCc1ccc(Cl)cc1Cl ZINC000037286534 173092656 /nfs/dbraw/zinc/09/26/56/173092656.db2.gz DYSZQECIBPRYDP-UHFFFAOYSA-N 1 0 290.190 3.079 10 0 CGAERO CC[N@H+](CC(C)C)[C@H](C)C(=O)c1ccc(OC)cc1 ZINC000037336365 173137574 /nfs/dbraw/zinc/13/75/74/173137574.db2.gz ZWBKCHAMQWLHTM-CYBMUJFWSA-N 1 0 263.381 3.244 10 0 CGAERO O[C@@H](c1cc(Cl)ccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000037378766 173166843 /nfs/dbraw/zinc/16/68/43/173166843.db2.gz LLRBRQISVSMGIF-QPUJVOFHSA-N 1 0 260.164 3.026 10 0 CGAERO CC(C)C[C@H]([NH3+])c1nc2cc(Cl)ccc2n1C ZINC000037440187 173210337 /nfs/dbraw/zinc/21/03/37/173210337.db2.gz BPRNAWONJRRWOR-JTQLQIEISA-N 1 0 251.761 3.273 10 0 CGAERO CCC[NH2+][C@]1(C(=O)OCC)C[C@H](C)CC[C@@H]1C(C)C ZINC000037513521 173244904 /nfs/dbraw/zinc/24/49/04/173244904.db2.gz CKHZUXSYPONGSL-IIAWOOMASA-N 1 0 269.429 3.380 10 0 CGAERO CC[C@H](NC(=O)[C@@](C)([NH3+])C1CC1)c1ccc(Cl)cc1 ZINC000037615069 173562859 /nfs/dbraw/zinc/56/28/59/173562859.db2.gz VUOBQPZNZHTMMY-ZFWWWQNUSA-N 1 0 280.799 3.035 10 0 CGAERO C[C@]([NH3+])(c1nc(-c2ccc(Cl)cc2)c[nH]1)C1CC1 ZINC000037615848 173564662 /nfs/dbraw/zinc/56/46/62/173564662.db2.gz NAWRPHOTBMEHBR-CQSZACIVSA-N 1 0 261.756 3.314 10 0 CGAERO CSc1ccccc1NC(=O)CCC[NH2+]C(C)C ZINC000037634141 173582413 /nfs/dbraw/zinc/58/24/13/173582413.db2.gz BILZOMUKARGJJJ-UHFFFAOYSA-N 1 0 266.410 3.125 10 0 CGAERO CC[C@H](C[C@@H](C)CC)[NH2+]CCC(=O)N(CC)CC ZINC000037752552 173676328 /nfs/dbraw/zinc/67/63/28/173676328.db2.gz LKEQUXBOFJCHRN-UONOGXRCSA-N 1 0 256.434 3.049 10 0 CGAERO Cc1n[nH]c(C)c1C[NH2+][C@H](C)Cc1ccccc1C ZINC000037777211 173708649 /nfs/dbraw/zinc/70/86/49/173708649.db2.gz GDONIWLXGVHPHS-GFCCVEGCSA-N 1 0 257.381 3.056 10 0 CGAERO CCC1CCC(C[NH2+]CC2(O)CCCCC2)CC1 ZINC000037905566 173838461 /nfs/dbraw/zinc/83/84/61/173838461.db2.gz JKDYMGLNJXZHFI-UHFFFAOYSA-N 1 0 253.430 3.488 10 0 CGAERO CCCOc1ccc(NC2CC[NH2+]CC2)cc1Cl ZINC000038041542 174042367 /nfs/dbraw/zinc/04/23/67/174042367.db2.gz CBWZDBFDMWCUMN-UHFFFAOYSA-N 1 0 268.788 3.293 10 0 CGAERO C[NH2+][C@@H](c1ccoc1C)c1ccc2c(c1)CCCO2 ZINC000038057872 174067967 /nfs/dbraw/zinc/06/79/67/174067967.db2.gz WRSMYPMRNPFLCB-MRXNPFEDSA-N 1 0 257.333 3.222 10 0 CGAERO [NH3+]Cc1ccc(F)c(-c2ccc3c(c2)CCCO3)c1 ZINC000038073863 174084203 /nfs/dbraw/zinc/08/42/03/174084203.db2.gz XQZGTZVDABTXCZ-UHFFFAOYSA-N 1 0 257.308 3.276 10 0 CGAERO COc1ccc(-c2nc(C[NH3+])cs2)cc1Br ZINC000040999759 174448018 /nfs/dbraw/zinc/44/80/18/174448018.db2.gz YXOVVGGRIYEKKV-UHFFFAOYSA-N 1 0 299.193 3.040 10 0 CGAERO C[C@@H]([NH3+])[C@H](OCc1cccs1)c1ccc(F)cc1 ZINC000042942742 174918589 /nfs/dbraw/zinc/91/85/89/174918589.db2.gz SJHHQYIKZXSVCE-YGRLFVJLSA-N 1 0 265.353 3.492 10 0 CGAERO [NH3+]C[C@H](SCc1ccco1)c1ccc(F)cc1 ZINC000042943508 174918908 /nfs/dbraw/zinc/91/89/08/174918908.db2.gz VSVGFAXJPZYFIG-ZDUSSCGKSA-N 1 0 251.326 3.352 10 0 CGAERO CCc1c(C)nn([C@H](C[NH3+])c2ccc(Cl)cc2)c1C ZINC000042947629 174922254 /nfs/dbraw/zinc/92/22/54/174922254.db2.gz QDFDFVOMYOQWGM-OAHLLOKOSA-N 1 0 277.799 3.264 10 0 CGAERO CCCCCO[C@@H](c1ccc(OC)cc1)[C@@H](C)[NH3+] ZINC000042963918 174928252 /nfs/dbraw/zinc/92/82/52/174928252.db2.gz GITFVLANLQUSHV-IUODEOHRSA-N 1 0 251.370 3.290 10 0 CGAERO COc1ccc([C@H](SCC(C)C)[C@H](C)[NH3+])cc1 ZINC000042964910 174928797 /nfs/dbraw/zinc/92/87/97/174928797.db2.gz COCZCOPNAVDRFH-SMDDNHRTSA-N 1 0 253.411 3.473 10 0 CGAERO CC[C@H]([NH3+])[C@@H](Sc1nncs1)c1cccc(C)c1 ZINC000042969887 174933078 /nfs/dbraw/zinc/93/30/78/174933078.db2.gz NXUYUHWZPGKIKF-RYUDHWBXSA-N 1 0 279.434 3.417 10 0 CGAERO CC[C@H]([NH3+])[C@H](Sc1ncccn1)c1cccc(C)c1 ZINC000042969935 174933147 /nfs/dbraw/zinc/93/31/47/174933147.db2.gz HYJWGGNHIZWBRB-UONOGXRCSA-N 1 0 273.405 3.356 10 0 CGAERO CC(C)OCCO[C@@H](c1cccc(Cl)c1)[C@H](C)[NH3+] ZINC000043017934 174944012 /nfs/dbraw/zinc/94/40/12/174944012.db2.gz HFSHPBNRERQSDV-SMDDNHRTSA-N 1 0 271.788 3.170 10 0 CGAERO Cc1cnc(S[C@@H](C[NH3+])c2cccc(Cl)c2)nc1 ZINC000043019741 174944916 /nfs/dbraw/zinc/94/49/16/174944916.db2.gz LRLIXEYEBAZXLM-LBPRGKRZSA-N 1 0 279.796 3.231 10 0 CGAERO CCN([C@H](c1ccccc1Cl)[C@@H](C)[NH3+])C1CC1 ZINC000043051253 174958789 /nfs/dbraw/zinc/95/87/89/174958789.db2.gz DDAAHZUHUBCXNG-YGRLFVJLSA-N 1 0 252.789 3.213 10 0 CGAERO CC[C@@H]([NH3+])[C@@H](c1cccs1)N(C)Cc1ccccn1 ZINC000043103894 174969673 /nfs/dbraw/zinc/96/96/73/174969673.db2.gz MFANTKAVKTUWRL-HIFRSBDPSA-N 1 0 275.421 3.054 10 0 CGAERO CCN(C[C@H]1[NH2+]CCc2ccccc21)c1ccccc1 ZINC000043595977 175076838 /nfs/dbraw/zinc/07/68/38/175076838.db2.gz DPIHLTXRROYYPN-GOSISDBHSA-N 1 0 266.388 3.400 10 0 CGAERO CC[NH2+][C@H](C)CCc1cc(Br)cs1 ZINC000043688038 175094840 /nfs/dbraw/zinc/09/48/40/175094840.db2.gz KSGIWMVOXNHRBD-MRVPVSSYSA-N 1 0 262.216 3.441 10 0 CGAERO CCCC[NH+](CCCC)[C@H]1COc2ccccc2[C@@H]1O ZINC000044125946 175144120 /nfs/dbraw/zinc/14/41/20/175144120.db2.gz ICYOXDVZXKILII-RDJZCZTQSA-N 1 0 277.408 3.383 10 0 CGAERO [NH3+]CCc1ccc2ccccc2c1Br ZINC000044396440 175171026 /nfs/dbraw/zinc/17/10/26/175171026.db2.gz YINIEVWUSWMQRL-UHFFFAOYSA-N 1 0 250.139 3.104 10 0 CGAERO CC(C)CC[C@H](C)[NH2+]C[C@H](O)COC1CCCCC1 ZINC000070185194 175880271 /nfs/dbraw/zinc/88/02/71/175880271.db2.gz WCPRVEMQUDKFLE-GJZGRUSLSA-N 1 0 271.445 3.111 10 0 CGAERO Cc1cccc(OCC[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000128546285 287313327 /nfs/dbraw/zinc/31/33/27/287313327.db2.gz BEQCWRNNDUZTKP-SJLPKXTDSA-N 1 0 289.419 3.001 10 0 CGAERO c1ccc2c(c1)cccc2[C@@H]1C[NH2+]C[C@@H](C2CC2)O1 ZINC000071308823 176116505 /nfs/dbraw/zinc/11/65/05/176116505.db2.gz KMPPAXSSTUUYAI-IRXDYDNUSA-N 1 0 253.345 3.279 10 0 CGAERO CCN([C@@H](C)c1cc2ccccc2o1)[C@H]1CC[NH2+]C1 ZINC000071312230 176118913 /nfs/dbraw/zinc/11/89/13/176118913.db2.gz FPLUPIIDSFRBDD-JSGCOSHPSA-N 1 0 258.365 3.178 10 0 CGAERO CC[C@@H]1CN(Cc2cccc(F)c2)[C@H](C(C)C)C[NH2+]1 ZINC000071343665 176131132 /nfs/dbraw/zinc/13/11/32/176131132.db2.gz SBCYOVYCPXSXCZ-CVEARBPZSA-N 1 0 264.388 3.034 10 0 CGAERO CCCCc1ccc([C@@H]([C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000071587062 176214553 /nfs/dbraw/zinc/21/45/53/176214553.db2.gz JEJACVKSCLGVRO-SJORKVTESA-N 1 0 260.425 3.384 10 0 CGAERO CC[NH2+][C@@H](CC)C(=O)c1cc(Cl)cc(C)c1OC ZINC000071601081 176227492 /nfs/dbraw/zinc/22/74/92/176227492.db2.gz CAORCTJFGWTDBE-LBPRGKRZSA-N 1 0 269.772 3.228 10 0 CGAERO CC[NH2+][C@@H](C)C(=O)c1ccc(OC(C)C)c(Cl)c1 ZINC000071601038 176227849 /nfs/dbraw/zinc/22/78/49/176227849.db2.gz WMKVRMFPEHVZLL-JTQLQIEISA-N 1 0 269.772 3.308 10 0 CGAERO COc1ccc(-c2cc(C3CC[NH2+]CC3)ccn2)cc1 ZINC000072386817 176392160 /nfs/dbraw/zinc/39/21/60/176392160.db2.gz HAAKIYSCGSITFA-UHFFFAOYSA-N 1 0 268.360 3.224 10 0 CGAERO CC1(C)CC(C[NH3+])(c2ccc(Br)cc2)C1 ZINC000076397975 177015008 /nfs/dbraw/zinc/01/50/08/177015008.db2.gz IHUVVEVALVZTPQ-UHFFFAOYSA-N 1 0 268.198 3.466 10 0 CGAERO [NH3+]C[C@H](c1cc(Br)cs1)C1CCC1 ZINC000076669649 177052868 /nfs/dbraw/zinc/05/28/68/177052868.db2.gz DSSKLLAZRGVKOR-VIFPVBQESA-N 1 0 260.200 3.353 10 0 CGAERO CC1(C)CC[NH2+][C@H]2CCCN(Cc3ccccc3)[C@H]21 ZINC000076697524 177060771 /nfs/dbraw/zinc/06/07/71/177060771.db2.gz YHEVCQKICFAAOX-JKSUJKDBSA-N 1 0 258.409 3.039 10 0 CGAERO CC[C@@H](C[NH3+])CC(=O)Nc1cccc(Cl)c1Cl ZINC000076722323 177069707 /nfs/dbraw/zinc/06/97/07/177069707.db2.gz SDGZLVLEYRNPSE-MRVPVSSYSA-N 1 0 275.179 3.307 10 0 CGAERO O[C@@H]1CCC[C@@H](C[N@H+](Cc2ccccc2)C2CC2)C1 ZINC000309798592 416529884 /nfs/dbraw/zinc/52/98/84/416529884.db2.gz REMGLNJFVLVRAB-NVXWUHKLSA-N 1 0 259.393 3.202 10 0 CGAERO Cc1oncc1C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000129683772 287337411 /nfs/dbraw/zinc/33/74/11/287337411.db2.gz FQXVAVYDVKKDKI-VIFPVBQESA-N 1 0 250.729 3.487 10 0 CGAERO Cc1cnc([C@@H](C)[NH2+][C@@H](C)Cc2ccsc2)o1 ZINC000680934110 543747220 /nfs/dbraw/zinc/74/72/20/543747220.db2.gz KPUKDYGJLIZWLJ-GXSJLCMTSA-N 1 0 250.367 3.326 10 0 CGAERO CCC[C@H](C(=O)Nc1ccc(-c2ccccc2)cn1)[NH+](C)C ZINC000137346539 287489402 /nfs/dbraw/zinc/48/94/02/287489402.db2.gz SHKVVQXGZGKTSE-MRXNPFEDSA-N 1 0 297.402 3.417 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C)C1(CO)CC1 ZINC000658161683 419622855 /nfs/dbraw/zinc/62/28/55/419622855.db2.gz UCDPPJMWEKNLDX-MELADBBJSA-N 1 0 253.430 3.342 10 0 CGAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@@]2(C)CC2(F)F)c1C ZINC000658220588 419674239 /nfs/dbraw/zinc/67/42/39/419674239.db2.gz QPJIFDDVZQSIEJ-TVQRCGJNSA-N 1 0 271.355 3.216 10 0 CGAERO COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000226584524 287635157 /nfs/dbraw/zinc/63/51/57/287635157.db2.gz OBXMJIOCAZLXSZ-DMDPSCGWSA-N 1 0 267.344 3.052 10 0 CGAERO C[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[NH2+][C@@H](C)C1 ZINC000088058793 260421287 /nfs/dbraw/zinc/42/12/87/260421287.db2.gz DIVIWVKJXXECEY-UWVGGRQHSA-N 1 0 273.207 3.348 10 0 CGAERO CC(C)n1cncc1C[NH2+][C@@H](C)COCc1ccccc1 ZINC000390533099 262210396 /nfs/dbraw/zinc/21/03/96/262210396.db2.gz NCYZVBMTTPUNQI-HNNXBMFYSA-N 1 0 287.407 3.159 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000037166555 270028667 /nfs/dbraw/zinc/02/86/67/270028667.db2.gz AHSUILRVCUWZPS-NVXWUHKLSA-N 1 0 262.441 3.356 10 0 CGAERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(CCc3ccccc3)C2)C1 ZINC000042277131 270032188 /nfs/dbraw/zinc/03/21/88/270032188.db2.gz YHZWXCSLHOJFSA-NZSAHSFTSA-N 1 0 286.463 3.472 10 0 CGAERO CCC(CC)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1C ZINC000042337307 270032488 /nfs/dbraw/zinc/03/24/88/270032488.db2.gz QFCZGSQXEBTJBS-KGLIPLIRSA-N 1 0 276.424 3.339 10 0 CGAERO CCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000042587938 270033004 /nfs/dbraw/zinc/03/30/04/270033004.db2.gz CCJXMOANYJUXRX-ZJUUUORDSA-N 1 0 288.844 3.357 10 0 CGAERO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCC2(C)C)C1 ZINC000102959378 270045143 /nfs/dbraw/zinc/04/51/43/270045143.db2.gz RJVAQQBZRRYPJD-CQSZACIVSA-N 1 0 295.471 3.081 10 0 CGAERO C[C@H](NC(=O)[C@H]1CCC[C@@H]1[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000085360029 270043515 /nfs/dbraw/zinc/04/35/15/270043515.db2.gz RAKCRIWOLCOWPP-RCBQFDQVSA-N 1 0 288.435 3.289 10 0 CGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C1CCCCCC1 ZINC000101859955 270044626 /nfs/dbraw/zinc/04/46/26/270044626.db2.gz BAAUFSABZTUPFV-OAHLLOKOSA-N 1 0 268.445 3.049 10 0 CGAERO Cc1cncc([C@@H](C)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000184420789 270058506 /nfs/dbraw/zinc/05/85/06/270058506.db2.gz DHYGYXGWHMFPRG-NVXWUHKLSA-N 1 0 275.440 3.161 10 0 CGAERO COC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCOc2ccccc21 ZINC000178275054 274043320 /nfs/dbraw/zinc/04/33/20/274043320.db2.gz RCGRUKHYJLPSKS-AEFFLSMTSA-N 1 0 297.398 3.358 10 0 CGAERO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1C[C@H]1C)CC3 ZINC000123205774 274120525 /nfs/dbraw/zinc/12/05/25/274120525.db2.gz CKMXWYAFCAZNMN-CZIZLABSSA-N 1 0 270.376 3.032 10 0 CGAERO CCC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@H](C)CC[C@H]2C(C)C)C1 ZINC000246886734 287723989 /nfs/dbraw/zinc/72/39/89/287723989.db2.gz DQTSHJYVAQRIPH-FXUDXRNXSA-N 1 0 280.456 3.048 10 0 CGAERO COc1cccc2c1C[C@H]([NH2+]Cc1ccccc1)CC2 ZINC000028865405 274154032 /nfs/dbraw/zinc/15/40/32/274154032.db2.gz HAYFJPWCPAZXME-MRXNPFEDSA-N 1 0 267.372 3.342 10 0 CGAERO COc1ccccc1C[C@H]([NH2+]C[C@H](C)C[C@H](C)O)C(C)C ZINC000247970522 287752417 /nfs/dbraw/zinc/75/24/17/287752417.db2.gz HHAVVOWQCGYXNN-VYDXJSESSA-N 1 0 293.451 3.259 10 0 CGAERO Cc1ccc2c(C)cc(N3CCC4(CC[NH2+]4)CC3)nc2c1 ZINC000335017819 274768798 /nfs/dbraw/zinc/76/87/98/274768798.db2.gz NTDXRRJQODYMMR-UHFFFAOYSA-N 1 0 281.403 3.184 10 0 CGAERO Cc1cccc([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@H]2O)c1 ZINC000248001319 274796822 /nfs/dbraw/zinc/79/68/22/274796822.db2.gz KLBIVEYIGQWNLK-DOPJRALCSA-N 1 0 267.372 3.304 10 0 CGAERO O[C@@H]1CC[N@H+](Cc2ccc3c[nH]nc3c2)Cc2ccccc21 ZINC000371871269 275053953 /nfs/dbraw/zinc/05/39/53/275053953.db2.gz YQPCWHONEPWZPF-GOSISDBHSA-N 1 0 293.370 3.002 10 0 CGAERO CC1(C)CCCC[C@@H]1[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089732450 275812149 /nfs/dbraw/zinc/81/21/49/275812149.db2.gz TULKTHRJNPBQGM-CABCVRRESA-N 1 0 288.439 3.004 10 0 CGAERO CC1(C)C[C@H]([NH2+][C@@H]2CCSC2)c2ccccc2O1 ZINC000124175244 275869124 /nfs/dbraw/zinc/86/91/24/275869124.db2.gz WEVVZJJGIPXMPU-YPMHNXCESA-N 1 0 263.406 3.384 10 0 CGAERO CC1(C)[C@H]([NH2+][C@@H]2CCc3cc(F)ccc32)[C@H]2CCO[C@H]21 ZINC000247992254 275890655 /nfs/dbraw/zinc/89/06/55/275890655.db2.gz JOEWPLZMMMKASO-KLHDSHLOSA-N 1 0 275.367 3.216 10 0 CGAERO CC[NH+](CC)CCCN1CCC[C@H](c2nc(C)cs2)C1 ZINC000191780147 276096533 /nfs/dbraw/zinc/09/65/33/276096533.db2.gz XESLLVLOAZODHU-HNNXBMFYSA-N 1 0 295.496 3.363 10 0 CGAERO CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCCN(C2CC2)CC1 ZINC000191059939 276179445 /nfs/dbraw/zinc/17/94/45/276179445.db2.gz RWXITSSRHYKOKS-DOTOQJQBSA-N 1 0 262.441 3.149 10 0 CGAERO CC(C)CC1(CNC(=O)C2([NH3+])CCCCC2)CCCC1 ZINC000094876263 277348305 /nfs/dbraw/zinc/34/83/05/277348305.db2.gz RRTVXICAQKSOAI-UHFFFAOYSA-N 1 0 280.456 3.371 10 0 CGAERO CC(C)c1ccc([C@](C)([NH2+]C2CCCCC2)C(N)=O)cc1 ZINC000037971288 278051408 /nfs/dbraw/zinc/05/14/08/278051408.db2.gz UKWBGNJKMQJJTD-SFHVURJKSA-N 1 0 288.435 3.433 10 0 CGAERO C[C@@H]1NCCC[C@@H]1[NH2+][C@@H]1CCCCC12CCCC2 ZINC000396662451 288015115 /nfs/dbraw/zinc/01/51/15/288015115.db2.gz OHVHFVVOQFCKGV-SOUVJXGZSA-N 1 0 250.430 3.220 10 0 CGAERO C[C@H](N[C@H]1CCC[NH2+][C@@H]1C)c1cc2ccccc2o1 ZINC000396685738 288015481 /nfs/dbraw/zinc/01/54/81/288015481.db2.gz YAKBWYQYHXSRRD-DYEKYZERSA-N 1 0 258.365 3.224 10 0 CGAERO C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000163441971 278168341 /nfs/dbraw/zinc/16/83/41/278168341.db2.gz BUXPXNAQDQQKAV-WOPDTQHZSA-N 1 0 267.335 3.248 10 0 CGAERO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1cccc(F)n1 ZINC000301986619 278242731 /nfs/dbraw/zinc/24/27/31/278242731.db2.gz CYLLGMBVTNHTDS-ZDUSSCGKSA-N 1 0 273.355 3.153 10 0 CGAERO C[C@@H](CN[C@H]1CCOc2ccccc21)C[NH+]1CCCCC1 ZINC000038041864 278286732 /nfs/dbraw/zinc/28/67/32/278286732.db2.gz RFJMPIIEKRGMNE-RDJZCZTQSA-N 1 0 288.435 3.222 10 0 CGAERO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1C[C@H]1Cc2ccccc21 ZINC000253100528 278296551 /nfs/dbraw/zinc/29/65/51/278296551.db2.gz WKNSZJPGMOVFCX-UAGQMJEPSA-N 1 0 273.420 3.342 10 0 CGAERO CC(C)[C@@H](C(=O)N[C@@H](C)c1cccc(Cl)c1)[C@@H](C)[NH3+] ZINC000399700736 288053629 /nfs/dbraw/zinc/05/36/29/288053629.db2.gz CCTUSBUQLZDHJQ-UHIISALHSA-N 1 0 282.815 3.137 10 0 CGAERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000120824263 288074335 /nfs/dbraw/zinc/07/43/35/288074335.db2.gz MKIZJZOWCXZPTJ-DZUCGIPZSA-N 1 0 292.467 3.001 10 0 CGAERO CC1(C)Cc2occc2[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC000329282520 281376826 /nfs/dbraw/zinc/37/68/26/281376826.db2.gz MYYBQFQONUHZGO-NEPJUHHUSA-N 1 0 262.353 3.002 10 0 CGAERO CN(CCC(F)(F)F)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000088416397 289599750 /nfs/dbraw/zinc/59/97/50/289599750.db2.gz IREOTOGWSYTZAH-NSHDSACASA-N 1 0 280.721 3.224 10 0 CGAERO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000245897927 297599670 /nfs/dbraw/zinc/59/96/70/297599670.db2.gz ABTIKYDBDDWWFE-UBHSHLNASA-N 1 0 261.365 3.056 10 0 CGAERO Cc1nc(C[C@@H]([NH3+])c2ccc(Cl)cc2)cs1 ZINC000055294678 526917597 /nfs/dbraw/zinc/91/75/97/526917597.db2.gz BWXBPUNMZCQGIY-GFCCVEGCSA-N 1 0 252.770 3.347 10 0 CGAERO c1ccc2c(c1)OC1(CC[NH2+]CC1)CCN2CC1CCC1 ZINC000096028984 304858254 /nfs/dbraw/zinc/85/82/54/304858254.db2.gz QFFROUXMTPYMHB-UHFFFAOYSA-N 1 0 286.419 3.198 10 0 CGAERO CCC[C@@H]1C[C@H]1[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000396417194 329320061 /nfs/dbraw/zinc/32/00/61/329320061.db2.gz MAMBOKFCXMXICY-QTAHKJALSA-N 1 0 265.319 3.001 10 0 CGAERO C[C@H]1C[C@H](c2cccc(C(=O)OC(C)(C)C)c2)C[NH2+]1 ZINC000536958960 330383934 /nfs/dbraw/zinc/38/39/34/330383934.db2.gz NBAXRWDQUWVFSM-FZMZJTMJSA-N 1 0 261.365 3.107 10 0 CGAERO CC(C)(C)OC(=O)[C@]1([NH3+])CCCC[C@H]1C(C)(C)C ZINC000521400512 333250035 /nfs/dbraw/zinc/25/00/35/333250035.db2.gz KZBADMSIKDVMMH-NHYWBVRUSA-N 1 0 255.402 3.262 10 0 CGAERO CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000037015481 333463095 /nfs/dbraw/zinc/46/30/95/333463095.db2.gz BOHBENDSYOKWRC-KEYYUXOJSA-N 1 0 290.451 3.436 10 0 CGAERO CC(C)[NH2+]C[C@H]1C[C@@H]1c1ccc(OC(F)F)cc1 ZINC000054594352 519725543 /nfs/dbraw/zinc/72/55/43/519725543.db2.gz UMMRBFYNWLLQIH-DGCLKSJQSA-N 1 0 255.308 3.390 10 0 CGAERO CC(C)C[NH2+]C[C@@H](C(C)C)n1ccc(C(F)(F)F)n1 ZINC000052592820 519744427 /nfs/dbraw/zinc/74/44/27/519744427.db2.gz NONOSXRAZRGODK-NSHDSACASA-N 1 0 277.334 3.345 10 0 CGAERO CC[NH2+]CCCc1c(C)nc(CCC(C)C)nc1C ZINC000054837603 519920944 /nfs/dbraw/zinc/92/09/44/519920944.db2.gz RSGAVGYZVMRPSR-UHFFFAOYSA-N 1 0 263.429 3.224 10 0 CGAERO CCC[NH2+]Cc1occc1COc1cccc(F)c1 ZINC000052675654 519971743 /nfs/dbraw/zinc/97/17/43/519971743.db2.gz MTTIGFADKSCEFV-UHFFFAOYSA-N 1 0 263.312 3.497 10 0 CGAERO CCC[NH2+]Cc1sc(N(C)C)nc1C(C)(C)C ZINC000054995959 519972232 /nfs/dbraw/zinc/97/22/32/519972232.db2.gz JWLLBJWGEXUKQF-UHFFFAOYSA-N 1 0 255.431 3.006 10 0 CGAERO CC[NH2+]Cc1cnc(N(C)c2ccccc2F)s1 ZINC000054908004 520015993 /nfs/dbraw/zinc/01/59/93/520015993.db2.gz DATQVRTYSSHRKU-UHFFFAOYSA-N 1 0 265.357 3.160 10 0 CGAERO CC[NH2+][C@@H](Cc1c(F)cccc1Cl)C1CCOCC1 ZINC000061672889 520103989 /nfs/dbraw/zinc/10/39/89/520103989.db2.gz USBOWIUPKDAFCB-HNNXBMFYSA-N 1 0 285.790 3.426 10 0 CGAERO CC[NH2+][C@H](CCOCC)c1ccc2ncccc2c1 ZINC000062802405 520191277 /nfs/dbraw/zinc/19/12/77/520191277.db2.gz GURHBNYCIOTBQD-MRXNPFEDSA-N 1 0 258.365 3.312 10 0 CGAERO CC[NH2+][C@H]1CCN(c2cc(F)ccc2C)[C@H](C)C1 ZINC000049709663 520217691 /nfs/dbraw/zinc/21/76/91/520217691.db2.gz TUFUAWQOAZFTDX-OCCSQVGLSA-N 1 0 250.361 3.101 10 0 CGAERO CCCCOCCOc1ccc(C)cc1[C@H](C)[NH3+] ZINC000049261569 520793031 /nfs/dbraw/zinc/79/30/31/520793031.db2.gz VNDXRCUBFYPQIZ-ZDUSSCGKSA-N 1 0 251.370 3.210 10 0 CGAERO CCCc1nc(N2CCCC2)sc1C[NH2+]C(C)C ZINC000054995131 521530983 /nfs/dbraw/zinc/53/09/83/521530983.db2.gz LYCTTXZDHGVBQL-UHFFFAOYSA-N 1 0 267.442 3.194 10 0 CGAERO CCCN(CC(F)(F)F)[C@@H](CC)C[NH2+]C(C)C ZINC000052503998 521586104 /nfs/dbraw/zinc/58/61/04/521586104.db2.gz PNTIIAHQAAKMRV-NSHDSACASA-N 1 0 254.340 3.037 10 0 CGAERO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C1CCC(C)CC1 ZINC000054601536 521952691 /nfs/dbraw/zinc/95/26/91/521952691.db2.gz PANPZZFXIYLEIV-SVFSVNPNSA-N 1 0 250.430 3.170 10 0 CGAERO C[NH2+][C@H](Cc1c(F)cccc1Cl)c1ccccn1 ZINC000049347159 522469979 /nfs/dbraw/zinc/46/99/79/522469979.db2.gz UDPUAWFGWLCTIQ-CQSZACIVSA-N 1 0 264.731 3.377 10 0 CGAERO C[NH2+][C@H](c1ccc(Br)s1)[C@H]1CCCCO1 ZINC000050962984 522480939 /nfs/dbraw/zinc/48/09/39/522480939.db2.gz BNOJAYWDQMTSBA-KCJUWKMLSA-N 1 0 290.226 3.340 10 0 CGAERO CC[C@H]([NH3+])Cc1nc2c(s1)CCc1ccccc1-2 ZINC000054184189 517818242 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CC[NH2+]C[C@@H](C(C)C)N(C)Cc1cccc(Cl)c1 ZINC000052507858 519929591 /nfs/dbraw/zinc/92/95/91/519929591.db2.gz BUUBETQUPRBEEY-HNNXBMFYSA-N 1 0 268.832 3.406 10 0 CGAERO CC[NH2+]C[C@@H](OCCCOC)c1ccccc1Cl ZINC000050486327 519947394 /nfs/dbraw/zinc/94/73/94/519947394.db2.gz DCYLKGAACXLEOQ-CQSZACIVSA-N 1 0 271.788 3.044 10 0 CGAERO CCC[NH2+]Cc1cnn(Cc2cc(C)cc(C)c2)c1 ZINC000054719542 519964733 /nfs/dbraw/zinc/96/47/33/519964733.db2.gz GJAMVXDBUCQUPD-UHFFFAOYSA-N 1 0 257.381 3.048 10 0 CGAERO CC[NH2+]C[C@H](CC)N(C)Cc1cccc(Br)c1 ZINC000052545103 519971959 /nfs/dbraw/zinc/97/19/59/519971959.db2.gz OKFKNYZHOJQVGK-AWEZNQCLSA-N 1 0 299.256 3.269 10 0 CGAERO CC[NH2+]Cc1cnc(-c2ccc3ncccc3c2)s1 ZINC000062802512 520016041 /nfs/dbraw/zinc/01/60/41/520016041.db2.gz JKFIMJUFANLIBJ-UHFFFAOYSA-N 1 0 269.373 3.468 10 0 CGAERO CCC[NH2+][C@@H]1CCN(C2CCC(CCC)CC2)C1 ZINC000049545634 520022347 /nfs/dbraw/zinc/02/23/47/520022347.db2.gz PQKGITUSVYQAAU-HWOWSKLDSA-N 1 0 252.446 3.419 10 0 CGAERO CCOCCO[C@]1(C[NH2+]C(C)(C)C)CCC[C@H](C)C1 ZINC000050504248 520036872 /nfs/dbraw/zinc/03/68/72/520036872.db2.gz MAQFCPLYIDNZFO-GOEBONIOSA-N 1 0 271.445 3.377 10 0 CGAERO CCC[NH2+][C@H](C)c1cnc(N2CCCCC2)s1 ZINC000054901105 520067298 /nfs/dbraw/zinc/06/72/98/520067298.db2.gz MWEDYXFPPBKQMN-LLVKDONJSA-N 1 0 253.415 3.194 10 0 CGAERO CC[NH2+][C@@H](Cc1ccncc1)c1ccc(F)cc1F ZINC000055239214 520106464 /nfs/dbraw/zinc/10/64/64/520106464.db2.gz RFYMZHQLBXWREV-HNNXBMFYSA-N 1 0 262.303 3.253 10 0 CGAERO CC[NH2+][C@H]1CCN([C@@H](c2cccs2)C(C)C)C1 ZINC000049557873 520216462 /nfs/dbraw/zinc/21/64/62/520216462.db2.gz SWUIGHSHBQSHNN-GXTWGEPZSA-N 1 0 252.427 3.129 10 0 CGAERO CC[N@H+](CC(C)C)[C@H](CC(N)=S)c1ccccc1 ZINC000055024632 520415592 /nfs/dbraw/zinc/41/55/92/520415592.db2.gz QCDIYIDCJAEWAJ-CQSZACIVSA-N 1 0 264.438 3.382 10 0 CGAERO CCN(CC(F)(F)F)c1nc(C)c(C[NH2+]C(C)C)s1 ZINC000054998510 520422873 /nfs/dbraw/zinc/42/28/73/520422873.db2.gz TUBQMVQZXPCGIW-UHFFFAOYSA-N 1 0 295.374 3.338 10 0 CGAERO CCCC[NH+](CCCC)[C@@]1(CN)CCCSC1 ZINC000061589984 520498893 /nfs/dbraw/zinc/49/88/93/520498893.db2.gz ZMVXOVOVVUKEGY-CQSZACIVSA-N 1 0 258.475 3.113 10 0 CGAERO CCC[C@@H](CCCOCC(F)(F)F)C[NH2+]CC ZINC000052969720 520696356 /nfs/dbraw/zinc/69/63/56/520696356.db2.gz HDEFBKBJGAOTEB-NSHDSACASA-N 1 0 255.324 3.371 10 0 CGAERO CCC[C@@H]([NH2+]CC(=O)N(C)C(C)C)c1cccs1 ZINC000049545005 520771674 /nfs/dbraw/zinc/77/16/74/520771674.db2.gz VZZHGDCCPCTSLB-GFCCVEGCSA-N 1 0 268.426 3.046 10 0 CGAERO CCOC(=O)C[C@@H](C)[NH2+][C@@H]1CCCc2sccc21 ZINC000061362082 520836160 /nfs/dbraw/zinc/83/61/60/520836160.db2.gz CKJICDOSVYDGBE-ZYHUDNBSSA-N 1 0 267.394 3.057 10 0 CGAERO CCC[C@H](C)NC(=O)C[NH2+][C@@H](CC)C1CCCCC1 ZINC000052338472 521045096 /nfs/dbraw/zinc/04/50/96/521045096.db2.gz DVEDNUJBHMRCNJ-ZFWWWQNUSA-N 1 0 268.445 3.240 10 0 CGAERO CCOc1ccc([C@@H](C)[NH3+])cc1CO[C@H](C)CC ZINC000048264124 521215054 /nfs/dbraw/zinc/21/50/54/521215054.db2.gz WJXDJMBMGBQZSW-VXGBXAGGSA-N 1 0 251.370 3.420 10 0 CGAERO CCOc1ccc([C@@H]2CCC[C@@H]2[NH2+]C)cc1OCC ZINC000055231861 521246450 /nfs/dbraw/zinc/24/64/50/521246450.db2.gz WAKFDQNHQUQFJX-KBPBESRZSA-N 1 0 263.381 3.340 10 0 CGAERO CCCc1nc(N2CCCC[C@@H]2C)sc1C[NH2+]C ZINC000054995330 521531213 /nfs/dbraw/zinc/53/12/13/521531213.db2.gz GXVSPOGLFBXTFX-NSHDSACASA-N 1 0 267.442 3.194 10 0 CGAERO CCC(CC)[C@H](NC(=O)[C@@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000164092550 521618003 /nfs/dbraw/zinc/61/80/03/521618003.db2.gz GAOUTCWKPZTZNL-GUYCJALGSA-N 1 0 288.435 3.136 10 0 CGAERO C[NH2+]C[C@@H](C(C)C)N(Cc1cccs1)C(C)C ZINC000052544899 522024733 /nfs/dbraw/zinc/02/47/33/522024733.db2.gz BFYGGIQFMQSRIP-AWEZNQCLSA-N 1 0 254.443 3.203 10 0 CGAERO C[NH2+]C[C@H]1CC[C@H](COc2c(C)cc(Cl)cc2C)O1 ZINC000052651472 522096176 /nfs/dbraw/zinc/09/61/76/522096176.db2.gz KIOQWBROTNXOPJ-ZIAGYGMSSA-N 1 0 283.799 3.103 10 0 CGAERO C[NH2+]Cc1cc(CO[C@H]2CCCC[C@@H]2C)oc1C ZINC000052620119 522111531 /nfs/dbraw/zinc/11/15/31/522111531.db2.gz SMEHYIJDNVNVAI-NHYWBVRUSA-N 1 0 251.370 3.403 10 0 CGAERO CC[C@H](CCO)C[NH2+][C@H](c1ccc(OC)cc1)C1CC1 ZINC000094949131 522146392 /nfs/dbraw/zinc/14/63/92/522146392.db2.gz BDOYGJWPIPJACV-DYVFJYSZSA-N 1 0 277.408 3.145 10 0 CGAERO C[NH2+]Cc1coc(COc2ccc(Cl)cc2)c1 ZINC000052665105 522148138 /nfs/dbraw/zinc/14/81/38/522148138.db2.gz VWMCZPIBQPSOAE-UHFFFAOYSA-N 1 0 251.713 3.231 10 0 CGAERO C[NH2+][C@@H](C)c1sc(Cc2nc(C)cs2)nc1C ZINC000055269605 522338881 /nfs/dbraw/zinc/33/88/81/522338881.db2.gz VRFUMCQQOZQOIS-QMMMGPOBSA-N 1 0 267.423 3.088 10 0 CGAERO C[NH2+][C@@H](CCCOC)c1cc(Cl)c(OC)c(OC)c1 ZINC000053830455 522343081 /nfs/dbraw/zinc/34/30/81/522343081.db2.gz RXYQXCCBPXEJGQ-LBPRGKRZSA-N 1 0 287.787 3.044 10 0 CGAERO CCc1nc(N2CCC[C@H]2C)sc1C[NH2+]C(C)C ZINC000054968925 522386083 /nfs/dbraw/zinc/38/60/83/522386083.db2.gz ATVLCYCLNSHNMC-LLVKDONJSA-N 1 0 267.442 3.192 10 0 CGAERO C[NH2+][C@H](C)c1cnc(N(C)c2ccccc2F)s1 ZINC000054908018 522454311 /nfs/dbraw/zinc/45/43/11/522454311.db2.gz PYUJKSHOCZETAT-SECBINFHSA-N 1 0 265.357 3.331 10 0 CGAERO 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DFCXBILTTUERIV-TZMCWYRMSA-N 1 0 268.351 3.178 10 0 CGAERO CC[C@H]1C[NH2+][C@H](C)CN1c1ccccc1C(F)(F)F ZINC000083535426 536169927 /nfs/dbraw/zinc/16/99/27/536169927.db2.gz MZHAHQYFUOHEJX-MNOVXSKESA-N 1 0 272.314 3.282 10 0 CGAERO CC[C@H]1C[NH2+][C@H](C)CN1c1cccc(Cl)c1C ZINC000083394275 536169995 /nfs/dbraw/zinc/16/99/95/536169995.db2.gz YGLHIFWKGMXMFK-PWSUYJOCSA-N 1 0 252.789 3.225 10 0 CGAERO CC[C@H]1C[NH2+][C@H](C)CN1c1ccc(Cl)c(F)c1 ZINC000083418444 536170022 /nfs/dbraw/zinc/17/00/22/536170022.db2.gz ARJHUKNNEDQADB-ZJUUUORDSA-N 1 0 256.752 3.056 10 0 CGAERO COc1ccccc1C1CC([NH2+]C2CCSCC2)C1 ZINC000134485996 537015522 /nfs/dbraw/zinc/01/55/22/537015522.db2.gz ACHQXWRORQAIGS-UHFFFAOYSA-N 1 0 277.433 3.426 10 0 CGAERO CC(C)[C@H](C)S[C@H](C[NH3+])C(F)(F)C(F)(F)F ZINC000616570658 570409012 /nfs/dbraw/zinc/40/90/12/570409012.db2.gz TVVJMEJHYUIBAS-NKWVEPMBSA-N 1 0 265.291 3.289 10 0 CGAERO Brc1ccc([C@H]2NCCc3sccc32)nc1 ZINC000397130409 570290084 /nfs/dbraw/zinc/29/00/84/570290084.db2.gz UWFYAZZZRLCNLL-LBPRGKRZSA-N 1 0 295.205 3.141 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1ccc(F)c(Cl)c1 ZINC000217626141 572395451 /nfs/dbraw/zinc/39/54/51/572395451.db2.gz SLBCPVKGAFOARB-MVWJERBFSA-N 1 0 271.763 3.433 10 0 CGAERO Cc1csc2c1ncnc2NCc1ccc2c(c1)C[NH2+]C2 ZINC000222352583 572879748 /nfs/dbraw/zinc/87/97/48/572879748.db2.gz CKKFKECRRZFXKQ-UHFFFAOYSA-N 1 0 296.399 3.215 10 0 CGAERO CCC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc(C[NH3+])nc1 ZINC000757134983 617771096 /nfs/dbraw/zinc/77/10/96/617771096.db2.gz QQTPYMARNLIDLK-GFCCVEGCSA-N 1 0 293.411 3.470 10 0 CGAERO Cc1cc(C[C@H](O)C[NH2+]Cc2ccccc2)ccc1Cl ZINC000757155478 617820296 /nfs/dbraw/zinc/82/02/96/617820296.db2.gz DEBXPUUMTMFAJK-INIZCTEOSA-N 1 0 289.806 3.342 10 0 CGAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1OC ZINC000050368502 618097061 /nfs/dbraw/zinc/09/70/61/618097061.db2.gz XINOVVWJNSYTHY-BBWFWOEESA-N 1 0 275.392 3.230 10 0 CGAERO CCCCC[C@H](C)NC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000177321651 618815193 /nfs/dbraw/zinc/81/51/93/618815193.db2.gz LXAKVWMZORZDLG-GJZGRUSLSA-N 1 0 283.460 3.081 10 0 CGAERO C[C@H](C[C@H]1CCC(=O)N1)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000311451350 618909681 /nfs/dbraw/zinc/90/96/81/618909681.db2.gz SIGGMERKMHKTCN-UHIISALHSA-N 1 0 280.799 3.048 10 0 CGAERO c1ccc2c(c1)OC[C@@H]2[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000094373262 619245202 /nfs/dbraw/zinc/24/52/02/619245202.db2.gz DKINEPIDYYZKIJ-HIFRSBDPSA-N 1 0 273.376 3.202 10 0 CGAERO [NH3+][C@H]1CC[C@@H](c2nc(C3(c4ccccc4)CCC3)no2)C1 ZINC000097068318 619297181 /nfs/dbraw/zinc/29/71/81/619297181.db2.gz CZXBZRSJLJEIDB-OCCSQVGLSA-N 1 0 283.375 3.134 10 0 CGAERO C[C@H]([NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)[C@H]1C[C@H]1C ZINC000321478638 620310855 /nfs/dbraw/zinc/31/08/55/620310855.db2.gz ISJNHWMGTXGPDN-SEBNEYGDSA-N 1 0 296.455 3.314 10 0 CGAERO C[C@H]1CCC[C@](C[NH2+]CCc2ccccc2)(N(C)C)C1 ZINC000040668135 620542723 /nfs/dbraw/zinc/54/27/23/620542723.db2.gz GFWMGZBTTQNOMF-WMZOPIPTSA-N 1 0 274.452 3.329 10 0 CGAERO C[C@@H]([NH2+]Cc1cnccn1)C12CC3CC(CC(C3)C1)C2 ZINC000054765399 622796170 /nfs/dbraw/zinc/79/61/70/622796170.db2.gz XKPFOZXAECJGGK-JISDDCRVSA-N 1 0 271.408 3.171 10 0 CGAERO C[C@H](C[NH+]1CCCC1)OC(=O)c1cc2ccccc2o1 ZINC000059181521 622997274 /nfs/dbraw/zinc/99/72/74/622997274.db2.gz MKYXDBHBOIBQSQ-GFCCVEGCSA-N 1 0 273.332 3.074 10 0 CGAERO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC000230167744 623213919 /nfs/dbraw/zinc/21/39/19/623213919.db2.gz YIPLIERKCLKCFZ-HNNXBMFYSA-N 1 0 296.455 3.413 10 0 CGAERO CCC[C@@H](N)c1nc(C(C)(C)c2ccccc2)no1 ZINC000062772715 623266972 /nfs/dbraw/zinc/26/69/72/623266972.db2.gz IJWVYOORSLSEQL-GFCCVEGCSA-N 1 0 259.353 3.195 10 0 CGAERO C(c1noc(C2CCCCCC2)n1)[C@H]1CCC[NH2+]C1 ZINC000063084427 623293788 /nfs/dbraw/zinc/29/37/88/623293788.db2.gz OBRPXLAZYGTWFO-GFCCVEGCSA-N 1 0 263.385 3.050 10 0 CGAERO CC(C)c1nn(C)cc1-c1cccc2c1CC[C@@H]2[NH3+] ZINC000232764224 623560813 /nfs/dbraw/zinc/56/08/13/623560813.db2.gz ZLWWNFFKQNPHRR-HNNXBMFYSA-N 1 0 255.365 3.157 10 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CGAERO CC(C)n1cnnc1C1CC[NH+](C2CCCCC2)CC1 ZINC000065287583 345270988 /nfs/dbraw/zinc/27/09/88/345270988.db2.gz YPKZASZSYMALMY-UHFFFAOYSA-N 1 0 276.428 3.371 10 0 CGAERO CC1(C)CO[C@@H](c2ccccc2)C[N@@H+]1C[C@@H]1CCCCO1 ZINC000066897486 345310032 /nfs/dbraw/zinc/31/00/32/345310032.db2.gz KJGCCYHIVCQLFT-DLBZAZTESA-N 1 0 289.419 3.408 10 0 CGAERO Cc1cccc(N2CCC([NH2+]C[C@H]3CC=CCC3)CC2)n1 ZINC000123267259 136478474 /nfs/dbraw/zinc/47/84/74/136478474.db2.gz WFDMYPXBCGMURG-INIZCTEOSA-N 1 0 285.435 3.305 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)c1cnccn1 ZINC000070478788 345391379 /nfs/dbraw/zinc/39/13/79/345391379.db2.gz PQKNTRQSHRMBLE-GARJFASQSA-N 1 0 273.302 3.248 10 0 CGAERO C[C@@H]1C[C@H](c2cc(Br)cs2)[C@H](C)[NH2+]1 ZINC000070586994 345391719 /nfs/dbraw/zinc/39/17/19/345391719.db2.gz DHFHXEZFWFTEAH-FJXKBIBVSA-N 1 0 260.200 3.365 10 0 CGAERO [NH3+][C@H]1CCC[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000070573618 345392142 /nfs/dbraw/zinc/39/21/42/345392142.db2.gz LFWLXOUVFJPEFZ-KWQFWETISA-N 1 0 287.190 3.449 10 0 CGAERO CC(C)c1ccc([C@H](C)[NH2+]CC(=O)N(C)CC2CC2)cc1 ZINC000076574499 345546673 /nfs/dbraw/zinc/54/66/73/345546673.db2.gz ZQJKDQCJZHKAQM-AWEZNQCLSA-N 1 0 288.435 3.329 10 0 CGAERO C[C@@H](NC(=O)NCCC[NH2+]C1CCCCC1)C(C)(C)C ZINC000112463911 345956242 /nfs/dbraw/zinc/95/62/42/345956242.db2.gz DQOXIODCGUGWFZ-CYBMUJFWSA-N 1 0 283.460 3.033 10 0 CGAERO Clc1ccc(C[NH2+][C@@H]2C[C@H]2c2ccccc2)cn1 ZINC000113363558 345960281 /nfs/dbraw/zinc/96/02/81/345960281.db2.gz BNSQZIDIRZNRJU-UONOGXRCSA-N 1 0 258.752 3.381 10 0 CGAERO c1ccc([C@H]2C[C@H](N3CC[NH2+]CC3)c3ccccc32)cc1 ZINC000114906497 345967548 /nfs/dbraw/zinc/96/75/48/345967548.db2.gz QPABODDHXQJCDN-MOPGFXCFSA-N 1 0 278.399 3.169 10 0 CGAERO COc1ccc([C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000115310103 345970532 /nfs/dbraw/zinc/97/05/32/345970532.db2.gz HNZBMXOBIJHWLS-GUYCJALGSA-N 1 0 255.361 3.369 10 0 CGAERO COc1cc([C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1N ZINC000116482627 345978073 /nfs/dbraw/zinc/97/80/73/345978073.db2.gz ZSIHMMUDOGQOLD-MRXNPFEDSA-N 1 0 282.387 3.267 10 0 CGAERO [NH3+][C@H]1CCCC[C@H]1Oc1ccc(Br)c(F)c1 ZINC000117379565 345983244 /nfs/dbraw/zinc/98/32/44/345983244.db2.gz SPOFPVFKTWRBIN-NWDGAFQWSA-N 1 0 288.160 3.237 10 0 CGAERO NC(=[NH2+])c1cccc(OCCCCc2ccccc2)c1 ZINC000122017232 346003696 /nfs/dbraw/zinc/00/36/96/346003696.db2.gz MRWKNASTSISFJI-UHFFFAOYSA-N 1 0 268.360 3.372 10 0 CGAERO C[NH2+][C@@H]1c2cc(C)cc(Br)c2C[C@H]1C ZINC000129744330 346051809 /nfs/dbraw/zinc/05/18/09/346051809.db2.gz VTUAZWZWFWHEMS-PELKAZGASA-N 1 0 254.171 3.210 10 0 CGAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCCCC(C)(C)C ZINC000126582499 346025108 /nfs/dbraw/zinc/02/51/08/346025108.db2.gz WBSVMKUZOFDENN-MRXNPFEDSA-N 1 0 290.451 3.102 10 0 CGAERO [NH3+]C[C@H]1C[C@H]1c1ccc(Cl)cc1Br ZINC000126670608 346025868 /nfs/dbraw/zinc/02/58/68/346025868.db2.gz GISHYAUCHFQUNJ-HZGVNTEJSA-N 1 0 260.562 3.165 10 0 CGAERO C[NH2+][C@@H](C)[C@H](C)c1cc(Br)ccc1F ZINC000132288731 346070650 /nfs/dbraw/zinc/07/06/50/346070650.db2.gz JAQUMDZHXUWRAU-YUMQZZPRSA-N 1 0 260.150 3.300 10 0 CGAERO C[NH2+][C@@H]1CSC[C@H]1Cc1ccc(Br)s1 ZINC000134584894 346083203 /nfs/dbraw/zinc/08/32/03/346083203.db2.gz QZYKKDOGFJXIDG-VXNVDRBHSA-N 1 0 292.267 3.004 10 0 CGAERO [NH3+]C[C@@H]1Oc2cc(F)cc(-c3cccc(Cl)c3)c2O1 ZINC000136621586 346091816 /nfs/dbraw/zinc/09/18/16/346091816.db2.gz LXZKSFWNNPQZCK-CYBMUJFWSA-N 1 0 279.698 3.202 10 0 CGAERO Clc1ccc([C@H]2[NH2+]CCS2)cc1Br ZINC000137234643 346093040 /nfs/dbraw/zinc/09/30/40/346093040.db2.gz SYPSNRGLBRJBDK-VIFPVBQESA-N 1 0 278.602 3.438 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)c1ncc[nH]1 ZINC000139089769 346099371 /nfs/dbraw/zinc/09/93/71/346099371.db2.gz HWJMQESYYFLAJT-LPEHRKFASA-N 1 0 261.291 3.181 10 0 CGAERO CCCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2CO)cc1 ZINC000152329685 346141432 /nfs/dbraw/zinc/14/14/32/346141432.db2.gz BVYPXLRENLJBFE-DOTOQJQBSA-N 1 0 277.408 3.116 10 0 CGAERO C[NH+](C)CCOc1ccc(Br)c2c1CCCC2 ZINC000143050778 346112713 /nfs/dbraw/zinc/11/27/13/346112713.db2.gz UZGIKUIVCVMQEK-UHFFFAOYSA-N 1 0 298.224 3.268 10 0 CGAERO C[C@H]1CN(c2nc3ccc(Cl)cc3s2)[C@@H](C)C[NH2+]1 ZINC000145798163 346121400 /nfs/dbraw/zinc/12/14/00/346121400.db2.gz OJMRDOYSYIKKRQ-IUCAKERBSA-N 1 0 281.812 3.136 10 0 CGAERO C[NH2+]C[C@H]1Cc2cccc(-c3cccc(F)c3F)c2O1 ZINC000146145998 346122970 /nfs/dbraw/zinc/12/29/70/346122970.db2.gz LCRWVGGOZBLZIY-LLVKDONJSA-N 1 0 275.298 3.155 10 0 CGAERO COc1ccc(C[C@H](c2ccccc2)[C@H](C)[NH3+])cc1 ZINC000148077023 346126916 /nfs/dbraw/zinc/12/69/16/346126916.db2.gz CCACFBMXKXISEZ-GUYCJALGSA-N 1 0 255.361 3.369 10 0 CGAERO O[C@](c1ccccc1)(C1CCCCC1)C1CC[NH2+]CC1 ZINC000149159471 346130362 /nfs/dbraw/zinc/13/03/62/346130362.db2.gz YATNOIAYESPKTD-GOSISDBHSA-N 1 0 273.420 3.454 10 0 CGAERO C[C@@H]1OCC[C@H]1[N@H+](C)Cc1ccc(Br)s1 ZINC000160688697 346171249 /nfs/dbraw/zinc/17/12/49/346171249.db2.gz OWVYCFHKUJRXBD-WCBMZHEXSA-N 1 0 290.226 3.120 10 0 CGAERO C[C@@H]1C[C@]1(C[NH3+])Sc1ccccc1Br ZINC000160997025 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10 0 CGAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000090224095 165232587 /nfs/dbraw/zinc/23/25/87/165232587.db2.gz ADOPPWZLLXVZOT-CJNGLKHVSA-N 1 0 298.434 3.377 10 0 CGAERO CC(C)C[N@@H+]1CCC[C@@H]1CN[C@H](C)c1cnn(C(C)C)c1 ZINC000090773403 165243216 /nfs/dbraw/zinc/24/32/16/165243216.db2.gz VPRHYELRRAYMCK-NVXWUHKLSA-N 1 0 292.471 3.235 10 0 CGAERO COc1cc([C@H](C)[NH2+][C@H]2CN(C(C)C)C[C@@H]2C)ccc1F ZINC000090234923 287100507 /nfs/dbraw/zinc/10/05/07/287100507.db2.gz IAPROLGPHDHELP-XEZPLFJOSA-N 1 0 294.414 3.214 10 0 CGAERO CCn1cccc1CNCCC[N@H+](C)C1CCCCC1 ZINC000091025747 165253717 /nfs/dbraw/zinc/25/37/17/165253717.db2.gz IAFFMQLLCIVPLK-UHFFFAOYSA-N 1 0 277.456 3.252 10 0 CGAERO CCn1cccc1C[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000091128022 165257916 /nfs/dbraw/zinc/25/79/16/165257916.db2.gz GXJXPFAPGZRGLY-ZDUSSCGKSA-N 1 0 258.365 3.367 10 0 CGAERO OC1CC(C[NH2+]Cc2cccc(Oc3ccccc3)c2)C1 ZINC000091525568 287108536 /nfs/dbraw/zinc/10/85/36/287108536.db2.gz YWVLSGNKYLARGP-UHFFFAOYSA-N 1 0 283.371 3.339 10 0 CGAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(F)c(Cl)c1 ZINC000094449513 165351111 /nfs/dbraw/zinc/35/11/11/165351111.db2.gz IVHICJIINWLQBO-DGCLKSJQSA-N 1 0 282.790 3.148 10 0 CGAERO C[C@H]([NH2+]C1COC1)C(c1ccccc1)c1ccccc1 ZINC000094709932 165391269 /nfs/dbraw/zinc/39/12/69/165391269.db2.gz OEFVDFHAAKJHFM-AWEZNQCLSA-N 1 0 267.372 3.195 10 0 CGAERO Cc1ccc(C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)c(F)c1 ZINC000094914088 165394024 /nfs/dbraw/zinc/39/40/24/165394024.db2.gz HVAVVWILWSJKPG-LLVKDONJSA-N 1 0 272.323 3.406 10 0 CGAERO CCC[C@@H](C)[C@H](CC)[NH2+]C1CCN(c2ncccn2)CC1 ZINC000155915485 165464628 /nfs/dbraw/zinc/46/46/28/165464628.db2.gz PXSJLABTBMWJGG-ZBFHGGJFSA-N 1 0 290.455 3.250 10 0 CGAERO CC(C)[C@@H](C)CC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000170812226 165506704 /nfs/dbraw/zinc/50/67/04/165506704.db2.gz ZWFIXLZVFLCCLB-HNNXBMFYSA-N 1 0 280.456 3.003 10 0 CGAERO C[C@@H](c1cc(F)ccc1F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177775567 287129839 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C[NH+]1CCC(OC(=O)c2ccccc2)(c2ccccc2)CC1 ZINC000005248190 170079011 /nfs/dbraw/zinc/07/90/11/170079011.db2.gz LUZBNAYUEOTTJP-UHFFFAOYSA-N 1 0 295.382 3.465 10 0 CGAERO CC[C@H](c1c(C)cc(N)[nH+]c1C)n1nnc2ccccc21 ZINC000005337454 170087085 /nfs/dbraw/zinc/08/70/85/170087085.db2.gz KDEUHHKDRRIKGW-CYBMUJFWSA-N 1 0 281.363 3.025 10 0 CGAERO C[C@@H]1CCCC[N@@H+]1CCCOC(=O)c1cccs1 ZINC000006030850 170169804 /nfs/dbraw/zinc/16/98/04/170169804.db2.gz WYDBQEACYWRGIP-GFCCVEGCSA-N 1 0 267.394 3.169 10 0 CGAERO Cc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000007816544 170304151 /nfs/dbraw/zinc/30/41/51/170304151.db2.gz RNBZUAMPBKEHGK-KRWDZBQOSA-N 1 0 282.387 3.028 10 0 CGAERO CCOc1ccc([C@H]([NH3+])c2ccc(OC)c(OC)c2)cc1 ZINC000008324372 170331008 /nfs/dbraw/zinc/33/10/08/170331008.db2.gz NEOYNUVTBINXGX-KRWDZBQOSA-N 1 0 287.359 3.151 10 0 CGAERO CCCCOc1ccc(OC[C@H](C[NH2+]C(C)C)OC)cc1 ZINC000013743783 170586534 /nfs/dbraw/zinc/58/65/34/170586534.db2.gz RVGCVBUPAVUFFD-KRWDZBQOSA-N 1 0 295.423 3.257 10 0 CGAERO NC(=[NH2+])Cc1ccc(OCc2ccc(Cl)s2)cc1 ZINC000019425338 170794541 /nfs/dbraw/zinc/79/45/41/170794541.db2.gz JLZWELUJYRYMIE-UHFFFAOYSA-N 1 0 280.780 3.459 10 0 CGAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Oc1cc(C[NH3+])ccn1 ZINC000019803267 170871477 /nfs/dbraw/zinc/87/14/77/170871477.db2.gz JKMXNUAELLXCGZ-YUELXQCFSA-N 1 0 262.397 3.380 10 0 CGAERO CC(C)[NH+]1CCC(Nc2ccc(F)c(F)c2F)CC1 ZINC000019907538 170919536 /nfs/dbraw/zinc/91/95/36/170919536.db2.gz PATUDZQLTCMVDW-UHFFFAOYSA-N 1 0 272.314 3.389 10 0 CGAERO [NH3+][C@@H](Cc1ccc(F)cc1)c1ccc2c(c1)CCO2 ZINC000019971051 170954313 /nfs/dbraw/zinc/95/43/13/170954313.db2.gz ORNBXDAFKLCHIT-HNNXBMFYSA-N 1 0 257.308 3.003 10 0 CGAERO C[C@H]([NH2+]Cc1ccncc1)c1ccc(-n2ccnc2)cc1 ZINC000020140548 171026883 /nfs/dbraw/zinc/02/68/83/171026883.db2.gz NWQHXJHSRUSDBR-AWEZNQCLSA-N 1 0 278.359 3.118 10 0 CGAERO CC(C)[C@@H](C[NH2+]Cc1cccc(Br)c1)N(C)C ZINC000020145420 171030310 /nfs/dbraw/zinc/03/03/10/171030310.db2.gz FFDKMKVPLHZUDF-CQSZACIVSA-N 1 0 299.256 3.125 10 0 CGAERO CN(C)[C@@H](C[NH2+]CCc1ccccc1)c1cccs1 ZINC000020147552 171034624 /nfs/dbraw/zinc/03/46/24/171034624.db2.gz JLAWYBVIJWJOAJ-HNNXBMFYSA-N 1 0 274.433 3.183 10 0 CGAERO C[C@H]([NH2+][C@H]1COc2cc(O)ccc21)c1cccc(F)c1 ZINC000020147981 171035054 /nfs/dbraw/zinc/03/50/54/171035054.db2.gz PVRKABJUBCSMNA-BONVTDFDSA-N 1 0 273.307 3.316 10 0 CGAERO COc1ccc(OC[C@@H]2CCC[NH2+]2)c(C(C)(C)C)c1 ZINC000020221635 171083205 /nfs/dbraw/zinc/08/32/05/171083205.db2.gz SWKPFNMWRZSHSS-LBPRGKRZSA-N 1 0 263.381 3.124 10 0 CGAERO CN(Cc1cccc(Cl)c1)[C@@H](C[NH3+])c1ccco1 ZINC000020225254 171087121 /nfs/dbraw/zinc/08/71/21/171087121.db2.gz SHLXFJWAFMPJJM-ZDUSSCGKSA-N 1 0 264.756 3.065 10 0 CGAERO CN(CCc1ccccc1)[C@H](C[NH3+])c1ccccc1F ZINC000020225633 171088284 /nfs/dbraw/zinc/08/82/84/171088284.db2.gz FSDWHOXRNJMNKZ-QGZVFWFLSA-N 1 0 272.367 3.000 10 0 CGAERO Cc1ccccc1CN(CCC[NH3+])c1ccccc1 ZINC000020236871 171096098 /nfs/dbraw/zinc/09/60/98/171096098.db2.gz LNEDYRGXAAUAFH-UHFFFAOYSA-N 1 0 254.377 3.350 10 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CC(C)CC[NH+]1CCN(C(=O)Nc2ccccc2F)CC1 ZINC000020541379 171241948 /nfs/dbraw/zinc/24/19/48/171241948.db2.gz QJDHLUZXSIFOAY-UHFFFAOYSA-N 1 0 293.386 3.021 10 0 CGAERO [NH3+]CC1(N2CCOCC2)CCCCCCCCCCC1 ZINC000020558712 171251270 /nfs/dbraw/zinc/25/12/70/171251270.db2.gz SHYSMXRWBFCCRW-UHFFFAOYSA-N 1 0 282.472 3.321 10 0 CGAERO C[NH2+]Cc1cc(Cl)c(OCc2cccnc2)c(OC)c1 ZINC000020875382 171277353 /nfs/dbraw/zinc/27/73/53/171277353.db2.gz ASBAAJUUBVSDGS-UHFFFAOYSA-N 1 0 292.766 3.042 10 0 CGAERO COc1c(Cl)cc(C[NH2+]CCCCCO)cc1Cl ZINC000020928668 171280654 /nfs/dbraw/zinc/28/06/54/171280654.db2.gz XOTRSMINMHJFQU-UHFFFAOYSA-N 1 0 292.206 3.254 10 0 CGAERO CC(C)(C)[C@H]([NH3+])COc1ccccc1C(F)(F)F ZINC000021816502 171332344 /nfs/dbraw/zinc/33/23/44/171332344.db2.gz HWKQXWUSRKASBO-LLVKDONJSA-N 1 0 261.287 3.458 10 0 CGAERO Cn1cc(CC[NH3+])c2ccc(OCc3ccccc3)cc21 ZINC000022001225 171348345 /nfs/dbraw/zinc/34/83/45/171348345.db2.gz ZAPGKOBITMUPMY-UHFFFAOYSA-N 1 0 280.371 3.259 10 0 CGAERO Cc1ccc([C@H](c2ccccc2)N2CC[NH2+]CC2)c(C)c1 ZINC000022126484 171354182 /nfs/dbraw/zinc/35/41/82/171354182.db2.gz JXSFAVUSPQWNTB-IBGZPJMESA-N 1 0 280.415 3.298 10 0 CGAERO CCC[NH+](CCC)[C@@H](C)C(=O)Nc1cc(Cl)ccc1N ZINC000022153830 171360521 /nfs/dbraw/zinc/36/05/21/171360521.db2.gz VKRNHKBFCOIQMA-NSHDSACASA-N 1 0 297.830 3.371 10 0 CGAERO Cc1ccc(N)cc1NC(=O)CCC[N@H+]1CCCC[C@H]1C ZINC000022153816 171360731 /nfs/dbraw/zinc/36/07/31/171360731.db2.gz MLOAHBKZVFRCGL-CQSZACIVSA-N 1 0 289.423 3.170 10 0 CGAERO C[C@H](C(=O)Nc1cc(Cl)ccc1N)[NH+]1CCCCCC1 ZINC000022153563 171360828 /nfs/dbraw/zinc/36/08/28/171360828.db2.gz DRIVHFXJFZBKHV-LLVKDONJSA-N 1 0 295.814 3.125 10 0 CGAERO Cc1c(N)cccc1NC(=O)CCC[N@H+]1CCCC[C@@H]1C ZINC000022156468 171362986 /nfs/dbraw/zinc/36/29/86/171362986.db2.gz FOYKGYNLPWWBGC-ZDUSSCGKSA-N 1 0 289.423 3.170 10 0 CGAERO Cc1cc(N)ccc1NC(=O)CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000022173019 171369017 /nfs/dbraw/zinc/36/90/17/171369017.db2.gz KSSRYBZUZGBANL-OKILXGFUSA-N 1 0 289.423 3.169 10 0 CGAERO CC(C)N(C)[C@@H](C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000022175209 171370048 /nfs/dbraw/zinc/37/00/48/171370048.db2.gz NNAAMTBPOFERFG-LBPRGKRZSA-N 1 0 260.303 3.045 10 0 CGAERO Cc1ccc(N)cc1NC(=O)CC[NH+]1[C@H](C)CCC[C@H]1C ZINC000022212542 171373759 /nfs/dbraw/zinc/37/37/59/171373759.db2.gz KJKLZMCMRBJBAE-ZIAGYGMSSA-N 1 0 289.423 3.169 10 0 CGAERO CCCN(CCC)[C@@H](C[NH3+])c1ccc(F)cc1F ZINC000022214226 171375124 /nfs/dbraw/zinc/37/51/24/171375124.db2.gz XUKPJRGYXRWWAJ-AWEZNQCLSA-N 1 0 256.340 3.087 10 0 CGAERO C[C@@H]([NH3+])c1ccc(NC(=O)NC2CCCCC2)cc1 ZINC000022217113 171375875 /nfs/dbraw/zinc/37/58/75/171375875.db2.gz CINOPARULDHJQT-LLVKDONJSA-N 1 0 261.369 3.161 10 0 CGAERO Cc1ccc(C)c([C@H]([NH3+])CN2CCc3ccccc3C2)c1 ZINC000022562801 171391154 /nfs/dbraw/zinc/39/11/54/171391154.db2.gz BOZAOHZZTKRWBF-LJQANCHMSA-N 1 0 280.415 3.362 10 0 CGAERO [NH3+][C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1OCC(F)(F)F ZINC000022565145 171392159 /nfs/dbraw/zinc/39/21/59/171392159.db2.gz WNTKJLMOEHTZAW-UPJWGTAASA-N 1 0 273.298 3.229 10 0 CGAERO CCCc1ccc([C@@H]([NH3+])COCC(F)(F)F)cc1 ZINC000023067008 171407890 /nfs/dbraw/zinc/40/78/90/171407890.db2.gz MATPWGMFQJUJPV-LBPRGKRZSA-N 1 0 261.287 3.218 10 0 CGAERO COc1ccc([C@@H]([NH3+])[C@@H](C)Oc2cccc(OC)c2)cc1 ZINC000023068872 171409583 /nfs/dbraw/zinc/40/95/83/171409583.db2.gz QJHIBZQVZLXCHN-PXAZEXFGSA-N 1 0 287.359 3.171 10 0 CGAERO COc1ccc([C@H](C[NH3+])Oc2ccccc2C)cc1 ZINC000032110276 171702412 /nfs/dbraw/zinc/70/24/12/171702412.db2.gz SUPYJZLLCYIYBU-INIZCTEOSA-N 1 0 257.333 3.082 10 0 CGAERO CCC[NH2+]Cc1cccc(OCc2ccncc2)c1 ZINC000034816484 171869692 /nfs/dbraw/zinc/86/96/92/171869692.db2.gz JWZJNQGOJCZMEL-UHFFFAOYSA-N 1 0 256.349 3.160 10 0 CGAERO C[C@H]([NH2+][C@@H](C)c1cccs1)C(=O)N1CCCCCC1 ZINC000035139690 172008463 /nfs/dbraw/zinc/00/84/63/172008463.db2.gz OPZJLHXRQGVMGN-STQMWFEESA-N 1 0 280.437 3.190 10 0 CGAERO CCOCC[NH2+][C@H](c1ccccc1)c1ccc(O)cc1 ZINC000035151381 172014452 /nfs/dbraw/zinc/01/44/52/172014452.db2.gz OQHCVIDPGPEKSM-QGZVFWFLSA-N 1 0 271.360 3.108 10 0 CGAERO Cc1ccc(C[NH2+]CC(=O)Nc2c(F)cccc2F)cc1 ZINC000035159779 172018007 /nfs/dbraw/zinc/01/80/07/172018007.db2.gz SUQRUYWNNKCGHA-UHFFFAOYSA-N 1 0 290.313 3.002 10 0 CGAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]CC(=O)Nc1c(F)cccc1F ZINC000035159912 172018119 /nfs/dbraw/zinc/01/81/19/172018119.db2.gz VJPQBLUVPOJORV-WDMOLILDSA-N 1 0 296.361 3.318 10 0 CGAERO CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H](c1cccs1)C(C)C ZINC000035224709 172069785 /nfs/dbraw/zinc/06/97/85/172069785.db2.gz ZDBGAOPTDXIYTJ-TZMCWYRMSA-N 1 0 282.453 3.292 10 0 CGAERO FC(F)(F)CO[C@@H]1CCC[C@@H]([NH2+]C2CCCC2)C1 ZINC000035273379 172093329 /nfs/dbraw/zinc/09/33/29/172093329.db2.gz AUMSFOFWNWJTCZ-VXGBXAGGSA-N 1 0 265.319 3.409 10 0 CGAERO Cc1cc([C@@H]([NH3+])c2ccc3c(c2)C[C@@H](C)O3)c(C)o1 ZINC000035382590 172165223 /nfs/dbraw/zinc/16/52/23/172165223.db2.gz LXLKTUUWADMYCL-ABKXIKBNSA-N 1 0 257.333 3.268 10 0 CGAERO CCCCCN(C)c1nc2sccn2c1C[NH2+]CC ZINC000035430248 172199276 /nfs/dbraw/zinc/19/92/76/172199276.db2.gz YNFNQTZCFXGKHK-UHFFFAOYSA-N 1 0 280.441 3.132 10 0 CGAERO C[NH2+][C@H](c1ccc(C)cc1)[C@@H]1Cc2ccccc2O1 ZINC000035466212 172213778 /nfs/dbraw/zinc/21/37/78/172213778.db2.gz HFMLMCSBQKHOBS-DLBZAZTESA-N 1 0 253.345 3.259 10 0 CGAERO CCC[NH2+][C@@H](CCc1ccccc1)c1cnn(C)c1 ZINC000035584260 172283156 /nfs/dbraw/zinc/28/31/56/172283156.db2.gz SMDGSXNCMSCVNU-INIZCTEOSA-N 1 0 257.381 3.094 10 0 CGAERO CCC[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(C)cc1[C@@H](C)[NH3+] ZINC000035629282 172309045 /nfs/dbraw/zinc/30/90/45/172309045.db2.gz DICIPHYTAULZPS-MGPQQGTHSA-N 1 0 292.423 3.087 10 0 CGAERO CC[NH2+][C@H](C)c1ccccc1NC(=O)c1ccco1 ZINC000035643729 172321346 /nfs/dbraw/zinc/32/13/46/172321346.db2.gz XOOGSXPAXKLXGL-LLVKDONJSA-N 1 0 258.321 3.202 10 0 CGAERO CCC[NH2+][C@H]1CCOc2c(F)cc(Br)cc21 ZINC000035653874 172330480 /nfs/dbraw/zinc/33/04/80/172330480.db2.gz YXFKIUYKBGVTBB-NSHDSACASA-N 1 0 288.160 3.411 10 0 CGAERO CC[NH2+][C@H]1COc2c1cc(Cl)cc2Br ZINC000035655130 172331678 /nfs/dbraw/zinc/33/16/78/172331678.db2.gz TXFCSTPCXJOQCW-VIFPVBQESA-N 1 0 276.561 3.146 10 0 CGAERO COc1cc(C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)ccc1O ZINC000037021656 172885819 /nfs/dbraw/zinc/88/58/19/172885819.db2.gz TVTBUUHEKURQES-YRGRVCCFSA-N 1 0 263.381 3.315 10 0 CGAERO CC[NH+](CC)CCNc1nc2cc(F)ccc2s1 ZINC000037206229 173027553 /nfs/dbraw/zinc/02/75/53/173027553.db2.gz GZPOLTZNHCYVEC-UHFFFAOYSA-N 1 0 267.373 3.189 10 0 CGAERO CCc1ccc([C@H]([NH3+])[C@@H](C)n2nc(C)cc2C)cc1 ZINC000037223918 173044934 /nfs/dbraw/zinc/04/49/34/173044934.db2.gz HTABMIMPXBTYEH-CZUORRHYSA-N 1 0 257.381 3.323 10 0 CGAERO c1ccc2c(c1)CSC[C@H]2[NH2+]CCCOCC1CC1 ZINC000037237290 173055284 /nfs/dbraw/zinc/05/52/84/173055284.db2.gz XIFWGKPXFCMVOP-MRXNPFEDSA-N 1 0 277.433 3.381 10 0 CGAERO CCC[NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000037240684 173057009 /nfs/dbraw/zinc/05/70/09/173057009.db2.gz ZKHLTZWAHIPJKW-LBPRGKRZSA-N 1 0 272.314 3.284 10 0 CGAERO CSCc1ccc(CNC[C@H](CC(C)C)[NH+](C)C)o1 ZINC000037241030 173057756 /nfs/dbraw/zinc/05/77/56/173057756.db2.gz ALVOXBMUGWCJJN-ZDUSSCGKSA-N 1 0 284.469 3.209 10 0 CGAERO CCC(CC)[C@H](CN[C@H](C)c1scnc1C)[NH+](C)C ZINC000037241189 173058169 /nfs/dbraw/zinc/05/81/69/173058169.db2.gz OIROQMYLSSYWEH-RISCZKNCSA-N 1 0 283.485 3.469 10 0 CGAERO COc1cc(C)ccc1[C@@H](C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000037242740 173058505 /nfs/dbraw/zinc/05/85/05/173058505.db2.gz MPJSALHDLSPDMU-NFAWXSAZSA-N 1 0 263.381 3.222 10 0 CGAERO Cc1ccc([C@H](C[NH3+])N(C)Cc2ccc(C)cc2)s1 ZINC000037328320 173128725 /nfs/dbraw/zinc/12/87/25/173128725.db2.gz FOERYIOBLBUZPQ-HNNXBMFYSA-N 1 0 274.433 3.497 10 0 CGAERO CC[C@@H](C)[N@H+](CC)CC(=O)c1ccc(C)cc1OC ZINC000037336546 173137878 /nfs/dbraw/zinc/13/78/78/173137878.db2.gz RSTCGVGJXVFKPM-CYBMUJFWSA-N 1 0 263.381 3.307 10 0 CGAERO O[C@H](c1cc(Cl)ccc1Cl)C1CC[NH2+]CC1 ZINC000037378774 173166802 /nfs/dbraw/zinc/16/68/02/173166802.db2.gz OFGCLEJGZFCTFR-LBPRGKRZSA-N 1 0 260.164 3.026 10 0 CGAERO CC[NH2+][C@@H](c1cc(OC)c(OC)cc1C)C(C)C ZINC000037409624 173185683 /nfs/dbraw/zinc/18/56/83/173185683.db2.gz ISFMUAJDIMQMRN-OAHLLOKOSA-N 1 0 251.370 3.319 10 0 CGAERO CCOc1ccc(C(=O)C[N@H+](C)[C@@H](C)C(C)C)cc1 ZINC000037415183 173191775 /nfs/dbraw/zinc/19/17/75/173191775.db2.gz VHDYDNLLLSYTAM-ZDUSSCGKSA-N 1 0 263.381 3.244 10 0 CGAERO CCOc1cccc([C@@H]([NH3+])c2ccc(OC)cc2)c1 ZINC000037533343 173253906 /nfs/dbraw/zinc/25/39/06/173253906.db2.gz MQBAMYACXFDQFJ-INIZCTEOSA-N 1 0 257.333 3.142 10 0 CGAERO CCC[NH2+][C@@H](Cc1cccc(Cl)c1)c1cnccn1 ZINC000037536068 173254916 /nfs/dbraw/zinc/25/49/16/173254916.db2.gz LEPJLSYAUWJVJR-AWEZNQCLSA-N 1 0 275.783 3.413 10 0 CGAERO CCC[NH2+][C@H](CCc1ccccc1)c1ncccn1 ZINC000037536383 173255032 /nfs/dbraw/zinc/25/50/32/173255032.db2.gz MQZNUSDRNDZWDY-OAHLLOKOSA-N 1 0 255.365 3.150 10 0 CGAERO CC(C)[NH2+]Cc1cc(F)ccc1N1CCC[C@@H]1C ZINC000037911823 173844970 /nfs/dbraw/zinc/84/49/70/173844970.db2.gz PMPLQKXOTDDLSB-LBPRGKRZSA-N 1 0 250.361 3.312 10 0 CGAERO [NH3+][C@H]1CCCC[C@H]1NC(=O)Nc1cccc2ccccc21 ZINC000038049863 174061039 /nfs/dbraw/zinc/06/10/39/174061039.db2.gz JIYGFMSRCQPDJH-GOEBONIOSA-N 1 0 283.375 3.231 10 0 CGAERO CC[NH2+][C@@H](C)c1cc(F)ccc1-n1cc(Cl)cn1 ZINC000038053644 174064954 /nfs/dbraw/zinc/06/49/54/174064954.db2.gz XYKWNLZEHQCADU-VIFPVBQESA-N 1 0 267.735 3.335 10 0 CGAERO C[NH2+][C@H](c1ccsc1)c1ccc2c(c1)CCCO2 ZINC000038057892 174067958 /nfs/dbraw/zinc/06/79/58/174067958.db2.gz NDNDIICHWMRZPS-HNNXBMFYSA-N 1 0 259.374 3.382 10 0 CGAERO C[NH2+][C@H](c1ccc(C)o1)c1ccc2c(c1)CCCO2 ZINC000038057895 174068321 /nfs/dbraw/zinc/06/83/21/174068321.db2.gz JFZXTMCWYQCXNZ-INIZCTEOSA-N 1 0 257.333 3.222 10 0 CGAERO [NH3+]Cc1ccc(-c2cnc3ccccc3c2)cc1F ZINC000038069832 174081066 /nfs/dbraw/zinc/08/10/66/174081066.db2.gz WMDKJQJLITWBRT-UHFFFAOYSA-N 1 0 252.292 3.500 10 0 CGAERO COc1cc(F)c(-c2cc(C[NH3+])ccc2F)c(F)c1 ZINC000038072018 174082510 /nfs/dbraw/zinc/08/25/10/174082510.db2.gz GSJFQHANVQVIKP-UHFFFAOYSA-N 1 0 267.250 3.238 10 0 CGAERO C[NH2+]Cc1cc(-c2cc(F)ccc2OC)ccc1F ZINC000038073405 174083451 /nfs/dbraw/zinc/08/34/51/174083451.db2.gz QNGHSUUWHOKJOJ-UHFFFAOYSA-N 1 0 263.287 3.360 10 0 CGAERO C[C@@H](NC(=O)C1CCC([NH3+])CC1)c1cccc(Cl)c1 ZINC000038092744 174107010 /nfs/dbraw/zinc/10/70/10/174107010.db2.gz KUIQRSOBEJFMNI-CDWSIMAYSA-N 1 0 280.799 3.035 10 0 CGAERO CC(C)=CCN1CCC([NH2+]CCCC(C)C)CC1 ZINC000038093680 174107664 /nfs/dbraw/zinc/10/76/64/174107664.db2.gz VZBZDUNJXNERMO-UHFFFAOYSA-N 1 0 252.446 3.443 10 0 CGAERO CCCC[C@@H]([NH3+])c1nc2ccccc2n1CCOCC ZINC000040163844 174196966 /nfs/dbraw/zinc/19/69/66/174196966.db2.gz SGMNWWWQTSQOSF-CYBMUJFWSA-N 1 0 275.396 3.263 10 0 CGAERO [NH3+]CCc1csc(Cc2c(F)cccc2Cl)n1 ZINC000041392635 174545383 /nfs/dbraw/zinc/54/53/83/174545383.db2.gz PKAKLHNHECPTMH-UHFFFAOYSA-N 1 0 270.760 3.028 10 0 CGAERO [NH3+]CCc1csc(-c2ccc(Br)s2)n1 ZINC000041465406 174556706 /nfs/dbraw/zinc/55/67/06/174556706.db2.gz XBRVPCVAWYDMOV-UHFFFAOYSA-N 1 0 289.223 3.135 10 0 CGAERO C[NH2+]Cc1cc(-c2cnn(-c3ccccc3)c2)cs1 ZINC000042402174 174710350 /nfs/dbraw/zinc/71/03/50/174710350.db2.gz RLCQGUROXJLDGM-UHFFFAOYSA-N 1 0 269.373 3.320 10 0 CGAERO CCCCCN(C(C)C)[C@@H](CC[NH3+])C(F)(F)F ZINC000042554490 174792037 /nfs/dbraw/zinc/79/20/37/174792037.db2.gz JINFGQGGTGKETD-NSHDSACASA-N 1 0 254.340 3.167 10 0 CGAERO Cc1ccc([C@@H](Sc2nncs2)[C@H](C)[NH3+])cc1 ZINC000042912068 174910544 /nfs/dbraw/zinc/91/05/44/174910544.db2.gz PRPYFMNDGLGHEG-ONGXEEELSA-N 1 0 265.407 3.027 10 0 CGAERO CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)N1CCCC1 ZINC000043019798 174944700 /nfs/dbraw/zinc/94/47/00/174944700.db2.gz UDCYSCCMUJSEOD-KBPBESRZSA-N 1 0 297.240 3.323 10 0 CGAERO CC[C@H]([NH3+])[C@@H](Sc1nncn1C)c1ccccc1Cl ZINC000043089302 174963635 /nfs/dbraw/zinc/96/36/35/174963635.db2.gz LTJDVCAVDTYSBQ-RYUDHWBXSA-N 1 0 296.827 3.039 10 0 CGAERO C[C@H]([NH3+])[C@@H](c1ccccc1Br)N1CCCCC1 ZINC000043090555 174964224 /nfs/dbraw/zinc/96/42/24/174964224.db2.gz AEKBRWUYVGMXJW-FZMZJTMJSA-N 1 0 297.240 3.323 10 0 CGAERO C[C@@H]([NH3+])[C@H](c1cccs1)N1CCc2sccc2C1 ZINC000043102295 174967892 /nfs/dbraw/zinc/96/78/92/174967892.db2.gz YNTBLRWZHAXIOH-QMTHXVAHSA-N 1 0 278.446 3.256 10 0 CGAERO CCCCN(CC[NH3+])Cc1sccc1Br ZINC000043675815 175088477 /nfs/dbraw/zinc/08/84/77/175088477.db2.gz FGYJZLIEVFASPM-UHFFFAOYSA-N 1 0 291.258 3.071 10 0 CGAERO COc1ccc(OC)c([C@@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000044121620 175143304 /nfs/dbraw/zinc/14/33/04/175143304.db2.gz CINIZUCODDSNLD-XEZPLFJOSA-N 1 0 293.407 3.000 10 0 CGAERO [NH3+]Cc1csc(Cc2c(Cl)cccc2Cl)n1 ZINC000044267829 175157687 /nfs/dbraw/zinc/15/76/87/175157687.db2.gz SEEOSVBAYKPPJX-UHFFFAOYSA-N 1 0 273.188 3.499 10 0 CGAERO CC(C)c1ccccc1NC(=O)C1(C[NH3+])CCCC1 ZINC000044762127 175246248 /nfs/dbraw/zinc/24/62/48/175246248.db2.gz ZNMAFBYLSQJBFO-UHFFFAOYSA-N 1 0 260.381 3.268 10 0 CGAERO CC(C)[NH2+]Cc1nn(C(C)C)nc1-c1ccccc1 ZINC000045944907 175387160 /nfs/dbraw/zinc/38/71/60/175387160.db2.gz GCDJUKJAZIWEIT-UHFFFAOYSA-N 1 0 258.369 3.024 10 0 CGAERO CCCn1cc(C[NH2+]CCCCCO)c2ccccc21 ZINC000045945265 175387771 /nfs/dbraw/zinc/38/77/71/175387771.db2.gz QTVAHVDRTZXXTB-UHFFFAOYSA-N 1 0 274.408 3.304 10 0 CGAERO NC(=[NH2+])CCCCOc1ccc(C(F)(F)F)cc1 ZINC000049579968 175489285 /nfs/dbraw/zinc/48/92/85/175489285.db2.gz PDLUPXJZSVCFOG-UHFFFAOYSA-N 1 0 260.259 3.190 10 0 CGAERO CCCCCOC[C@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052645606 175536593 /nfs/dbraw/zinc/53/65/93/175536593.db2.gz AGVAUWCOWNYMME-UONOGXRCSA-N 1 0 257.418 3.129 10 0 CGAERO CCC[NH2+][C@H]1CCC[C@H]1Oc1cc(F)ccc1F ZINC000071167686 176049297 /nfs/dbraw/zinc/04/92/97/176049297.db2.gz OCDXQXUWAGKUEN-QWHCGFSZSA-N 1 0 255.308 3.264 10 0 CGAERO Cc1ccsc1[C@H](C[NH3+])Oc1cc(F)ccc1F ZINC000071167293 176049482 /nfs/dbraw/zinc/04/94/82/176049482.db2.gz SRTKLXMUUVPWKW-LBPRGKRZSA-N 1 0 269.316 3.414 10 0 CGAERO CCCc1ccc([C@H](C)N(CC)[C@@H]2CC[NH2+]C2)cc1 ZINC000071311920 176118772 /nfs/dbraw/zinc/11/87/72/176118772.db2.gz GXHJUKBTOXAMRE-WMLDXEAASA-N 1 0 260.425 3.384 10 0 CGAERO CCc1ccc([C@@H](C)N(CC)[C@@H]2CC[NH2+]C2)s1 ZINC000071312351 176119232 /nfs/dbraw/zinc/11/92/32/176119232.db2.gz TYYNLALNNOMLRU-VXGBXAGGSA-N 1 0 252.427 3.055 10 0 CGAERO CCCn1c(C[NH3+])nnc1SCc1cccc(Cl)c1 ZINC000071375135 176140683 /nfs/dbraw/zinc/14/06/83/176140683.db2.gz LRYPFPHAFSTJSL-UHFFFAOYSA-N 1 0 296.827 3.093 10 0 CGAERO CCCc1cc(C2CC2)nc(C2([NH3+])CCCCC2)n1 ZINC000071398245 176151874 /nfs/dbraw/zinc/15/18/74/176151874.db2.gz ICJRHGYBXFFEBE-UHFFFAOYSA-N 1 0 259.397 3.425 10 0 CGAERO C[C@H]([NH3+])C1(Cc2cccc(Br)c2)CC1 ZINC000071575406 176202947 /nfs/dbraw/zinc/20/29/47/176202947.db2.gz ZRLSXCDHLCIEEK-VIFPVBQESA-N 1 0 254.171 3.119 10 0 CGAERO CCN(Cc1ccccc1)c1cccc(F)c1C[NH3+] ZINC000071584447 176208935 /nfs/dbraw/zinc/20/89/35/176208935.db2.gz SDIRAMFUJKCYHD-UHFFFAOYSA-N 1 0 258.340 3.311 10 0 CGAERO C[NH2+]C[C@@H](OC)c1cc(C(C)(C)C)c(OC)cc1C ZINC000071598037 176221551 /nfs/dbraw/zinc/22/15/51/176221551.db2.gz VFNJBMIKVRLCGF-OAHLLOKOSA-N 1 0 265.397 3.208 10 0 CGAERO C[NH2+][C@@H](C(C)C)[C@@H](O)c1cc(C(C)C)ccc1OC ZINC000071597983 176221644 /nfs/dbraw/zinc/22/16/44/176221644.db2.gz AUBUHJLEMBYMEB-HOTGVXAUSA-N 1 0 265.397 3.096 10 0 CGAERO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C(C)(C)C ZINC000073654595 176482948 /nfs/dbraw/zinc/48/29/48/176482948.db2.gz FJKDKNOLJKECET-RYUDHWBXSA-N 1 0 270.417 3.020 10 0 CGAERO CCc1cccc(C)c1N(CC[NH3+])Cc1ccco1 ZINC000076667742 177051448 /nfs/dbraw/zinc/05/14/48/177051448.db2.gz UQCIHPGSAMGEJK-UHFFFAOYSA-N 1 0 258.365 3.116 10 0 CGAERO CCc1ccccc1N(CC[NH3+])Cc1cccs1 ZINC000076671355 177053760 /nfs/dbraw/zinc/05/37/60/177053760.db2.gz CFKFUQSWEOZWPH-UHFFFAOYSA-N 1 0 260.406 3.276 10 0 CGAERO [NH3+]CC[C@@H](COc1cccc(Cl)c1)c1cc[nH]c1 ZINC000076680599 177058366 /nfs/dbraw/zinc/05/83/66/177058366.db2.gz YPLIFOJRJZSLPP-LBPRGKRZSA-N 1 0 264.756 3.180 10 0 CGAERO CCC[C@H](CC[NH3+])C(=O)Nc1cc(Cl)ccc1C ZINC000076705926 177065557 /nfs/dbraw/zinc/06/55/57/177065557.db2.gz FUPXBGMKKLRDRH-LLVKDONJSA-N 1 0 268.788 3.352 10 0 CGAERO CC[C@@H](CCC[NH3+])C(=O)Nc1ccc(F)c(Cl)c1 ZINC000076715611 177069206 /nfs/dbraw/zinc/06/92/06/177069206.db2.gz PWQWJKDOPGJNHA-VIFPVBQESA-N 1 0 272.751 3.183 10 0 CGAERO CC[C@H](C[NH3+])CC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000076722314 177069704 /nfs/dbraw/zinc/06/97/04/177069704.db2.gz FFDMTUSHDPKRRB-QMMMGPOBSA-N 1 0 275.179 3.307 10 0 CGAERO CC[NH2+]CCc1csc(-c2ccc(F)c(F)c2)n1 ZINC000076783298 177091424 /nfs/dbraw/zinc/09/14/24/177091424.db2.gz RKFDLRPXFYWNTP-UHFFFAOYSA-N 1 0 268.332 3.240 10 0 CGAERO C[NH2+][C@@H](C)c1csc(Cc2ccccc2OC)n1 ZINC000076784769 177092464 /nfs/dbraw/zinc/09/24/64/177092464.db2.gz UYPKGZBCCNNYEA-JTQLQIEISA-N 1 0 262.378 3.023 10 0 CGAERO CC[NH2+]Cc1oc2c(cccc2Cl)c1COC ZINC000077069194 177184203 /nfs/dbraw/zinc/18/42/03/177184203.db2.gz VQLFXEJSWVUVTA-UHFFFAOYSA-N 1 0 253.729 3.342 10 0 CGAERO CC[C@@H](NC(=O)[C@H]([NH3+])Cc1ccccc1)C1CCCCC1 ZINC000052342713 416479320 /nfs/dbraw/zinc/47/93/20/416479320.db2.gz QZKOHUHSZGULHX-IAGOWNOFSA-N 1 0 288.435 3.032 10 0 CGAERO C[C@]1(CNc2nccc3ccccc32)CCC[NH2+]C1 ZINC000129410329 416513262 /nfs/dbraw/zinc/51/32/62/416513262.db2.gz ULKXCTKUPWJFNE-INIZCTEOSA-N 1 0 255.365 3.036 10 0 CGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1(CO)CCC1 ZINC000680355407 543703294 /nfs/dbraw/zinc/70/32/94/543703294.db2.gz YAJQPZVQKWYHHJ-QLFBSQMISA-N 1 0 253.430 3.199 10 0 CGAERO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ncc(Cl)s1 ZINC000681165467 543771256 /nfs/dbraw/zinc/77/12/56/543771256.db2.gz BMUBGPONMFBWKO-VXGBXAGGSA-N 1 0 299.871 3.245 10 0 CGAERO C[C@@H]([NH2+][C@H]1CC(=O)N(C)c2ccccc21)C(C)(C)C ZINC000130977853 287367927 /nfs/dbraw/zinc/36/79/27/287367927.db2.gz WMXMZPPDTWHAGT-YPMHNXCESA-N 1 0 260.381 3.118 10 0 CGAERO C[N@H+](C[C@@H](O)COC(C)(C)C)C1CCC(C)(C)CC1 ZINC000131923689 287393175 /nfs/dbraw/zinc/39/31/75/287393175.db2.gz PHOZVRHMNSJQCZ-CQSZACIVSA-N 1 0 271.445 3.063 10 0 CGAERO CC(C)[C@@H]1C[NH2+][C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000725255598 544113416 /nfs/dbraw/zinc/11/34/16/544113416.db2.gz FQUHXTWUKWTFNR-XJKSGUPXSA-N 1 0 282.428 3.022 10 0 CGAERO CC[C@H]([NH2+]C1CC(CO)C1)c1cccc(Cl)c1 ZINC000658351915 418946926 /nfs/dbraw/zinc/94/69/26/418946926.db2.gz QWFNIZLTKHAHQU-DBRPNBKGSA-N 1 0 253.773 3.152 10 0 CGAERO OCC1CC([NH2+][C@@H](c2cccs2)C2CCCC2)C1 ZINC000658352867 418947311 /nfs/dbraw/zinc/94/73/11/418947311.db2.gz BKRAKQWVUNTQEG-ABIUDSBCSA-N 1 0 265.422 3.340 10 0 CGAERO CN(C(=O)[C@H]1CC[C@@H]([NH3+])C1)C1CC(C)(C)CC(C)(C)C1 ZINC000659346373 418979129 /nfs/dbraw/zinc/97/91/29/418979129.db2.gz CODCBUAMOCUENM-QWHCGFSZSA-N 1 0 280.456 3.177 10 0 CGAERO CC(C)=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000660465449 419148311 /nfs/dbraw/zinc/14/83/11/419148311.db2.gz RNPTXJFOLKRWKA-BZUAXINKSA-N 1 0 251.414 3.358 10 0 CGAERO C[N@H+](C[C@@H]1CCC[C@H](O)C1)C1CCC(F)(F)CC1 ZINC000660557628 419162573 /nfs/dbraw/zinc/16/25/73/419162573.db2.gz MXJNTVMOOFJZOP-YPMHNXCESA-N 1 0 261.356 3.047 10 0 CGAERO Fc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c(F)c1F ZINC000657499279 419295365 /nfs/dbraw/zinc/29/53/65/419295365.db2.gz CCDVMNBAQPCHFJ-MKPLZMMCSA-N 1 0 255.283 3.382 10 0 CGAERO Cc1c[nH+]ccc1N[C@H](C)COCc1ccccc1 ZINC000192631782 287603065 /nfs/dbraw/zinc/60/30/65/287603065.db2.gz UZMGCLUQVXQNQN-CQSZACIVSA-N 1 0 256.349 3.407 10 0 CGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H](CN(C)C)c2ccccc2)C1(C)C ZINC000085380190 260203477 /nfs/dbraw/zinc/20/34/77/260203477.db2.gz NROODOSPFXMFJR-GVDBMIGSSA-N 1 0 290.451 3.083 10 0 CGAERO CCCCOc1ccc(C[NH2+][C@@H](CO)CC(C)C)cc1 ZINC000040774862 270030480 /nfs/dbraw/zinc/03/04/80/270030480.db2.gz CIMJESTTZUQZQG-MRXNPFEDSA-N 1 0 279.424 3.362 10 0 CGAERO [NH3+][C@H](CF)c1cc(Br)cc(Br)c1 ZINC000238683633 265367911 /nfs/dbraw/zinc/36/79/11/265367911.db2.gz MLLKUTQKRKBUAZ-MRVPVSSYSA-N 1 0 296.965 3.181 10 0 CGAERO CCC[C@H](C(=O)Nc1cccc(C(C)(C)C)c1O)[NH+](C)C ZINC000185826710 270064130 /nfs/dbraw/zinc/06/41/30/270064130.db2.gz CUPMXFBSIQJGSK-CQSZACIVSA-N 1 0 292.423 3.359 10 0 CGAERO CCc1ccc(C[N@@H+]2C[C@@H]3CCCCN3C[C@@H]2C)cc1 ZINC000227361122 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270.779 3.303 10 0 CGAERO CC(C)[C@@H]1C[NH2+]C(C)(C)CN1Cc1ccc(F)cc1 ZINC000062662063 519804787 /nfs/dbraw/zinc/80/47/87/519804787.db2.gz OAOMWGSENJTMDM-HNNXBMFYSA-N 1 0 264.388 3.034 10 0 CGAERO CC(C)[C@H](CN(C)C)[NH2+]Cc1ccccc1Br ZINC000049196871 519814560 /nfs/dbraw/zinc/81/45/60/519814560.db2.gz LEELTOJRFRWFEM-AWEZNQCLSA-N 1 0 299.256 3.125 10 0 CGAERO CC(C)[C@H]1CC[C@H](O)[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000054560760 519825998 /nfs/dbraw/zinc/82/59/98/519825998.db2.gz SUEJCAPZDMWHFC-JYJNAYRXSA-N 1 0 253.430 3.152 10 0 CGAERO CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1cccc(CC)c1 ZINC000054626751 519910651 /nfs/dbraw/zinc/91/06/51/519910651.db2.gz DOZVCUKFLLPVJP-ZXFUBFMLSA-N 1 0 258.409 3.358 10 0 CGAERO CCC[NH2+]C[C@@H](Oc1ccc(F)c(F)c1)C(C)C ZINC000052700246 519921679 /nfs/dbraw/zinc/92/16/79/519921679.db2.gz JUJWYZYEKDBUIY-CQSZACIVSA-N 1 0 257.324 3.368 10 0 CGAERO CCC[NH2+]C[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000053031744 519923284 /nfs/dbraw/zinc/92/32/84/519923284.db2.gz OJOBUDYNLLMXFI-NSHDSACASA-N 1 0 270.779 3.305 10 0 CGAERO CCC[NH2+]Cc1cnc(-c2ccc(Cl)cc2)nc1 ZINC000054855923 519962929 /nfs/dbraw/zinc/96/29/29/519962929.db2.gz NCVHVNGUJYUDAZ-UHFFFAOYSA-N 1 0 261.756 3.297 10 0 CGAERO CC[NH2+]C[C@H](CCOC)Cc1ccccc1Cl ZINC000052979572 519971214 /nfs/dbraw/zinc/97/12/14/519971214.db2.gz UQLBMWVPQIRMOW-GFCCVEGCSA-N 1 0 255.789 3.145 10 0 CGAERO CC[NH2+]C[C@H](C)c1nc2ccc(F)cc2n1C1CC1 ZINC000061219513 519971249 /nfs/dbraw/zinc/97/12/49/519971249.db2.gz RKQJIUYOWWUWJG-JTQLQIEISA-N 1 0 261.344 3.223 10 0 CGAERO CCC[NH2+][C@@H](C)c1ccccc1NC(=O)NC1CC1 ZINC000054457032 519990920 /nfs/dbraw/zinc/99/09/20/519990920.db2.gz AONIOAQQQGGFQS-NSHDSACASA-N 1 0 261.369 3.031 10 0 CGAERO CCC[NH2+][C@@H](CC)c1nnc(-c2cccc(F)c2)o1 ZINC000061513649 519993746 /nfs/dbraw/zinc/99/37/46/519993746.db2.gz JARYLBUBVUSKPF-LBPRGKRZSA-N 1 0 263.316 3.326 10 0 CGAERO CCC[NH2+][C@@H](Cc1cnn(C)c1)c1ccc(C)cc1 ZINC000050542553 520013363 /nfs/dbraw/zinc/01/33/63/520013363.db2.gz 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XVNAQRRJEHNKBP-CYBMUJFWSA-N 1 0 278.396 3.354 10 0 CGAERO CCNc1c(C)c(C)[nH+]c2c(OC)ccc(OC)c12 ZINC000050870312 520254612 /nfs/dbraw/zinc/25/46/12/520254612.db2.gz PXGKCJRDLFGCKK-UHFFFAOYSA-N 1 0 260.337 3.301 10 0 CGAERO CCCOc1ccc(OCCC[NH2+]CC(C)C)cc1 ZINC000052695206 520404696 /nfs/dbraw/zinc/40/46/96/520404696.db2.gz VLONGICVVFQPLS-UHFFFAOYSA-N 1 0 265.397 3.490 10 0 CGAERO CCN(CC(C)C)c1cc(C[NH2+]CC(C)C)ccn1 ZINC000051440768 520414779 /nfs/dbraw/zinc/41/47/79/520414779.db2.gz ZTCPSBDFLLZLNZ-UHFFFAOYSA-N 1 0 263.429 3.310 10 0 CGAERO CCN(CC(F)(F)F)CC(CC)(CC)C[NH2+]C1CC1 ZINC000051250307 520420456 /nfs/dbraw/zinc/42/04/56/520420456.db2.gz LEJWWRUUPHNXOF-UHFFFAOYSA-N 1 0 280.378 3.429 10 0 CGAERO CCCOc1ccc([C@H]([NH3+])c2ncccc2C)cc1 ZINC000055264362 520431013 /nfs/dbraw/zinc/43/10/13/520431013.db2.gz AWVBBOJUSZEZCS-HNNXBMFYSA-N 1 0 256.349 3.227 10 0 CGAERO CC1(C)CN(Cc2ccco2)[C@H](c2ccccc2)C[NH2+]1 ZINC000062665600 520482829 /nfs/dbraw/zinc/48/28/29/520482829.db2.gz IVKXGCOPIXDUCN-INIZCTEOSA-N 1 0 270.376 3.205 10 0 CGAERO CCC[C@@H](NC(=O)[C@H]([NH3+])[C@@H](C)CC)c1cccs1 ZINC000049547032 520748892 /nfs/dbraw/zinc/74/88/92/520748892.db2.gz OBLIOHDOABRYFD-DMDPSCGWSA-N 1 0 268.426 3.079 10 0 CGAERO CCCC[C@@H](C[NH2+]CCOC)Cc1ccccc1F ZINC000054667344 521049252 /nfs/dbraw/zinc/04/92/52/521049252.db2.gz MOGULOOVMLQUMR-CQSZACIVSA-N 1 0 267.388 3.411 10 0 CGAERO CCN([C@@H](C[NH2+]CC(C)C)c1ccccc1)C1CC1 ZINC000052452324 521472389 /nfs/dbraw/zinc/47/23/89/521472389.db2.gz NGVWMJGNVQCSHZ-KRWDZBQOSA-N 1 0 260.425 3.458 10 0 CGAERO CCC(CC)CN(CC)c1nc(C)c(C[NH2+]C)s1 ZINC000054999742 521522534 /nfs/dbraw/zinc/52/25/34/521522534.db2.gz KTEMKGOJMLFHJB-UHFFFAOYSA-N 1 0 269.458 3.433 10 0 CGAERO CCSc1ccccc1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307614 521775237 /nfs/dbraw/zinc/77/52/37/521775237.db2.gz HCWFYONHBHCDQT-GFCCVEGCSA-N 1 0 278.421 3.127 10 0 CGAERO CCc1csc([C@H]2CCC[N@H+](C[C@@H]3CCCO3)C2)n1 ZINC000157046306 522118185 /nfs/dbraw/zinc/11/81/85/522118185.db2.gz AUQAILQHRRHUCN-JSGCOSHPSA-N 1 0 280.437 3.064 10 0 CGAERO C[NH2+]Cc1ccccc1OCCO[C@@H](C)CC(C)C ZINC000052603457 522138593 /nfs/dbraw/zinc/13/85/93/522138593.db2.gz SHHZNDQOWIVOJY-AWEZNQCLSA-N 1 0 265.397 3.236 10 0 CGAERO C[NH2+]Cc1sc(N2CCCc3ccccc32)nc1C ZINC000054994795 522166487 /nfs/dbraw/zinc/16/64/87/522166487.db2.gz CACUAUOQODGOII-UHFFFAOYSA-N 1 0 273.405 3.255 10 0 CGAERO CC[C@@H](C)Oc1cccc(NC(=[NH2+])NCC(C)C)c1 ZINC000052091566 522269391 /nfs/dbraw/zinc/26/93/91/522269391.db2.gz OWSJDBFLGJHCIA-GFCCVEGCSA-N 1 0 263.385 3.456 10 0 CGAERO C[NH2+][C@@H](C)Cc1ccc(-c2ccccc2COC)o1 ZINC000062770957 522324043 /nfs/dbraw/zinc/32/40/43/522324043.db2.gz DKKLTCXVOYSASL-LBPRGKRZSA-N 1 0 259.349 3.243 10 0 CGAERO C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1Oc1cc(F)cc(F)c1 ZINC000054932787 522397421 /nfs/dbraw/zinc/39/74/21/522397421.db2.gz HJUAWHYQCAGXAS-OWYVNGRQSA-N 1 0 255.308 3.120 10 0 CGAERO C[NH2+][C@H](Cc1ncc[nH]1)C1CCC(C(C)(C)C)CC1 ZINC000054667870 522476041 /nfs/dbraw/zinc/47/60/41/522476041.db2.gz GZGDCNRABFNPGZ-JXQTWKCFSA-N 1 0 263.429 3.393 10 0 CGAERO C[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C[C@H]1C ZINC000049711783 522503314 /nfs/dbraw/zinc/50/33/14/522503314.db2.gz ZHZANESRYHUIET-RNCFNFMXSA-N 1 0 273.207 3.428 10 0 CGAERO CC[C@@H](C[NH2+]C(C)(C)C)N(Cc1ccco1)C1CC1 ZINC000052370817 522544049 /nfs/dbraw/zinc/54/40/49/522544049.db2.gz VACWTHPEFZVPRX-ZDUSSCGKSA-N 1 0 264.413 3.411 10 0 CGAERO CC[C@@H]([NH3+])[C@@H](Sc1nnc(C)o1)c1sccc1C ZINC000051037963 522648199 /nfs/dbraw/zinc/64/81/99/522648199.db2.gz AFBOVHKBCRUPSB-MWLCHTKSSA-N 1 0 283.422 3.319 10 0 CGAERO CC[C@@H]([NH3+])[C@@H](c1ccco1)n1nc(C)c(Cl)c1C ZINC000050586141 522649265 /nfs/dbraw/zinc/64/92/65/522649265.db2.gz YBBDHQBKGHEBQD-MFKMUULPSA-N 1 0 267.760 3.073 10 0 CGAERO CN(CC[C@@H]([NH3+])C(C)(C)C)Cc1ccccc1F ZINC000054029118 522928493 /nfs/dbraw/zinc/92/84/93/522928493.db2.gz SBWWTGZZOQAHGA-CQSZACIVSA-N 1 0 252.377 3.021 10 0 CGAERO CC[C@@H]1CCCN(c2ncc(C[NH2+]C3CC3)s2)C1 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ZINC000157677901 524376046 /nfs/dbraw/zinc/37/60/46/524376046.db2.gz RYTGZRNWUKJKLW-JWMHWRSXSA-N 1 0 288.435 3.014 10 0 CGAERO C[C@@H](CCCOCC(F)(F)F)C[NH2+]C(C)(C)C ZINC000052967114 524465208 /nfs/dbraw/zinc/46/52/08/524465208.db2.gz DDSXDNQIZZKYOF-JTQLQIEISA-N 1 0 255.324 3.370 10 0 CGAERO Cc1ccc(CN2C[C@@H](C)[NH2+]Cc3ccccc32)cc1 ZINC000062662914 524479396 /nfs/dbraw/zinc/47/93/96/524479396.db2.gz ORIVXUJJJDHJHG-OAHLLOKOSA-N 1 0 266.388 3.493 10 0 CGAERO Cc1cc(Cl)cc2nc(C3CC[NH2+]CC3)oc21 ZINC000062536247 524878403 /nfs/dbraw/zinc/87/84/03/524878403.db2.gz UABKGSMWVRVZQE-UHFFFAOYSA-N 1 0 250.729 3.257 10 0 CGAERO Cc1ccc(N2CC[C@@H](C[NH2+]CC(C)C)C2)c(C)c1 ZINC000053012618 524969875 /nfs/dbraw/zinc/96/98/75/524969875.db2.gz XZMAIXFSAXTJPK-INIZCTEOSA-N 1 0 260.425 3.375 10 0 CGAERO C[C@@H]([NH3+])c1ccc(Sc2nccc(=O)[nH]2)c(Cl)c1 ZINC000061700144 525030189 /nfs/dbraw/zinc/03/01/89/525030189.db2.gz NRSPTDQGRJENBZ-SSDOTTSWSA-N 1 0 281.768 3.007 10 0 CGAERO COc1ccc([C@@H](C[NH3+])Nc2ccc(C)cc2)cc1OC ZINC000057597350 525179219 /nfs/dbraw/zinc/17/92/19/525179219.db2.gz UJVVILOFYXHJJC-OAHLLOKOSA-N 1 0 286.375 3.124 10 0 CGAERO COc1ccc([C@H](C[NH3+])Nc2ccccc2C)cc1OC ZINC000057597338 525352137 /nfs/dbraw/zinc/35/21/37/525352137.db2.gz CBOMLCQVJAGUCU-HNNXBMFYSA-N 1 0 286.375 3.124 10 0 CGAERO C[C@@H]([NH2+]CC(=O)N1CCCC1)c1ccc2ccccc2c1 ZINC000102686740 525407544 /nfs/dbraw/zinc/40/75/44/525407544.db2.gz PKHPWVPGFNBOPN-CQSZACIVSA-N 1 0 282.387 3.113 10 0 CGAERO Cc1cc([C@@H]([NH3+])c2ccc3c(c2)CCO3)ccc1F ZINC000063055573 525480766 /nfs/dbraw/zinc/48/07/66/525480766.db2.gz NXWLPKTXOIHTMB-MRXNPFEDSA-N 1 0 257.308 3.117 10 0 CGAERO C[C@@H]1C[C@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000086694608 525499138 /nfs/dbraw/zinc/49/91/38/525499138.db2.gz SLHMCEHQVTXHTP-RDDDGLTNSA-N 1 0 258.134 3.086 10 0 CGAERO C[C@@H]([NH2+]Cc1cccn1C)c1cc(F)ccc1F ZINC000050595240 525540808 /nfs/dbraw/zinc/54/08/08/525540808.db2.gz HWAYRDFAFYNWKQ-SNVBAGLBSA-N 1 0 250.292 3.154 10 0 CGAERO Cc1ccc(SCCC[C@H]2CCC[NH2+]2)c(N)c1 ZINC000052782954 525654111 /nfs/dbraw/zinc/65/41/11/525654111.db2.gz KHBHEYJUBHRUFL-GFCCVEGCSA-N 1 0 250.411 3.202 10 0 CGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCCC[C@@H]2O)s1 ZINC000049182713 525938719 /nfs/dbraw/zinc/93/87/19/525938719.db2.gz AEXMWZJIWUUOFO-XQQFMLRXSA-N 1 0 253.411 3.401 10 0 CGAERO Cc1nn([C@@H](C[NH3+])c2ccccc2C)c(C)c1Cl ZINC000050586376 526302769 /nfs/dbraw/zinc/30/27/69/526302769.db2.gz FKYPITRJXPOEQW-ZDUSSCGKSA-N 1 0 263.772 3.010 10 0 CGAERO Cc1nnc(SCC[NH2+][C@@H]2CCCC[C@@H]2C)s1 ZINC000053622813 526384114 /nfs/dbraw/zinc/38/41/14/526384114.db2.gz FIYZFCCGQCUZGH-GXSJLCMTSA-N 1 0 271.455 3.107 10 0 CGAERO Clc1ccc(Cl)c(OCC[NH2+]C2CCOCC2)c1 ZINC000062768058 526954368 /nfs/dbraw/zinc/95/43/68/526954368.db2.gz UPMLTEOEJODRQR-UHFFFAOYSA-N 1 0 290.190 3.141 10 0 CGAERO [NH3+][C@@H]1CCCCC[C@H]1n1cc(-c2ccccc2)cn1 ZINC000054961275 527342402 /nfs/dbraw/zinc/34/24/02/527342402.db2.gz UDMIJNLNSOQIJE-HZPDHXFCSA-N 1 0 255.365 3.383 10 0 CGAERO OCCC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1F ZINC000163945077 527545196 /nfs/dbraw/zinc/54/51/96/527545196.db2.gz SXSGUDBCYYPBDD-ZDUSSCGKSA-N 1 0 271.763 3.216 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000179120936 528501960 /nfs/dbraw/zinc/50/19/60/528501960.db2.gz CZZLUJCLALJXMS-GXTWGEPZSA-N 1 0 283.847 3.362 10 0 CGAERO CC(C)[C@@H](O)C[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000164349297 528634929 /nfs/dbraw/zinc/63/49/29/528634929.db2.gz KAWIAEJBRSWLRJ-JKSUJKDBSA-N 1 0 261.409 3.307 10 0 CGAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]C[C@@H]1CCOC1 ZINC000156733837 529056525 /nfs/dbraw/zinc/05/65/25/529056525.db2.gz DBILBCJZMZPITN-BBRMVZONSA-N 1 0 259.393 3.326 10 0 CGAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495670624 535494539 /nfs/dbraw/zinc/49/45/39/535494539.db2.gz OMVODINHAFBCPD-YRGRVCCFSA-N 1 0 282.428 3.020 10 0 CGAERO CC(C)CCS[C@H](C[NH3+])C(F)(F)C(F)(F)F ZINC000616570809 570408943 /nfs/dbraw/zinc/40/89/43/570408943.db2.gz URJAGLPLJFJQEC-SSDOTTSWSA-N 1 0 265.291 3.291 10 0 CGAERO Brc1ccc([C@@H]2NCCc3sccc32)nc1 ZINC000397130408 570289986 /nfs/dbraw/zinc/28/99/86/570289986.db2.gz UWFYAZZZRLCNLL-GFCCVEGCSA-N 1 0 295.205 3.141 10 0 CGAERO CC(C)Cc1ccc([C@H](C)NC(=O)CCCC[NH3+])cc1 ZINC000070201862 572617143 /nfs/dbraw/zinc/61/71/43/572617143.db2.gz WRMVXYHOPCOINH-AWEZNQCLSA-N 1 0 276.424 3.191 10 0 CGAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]CC12CCC(C)(C)CC2 ZINC000757186055 617837036 /nfs/dbraw/zinc/83/70/36/617837036.db2.gz VLHWFZNMOUKIKK-LBPRGKRZSA-N 1 0 267.413 3.134 10 0 CGAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCC[C@@H]1OC ZINC000050368506 618097340 /nfs/dbraw/zinc/09/73/40/618097340.db2.gz XINOVVWJNSYTHY-ULQDDVLXSA-N 1 0 275.392 3.230 10 0 CGAERO c1ccc(CC[NH2+]CCCOc2ccccc2)cc1 ZINC000034384908 618575094 /nfs/dbraw/zinc/57/50/94/618575094.db2.gz IKOZFRRVEAOISW-UHFFFAOYSA-N 1 0 255.361 3.288 10 0 CGAERO CC(=O)[C@H]1CCCN(c2cc(C)[nH+]c3ccccc32)C1 ZINC000111691047 618948013 /nfs/dbraw/zinc/94/80/13/618948013.db2.gz 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/nfs/dbraw/zinc/21/52/04/619215204.db2.gz DFHKNYTUESHWPU-DOMZBBRYSA-N 1 0 294.826 3.023 10 0 CGAERO CC[C@H]([NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1C[C@@H]1C ZINC000322160185 620390670 /nfs/dbraw/zinc/39/06/70/620390670.db2.gz JVALCWHIBKOBDR-AJNGGQMLSA-N 1 0 296.455 3.268 10 0 CGAERO c1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCc2cccnc21 ZINC000226801556 623000444 /nfs/dbraw/zinc/00/04/44/623000444.db2.gz ZYBKSDYRCNKYBG-HOTGVXAUSA-N 1 0 250.345 3.346 10 0 CGAERO C[C@H](NC(=O)[C@]1(C)CC[NH2+]C1)c1ccc(C(C)(C)C)cc1 ZINC000062891804 623274130 /nfs/dbraw/zinc/27/41/30/623274130.db2.gz WKJJOPDGMUECPI-SCLBCKFNSA-N 1 0 288.435 3.161 10 0 CGAERO C(CC1CCCCC1)c1nc(C[C@@H]2CCC[NH2+]C2)no1 ZINC000063084554 623293271 /nfs/dbraw/zinc/29/32/71/623293271.db2.gz UKPFDVAGZNJLHT-AWEZNQCLSA-N 1 0 277.412 3.125 10 0 CGAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1occc1Br ZINC000231674704 623336121 /nfs/dbraw/zinc/33/61/21/623336121.db2.gz FDOGMRBJMJPHSR-WPRPVWTQSA-N 1 0 258.159 3.320 10 0 CGAERO [NH3+]C[C@H]1CCCC[C@H]1c1nc(-c2ccc(F)c(F)c2)no1 ZINC000089383481 623736700 /nfs/dbraw/zinc/73/67/00/623736700.db2.gz MTQCAEXWUNXEKW-GHMZBOCLSA-N 1 0 293.317 3.247 10 0 CGAERO Cc1cc(O)c(Br)cc1[C@@H]([NH3+])C(C)C ZINC000757145408 630586862 /nfs/dbraw/zinc/58/68/62/630586862.db2.gz NAFBITTTXOIHNE-NSHDSACASA-N 1 0 258.159 3.119 10 0 CGAERO Cc1ccc([C@@H]2C[NH2+]C[C@H]2C(=O)OC(C)(C)C)cc1Cl ZINC000757183788 630588053 /nfs/dbraw/zinc/58/80/53/630588053.db2.gz GVFUPMWCZONENN-QWHCGFSZSA-N 1 0 295.810 3.293 10 0 CGAERO CC(C)C1CCC2(C[NH2+]C[C@@H]2C(=O)OC(C)(C)C)CC1 ZINC000757185751 630588554 /nfs/dbraw/zinc/58/85/54/630588554.db2.gz RXMVVHIVAVDEPI-XOYHFGRZSA-N 1 0 281.440 3.380 10 0 CGAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@@]12CCCC(C)(C)C2 ZINC000757187318 630588731 /nfs/dbraw/zinc/58/87/31/630588731.db2.gz ZFDSTDCTKCWKCT-LRDDRELGSA-N 1 0 267.413 3.134 10 0 CGAERO Cc1cnn([C@H]2CCC[N@H+](CCc3cccs3)C2)c1 ZINC000105901760 636035999 /nfs/dbraw/zinc/03/59/99/636035999.db2.gz HUKBMMAWRMQUPZ-AWEZNQCLSA-N 1 0 275.421 3.133 10 0 CGAERO c1ccc(CC[NH2+]C[C@H]2OCCc3ccccc32)cc1 ZINC000027577206 636740342 /nfs/dbraw/zinc/74/03/42/636740342.db2.gz ISIAHYJWRMMAOE-GOSISDBHSA-N 1 0 267.372 3.133 10 0 CGAERO Nc1ccc([C@@H]2CCCN2Cc2ccccc2Cl)nn1 ZINC000886080376 637401306 /nfs/dbraw/zinc/40/13/06/637401306.db2.gz PIBMSZCBADOALC-AWEZNQCLSA-N 1 0 288.782 3.049 10 0 CGAERO CC[C@@H](C)c1noc(C2(c3ccccc3)CC[NH2+]CC2)n1 ZINC000111274460 637826651 /nfs/dbraw/zinc/82/66/51/637826651.db2.gz APMXTGKBZHEOEE-CYBMUJFWSA-N 1 0 285.391 3.253 10 0 CGAERO CCCCCC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000157742373 639993167 /nfs/dbraw/zinc/99/31/67/639993167.db2.gz YIKMBDJKZUKGHB-HNNXBMFYSA-N 1 0 261.413 3.396 10 0 CGAERO C[C@H](NC(=O)[C@]1(C)CCC[NH2+]1)c1ccc(C(C)(C)C)cc1 ZINC000079512960 640408808 /nfs/dbraw/zinc/40/88/08/640408808.db2.gz SYLVZLMWRREMNA-UGSOOPFHSA-N 1 0 288.435 3.303 10 0 CGAERO [NH3+]C[C@H]1CCCC[C@H]1c1nc(C2CCCCC2)no1 ZINC000089383413 640643463 /nfs/dbraw/zinc/64/34/63/640643463.db2.gz GVUVXHIPYVLZCZ-CHWSQXEVSA-N 1 0 263.385 3.350 10 0 CGAERO [NH3+]C[C@@H]1CCCC[C@H]1c1nc(Cc2cccc(F)c2)no1 ZINC000089383499 640643533 /nfs/dbraw/zinc/64/35/33/640643533.db2.gz LJJLHGHVZOPRGO-GXTWGEPZSA-N 1 0 289.354 3.032 10 0 CGAERO Cc1ccc([C@@H](C)NC(=O)CC[NH2+]C(C)(C)C)cc1F ZINC000094956643 640806073 /nfs/dbraw/zinc/80/60/73/640806073.db2.gz JEPUEIBZNWAONE-GFCCVEGCSA-N 1 0 280.387 3.090 10 0 CGAERO CC[NH2+]Cc1sc(N(CC)CC)nc1C(C)C ZINC000082434705 178011532 /nfs/dbraw/zinc/01/15/32/178011532.db2.gz WAUKDMFUBVCRND-UHFFFAOYSA-N 1 0 255.431 3.222 10 0 CGAERO CC[NH2+]Cc1sc(C2CCCCC2)nc1COC ZINC000082446159 178023487 /nfs/dbraw/zinc/02/34/87/178023487.db2.gz HVXJMHIEPHIDKF-UHFFFAOYSA-N 1 0 268.426 3.447 10 0 CGAERO CCOc1cccc(-c2nc(COC)c(C[NH2+]C)s2)c1 ZINC000082446401 178023830 /nfs/dbraw/zinc/02/38/30/178023830.db2.gz QCLDYJQHHURXDP-UHFFFAOYSA-N 1 0 292.404 3.075 10 0 CGAERO CC[C@@](C)([NH3+])c1cc(Br)ccc1OC ZINC000082567774 178098405 /nfs/dbraw/zinc/09/84/05/178098405.db2.gz VKEREMYHDHUSAS-LLVKDONJSA-N 1 0 258.159 3.042 10 0 CGAERO [NH3+][C@H]1[C@@H]2CC[C@H]1Cc1cc(C(F)(F)F)ccc1C2 ZINC000095917699 185031084 /nfs/dbraw/zinc/03/10/84/185031084.db2.gz UVNYVVKDIUFMML-NRUUGDAUSA-N 1 0 255.283 3.158 10 0 CGAERO CC(C)[NH2+]CC(=O)c1c[nH]c2c1cccc2Cl ZINC000082619338 178126979 /nfs/dbraw/zinc/12/69/79/178126979.db2.gz UXKQVZQQOZSKMA-UHFFFAOYSA-N 1 0 250.729 3.002 10 0 CGAERO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@@H]([NH3+])CC1 ZINC000095943586 185037150 /nfs/dbraw/zinc/03/71/50/185037150.db2.gz GZWHYSSQCWEGCN-CABCVRRESA-N 1 0 290.407 3.128 10 0 CGAERO COC(=O)CC[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000127730546 187328964 /nfs/dbraw/zinc/32/89/64/187328964.db2.gz LAQWJAJAXBCWDK-LBPRGKRZSA-N 1 0 296.436 3.009 10 0 CGAERO CCCCNC(=O)CN1CCCC[C@H]1c1ccc(C)o1 ZINC000124723723 187150608 /nfs/dbraw/zinc/15/06/08/187150608.db2.gz RNXKMTXZQNFUGH-AWEZNQCLSA-N 1 0 278.396 3.031 10 0 CGAERO C[N@@H+]1CCc2[nH]nc(-c3cccc(Cl)c3Cl)c2C1 ZINC000082807721 178309398 /nfs/dbraw/zinc/30/93/98/178309398.db2.gz MRHFXMJFSZSXBK-UHFFFAOYSA-N 1 0 282.174 3.371 10 0 CGAERO Cc1cc(C)c([C@@H](O)[C@@H]2CCC[NH2+]2)c(C)c1Br ZINC000083161622 178345742 /nfs/dbraw/zinc/34/57/42/178345742.db2.gz RTQNRHUQEGZKIH-FZMZJTMJSA-N 1 0 298.224 3.160 10 0 CGAERO CCOc1ccc([C@H]([NH3+])CC)cc1Br ZINC000083162947 178346435 /nfs/dbraw/zinc/34/64/35/178346435.db2.gz GJCSVVQNXXAUFF-SNVBAGLBSA-N 1 0 258.159 3.258 10 0 CGAERO CCCc1cc(OC)c2c(c1OC)[C@@H](C(C)C)[NH2+]CC2 ZINC000096889062 185123935 /nfs/dbraw/zinc/12/39/35/185123935.db2.gz DMAOXGMYQQYLLO-MRXNPFEDSA-N 1 0 277.408 3.499 10 0 CGAERO CC[NH2+][C@@H](C)C(=O)c1ccc(SC(C)C)cc1 ZINC000096891010 185124671 /nfs/dbraw/zinc/12/46/71/185124671.db2.gz HDZYSVDIDLTWFR-NSHDSACASA-N 1 0 251.395 3.368 10 0 CGAERO CC[C@H](C(=O)N[C@H](C)c1ccc(C(C)C)cc1)[NH+](C)C ZINC000178198572 529616942 /nfs/dbraw/zinc/61/69/42/529616942.db2.gz CLSPCIYIFLPJIJ-CZUORRHYSA-N 1 0 276.424 3.327 10 0 CGAERO Cc1ncsc1C[NH2+][C@@H]1CCOc2ccccc21 ZINC000071212538 282234112 /nfs/dbraw/zinc/23/41/12/282234112.db2.gz XHWPFAFVOMEATH-GFCCVEGCSA-N 1 0 260.362 3.065 10 0 CGAERO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1COc2ccccc21 ZINC000126702415 187256763 /nfs/dbraw/zinc/25/67/63/187256763.db2.gz DPESYHJMWSCMKN-MLGOLLRUSA-N 1 0 269.344 3.047 10 0 CGAERO c1n[nH]cc1[C@@H]1CCCC[N@H+]1Cc1ccc2c[nH]nc2c1 ZINC000126717708 187258051 /nfs/dbraw/zinc/25/80/51/187258051.db2.gz JEZAQLQVUQXZBI-INIZCTEOSA-N 1 0 281.363 3.013 10 0 CGAERO CC[C@@H]1CN(Cc2cccc(Cl)c2)[C@@H](CC)C[NH2+]1 ZINC000083493776 178518725 /nfs/dbraw/zinc/51/87/25/178518725.db2.gz NCWRMZKFRIMEOT-CABCVRRESA-N 1 0 266.816 3.302 10 0 CGAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1CCc1cccc(F)c1 ZINC000083587340 178595785 /nfs/dbraw/zinc/59/57/85/178595785.db2.gz WWOSKHNNGOXCJC-IAGOWNOFSA-N 1 0 278.415 3.077 10 0 CGAERO CCCCN1CC[NH+]=C1[C@@H](OCC)c1ccccc1 ZINC000002010289 344857425 /nfs/dbraw/zinc/85/74/25/344857425.db2.gz JGEJFPRBINRCOC-HNNXBMFYSA-N 1 0 260.381 3.278 10 0 CGAERO CC[NH2+]C[C@@H](C)C(O)(c1ccccc1)c1ccccc1 ZINC000003634806 344858889 /nfs/dbraw/zinc/85/88/89/344858889.db2.gz OAILAWYLCGQCLR-OAHLLOKOSA-N 1 0 269.388 3.168 10 0 CGAERO C[C@H](Cc1cc(Br)ccc1F)[C@H](C)[NH3+] ZINC000037947469 344954158 /nfs/dbraw/zinc/95/41/58/344954158.db2.gz OZVYAPQGKAQCIM-SFYZADRCSA-N 1 0 260.150 3.114 10 0 CGAERO COc1ccc2ccc(OC)c3c2c1CC[C@@H]3CC[NH3+] ZINC000039081918 344957247 /nfs/dbraw/zinc/95/72/47/344957247.db2.gz FEKQJAVKVRALFK-GFCCVEGCSA-N 1 0 271.360 3.236 10 0 CGAERO COc1ccc([C@H]2CCc3ccccc3[C@H]2[NH3+])cc1 ZINC000034523048 344940208 /nfs/dbraw/zinc/94/02/08/344940208.db2.gz QCNNDDJZXNZNPP-IAGOWNOFSA-N 1 0 253.345 3.425 10 0 CGAERO OC1(c2cccc3ccccc32)CC[NH+](C2CC2)CC1 ZINC000034524007 344940346 /nfs/dbraw/zinc/94/03/46/344940346.db2.gz YVANMSKWBNDOFY-UHFFFAOYSA-N 1 0 267.372 3.286 10 0 CGAERO COc1ccc(NC(=[NH2+])c2ccc(OC)cc2)cc1 ZINC000035803980 344942704 /nfs/dbraw/zinc/94/27/04/344942704.db2.gz KBZXAVMPHRLMPC-UHFFFAOYSA-N 1 0 256.305 3.141 10 0 CGAERO CC[NH2+]C1CC(c2ccccc2Br)C1 ZINC000036840772 344945202 /nfs/dbraw/zinc/94/52/02/344945202.db2.gz RIMNIBVEUHHLFU-UHFFFAOYSA-N 1 0 254.171 3.305 10 0 CGAERO [NH3+]C[C@H]1CCC[C@@H]1Oc1cccc(C(F)(F)F)c1 ZINC000037162163 344948015 /nfs/dbraw/zinc/94/80/15/344948015.db2.gz JWUWWZDFPCTKGE-SKDRFNHKSA-N 1 0 259.271 3.212 10 0 CGAERO COc1ccc2ccccc2c1C[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000037165455 344948140 /nfs/dbraw/zinc/94/81/40/344948140.db2.gz QHFSVTGYNBBINV-LSDHHAIUSA-N 1 0 285.387 3.242 10 0 CGAERO C[C@@H]1C[C@H]([NH2+]CCCCn2ccnc2)CC(C)(C)C1 ZINC000044353240 345009597 /nfs/dbraw/zinc/00/95/97/345009597.db2.gz GNFNGBCVPFLZNG-CABCVRRESA-N 1 0 263.429 3.468 10 0 CGAERO Cc1[nH+]c2ccc(I)cc2c(N)c1C ZINC000050868393 345085563 /nfs/dbraw/zinc/08/55/63/345085563.db2.gz VWECTJCMRPJNRB-UHFFFAOYSA-N 1 0 298.127 3.038 10 0 CGAERO CC[C@H]1Cc2c(F)cc(Br)cc2C[NH2+]1 ZINC000052095342 345098735 /nfs/dbraw/zinc/09/87/35/345098735.db2.gz SMWVAQPLPGQPRC-VIFPVBQESA-N 1 0 258.134 3.013 10 0 CGAERO CC[C@@](C)([NH3+])Cc1cc(F)ccc1Br ZINC000053758151 345125028 /nfs/dbraw/zinc/12/50/28/345125028.db2.gz GZCNONWKDXENRQ-LLVKDONJSA-N 1 0 260.150 3.258 10 0 CGAERO CC(C)(C)c1ccc(NC(=O)C[C@H]2CCC[NH2+]C2)cc1 ZINC000054290069 345131931 /nfs/dbraw/zinc/13/19/31/345131931.db2.gz UTTOIZBFASNKTN-CYBMUJFWSA-N 1 0 274.408 3.312 10 0 CGAERO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cncs1 ZINC000054770998 345138764 /nfs/dbraw/zinc/13/87/64/345138764.db2.gz PCMYEAAKDWAJLJ-ZJUUUORDSA-N 1 0 264.316 3.354 10 0 CGAERO Brc1ccsc1C[C@H]1CCCC[NH2+]1 ZINC000062772389 345239721 /nfs/dbraw/zinc/23/97/21/345239721.db2.gz HACFWPYPWJWSPF-MRVPVSSYSA-N 1 0 260.200 3.195 10 0 CGAERO CC(C)C(=[NH2+])NCc1cccc(Br)c1 ZINC000062993917 345242324 /nfs/dbraw/zinc/24/23/24/345242324.db2.gz UBLPKJHYEFPETF-UHFFFAOYSA-N 1 0 255.159 3.172 10 0 CGAERO CC[C@@H]([NH3+])c1cc(F)c(Br)cc1F ZINC000070022659 345387553 /nfs/dbraw/zinc/38/75/53/345387553.db2.gz RMLWTNRIEBGAQZ-SECBINFHSA-N 1 0 250.086 3.137 10 0 CGAERO C[NH2+][C@H](C)c1cc(F)c(Br)cc1F ZINC000070022717 345387802 /nfs/dbraw/zinc/38/78/02/345387802.db2.gz APZGOQPSBWAMIF-RXMQYKEDSA-N 1 0 250.086 3.008 10 0 CGAERO [NH3+]Cc1cc(-c2occc2Br)cs1 ZINC000070601152 345392791 /nfs/dbraw/zinc/39/27/91/345392791.db2.gz SRFGSQHDVBNYNJ-UHFFFAOYSA-N 1 0 258.140 3.229 10 0 CGAERO C[C@@]1(C(=O)Nc2cc(Cl)cc(Cl)c2)CCC[NH2+]1 ZINC000079510466 345644389 /nfs/dbraw/zinc/64/43/89/345644389.db2.gz FMCSVDYUDDRZGM-LBPRGKRZSA-N 1 0 273.163 3.074 10 0 CGAERO CC(C)c1nc2cc(NC(=O)[C@H]3CC[C@H]([NH3+])C3)ccc2o1 ZINC000091544941 345817931 /nfs/dbraw/zinc/81/79/31/345817931.db2.gz UDGNPFULBKQVSY-QWRGUYRKSA-N 1 0 287.363 3.017 10 0 CGAERO Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCO2)c(Br)c1 ZINC000159287032 232240620 /nfs/dbraw/zinc/24/06/20/232240620.db2.gz JPNJDAUWBHTNHA-FZMZJTMJSA-N 1 0 298.224 3.415 10 0 CGAERO Nc1[nH+]c2cc(Cl)c(F)cc2n1Cc1ccccc1 ZINC000097363760 345907620 /nfs/dbraw/zinc/90/76/20/345907620.db2.gz JPNWPNVQCLVOJN-UHFFFAOYSA-N 1 0 275.714 3.459 10 0 CGAERO 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3.035 10 0 CGAERO O[C@]12CCCC[C@@H]1C[N@H+](Cc1c(F)cccc1F)CC2 ZINC000093586085 370145241 /nfs/dbraw/zinc/14/52/41/370145241.db2.gz IISMAWFRJNGMFX-WBMJQRKESA-N 1 0 281.346 3.092 10 0 CGAERO COc1cc(OC)cc([C@H]2CC[N@H+](Cc3ccco3)C2)c1 ZINC000093837918 370163986 /nfs/dbraw/zinc/16/39/86/370163986.db2.gz XUCHZZZSWGKHAH-ZDUSSCGKSA-N 1 0 287.359 3.286 10 0 CGAERO Cc1cc(C)cc(C(=O)O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000100086928 370271612 /nfs/dbraw/zinc/27/16/12/370271612.db2.gz HDDNYFLPWFSBLN-ZSHCYNCHSA-N 1 0 273.376 3.085 10 0 in-man CGAERO C[C@H]([NH2+]CC(=O)N1CCC(C)CC1)c1cccc(Cl)c1 ZINC000102685987 370307442 /nfs/dbraw/zinc/30/74/42/370307442.db2.gz OCIYRUGJWSMJGT-ZDUSSCGKSA-N 1 0 294.826 3.249 10 0 CGAERO CC(C)CCc1noc(C[N@@H+]2CCCC2(C)C)n1 ZINC000102950608 370315654 /nfs/dbraw/zinc/31/56/54/370315654.db2.gz KZWZSYPYMZLHEO-UHFFFAOYSA-N 1 0 251.374 3.033 10 0 CGAERO OCCCC[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000114481407 370502055 /nfs/dbraw/zinc/50/20/55/370502055.db2.gz ZCUMTTSNHXBRRJ-MRXNPFEDSA-N 1 0 299.418 3.029 10 0 CGAERO C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116313416 370556800 /nfs/dbraw/zinc/55/68/00/370556800.db2.gz FHRCWWBXRIEMQV-RYUDHWBXSA-N 1 0 291.345 3.249 10 0 CGAERO Cn1cc([C@H]2CC[N@H+](Cc3cccc(Cl)c3)C2)cn1 ZINC000116311771 370556853 /nfs/dbraw/zinc/55/68/53/370556853.db2.gz TZJQWLKLDYMZCX-ZDUSSCGKSA-N 1 0 275.783 3.063 10 0 CGAERO Cn1ncc(Cl)c1C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000130423793 371033421 /nfs/dbraw/zinc/03/34/21/371033421.db2.gz UDTVOSKIRPSGCO-UHFFFAOYSA-N 1 0 295.736 3.284 10 0 CGAERO CCCC[C@@H](C[NH3+])Nc1ncnc2sc(C)c(C)c21 ZINC000130586515 371044112 /nfs/dbraw/zinc/04/41/12/371044112.db2.gz UZLVCIIMAATGLK-NSHDSACASA-N 1 0 278.425 3.238 10 0 CGAERO Cn1cncc1C[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000131778119 371129496 /nfs/dbraw/zinc/12/94/96/371129496.db2.gz QQUIEWCUVAYGAK-MRXNPFEDSA-N 1 0 269.392 3.223 10 0 CGAERO C[C@@H](Cc1ccccc1)C[NH+]1CCC(c2ccnn2C)CC1 ZINC000132276356 371162745 /nfs/dbraw/zinc/16/27/45/371162745.db2.gz UHSRUGZIHFEBAW-INIZCTEOSA-N 1 0 297.446 3.478 10 0 CGAERO CC(C)CCOc1ccc(C[NH2+][C@H]2CCO[C@@H]2C)cc1 ZINC000134241155 371314681 /nfs/dbraw/zinc/31/46/81/371314681.db2.gz CIBYEWLJVJBGKS-PBHICJAKSA-N 1 0 277.408 3.379 10 0 CGAERO CC(C)CC[C@@H]1CCC[N@@H+]1Cc1nnc(C(C)C)n1C ZINC000135312052 371413070 /nfs/dbraw/zinc/41/30/70/371413070.db2.gz QWKGMFRYYIZBGH-AWEZNQCLSA-N 1 0 278.444 3.339 10 0 CGAERO C[C@@H]([NH2+][C@@H](C)CC(N)=O)c1c(Cl)ccc(F)c1Cl ZINC000135717773 371446959 /nfs/dbraw/zinc/44/69/59/371446959.db2.gz IJAKOFCKGCZULH-NKWVEPMBSA-N 1 0 293.169 3.047 10 0 CGAERO CCCOc1cccc(NC(=O)[C@H](CCC)[NH+](C)C)c1 ZINC000135814674 371449559 /nfs/dbraw/zinc/44/95/59/371449559.db2.gz HSWOZVJRGAHCLG-HNNXBMFYSA-N 1 0 278.396 3.144 10 0 CGAERO CC(C)CSCCC[NH+]1CCC(Cn2cccn2)CC1 ZINC000152868088 371730755 /nfs/dbraw/zinc/73/07/55/371730755.db2.gz ZCDZCSIDJOBUKS-UHFFFAOYSA-N 1 0 295.496 3.374 10 0 CGAERO CCCN(CCC)C(=O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 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CCC[C@H](C(=O)NCc1oc2ccccc2c1C)[NH+](C)C ZINC000162157729 372378286 /nfs/dbraw/zinc/37/82/86/372378286.db2.gz SVRRNUAHPXUAJX-CQSZACIVSA-N 1 0 288.391 3.088 10 0 CGAERO CCC(CC)CC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000164646313 372527808 /nfs/dbraw/zinc/52/78/08/372527808.db2.gz HNNXCMAGZUQCEH-MRXNPFEDSA-N 1 0 276.424 3.232 10 0 CGAERO CCn1c(C)nnc1C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000170986490 372695078 /nfs/dbraw/zinc/69/50/78/372695078.db2.gz AEURTHBLQIPTJN-UONOGXRCSA-N 1 0 278.444 3.301 10 0 CGAERO CC(C)c1ccc([C@H](C)NC(=O)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000054307054 541881068 /nfs/dbraw/zinc/88/10/68/541881068.db2.gz DRAFEQGOBCKBHI-GJZGRUSLSA-N 1 0 288.435 3.377 10 0 CGAERO C[C@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171620274 372795738 /nfs/dbraw/zinc/79/57/38/372795738.db2.gz CYQKOTMQIZQAGI-DOMZBBRYSA-N 1 0 290.798 3.330 10 0 CGAERO Cc1ccc([C@@H]2CCCC[N@H+]2CCC(=O)NC(C)C)o1 ZINC000172869090 373053528 /nfs/dbraw/zinc/05/35/28/373053528.db2.gz DNVFFHGHNXHNGR-AWEZNQCLSA-N 1 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DGKIQSGYZZJJAT-MNOVXSKESA-N 1 0 298.377 3.309 10 0 CGAERO CSc1cc2c(cc1C[NH2+]CCC1CC1)OCCO2 ZINC000088455210 165195916 /nfs/dbraw/zinc/19/59/16/165195916.db2.gz VRZWABHQSXHCSH-UHFFFAOYSA-N 1 0 279.405 3.069 10 0 CGAERO CC(C)Cc1ccc([C@@H](C)NC(=O)C[C@@H]2CC[NH2+]C2)cc1 ZINC000089741931 165212727 /nfs/dbraw/zinc/21/27/27/165212727.db2.gz FFHNFBRQLFGHBT-ZBFHGGJFSA-N 1 0 288.435 3.062 10 0 CGAERO CCn1cncc1C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000090171968 165228081 /nfs/dbraw/zinc/22/80/81/165228081.db2.gz WIUYMQYBGSWEPK-GHMZBOCLSA-N 1 0 275.318 3.114 10 0 CGAERO CCn1cccc1C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000091023985 165249302 /nfs/dbraw/zinc/24/93/02/165249302.db2.gz HJLWSCWLSNCZIS-LBPRGKRZSA-N 1 0 272.348 3.088 10 0 CGAERO CCCn1ccc(C[NH2+]Cc2ccc(OC)c(OC)c2)c1 ZINC000091009560 165250822 /nfs/dbraw/zinc/25/08/22/165250822.db2.gz HXKQKFOVUWZGNX-UHFFFAOYSA-N 1 0 288.391 3.205 10 0 CGAERO CCCn1ccc(C[NH2+]C[C@H](c2ccccc2)N(C)C)c1 ZINC000091009469 165251552 /nfs/dbraw/zinc/25/15/52/165251552.db2.gz NJTKZRPPJKYPOH-GOSISDBHSA-N 1 0 285.435 3.291 10 0 CGAERO COc1ccc([C@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)C2CC2)cc1 ZINC000091397935 165262242 /nfs/dbraw/zinc/26/22/42/165262242.db2.gz KTOIZLQFLDCYJX-CRAIPNDOSA-N 1 0 297.402 3.017 10 0 CGAERO OC1CC(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000091415791 287107791 /nfs/dbraw/zinc/10/77/91/287107791.db2.gz MSLOZRBWFZEEKD-LBRDCAJSSA-N 1 0 265.784 3.152 10 0 CGAERO CCCCc1ccc([C@@H](C)[NH2+]CC2CC(O)C2)cc1 ZINC000091424537 287107808 /nfs/dbraw/zinc/10/78/08/287107808.db2.gz AUQBHUQKYNYKTI-BZOOQXSSSA-N 1 0 261.409 3.451 10 0 CGAERO OC1CC(C[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)C1 ZINC000091525552 287108541 /nfs/dbraw/zinc/10/85/41/287108541.db2.gz KSUKEYJGCVZGCQ-OKEQZYBDSA-N 1 0 259.393 3.073 10 0 CGAERO CC1(C)CO[C@H](c2ccccc2)C[N@@H+]1CC1=CCCOC1 ZINC000092973593 165322088 /nfs/dbraw/zinc/32/20/88/165322088.db2.gz JREWVJYJVIIKIJ-KRWDZBQOSA-N 1 0 287.403 3.185 10 0 CGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(F)cc1F ZINC000094449421 165350085 /nfs/dbraw/zinc/35/00/85/165350085.db2.gz RNWMSIDLBXTXOJ-LSDHHAIUSA-N 1 0 280.362 3.023 10 0 CGAERO CCCC[C@@H]([NH3+])C(=O)NCC1(CC(C)C)CCCC1 ZINC000094876015 165396802 /nfs/dbraw/zinc/39/68/02/165396802.db2.gz AXFZBZQMBLWRGZ-CQSZACIVSA-N 1 0 268.445 3.227 10 0 CGAERO Cc1ccccc1[C@H](C)CC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261692495 165828310 /nfs/dbraw/zinc/82/83/10/165828310.db2.gz DGQLRPDIQYRDRM-ZBFHGGJFSA-N 1 0 288.435 3.074 10 0 CGAERO Cc1ccc(C[NH2+][C@H]2C[C@@H]2C)cc1Br ZINC000119857458 287174682 /nfs/dbraw/zinc/17/46/82/287174682.db2.gz CAJUVVVIZYMQDC-CABZTGNLSA-N 1 0 254.171 3.256 10 0 CGAERO Cc1ccc(C[NH2+][C@@H]2C[C@@H]2C)cc1Br ZINC000119857306 287174748 /nfs/dbraw/zinc/17/47/48/287174748.db2.gz CAJUVVVIZYMQDC-JOYOIKCWSA-N 1 0 254.171 3.256 10 0 CGAERO C[C@H]1OCC[C@H]1[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000120561876 287183923 /nfs/dbraw/zinc/18/39/23/287183923.db2.gz JBTINGWODKBWKN-NOZJJQNGSA-N 1 0 274.191 3.303 10 0 CGAERO CCC[C@@H](C(=O)Nc1ccc(CC)c(F)c1)[NH+](C)C ZINC000120610331 287184537 /nfs/dbraw/zinc/18/45/37/287184537.db2.gz TUTXHAQBGWYFBD-AWEZNQCLSA-N 1 0 266.360 3.057 10 0 CGAERO CC(C)=CN(CCC[NH+](C)C)C(=O)c1ccccc1 ZINC000003172641 169864730 /nfs/dbraw/zinc/86/47/30/169864730.db2.gz ICFVJNCMUBSSPY-UHFFFAOYSA-N 1 0 260.381 3.004 10 0 CGAERO Cc1ccc(/C=C/C(=O)OC[C@@H]2CCC[N@@H+]2CC2CC2)cc1 ZINC000009972606 170392379 /nfs/dbraw/zinc/39/23/79/170392379.db2.gz PTDAFHKFOSLPEG-ZGKFYVQTSA-N 1 0 299.414 3.426 10 0 CGAERO C[NH2+]CC[C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000011630291 170429302 /nfs/dbraw/zinc/42/93/02/170429302.db2.gz GOKBYMYFEMLSDQ-KRWDZBQOSA-N 1 0 255.361 3.437 10 0 CGAERO C[C@@H](OCCOc1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000019386700 170779812 /nfs/dbraw/zinc/77/98/12/170779812.db2.gz GSRUPJQTAFZCMG-RHSMWYFYSA-N 1 0 271.360 3.171 10 0 CGAERO NC(=[NH2+])c1ccccc1OCc1cccc(Cl)c1 ZINC000019437298 170800434 /nfs/dbraw/zinc/80/04/34/170800434.db2.gz UYXIMYORPICFIZ-UHFFFAOYSA-N 1 0 260.724 3.203 10 0 CGAERO [NH3+]C[C@H]1CCN(c2cc(C(F)(F)F)ccc2Cl)C1 ZINC000019808223 170877351 /nfs/dbraw/zinc/87/73/51/170877351.db2.gz HKJZIQWOHMZTMP-MRVPVSSYSA-N 1 0 278.705 3.144 10 0 CGAERO [NH3+][C@H](c1c(F)cc(F)cc1F)[C@H]1Cc2ccccc2O1 ZINC000019971807 170956090 /nfs/dbraw/zinc/95/60/90/170956090.db2.gz WUUODGSXXIFFRM-HIFRSBDPSA-N 1 0 279.261 3.107 10 0 CGAERO COc1ccc(CN2Cc3ccccc3C2=[NH2+])cc1 ZINC000020078773 170985286 /nfs/dbraw/zinc/98/52/86/170985286.db2.gz BYMWIDRGPQTZNM-UHFFFAOYSA-N 1 0 252.317 3.036 10 0 CGAERO CC(C)[C@H](CNCc1ccc([C@H]2C[C@@H]2C)o1)[NH+](C)C ZINC000020145564 171030732 /nfs/dbraw/zinc/03/07/32/171030732.db2.gz MBUVMFHIUBQTRX-QEJZJMRPSA-N 1 0 264.413 3.079 10 0 CGAERO Cc1cccc([C@@H](C[NH3+])N(C)Cc2ccccc2F)c1 ZINC000020225491 171088988 /nfs/dbraw/zinc/08/89/88/171088988.db2.gz STTAJGWILNVCFA-QGZVFWFLSA-N 1 0 272.367 3.266 10 0 CGAERO CCCOc1cccc([C@H](CN)[N@H+](C)CC(C)C)c1 ZINC000020226617 171091623 /nfs/dbraw/zinc/09/16/23/171091623.db2.gz DLQOVMGDKWYWFP-INIZCTEOSA-N 1 0 264.413 3.063 10 0 CGAERO CN(CC1CC1)[C@H](C[NH3+])c1c(Cl)cccc1Cl ZINC000020226717 171092078 /nfs/dbraw/zinc/09/20/78/171092078.db2.gz QGKNIFYZVOMBJB-GFCCVEGCSA-N 1 0 273.207 3.335 10 0 CGAERO CC(C)c1nccn1[C@H]1CCc2ccccc2[C@H]1[NH3+] ZINC000020261731 171119266 /nfs/dbraw/zinc/11/92/66/171119266.db2.gz NZAQQMVOGAOGFH-LSDHHAIUSA-N 1 0 255.365 3.194 10 0 CGAERO Cc1nc(-c2ccccc2Cl)sc1CC[NH3+] ZINC000020273815 171130829 /nfs/dbraw/zinc/13/08/29/171130829.db2.gz USUALADBFMKHSD-UHFFFAOYSA-N 1 0 252.770 3.273 10 0 CGAERO CCC[C@@H](C)NC(=O)[C@H](C)[NH2+]C1CCCCCCC1 ZINC000020365576 171164024 /nfs/dbraw/zinc/16/40/24/171164024.db2.gz ZDFUOWQSTUZEJG-KGLIPLIRSA-N 1 0 268.445 3.382 10 0 CGAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+]C1CCCCCCC1 ZINC000020365579 171164406 /nfs/dbraw/zinc/16/44/06/171164406.db2.gz GWEQSYHFLLYXOF-ZDUSSCGKSA-N 1 0 268.445 3.382 10 0 CGAERO [NH3+][C@@H](Cc1ccc(O)cc1)c1nc2cc(Cl)ccc2[nH]1 ZINC000020374751 171170239 /nfs/dbraw/zinc/17/02/39/171170239.db2.gz SAFQQVPNYNWUMH-LBPRGKRZSA-N 1 0 287.750 3.164 10 0 CGAERO CCCCCNC(=O)[C@@H](C)Oc1ccc([C@@H]([NH3+])CC)cc1 ZINC000020419586 171184684 /nfs/dbraw/zinc/18/46/84/171184684.db2.gz NQNRDQMDRCYTAV-CJNGLKHVSA-N 1 0 292.423 3.170 10 0 CGAERO CC[C@@H]([NH3+])c1ccccc1O[C@@H](C)C(=O)NC(C)(C)CC ZINC000020419894 171185382 /nfs/dbraw/zinc/18/53/82/171185382.db2.gz PVEMGQBXMCLSEA-GXTWGEPZSA-N 1 0 292.423 3.169 10 0 CGAERO CC[NH+]1CCC(Nc2cccc(Cl)c2F)CC1 ZINC000020472459 171215731 /nfs/dbraw/zinc/21/57/31/171215731.db2.gz PONAHBWWJBPYCB-UHFFFAOYSA-N 1 0 256.752 3.375 10 0 CGAERO CC(C)Oc1ccc(NC(=O)c2ccc(C[NH3+])cc2)cc1 ZINC000020472691 171215979 /nfs/dbraw/zinc/21/59/79/171215979.db2.gz NYMPZICITRONOO-UHFFFAOYSA-N 1 0 284.359 3.185 10 0 CGAERO COC(C)(C)C[C@@H](C)[NH2+]C[C@@H](c1cccs1)N(C)C ZINC000020524699 171237921 /nfs/dbraw/zinc/23/79/21/171237921.db2.gz QZRXFHQACDIZSK-OLZOCXBDSA-N 1 0 284.469 3.144 10 0 CGAERO C[C@H]1CCC[C@@H]([NH2+][C@@H](CN(C)C)c2ccccc2)C1 ZINC000020561321 171251860 /nfs/dbraw/zinc/25/18/60/171251860.db2.gz FTUNIKSAAGBKJS-UAGQMJEPSA-N 1 0 260.425 3.458 10 0 CGAERO S=c1[nH]ccn1C1CC[NH+](Cc2ccccc2)CC1 ZINC000020581102 171257224 /nfs/dbraw/zinc/25/72/24/171257224.db2.gz PMBFQBPTYJJMSI-UHFFFAOYSA-N 1 0 273.405 3.009 10 0 CGAERO [NH3+]CCCCCCC(=O)Nc1ccc(F)cc1Cl ZINC000020595411 171263883 /nfs/dbraw/zinc/26/38/83/171263883.db2.gz LWMBHINZVQDIKL-UHFFFAOYSA-N 1 0 272.751 3.327 10 0 CGAERO COCCC[NH2+]Cc1cc2ccccc2nc1Cl ZINC000020967258 171282239 /nfs/dbraw/zinc/28/22/39/171282239.db2.gz NDXCBONMXRRRKC-UHFFFAOYSA-N 1 0 264.756 3.014 10 0 CGAERO CC1(C)Cc2cccc(O[C@H]3CCCCC[C@@H]3[NH3+])c2O1 ZINC000021061569 171297056 /nfs/dbraw/zinc/29/70/56/171297056.db2.gz SWIKDDOTKYXZDL-KBPBESRZSA-N 1 0 275.392 3.439 10 0 CGAERO CC(C)[C@H]([C@H](N)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000021808013 171328127 /nfs/dbraw/zinc/32/81/27/171328127.db2.gz OHQXKGZSAWRRHV-IAGOWNOFSA-N 1 0 260.425 3.443 10 0 CGAERO Cc1ccc(N)cc1NC(=O)CCC[NH+]1CCCCCC1 ZINC000022151841 171358837 /nfs/dbraw/zinc/35/88/37/171358837.db2.gz WAESDCNIGUJQRL-UHFFFAOYSA-N 1 0 289.423 3.172 10 0 CGAERO CCC[NH+](CCC)[C@H](C)C(=O)Nc1ccc(Cl)cc1N ZINC000022151857 171358965 /nfs/dbraw/zinc/35/89/65/171358965.db2.gz SXNGEVNRNYJZMC-LLVKDONJSA-N 1 0 297.830 3.371 10 0 CGAERO Cc1ccc(C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000022172414 171368924 /nfs/dbraw/zinc/36/89/24/171368924.db2.gz GPCBUINOMNDWHW-GFCCVEGCSA-N 1 0 254.333 3.267 10 0 CGAERO CC[NH+](CC)[C@H](CN)c1ccc2cc(OC)ccc2c1 ZINC000022172362 171369036 /nfs/dbraw/zinc/36/90/36/171369036.db2.gz MMUIIPBDYOFJJL-QGZVFWFLSA-N 1 0 272.392 3.190 10 0 CGAERO Cc1cccc(C(=O)Nc2cccc(C[NH3+])c2)c1C ZINC000022173748 171369225 /nfs/dbraw/zinc/36/92/25/171369225.db2.gz GOAYGNZIKKXELE-UHFFFAOYSA-N 1 0 254.333 3.014 10 0 CGAERO CCN(c1ccccc1)[C@@H](C[NH3+])c1ccc(F)cc1F ZINC000022174405 171369926 /nfs/dbraw/zinc/36/99/26/171369926.db2.gz BPXXZDVBGCQNKG-INIZCTEOSA-N 1 0 276.330 3.491 10 0 CGAERO C[C@H]([NH3+])c1ccc(NC(=O)c2ccccc2F)cc1 ZINC000022178337 171371731 /nfs/dbraw/zinc/37/17/31/171371731.db2.gz MWTJRFPXEFFLCD-JTQLQIEISA-N 1 0 258.296 3.098 10 0 CGAERO CCN(c1ccccc1)[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000022212190 171373852 /nfs/dbraw/zinc/37/38/52/171373852.db2.gz DXXHOMMONVWJKU-KRWDZBQOSA-N 1 0 270.376 3.222 10 0 CGAERO C[N@H+](CCC(=O)Nc1ccc(F)c(N)c1)C1CCCCC1 ZINC000022221796 171378260 /nfs/dbraw/zinc/37/82/60/171378260.db2.gz KNSNQYYWJXVEOM-UHFFFAOYSA-N 1 0 293.386 3.001 10 0 CGAERO CCOc1ccccc1O[C@@H]1C[C@@H](CC)CC[C@@H]1[NH3+] ZINC000022563097 171391201 /nfs/dbraw/zinc/39/12/01/171391201.db2.gz IHUALKPPXYLCNH-HEHGZKQESA-N 1 0 263.381 3.370 10 0 CGAERO CCOc1ccccc1[C@H](N)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000022564451 171391683 /nfs/dbraw/zinc/39/16/83/171391683.db2.gz JANXNJAJRSZLGQ-IJEWVQPXSA-N 1 0 276.424 3.348 10 0 CGAERO COc1ccc(-c2ccc(OCCC[NH3+])cc2)cc1 ZINC000032110129 171702235 /nfs/dbraw/zinc/70/22/35/171702235.db2.gz UGCRDRFXWUDDJX-UHFFFAOYSA-N 1 0 257.333 3.090 10 0 CGAERO COc1ccccc1-c1ccc(OCCC[NH3+])cc1 ZINC000032110127 171702270 /nfs/dbraw/zinc/70/22/70/171702270.db2.gz XNROCIHLZVCNDI-UHFFFAOYSA-N 1 0 257.333 3.090 10 0 CGAERO c1ccc(Oc2cncc(N3CC[C@@]4(CCC[NH2+]4)C3)c2)cc1 ZINC000034657691 171850503 /nfs/dbraw/zinc/85/05/03/171850503.db2.gz NYXIDUKKGAMMGZ-SFHVURJKSA-N 1 0 295.386 3.206 10 0 CGAERO C[C@H]([NH2+]C1CCCCCCCCCCC1)C(N)=O ZINC000035148903 172010690 /nfs/dbraw/zinc/01/06/90/172010690.db2.gz UNRMCNKXFBJZST-ZDUSSCGKSA-N 1 0 254.418 3.123 10 0 CGAERO C[C@@H]([NH2+][C@H]1CCc2ccccc21)C(=O)N1CCCCCC1 ZINC000035180624 172034080 /nfs/dbraw/zinc/03/40/80/172034080.db2.gz PKUGELPLLDKACQ-PBHICJAKSA-N 1 0 286.419 3.055 10 0 CGAERO C[C@H](CN1CCCCC1)[NH2+]CCCc1ccccc1 ZINC000035258950 172090767 /nfs/dbraw/zinc/09/07/67/172090767.db2.gz KLDLAFJKZFEBGZ-MRXNPFEDSA-N 1 0 260.425 3.083 10 0 CGAERO COc1ccc([C@@H]([NH3+])c2ccc(C)o2)cc1Cl ZINC000035381575 172164118 /nfs/dbraw/zinc/16/41/18/172164118.db2.gz ZBKGLTZIVSHABM-CYBMUJFWSA-N 1 0 251.713 3.298 10 0 CGAERO COc1ccc([C@@H]([NH3+])c2ccc(Br)o2)cc1C ZINC000035382657 172165671 /nfs/dbraw/zinc/16/56/71/172165671.db2.gz IPJXSEMTOMCYLK-CYBMUJFWSA-N 1 0 296.164 3.407 10 0 CGAERO CC[C@@H](C)[C@H]([NH2+]C)c1cc2c(cc1Cl)NC(=O)C2 ZINC000035507258 172239661 /nfs/dbraw/zinc/23/96/61/172239661.db2.gz VMLUBKDJFKRLMV-CLAHSXSESA-N 1 0 266.772 3.141 10 0 CGAERO CC[NH2+][C@H](c1cnn(C)c1)c1ccc(Cl)cc1Cl ZINC000035555574 172261663 /nfs/dbraw/zinc/26/16/63/172261663.db2.gz ORJURNFYOADCIA-CYBMUJFWSA-N 1 0 284.190 3.426 10 0 CGAERO CCC[NH2+][C@H](c1cccnc1)c1ccc(F)c(F)c1 ZINC000035582420 172280369 /nfs/dbraw/zinc/28/03/69/172280369.db2.gz SWBILOGTEIUVFP-HNNXBMFYSA-N 1 0 262.303 3.449 10 0 CGAERO CC(C)[NH2+][C@H]1CCOc2c(F)cc(Br)cc21 ZINC000035653870 172330831 /nfs/dbraw/zinc/33/08/31/172330831.db2.gz XFSQIUTVTNDEFE-NSHDSACASA-N 1 0 288.160 3.410 10 0 CGAERO CC[NH2+]Cc1cc(Cl)cc(Cl)c1OCCOC ZINC000035662031 172340564 /nfs/dbraw/zinc/34/05/64/172340564.db2.gz QTBIEECYJDBZCZ-UHFFFAOYSA-N 1 0 278.179 3.128 10 0 CGAERO C[N@H+](Cc1ccco1)Cc1ccc2c(c1)CCCN2 ZINC000035702290 172370488 /nfs/dbraw/zinc/37/04/88/172370488.db2.gz HDBBRDOWGOBFGH-UHFFFAOYSA-N 1 0 256.349 3.270 10 0 CGAERO CN(Cc1ccsc1)C[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000035719384 172374293 /nfs/dbraw/zinc/37/42/93/172374293.db2.gz UZDDBFMHHGGASQ-ZNMIVQPWSA-N 1 0 264.438 3.101 10 0 CGAERO CC[NH2+]Cc1cccc(NC(=O)c2cccs2)c1 ZINC000036281144 172571869 /nfs/dbraw/zinc/57/18/69/172571869.db2.gz NIMKAUWTYBVITB-UHFFFAOYSA-N 1 0 260.362 3.110 10 0 CGAERO CC[C@@H]([NH3+])[C@@H](O)c1ccc(SC(F)(F)F)cc1 ZINC000036779037 172695661 /nfs/dbraw/zinc/69/56/61/172695661.db2.gz OSSVBFIOXBSQEM-ZJUUUORDSA-N 1 0 265.300 3.069 10 0 CGAERO O[C@H]1CCC[C@H]([NH2+]C2CC(c3ccc(Cl)cc3)C2)C1 ZINC000037166187 173000530 /nfs/dbraw/zinc/00/05/30/173000530.db2.gz AHUJMYRWQPDIMI-LVBITLCTSA-N 1 0 279.811 3.479 10 0 CGAERO CCN(c1ccc(F)cc1C[NH2+]C(C)C)C1CC1 ZINC000037236561 173054568 /nfs/dbraw/zinc/05/45/68/173054568.db2.gz XRBKPXZKOSIBGS-UHFFFAOYSA-N 1 0 250.361 3.312 10 0 CGAERO C[NH2+][C@@H](Cc1ccncc1)c1nc2ccccc2s1 ZINC000037239474 173056134 /nfs/dbraw/zinc/05/61/34/173056134.db2.gz FEUTWLWUWLYVNN-ZDUSSCGKSA-N 1 0 269.373 3.195 10 0 CGAERO CCC(CC)[C@@H](CN[C@H](C)c1scnc1C)[NH+](C)C ZINC000037241187 173057802 /nfs/dbraw/zinc/05/78/02/173057802.db2.gz OIROQMYLSSYWEH-BXUZGUMPSA-N 1 0 283.485 3.469 10 0 CGAERO CC(C)[C@H](C)[N@H+](C)CC(=O)c1ccc2c(c1)CCC2 ZINC000037339094 173140573 /nfs/dbraw/zinc/14/05/73/173140573.db2.gz ZUYUQBCLDYXPRS-ZDUSSCGKSA-N 1 0 259.393 3.334 10 0 CGAERO CCn1c(C[NH2+]CC2CC2)nc2cc(Cl)ccc21 ZINC000037440400 173210470 /nfs/dbraw/zinc/21/04/70/173210470.db2.gz CZRYVKNTHGMFPR-UHFFFAOYSA-N 1 0 263.772 3.209 10 0 CGAERO CC[C@H](C)[C@H]([NH3+])c1nc2cc(Br)ccc2n1C ZINC000037441370 173211544 /nfs/dbraw/zinc/21/15/44/173211544.db2.gz XNNCMUJVIGGEEB-UFBFGSQYSA-N 1 0 296.212 3.382 10 0 CGAERO CC(C)[C@@](C)([NH3+])Cc1cccc(Br)c1 ZINC000037463788 173225264 /nfs/dbraw/zinc/22/52/64/173225264.db2.gz NDLYSJMSLWLJSX-LBPRGKRZSA-N 1 0 256.187 3.365 10 0 CGAERO [NH3+]CCCSc1ncc(C(F)(F)F)cc1Cl ZINC000037506554 173241461 /nfs/dbraw/zinc/24/14/61/173241461.db2.gz YFUISNKBOHLRPR-UHFFFAOYSA-N 1 0 270.707 3.195 10 0 CGAERO CCC[NH2+][C@H](c1cccnc1)c1cccc(OC)c1 ZINC000037534615 173254513 /nfs/dbraw/zinc/25/45/13/173254513.db2.gz VCDWSHAMGBIGQU-INIZCTEOSA-N 1 0 256.349 3.179 10 0 CGAERO CC[C@@H]([NH3+])Cc1cc(Cl)c(OC(C)C)c(OC)c1 ZINC000037723129 173641640 /nfs/dbraw/zinc/64/16/40/173641640.db2.gz YGBQJORCTYQNOG-LLVKDONJSA-N 1 0 271.788 3.416 10 0 CGAERO C[NH2+][C@H](c1cccs1)c1c(F)cc(OC)cc1F ZINC000037903421 173834793 /nfs/dbraw/zinc/83/47/93/173834793.db2.gz ZDFXMTQIKIIBFP-CYBMUJFWSA-N 1 0 269.316 3.344 10 0 CGAERO CC[C@H]1CCCN1[C@@H](C[NH3+])c1c(F)cccc1Cl ZINC000037913343 173846337 /nfs/dbraw/zinc/84/63/37/173846337.db2.gz IZPXDRIKNCLYCV-GWCFXTLKSA-N 1 0 270.779 3.353 10 0 CGAERO Cc1nc2sccn2c1C[NH2+]CCCC(C)C ZINC000038093645 174107455 /nfs/dbraw/zinc/10/74/55/174107455.db2.gz GLHVJCVQXHHSIO-UHFFFAOYSA-N 1 0 251.399 3.230 10 0 CGAERO c1ccc2c(c1)SCC[C@H]2[NH2+]CC[C@@H]1CCCO1 ZINC000038095588 174109217 /nfs/dbraw/zinc/10/92/17/174109217.db2.gz JQJPVDICZCIIGZ-GXTWGEPZSA-N 1 0 263.406 3.382 10 0 CGAERO CCC[NH2+][C@H](CO)c1ccc(-c2ccccc2)cc1 ZINC000038123387 174130297 /nfs/dbraw/zinc/13/02/97/174130297.db2.gz SRNONGRVZHDVEC-QGZVFWFLSA-N 1 0 255.361 3.387 10 0 CGAERO CC[NH2+][C@@H](Cc1cccc(OC)c1)c1ccc(C)o1 ZINC000038134765 174132290 /nfs/dbraw/zinc/13/22/90/174132290.db2.gz OTVDSYITQJVHIB-HNNXBMFYSA-N 1 0 259.349 3.490 10 0 CGAERO C[NH2+][C@H](Cc1ccc(OC)cc1)c1cc(C)oc1C ZINC000038133329 174132376 /nfs/dbraw/zinc/13/23/76/174132376.db2.gz PNBMYFGLSXEDMZ-MRXNPFEDSA-N 1 0 259.349 3.408 10 0 CGAERO CC[NH2+][C@@H](Cc1ccc(OC)cc1)c1ccc(C)o1 ZINC000038133495 174132486 /nfs/dbraw/zinc/13/24/86/174132486.db2.gz OJQTVHNQQLGESK-HNNXBMFYSA-N 1 0 259.349 3.490 10 0 CGAERO [NH3+][C@H](Cn1ccnc1)c1ccc(-c2ccccc2)cc1 ZINC000038808939 174156542 /nfs/dbraw/zinc/15/65/42/174156542.db2.gz PBHNZDOXBGKGOY-QGZVFWFLSA-N 1 0 263.344 3.250 10 0 CGAERO CCC[NH+](CCC)[C@H](CN)c1ccc(OCC)cc1 ZINC000038827620 174157170 /nfs/dbraw/zinc/15/71/70/174157170.db2.gz RVZRKTMVGCVOCW-MRXNPFEDSA-N 1 0 264.413 3.207 10 0 CGAERO CCC[NH+](CCC)[C@H](CN)c1cccc(Cl)c1 ZINC000039142641 174164626 /nfs/dbraw/zinc/16/46/26/174164626.db2.gz LBWKXYSVGLBMGA-CQSZACIVSA-N 1 0 254.805 3.462 10 0 CGAERO Cc1cc(C)cc(C(=O)NCC[NH2+]C2CCCCCC2)c1 ZINC000127482739 287288942 /nfs/dbraw/zinc/28/89/42/287288942.db2.gz ZGQHQLUWKIFBBK-UHFFFAOYSA-N 1 0 288.435 3.346 10 0 CGAERO C[NH2+]C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCCC1 ZINC000039978700 174181225 /nfs/dbraw/zinc/18/12/25/174181225.db2.gz KAVSZQWQQFZXIU-ZDUSSCGKSA-N 1 0 272.314 3.062 10 0 CGAERO C[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C(C)C ZINC000040417417 174256202 /nfs/dbraw/zinc/25/62/02/174256202.db2.gz VYCJIZYXIJNPKD-UHFFFAOYSA-N 1 0 271.286 3.355 10 0 CGAERO Cc1cccc(NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)n1 ZINC000040670062 174368316 /nfs/dbraw/zinc/36/83/16/174368316.db2.gz NRSOGEGZAYUQRR-XJKSGUPXSA-N 1 0 261.413 3.312 10 0 CGAERO FC(F)(F)c1cccc(NC[C@H]2CCC[NH2+]C2)c1 ZINC000041329364 174525959 /nfs/dbraw/zinc/52/59/59/174525959.db2.gz VPRPCTYIGIQMDH-JTQLQIEISA-N 1 0 258.287 3.117 10 0 CGAERO CCC([NH3+])(CC)CNC(=O)c1cc2c(s1)CCCCC2 ZINC000127665289 287293560 /nfs/dbraw/zinc/29/35/60/287293560.db2.gz ANAZYKBALDSNTG-UHFFFAOYSA-N 1 0 294.464 3.264 10 0 CGAERO Cc1ccc(C2CC([NH2+]C[C@@H]3CCCCO3)C2)cc1 ZINC000042815317 174885646 /nfs/dbraw/zinc/88/56/46/174885646.db2.gz NDHWTAGPOBCDGA-JCYILVPMSA-N 1 0 259.393 3.400 10 0 CGAERO CC[C@@H](C)C[C@](CC)(C[NH3+])N(C)Cc1cscn1 ZINC000042863517 174893840 /nfs/dbraw/zinc/89/38/40/174893840.db2.gz DCSFUGMWYVNDBL-TZMCWYRMSA-N 1 0 269.458 3.119 10 0 CGAERO CC[C@H](C)C[C@@](CC)(C[NH3+])N(C)Cc1cscn1 ZINC000042863515 174894045 /nfs/dbraw/zinc/89/40/45/174894045.db2.gz DCSFUGMWYVNDBL-JSGCOSHPSA-N 1 0 269.458 3.119 10 0 CGAERO C[C@H]([NH3+])[C@@H](c1ccc(F)cc1)N(C)Cc1ccsc1 ZINC000042914013 174913024 /nfs/dbraw/zinc/91/30/24/174913024.db2.gz VKEGYAWKUVEEEO-NHYWBVRUSA-N 1 0 278.396 3.408 10 0 CGAERO C[C@@H]([NH3+])[C@H](c1ccc(Cl)cc1)N(C)Cc1ccoc1 ZINC000042945789 174921678 /nfs/dbraw/zinc/92/16/78/174921678.db2.gz LNFISUIIXFBLIY-IAQYHMDHSA-N 1 0 278.783 3.453 10 0 CGAERO C[C@@H]1CCC[C@@H](O[C@@H](C[NH3+])c2cccc(F)c2)C1 ZINC000042974057 174937700 /nfs/dbraw/zinc/93/77/00/174937700.db2.gz SRPMVZHSLWKXPZ-DFBGVHRSSA-N 1 0 251.345 3.421 10 0 CGAERO C[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)N(C)CC(F)(F)F ZINC000043014892 174942068 /nfs/dbraw/zinc/94/20/68/174942068.db2.gz NHCPWUXXAYCEFB-LDYMZIIASA-N 1 0 280.721 3.222 10 0 CGAERO CC[C@H]([NH3+])[C@@H](Sc1nc[nH]n1)c1cccc(Cl)c1 ZINC000043018972 174944447 /nfs/dbraw/zinc/94/44/47/174944447.db2.gz HHWPIAPJGZIZSI-QWRGUYRKSA-N 1 0 282.800 3.029 10 0 CGAERO CC[C@@H]([NH3+])[C@@H](Sc1nccn1C)c1ccccc1F ZINC000043049052 174958037 /nfs/dbraw/zinc/95/80/37/174958037.db2.gz JUIIGOLRKRPXGE-OLZOCXBDSA-N 1 0 279.384 3.130 10 0 CGAERO C[C@@H]([NH3+])[C@@H](c1ccccc1Cl)N1CCCSCC1 ZINC000043051913 174960358 /nfs/dbraw/zinc/96/03/58/174960358.db2.gz ROALBLVTPQPRCE-RISCZKNCSA-N 1 0 284.856 3.167 10 0 CGAERO C[C@@H]([NH3+])[C@H](c1cccs1)n1cnc2ccccc21 ZINC000043107085 174973346 /nfs/dbraw/zinc/97/33/46/174973346.db2.gz QBYUNMKCWOFNFO-QMTHXVAHSA-N 1 0 257.362 3.034 10 0 CGAERO COCCCC[NH2+]Cc1sccc1Br ZINC000044658601 175225757 /nfs/dbraw/zinc/22/57/57/175225757.db2.gz YAEJELAFJHMQHF-UHFFFAOYSA-N 1 0 278.215 3.027 10 0 CGAERO CCN(C[C@@H]([NH3+])c1ccccc1)c1cccc(F)c1 ZINC000044881117 175269385 /nfs/dbraw/zinc/26/93/85/175269385.db2.gz YKFUOEDABZJKJM-MRXNPFEDSA-N 1 0 258.340 3.352 10 0 CGAERO CCCn1nc(C[NH2+][C@@H](C)CC)c(-c2ccccc2)n1 ZINC000045944942 175387480 /nfs/dbraw/zinc/38/74/80/175387480.db2.gz YFCRYTKEWLCCKC-ZDUSSCGKSA-N 1 0 272.396 3.243 10 0 CGAERO CCCC[C@@H]1CCCN1c1cc(C2CC[NH2+]CC2)ncn1 ZINC000067847416 175796888 /nfs/dbraw/zinc/79/68/88/175796888.db2.gz ZRGLGBBMPBFAIJ-OAHLLOKOSA-N 1 0 288.439 3.103 10 0 CGAERO CC(C)[C@@H]1[NH2+]CCc2ccc(Br)cc21 ZINC000070821304 176007445 /nfs/dbraw/zinc/00/74/45/176007445.db2.gz NSVVXAIHLHBHME-LBPRGKRZSA-N 1 0 254.171 3.292 10 0 CGAERO COc1ccc(C[C@@](C)([NH3+])Cc2cccs2)cc1 ZINC000071169573 176050665 /nfs/dbraw/zinc/05/06/65/176050665.db2.gz ZOIGHRSPWDPGDD-OAHLLOKOSA-N 1 0 261.390 3.259 10 0 CGAERO Cc1c([C@H](C)[NH3+])cnn1Cc1cccc(Br)c1 ZINC000071194377 176075753 /nfs/dbraw/zinc/07/57/53/176075753.db2.gz MJLBKJPZYBXAPT-VIFPVBQESA-N 1 0 294.196 3.022 10 0 CGAERO CC[C@@H]1CN(Cc2ccccc2F)[C@H](C(C)C)C[NH2+]1 ZINC000071343753 176131064 /nfs/dbraw/zinc/13/10/64/176131064.db2.gz NNVVVOCOXPDLKK-ZBFHGGJFSA-N 1 0 264.388 3.034 10 0 CGAERO Brc1ccc(C2=CCC[NH2+]CC2)cc1 ZINC000071573922 176200522 /nfs/dbraw/zinc/20/05/22/176200522.db2.gz OFLJNWCKEXANOS-UHFFFAOYSA-N 1 0 252.155 3.216 10 0 CGAERO [NH3+]Cc1ccc2nc(-c3cccc(Cl)c3)[nH]c2c1 ZINC000071583178 176208234 /nfs/dbraw/zinc/20/82/34/176208234.db2.gz YEJHRTPPJHVMGT-UHFFFAOYSA-N 1 0 257.724 3.342 10 0 CGAERO CC[NH2+][C@@H](C)C(=O)c1cc(C(C)(C)C)ccc1OC ZINC000071595591 176218768 /nfs/dbraw/zinc/21/87/68/176218768.db2.gz WCTJJYUYYVBXEJ-NSHDSACASA-N 1 0 263.381 3.173 10 0 CGAERO CC[NH2+]CC(=O)c1cc(C)cc(C(C)(C)C)c1OC ZINC000071595994 176219243 /nfs/dbraw/zinc/21/92/43/176219243.db2.gz UFLKFTVBDXJGOT-UHFFFAOYSA-N 1 0 263.381 3.093 10 0 CGAERO CC(C)[NH2+][C@@H](C)[C@@H](O)c1ccc(OC(C)(C)C)cc1 ZINC000071598015 176221487 /nfs/dbraw/zinc/22/14/87/176221487.db2.gz BTVVVVBZHGBALS-SWLSCSKDSA-N 1 0 265.397 3.284 10 0 CGAERO COc1c([C@@H](C)OCC[NH3+])cc(C)cc1C(C)(C)C ZINC000071598094 176221595 /nfs/dbraw/zinc/22/15/95/176221595.db2.gz OLMZNSBNWHMLRZ-GFCCVEGCSA-N 1 0 265.397 3.337 10 0 CGAERO CC(C)[NH2+][C@@H](C)[C@H](O)c1ccc(OC(C)C)c(F)c1 ZINC000071600649 176226558 /nfs/dbraw/zinc/22/65/58/176226558.db2.gz ARWXGBMPQRSDSX-NHYWBVRUSA-N 1 0 269.360 3.033 10 0 CGAERO COc1cc(C)c(Cl)cc1[C@@H](OCC[NH3+])C1CC1 ZINC000071600948 176226977 /nfs/dbraw/zinc/22/69/77/176226977.db2.gz QNYYKKLJZPYRKF-AWEZNQCLSA-N 1 0 269.772 3.083 10 0 CGAERO FC(F)(F)c1ccc(Cl)c(N2CCC[NH2+]CC2)c1 ZINC000071630004 176235892 /nfs/dbraw/zinc/23/58/92/176235892.db2.gz QDQDASKAERYIHU-UHFFFAOYSA-N 1 0 278.705 3.159 10 0 CGAERO Clc1ccc(-c2ccc([C@H]3C[NH2+]CCO3)nc2)cc1 ZINC000072384548 176388859 /nfs/dbraw/zinc/38/88/59/176388859.db2.gz JVHVDYVEDJQQSA-OAHLLOKOSA-N 1 0 274.751 3.063 10 0 CGAERO Cc1[nH]nc2c1[C@H]([NH3+])C[C@@H](c1cccc(Cl)c1)C2 ZINC000072415310 176399326 /nfs/dbraw/zinc/39/93/26/176399326.db2.gz RHIFWFUMIJFLAS-ZYHUDNBSSA-N 1 0 261.756 3.101 10 0 CGAERO Cc1cc(C(C)(C)C)cc(C)c1CCN(C)CC[NH3+] ZINC000076358151 177000005 /nfs/dbraw/zinc/00/00/05/177000005.db2.gz SQOGAZNZKFLRNF-UHFFFAOYSA-N 1 0 262.441 3.034 10 0 CGAERO CC(C)c1ccccc1NC(=O)C[C@@H](C[NH3+])C(C)C ZINC000076675737 177055910 /nfs/dbraw/zinc/05/59/10/177055910.db2.gz YGFORDJKKUZPJF-ZDUSSCGKSA-N 1 0 262.397 3.370 10 0 CGAERO C[C@@H](CCC[NH3+])C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000076675911 177055957 /nfs/dbraw/zinc/05/59/57/177055957.db2.gz BLLHSADWTWGTFL-LBPRGKRZSA-N 1 0 262.397 3.298 10 0 CGAERO Cc1ccc(C)c(NC(=O)[C@@H](CC[NH3+])CC(C)C)c1 ZINC000076675517 177056052 /nfs/dbraw/zinc/05/60/52/177056052.db2.gz RYJRBICUMNDGLD-AWEZNQCLSA-N 1 0 262.397 3.253 10 0 CGAERO Brc1cccc(C[C@H]2CCCC[NH2+]C2)c1 ZINC000076700250 177062098 /nfs/dbraw/zinc/06/20/98/177062098.db2.gz JKYJMUARYLWIQE-GFCCVEGCSA-N 1 0 268.198 3.381 10 0 CGAERO C[NH2+][C@H](C)c1csc(Cc2ccccc2OC)n1 ZINC000076784771 177092116 /nfs/dbraw/zinc/09/21/16/177092116.db2.gz UYPKGZBCCNNYEA-SNVBAGLBSA-N 1 0 262.378 3.023 10 0 CGAERO C[NH2+][C@@H](C)c1csc(-c2cc(OC)cc(OC)c2)n1 ZINC000076784882 177092251 /nfs/dbraw/zinc/09/22/51/177092251.db2.gz TUKWWSQDEJPKCJ-VIFPVBQESA-N 1 0 278.377 3.108 10 0 CGAERO Cc1cc2ccccc2nc1NC1CCC([NH3+])CC1 ZINC000063105507 416487986 /nfs/dbraw/zinc/48/79/86/416487986.db2.gz ULCUDRCTOMKUQY-UHFFFAOYSA-N 1 0 255.365 3.225 10 0 CGAERO Cc1ccc(C[NH2+][C@H]2CCC[C@H](O)C2)c(Cl)c1 ZINC000404529139 416555181 /nfs/dbraw/zinc/55/51/81/416555181.db2.gz VQOPFCBXVWWVRD-STQMWFEESA-N 1 0 253.773 3.042 10 0 CGAERO COCCOCCCC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000130233544 287348431 /nfs/dbraw/zinc/34/84/31/287348431.db2.gz ZISKHBUTZJSICD-GVDBMIGSSA-N 1 0 285.472 3.480 10 0 CGAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CC1(CO)CCC1 ZINC000680355081 543703290 /nfs/dbraw/zinc/70/32/90/543703290.db2.gz PDGFKNYETOWLAM-KGLIPLIRSA-N 1 0 253.430 3.344 10 0 CGAERO C[C@H](Cc1ccccc1)C[NH+]1CCC(c2ccnn2C)CC1 ZINC000132276530 287400595 /nfs/dbraw/zinc/40/05/95/287400595.db2.gz UHSRUGZIHFEBAW-MRXNPFEDSA-N 1 0 297.446 3.478 10 0 CGAERO CC(C)C1([NH+]2CCC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000685961931 544111027 /nfs/dbraw/zinc/11/10/27/544111027.db2.gz YGKOCWUVSUNISV-UHFFFAOYSA-N 1 0 282.428 3.118 10 0 CGAERO CC(C)(C)C[C@H]1C[NH2+][C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000725255405 544113463 /nfs/dbraw/zinc/11/34/63/544113463.db2.gz AONKKCSGZFHZDE-DYVFJYSZSA-N 1 0 296.455 3.412 10 0 CGAERO C[C@H]([NH2+]C1CC(CO)C1)c1cc2c(s1)CCCC2 ZINC000658352820 418947060 /nfs/dbraw/zinc/94/70/60/418947060.db2.gz BBMWZACCTBYJKX-ZBOXLXRLSA-N 1 0 265.422 3.048 10 0 CGAERO CN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)C1CC(C)(C)CC(C)(C)C1 ZINC000659346372 418979036 /nfs/dbraw/zinc/97/90/36/418979036.db2.gz CODCBUAMOCUENM-OLZOCXBDSA-N 1 0 280.456 3.177 10 0 CGAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCC(C)(C)CC(C)(C)C1 ZINC000659357011 418980053 /nfs/dbraw/zinc/98/00/53/418980053.db2.gz CVSPLMNEFMCGBS-KBPBESRZSA-N 1 0 280.456 3.049 10 0 CGAERO Cc1sc2nc(C)nc(NCC3([NH3+])CCCC3)c2c1C ZINC000656610660 419186274 /nfs/dbraw/zinc/18/62/74/419186274.db2.gz MIMDUIBCMOHEFM-UHFFFAOYSA-N 1 0 290.436 3.300 10 0 CGAERO CCOc1ccccc1[C@H](C)[NH2+][C@H]1CO[C@@H](CC)C1 ZINC000657336932 419253654 /nfs/dbraw/zinc/25/36/54/419253654.db2.gz AXQGNKMMRKAHJR-MJBXVCDLSA-N 1 0 263.381 3.303 10 0 CGAERO Cc1cnn(CC[NH2+]C2CCC(C3CCC3)CC2)c1 ZINC000657354185 419258895 /nfs/dbraw/zinc/25/88/95/419258895.db2.gz ZMWPGFNHQSKTDT-UHFFFAOYSA-N 1 0 261.413 3.140 10 0 CGAERO C[C@@H]1CC(C[NH2+]Cc2ccc(F)c(F)c2F)C[C@@H](C)O1 ZINC000657455820 419283353 /nfs/dbraw/zinc/28/33/53/419283353.db2.gz MNHQVTFDDULMQD-NXEZZACHSA-N 1 0 287.325 3.397 10 0 CGAERO CCOC1CCC([NH2+]CC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000658000698 419488198 /nfs/dbraw/zinc/48/81/98/419488198.db2.gz GHFWRTYBCXUHNF-VRLRAXNCSA-N 1 0 269.429 3.127 10 0 CGAERO C[C@H](COCc1ccccc1)N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000390565824 262219066 /nfs/dbraw/zinc/21/90/66/262219066.db2.gz PLHLCVAPGYBSAY-ZMYBRWDISA-N 1 0 296.414 3.326 10 0 CGAERO CSC[C@H](O)C[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000188212094 262284726 /nfs/dbraw/zinc/28/47/26/262284726.db2.gz YEOKUMDFNUWAMF-IUODEOHRSA-N 1 0 281.465 3.359 10 0 CGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@H]1CCCCC1(F)F ZINC000390863440 262355810 /nfs/dbraw/zinc/35/58/10/262355810.db2.gz CIRCDUWFRDOGBJ-RBSFLKMASA-N 1 0 286.410 3.371 10 0 CGAERO COc1ccc([C@@H](C)[NH2+][C@@H](CC(C)C)CN(C)C)cc1F ZINC000037166949 270028691 /nfs/dbraw/zinc/02/86/91/270028691.db2.gz DOIXAIFVAVRHEU-HIFRSBDPSA-N 1 0 296.430 3.461 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000037167166 270028837 /nfs/dbraw/zinc/02/88/37/270028837.db2.gz DURCBPRKIONHPA-UKRRQHHQSA-N 1 0 292.423 3.042 10 0 CGAERO CC(C)C[C@@H](C)[NH2+][C@@H]1CCN(CCc2ccccc2)C1 ZINC000040671375 270029774 /nfs/dbraw/zinc/02/97/74/270029774.db2.gz SJWPEZKNASDDIZ-SJLPKXTDSA-N 1 0 274.452 3.328 10 0 CGAERO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(=O)NCCC(C)C ZINC000042337300 270032619 /nfs/dbraw/zinc/03/26/19/270032619.db2.gz YHWYQZLXNLOUQK-CABCVRRESA-N 1 0 276.424 3.196 10 0 CGAERO C[C@@H]([NH2+][C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000105783423 270047990 /nfs/dbraw/zinc/04/79/90/270047990.db2.gz OFKIZUPYQGUARO-UMVBOHGHSA-N 1 0 296.455 3.410 10 0 CGAERO [NH3+][C@H](CF)c1cc(Cl)ccc1Br ZINC000238683964 265368018 /nfs/dbraw/zinc/36/80/18/265368018.db2.gz PIVVAYGYCDUWRR-MRVPVSSYSA-N 1 0 252.514 3.072 10 0 CGAERO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1nnc(C(C)C)n1C ZINC000191831861 270076405 /nfs/dbraw/zinc/07/64/05/270076405.db2.gz MOPABYZNKVUVLI-KGLIPLIRSA-N 1 0 278.444 3.387 10 0 CGAERO CCc1nnc(C[NH2+][C@H]2CCC[C@H]2CCC(C)C)n1C ZINC000191878221 270076510 /nfs/dbraw/zinc/07/65/10/270076510.db2.gz CCOFHKDWQGQXAC-KBPBESRZSA-N 1 0 278.444 3.072 10 0 CGAERO CCC[C@H](CC)NC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000195398638 270084697 /nfs/dbraw/zinc/08/46/97/270084697.db2.gz QKLBRQUWEKZXPQ-JKSUJKDBSA-N 1 0 291.439 3.167 10 0 CGAERO CC(C)c1ccc(C[NH2+][C@H]2CCCC[C@H]2CO)cc1 ZINC000219031219 270085796 /nfs/dbraw/zinc/08/57/96/270085796.db2.gz AQVGSTPHDSOODQ-IRXDYDNUSA-N 1 0 261.409 3.451 10 0 CGAERO O[C@]12CCCC[C@H]1C[N@H+](Cc1ccccc1Cl)CC2 ZINC000220406313 270086016 /nfs/dbraw/zinc/08/60/16/270086016.db2.gz KRVFXROQYIAICJ-HOCLYGCPSA-N 1 0 279.811 3.467 10 0 CGAERO CCn1nc(C)c([C@H](C)[NH2+]Cc2cccnc2C)c1C ZINC000527988728 270148734 /nfs/dbraw/zinc/14/87/34/270148734.db2.gz UQUOIZVCBDFSOW-LBPRGKRZSA-N 1 0 272.396 3.074 10 0 CGAERO CCC[C@H](C(=O)N[C@@H](C)[C@H](C)c1ccccc1)[NH+](C)C ZINC000245512274 287666603 /nfs/dbraw/zinc/66/66/03/287666603.db2.gz NGSBOUPQYAPYFZ-OFQRWUPVSA-N 1 0 276.424 3.025 10 0 CGAERO COc1cccc([C@H](C)[N@@H+]2CCc3c(N)cccc3C2)c1 ZINC000038032505 274148884 /nfs/dbraw/zinc/14/88/84/274148884.db2.gz RRYSALMBYXULLX-ZDUSSCGKSA-N 1 0 282.387 3.397 10 0 CGAERO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000252742245 287844268 /nfs/dbraw/zinc/84/42/68/287844268.db2.gz JRVYPTWXIVEXNH-RCBQFDQVSA-N 1 0 259.393 3.467 10 0 CGAERO CC1(C)CN(C(=O)c2ccc(C[NH3+])cc2)Cc2ccccc21 ZINC000262268889 276128599 /nfs/dbraw/zinc/12/85/99/276128599.db2.gz GMDMNPKJHNPBGP-UHFFFAOYSA-N 1 0 294.398 3.079 10 0 CGAERO CCN1CCC[C@H]([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000247007154 276179162 /nfs/dbraw/zinc/17/91/62/276179162.db2.gz SZPYQKPXZRBTAR-AVGNSLFASA-N 1 0 278.362 3.181 10 0 CGAERO CCN1CCC[C@H]([NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000250219533 276376049 /nfs/dbraw/zinc/37/60/49/276376049.db2.gz DPOQBGXPPCYBSB-ILXRZTDVSA-N 1 0 252.446 3.275 10 0 CGAERO CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(NC(N)=O)cc2)C1 ZINC000251735616 276556702 /nfs/dbraw/zinc/55/67/02/276556702.db2.gz SUIGIFMDUMUYNQ-LALPHHSUSA-N 1 0 275.396 3.407 10 0 CGAERO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000044135586 277186826 /nfs/dbraw/zinc/18/68/26/277186826.db2.gz VIDFRQIELRBMKJ-IHRRRGAJSA-N 1 0 282.428 3.151 10 0 CGAERO C[C@@H]1C[C@H](N[C@@H]2CC(C)(C)Oc3ccccc32)CC[N@@H+]1C ZINC000156572538 278028220 /nfs/dbraw/zinc/02/82/20/278028220.db2.gz DXFZCXLLOGXSRX-IIAWOOMASA-N 1 0 288.435 3.361 10 0 CGAERO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccccc1)c1ccncc1 ZINC000246334833 278282707 /nfs/dbraw/zinc/28/27/07/278282707.db2.gz GKKRNUDFQFNYNX-WBAXXEDZSA-N 1 0 281.403 3.178 10 0 CGAERO CC(C)(C)OC(=O)N(CCC[NH3+])C1CCCCCC1 ZINC000037299287 278377452 /nfs/dbraw/zinc/37/74/52/278377452.db2.gz WBDACJVGCXLCOB-UHFFFAOYSA-N 1 0 270.417 3.295 10 0 CGAERO CC(C)(C)OC(=O)N1CCC(c2ccc(C[NH3+])cc2)CC1 ZINC000096974535 278382994 /nfs/dbraw/zinc/38/29/94/278382994.db2.gz HYMOUIWPYPKURO-UHFFFAOYSA-N 1 0 290.407 3.260 10 0 CGAERO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000044135597 278394529 /nfs/dbraw/zinc/39/45/29/278394529.db2.gz PMKFHKVDGNCTBC-MJBXVCDLSA-N 1 0 282.428 3.151 10 0 CGAERO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000399193213 288049818 /nfs/dbraw/zinc/04/98/18/288049818.db2.gz ADKKIWBFUWFJGH-GWCFXTLKSA-N 1 0 273.298 3.051 10 0 CGAERO Cc1ccc(C[N@H+]2C[C@@H](O)CC[C@@H]2C)cc1Br ZINC000399344880 288051031 /nfs/dbraw/zinc/05/10/31/288051031.db2.gz VLILDOAIOAWAJC-AAEUAGOBSA-N 1 0 298.224 3.103 10 0 CGAERO Cc1ccc([C@H](C)NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])c(C)c1 ZINC000399606614 288053257 /nfs/dbraw/zinc/05/32/57/288053257.db2.gz WVZHTEJRXLSRHP-IJEWVQPXSA-N 1 0 276.424 3.100 10 0 CGAERO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1ccsc1 ZINC000294418327 288066264 /nfs/dbraw/zinc/06/62/64/288066264.db2.gz NUUXWXLOMHYRFQ-FPMFFAJLSA-N 1 0 253.411 3.340 10 0 CGAERO FC(F)(F)c1ccc([C@@H]2[NH2+]CCn3cccc32)cc1 ZINC000032500420 279443484 /nfs/dbraw/zinc/44/34/84/279443484.db2.gz WAGNDEZYTOXQSG-ZDUSSCGKSA-N 1 0 266.266 3.200 10 0 CGAERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1cc(F)cc(F)c1 ZINC000094827696 279475728 /nfs/dbraw/zinc/47/57/28/279475728.db2.gz RUINRKGEPYTFPG-PGUXBMHVSA-N 1 0 269.335 3.167 10 0 CGAERO C[C@H]([NH2+][C@H]1CC(=O)N(C)c2ccccc21)C1CCCC1 ZINC000070305182 279531217 /nfs/dbraw/zinc/53/12/17/279531217.db2.gz XWCYBZRWMHAYSG-WFASDCNBSA-N 1 0 272.392 3.263 10 0 CGAERO CC(C)[C@@]([NH2+]C1CCCCCC1)(C(N)=O)c1ccccc1 ZINC000037972350 280118948 /nfs/dbraw/zinc/11/89/48/280118948.db2.gz QUMCDNPOLOCLEI-SFHVURJKSA-N 1 0 288.435 3.336 10 0 CGAERO Cc1cccc(N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000301945825 281248204 /nfs/dbraw/zinc/24/82/04/281248204.db2.gz XHJWVWDTCCOVDK-DOTOQJQBSA-N 1 0 281.403 3.465 10 0 CGAERO CCC(=O)N(c1ccccc1)[C@H](C)C[NH+]1CCCCC1 ZINC000000000604 281857658 /nfs/dbraw/zinc/85/76/58/281857658.db2.gz DHTRHEVNFFZCNU-OAHLLOKOSA-N 1 0 274.408 3.304 10 0 in-man CGAERO C[C@@H]1C[C@@H](C[NH2+][C@H]2CCCc3occc32)C[C@H](C)O1 ZINC000281463545 288511359 /nfs/dbraw/zinc/51/13/59/288511359.db2.gz DYCNTGWVZQHMSK-XFMPKHEZSA-N 1 0 263.381 3.450 10 0 CGAERO Cc1nn(C)c(C)c1[C@@H]1CCCN1c1cc[nH+]c(C)c1 ZINC000302217414 293726724 /nfs/dbraw/zinc/72/67/24/293726724.db2.gz JRUMFFIUVNHKMM-HNNXBMFYSA-N 1 0 270.380 3.082 10 0 CGAERO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CCCCC[C@H]1O ZINC000252894677 302312116 /nfs/dbraw/zinc/31/21/16/302312116.db2.gz ZJYQJBVVQPCUOC-YNEHKIRRSA-N 1 0 253.411 3.401 10 0 CGAERO C[C@@H]([NH3+])C[C@H](C)Nc1ncc(Cl)cc1Br ZINC000162903218 321888093 /nfs/dbraw/zinc/88/80/93/321888093.db2.gz HNZZPJCERHVNNM-RQJHMYQMSA-N 1 0 292.608 3.035 10 0 CGAERO CC1(C)C[C@H]([NH2+]CC2(O)CCCC2)c2ccccc2O1 ZINC000163128729 321891238 /nfs/dbraw/zinc/89/12/38/321891238.db2.gz IVKKPIOGZKAYEI-AWEZNQCLSA-N 1 0 275.392 3.184 10 0 CGAERO c1coc(-c2cc(C[N@@H+]3CC[C@@H](c4cccnc4)C3)no2)c1 ZINC000566853925 322140338 /nfs/dbraw/zinc/14/03/38/322140338.db2.gz WXMJNTNQPHFUJF-CQSZACIVSA-N 1 0 295.342 3.319 10 0 CGAERO COc1cc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)c(OC)cc1Cl ZINC000569591919 322251413 /nfs/dbraw/zinc/25/14/13/322251413.db2.gz WKQVUKPVKPXCGN-WDEREUQCSA-N 1 0 298.814 3.157 10 0 CGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000397710125 329386715 /nfs/dbraw/zinc/38/67/15/329386715.db2.gz OTLWQIRFSYHGIK-ILXRZTDVSA-N 1 0 253.430 3.342 10 0 CGAERO Brc1cccc2cc([C@@H]3CC[NH2+]C3)[nH]c21 ZINC000096948358 330381650 /nfs/dbraw/zinc/38/16/50/330381650.db2.gz PRUWVOOQVXIMIW-SECBINFHSA-N 1 0 265.154 3.007 10 0 CGAERO Brc1cccc([C@@H]2C[NH2+]CC23CCC3)c1 ZINC000536949890 330382157 /nfs/dbraw/zinc/38/21/57/330382157.db2.gz CGJBDUMEMUWXLS-LBPRGKRZSA-N 1 0 266.182 3.306 10 0 CGAERO CC[C@H]1C[NH2+]C[C@H]1c1ccccc1Br ZINC000536952546 330382565 /nfs/dbraw/zinc/38/25/65/330382565.db2.gz DXLUSFKAIDCGDP-GXSJLCMTSA-N 1 0 254.171 3.162 10 0 CGAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@@H](C)c1ccccn1 ZINC000177141987 335366820 /nfs/dbraw/zinc/36/68/20/335366820.db2.gz BQIWFLGDKXLDEN-BBRMVZONSA-N 1 0 284.407 3.330 10 0 CGAERO CCCC[C@@H]([NH2+]C[C@H](O)COC(C)(C)C)C1CCC1 ZINC000184866728 335937550 /nfs/dbraw/zinc/93/75/50/335937550.db2.gz NULGWEBWYSIPPR-LSDHHAIUSA-N 1 0 271.445 3.111 10 0 CGAERO CCn1c(C)nnc1CN(C)Cc1cccc2ccccc21 ZINC000195085407 336044724 /nfs/dbraw/zinc/04/47/24/336044724.db2.gz DDXFOQWOLLJUSN-UHFFFAOYSA-N 1 0 294.402 3.392 10 0 CGAERO [NH3+][C@@H]1CCC[C@@H](Nc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000382496589 336091642 /nfs/dbraw/zinc/09/16/42/336091642.db2.gz JNDCXGLDZCOKHW-RKDXNWHRSA-N 1 0 293.720 3.436 10 0 CGAERO O[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCCC12CCCC2 ZINC000385594621 336152234 /nfs/dbraw/zinc/15/22/34/336152234.db2.gz JNQROBQIJBKUAT-RBSFLKMASA-N 1 0 251.414 3.240 10 0 CGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCC(C)(C)CO ZINC000385885383 336159550 /nfs/dbraw/zinc/15/95/50/336159550.db2.gz LVQLQWYZEKGARB-ILXRZTDVSA-N 1 0 255.446 3.445 10 0 CGAERO CC(C)C[C@H]1CNC(C)(C)C[N@@H+]1Cc1ccccc1 ZINC000062657451 519415612 /nfs/dbraw/zinc/41/56/12/519415612.db2.gz XKSAKDPZCSZESZ-INIZCTEOSA-N 1 0 260.425 3.285 10 0 CGAERO CC(C)CCOCc1csc(C[NH2+]CC(C)C)n1 ZINC000052624402 519669555 /nfs/dbraw/zinc/66/95/55/519669555.db2.gz QIKPPGVAAAFJSA-UHFFFAOYSA-N 1 0 270.442 3.451 10 0 CGAERO CC[NH2+]C1CCN([C@@H](C)c2cccc(Cl)c2)CC1 ZINC000049526034 519909172 /nfs/dbraw/zinc/90/91/72/519909172.db2.gz DJXLMRQDTBVTSA-LBPRGKRZSA-N 1 0 266.816 3.475 10 0 CGAERO CC[NH2+]C[C@@H]1CCN(c2ccc(Br)c(C)c2)C1 ZINC000053011456 519950434 /nfs/dbraw/zinc/95/04/34/519950434.db2.gz TWQMJIBJOYECPT-LBPRGKRZSA-N 1 0 297.240 3.193 10 0 CGAERO CC[NH2+]C[C@H](OC[C@@H]1CCOC1)c1ccc(Cl)cc1 ZINC000050501191 519974419 /nfs/dbraw/zinc/97/44/19/519974419.db2.gz OHTISQAIRYFOMU-DOMZBBRYSA-N 1 0 283.799 3.044 10 0 CGAERO CCC[NH2+]Cc1sc(N2CCCCCC2)nc1C ZINC000054995634 519974477 /nfs/dbraw/zinc/97/44/77/519974477.db2.gz ILZAFQCSWYXMNA-UHFFFAOYSA-N 1 0 267.442 3.332 10 0 CGAERO CCC[NH2+]Cc1sc(N2CCC[C@@H]2CC)nc1C ZINC000054968818 519975699 /nfs/dbraw/zinc/97/56/99/519975699.db2.gz 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/nfs/dbraw/zinc/76/87/06/518768706.db2.gz HPVGADXXZUQKKL-WCQYABFASA-N 1 0 279.453 3.016 10 0 CGAERO CC(C)C[C@@H]1CNC(C)(C)C[N@@H+]1CCc1ccccc1 ZINC000062668221 519271307 /nfs/dbraw/zinc/27/13/07/519271307.db2.gz GUZPMQWLDDFOCW-QGZVFWFLSA-N 1 0 274.452 3.328 10 0 CGAERO CC(C)C[N@H+](C1CC1)[C@@H]1C[C@H](C(C)C)CC[C@@H]1O ZINC000054558371 519709683 /nfs/dbraw/zinc/70/96/83/519709683.db2.gz HPKNTPZWPBRIGG-BMFZPTHFSA-N 1 0 253.430 3.292 10 0 CGAERO CC(C)[C@@H](C)N(C)c1ncccc1C[NH2+]C(C)(C)C ZINC000051445033 519791339 /nfs/dbraw/zinc/79/13/39/519791339.db2.gz RGCSNVDHVBQNHK-CYBMUJFWSA-N 1 0 263.429 3.450 10 0 CGAERO CC(C)[C@@H](CN(C)C)[NH2+]Cc1ccc(F)cc1Cl ZINC000049205814 519793832 /nfs/dbraw/zinc/79/38/32/519793832.db2.gz YLAZIKCNISDHOP-CQSZACIVSA-N 1 0 272.795 3.155 10 0 CGAERO CC(C)[C@@H](C[NH+](C)C)Nc1nccc2sccc21 ZINC000049218644 519794151 /nfs/dbraw/zinc/79/41/51/519794151.db2.gz KMOLBODRAKUNMY-GFCCVEGCSA-N 1 0 263.410 3.294 10 0 CGAERO CC(C)[C@@H]1CN[C@@H](C(C)C)C[N@@H+]1CCc1ccccc1 ZINC000062668263 519804748 /nfs/dbraw/zinc/80/47/48/519804748.db2.gz FDVCFFRSUNNWJX-MSOLQXFVSA-N 1 0 274.452 3.184 10 0 CGAERO CC(C)[C@@H]1C[NH2+][C@@H](C(C)C)CN1Cc1ccc(F)cc1 ZINC000062670867 519804884 /nfs/dbraw/zinc/80/48/84/519804884.db2.gz RJDHLIIIDOLQQJ-SJORKVTESA-N 1 0 278.415 3.280 10 0 CGAERO CC(C)[C@H]1[NH2+]CCc2c(OC(F)(F)F)cccc21 ZINC000052095593 519828488 /nfs/dbraw/zinc/82/84/88/519828488.db2.gz RFFIOKWWNZTRDN-GFCCVEGCSA-N 1 0 259.271 3.428 10 0 CGAERO CCC1CCN(c2nc3c(s2)[C@@H]([NH3+])CCC3)CC1 ZINC000054898589 519859957 /nfs/dbraw/zinc/85/99/57/519859957.db2.gz OPMLPGYZFVWECK-NSHDSACASA-N 1 0 265.426 3.106 10 0 CGAERO CC[NH2+]CC1(Cc2ccc(CC)cc2)CCOCC1 ZINC000061674162 519913985 /nfs/dbraw/zinc/91/39/85/519913985.db2.gz JRQULBDUOGBKSL-UHFFFAOYSA-N 1 0 261.409 3.198 10 0 CGAERO CCC[NH2+]CCc1c(C)nc(C2CCCC2)nc1C ZINC000054853737 519919293 /nfs/dbraw/zinc/91/92/93/519919293.db2.gz JIFANDJGPFSAQX-UHFFFAOYSA-N 1 0 261.413 3.293 10 0 CGAERO CC[NH2+]C[C@@H](C)C(=O)Nc1c2ncsc2ccc1Cl ZINC000061230881 519938792 /nfs/dbraw/zinc/93/87/92/519938792.db2.gz UZMMIMANPSRKTI-MRVPVSSYSA-N 1 0 297.811 3.134 10 0 CGAERO CC[NH2+]C[C@@H](OC1CCCC1)c1ccccc1OC ZINC000050487930 519946243 /nfs/dbraw/zinc/94/62/43/519946243.db2.gz WLEJKKZMLHPRJS-MRXNPFEDSA-N 1 0 263.381 3.305 10 0 CGAERO CC[NH2+]C[C@@H](OCCOC(C)C)c1ccc(C)cc1 ZINC000050495031 519947705 /nfs/dbraw/zinc/94/77/05/519947705.db2.gz RZMPOSCUVKEAEK-MRXNPFEDSA-N 1 0 265.397 3.087 10 0 CGAERO CC[NH2+]C[C@@H]1CCN(c2ccc(C(C)(C)C)cc2)C1 ZINC000053010658 519951827 /nfs/dbraw/zinc/95/18/27/519951827.db2.gz XCVYRTVOCFDISL-AWEZNQCLSA-N 1 0 260.425 3.420 10 0 CGAERO CC[NH2+]Cc1cccnc1N(C)[C@@H]1CCCC[C@@H]1C ZINC000051493586 520011054 /nfs/dbraw/zinc/01/10/54/520011054.db2.gz SWUCRHDEXZIUSB-DZGCQCFKSA-N 1 0 261.413 3.206 10 0 CGAERO CC[NH2+]Cc1cnc(N2CCCC[C@H]2CC)s1 ZINC000054902485 520016023 /nfs/dbraw/zinc/01/60/23/520016023.db2.gz ZXWRXBKWQDWHKJ-LLVKDONJSA-N 1 0 253.415 3.022 10 0 CGAERO CC[NH2+]Cc1sc(N2CCC[C@H](C)C2)nc1CC ZINC000054995592 520033366 /nfs/dbraw/zinc/03/33/66/520033366.db2.gz NGRGWXJPFHRHQA-NSHDSACASA-N 1 0 267.442 3.051 10 0 CGAERO CC[NH2+]Cc1sc(N2CC[C@H](C)C2)nc1C(C)(C)C ZINC000054998435 520035160 /nfs/dbraw/zinc/03/51/60/520035160.db2.gz LZFSTGUFMYBNTO-NSHDSACASA-N 1 0 281.469 3.396 10 0 CGAERO CCC[NH2+][C@H](C)c1ccc(SCCO)c(Cl)c1 ZINC000061700218 520066295 /nfs/dbraw/zinc/06/62/95/520066295.db2.gz HHKUDGVRRIKODG-SNVBAGLBSA-N 1 0 273.829 3.485 10 0 CGAERO CC[NH2+][C@@H](c1ccc(OC)c(Cl)c1)C1CCOCC1 ZINC000061671795 520110081 /nfs/dbraw/zinc/11/00/81/520110081.db2.gz CCNIQHPIUUMFJP-OAHLLOKOSA-N 1 0 283.799 3.426 10 0 CGAERO CC[NH2+][C@@H]1CCN([C@@H](C)c2cccc(Br)c2)C1 ZINC000049568531 520120414 /nfs/dbraw/zinc/12/04/14/520120414.db2.gz BQACFQNYHVXEMO-SMDDNHRTSA-N 1 0 297.240 3.194 10 0 CGAERO CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1n1ncc2ccccc21 ZINC000050524935 520122182 /nfs/dbraw/zinc/12/21/82/520122182.db2.gz OOGORVDMLGBKDJ-BJJXKVORSA-N 1 0 257.381 3.376 10 0 CGAERO CCCCCN(C)c1nc(C)c([C@H](C)[NH2+]C)s1 ZINC000054903037 520154527 /nfs/dbraw/zinc/15/45/27/520154527.db2.gz NYQVYRFVYJTXAD-JTQLQIEISA-N 1 0 255.431 3.358 10 0 CGAERO CC[NH2+][C@H](C)c1nnc(-c2cc3ccccc3o2)o1 ZINC000050618800 520181151 /nfs/dbraw/zinc/18/11/51/520181151.db2.gz CYMHARMSMGCQIO-SECBINFHSA-N 1 0 257.293 3.153 10 0 CGAERO CC[NH2+][C@H](COc1ccccc1)Cc1ccsc1 ZINC000054437765 520201359 /nfs/dbraw/zinc/20/13/59/520201359.db2.gz SVBLKZFIJYPJKD-AWEZNQCLSA-N 1 0 261.390 3.348 10 0 CGAERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C)cc2)C12CCOCC2 ZINC000186204616 520428571 /nfs/dbraw/zinc/42/85/71/520428571.db2.gz JUPGOYKFHXXXLN-DLBZAZTESA-N 1 0 289.419 3.059 10 0 CGAERO CCCOc1cccc(-c2nc(C[NH2+]C)cs2)c1 ZINC000052921139 520439103 /nfs/dbraw/zinc/43/91/03/520439103.db2.gz OTQMXWGUNJROJH-UHFFFAOYSA-N 1 0 262.378 3.318 10 0 CGAERO CCCCN(CCCC)C(=O)[C@@H]1[C@@H](C)CCC[C@@H]1[NH3+] ZINC000055125911 520491261 /nfs/dbraw/zinc/49/12/61/520491261.db2.gz HCYWCTZLUKLZJF-SOUVJXGZSA-N 1 0 268.445 3.179 10 0 CGAERO CCC[C@@H](CCOCCC(C)C)C[NH2+]CCOC ZINC000054662939 520703539 /nfs/dbraw/zinc/70/35/39/520703539.db2.gz KXIZXVUWLHBFMW-HNNXBMFYSA-N 1 0 259.434 3.092 10 0 CGAERO CCCCOCCOC1(C[NH2+]C)CCCCCC1 ZINC000050496717 520784461 /nfs/dbraw/zinc/78/44/61/520784461.db2.gz OMGFJTRAEDTJRE-UHFFFAOYSA-N 1 0 257.418 3.132 10 0 CGAERO CCC[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1cccs1 ZINC000049544448 520787855 /nfs/dbraw/zinc/78/78/55/520787855.db2.gz XVHPPZUPYAFMDW-UPJWGTAASA-N 1 0 253.411 3.482 10 0 CGAERO CCCCOCCO[C@@H](C[NH2+]C)c1ccc(Cl)cc1 ZINC000050496294 520790857 /nfs/dbraw/zinc/79/08/57/520790857.db2.gz IXXXPYZEPFTZAM-HNNXBMFYSA-N 1 0 285.815 3.434 10 0 CGAERO CCCC[C@H](CC)COCC[NH2+]CCCOCC ZINC000053568474 521180899 /nfs/dbraw/zinc/18/08/99/521180899.db2.gz CMXRTDJYJREIET-HNNXBMFYSA-N 1 0 259.434 3.236 10 0 CGAERO CCOc1ccc(O[C@H](C)C[NH2+]CCC(C)C)cc1 ZINC000053564424 521181218 /nfs/dbraw/zinc/18/12/18/521181218.db2.gz UPIUUWGHVCQHFQ-CQSZACIVSA-N 1 0 265.397 3.488 10 0 CGAERO CCN(c1nc2c(s1)[C@H]([NH3+])CC(C)(C)C2)C(C)C ZINC000054895033 521505402 /nfs/dbraw/zinc/50/54/02/521505402.db2.gz YCRPSRDQHBXEQM-SNVBAGLBSA-N 1 0 267.442 3.350 10 0 CGAERO CCN(c1nc2c(s1)[C@H]([NH3+])CC(C)(C)C2)C1CC1 ZINC000054895266 521506023 /nfs/dbraw/zinc/50/60/23/521506023.db2.gz HILSNYHWBMKSLC-SNVBAGLBSA-N 1 0 265.426 3.104 10 0 CGAERO CC[N@@H+]1C[C@@H](c2ccccc2)NC[C@@H]1c1ccccc1 ZINC000062662856 521727465 /nfs/dbraw/zinc/72/74/65/521727465.db2.gz UGQVGGYNXLZOIW-ZWKOTPCHSA-N 1 0 266.388 3.394 10 0 CGAERO CCc1ccccc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085667145 521846387 /nfs/dbraw/zinc/84/63/87/521846387.db2.gz STUSFIXCASZYFW-JYJNAYRXSA-N 1 0 259.393 3.152 10 0 CGAERO CC[C@@H](C)CNC(=O)Nc1cccc([C@H](C)[NH2+]C)c1 ZINC000054491503 521992904 /nfs/dbraw/zinc/99/29/04/521992904.db2.gz UXUAKXROBWELPB-NEPJUHHUSA-N 1 0 263.385 3.135 10 0 CGAERO C[NH2+]C[C@H]1C[C@]1(Cc1ccccc1)c1ccccc1 ZINC000054589328 522097992 /nfs/dbraw/zinc/09/79/92/522097992.db2.gz ADBCDJRLNZRXDU-QZTJIDSGSA-N 1 0 251.373 3.406 10 0 CGAERO C[NH2+][C@@H](Cc1cccc(Cl)c1)c1cncc(F)c1 ZINC000049576269 522361716 /nfs/dbraw/zinc/36/17/16/522361716.db2.gz QUBSENMYQJBVMY-AWEZNQCLSA-N 1 0 264.731 3.377 10 0 CGAERO C[NH2+][C@@H](Cc1cnn(C)c1)Cc1ccc(Cl)cc1Cl ZINC000050542786 522362678 /nfs/dbraw/zinc/36/26/78/522362678.db2.gz WVDZRCYECYLJBU-ZDUSSCGKSA-N 1 0 298.217 3.100 10 0 CGAERO C[NH2+][C@H](C)c1cc(Cl)ccc1OCC1CCOCC1 ZINC000052171406 522444371 /nfs/dbraw/zinc/44/43/71/522444371.db2.gz LOSYQLKBWUWNAS-LLVKDONJSA-N 1 0 283.799 3.426 10 0 CGAERO C[NH2+][C@H](C)c1sc(N2CCCC[C@H]2C)nc1C ZINC000054900169 522455660 /nfs/dbraw/zinc/45/56/60/522455660.db2.gz JZKPQTVBMQWBGN-NXEZZACHSA-N 1 0 253.415 3.111 10 0 CGAERO CCc1nc([C@H]([NH2+]C2CC2)C2CCOCC2)sc1C ZINC000052179543 522457063 /nfs/dbraw/zinc/45/70/63/522457063.db2.gz FICGUBMVOBBWRY-CQSZACIVSA-N 1 0 280.437 3.234 10 0 CGAERO C[NH2+][C@H](COc1ccccc1)c1ccc(F)c(F)c1 ZINC000055237616 522471488 /nfs/dbraw/zinc/47/14/88/522471488.db2.gz XLWWYFJDJBJJRX-OAHLLOKOSA-N 1 0 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CC(C)Oc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000089387365 640644339 /nfs/dbraw/zinc/64/43/39/640644339.db2.gz PNDBWGYICGAOKA-XJKSGUPXSA-N 1 0 290.407 3.177 10 0 CGAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1ccc2ccccc2c1 ZINC000089451850 640646695 /nfs/dbraw/zinc/64/66/95/640646695.db2.gz AHULRCSTTOHJDY-ZBFHGGJFSA-N 1 0 268.360 3.153 10 0 CGAERO CCC1CCC(c2noc([C@@H]3CC[NH2+][C@H]3C)n2)CC1 ZINC000092939690 640751540 /nfs/dbraw/zinc/75/15/40/640751540.db2.gz MLGCOSUVDWSZCO-YWPUVAFDSA-N 1 0 263.385 3.219 10 0 CGAERO CC[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1CCc1cccs1 ZINC000094433507 640795471 /nfs/dbraw/zinc/79/54/71/640795471.db2.gz PPRYPDHIUPIVCT-HUUCEWRRSA-N 1 0 278.465 3.239 10 0 CGAERO C/C(=C/c1cc(Cl)ccc1O)CN1CC[N@H+](C)[C@H](C)C1 ZINC000096822870 640839940 /nfs/dbraw/zinc/83/99/40/640839940.db2.gz DWNBSYAAFBWWTM-LLBKUYECSA-N 1 0 294.826 3.085 10 0 CGAERO CCOC(=O)[C@@]1(C/C=C\c2ccccc2)CCC[N@H+](C)C1 ZINC000096837236 640840091 /nfs/dbraw/zinc/84/00/91/640840091.db2.gz KRKADJQTSGWDFN-VTSXBNNFSA-N 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278.399 3.003 10 0 CGAERO Cc1nccc(C[NH2+][C@H]2CCc3cc(Cl)ccc32)n1 ZINC000133861890 282184802 /nfs/dbraw/zinc/18/48/02/282184802.db2.gz SROIXSOVZNMGCK-HNNXBMFYSA-N 1 0 273.767 3.216 10 0 CGAERO Cc1noc([C@H]2CC[C@@H](C[NH2+]CC(C(C)C)C(C)C)O2)n1 ZINC000623164311 349759601 /nfs/dbraw/zinc/75/96/01/349759601.db2.gz VAKWNDOOQZWWJF-DZGCQCFKSA-N 1 0 295.427 3.116 10 0 CGAERO C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)C(C)(C)C ZINC000112460857 299094790 /nfs/dbraw/zinc/09/47/90/299094790.db2.gz WMKBDCIWWJKBEO-LSDHHAIUSA-N 1 0 295.471 3.081 10 0 CGAERO CN(C)c1ccc2c(c1)[C@]13CCCC[C@H]1[C@H](C2)[N@@H+](C)CC3 ZINC000000017933 344854275 /nfs/dbraw/zinc/85/42/75/344854275.db2.gz YVDZNYZIFGWCEP-WDSOQIARSA-N 1 0 284.447 3.441 10 0 CGAERO Oc1ccc2c(c1)O[C@H](C[NH2+]Cc1ccc(F)cc1)CC2 ZINC000013775971 344881099 /nfs/dbraw/zinc/88/10/99/344881099.db2.gz AYQFVOWZPZLEGQ-INIZCTEOSA-N 1 0 287.334 3.015 10 0 CGAERO c1ccc(C(c2ccccc2)[C@H]2CC[C@@H]3CN2CC[NH2+]3)cc1 ZINC000038329017 344955652 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ZINC000127341864 346031037 /nfs/dbraw/zinc/03/10/37/346031037.db2.gz ALISARQEVMGWNI-HZGVNTEJSA-N 1 0 260.562 3.165 10 0 CGAERO CC[C@H]1C[C@@H]([NH3+])c2ccc(Br)cc2O1 ZINC000130823680 346060457 /nfs/dbraw/zinc/06/04/57/346060457.db2.gz ZCHUWOXFUQRPSC-WCBMZHEXSA-N 1 0 256.143 3.010 10 0 CGAERO C[NH2+][C@@H](C)c1cc(Br)ccc1SC ZINC000132093528 346070033 /nfs/dbraw/zinc/07/00/33/346070033.db2.gz FMMSLDSXHLTVMZ-ZETCQYMHSA-N 1 0 260.200 3.451 10 0 CGAERO c1ccc(C[NH+]2CCC3(CC2)OCc2ncccc23)cc1 ZINC000143639869 346114885 /nfs/dbraw/zinc/11/48/85/346114885.db2.gz DRWQMNAGVDRWMJ-UHFFFAOYSA-N 1 0 280.371 3.103 10 0 CGAERO CN(c1ccc(Cl)nn1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC000146786136 346124523 /nfs/dbraw/zinc/12/45/23/346124523.db2.gz QSUFUDPAVUONDM-UHFFFAOYSA-N 1 0 296.846 3.218 10 0 CGAERO CCOC(=O)c1ccc([C@H]([NH3+])C2CC(C)(C)C2)cc1 ZINC000148715797 346128670 /nfs/dbraw/zinc/12/86/70/346128670.db2.gz YMLXNTWMJDCDKI-AWEZNQCLSA-N 1 0 261.365 3.299 10 0 CGAERO [NH3+][C@H]1CC[C@](F)(Cc2ccc(Br)s2)C1 ZINC000158298807 346164535 /nfs/dbraw/zinc/16/45/35/346164535.db2.gz OPMRWPDAPYHQPK-OIBJUYFYSA-N 1 0 278.190 3.273 10 0 CGAERO C[C@@H]([C@@H]([NH3+])c1ccc(Br)cc1)C1CC1 ZINC000163412676 346181167 /nfs/dbraw/zinc/18/11/67/346181167.db2.gz NQIHGFRMVYXNON-PRHODGIISA-N 1 0 254.171 3.495 10 0 CGAERO CC[C@@H]1CC[C@H](CCc2ccccc2NC=O)[N@H+](C)C1 ZINC000165434552 346183771 /nfs/dbraw/zinc/18/37/71/346183771.db2.gz NZEAMXVHHJRCEN-GDBMZVCRSA-N 1 0 274.408 3.308 10 0 CGAERO Cc1cc2c(c(-c3ccccc3C)c1)O[C@H](C[NH3+])C2 ZINC000167800823 346188865 /nfs/dbraw/zinc/18/88/65/346188865.db2.gz SAAZNHPTROWQFT-AWEZNQCLSA-N 1 0 253.345 3.233 10 0 CGAERO C[N@@H+]1CCC[C@@H](c2ccc(C(F)(F)F)cc2N)C1 ZINC000201861991 346280790 /nfs/dbraw/zinc/28/07/90/346280790.db2.gz ZBQNULFHFMGZAU-SECBINFHSA-N 1 0 258.287 3.097 10 0 CGAERO C[C@@H]1CC[C@@H](C)[C@@]2(C[NH+]=C(N)N2Cc2ccccc2)C1 ZINC000223672643 346300767 /nfs/dbraw/zinc/30/07/67/346300767.db2.gz MMNXQBDYVIGXOY-CPUCHLNUSA-N 1 0 271.408 3.012 10 0 CGAERO CC[C@H]1C[C@]1([NH3+])c1cc(F)ccc1Br ZINC000234047498 346330449 /nfs/dbraw/zinc/33/04/49/346330449.db2.gz OZQMCYFFUITYIU-WRWORJQWSA-N 1 0 258.134 3.172 10 0 CGAERO CC(C)(C)OC(=O)Nc1cccc(N[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000227589812 346310134 /nfs/dbraw/zinc/31/01/34/346310134.db2.gz CQLIKOOPLBZXHJ-RISCZKNCSA-N 1 0 291.395 3.325 10 0 CGAERO Cc1cccc([C@H]2CCC[NH2+]2)c1I ZINC000229299886 346317076 /nfs/dbraw/zinc/31/70/76/346317076.db2.gz PRAKPCFESDOXTC-SNVBAGLBSA-N 1 0 287.144 3.024 10 0 CGAERO CCC[C@@H](C[NH2+][C@H](C)c1c(C)nn(CC)c1C)OCC ZINC000624050041 349956260 /nfs/dbraw/zinc/95/62/60/349956260.db2.gz WQIJSZFBTFXSBV-DOMZBBRYSA-N 1 0 281.444 3.376 10 0 CGAERO CCCc1ccc([C@@H](CCO)C2CC[NH2+]CC2)cc1 ZINC000098130676 185691742 /nfs/dbraw/zinc/69/17/42/185691742.db2.gz INNHBQTZOANKLA-QGZVFWFLSA-N 1 0 261.409 3.105 10 0 CGAERO C[NH2+]CCCCc1ccc2c(c1)nc(C)n2C1CC1 ZINC000098160017 185694393 /nfs/dbraw/zinc/69/43/93/185694393.db2.gz YJBUOHOSFNWSTR-UHFFFAOYSA-N 1 0 257.381 3.222 10 0 CGAERO 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298.995 3.482 10 0 CGAERO CCCC[NH+]1CCN(c2cccc3ccoc32)CC1 ZINC000013738323 368665211 /nfs/dbraw/zinc/66/52/11/368665211.db2.gz AZXGGXHLRUEFHH-UHFFFAOYSA-N 1 0 258.365 3.355 10 0 CGAERO Cc1nc(C)c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)s1 ZINC000337288141 376193212 /nfs/dbraw/zinc/19/32/12/376193212.db2.gz LLBBMKUXKXOBJH-RBSFLKMASA-N 1 0 294.464 3.275 10 0 CGAERO COc1ccc2c(c1)-c1[nH+]c3ccccc3c(N)c1C2 ZINC000013808519 368667834 /nfs/dbraw/zinc/66/78/34/368667834.db2.gz XCCWBTOIDNKQAT-UHFFFAOYSA-N 1 0 262.312 3.397 10 0 CGAERO C[NH+](C)Cc1ccccc1Sc1ccccc1N ZINC000013645999 368659748 /nfs/dbraw/zinc/65/97/48/368659748.db2.gz USOGSVQPPWDNQD-UHFFFAOYSA-N 1 0 258.390 3.482 10 0 CGAERO CCOc1ccc(C[NH2+]C[C@@H]2CCCN2CC)cc1Cl ZINC000022936914 368813767 /nfs/dbraw/zinc/81/37/67/368813767.db2.gz WAZYZSQFDPWQEF-AWEZNQCLSA-N 1 0 296.842 3.313 10 0 CGAERO C[C@H](O)C[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000035791533 369005883 /nfs/dbraw/zinc/00/58/83/369005883.db2.gz VOAFOZVOALKBOJ-BQBZGAKWSA-N 1 0 266.143 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CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCNC(=O)c1ccco1 ZINC000124505816 287234139 /nfs/dbraw/zinc/23/41/39/287234139.db2.gz ZZOZHPOGPFZBQF-UONOGXRCSA-N 1 0 292.423 3.204 10 0 CGAERO COc1ccc([C@H]([NH3+])[C@@H](C)Oc2cccc(F)c2)cc1 ZINC000019261926 170762808 /nfs/dbraw/zinc/76/28/08/170762808.db2.gz AFAIOFWHRXTPHC-BDJLRTHQSA-N 1 0 275.323 3.302 10 0 CGAERO [NH3+]C[C@H](Oc1ccc2c(c1)CCC2)c1ccc(F)cc1 ZINC000019671535 170836210 /nfs/dbraw/zinc/83/62/10/170836210.db2.gz FMEKPXRJEXYBRP-KRWDZBQOSA-N 1 0 271.335 3.393 10 0 CGAERO COc1ccc(SCc2ccc(C(N)=[NH2+])cc2F)cc1 ZINC000019863372 170898791 /nfs/dbraw/zinc/89/87/91/170898791.db2.gz AIZVBRSZZAWRMX-UHFFFAOYSA-N 1 0 290.363 3.411 10 0 CGAERO CCC[C@H](C)[NH2+]CC(=O)Nc1cccc(Cl)c1 ZINC000020040692 170975747 /nfs/dbraw/zinc/97/57/47/170975747.db2.gz KZXCYERDZXKHGO-JTQLQIEISA-N 1 0 254.761 3.057 10 0 CGAERO COc1cc([C@@H](C)[NH2+][C@H](C)c2cccnc2)ccc1O ZINC000020127739 171013587 /nfs/dbraw/zinc/01/35/87/171013587.db2.gz INTYCXYZBLRWBN-VXGBXAGGSA-N 1 0 272.348 3.208 10 0 CGAERO CC(C)[C@H](C[NH2+]Cc1cccc(Br)c1)N(C)C ZINC000020145422 171030446 /nfs/dbraw/zinc/03/04/46/171030446.db2.gz FFDKMKVPLHZUDF-AWEZNQCLSA-N 1 0 299.256 3.125 10 0 CGAERO C=COCCC[NH2+]Cc1ccccc1Br ZINC000020197632 171061648 /nfs/dbraw/zinc/06/16/48/171061648.db2.gz LGPZWUYCNJYHNO-UHFFFAOYSA-N 1 0 270.170 3.089 10 0 CGAERO CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000020207346 171071994 /nfs/dbraw/zinc/07/19/94/171071994.db2.gz OLXSSMDKIGFNSU-IPYPFGDCSA-N 1 0 263.381 3.303 10 0 CGAERO CN(CCc1ccccc1)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000020225687 171088052 /nfs/dbraw/zinc/08/80/52/171088052.db2.gz MFAUPPKEGWDOOS-QGZVFWFLSA-N 1 0 272.367 3.000 10 0 CGAERO COc1ccc(CN(C)[C@@H](C[NH3+])c2ccc(C)cc2)cc1 ZINC000020225562 171089060 /nfs/dbraw/zinc/08/90/60/171089060.db2.gz NZSYHPGUUCQJMK-SFHVURJKSA-N 1 0 284.403 3.135 10 0 CGAERO COc1cccc([C@@H](C[NH3+])N(C)Cc2ccccc2C)c1 ZINC000020225798 171089988 /nfs/dbraw/zinc/08/99/88/171089988.db2.gz AUNZXONIOWPLFF-GOSISDBHSA-N 1 0 284.403 3.135 10 0 CGAERO CC(C)C[N@H+](C)[C@H](CN)c1cccc(OC(C)C)c1 ZINC000020226649 171091104 /nfs/dbraw/zinc/09/11/04/171091104.db2.gz ATTDQMFZLZSYBA-MRXNPFEDSA-N 1 0 264.413 3.061 10 0 CGAERO COc1ccccc1CN(CCC[NH3+])c1cccc(C)c1 ZINC000020237028 171096208 /nfs/dbraw/zinc/09/62/08/171096208.db2.gz NUYIVKFZLIEZDW-UHFFFAOYSA-N 1 0 284.403 3.359 10 0 CGAERO Cc1cc(C)cc(N(CCC[NH3+])Cc2ccco2)c1 ZINC000020237761 171096374 /nfs/dbraw/zinc/09/63/74/171096374.db2.gz FOVVQHIPKRGYOA-UHFFFAOYSA-N 1 0 258.365 3.252 10 0 CGAERO [NH3+][C@H]1c2ccccc2CC[C@@H]1Oc1cccc(F)c1 ZINC000020262668 171120589 /nfs/dbraw/zinc/12/05/89/171120589.db2.gz VBBBNOXIYONXFM-HOTGVXAUSA-N 1 0 257.308 3.219 10 0 CGAERO Cc1cc(N2CCCC2=[NH2+])ccc1Br ZINC000020368464 171166532 /nfs/dbraw/zinc/16/65/32/171166532.db2.gz BJIOKXPEBWWGKP-UHFFFAOYSA-N 1 0 253.143 3.335 10 0 CGAERO COc1cc(OC)cc([C@H]([NH3+])c2ccc(Cl)s2)c1 ZINC000020375086 171170228 /nfs/dbraw/zinc/17/02/28/171170228.db2.gz PCOSIFYACAKHJQ-ZDUSSCGKSA-N 1 0 283.780 3.467 10 0 CGAERO [NH3+][C@@H](Cc1ccccn1)c1cc(Br)ccc1F ZINC000020428971 171194045 /nfs/dbraw/zinc/19/40/45/171194045.db2.gz MGEALUOFKQQERL-ZDUSSCGKSA-N 1 0 295.155 3.226 10 0 CGAERO CC[C@H](C)[C@@H](c1ccccc1)[C@@H]([NH3+])c1cnn(C)c1 ZINC000020476788 171220750 /nfs/dbraw/zinc/22/07/50/171220750.db2.gz QOLFGHZJIFYOMG-RCBQFDQVSA-N 1 0 257.381 3.250 10 0 CGAERO Cc1ccc([C@H]([NH3+])c2cncc(Br)c2)cc1 ZINC000020480887 171221548 /nfs/dbraw/zinc/22/15/48/171221548.db2.gz JYEKDQHIWSUHMZ-ZDUSSCGKSA-N 1 0 277.165 3.201 10 0 CGAERO CCCCC[C@H](C[NH3+])N1CCc2sccc2C1 ZINC000020520568 171234050 /nfs/dbraw/zinc/23/40/50/171234050.db2.gz JMLSUBSJFZXXGZ-CYBMUJFWSA-N 1 0 252.427 3.014 10 0 CGAERO C[N@H+]1[C@@H]2CC[C@H]1CC(Nc1ccc(F)cc1F)C2 ZINC000020523915 171236451 /nfs/dbraw/zinc/23/64/51/171236451.db2.gz APASACFYKTXSSS-YOGCLGLASA-N 1 0 252.308 3.002 10 0 CGAERO C[NH2+]CCCNCc1ccc(-c2ccccc2Cl)o1 ZINC000020876082 171277201 /nfs/dbraw/zinc/27/72/01/171277201.db2.gz STKXMTMDGTXVMN-UHFFFAOYSA-N 1 0 278.783 3.299 10 0 CGAERO CCCOc1ccc(C[NH2+]C[C@H]2CCCO2)cc1Cl ZINC000020925487 171280248 /nfs/dbraw/zinc/28/02/48/171280248.db2.gz MZYGAAKKRHIHET-CYBMUJFWSA-N 1 0 283.799 3.397 10 0 CGAERO CCn1cc(C[NH2+]C[C@H](O)c2ccccc2)c2ccccc21 ZINC000020935178 171281856 /nfs/dbraw/zinc/28/18/56/171281856.db2.gz FMBAITPJJZSQRV-IBGZPJMESA-N 1 0 294.398 3.484 10 0 CGAERO C[C@@H]1CCC[N@@H+]([C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2N)C1 ZINC000021504041 171307077 /nfs/dbraw/zinc/30/70/77/171307077.db2.gz NPJNXWMMKAPHLN-CBBWQLFWSA-N 1 0 252.446 3.260 10 0 CGAERO CC(C)[C@H]([C@@H](N)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000021808009 171328264 /nfs/dbraw/zinc/32/82/64/171328264.db2.gz OHQXKGZSAWRRHV-DLBZAZTESA-N 1 0 260.425 3.443 10 0 CGAERO Cc1ccc(C(=O)Nc2ccccc2[C@H](C)[NH3+])cc1 ZINC000022162593 171364567 /nfs/dbraw/zinc/36/45/67/171364567.db2.gz NXTNWNVGVGQJNF-LBPRGKRZSA-N 1 0 254.333 3.267 10 0 CGAERO CCOc1ccc([C@@H](C[NH3+])N(C)c2ccccc2)cc1 ZINC000022212591 171373945 /nfs/dbraw/zinc/37/39/45/171373945.db2.gz CTTGRIFZBGAVER-QGZVFWFLSA-N 1 0 270.376 3.222 10 0 CGAERO Cc1cccc([C@@H](C[NH3+])N2CCc3ccccc32)c1 ZINC000022223135 171379351 /nfs/dbraw/zinc/37/93/51/171379351.db2.gz AVPNDRAMQOLAFJ-QGZVFWFLSA-N 1 0 252.361 3.058 10 0 CGAERO COc1ccc([C@@H]([NH3+])COc2ccc(F)cc2F)cc1 ZINC000022563177 171391059 /nfs/dbraw/zinc/39/10/59/171391059.db2.gz AMKXFFMMYWMXHV-AWEZNQCLSA-N 1 0 279.286 3.052 10 0 CGAERO Cc1ccc(C)c([C@@H]([NH3+])CN2CCc3ccccc3C2)c1 ZINC000022562796 171391379 /nfs/dbraw/zinc/39/13/79/171391379.db2.gz BOZAOHZZTKRWBF-IBGZPJMESA-N 1 0 280.415 3.362 10 0 CGAERO Cc1cccc(O[C@@H]2Cc3ccccc3[C@H]2[NH3+])c1C ZINC000023068588 171409607 /nfs/dbraw/zinc/40/96/07/171409607.db2.gz BYIVUIIHKJMOJN-IAGOWNOFSA-N 1 0 253.345 3.307 10 0 CGAERO O[C@H]1CCCC[C@@H]1[NH+]1CCC(Cc2ccccc2)CC1 ZINC000028236639 171552977 /nfs/dbraw/zinc/55/29/77/171552977.db2.gz ZENDJZOIUGRXAX-ROUUACIJSA-N 1 0 273.420 3.245 10 0 CGAERO CCOc1ccccc1O[C@H](C[NH3+])c1cccs1 ZINC000032113066 171706652 /nfs/dbraw/zinc/70/66/52/171706652.db2.gz FAECQMSXGJBKQQ-CYBMUJFWSA-N 1 0 263.362 3.226 10 0 CGAERO CCOc1cccc(C[NH2+]CC2CCCC2)c1OC ZINC000035253155 172082755 /nfs/dbraw/zinc/08/27/55/172082755.db2.gz FFTOLCRYKDHYSY-UHFFFAOYSA-N 1 0 263.381 3.374 10 0 CGAERO CCCc1ccccc1NC(=O)NC[C@H](C)[NH+](CC)CC ZINC000126423391 287264383 /nfs/dbraw/zinc/26/43/83/287264383.db2.gz IHKXYIDZQGRYJZ-AWEZNQCLSA-N 1 0 291.439 3.491 10 0 CGAERO CCCC[C@@H]([NH3+])c1cc2c(cc1Cl)NC(=O)C2 ZINC000035359513 172150027 /nfs/dbraw/zinc/15/00/27/172150027.db2.gz JMLKUZRONVCCRA-LLVKDONJSA-N 1 0 252.745 3.025 10 0 CGAERO CC(C)(C)C[C@H]([NH3+])c1cc2c(cc1F)NC(=O)CC2 ZINC000035359654 172150303 /nfs/dbraw/zinc/15/03/03/172150303.db2.gz NYWXZQTWGHVJCL-LBPRGKRZSA-N 1 0 264.344 3.146 10 0 CGAERO [NH3+][C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000035379573 172162130 /nfs/dbraw/zinc/16/21/30/172162130.db2.gz NLPZZSIEHBKNIM-LLVKDONJSA-N 1 0 252.111 3.090 10 0 CGAERO CCOc1ccc(Br)cc1[C@H]([NH3+])c1ccoc1 ZINC000035382609 172165557 /nfs/dbraw/zinc/16/55/57/172165557.db2.gz KKMRQAPVBKOADW-CYBMUJFWSA-N 1 0 296.164 3.489 10 0 CGAERO CCC[C@@H](C)[C@H]([NH2+]C)c1ccc(OC)c(OC)c1 ZINC000035463263 172210689 /nfs/dbraw/zinc/21/06/89/172210689.db2.gz XNVVWTVEPCACCA-ABAIWWIYSA-N 1 0 251.370 3.401 10 0 CGAERO C[NH2+][C@@H](c1ccc(F)cc1)[C@H]1Cc2ccccc2O1 ZINC000035463711 172211346 /nfs/dbraw/zinc/21/13/46/172211346.db2.gz JNAUIBPCZCYLFX-CVEARBPZSA-N 1 0 257.308 3.090 10 0 CGAERO C[NH2+][C@@H](CC(F)(F)F)c1cnn(-c2ccccc2)c1 ZINC000035500562 172234711 /nfs/dbraw/zinc/23/47/11/172234711.db2.gz FJVUEZMMVVARHP-LBPRGKRZSA-N 1 0 269.270 3.085 10 0 CGAERO C[NH2+][C@@H](c1cc(OC)c(OC)cc1Cl)C1CC1 ZINC000035501262 172235667 /nfs/dbraw/zinc/23/56/67/172235667.db2.gz ZMXVKSGMPRNHEV-CYBMUJFWSA-N 1 0 255.745 3.028 10 0 CGAERO C[NH2+][C@@H](c1occc1C)c1ccc2c(c1)C[C@@H](C)O2 ZINC000035504415 172238119 /nfs/dbraw/zinc/23/81/19/172238119.db2.gz MYXCAPRCJNQVNE-IAQYHMDHSA-N 1 0 257.333 3.220 10 0 CGAERO CC[NH2+][C@H](c1cnn(C)c1)c1cccc(Cl)c1Cl ZINC000035556171 172261458 /nfs/dbraw/zinc/26/14/58/172261458.db2.gz IRZUWBIJBUPRJU-CYBMUJFWSA-N 1 0 284.190 3.426 10 0 CGAERO CCC[NH2+][C@H](c1ccc2c(c1)OCCCO2)C1CC1 ZINC000035578049 172274449 /nfs/dbraw/zinc/27/44/49/172274449.db2.gz KTRWMRJGTDIGDQ-INIZCTEOSA-N 1 0 261.365 3.299 10 0 CGAERO CCC[NH2+][C@H](Cc1ncc[nH]1)c1cc2c(s1)CCC2 ZINC000035586287 172285588 /nfs/dbraw/zinc/28/55/88/172285588.db2.gz HZTHWBOUNVTEEO-GFCCVEGCSA-N 1 0 275.421 3.243 10 0 CGAERO CC(=O)c1cc(C)ccc1OCC[NH+]1CCCCC1 ZINC000035629101 172309101 /nfs/dbraw/zinc/30/91/01/172309101.db2.gz JHOQVSSNBCTZBV-UHFFFAOYSA-N 1 0 261.365 3.062 10 0 CGAERO CC[NH2+][C@@H](C)c1ccccc1NC(=O)c1ccco1 ZINC000035643726 172321232 /nfs/dbraw/zinc/32/12/32/172321232.db2.gz XOOGSXPAXKLXGL-NSHDSACASA-N 1 0 258.321 3.202 10 0 CGAERO Cc1cc(Br)c2c(c1)[C@@H]([NH2+]C1CC1)CCO2 ZINC000035653800 172330971 /nfs/dbraw/zinc/33/09/71/172330971.db2.gz SOPTWDWWRGTIGW-LBPRGKRZSA-N 1 0 282.181 3.333 10 0 CGAERO CC[NH2+][C@@H]1CCCOc2c(Br)cc(F)cc21 ZINC000035655152 172331425 /nfs/dbraw/zinc/33/14/25/172331425.db2.gz FUIMJJVOORMLLJ-LLVKDONJSA-N 1 0 288.160 3.411 10 0 CGAERO [NH3+]Cc1cc(Cl)cc(Cl)c1OCc1ccccn1 ZINC000035661843 172339606 /nfs/dbraw/zinc/33/96/06/172339606.db2.gz JUXVSYQHLSDNTA-UHFFFAOYSA-N 1 0 283.158 3.426 10 0 CGAERO CCCCCCOc1c(OC)cc(C[NH3+])cc1OC ZINC000035662973 172340981 /nfs/dbraw/zinc/34/09/81/172340981.db2.gz XQYRTNGODFWJKY-UHFFFAOYSA-N 1 0 267.369 3.122 10 0 CGAERO Cc1ccc([C@@H](C[NH3+])N(C)Cc2cccs2)s1 ZINC000035717104 172370820 /nfs/dbraw/zinc/37/08/20/172370820.db2.gz JUYGKBLEAWLLIS-GFCCVEGCSA-N 1 0 266.435 3.250 10 0 CGAERO Cc1ccsc1[C@@H](C[NH3+])N(C)Cc1cccs1 ZINC000035716999 172371059 /nfs/dbraw/zinc/37/10/59/172371059.db2.gz RWUMVLVXNMUQQH-GFCCVEGCSA-N 1 0 266.435 3.250 10 0 CGAERO [NH3+]Cc1ccc(Oc2ccc(Br)cc2)nc1 ZINC000035719803 172374396 /nfs/dbraw/zinc/37/43/96/172374396.db2.gz WALKBEVPFLFCQC-UHFFFAOYSA-N 1 0 279.137 3.095 10 0 CGAERO C[C@@H]([NH2+][C@@H](C)CO)c1c(Cl)ccc(F)c1Cl ZINC000035791556 172418283 /nfs/dbraw/zinc/41/82/83/172418283.db2.gz VQESERMQPABVPX-NKWVEPMBSA-N 1 0 266.143 3.164 10 0 CGAERO CC[NH2+][C@H]1c2ccc(S[C@H](C)CC)cc2NC1=O ZINC000036194995 172506295 /nfs/dbraw/zinc/50/62/95/172506295.db2.gz GDCXZKXNUZJVNP-RNCFNFMXSA-N 1 0 264.394 3.180 10 0 CGAERO CC[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCc2c1cnn2C ZINC000037032515 172900038 /nfs/dbraw/zinc/90/00/38/172900038.db2.gz BPZVRHKISFNGPI-AEGPPILISA-N 1 0 261.413 3.356 10 0 CGAERO CC(C)c1ccc([C@@H](C[NH3+])N(C)[C@@H]2CCSC2)cc1 ZINC000037174500 173008928 /nfs/dbraw/zinc/00/89/28/173008928.db2.gz OPVZWLCVAKOQCC-HZPDHXFCSA-N 1 0 278.465 3.247 10 0 CGAERO Cc1csc2nc(C)c(C[NH2+]Cc3ccccc3)n12 ZINC000037187679 173018477 /nfs/dbraw/zinc/01/84/77/173018477.db2.gz ULQGMSLYNQFMJR-UHFFFAOYSA-N 1 0 271.389 3.302 10 0 CGAERO CCCCC[NH2+]Cc1c(C)nc2scc(C)n12 ZINC000037188799 173019253 /nfs/dbraw/zinc/01/92/53/173019253.db2.gz XWDZSXHPGOEYKJ-UHFFFAOYSA-N 1 0 251.399 3.292 10 0 CGAERO COc1ccc([C@@H]([NH2+]CC(C)(C)N(C)C)C2CC2)cc1 ZINC000037220411 173038817 /nfs/dbraw/zinc/03/88/17/173038817.db2.gz KFHMCIQQGCORLB-INIZCTEOSA-N 1 0 276.424 3.076 10 0 CGAERO Fc1ccc(Oc2cccnc2)c(C[NH2+]C2CC2)c1 ZINC000037238347 173055380 /nfs/dbraw/zinc/05/53/80/173055380.db2.gz XAYMOAKONXWZHR-UHFFFAOYSA-N 1 0 258.296 3.265 10 0 CGAERO C=COCCC[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000037239117 173055965 /nfs/dbraw/zinc/05/59/65/173055965.db2.gz WFTCMSZBAJTEFA-AWEZNQCLSA-N 1 0 263.381 3.156 10 0 CGAERO CC(C)c1ccc([C@@H](C)[NH2+]C2CCN(C(N)=O)CC2)cc1 ZINC000037295370 173099468 /nfs/dbraw/zinc/09/94/68/173099468.db2.gz HHXGCQLNITVHEO-CYBMUJFWSA-N 1 0 289.423 3.004 10 0 CGAERO Cc1ccc([C@@H]([NH3+])c2cnn(-c3ccccc3)c2)cc1 ZINC000037308983 173111894 /nfs/dbraw/zinc/11/18/94/173111894.db2.gz YDIIJRHVKNIULP-QGZVFWFLSA-N 1 0 263.344 3.229 10 0 CGAERO Cc1ccc2c(c1)nc([C@@H]1CCCC[NH2+]1)n2C1CC1 ZINC000037438737 173209875 /nfs/dbraw/zinc/20/98/75/173209875.db2.gz KSDXOWCWHQYUIM-ZDUSSCGKSA-N 1 0 255.365 3.494 10 0 CGAERO [NH3+]C1(Cc2cccc(Br)c2)CCCC1 ZINC000037463446 173225583 /nfs/dbraw/zinc/22/55/83/173225583.db2.gz JMIYFAADUVNFPR-UHFFFAOYSA-N 1 0 254.171 3.263 10 0 CGAERO CCOc1cc(C[C@H]([NH3+])CC)ccc1OC(C)C ZINC000037726309 173645197 /nfs/dbraw/zinc/64/51/97/173645197.db2.gz KVSFHEILCRWWJB-CYBMUJFWSA-N 1 0 251.370 3.152 10 0 CGAERO CC[NH2+]Cc1ccc(Br)cc1N(C)CC1CC1 ZINC000037926007 173864752 /nfs/dbraw/zinc/86/47/52/173864752.db2.gz DEIHKFBJHFSNBR-UHFFFAOYSA-N 1 0 297.240 3.405 10 0 CGAERO C[C@@H](NC(=O)C[NH2+]C1CCCC1)c1cccc(Cl)c1 ZINC000037976053 173931217 /nfs/dbraw/zinc/93/12/17/173931217.db2.gz ALNYZFMLLJGLBQ-LLVKDONJSA-N 1 0 280.799 3.049 10 0 CGAERO CC[C@@H](C)NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000038013527 173983554 /nfs/dbraw/zinc/98/35/54/173983554.db2.gz PSDLDQFSWCMBIF-QLFBSQMISA-N 1 0 282.472 3.486 10 0 CGAERO Cc1cc(NC[C@H](C)[NH+]2CCCCC2)nc(C(C)C)n1 ZINC000038029281 174019690 /nfs/dbraw/zinc/01/96/90/174019690.db2.gz JGTXMPULHDPENH-AWEZNQCLSA-N 1 0 276.428 3.195 10 0 CGAERO Cc1cc(C[N@@H+]2CCc3c(N)cccc3C2)cc(C)c1O ZINC000038032536 174028217 /nfs/dbraw/zinc/02/82/17/174028217.db2.gz HXBVSTLSFWXKJQ-UHFFFAOYSA-N 1 0 282.387 3.150 10 0 CGAERO CC[C@@H](C)[NH2+]C1(C(N)=O)CCC(C(C)(C)CC)CC1 ZINC000038065294 174075759 /nfs/dbraw/zinc/07/57/59/174075759.db2.gz JQXRIFTUEAPMEI-VEAWUBTESA-N 1 0 268.445 3.225 10 0 CGAERO C[NH2+]Cc1cc(-c2ccc(F)cc2F)ccc1F ZINC000038072370 174082988 /nfs/dbraw/zinc/08/29/88/174082988.db2.gz UFORNYNBACGAKC-UHFFFAOYSA-N 1 0 251.251 3.490 10 0 CGAERO C[C@@H](C[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2)N(C)C ZINC000038088579 174101407 /nfs/dbraw/zinc/10/14/07/174101407.db2.gz PUYJKZTYABVMQZ-UYYLIRDPSA-N 1 0 264.457 3.131 10 0 CGAERO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000127420735 287287596 /nfs/dbraw/zinc/28/75/96/287287596.db2.gz FQCULZPRJFTCPQ-SFHVURJKSA-N 1 0 290.451 3.477 10 0 CGAERO [NH3+][C@H](Cc1ccc(F)cc1)c1cc(F)cc(F)c1 ZINC000038129126 174131927 /nfs/dbraw/zinc/13/19/27/174131927.db2.gz HGNGUTNTRBTLKX-CQSZACIVSA-N 1 0 251.251 3.346 10 0 CGAERO C[C@@H]1C[C@H](C)CN([C@H](C[NH3+])c2c(F)cccc2Cl)C1 ZINC000039789099 174173775 /nfs/dbraw/zinc/17/37/75/174173775.db2.gz NAUFHXXDVZEKFA-UHIISALHSA-N 1 0 284.806 3.457 10 0 CGAERO Cn1c2ccc(C(F)(F)F)cc2nc1[C@H]1CCC[NH2+]1 ZINC000040417103 174255863 /nfs/dbraw/zinc/25/58/63/174255863.db2.gz VTYSVUVWXHYOGG-SECBINFHSA-N 1 0 269.270 3.017 10 0 CGAERO CCc1c(C)nn(-c2ccc([C@H](C)[NH3+])cc2F)c1C ZINC000040732837 174388754 /nfs/dbraw/zinc/38/87/54/174388754.db2.gz FJCAMKZZKWGEJD-VIFPVBQESA-N 1 0 261.344 3.210 10 0 CGAERO [NH3+]C[C@H](Cc1ccco1)c1cccc(Br)c1 ZINC000041435347 174552318 /nfs/dbraw/zinc/55/23/18/174552318.db2.gz JBXQBIYXOVEFNH-NSHDSACASA-N 1 0 280.165 3.327 10 0 CGAERO CC(C)C[C@@H](CO)[NH2+][C@H](c1cccs1)C1CC1 ZINC000042331669 174687494 /nfs/dbraw/zinc/68/74/94/174687494.db2.gz MOTNIHMWIHPOSR-JSGCOSHPSA-N 1 0 253.411 3.196 10 0 CGAERO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1Cl)C(C)C ZINC000042589264 174810659 /nfs/dbraw/zinc/81/06/59/174810659.db2.gz PAKFTFJVMVJSQW-GFCCVEGCSA-N 1 0 268.788 3.303 10 0 CGAERO C[C@@H]([NH3+])c1ccccc1N(Cc1ccco1)C1CC1 ZINC000042693044 174841435 /nfs/dbraw/zinc/84/14/35/174841435.db2.gz FSLFOMUYAJAXIY-GFCCVEGCSA-N 1 0 256.349 3.468 10 0 CGAERO COc1cc(C[NH2+]C[C@H]2CCCC[C@H]2C)ccc1O ZINC000042829226 174890071 /nfs/dbraw/zinc/89/00/71/174890071.db2.gz XPTIENQETXLSQZ-TZMCWYRMSA-N 1 0 263.381 3.317 10 0 CGAERO CC[NH2+][C@H](C)c1ccccc1N(C)Cc1cscn1 ZINC000042866422 174895149 /nfs/dbraw/zinc/89/51/49/174895149.db2.gz SKIFCTROOROBGO-GFCCVEGCSA-N 1 0 275.421 3.450 10 0 CGAERO COc1ccccc1S[C@H](C[NH3+])c1ccccc1 ZINC000042900581 174905283 /nfs/dbraw/zinc/90/52/83/174905283.db2.gz QWKUSJLDHBAQEK-OAHLLOKOSA-N 1 0 259.374 3.487 10 0 CGAERO Cc1cnc(S[C@@H](c2cccc(F)c2)[C@H](C)[NH3+])nc1 ZINC000042974861 174937849 /nfs/dbraw/zinc/93/78/49/174937849.db2.gz YDIFNBNDZVFGLT-GXFFZTMASA-N 1 0 277.368 3.105 10 0 CGAERO Cc1ccccc1[C@@H]([C@H](C)[NH3+])N(C)Cc1ccco1 ZINC000043034784 174950371 /nfs/dbraw/zinc/95/03/71/174950371.db2.gz PHMCKDVZEOZKQU-XJKSGUPXSA-N 1 0 258.365 3.108 10 0 CGAERO Cc1ncsc1CCO[C@@H](C[NH3+])c1ccccc1C ZINC000043039438 174952785 /nfs/dbraw/zinc/95/27/85/174952785.db2.gz YDSFACOPSLKLFZ-AWEZNQCLSA-N 1 0 276.405 3.019 10 0 CGAERO Cc1nn([C@H](c2ccccc2Cl)[C@H](C)[NH3+])c(C)c1C ZINC000043053318 174960852 /nfs/dbraw/zinc/96/08/52/174960852.db2.gz CUHNJDSPTRYVIA-BONVTDFDSA-N 1 0 277.799 3.398 10 0 CGAERO [NH3+]CCc1ccc(OCC2CCCC2)c(Cl)c1 ZINC000043490900 175057129 /nfs/dbraw/zinc/05/71/29/175057129.db2.gz YQOFYTOGWRFNIG-UHFFFAOYSA-N 1 0 253.773 3.410 10 0 CGAERO Cc1ccc([C@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000043501840 175058705 /nfs/dbraw/zinc/05/87/05/175058705.db2.gz PPGMHDZURYWQNL-IIYDPXPESA-N 1 0 261.409 3.315 10 0 CGAERO COc1cc(Cl)c(C)cc1Nc1cc(N)cc[nH+]1 ZINC000043568551 175067313 /nfs/dbraw/zinc/06/73/13/175067313.db2.gz XTCZPZGPQDQIPZ-UHFFFAOYSA-N 1 0 263.728 3.378 10 0 CGAERO [NH3+][C@@H]1CCC[C@@H]1Cc1sccc1Br ZINC000043676293 175088195 /nfs/dbraw/zinc/08/81/95/175088195.db2.gz KBYLGARPXDYSDM-VXNVDRBHSA-N 1 0 260.200 3.181 10 0 CGAERO C[NH2+][C@@H]1CCC[C@H]1Cc1cc(Br)cs1 ZINC000043688103 175095994 /nfs/dbraw/zinc/09/59/94/175095994.db2.gz YXLFOPADWMJHOT-GZMMTYOYSA-N 1 0 274.227 3.441 10 0 CGAERO CCOc1ccccc1[C@@H](O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000044113969 175141046 /nfs/dbraw/zinc/14/10/46/175141046.db2.gz GRZUKJWDDHVNQL-LZWOXQAQSA-N 1 0 277.408 3.097 10 0 CGAERO O[C@@H](C[NH+]1CCCC1)c1ccc(-c2ccccc2)cc1 ZINC000044115149 175141737 /nfs/dbraw/zinc/14/17/37/175141737.db2.gz FSSZVFOKSTVNFW-SFHVURJKSA-N 1 0 267.372 3.483 10 0 CGAERO CCC(C)(C)[C@@H]1CC[C@H](O)[C@H]([NH+]2CCCCC2)C1 ZINC000044119493 175142154 /nfs/dbraw/zinc/14/21/54/175142154.db2.gz VELLPWVRWXLXCR-KFWWJZLASA-N 1 0 253.430 3.438 10 0 CGAERO Cc1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000128488047 287312267 /nfs/dbraw/zinc/31/22/67/287312267.db2.gz MJUIVRLCAMFLIW-SJORKVTESA-N 1 0 259.393 3.122 10 0 CGAERO C[C@H](CC(=O)N(CC[NH3+])C1CCCC1)CC(C)(C)C ZINC000070943712 176016534 /nfs/dbraw/zinc/01/65/34/176016534.db2.gz HQEPGMKYULINNG-CYBMUJFWSA-N 1 0 268.445 3.179 10 0 CGAERO COC(=O)[C@@](C)([NH2+]C1CCCCC1)C1CCCCC1 ZINC000071399889 176152320 /nfs/dbraw/zinc/15/23/20/176152320.db2.gz QCPGBIGFNCTKIZ-INIZCTEOSA-N 1 0 267.413 3.421 10 0 CGAERO [NH3+]C1CCC(c2ccccc2Br)CC1 ZINC000071575393 176202825 /nfs/dbraw/zinc/20/28/25/176202825.db2.gz JWZNFPJNIOQZDH-UHFFFAOYSA-N 1 0 254.171 3.434 10 0 CGAERO C[C@@H]([NH3+])C1(Cc2ccc(Br)cc2)CC1 ZINC000071575421 176202833 /nfs/dbraw/zinc/20/28/33/176202833.db2.gz SJHCBJBPSKBREX-SECBINFHSA-N 1 0 254.171 3.119 10 0 CGAERO CCCCc1ccc(-c2nc(CC[NH3+])oc2C)cc1 ZINC000071584574 176209373 /nfs/dbraw/zinc/20/93/73/176209373.db2.gz FUQPQDPMBWGYJD-UHFFFAOYSA-N 1 0 258.365 3.494 10 0 CGAERO C[NH2+][C@H](C(C)C)[C@H](O)c1cc(C(C)C)ccc1OC ZINC000071597982 176221742 /nfs/dbraw/zinc/22/17/42/176221742.db2.gz AUBUHJLEMBYMEB-HZPDHXFCSA-N 1 0 265.397 3.096 10 0 CGAERO C[NH2+]Cc1nc(-c2cc(Br)cs2)cs1 ZINC000071645530 176239962 /nfs/dbraw/zinc/23/99/62/176239962.db2.gz LMOKFMFWMBCCCA-UHFFFAOYSA-N 1 0 289.223 3.354 10 0 CGAERO CC(C)c1c(C[NH3+])cnn1-c1ccccc1Br ZINC000071649862 176240629 /nfs/dbraw/zinc/24/06/29/176240629.db2.gz FKKBVJJOQIQUNO-UHFFFAOYSA-N 1 0 294.196 3.217 10 0 CGAERO COc1cc2c(cc1OC)C(C)(C)C[NH2+][C@H]2c1cccnc1 ZINC000071652627 176241614 /nfs/dbraw/zinc/24/16/14/176241614.db2.gz ZHHBPTPOIXTSGK-KRWDZBQOSA-N 1 0 298.386 3.069 10 0 CGAERO [NH3+][C@H]1C[C@H]1c1ccc(NC(=O)OCc2ccccc2)cc1 ZINC000072170997 176332933 /nfs/dbraw/zinc/33/29/33/176332933.db2.gz INASJSARAJHICW-HOTGVXAUSA-N 1 0 282.343 3.250 10 0 CGAERO COc1ccc([C@H](C[NH3+])N(C)C(C)C)cc1C(C)C ZINC000076369745 177006173 /nfs/dbraw/zinc/00/61/73/177006173.db2.gz OXLUERZKYYWTOE-HNNXBMFYSA-N 1 0 264.413 3.159 10 0 CGAERO [NH3+]C[C@@H](CCOc1ccccc1)c1ccc(F)cc1 ZINC000076668388 177052014 /nfs/dbraw/zinc/05/20/14/177052014.db2.gz PPQDSIDBBHABLX-CQSZACIVSA-N 1 0 259.324 3.337 10 0 CGAERO CC(C)CCN(CC[NH3+])c1ccc(F)c(Cl)c1 ZINC000076667918 177052111 /nfs/dbraw/zinc/05/21/11/177052111.db2.gz ZRKRWIWKMAOFBE-UHFFFAOYSA-N 1 0 258.768 3.290 10 0 CGAERO [NH3+]CC[C@H](COc1ccccc1F)c1ccccc1 ZINC000076668591 177052413 /nfs/dbraw/zinc/05/24/13/177052413.db2.gz VHKUNVUMMNGXIS-CQSZACIVSA-N 1 0 259.324 3.337 10 0 CGAERO CCc1cccc(OC[C@@H](C[NH3+])c2cccs2)c1 ZINC000076673115 177054781 /nfs/dbraw/zinc/05/47/81/177054781.db2.gz FJRAYRICXZDWCY-CYBMUJFWSA-N 1 0 261.390 3.432 10 0 CGAERO Cc1cccc(NC(=O)C[C@H](C[NH3+])CC(C)C)c1C ZINC000076675722 177055954 /nfs/dbraw/zinc/05/59/54/177055954.db2.gz QSMJWJGRYITREK-CQSZACIVSA-N 1 0 262.397 3.253 10 0 CGAERO CC[C@@H](C[NH3+])CCC(=O)Nc1c(C)cc(C)cc1C ZINC000076676081 177056064 /nfs/dbraw/zinc/05/60/64/177056064.db2.gz BTBUIRQJAOCKRE-CQSZACIVSA-N 1 0 262.397 3.315 10 0 CGAERO CC[C@@H](C[NH3+])CCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000076715620 177068948 /nfs/dbraw/zinc/06/89/48/177068948.db2.gz CULVKAZJCPSGFT-SECBINFHSA-N 1 0 272.751 3.183 10 0 CGAERO CC[C@H](C[NH3+])CC(=O)Nc1ccccc1C(F)(F)F ZINC000076719109 177069487 /nfs/dbraw/zinc/06/94/87/177069487.db2.gz IEUKGHGNYQQODQ-VIFPVBQESA-N 1 0 274.286 3.019 10 0 CGAERO C[NH2+][C@H](C)c1csc(-c2cc(OC)cc(OC)c2)n1 ZINC000076784883 177092132 /nfs/dbraw/zinc/09/21/32/177092132.db2.gz TUKWWSQDEJPKCJ-SECBINFHSA-N 1 0 278.377 3.108 10 0 CGAERO CCOc1ccc(-c2nc([C@@H](C)[NH2+]C)cs2)cc1 ZINC000076784793 177092394 /nfs/dbraw/zinc/09/23/94/177092394.db2.gz XJEDFFJZWULUBJ-SNVBAGLBSA-N 1 0 262.378 3.489 10 0 CGAERO C[NH2+][C@@H](C)c1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000076784726 177092443 /nfs/dbraw/zinc/09/24/43/177092443.db2.gz WHZVRRNCQJZEGP-VIFPVBQESA-N 1 0 278.377 3.108 10 0 CGAERO O[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@@H]2C2CCCC2)C1 ZINC000310757429 416531568 /nfs/dbraw/zinc/53/15/68/416531568.db2.gz AEWSAODLHAOCKR-FVQBIDKESA-N 1 0 251.414 3.192 10 0 CGAERO CC[C@@H]1CN(c2nc3ccccc3cc2C)CC[C@@H]1[NH3+] ZINC000123032478 416506318 /nfs/dbraw/zinc/50/63/18/416506318.db2.gz ZFWMTFORJPGHLN-HIFRSBDPSA-N 1 0 269.392 3.107 10 0 CGAERO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ncc(Cl)s1 ZINC000681165464 543771819 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CCc1nc2ccccc2n1CCC[NH2+]CC(C)C ZINC000062807512 522501164 /nfs/dbraw/zinc/50/11/64/522501164.db2.gz VSDQHAOFRONHQY-UHFFFAOYSA-N 1 0 259.397 3.234 10 0 CGAERO C[NH2+][C@H]1CCN(c2cc(Cl)ccc2F)[C@H](C)C1 ZINC000049712717 522503444 /nfs/dbraw/zinc/50/34/44/522503444.db2.gz CHPNQWALZBCPDT-KOLCDFICSA-N 1 0 256.752 3.056 10 0 CGAERO C[NH2+][C@H]1CCN(c2ccc(C)cc2Br)C[C@H]1C ZINC000049712084 522504276 /nfs/dbraw/zinc/50/42/76/522504276.db2.gz LXIKUUQXTWHLIW-YPMHNXCESA-N 1 0 297.240 3.192 10 0 CGAERO COc1cc(Cl)c(C)cc1N1CC[C@H](C[NH2+]C(C)C)C1 ZINC000053011897 522507706 /nfs/dbraw/zinc/50/77/06/522507706.db2.gz AULUBJJGDLVVTA-CYBMUJFWSA-N 1 0 296.842 3.481 10 0 CGAERO CNc1ccc(Cl)c(C[N@H+](CC(C)C)C2CC2)n1 ZINC000061638383 522621699 /nfs/dbraw/zinc/62/16/99/522621699.db2.gz FOYKNZVDTQOSDM-UHFFFAOYSA-N 1 0 267.804 3.397 10 0 CGAERO CC[C@@H]([NH3+])Cc1noc(-c2cc(Cl)ccc2Cl)n1 ZINC000054184646 522646163 /nfs/dbraw/zinc/64/61/63/522646163.db2.gz RKVGSCPSJXSMBR-MRVPVSSYSA-N 1 0 286.162 3.323 10 0 CGAERO 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CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]CC2CCC2)C1 ZINC000083799323 534816150 /nfs/dbraw/zinc/81/61/50/534816150.db2.gz LMAONFHPUDATAQ-AWEZNQCLSA-N 1 0 282.428 3.023 10 0 CGAERO COc1ccc(O[C@@H]2C[C@H](C(C)C)CC[C@@H]2[NH3+])cc1 ZINC000054556331 524983826 /nfs/dbraw/zinc/98/38/26/524983826.db2.gz YTRWURZLYXMEPC-UHOFOFEASA-N 1 0 263.381 3.226 10 0 CGAERO C[C@@H]1CN(Cc2ccc(Br)cc2)C(C)(C)C[NH2+]1 ZINC000062710983 524987663 /nfs/dbraw/zinc/98/76/63/524987663.db2.gz XPKPZUKJYNXNSR-LLVKDONJSA-N 1 0 297.240 3.021 10 0 CGAERO C[C@@H]([NH3+])c1ccc(Sc2ncccn2)c(Cl)c1 ZINC000061700120 525030825 /nfs/dbraw/zinc/03/08/25/525030825.db2.gz YBEDSBDAUPOUKO-MRVPVSSYSA-N 1 0 265.769 3.301 10 0 CGAERO Cc1ccccc1C[N@H+]1C[C@H](C)NC[C@@H]1CC(C)C ZINC000062657367 525147703 /nfs/dbraw/zinc/14/77/03/525147703.db2.gz CHHLCUMKPDXVLX-RDJZCZTQSA-N 1 0 260.425 3.203 10 0 CGAERO C[C@H]([NH2+]CC(=O)N1CCCCCC1)c1ccc(F)c(F)c1 ZINC000102687681 525302992 /nfs/dbraw/zinc/30/29/92/525302992.db2.gz BMCOYXNAKKLOJU-LBPRGKRZSA-N 1 0 296.361 3.018 10 0 CGAERO Cc1ccccc1[C@@H]([NH3+])COc1cc(F)cc(F)c1 ZINC000054932854 525368208 /nfs/dbraw/zinc/36/82/08/525368208.db2.gz ZJFJZUZVTYIGGO-HNNXBMFYSA-N 1 0 263.287 3.352 10 0 CGAERO Cc1ccc([C@@H](C)[NH2+][C@@H](CN(C)C)C(C)C)s1 ZINC000049196821 525741587 /nfs/dbraw/zinc/74/15/87/525741587.db2.gz HNELBFNPYFVNHM-OLZOCXBDSA-N 1 0 254.443 3.293 10 0 CGAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCCC[C@@H]2O)s1 ZINC000049182711 525744168 /nfs/dbraw/zinc/74/41/68/525744168.db2.gz AEXMWZJIWUUOFO-UPJWGTAASA-N 1 0 253.411 3.401 10 0 CGAERO Cc1ccc([C@H]([NH3+])c2cc(F)cc(F)c2)cc1F ZINC000055222554 525964150 /nfs/dbraw/zinc/96/41/50/525964150.db2.gz QSQTWOGNSNZJPT-AWEZNQCLSA-N 1 0 251.251 3.460 10 0 CGAERO Cc1ccc(C(N)=[NH2+])c(S[C@@H]2CCC[C@H](C)C2)n1 ZINC000054691440 526012823 /nfs/dbraw/zinc/01/28/23/526012823.db2.gz LOQQTYGSLVTBKY-GXSJLCMTSA-N 1 0 263.410 3.345 10 0 CGAERO C[C@H](CC(=O)N1CCC[C@H](CC[NH3+])C1)CC(C)(C)C ZINC000070073739 526227149 /nfs/dbraw/zinc/22/71/49/526227149.db2.gz IMPROPJENVFIPC-ZIAGYGMSSA-N 1 0 268.445 3.036 10 0 CGAERO O[C@H](C[NH2+]CCc1ccsc1)c1ccc(Cl)cc1 ZINC000049180864 526276231 /nfs/dbraw/zinc/27/62/31/526276231.db2.gz FZVBJCXSSXUOCK-CQSZACIVSA-N 1 0 281.808 3.267 10 0 CGAERO Cc1csc(C[C@H]([NH3+])Cc2ccc(C)c(C)c2)n1 ZINC000055267741 526367451 /nfs/dbraw/zinc/36/74/51/526367451.db2.gz LMXLLDXIZZOKOM-CQSZACIVSA-N 1 0 260.406 3.181 10 0 CGAERO Clc1ccccc1COCCC[C@H]1CCC[NH2+]1 ZINC000052765235 526989875 /nfs/dbraw/zinc/98/98/75/526989875.db2.gz RBCDRBGOTFORPM-CYBMUJFWSA-N 1 0 253.773 3.389 10 0 CGAERO [NH3+]C[C@H](c1nc2ccccc2s1)c1ccccc1 ZINC000061609300 527230139 /nfs/dbraw/zinc/23/01/39/527230139.db2.gz COUTYPMTSHTZIZ-LBPRGKRZSA-N 1 0 254.358 3.387 10 0 CGAERO [NH3+]Cc1ccc(F)c(COc2cccc(F)c2F)c1 ZINC000062613161 527255028 /nfs/dbraw/zinc/25/50/28/527255028.db2.gz NBLZXACHXZDDBW-UHFFFAOYSA-N 1 0 267.250 3.142 10 0 CGAERO Cc1ncc(Cn2c(N)[nH+]c3cc(Cl)ccc32)s1 ZINC000049534181 527287343 /nfs/dbraw/zinc/28/73/43/527287343.db2.gz CTNLPQXQHWSDEQ-UHFFFAOYSA-N 1 0 278.768 3.085 10 0 CGAERO Nc1[nH+]c2cc(F)ccc2n1CCc1ccsc1 ZINC000049185017 527561232 /nfs/dbraw/zinc/56/12/32/527561232.db2.gz VNQXAQDZPAAPHT-UHFFFAOYSA-N 1 0 261.325 3.062 10 0 CGAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]C[C@H]1CCCO1 ZINC000156722283 529056142 /nfs/dbraw/zinc/05/61/42/529056142.db2.gz FQOAKNWCFZFXPW-GDBMZVCRSA-N 1 0 259.393 3.469 10 0 CGAERO CC[C@@H]1C[NH2+][C@@H](C)CN1c1ccc(F)cc1Cl ZINC000083418425 535825147 /nfs/dbraw/zinc/82/51/47/535825147.db2.gz FZELYBQPFPNFHB-GXSJLCMTSA-N 1 0 256.752 3.056 10 0 CGAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1c1ccc(F)c(F)c1 ZINC000083510429 535825299 /nfs/dbraw/zinc/82/52/99/535825299.db2.gz DDYMSTZEDTTWMS-IAQYHMDHSA-N 1 0 268.351 3.178 10 0 CGAERO CC[C@H]1CN(c2ccc(F)c(C(F)(F)F)c2)CC[NH2+]1 ZINC000083546782 536160480 /nfs/dbraw/zinc/16/04/80/536160480.db2.gz SPJYHWPBJDDDLI-VIFPVBQESA-N 1 0 276.277 3.033 10 0 CGAERO CC[C@H]1CN(c2ccc(F)cc2)[C@H](C(C)C)C[NH2+]1 ZINC000083383652 536160723 /nfs/dbraw/zinc/16/07/23/536160723.db2.gz UAIZOODHTKTPCD-ZFWWWQNUSA-N 1 0 250.361 3.039 10 0 CGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N(CC1CCC1)c1ccccc1 ZINC000261635263 572345311 /nfs/dbraw/zinc/34/53/11/572345311.db2.gz CCTRUBPFIFHHLT-NVXWUHKLSA-N 1 0 286.419 3.195 10 0 CGAERO CC(C)Cc1cncc(SCC[NH2+]C(C)C)c1 ZINC000757212987 617847012 /nfs/dbraw/zinc/84/70/12/617847012.db2.gz NAMCEUJZNDUKQO-UHFFFAOYSA-N 1 0 252.427 3.370 10 0 CGAERO Cc1nn(C)c2sc(C3C[C@H](C)[NH2+][C@@H](C)C3)cc12 ZINC000757220314 617849452 /nfs/dbraw/zinc/84/94/52/617849452.db2.gz YNMMVSHFCSLDAY-IUCAKERBSA-N 1 0 263.410 3.187 10 0 CGAERO Cc1nn(C)c(Cl)c1C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000237734275 618101852 /nfs/dbraw/zinc/10/18/52/618101852.db2.gz ZFMXUUQHBWIAIT-UHFFFAOYSA-N 1 0 293.842 3.296 10 0 CGAERO CCCCC[C@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000176298276 618470509 /nfs/dbraw/zinc/47/05/09/618470509.db2.gz ZKSKCKBNTVJEBT-CVEARBPZSA-N 1 0 280.456 3.146 10 0 CGAERO Cc1ccc([C@@H](C)NC(=O)CCCCCC[NH3+])cc1F ZINC000094956481 618770494 /nfs/dbraw/zinc/77/04/94/618770494.db2.gz BUXLBMFWQWUEQP-CYBMUJFWSA-N 1 0 280.387 3.221 10 0 CGAERO C[NH+](C)CCOc1ccc(N[C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000312313741 619058853 /nfs/dbraw/zinc/05/88/53/619058853.db2.gz APMJSDOFTJMHFJ-IAOVAPTHSA-N 1 0 274.408 3.228 10 0 CGAERO CC(C)CCCCCCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054308730 620217978 /nfs/dbraw/zinc/21/79/78/620217978.db2.gz FJBAMYWJIVXXCC-HNNXBMFYSA-N 1 0 268.445 3.099 10 0 CGAERO Cc1cc(N[C@@H](C)c2cccc(Cl)c2)nc(N)[nH+]1 ZINC000043532739 622318996 /nfs/dbraw/zinc/31/89/96/622318996.db2.gz FKMMNKIOIPYDDL-VIFPVBQESA-N 1 0 262.744 3.194 10 0 CGAERO C/C=C(/C)C[N@H+]1CC[C@@H](c2cc(OC)ccc2OC)C1 ZINC000229662039 623151770 /nfs/dbraw/zinc/15/17/70/623151770.db2.gz RYLBOMBMOILHHT-MECSIWFOSA-N 1 0 275.392 3.459 10 0 CGAERO O=C(C1CCCCCCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172807099 623285031 /nfs/dbraw/zinc/28/50/31/623285031.db2.gz UFXIKLWBONRKCK-MRXNPFEDSA-N 1 0 278.440 3.044 10 0 CGAERO CC(C)Oc1cncc(-c2ccc(C[C@@H](C)[NH3+])cc2)c1 ZINC000232713064 623483716 /nfs/dbraw/zinc/48/37/16/623483716.db2.gz ATKUPNCRSLBVSP-CYBMUJFWSA-N 1 0 270.376 3.426 10 0 CGAERO Cc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C[NH3+])cc1C ZINC000089386844 623737686 /nfs/dbraw/zinc/73/76/86/623737686.db2.gz SYDJCQQVKLJCEL-UKRRQHHQSA-N 1 0 260.381 3.007 10 0 CGAERO CC[C@H](C)[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C ZINC000180518691 624758625 /nfs/dbraw/zinc/75/86/25/624758625.db2.gz WLUCCUKDRBAJJT-YNEHKIRRSA-N 1 0 272.433 3.314 10 0 CGAERO O[C@H]1CCC[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000085125949 625796433 /nfs/dbraw/zinc/79/64/33/625796433.db2.gz FFGDWBHHFLCOEJ-HCWSGVFWSA-N 1 0 265.319 3.001 10 0 CGAERO Cc1cc(CN2C[C@H]3CCCC[N@H+]3C[C@@H]2C)cc(Cl)n1 ZINC000320832509 625976445 /nfs/dbraw/zinc/97/64/45/625976445.db2.gz HXQWXERXRLKAQI-DZGCQCFKSA-N 1 0 293.842 3.102 10 0 CGAERO C[C@H]1C[C@@]2(C[NH2+]C[C@@H]2C(=O)OC(C)(C)C)CC(C)(C)C1 ZINC000757186103 630588463 /nfs/dbraw/zinc/58/84/63/630588463.db2.gz VWXDRPVMKHARKP-XNJGSVPQSA-N 1 0 281.440 3.380 10 0 CGAERO COc1ccc(Cl)cc1C[NH2+][C@@H]1CCCCC[C@H]1O ZINC000135670458 637151019 /nfs/dbraw/zinc/15/10/19/637151019.db2.gz OFOPEVDWQFUDDQ-ZIAGYGMSSA-N 1 0 283.799 3.132 10 0 CGAERO CC(C)(C)OC(=O)NCC(C)(C)[NH2+]Cc1cccc(F)c1 ZINC000221050722 637718130 /nfs/dbraw/zinc/71/81/30/637718130.db2.gz IRLDEKPBVDSDEU-UHFFFAOYSA-N 1 0 296.386 3.219 10 0 CGAERO C[C@@H]1CC[N@H+](C[C@H](O)c2ccc3ccccc3c2)C1 ZINC000044162468 639959292 /nfs/dbraw/zinc/95/92/92/639959292.db2.gz XEXHIYKMXMPJPU-DYVFJYSZSA-N 1 0 255.361 3.215 10 0 CGAERO CSc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000089385874 640643047 /nfs/dbraw/zinc/64/30/47/640643047.db2.gz NJNKGYHZUBZECQ-RISCZKNCSA-N 1 0 278.421 3.112 10 0 CGAERO Cc1ccc(C)c(NC(=O)[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089386341 640643187 /nfs/dbraw/zinc/64/31/87/640643187.db2.gz XPMDEOWHPSNNHX-UONOGXRCSA-N 1 0 260.381 3.007 10 0 CGAERO Cc1cccc(Cc2noc([C@@H]3CCCC[C@H]3C[NH3+])n2)c1 ZINC000089383535 640643548 /nfs/dbraw/zinc/64/35/48/640643548.db2.gz YADXXFUVMKRSCW-LSDHHAIUSA-N 1 0 285.391 3.201 10 0 CGAERO [NH3+]C[C@H]1CCCC[C@H]1c1nc(Cc2ccccc2F)no1 ZINC000089383513 640643568 /nfs/dbraw/zinc/64/35/68/640643568.db2.gz YKFIXRSAKSQTIM-CHWSQXEVSA-N 1 0 289.354 3.032 10 0 CGAERO CC(C)(c1noc([C@H]2CCC[C@H]2C[NH3+])n1)c1ccccc1 ZINC000089431278 640645103 /nfs/dbraw/zinc/64/51/03/640645103.db2.gz DHMXRTROTHZZDH-JSGCOSHPSA-N 1 0 285.391 3.238 10 0 CGAERO C[C@H](C[NH3+])c1noc([C@@H]2CC[C@@H]3CCCC[C@H]3C2)n1 ZINC000251085663 640820544 /nfs/dbraw/zinc/82/05/44/640820544.db2.gz JAYNEGXEHGHGGC-MROQNXINSA-N 1 0 263.385 3.206 10 0 CGAERO C[C@H](CC1CC1)[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000251238687 640823255 /nfs/dbraw/zinc/82/32/55/640823255.db2.gz RVXGIYJJIVJFME-VHDGCEQUSA-N 1 0 296.455 3.458 10 0 CGAERO COc1ccc(CC[NH3+])cc1/C=C\c1ccccc1 ZINC000096845511 640841078 /nfs/dbraw/zinc/84/10/78/640841078.db2.gz OQKCYRVIZZFTRH-CLFYSBASSA-N 1 0 253.345 3.367 10 0 CGAERO CCOC(C[NH2+]Cc1ccc(C(F)(F)F)cc1)OCC ZINC000095591403 185014377 /nfs/dbraw/zinc/01/43/77/185014377.db2.gz YUHJRKFAHQXVTO-UHFFFAOYSA-N 1 0 291.313 3.194 10 0 CGAERO Cc1ccc([C@H]2CCC[NH2+]C2)cc1Br ZINC000095827102 185029008 /nfs/dbraw/zinc/02/90/08/185029008.db2.gz FKJRSLMUYLBPAN-NSHDSACASA-N 1 0 254.171 3.225 10 0 CGAERO Cc1ccc2ccccc2c1C(=O)[C@H]1CCC[NH2+]C1 ZINC000082726494 178242398 /nfs/dbraw/zinc/24/23/98/178242398.db2.gz SWKHVHNSGSWWPU-AWEZNQCLSA-N 1 0 253.345 3.331 10 0 CGAERO CCSc1ccc(C(=O)[C@H]([NH2+]C)C(C)C)cc1 ZINC000096890869 185124191 /nfs/dbraw/zinc/12/41/91/185124191.db2.gz DQNAGDCXOPIEIQ-CYBMUJFWSA-N 1 0 251.395 3.225 10 0 CGAERO [NH3+][C@H](Cc1cccnc1)c1ccc(Br)cc1 ZINC000096980779 185145170 /nfs/dbraw/zinc/14/51/70/185145170.db2.gz XQXUGCIOCUXUPV-CYBMUJFWSA-N 1 0 277.165 3.087 10 0 CGAERO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cccnc2)C12CCCC2 ZINC000125637263 187193793 /nfs/dbraw/zinc/19/37/93/187193793.db2.gz AJCFISVFJJOSKO-HZPDHXFCSA-N 1 0 274.408 3.251 10 0 CGAERO Cc1cc(C[NH2+][C@@H](C)CN(C)Cc2ccccc2)ccn1 ZINC000623485134 349818175 /nfs/dbraw/zinc/81/81/75/349818175.db2.gz PIJNPKHVPBIUGH-INIZCTEOSA-N 1 0 283.419 3.000 10 0 CGAERO CC[C@H]1C[NH2+][C@@H](C)CN1Cc1cc(F)ccc1Cl ZINC000083518154 178552650 /nfs/dbraw/zinc/55/26/50/178552650.db2.gz KGEAWMIWEJFSBW-GWCFXTLKSA-N 1 0 270.779 3.051 10 0 CGAERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2cccc(OC)c2)C1 ZINC000155224150 529760844 /nfs/dbraw/zinc/76/08/44/529760844.db2.gz AZOCSBHZVKUKRX-MRXNPFEDSA-N 1 0 299.418 3.291 10 0 CGAERO CC[N@@H+]1CCC[C@@H](OC(=O)Nc2ccc(C)cc2)C1 ZINC000002010100 344857046 /nfs/dbraw/zinc/85/70/46/344857046.db2.gz UONWZNLVCSWMSI-CQSZACIVSA-N 1 0 262.353 3.028 10 0 CGAERO CCCCN(C(=O)C[NH2+]CC)c1c(C)cccc1C ZINC000002033167 344857438 /nfs/dbraw/zinc/85/74/38/344857438.db2.gz ZUXOMMJSIQOKBS-UHFFFAOYSA-N 1 0 262.397 3.046 10 0 CGAERO CCCC[NH+](CCCC)CC(=O)Nn1c(C)ccc1C ZINC000003621788 344858852 /nfs/dbraw/zinc/85/88/52/344858852.db2.gz CMHSJYYALWXFDE-UHFFFAOYSA-N 1 0 279.428 3.077 10 0 CGAERO Cc1ccc(NC(=O)C2CCC([NH3+])CC2)cc1Cl ZINC000037622758 344951996 /nfs/dbraw/zinc/95/19/96/344951996.db2.gz XAKIHCHUMSMOFA-UHFFFAOYSA-N 1 0 266.772 3.104 10 0 CGAERO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C1CCC([NH3+])CC1 ZINC000037806541 344953129 /nfs/dbraw/zinc/95/31/29/344953129.db2.gz KELBXMACGYOOMW-ZOODHJKOSA-N 1 0 294.826 3.377 10 0 CGAERO C[C@H]([NH2+]Cc1cn[nH]c1)c1ccc2ccccc2c1 ZINC000038005801 344954261 /nfs/dbraw/zinc/95/42/61/344954261.db2.gz DJTWXKHPQARXLA-LBPRGKRZSA-N 1 0 251.333 3.414 10 0 CGAERO C[NH2+]Cc1ccccc1Sc1ccc(OC)cc1N ZINC000039082350 344957343 /nfs/dbraw/zinc/95/73/43/344957343.db2.gz XHBDNLRFANETTJ-UHFFFAOYSA-N 1 0 274.389 3.148 10 0 CGAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc2oc(C(C)C)nc2c1 ZINC000037041356 344947073 /nfs/dbraw/zinc/94/70/73/344947073.db2.gz BCWAXFKIMVYIQG-IINYFYTJSA-N 1 0 289.379 3.263 10 0 CGAERO CC(C)[C@H](C)[NH2+][C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000042291328 344981814 /nfs/dbraw/zinc/98/18/14/344981814.db2.gz FUPDCEYJNAJCHT-QWHCGFSZSA-N 1 0 285.391 3.196 10 0 CGAERO [NH3+][C@H](CCO)c1c(Cl)ccc(Cl)c1Cl ZINC000044232608 345006392 /nfs/dbraw/zinc/00/63/92/345006392.db2.gz HIJNWVUVRXIWLJ-SSDOTTSWSA-N 1 0 254.544 3.029 10 0 CGAERO COCC[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000045023845 345019049 /nfs/dbraw/zinc/01/90/49/345019049.db2.gz RUMBRRAJMLCXDH-OUAUKWLOSA-N 1 0 253.308 3.122 10 0 CGAERO c1ccc2c(c1)CC[NH2+][C@@H]2c1cccc2cnccc21 ZINC000070209507 345389680 /nfs/dbraw/zinc/38/96/80/345389680.db2.gz YMJDFFGAAVMLJK-SFHVURJKSA-N 1 0 260.340 3.470 10 0 CGAERO C[NH2+][C@H]1CCOc2c(Cl)ccc(Br)c21 ZINC000069717463 345384212 /nfs/dbraw/zinc/38/42/12/345384212.db2.gz HSCVBHLKPXMPBP-QMMMGPOBSA-N 1 0 276.561 3.146 10 0 CGAERO Cc1cnn(CC[NH2+][C@@H](C)CCc2cccc(C)c2)c1 ZINC000123926860 232188145 /nfs/dbraw/zinc/18/81/45/232188145.db2.gz UOXYTDRPMFIQCF-INIZCTEOSA-N 1 0 271.408 3.111 10 0 CGAERO Cc1cc(OC(C)C)ccc1NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000070575792 345392183 /nfs/dbraw/zinc/39/21/83/345392183.db2.gz BYUCEGPLBFEVHW-UONOGXRCSA-N 1 0 290.407 3.238 10 0 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CGAERO COc1ccc([C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000115310101 345970453 /nfs/dbraw/zinc/97/04/53/345970453.db2.gz HNZBMXOBIJHWLS-CXAGYDPISA-N 1 0 255.361 3.369 10 0 CGAERO CCCC(=O)N[C@@H]1CCC[N@H+](C[C@@H](C)c2ccccc2)C1 ZINC000116878329 345980301 /nfs/dbraw/zinc/98/03/01/345980301.db2.gz OMMPPVUEMCNLJS-NVXWUHKLSA-N 1 0 288.435 3.171 10 0 CGAERO c1cc2c(nccc2-c2cccc(C[NH2+]C3CC3)c2)[nH]1 ZINC000116923953 345980456 /nfs/dbraw/zinc/98/04/56/345980456.db2.gz XGYLUPDBTGIVMU-UHFFFAOYSA-N 1 0 263.344 3.482 10 0 CGAERO COc1ccc([C@@H]2CC[NH2+]CCN2c2ccccc2)cc1 ZINC000117618339 345984872 /nfs/dbraw/zinc/98/48/72/345984872.db2.gz KEXKBZWFGUFWEV-SFHVURJKSA-N 1 0 282.387 3.236 10 0 CGAERO Cc1ccc(C(=O)Nc2ccc([C@H]3CC[NH2+]C3)cc2)cc1 ZINC000117721032 345985553 /nfs/dbraw/zinc/98/55/53/345985553.db2.gz NBPLQNFIUUAVJB-INIZCTEOSA-N 1 0 280.371 3.324 10 0 CGAERO c1ccc2c(c1)CC[NH2+][C@H]2c1ccc2cccnc2c1 ZINC000130141690 346054608 /nfs/dbraw/zinc/05/46/08/346054608.db2.gz GYPGYHJSWLCHFA-SFHVURJKSA-N 1 0 260.340 3.470 10 0 CGAERO [NH2+]=C(NC1CC1)c1ccc(Cl)c(Br)c1 ZINC000126881453 346027180 /nfs/dbraw/zinc/02/71/80/346027180.db2.gz BDULEYWOWIXCJI-UHFFFAOYSA-N 1 0 273.561 3.180 10 0 CGAERO CC[C@@H]1C[C@@H]([NH3+])c2ccc(Br)cc2O1 ZINC000130823492 346060721 /nfs/dbraw/zinc/06/07/21/346060721.db2.gz ZCHUWOXFUQRPSC-PSASIEDQSA-N 1 0 256.143 3.010 10 0 CGAERO C[C@@H]1CCc2c(C[NH3+])c(Br)sc2C1 ZINC000132834333 346074374 /nfs/dbraw/zinc/07/43/74/346074374.db2.gz MSFIYZMKSUGTCS-ZCFIWIBFSA-N 1 0 260.200 3.094 10 0 CGAERO Cc1cccc(C)c1-c1cccc2c1O[C@H](C[NH3+])CO2 ZINC000136633674 346091717 /nfs/dbraw/zinc/09/17/17/346091717.db2.gz VUVMKSRYYLCQDV-CYBMUJFWSA-N 1 0 269.344 3.069 10 0 CGAERO Cc1cccc(C)c1-c1cccc2c1O[C@H](C[NH3+])C2 ZINC000137251297 346093376 /nfs/dbraw/zinc/09/33/76/346093376.db2.gz UHVPWPUIFXZKRX-AWEZNQCLSA-N 1 0 253.345 3.233 10 0 CGAERO O=C1CC[N@@H+]2CC(c3ccccc3)(c3ccccc3)C[C@H]2C1 ZINC000141506884 346108191 /nfs/dbraw/zinc/10/81/91/346108191.db2.gz IWBIPQJCOGNSLR-GOSISDBHSA-N 1 0 291.394 3.410 10 0 CGAERO COc1ccc(C[C@H]2[NH2+]CCc3ccsc32)cc1 ZINC000149653787 346131082 /nfs/dbraw/zinc/13/10/82/346131082.db2.gz NLWJTQSSNJOFFC-CQSZACIVSA-N 1 0 259.374 3.186 10 0 CGAERO F[C@@H](c1occc1Br)[C@@H]1CCC[NH2+]C1 ZINC000158280029 346163599 /nfs/dbraw/zinc/16/35/99/346163599.db2.gz BZQXGEKMWCGBEO-VXNVDRBHSA-N 1 0 262.122 3.052 10 0 CGAERO F[C@H](c1occc1Br)[C@@H]1CCC[NH2+]C1 ZINC000158280171 346163849 /nfs/dbraw/zinc/16/38/49/346163849.db2.gz BZQXGEKMWCGBEO-APPZFPTMSA-N 1 0 262.122 3.052 10 0 CGAERO Cc1ccc([C@@H]2C[NH2+][C@@H](C)C2)cc1Br ZINC000165042333 346183152 /nfs/dbraw/zinc/18/31/52/346183152.db2.gz LIHUVBREPMMRGT-ONGXEEELSA-N 1 0 254.171 3.223 10 0 CGAERO COCc1ccc(C([NH3+])c2ccc(COC)cc2)cc1 ZINC000165450544 346184984 /nfs/dbraw/zinc/18/49/84/346184984.db2.gz USYPMCHLILFIIJ-UHFFFAOYSA-N 1 0 271.360 3.028 10 0 CGAERO Cc1ccc([C@H](C)[NH2+]Cc2cnc3c(C)cccn23)o1 ZINC000174244112 346240074 /nfs/dbraw/zinc/24/00/74/346240074.db2.gz NAUNXUIJKNWZDD-ZDUSSCGKSA-N 1 0 269.348 3.395 10 0 CGAERO CC[C@@]1(c2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC000233973234 346330509 /nfs/dbraw/zinc/33/05/09/346330509.db2.gz MGQUZSVCIXSPLA-PWSUYJOCSA-N 1 0 254.171 3.076 10 0 CGAERO [NH3+]C/C=C/c1cc(Br)c(Cl)s1 ZINC000227957976 346312872 /nfs/dbraw/zinc/31/28/72/346312872.db2.gz JFDWJULTKKCUMG-OWOJBTEDSA-N 1 0 252.564 3.136 10 0 CGAERO C[C@@H]([NH3+])C[C@H](C)Nc1ccnc2cc(Cl)ccc21 ZINC000228269319 346314047 /nfs/dbraw/zinc/31/40/47/346314047.db2.gz JGKHHQYZPQUSFJ-ZJUUUORDSA-N 1 0 263.772 3.426 10 0 CGAERO COc1ccc([C@@H]2C[C@H]([NH3+])c3ccccc3O2)cc1OC ZINC000229094035 346316300 /nfs/dbraw/zinc/31/63/00/346316300.db2.gz FRSNCCFGBBOJSG-BBRMVZONSA-N 1 0 285.343 3.227 10 0 CGAERO CC[C@@H]1[C@H]([NH3+])C[C@@H]1c1cc(Br)cs1 ZINC000229870850 346319146 /nfs/dbraw/zinc/31/91/46/346319146.db2.gz FPZRTDAEBHHPQD-XHNCKOQMSA-N 1 0 260.200 3.351 10 0 CGAERO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000238089353 346348041 /nfs/dbraw/zinc/34/80/41/346348041.db2.gz VIDFRQIELRBMKJ-HZSPNIEDSA-N 1 0 282.428 3.151 10 0 CGAERO CCC[C@@H]([NH3+])c1sccc1I ZINC000238241404 346348103 /nfs/dbraw/zinc/34/81/03/346348103.db2.gz MLRJECQUYMDPNQ-SSDOTTSWSA-N 1 0 281.162 3.153 10 0 CGAERO Cc1nc(C[C@H]2CCC[N@@H+](C[C@H](C)c3ccccc3)C2)no1 ZINC000247068362 346367386 /nfs/dbraw/zinc/36/73/86/346367386.db2.gz KRAIRWHWHPVUJS-GOEBONIOSA-N 1 0 299.418 3.436 10 0 CGAERO CC[NH+](CC)[C@@H](C)CNC(=O)CC/C=C\c1ccccc1 ZINC000255660933 346397706 /nfs/dbraw/zinc/39/77/06/346397706.db2.gz IIFGZTCUYNPDNQ-OVHOFWQVSA-N 1 0 288.435 3.327 10 0 CGAERO C[C@H]1[C@H]([NH3+])[C@@H](C)[C@@H]1c1cccc(Br)c1 ZINC000300353256 346436889 /nfs/dbraw/zinc/43/68/89/346436889.db2.gz VNADDPFGEAOJNT-ZTCHHREXSA-N 1 0 254.171 3.146 10 0 CGAERO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCCC[C@H]2O)C1 ZINC000300316922 346436894 /nfs/dbraw/zinc/43/68/94/346436894.db2.gz XZGKZZVYXPIEAQ-QKPAOTATSA-N 1 0 253.430 3.484 10 0 CGAERO [NH3+]Cc1ccc(Br)c(Cl)c1Cl ZINC000300867884 346438608 /nfs/dbraw/zinc/43/86/08/346438608.db2.gz KDUVYIXDSCSPPL-UHFFFAOYSA-N 1 0 254.942 3.215 10 0 CGAERO C[C@H]1[C@H](Nc2ccnc(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000306729072 346457520 /nfs/dbraw/zinc/45/75/20/346457520.db2.gz OGFAKZWOLTWHSZ-XJKSGUPXSA-N 1 0 285.366 3.296 10 0 CGAERO C[C@@H]1N(Cc2ccccc2)CC[C@@]12[NH2+]CCc1sccc12 ZINC000307546722 346463735 /nfs/dbraw/zinc/46/37/35/346463735.db2.gz BQQVENUDELYOPD-KBXCAEBGSA-N 1 0 298.455 3.384 10 0 CGAERO C[C@H]1Cc2ccccc2N([C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000103976273 136553632 /nfs/dbraw/zinc/55/36/32/136553632.db2.gz XHKQBNIJEAWTBN-JLJPHGGASA-N 1 0 258.409 3.345 10 0 CGAERO CCNc1c(N)c[nH+]c2ccc(-c3ccccc3)cc21 ZINC000584882823 346721277 /nfs/dbraw/zinc/72/12/77/346721277.db2.gz UUEKXKOFFRVEDG-UHFFFAOYSA-N 1 0 263.344 3.338 10 0 CGAERO CC[C@@H](O)C(C[C@@H](C)[NH3+])(c1ccccc1)c1ccccc1 ZINC000584594922 346686908 /nfs/dbraw/zinc/68/69/08/346686908.db2.gz IZZIQFNJHDNHIZ-CRAIPNDOSA-N 1 0 283.415 3.481 10 0 CGAERO COCCCOc1cc(C[C@H]([NH3+])C(C)(C)C)ccc1OC ZINC000584594849 346687009 /nfs/dbraw/zinc/68/70/09/346687009.db2.gz BUMMZXPUZSFNSG-INIZCTEOSA-N 1 0 295.423 3.026 10 0 CGAERO CC[NH+](CC)CCOc1ccc(CC[C@H](O)C2CC2)cc1 ZINC000584597025 346687604 /nfs/dbraw/zinc/68/76/04/346687604.db2.gz SNCZLPJYYGNRGO-SFHVURJKSA-N 1 0 291.435 3.111 10 0 CGAERO Cc1cc(C)nc(N(C#N)CC[NH+](C(C)C)C(C)C)c1 ZINC000584600705 346689213 /nfs/dbraw/zinc/68/92/13/346689213.db2.gz YCAFKVLGTWUTIR-UHFFFAOYSA-N 1 0 274.412 3.105 10 0 CGAERO C[NH2+]CCCN1Cc2ccccc2CCc2ccccc21 ZINC000584602236 346689878 /nfs/dbraw/zinc/68/98/78/346689878.db2.gz ZIFWPKURGUUGQH-UHFFFAOYSA-N 1 0 280.415 3.401 10 0 CGAERO CC[NH2+]CCCC1=N[C@H](c2ccc(Cl)cc2)N(CC)O1 ZINC000584614116 346693079 /nfs/dbraw/zinc/69/30/79/346693079.db2.gz QKOFIAJFJWAOEF-HNNXBMFYSA-N 1 0 295.814 3.394 10 0 CGAERO C[N@@H+]1CC[C@@H](c2ccccc2)c2ccc(O)cc2C1 ZINC000584617070 346693857 /nfs/dbraw/zinc/69/38/57/346693857.db2.gz FMWOKLKALGCKQT-KRWDZBQOSA-N 1 0 253.345 3.360 10 0 CGAERO Cc1ccc2c(ccc(C)c2[C@@H](O)C[NH2+]C(C)C)c1 ZINC000584620441 346695775 /nfs/dbraw/zinc/69/57/75/346695775.db2.gz HYWAIPJTACSPJM-INIZCTEOSA-N 1 0 257.377 3.488 10 0 CGAERO COc1cc2c(cc1OC)[C@@H](C[NH2+]C(C)C)CCC2 ZINC000584620789 346695883 /nfs/dbraw/zinc/69/58/83/346695883.db2.gz WHLNFABKEMXMQC-CYBMUJFWSA-N 1 0 263.381 3.122 10 0 CGAERO Cc1cc(C)c(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1C ZINC000128485999 187373653 /nfs/dbraw/zinc/37/36/53/187373653.db2.gz MCVVASCQZRWEHH-QGZVFWFLSA-N 1 0 298.434 3.116 10 0 CGAERO COC(=O)CCCC[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000599277801 347731863 /nfs/dbraw/zinc/73/18/63/347731863.db2.gz IEWSTPMUBYCQJY-LBPRGKRZSA-N 1 0 282.409 3.013 10 0 CGAERO CC1CC(C[NH3+])(COCc2ccccc2Br)C1 ZINC000606303835 348174281 /nfs/dbraw/zinc/17/42/81/348174281.db2.gz XEPRWVRABWDNIP-UHFFFAOYSA-N 1 0 298.224 3.341 10 0 CGAERO CC(C)(C)[N@@H+]1CC[C@H](c2cc3ccccc3nn2)C1 ZINC000616613885 348846585 /nfs/dbraw/zinc/84/65/85/348846585.db2.gz UKRKNASGUXSSAV-ZDUSSCGKSA-N 1 0 255.365 3.218 10 0 CGAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2ccc3nnccc3c2)CC1 ZINC000616596200 348839061 /nfs/dbraw/zinc/83/90/61/348839061.db2.gz RDZLBJKZGAREHD-MRXNPFEDSA-N 1 0 285.391 3.192 10 0 CGAERO CC[N@@H+]1CCO[C@@H](c2cnc3ccccc3c2)CC1 ZINC000616595175 348839309 /nfs/dbraw/zinc/83/93/09/348839309.db2.gz UKGQCTXIZUTAPU-MRXNPFEDSA-N 1 0 256.349 3.018 10 0 CGAERO CC[N@@H+]1CCOCC[C@@H]1c1nccc2ccccc21 ZINC000616597601 348840558 /nfs/dbraw/zinc/84/05/58/348840558.db2.gz CTCIQRARKHWPIG-OAHLLOKOSA-N 1 0 256.349 3.018 10 0 CGAERO CC[N@@H+]1CCC[C@H](c2cccc3ccnnc32)CC1 ZINC000616601035 348842324 /nfs/dbraw/zinc/84/23/24/348842324.db2.gz INCPRVSYJBQQBE-ZDUSSCGKSA-N 1 0 255.365 3.219 10 0 CGAERO CC(C)[N@@H+]1CCOC[C@H]1c1ccnc2ccccc21 ZINC000616601603 348842394 /nfs/dbraw/zinc/84/23/94/348842394.db2.gz NQDAJRWUMRAAAL-INIZCTEOSA-N 1 0 256.349 3.017 10 0 CGAERO Nc1ncccc1[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC000616610519 348844864 /nfs/dbraw/zinc/84/48/64/348844864.db2.gz LKZKVQPTIMWCCR-MRXNPFEDSA-N 1 0 281.403 3.434 10 0 CGAERO 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PZKXDORVMIPNBV-QAPCUYQASA-N 1 0 295.430 3.212 10 0 CGAERO CC[C@@H]1[C@H]([NH3+])C[C@H]1c1ccc(Br)s1 ZINC000251618756 377590757 /nfs/dbraw/zinc/59/07/57/377590757.db2.gz LJRZAIGKTCHMQP-XLPZGREQSA-N 1 0 260.200 3.351 10 0 CGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(Cl)cc1 ZINC000252580121 377637177 /nfs/dbraw/zinc/63/71/77/377637177.db2.gz PMEXIANCFUGETG-CVEARBPZSA-N 1 0 278.827 3.399 10 0 CGAERO CCc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)o1 ZINC000252696297 377651682 /nfs/dbraw/zinc/65/16/82/377651682.db2.gz XQNPECZHKDPOBA-QMGNLALYSA-N 1 0 263.381 3.306 10 0 CGAERO C[C@@H]([NH2+]Cc1ncc(Cl)cc1Cl)[C@@H]1CCCO1 ZINC000183235647 542228176 /nfs/dbraw/zinc/22/81/76/542228176.db2.gz DDKHIMGYAGGEIC-PELKAZGASA-N 1 0 275.179 3.046 10 0 CGAERO C[C@H]([NH2+]Cc1ncc(-c2ccc(F)cc2)o1)[C@H]1CCCO1 ZINC000183104542 542228381 /nfs/dbraw/zinc/22/83/81/542228381.db2.gz FODMHTHWMVYHHQ-SMDDNHRTSA-N 1 0 290.338 3.138 10 0 CGAERO C[C@@H]1CC[C@@]1([NH3+])Cc1cc(Br)cs1 ZINC000575557457 377917363 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266.816 3.471 10 0 CGAERO CC[C@@H]1CN(c2cc(C)ccc2OC)[C@H](C(C)C)C[NH2+]1 ZINC000083549934 135029503 /nfs/dbraw/zinc/02/95/03/135029503.db2.gz PFQYOCVOBKLCQM-ZBFHGGJFSA-N 1 0 276.424 3.216 10 0 CGAERO Nc1ccc(C[NH3+])cc1-c1cccc(Br)c1 ZINC000669379831 543104109 /nfs/dbraw/zinc/10/41/09/543104109.db2.gz FKKNBMPUMOYXPJ-UHFFFAOYSA-N 1 0 277.165 3.157 10 0 CGAERO CC(C)Cc1ccc([C@H](C)NC(=O)CC[NH2+]C(C)C)cc1 ZINC000037618530 397608333 /nfs/dbraw/zinc/60/83/33/397608333.db2.gz BFWMEKPEOISSMY-HNNXBMFYSA-N 1 0 290.451 3.450 10 0 CGAERO CCc1ccc(-c2noc(C3CCC([NH3+])CC3)n2)cc1 ZINC000037562340 397608600 /nfs/dbraw/zinc/60/86/00/397608600.db2.gz WIIXMXMWKQHTQX-UHFFFAOYSA-N 1 0 271.364 3.284 10 0 CGAERO FC(F)(F)Oc1ccccc1C[NH2+]CC[C@@H]1CCCO1 ZINC000037988858 397609916 /nfs/dbraw/zinc/60/99/16/397609916.db2.gz UAFUOMXVFCRQEC-LBPRGKRZSA-N 1 0 289.297 3.244 10 0 CGAERO c1cc2c(s1)CC[NH2+][C@@H]2c1cnn(Cc2ccccc2)c1 ZINC000306559006 397678255 /nfs/dbraw/zinc/67/82/55/397678255.db2.gz 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Clc1ccc(OCC[NH2+]C[C@H]2CCCO2)c(Cl)c1 ZINC000006240534 170184717 /nfs/dbraw/zinc/18/47/17/170184717.db2.gz FUQYXJBQTHAJKS-LLVKDONJSA-N 1 0 290.190 3.141 10 0 CGAERO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCCC[C@@H]2C)cc1 ZINC000007092044 170267261 /nfs/dbraw/zinc/26/72/61/170267261.db2.gz PBCJZJVWFWGCLZ-DZKIICNBSA-N 1 0 274.408 3.490 10 0 CGAERO [NH3+]CCc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000011805744 170443442 /nfs/dbraw/zinc/44/34/42/170443442.db2.gz YNPRBAOKZQSODT-UHFFFAOYSA-N 1 0 261.752 3.420 10 0 CGAERO Cc1cc(C)cc(COc2ccc(CC[NH3+])cc2)c1 ZINC000013681026 170577043 /nfs/dbraw/zinc/57/70/43/170577043.db2.gz XYTZWTMRMMCVOJ-UHFFFAOYSA-N 1 0 255.361 3.384 10 0 CGAERO CCN(Cc1ccc(C[NH3+])cc1F)c1ccccc1 ZINC000019392148 170781710 /nfs/dbraw/zinc/78/17/10/170781710.db2.gz ZVHSJHZYJCRVOK-UHFFFAOYSA-N 1 0 258.340 3.311 10 0 CGAERO COc1cccc(O[C@H](C[NH3+])c2ccc(Cl)cc2)c1 ZINC000019671001 170835359 /nfs/dbraw/zinc/83/53/59/170835359.db2.gz SWLYFUIGICQZKK-OAHLLOKOSA-N 1 0 277.751 3.427 10 0 CGAERO CCOc1ccc(O[C@@H](C[NH3+])c2ccccc2)cc1 ZINC000019670806 170835494 /nfs/dbraw/zinc/83/54/94/170835494.db2.gz NSVFCLNPGJBARZ-INIZCTEOSA-N 1 0 257.333 3.164 10 0 CGAERO Cc1ccc(C)c([C@@H]([NH3+])CN(C)c2ccccc2)c1 ZINC000019998966 170965295 /nfs/dbraw/zinc/96/52/95/170965295.db2.gz IOUXWEOJSCSZAG-KRWDZBQOSA-N 1 0 254.377 3.440 10 0 CGAERO CC[NH+](CC)CCNc1ccc(OC(F)(F)F)cc1 ZINC000020047498 170978048 /nfs/dbraw/zinc/97/80/48/170978048.db2.gz QUYFJBLQAWHMEK-UHFFFAOYSA-N 1 0 276.302 3.339 10 0 CGAERO COCCOCCC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000020191775 171057525 /nfs/dbraw/zinc/05/75/25/171057525.db2.gz HDEMRWRPWDFANJ-GJZGRUSLSA-N 1 0 271.445 3.234 10 0 CGAERO [NH3+]CCOCCOc1c(Cl)cc(Cl)cc1Cl ZINC000020221478 171083325 /nfs/dbraw/zinc/08/33/25/171083325.db2.gz IAURSOQINIDYSM-UHFFFAOYSA-N 1 0 284.570 3.001 10 0 CGAERO Cc1cccc(CN(C)[C@H](C[NH3+])c2ccccc2F)c1 ZINC000020225597 171087866 /nfs/dbraw/zinc/08/78/66/171087866.db2.gz XKKXVYRBBJMNAG-QGZVFWFLSA-N 1 0 272.367 3.266 10 0 CGAERO Cc1ccc([C@H](C[NH3+])N(C)Cc2cccc(C)c2)cc1 ZINC000020225542 171088663 /nfs/dbraw/zinc/08/86/63/171088663.db2.gz IAXBZORGQGKGMT-SFHVURJKSA-N 1 0 268.404 3.435 10 0 CGAERO CCOc1ccccc1[C@@H](C[NH3+])N(C)CC(C)(C)C ZINC000020226164 171090183 /nfs/dbraw/zinc/09/01/83/171090183.db2.gz JKXRVQAKAKYQJM-CQSZACIVSA-N 1 0 264.413 3.063 10 0 CGAERO CN(CC(C)(C)C)[C@@H](C[NH3+])c1c(F)cccc1Cl ZINC000020226290 171091608 /nfs/dbraw/zinc/09/16/08/171091608.db2.gz QHSCLUOLBQYIGJ-LBPRGKRZSA-N 1 0 272.795 3.457 10 0 CGAERO C[N@H+](CC1CC1)[C@H](CN)c1ccc(C(C)(C)C)cc1 ZINC000020226327 171091688 /nfs/dbraw/zinc/09/16/88/171091688.db2.gz SOWTWPIJJQSTHX-MRXNPFEDSA-N 1 0 260.425 3.326 10 0 CGAERO CCCN(C)[C@@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000020226696 171092004 /nfs/dbraw/zinc/09/20/04/171092004.db2.gz PKXRTMCMAUMJLJ-LBPRGKRZSA-N 1 0 261.196 3.335 10 0 CGAERO Cc1ccc(N(CCC[NH3+])Cc2ccco2)c(C)c1 ZINC000020237802 171096329 /nfs/dbraw/zinc/09/63/29/171096329.db2.gz IRULOGDDXHWNKW-UHFFFAOYSA-N 1 0 258.365 3.252 10 0 CGAERO [NH3+][C@@H]1c2ccccc2CC[C@H]1Oc1cccc(F)c1 ZINC000020262674 171121054 /nfs/dbraw/zinc/12/10/54/171121054.db2.gz VBBBNOXIYONXFM-HZPDHXFCSA-N 1 0 257.308 3.219 10 0 CGAERO CC(C)(C)c1ccc(OCCSCC[NH3+])cc1 ZINC000020399357 171181486 /nfs/dbraw/zinc/18/14/86/171181486.db2.gz YNXCFRYLDVRXGY-UHFFFAOYSA-N 1 0 253.411 3.055 10 0 CGAERO [NH3+][C@H](Cc1ccccn1)c1cc(Br)ccc1F ZINC000020428972 171193874 /nfs/dbraw/zinc/19/38/74/171193874.db2.gz MGEALUOFKQQERL-CYBMUJFWSA-N 1 0 295.155 3.226 10 0 CGAERO [NH3+][C@@H](Cc1ccccn1)c1ccccc1Br ZINC000020428979 171194138 /nfs/dbraw/zinc/19/41/38/171194138.db2.gz GSWHGNOGQKENFZ-ZDUSSCGKSA-N 1 0 277.165 3.087 10 0 CGAERO CC[N@@H+](Cc1ccccc1)C[C@H](N)c1ccccc1 ZINC000020486640 171225784 /nfs/dbraw/zinc/22/57/84/171225784.db2.gz QSECBMDWAHZDGI-KRWDZBQOSA-N 1 0 254.377 3.209 10 0 CGAERO CCCCOCCOc1ccc(F)cc1[C@@H](C)[NH3+] ZINC000020517001 171232645 /nfs/dbraw/zinc/23/26/45/171232645.db2.gz UFZJXLAUKDEXNU-LLVKDONJSA-N 1 0 255.333 3.041 10 0 CGAERO CCCCOCCOc1ccc([C@@H](C)[NH3+])cc1F ZINC000020517003 171232656 /nfs/dbraw/zinc/23/26/56/171232656.db2.gz BXFLCBYZSBXCCQ-LLVKDONJSA-N 1 0 255.333 3.041 10 0 CGAERO CC[C@H]([NH3+])c1ccccc1OCC(F)(F)C(F)F ZINC000020518378 171233191 /nfs/dbraw/zinc/23/31/91/171233191.db2.gz REXXPQPKJWEMMF-VIFPVBQESA-N 1 0 265.250 3.376 10 0 CGAERO c1ccc(-c2ccccc2OCC[NH2+]C2CC2)cc1 ZINC000020525384 171238108 /nfs/dbraw/zinc/23/81/08/171238108.db2.gz ILWKEKWFEISREV-UHFFFAOYSA-N 1 0 253.345 3.484 10 0 CGAERO CC(C)[NH2+]CCCOc1ccc(F)cc1Br ZINC000020525405 171238111 /nfs/dbraw/zinc/23/81/11/171238111.db2.gz QWUJOIBACJZVJD-UHFFFAOYSA-N 1 0 290.176 3.355 10 0 CGAERO Cc1ccc([C@@H]([NH3+])CN(C)c2ccccc2)c(C)c1 ZINC000020549803 171246639 /nfs/dbraw/zinc/24/66/39/171246639.db2.gz RRUUXLZTDCQTJI-KRWDZBQOSA-N 1 0 254.377 3.440 10 0 CGAERO CN(CCCN1Cc2ccccc2C1=[NH2+])c1ccccc1 ZINC000020556986 171250190 /nfs/dbraw/zinc/25/01/90/171250190.db2.gz WPKOWZRZTPGTJR-UHFFFAOYSA-N 1 0 279.387 3.354 10 0 CGAERO [NH3+][C@@H]1CCCCCC[C@H]1Oc1ccc(F)cc1F ZINC000021013926 171289013 /nfs/dbraw/zinc/28/90/13/171289013.db2.gz LVTQDBVYZKDETE-TZMCWYRMSA-N 1 0 255.308 3.394 10 0 CGAERO C[C@@H]1CCC[N@@H+]([C@@]2(CN)C[C@@H](C)CC(C)(C)C2)C1 ZINC000021513409 171311434 /nfs/dbraw/zinc/31/14/34/171311434.db2.gz CGLNXMNYJDKPTC-YCPHGPKFSA-N 1 0 252.446 3.262 10 0 CGAERO CC(C)C[C@@H](C[NH2+]C1[C@H](C)CCC[C@@H]1C)N1CCOCC1 ZINC000021810745 171328957 /nfs/dbraw/zinc/32/89/57/171328957.db2.gz YQIWZABSEGRHAM-KTGAGVNESA-N 1 0 296.499 3.148 10 0 CGAERO Cc1c(N)cccc1NC(=O)CCC[N@H+]1CCCC[C@H]1C ZINC000022156464 171362979 /nfs/dbraw/zinc/36/29/79/171362979.db2.gz FOYKGYNLPWWBGC-CYBMUJFWSA-N 1 0 289.423 3.170 10 0 CGAERO CN(C)[C@H](C[NH3+])c1cccc(Oc2ccccc2)c1 ZINC000022210178 171373075 /nfs/dbraw/zinc/37/30/75/171373075.db2.gz LBKOFPGWSIUVKN-MRXNPFEDSA-N 1 0 256.349 3.040 10 0 CGAERO C[C@@H]([NH3+])c1cccc(NC(=O)Nc2ccccc2)c1 ZINC000022212386 171373757 /nfs/dbraw/zinc/37/37/57/171373757.db2.gz ICXIZJKJVWRVNZ-LLVKDONJSA-N 1 0 255.321 3.350 10 0 CGAERO [NH3+][C@H]1CC[C@@H](c2ccccc2)C[C@@H]1OCC(F)(F)F ZINC000022565150 171391824 /nfs/dbraw/zinc/39/18/24/171391824.db2.gz WNTKJLMOEHTZAW-AGIUHOORSA-N 1 0 273.298 3.229 10 0 CGAERO COc1ccc(OC)c([C@@H]([NH3+])COC2CCCCC2)c1 ZINC000022566311 171392084 /nfs/dbraw/zinc/39/20/84/171392084.db2.gz SZEXKRIJPCCMFB-HNNXBMFYSA-N 1 0 279.380 3.053 10 0 CGAERO CC[NH2+][C@H](C)c1ccccc1Sc1nncs1 ZINC000034668983 171855698 /nfs/dbraw/zinc/85/56/98/171855698.db2.gz DBGCMAXCROGYAU-SECBINFHSA-N 1 0 265.407 3.360 10 0 CGAERO CC[NH2+][C@H](C)c1ccc(OCCOC(C)C)cc1 ZINC000034843092 171885815 /nfs/dbraw/zinc/88/58/15/171885815.db2.gz AFQXYSBODBUQCT-CYBMUJFWSA-N 1 0 251.370 3.161 10 0 CGAERO CN1c2ccc([C@H]([NH3+])CCC3CCCC3)cc2CC1=O ZINC000034940642 171900464 /nfs/dbraw/zinc/90/04/64/171900464.db2.gz BBEIKRJTLRJKGE-OAHLLOKOSA-N 1 0 272.392 3.176 10 0 CGAERO COc1cc(C[NH2+][C@H](C)c2ccco2)cc(OC)c1 ZINC000035137041 172004083 /nfs/dbraw/zinc/00/40/83/172004083.db2.gz CDNOARIPTBXIBE-LLVKDONJSA-N 1 0 261.321 3.148 10 0 CGAERO C(C[NH2+]C1C2CC3CC(C2)CC1C3)COCC1CC1 ZINC000035163345 172024663 /nfs/dbraw/zinc/02/46/63/172024663.db2.gz PIPLHARQWUBEOS-UHFFFAOYSA-N 1 0 263.425 3.217 10 0 CGAERO CCC[C@@H](C)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC000035221881 172064433 /nfs/dbraw/zinc/06/44/33/172064433.db2.gz UHAYBNAVCDTZLX-CKEIUWERSA-N 1 0 288.435 3.347 10 0 CGAERO Cc1nc2sccn2c1C[NH2+]Cc1cccs1 ZINC000035255554 172085143 /nfs/dbraw/zinc/08/51/43/172085143.db2.gz QGIXDSDLSQDUPY-UHFFFAOYSA-N 1 0 263.391 3.056 10 0 CGAERO FC(F)(F)[C@@H]1CCCC[C@H]1[NH2+]Cc1cccnc1 ZINC000035258150 172089403 /nfs/dbraw/zinc/08/94/03/172089403.db2.gz JGETYMNJXKWUQW-VXGBXAGGSA-N 1 0 258.287 3.292 10 0 CGAERO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccncc1 ZINC000035258119 172089452 /nfs/dbraw/zinc/08/94/52/172089452.db2.gz DFXGRPIYAOYIPV-NEPJUHHUSA-N 1 0 258.287 3.292 10 0 CGAERO C[C@H](Cn1ccnc1)[NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000035275421 172095715 /nfs/dbraw/zinc/09/57/15/172095715.db2.gz IYQBQOGECHHNQA-QXSJWSMHSA-N 1 0 261.413 3.220 10 0 CGAERO CC[NH+]1CCC(Nc2cc(Cl)ccc2F)CC1 ZINC000035284463 172102520 /nfs/dbraw/zinc/10/25/20/172102520.db2.gz AVVHXBSZDRMFMJ-UHFFFAOYSA-N 1 0 256.752 3.375 10 0 CGAERO CCC[C@@H](C)[C@@H]([NH3+])c1cc2c(cc1F)NC(=O)CC2 ZINC000035359642 172150111 /nfs/dbraw/zinc/15/01/11/172150111.db2.gz QTNWTSUQVWAFMY-RFAUZJTJSA-N 1 0 264.344 3.146 10 0 CGAERO C[NH2+][C@H](c1ccc(C)s1)[C@@H]1Cc2ccccc2O1 ZINC000035458994 172208435 /nfs/dbraw/zinc/20/84/35/172208435.db2.gz ACXFHCCRNFXWMZ-ZFWWWQNUSA-N 1 0 259.374 3.321 10 0 CGAERO CC[C@H](C)[C@@H]([NH2+]C)c1cc2c(cc1Cl)OCCO2 ZINC000035501377 172235882 /nfs/dbraw/zinc/23/58/82/172235882.db2.gz SXCULAHCEYXLNC-LKFCYVNXSA-N 1 0 269.772 3.418 10 0 CGAERO C[NH2+][C@@H](CC(F)(F)F)c1ccc(OC)c(F)c1 ZINC000035508037 172240717 /nfs/dbraw/zinc/24/07/17/172240717.db2.gz QBLADNIQPCPQEG-VIFPVBQESA-N 1 0 251.223 3.047 10 0 CGAERO CC[NH2+][C@H](c1ccc(OC)c(Cl)c1)[C@H]1CCCO1 ZINC000035538641 172244997 /nfs/dbraw/zinc/24/49/97/172244997.db2.gz OOAGMNRSFBMZQS-ZIAGYGMSSA-N 1 0 269.772 3.178 10 0 CGAERO CC[NH2+][C@@H](c1ccc(OC)c(OC)c1)C(C)(C)C ZINC000035539482 172245420 /nfs/dbraw/zinc/24/54/20/172245420.db2.gz XAGZNPHUQHKKTI-AWEZNQCLSA-N 1 0 251.370 3.401 10 0 CGAERO CC[NH2+][C@H](c1cc(OC)c(OC)cc1Cl)C1CC1 ZINC000035557601 172263125 /nfs/dbraw/zinc/26/31/25/172263125.db2.gz ZIAVTOBTEVZYLD-AWEZNQCLSA-N 1 0 269.772 3.418 10 0 CGAERO CCCCCNC(=O)[C@H](C)Oc1ccc(C)cc1[C@H](C)[NH3+] ZINC000035629325 172308766 /nfs/dbraw/zinc/30/87/66/172308766.db2.gz OQWVWLVQISQDCF-KBPBESRZSA-N 1 0 292.423 3.088 10 0 CGAERO CCC[C@@H](C)NC(=O)[C@H](C)Oc1ccc(C)cc1[C@@H](C)[NH3+] ZINC000035629284 172308849 /nfs/dbraw/zinc/30/88/49/172308849.db2.gz DICIPHYTAULZPS-MCIONIFRSA-N 1 0 292.423 3.087 10 0 CGAERO CC[NH2+][C@H](C)c1cc(C)ccc1OCCOCC ZINC000035629657 172310082 /nfs/dbraw/zinc/31/00/82/172310082.db2.gz UOADVSLZIVQVAU-CYBMUJFWSA-N 1 0 251.370 3.081 10 0 CGAERO C[NH2+][C@@H](C)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000035634862 172319489 /nfs/dbraw/zinc/31/94/89/172319489.db2.gz FPLFBBUPNXVYLV-LBPRGKRZSA-N 1 0 254.333 3.219 10 0 CGAERO CC[NH2+][C@@H](C)c1ccccc1NC(=O)c1ccoc1 ZINC000035643776 172321302 /nfs/dbraw/zinc/32/13/02/172321302.db2.gz KQGIDAQELGTQFO-NSHDSACASA-N 1 0 258.321 3.202 10 0 CGAERO CCC[NH2+][C@H](C)c1ccc(NC(=O)OCC)cc1 ZINC000035645981 172322982 /nfs/dbraw/zinc/32/29/82/172322982.db2.gz LJLDHFDMKRGTSH-LLVKDONJSA-N 1 0 250.342 3.316 10 0 CGAERO CC(C)[NH2+][C@@H]1CCOc2c(F)cc(Br)cc21 ZINC000035653868 172330714 /nfs/dbraw/zinc/33/07/14/172330714.db2.gz XFSQIUTVTNDEFE-LLVKDONJSA-N 1 0 288.160 3.410 10 0 CGAERO Fc1cc(Br)cc2c1OCC[C@@H]2[NH2+]C1CC1 ZINC000035653866 172330823 /nfs/dbraw/zinc/33/08/23/172330823.db2.gz HBQQGXLXGHUZAM-NSHDSACASA-N 1 0 286.144 3.164 10 0 CGAERO Fc1cc(Br)c2c(c1)[C@@H]([NH2+]C1CC1)CCO2 ZINC000035655162 172331764 /nfs/dbraw/zinc/33/17/64/172331764.db2.gz LXOUBBNZVYOXBQ-NSHDSACASA-N 1 0 286.144 3.164 10 0 CGAERO [NH3+]Cc1ccc(OCCSc2cccs2)cc1 ZINC000035722143 172377721 /nfs/dbraw/zinc/37/77/21/172377721.db2.gz HMVZERZPTMPRCJ-UHFFFAOYSA-N 1 0 265.403 3.378 10 0 CGAERO COc1ccc([C@@H]([NH3+])c2ccccc2OC)c(Cl)c1 ZINC000036767573 172685424 /nfs/dbraw/zinc/68/54/24/172685424.db2.gz XBMSHVHUVNJEBB-OAHLLOKOSA-N 1 0 277.751 3.405 10 0 CGAERO Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2n2ccnc2)c1 ZINC000037106492 172959456 /nfs/dbraw/zinc/95/94/56/172959456.db2.gz ZALURJQSRNLGSB-HOTGVXAUSA-N 1 0 255.365 3.075 10 0 CGAERO Cc1nc([C@@H](C)N[C@H](CC(C)C)C[NH+](C)C)c(C)s1 ZINC000037166542 173000343 /nfs/dbraw/zinc/00/03/43/173000343.db2.gz LHPPYXBGNCKDGT-BXUZGUMPSA-N 1 0 283.485 3.387 10 0 CGAERO CC[NH+]1CCC([C@@H](C)Nc2ccc(OC)cc2)CC1 ZINC000037210420 173032776 /nfs/dbraw/zinc/03/27/76/173032776.db2.gz UMLBVXWHZFSHOG-CYBMUJFWSA-N 1 0 262.397 3.228 10 0 CGAERO CCCN(CCC)[C@@H](C[NH3+])c1cc(F)ccc1F ZINC000037233523 173052498 /nfs/dbraw/zinc/05/24/98/173052498.db2.gz XUBQGYHYOXTKMM-AWEZNQCLSA-N 1 0 256.340 3.087 10 0 CGAERO CCC[NH2+]Cc1cc(F)ccc1N(C)[C@@H]1CCSC1 ZINC000037236794 173053946 /nfs/dbraw/zinc/05/39/46/173053946.db2.gz HIXIAMORZFLOJQ-CQSZACIVSA-N 1 0 282.428 3.267 10 0 CGAERO CCC[N@H+](Cc1cc(C(C)=O)ccc1OC)C1CC1 ZINC000037315187 173116734 /nfs/dbraw/zinc/11/67/34/173116734.db2.gz ZLIWQOXXZAYNFC-UHFFFAOYSA-N 1 0 261.365 3.272 10 0 CGAERO CCCCc1ccc(NC(=O)C[NH2+][C@H](C)CC)cc1 ZINC000037386428 173169390 /nfs/dbraw/zinc/16/93/90/173169390.db2.gz CNZNQHVVMGOLSX-CYBMUJFWSA-N 1 0 262.397 3.356 10 0 CGAERO O=C(CC[NH2+]C1CC1)Nc1ccc(Cl)cc1Cl ZINC000037396180 173176894 /nfs/dbraw/zinc/17/68/94/173176894.db2.gz XYSWCVWYRNOVNC-UHFFFAOYSA-N 1 0 273.163 3.074 10 0 CGAERO CC(C)[C@@H]([NH3+])c1nnc2c(Cl)cc(C(F)(F)F)cn21 ZINC000037399570 173176961 /nfs/dbraw/zinc/17/69/61/173176961.db2.gz APXKBUFJGFNRLA-MRVPVSSYSA-N 1 0 292.692 3.057 10 0 CGAERO COC(=O)CCC[NH2+]Cc1cccc(Cl)c1Cl ZINC000037416000 173193054 /nfs/dbraw/zinc/19/30/54/173193054.db2.gz PFVBOHCEXLCCMD-UHFFFAOYSA-N 1 0 276.163 3.036 10 0 CGAERO CCCC[C@H]([NH3+])c1nc2cc(Cl)ccc2n1C ZINC000037440212 173210438 /nfs/dbraw/zinc/21/04/38/173210438.db2.gz JTZWIDVHOOEJPD-JTQLQIEISA-N 1 0 251.761 3.417 10 0 CGAERO Cn1c2ccc(Cl)cc2nc1[C@@H]([NH3+])Cc1ccccc1 ZINC000037440253 173210563 /nfs/dbraw/zinc/21/05/63/173210563.db2.gz OQXZTLTVSSJDCT-ZDUSSCGKSA-N 1 0 285.778 3.469 10 0 CGAERO [NH3+][C@@H](Cc1cccc(Br)c1)c1cccnc1 ZINC000037466386 173226877 /nfs/dbraw/zinc/22/68/77/173226877.db2.gz HXNVKYUFKTZJFJ-ZDUSSCGKSA-N 1 0 277.165 3.087 10 0 CGAERO CC[NH2+][C@H](CC)Cc1cccc(Br)c1 ZINC000037468626 173227484 /nfs/dbraw/zinc/22/74/84/173227484.db2.gz KASGBRUMODWMGV-GFCCVEGCSA-N 1 0 256.187 3.380 10 0 CGAERO [NH3+][C@H](CCOc1ccccc1)Cc1ccc(F)cc1 ZINC000037533065 173254080 /nfs/dbraw/zinc/25/40/80/173254080.db2.gz JXTJILRFVAJDJA-OAHLLOKOSA-N 1 0 259.324 3.165 10 0 CGAERO C[NH2+][C@@H](Cc1ccccc1Br)c1ccccn1 ZINC000037534455 173254435 /nfs/dbraw/zinc/25/44/35/173254435.db2.gz FRHANMLUJSGGKP-AWEZNQCLSA-N 1 0 291.192 3.347 10 0 CGAERO COc1ccc(Cl)cc1NC(=O)CCC[NH2+]C(C)C ZINC000037632498 173581879 /nfs/dbraw/zinc/58/18/79/173581879.db2.gz GZYURCORKIOLFJ-UHFFFAOYSA-N 1 0 284.787 3.065 10 0 CGAERO CCOC(=O)CCC[C@H]([NH3+])c1ccc(OC(C)C)cc1 ZINC000037636607 173584752 /nfs/dbraw/zinc/58/47/52/173584752.db2.gz GIGIWLVSPDMGKV-HNNXBMFYSA-N 1 0 279.380 3.207 10 0 CGAERO C[C@H](C[NH2+][C@@H]1CSCc2ccccc21)N1CCCCC1 ZINC000038029159 174019759 /nfs/dbraw/zinc/01/97/59/174019759.db2.gz OTKNTKXGFJDERZ-RHSMWYFYSA-N 1 0 290.476 3.439 10 0 CGAERO C[C@@H](c1cccs1)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032465 174028495 /nfs/dbraw/zinc/02/84/95/174028495.db2.gz HRMNWTWVMPNJJQ-NSHDSACASA-N 1 0 258.390 3.450 10 0 CGAERO CCCOc1ccc([C@@H](C)[NH2+]Cc2ccnc(C)n2)cc1 ZINC000038037334 174037389 /nfs/dbraw/zinc/03/73/89/174037389.db2.gz NQBGNNHFAFHJSN-CYBMUJFWSA-N 1 0 285.391 3.425 10 0 CGAERO CC(C)[C@@H]([NH2+]C[C@H]1CCCOC1)c1cccs1 ZINC000038044923 174052522 /nfs/dbraw/zinc/05/25/22/174052522.db2.gz COJKCIFNILBRSO-TZMCWYRMSA-N 1 0 253.411 3.461 10 0 CGAERO CC(C)[NH2+]Cc1cc(F)ccc1-n1cc(Cl)cn1 ZINC000038053876 174065290 /nfs/dbraw/zinc/06/52/90/174065290.db2.gz IJJPRHYFWMYZPG-UHFFFAOYSA-N 1 0 267.735 3.163 10 0 CGAERO CC[NH2+][C@H](c1ccco1)c1ccc2c(c1)CCCO2 ZINC000038058092 174068633 /nfs/dbraw/zinc/06/86/33/174068633.db2.gz PRVJYUIOOVQZFR-INIZCTEOSA-N 1 0 257.333 3.304 10 0 CGAERO C[C@H](Cc1ccco1)[NH2+]C[C@@H](O)c1ccccc1Cl ZINC000038092544 174106310 /nfs/dbraw/zinc/10/63/10/174106310.db2.gz KRPLLWAYFLIPBT-IAQYHMDHSA-N 1 0 279.767 3.187 10 0 CGAERO [NH3+]C[C@@H](c1cccc(Br)c1)N1CCCCCC1 ZINC000038808959 174156716 /nfs/dbraw/zinc/15/67/16/174156716.db2.gz LPKCXQRCNIOQHW-AWEZNQCLSA-N 1 0 297.240 3.325 10 0 CGAERO CCC[NH+](CCC)[C@H](CN)c1cccc(OCC)c1 ZINC000038970647 174160742 /nfs/dbraw/zinc/16/07/42/174160742.db2.gz DGIWKIKJILCKAU-MRXNPFEDSA-N 1 0 264.413 3.207 10 0 CGAERO CC(C)Oc1ccc([C@H](C[NH3+])N2CCC(C)CC2)cc1 ZINC000038983681 174160991 /nfs/dbraw/zinc/16/09/91/174160991.db2.gz GHVISBITGUBFAG-KRWDZBQOSA-N 1 0 276.424 3.206 10 0 CGAERO CCC[NH+](CCC)[C@@H](CN)c1ccc(Cl)cc1 ZINC000039142634 174164562 /nfs/dbraw/zinc/16/45/62/174164562.db2.gz SXLPEGMZRBQQRP-AWEZNQCLSA-N 1 0 254.805 3.462 10 0 CGAERO CCC[NH+](CCC)[C@H](CN)c1ccc(Cl)cc1 ZINC000039142636 174164605 /nfs/dbraw/zinc/16/46/05/174164605.db2.gz SXLPEGMZRBQQRP-CQSZACIVSA-N 1 0 254.805 3.462 10 0 CGAERO COc1ccccc1-c1nc(C[NH2+]C2CC2)cs1 ZINC000040419320 174256677 /nfs/dbraw/zinc/25/66/77/174256677.db2.gz VBUZKHQNSUAKPF-UHFFFAOYSA-N 1 0 260.362 3.071 10 0 CGAERO [NH3+]Cc1cnc(-c2ccccc2C(F)(F)F)s1 ZINC000040421791 174257806 /nfs/dbraw/zinc/25/78/06/174257806.db2.gz NSKFKQBFRLLAAG-UHFFFAOYSA-N 1 0 258.268 3.288 10 0 CGAERO CC[NH2+]Cc1cnc(-c2cccc(OCC)c2)s1 ZINC000040996632 174446332 /nfs/dbraw/zinc/44/63/32/174446332.db2.gz SRUANEGVSUTYNS-UHFFFAOYSA-N 1 0 262.378 3.318 10 0 CGAERO CCC[NH2+]Cc1cnc(-c2cc(OC)ccc2OC)s1 ZINC000040997060 174446749 /nfs/dbraw/zinc/44/67/49/174446749.db2.gz NWPIPCWPWYKPAZ-UHFFFAOYSA-N 1 0 292.404 3.327 10 0 CGAERO FC(F)(F)c1ccccc1NC[C@@H]1CCC[NH2+]C1 ZINC000041329359 174525785 /nfs/dbraw/zinc/52/57/85/174525785.db2.gz NHDOWLULQFGROE-SNVBAGLBSA-N 1 0 258.287 3.117 10 0 CGAERO NC(=[NH2+])CCN(Cc1c(Cl)cccc1Cl)C1CC1 ZINC000042547988 174788237 /nfs/dbraw/zinc/78/82/37/174788237.db2.gz HHSPYQOMCKBWFG-UHFFFAOYSA-N 1 0 286.206 3.284 10 0 CGAERO C[C@@H]([NH3+])c1ccccc1N(CC(F)(F)F)C1CC1 ZINC000042769462 174870686 /nfs/dbraw/zinc/87/06/86/174870686.db2.gz WLUCBPJFJQYQGO-SECBINFHSA-N 1 0 258.287 3.237 10 0 CGAERO COc1cc(C[NH2+]C[C@@H]2CCCC[C@@H]2C)ccc1O ZINC000042829235 174889773 /nfs/dbraw/zinc/88/97/73/174889773.db2.gz XPTIENQETXLSQZ-JSGCOSHPSA-N 1 0 263.381 3.317 10 0 CGAERO C[C@@H]1CCCC[C@H]1C[NH2+]CC1(O)CCCCCC1 ZINC000042861327 174893430 /nfs/dbraw/zinc/89/34/30/174893430.db2.gz DLCNYPQKIULNPZ-CABCVRRESA-N 1 0 253.430 3.488 10 0 CGAERO C[C@H]([NH3+])[C@H](OCc1cccs1)c1ccc(F)cc1 ZINC000042942740 174918410 /nfs/dbraw/zinc/91/84/10/174918410.db2.gz SJHHQYIKZXSVCE-HZMBPMFUSA-N 1 0 265.353 3.492 10 0 CGAERO CC[C@H]([NH3+])[C@H](Sc1ncccn1)c1ccc(C)cc1 ZINC000042943368 174918800 /nfs/dbraw/zinc/91/88/00/174918800.db2.gz GWTVHOCCBYCBSW-UONOGXRCSA-N 1 0 273.405 3.356 10 0 CGAERO CCCCOCCO[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000042949205 174923322 /nfs/dbraw/zinc/92/33/22/174923322.db2.gz KBQHROOSHRQYFM-CQSZACIVSA-N 1 0 271.788 3.173 10 0 CGAERO Cc1nn([C@H](c2cccc(Cl)c2)[C@H](C)[NH3+])c(C)c1C ZINC000043016868 174943483 /nfs/dbraw/zinc/94/34/83/174943483.db2.gz TUXDRXSIUISJCM-BONVTDFDSA-N 1 0 277.799 3.398 10 0 CGAERO COC(=O)CCS[C@@H](c1cccc(Cl)c1)[C@H](C)[NH3+] ZINC000043019517 174944370 /nfs/dbraw/zinc/94/43/70/174944370.db2.gz ZOIFRLZORIRDAN-TVQRCGJNSA-N 1 0 287.812 3.025 10 0 CGAERO COc1cccc([C@H](Oc2ccccc2)[C@H](C)[NH3+])c1 ZINC000043029577 174948307 /nfs/dbraw/zinc/94/83/07/174948307.db2.gz RSCYQCYAUZMNOT-BLLLJJGKSA-N 1 0 257.333 3.163 10 0 CGAERO CC[C@@H]([NH3+])[C@@H](OCCOC(C)C)c1ccccc1F ZINC000043047642 174957428 /nfs/dbraw/zinc/95/74/28/174957428.db2.gz MZYBBZSZXIVFJH-CABCVRRESA-N 1 0 269.360 3.046 10 0 CGAERO CCOC(=O)CS[C@H](c1ccccc1Cl)[C@@H](C)[NH3+] ZINC000043089931 174964019 /nfs/dbraw/zinc/96/40/19/174964019.db2.gz HRDLFXWBHFHHKH-RNCFNFMXSA-N 1 0 287.812 3.025 10 0 CGAERO COc1ccccc1[C@@H](SCC(C)C)[C@@H](C)[NH3+] ZINC000043101452 174967441 /nfs/dbraw/zinc/96/74/41/174967441.db2.gz QRNDQSSPAFJRLT-RISCZKNCSA-N 1 0 253.411 3.473 10 0 CGAERO CC[C@@H]([NH3+])[C@@H](OCCc1ccccn1)c1cccs1 ZINC000043111086 174974528 /nfs/dbraw/zinc/97/45/28/174974528.db2.gz SEMDCXPIBKZLJE-UKRRQHHQSA-N 1 0 276.405 3.181 10 0 CGAERO Cc1cc(Nc2cc(N)cc[nH+]2)ccc1Br ZINC000043568609 175067472 /nfs/dbraw/zinc/06/74/72/175067472.db2.gz NHJJDVUFKSOPPA-UHFFFAOYSA-N 1 0 278.153 3.478 10 0 CGAERO CCC(CC)[NH2+]Cc1ccc(O)c(Br)c1 ZINC000057901598 175603306 /nfs/dbraw/zinc/60/33/06/175603306.db2.gz WLMDWFQACQDWFT-UHFFFAOYSA-N 1 0 272.186 3.433 10 0 CGAERO O=C(c1ccc(Cc2ccccc2)cc1)[C@H]1CCC[NH2+]C1 ZINC000070522212 175967760 /nfs/dbraw/zinc/96/77/60/175967760.db2.gz GRRFOGWUULQNLE-SFHVURJKSA-N 1 0 279.383 3.460 10 0 CGAERO Brc1ccc2c(c1)[C@H](C1CC1)[NH2+]CC2 ZINC000070821318 176007640 /nfs/dbraw/zinc/00/76/40/176007640.db2.gz MSOQMYJCFOYLEY-LBPRGKRZSA-N 1 0 252.155 3.046 10 0 CGAERO Cc1ccc([C@@H](C[NH3+])Oc2cc(F)ccc2F)s1 ZINC000071167172 176049401 /nfs/dbraw/zinc/04/94/01/176049401.db2.gz HJLBOEQHQYRLGI-GFCCVEGCSA-N 1 0 269.316 3.414 10 0 CGAERO C[NH2+][C@H](C)c1cnn(Cc2ccccc2Cl)c1C ZINC000071194032 176075999 /nfs/dbraw/zinc/07/59/99/176075999.db2.gz WGVGGJJDYYEGDE-SNVBAGLBSA-N 1 0 263.772 3.174 10 0 CGAERO CCc1ccccc1OCc1ccc(F)cc1C[NH3+] ZINC000071264268 176097195 /nfs/dbraw/zinc/09/71/95/176097195.db2.gz WXZYHZQOXLXXIO-UHFFFAOYSA-N 1 0 259.324 3.426 10 0 CGAERO COc1ccc([C@H](CC[NH3+])C(C)C)c(OC)c1C ZINC000071573703 176200248 /nfs/dbraw/zinc/20/02/48/176200248.db2.gz UGESODZXEPTIHI-GFCCVEGCSA-N 1 0 251.370 3.101 10 0 CGAERO C[NH2+]CCC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000071576591 176204225 /nfs/dbraw/zinc/20/42/25/176204225.db2.gz VOKYQLXNPMMOJU-UHFFFAOYSA-N 1 0 255.317 3.271 10 0 CGAERO CC[NH2+][C@@H](CO)c1ccc(Oc2ccccc2)cc1 ZINC000071582327 176207353 /nfs/dbraw/zinc/20/73/53/176207353.db2.gz BRCXPJDASAMVBY-INIZCTEOSA-N 1 0 257.333 3.122 10 0 CGAERO CC[NH2+][C@H](C)C(=O)c1ccc(OC(C)C)c(Cl)c1 ZINC000071601039 176227656 /nfs/dbraw/zinc/22/76/56/176227656.db2.gz WMKVRMFPEHVZLL-SNVBAGLBSA-N 1 0 269.772 3.308 10 0 CGAERO COc1ccc2c(c1)C1(CC1)C[NH2+][C@H]2COc1ccccc1 ZINC000071650860 176241285 /nfs/dbraw/zinc/24/12/85/176241285.db2.gz VNZPFPAUJGFNAN-SFHVURJKSA-N 1 0 295.382 3.450 10 0 CGAERO OCCCC[N@@H+]1CCC[C@@H](CCc2ccccc2F)C1 ZINC000072162409 176330001 /nfs/dbraw/zinc/33/00/01/176330001.db2.gz PQLDVNRUYMCKIV-HNNXBMFYSA-N 1 0 279.399 3.243 10 0 CGAERO COc1ccccc1CC[C@@H](C[NH3+])c1ccccc1 ZINC000076660183 177048289 /nfs/dbraw/zinc/04/82/89/177048289.db2.gz BOVGCRWZFIDTRM-INIZCTEOSA-N 1 0 255.361 3.370 10 0 CGAERO CC(C)c1ccccc1OC[C@H](C[NH3+])c1ccc[nH]1 ZINC000076667622 177051374 /nfs/dbraw/zinc/05/13/74/177051374.db2.gz RWVFPHAKUYRTTK-ZDUSSCGKSA-N 1 0 258.365 3.259 10 0 CGAERO CC[C@H](CC[NH3+])C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000076675606 177056088 /nfs/dbraw/zinc/05/60/88/177056088.db2.gz JCNVVUIVRPVXAC-GFCCVEGCSA-N 1 0 262.397 3.298 10 0 CGAERO CCc1cccc(C)c1NC(=O)C[C@@H](C[NH3+])C(C)C ZINC000076675729 177056091 /nfs/dbraw/zinc/05/60/91/177056091.db2.gz GQTWDRGLBNCNOQ-AWEZNQCLSA-N 1 0 262.397 3.117 10 0 CGAERO COc1ccc([C@@H](C[NH3+])CCc2ccco2)cc1F ZINC000076677283 177056404 /nfs/dbraw/zinc/05/64/04/177056404.db2.gz SHRGFLJDCKKPAC-GFCCVEGCSA-N 1 0 263.312 3.102 10 0 CGAERO CC(C)[C@@H](C[NH3+])CCC(=O)Nc1ccc(Cl)cc1 ZINC000076706055 177065997 /nfs/dbraw/zinc/06/59/97/177065997.db2.gz HBRUGNILUWEOGL-LLVKDONJSA-N 1 0 268.788 3.290 10 0 CGAERO CCC[NH2+]CCc1csc(-c2cccc(F)c2)n1 ZINC000076783404 177091383 /nfs/dbraw/zinc/09/13/83/177091383.db2.gz IXWQVPBZZZGLCS-UHFFFAOYSA-N 1 0 264.369 3.491 10 0 CGAERO C[NH2+][C@@H](C)c1csc(Cc2ccc(OC)cc2)n1 ZINC000076784735 177092486 /nfs/dbraw/zinc/09/24/86/177092486.db2.gz BQEGVWNBRAQADC-JTQLQIEISA-N 1 0 262.378 3.023 10 0 CGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C[C@@H](C)c1ccccc1 ZINC000077729813 177296876 /nfs/dbraw/zinc/29/68/76/177296876.db2.gz KYNWDNMHUWNMBP-NVXWUHKLSA-N 1 0 290.451 3.273 10 0 CGAERO COc1ccc(-c2cc(C[NH3+])ccc2C)cc1OC ZINC000049846664 416475482 /nfs/dbraw/zinc/47/54/82/416475482.db2.gz OXRJOXYFHJGEGH-UHFFFAOYSA-N 1 0 257.333 3.138 10 0 CGAERO C[C@@H]([NH2+]C1CSC1)c1ccc(OC(F)(F)F)cc1 ZINC000679624641 543651010 /nfs/dbraw/zinc/65/10/10/543651010.db2.gz FXVFHFFMQBKIPW-MRVPVSSYSA-N 1 0 277.311 3.351 10 0 CGAERO C[C@H](Cc1cccs1)[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000684963367 544046762 /nfs/dbraw/zinc/04/67/62/544046762.db2.gz RTHWIIFEHXIEHI-JHJVBQTASA-N 1 0 267.438 3.472 10 0 CGAERO CC(F)(F)CCCC(=O)C[NH2+]Cc1ccccc1 ZINC000685961350 544111439 /nfs/dbraw/zinc/11/14/39/544111439.db2.gz GYQKVGDZGXSWHO-UHFFFAOYSA-N 1 0 255.308 3.171 10 0 CGAERO COCc1ccccc1CC[NH2+]Cc1ccccc1 ZINC000685961092 544111538 /nfs/dbraw/zinc/11/15/38/544111538.db2.gz OGOYSSVAUKYENT-UHFFFAOYSA-N 1 0 255.361 3.165 10 0 CGAERO COC1(OC)CC[C@@H](C2CCCCC2)C[C@@H]1CC[NH3+] ZINC000725261683 544113817 /nfs/dbraw/zinc/11/38/17/544113817.db2.gz BTQDNHCRKRZWQY-CABCVRRESA-N 1 0 269.429 3.321 10 0 CGAERO CC[C@H](C)C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]1 ZINC000725261914 544113864 /nfs/dbraw/zinc/11/38/64/544113864.db2.gz NEVZMKJXWWYOGN-XDQVBPFNSA-N 1 0 284.444 3.456 10 0 CGAERO O[C@@H]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2c2nccs2)C1 ZINC000659867631 419020239 /nfs/dbraw/zinc/02/02/39/419020239.db2.gz IFEIMAOILJEKHU-BFHYXJOUSA-N 1 0 280.437 3.221 10 0 CGAERO COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)cc1OC ZINC000660187346 419096182 /nfs/dbraw/zinc/09/61/82/419096182.db2.gz BBTPFNVBGVHDPT-RJZRQDKASA-N 1 0 275.392 3.401 10 0 CGAERO CC[C@@H]1C[C@@H]([NH2+][C@@H]2CC(C)(C)Oc3ccccc32)CO1 ZINC000657399139 419270064 /nfs/dbraw/zinc/27/00/64/419270064.db2.gz ONGHCHCAKWBHFR-UMVBOHGHSA-N 1 0 275.392 3.446 10 0 CGAERO CN1C[C@H](C[NH2+][C@@H]2CCC[C@@H](C(C)(C)C)CC2)CC1=O ZINC000657696427 419329592 /nfs/dbraw/zinc/32/95/92/419329592.db2.gz UNEKDBULTMLPBZ-RRFJBIMHSA-N 1 0 280.456 3.049 10 0 CGAERO CC(C)(C)C1CCC(C[NH2+]C2CC(CO)C2)CC1 ZINC000657811680 419363551 /nfs/dbraw/zinc/36/35/51/419363551.db2.gz ZOZDQPLHZFKQEA-UHFFFAOYSA-N 1 0 253.430 3.199 10 0 CGAERO C[C@H]([NH2+]CC[C@@H]1CCCO1)c1cncc(Br)c1 ZINC000657834772 419379558 /nfs/dbraw/zinc/37/95/58/419379558.db2.gz VHLJIYGNKWJGAE-GWCFXTLKSA-N 1 0 299.212 3.064 10 0 CGAERO CCn1nc(C)c([C@@H](C)[NH2+]CCCOC(C)(C)C)c1C ZINC000658185688 419646354 /nfs/dbraw/zinc/64/63/54/419646354.db2.gz OAOOAMGTYQQQMY-GFCCVEGCSA-N 1 0 281.444 3.376 10 0 CGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H](C)c1cccs1 ZINC000193187196 287605150 /nfs/dbraw/zinc/60/51/50/287605150.db2.gz VHAJUVODWQYYRN-QWHCGFSZSA-N 1 0 297.468 3.085 10 0 CGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2CO)CC(C)(C)C1 ZINC000223850787 287631262 /nfs/dbraw/zinc/63/12/62/287631262.db2.gz KRTJIRKRWSJXAB-APIJFGDWSA-N 1 0 253.430 3.342 10 0 CGAERO CCC[C@@H](C(=O)N[C@H]1CCc2c1cccc2Cl)[NH+](C)C ZINC000179606065 260056929 /nfs/dbraw/zinc/05/69/29/260056929.db2.gz GXRIDVSCCQBSKD-GJZGRUSLSA-N 1 0 294.826 3.174 10 0 CGAERO C[C@H](CC[NH2+]C(C1CC1)C1CC1)NC(=O)OC(C)(C)C ZINC000180522264 260105006 /nfs/dbraw/zinc/10/50/06/260105006.db2.gz VWSQOBJZHCNVRC-LLVKDONJSA-N 1 0 282.428 3.068 10 0 CGAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc(C)c(C)cc1Cl ZINC000180534086 260105577 /nfs/dbraw/zinc/10/55/77/260105577.db2.gz NZXDAOBUBBABPL-ZDUSSCGKSA-N 1 0 296.842 3.417 10 0 CGAERO Cn1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)n1 ZINC000230897731 287641285 /nfs/dbraw/zinc/64/12/85/287641285.db2.gz GCDXMRNCMAUFID-LSDHHAIUSA-N 1 0 263.429 3.157 10 0 CGAERO COCCOCCC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000034676165 270027618 /nfs/dbraw/zinc/02/76/18/270027618.db2.gz BBCMVIWVKRCPBQ-OWCLPIDISA-N 1 0 271.445 3.090 10 0 CGAERO COc1ccccc1NC(=O)C[NH2+][C@H](C)c1cccs1 ZINC000035133070 270027626 /nfs/dbraw/zinc/02/76/26/270027626.db2.gz JPSHDOSOOOJYHJ-LLVKDONJSA-N 1 0 290.388 3.046 10 0 CGAERO CC(C)[C@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000042269380 270032367 /nfs/dbraw/zinc/03/23/67/270032367.db2.gz IPSPAPGKTCRKQG-UWVGGRQHSA-N 1 0 288.844 3.213 10 0 CGAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000184089777 270057055 /nfs/dbraw/zinc/05/70/55/270057055.db2.gz WAWDTGKVLMEKDP-HRCADAONSA-N 1 0 294.483 3.249 10 0 CGAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@H](C)CC)cc1 ZINC000216500904 270085107 /nfs/dbraw/zinc/08/51/07/270085107.db2.gz DCHDMVAIQODULS-RDBSUJKOSA-N 1 0 276.424 3.203 10 0 CGAERO CCCC1CCC([NH2+][C@@H]2CCCC[C@H]2CO)CC1 ZINC000219007324 270085760 /nfs/dbraw/zinc/08/57/60/270085760.db2.gz QNOFUBCKODYGNX-BHDPWAOGSA-N 1 0 253.430 3.486 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000223147261 270086108 /nfs/dbraw/zinc/08/61/08/270086108.db2.gz UFMYNQVAOJYSCY-RHSMWYFYSA-N 1 0 280.431 3.323 10 0 CGAERO CC1(C)CN(c2ccnc3cc(Cl)ccc32)CC[C@H]1[NH3+] ZINC000261696926 273585308 /nfs/dbraw/zinc/58/53/08/273585308.db2.gz IDVLFZHCAHEBMK-OAHLLOKOSA-N 1 0 289.810 3.452 10 0 CGAERO C[C@@H]1C[C@H](CC(=O)N2CC[C@@H]([NH+](C)C)C2)CC(C)(C)C1 ZINC000246042174 287690630 /nfs/dbraw/zinc/69/06/30/287690630.db2.gz YBPBMDAMHMMYJW-RBSFLKMASA-N 1 0 280.456 3.001 10 0 CGAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)C12CCOCC2 ZINC000249017191 287796888 /nfs/dbraw/zinc/79/68/88/287796888.db2.gz PVQAQAAVVYADNV-JZAWBGDQSA-N 1 0 295.467 3.375 10 0 CGAERO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H](C)C2)C12CCOCC2 ZINC000249026645 287797289 /nfs/dbraw/zinc/79/72/89/287797289.db2.gz RRQFEGBQRFDNCL-LTIDMASMSA-N 1 0 295.467 3.377 10 0 CGAERO COc1ccc([C@H]([NH2+][C@H]2CCCC[C@H]2O)C2CC2)cc1 ZINC000249354398 287812060 /nfs/dbraw/zinc/81/20/60/287812060.db2.gz XZVPBUBQERPMNQ-GVDBMIGSSA-N 1 0 275.392 3.039 10 0 CGAERO CC1(C)C[C@H]([NH2+][C@H]2C[C@H]2c2ccccc2)C(C)(C)O1 ZINC000251141750 287832108 /nfs/dbraw/zinc/83/21/08/287832108.db2.gz JEOVAMFPUNDEAX-KKUMJFAQSA-N 1 0 259.393 3.478 10 0 CGAERO CC1(C)C[C@H]([NH2+][C@@H]2CCCOCC2)c2ccccc2O1 ZINC000313604574 275868894 /nfs/dbraw/zinc/86/88/94/275868894.db2.gz WGHMYQGQFNHWSH-HIFRSBDPSA-N 1 0 275.392 3.448 10 0 CGAERO CCC[C@H]1[C@@H](C)CCC[N@@H+]1Cc1c(C)nn(C)c1OC ZINC000093740824 276050845 /nfs/dbraw/zinc/05/08/45/276050845.db2.gz IDPXPSPUIQPYEX-WFASDCNBSA-N 1 0 279.428 3.138 10 0 CGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cc(C)cc(C)c1 ZINC000176259085 276180298 /nfs/dbraw/zinc/18/02/98/276180298.db2.gz PZERRGQAAADAQT-INIZCTEOSA-N 1 0 289.423 3.251 10 0 CGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc2ccc(C)cc2[nH]1 ZINC000177039306 276181575 /nfs/dbraw/zinc/18/15/75/276181575.db2.gz OXUWVIQJOSUUAB-HNNXBMFYSA-N 1 0 299.418 3.033 10 0 CGAERO CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CCCn2nc(CC)nc21 ZINC000247062797 276284379 /nfs/dbraw/zinc/28/43/79/276284379.db2.gz MPLVBTUFWJZASH-IHRRRGAJSA-N 1 0 278.444 3.480 10 0 CGAERO CCOC1CC([NH2+][C@H]2CC(C)(C)Oc3ccccc32)C1 ZINC000224415781 276311028 /nfs/dbraw/zinc/31/10/28/276311028.db2.gz WLGAXPHAIXIFBF-PIMMBPRGSA-N 1 0 275.392 3.446 10 0 CGAERO CCN1CCC[C@H]([NH2+][C@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000250323652 276375970 /nfs/dbraw/zinc/37/59/70/276375970.db2.gz NMUBGZXPAUSHOK-PMPSAXMXSA-N 1 0 250.430 3.029 10 0 CGAERO CC[C@H](COC)[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000128969603 287890024 /nfs/dbraw/zinc/89/00/24/287890024.db2.gz OGBFSIFTFOXZRE-TZMCWYRMSA-N 1 0 263.381 3.303 10 0 CGAERO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000181757928 276461536 /nfs/dbraw/zinc/46/15/36/276461536.db2.gz ZZVKZDUJORAFPF-KFWWJZLASA-N 1 0 290.455 3.275 10 0 CGAERO CCO[C@@H]1C[C@@H]([NH2+][C@H]2COc3ccccc32)C12CCC2 ZINC000246809374 276475709 /nfs/dbraw/zinc/47/57/09/276475709.db2.gz ISJAMFDCRWMKCT-NUEKZKHPSA-N 1 0 273.376 3.057 10 0 CGAERO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@H]1CCSC1 ZINC000180991442 276712275 /nfs/dbraw/zinc/71/22/75/276712275.db2.gz WKEROKBIUBJFGJ-NEPJUHHUSA-N 1 0 275.421 3.212 10 0 CGAERO CC(C)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2cccs2)C1 ZINC000247889606 277640106 /nfs/dbraw/zinc/64/01/06/277640106.db2.gz FBHHJDGZGPDZGP-FRRDWIJNSA-N 1 0 252.427 3.127 10 0 CGAERO C[C@H](N[C@@H]1CCC[NH2+][C@@H]1C)c1ccccc1OC(F)F ZINC000396581087 288014266 /nfs/dbraw/zinc/01/42/66/288014266.db2.gz PGUIDROWRALLTP-DMDPSCGWSA-N 1 0 284.350 3.079 10 0 CGAERO C[C@H](N[C@@H]1CCC[NH2+][C@H]1C)c1ccc(Br)cc1 ZINC000396620708 288014661 /nfs/dbraw/zinc/01/46/61/288014661.db2.gz IUAPBOZMMNQSCW-COPLHBTASA-N 1 0 297.240 3.240 10 0 CGAERO C[C@H](N[C@H]1CCC[NH2+][C@H]1C)c1ccc(Br)cc1 ZINC000396620712 288014669 /nfs/dbraw/zinc/01/46/69/288014669.db2.gz IUAPBOZMMNQSCW-MJVIPROJSA-N 1 0 297.240 3.240 10 0 CGAERO C[C@H](N[C@H]1CCC[NH2+][C@H]1C)c1ccc(Cl)s1 ZINC000396708576 288015659 /nfs/dbraw/zinc/01/56/59/288015659.db2.gz KXHPBTZKMDGSFX-GUBZILKMSA-N 1 0 258.818 3.193 10 0 CGAERO Cc1ccc(C[NH2+]C2CC(c3cccc(Cl)c3)C2)nn1 ZINC000396572605 288014084 /nfs/dbraw/zinc/01/40/84/288014084.db2.gz ONRQTGUBXMYKJI-UHFFFAOYSA-N 1 0 287.794 3.474 10 0 CGAERO CCCC[C@H](CC)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398852854 288048615 /nfs/dbraw/zinc/04/86/15/288048615.db2.gz NDQWBWXUHUFXMX-YHUYYLMFSA-N 1 0 253.430 3.296 10 0 CGAERO CCC1CCC([NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085636714 278652525 /nfs/dbraw/zinc/65/25/25/278652525.db2.gz MWXWAOAMGQKUIJ-HGSUQPQSSA-N 1 0 251.414 3.358 10 0 CGAERO O[C@@H]1CCCC[C@@H]1C[NH2+]CCc1cccc(Cl)c1 ZINC000459445560 288093103 /nfs/dbraw/zinc/09/31/03/288093103.db2.gz MYJBAFKRWNDVCA-UKRRQHHQSA-N 1 0 267.800 3.023 10 0 CGAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C)C12CCOCC2 ZINC000249068970 279880846 /nfs/dbraw/zinc/88/08/46/279880846.db2.gz ZWWORSCOTMRQKO-YHUYYLMFSA-N 1 0 281.440 3.129 10 0 CGAERO C[C@](O)(C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)C1CCCCC1 ZINC000253350868 280144227 /nfs/dbraw/zinc/14/42/27/280144227.db2.gz CQQXQZPDAHBQAP-KONPQCLYSA-N 1 0 295.467 3.111 10 0 CGAERO CC[C@H](C)[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400323718 280750371 /nfs/dbraw/zinc/75/03/71/280750371.db2.gz ATFDDJOQMMALFY-YNEHKIRRSA-N 1 0 270.417 3.020 10 0 CGAERO COc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2CO)c(F)c1 ZINC000269024722 295237508 /nfs/dbraw/zinc/23/75/08/295237508.db2.gz QPARJNQPANUHTG-MQIPJXDCSA-N 1 0 281.371 3.036 10 0 CGAERO COc1ccc(C[NH+](C)C)cc1N[C@H](C)[C@@H]1C[C@@H]1C ZINC000321994839 321961586 /nfs/dbraw/zinc/96/15/86/321961586.db2.gz FQDYKXGXUPLYBZ-OUCADQQQSA-N 1 0 262.397 3.213 10 0 CGAERO C[C@@H]1C[C@H]([NH2+]C2C3CC4CC(C3)CC2C4)C[C@H](C)O1 ZINC000569554230 322250263 /nfs/dbraw/zinc/25/02/63/322250263.db2.gz QAMMPVJLPKHLQX-JHGMHZNVSA-N 1 0 263.425 3.357 10 0 CGAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000571418184 322298282 /nfs/dbraw/zinc/29/82/82/322298282.db2.gz SAVJLQVTDMTDKG-UMSGYPCISA-N 1 0 279.346 3.248 10 0 CGAERO CC[C@@H](C)[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000379632352 330144643 /nfs/dbraw/zinc/14/46/43/330144643.db2.gz NPWKKNLUTOWKIG-NVXWUHKLSA-N 1 0 260.425 3.429 10 0 CGAERO Brc1cccc2[nH]c([C@@H]3CC[NH2+]C3)cc21 ZINC000096885658 330381626 /nfs/dbraw/zinc/38/16/26/330381626.db2.gz LMHLYNRTNWWBTH-MRVPVSSYSA-N 1 0 265.154 3.007 10 0 CGAERO CC/C=C\CC[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000343537034 335208323 /nfs/dbraw/zinc/20/83/23/335208323.db2.gz RPVPSLGQVCJLNC-ZFDPJTLLSA-N 1 0 261.365 3.465 10 0 CGAERO C[C@@H]1CCCC[C@@H]1C[NH+]1CCC(c2ccnn2C)CC1 ZINC000183034595 335857515 /nfs/dbraw/zinc/85/75/15/335857515.db2.gz RRCSLRZWAGZYOB-GDBMZVCRSA-N 1 0 275.440 3.426 10 0 CGAERO CCC(CC)C[N@H+](CC)Cc1nnc(C(C)C)n1C ZINC000195431273 336053816 /nfs/dbraw/zinc/05/38/16/336053816.db2.gz ZGTGQLMZDBOSBX-UHFFFAOYSA-N 1 0 266.433 3.197 10 0 CGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1csc(C)c1 ZINC000381761508 336072545 /nfs/dbraw/zinc/07/25/45/336072545.db2.gz ORKHIRKFUQVAAZ-CABCVRRESA-N 1 0 264.438 3.115 10 0 CGAERO CC(C)(C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)C1CCC1 ZINC000385117121 336139385 /nfs/dbraw/zinc/13/93/85/336139385.db2.gz FANASCPWZXRIFC-MCIONIFRSA-N 1 0 251.414 3.216 10 0 CGAERO CC(C)(C)[NH2+]Cc1occc1COCC(F)(F)F ZINC000052601689 518770826 /nfs/dbraw/zinc/77/08/26/518770826.db2.gz QDXKOMYTPUBVDO-UHFFFAOYSA-N 1 0 265.275 3.247 10 0 CGAERO CC(C)[NH+]1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1 ZINC000055192562 519673607 /nfs/dbraw/zinc/67/36/07/519673607.db2.gz IEAURIIPRLUWSS-UHFFFAOYSA-N 1 0 287.325 3.397 10 0 CGAERO CCOCCC[NH2+]C[C@@H](C)Oc1cc(C)ccc1C ZINC000053566444 519896824 /nfs/dbraw/zinc/89/68/24/519896824.db2.gz LHHANRNHLREDTK-OAHLLOKOSA-N 1 0 265.397 3.087 10 0 CGAERO CC[NH2+]Cc1sc(-c2ccc(F)cc2)nc1C ZINC000052330306 520030073 /nfs/dbraw/zinc/03/00/73/520030073.db2.gz FKEDYVZBUGRQGB-UHFFFAOYSA-N 1 0 250.342 3.367 10 0 CGAERO C[NH2+][C@H](C)c1ccccc1Sc1cc(C)nn1C ZINC000052310275 522453133 /nfs/dbraw/zinc/45/31/33/522453133.db2.gz YEKZFEQOGCGKJJ-LLVKDONJSA-N 1 0 261.394 3.160 10 0 CGAERO Cc1cc(-c2noc(C3C[NH+](C4CCCCC4)C3)n2)ccn1 ZINC000333844617 534001055 /nfs/dbraw/zinc/00/10/55/534001055.db2.gz LZWDWCHBTABCQC-UHFFFAOYSA-N 1 0 298.390 3.172 10 0 CGAERO 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LMAONFHPUDATAQ-CQSZACIVSA-N 1 0 282.428 3.023 10 0 CGAERO Cc1ccccc1C[N@H+]1C[C@@H](C(C)C)NC[C@@H]1C(C)C ZINC000062668240 525147504 /nfs/dbraw/zinc/14/75/04/525147504.db2.gz GDVKICCPGKUQGW-ZWKOTPCHSA-N 1 0 274.452 3.449 10 0 CGAERO Cc1ccc(O)c(C[NH2+]Cc2cccc(C(F)(F)F)c2)n1 ZINC000103340742 525352168 /nfs/dbraw/zinc/35/21/68/525352168.db2.gz LTOGGEKANUVMBR-UHFFFAOYSA-N 1 0 296.292 3.404 10 0 CGAERO Cc1cc(S[C@@H](c2cccc(C)c2)[C@H](C)[NH3+])n(C)n1 ZINC000052308982 525438264 /nfs/dbraw/zinc/43/82/64/525438264.db2.gz HYFXENNEBDAEFH-SWLSCSKDSA-N 1 0 275.421 3.218 10 0 CGAERO Cc1cc(Sc2ccc(F)cc2[C@H](C)[NH3+])n(C)n1 ZINC000052310195 525442179 /nfs/dbraw/zinc/44/21/79/525442179.db2.gz KBQQFAXXOLAGIT-VIFPVBQESA-N 1 0 265.357 3.039 10 0 CGAERO Cc1cc([C@H](C)[NH2+][C@H](CN(C)C)C(C)C)c(C)o1 ZINC000049197377 525530622 /nfs/dbraw/zinc/53/06/22/525530622.db2.gz OYKBCVZFFLDBEN-SWLSCSKDSA-N 1 0 252.402 3.133 10 0 CGAERO Cc1cccnc1N(CCC[NH3+])c1ccc(F)cc1 ZINC000051040719 525533670 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ZINC000055267670 526366737 /nfs/dbraw/zinc/36/67/37/526366737.db2.gz NDQCJTXHHBBZTI-GFCCVEGCSA-N 1 0 250.342 3.142 10 0 CGAERO c1ccc([C@H]2C[N@H+](C3CCCCC3)CCCN2)cc1 ZINC000062626790 526499205 /nfs/dbraw/zinc/49/92/05/526499205.db2.gz MUSHCGBJPOLFQM-QGZVFWFLSA-N 1 0 258.409 3.356 10 0 CGAERO Cc1nc(-c2cccc(Cl)c2)nc(C)c1CCC[NH3+] ZINC000054836441 526584556 /nfs/dbraw/zinc/58/45/56/526584556.db2.gz BERQSDCXQONQLT-UHFFFAOYSA-N 1 0 275.783 3.305 10 0 CGAERO Cc1nc(C)c([C@H](C)[NH2+][C@H](CC(C)C)CN(C)C)s1 ZINC000111361327 526755107 /nfs/dbraw/zinc/75/51/07/526755107.db2.gz YKTXPAHNDHQNOO-GXTWGEPZSA-N 1 0 283.485 3.387 10 0 CGAERO Cc1nc(N2CCCCCCC2)sc1[C@H](C)[NH3+] ZINC000054894808 526964633 /nfs/dbraw/zinc/96/46/33/526964633.db2.gz SPCCXGQDSYYLLV-JTQLQIEISA-N 1 0 253.415 3.242 10 0 CGAERO [NH3+]C1(c2nncn2C2CCCCC2)CCCCCC1 ZINC000054526528 527132311 /nfs/dbraw/zinc/13/23/11/527132311.db2.gz KEISDEMMNOAVPO-UHFFFAOYSA-N 1 0 262.401 3.292 10 0 CGAERO [NH3+]C[C@H](c1nc(-c2ccsc2)c[nH]1)c1ccccc1 ZINC000061613852 527230065 /nfs/dbraw/zinc/23/00/65/527230065.db2.gz DQMTWLQUEMZZKM-ZDUSSCGKSA-N 1 0 269.373 3.229 10 0 CGAERO [NH3+][C@H](Cc1ccc(C(F)(F)F)cc1)C1CCOCC1 ZINC000061672990 527388576 /nfs/dbraw/zinc/38/85/76/527388576.db2.gz JGIPQVZGGZCCGC-CYBMUJFWSA-N 1 0 273.298 3.002 10 0 CGAERO O[C@@H](C[NH2+]CCC1=CCCCC1)c1cc(F)ccc1F ZINC000048330781 527651501 /nfs/dbraw/zinc/65/15/01/527651501.db2.gz LCJRJRHZPMUKNC-INIZCTEOSA-N 1 0 281.346 3.478 10 0 CGAERO CC1(C)[C@@H]([NH2+]Cc2ncoc2-c2ccccc2)[C@@H]2CCO[C@@H]21 ZINC000365488143 527829983 /nfs/dbraw/zinc/82/99/83/527829983.db2.gz DIVFAMJJWTXIGC-JQFCIGGWSA-N 1 0 298.386 3.245 10 0 CGAERO CCC[C@H](C(=O)N[C@H]1CCc2cc(Cl)ccc21)[NH+](C)C ZINC000178652780 527987314 /nfs/dbraw/zinc/98/73/14/527987314.db2.gz IAROMJPPMSSSKL-LSDHHAIUSA-N 1 0 294.826 3.174 10 0 CGAERO CCCC[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccccc1 ZINC000367707704 528855307 /nfs/dbraw/zinc/85/53/07/528855307.db2.gz MOUUJZMWMQHDMD-WCXIOVBPSA-N 1 0 259.393 3.400 10 0 CGAERO CCCC[C@H](CC)C(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000176989804 528897374 /nfs/dbraw/zinc/89/73/74/528897374.db2.gz XSPHMUNMVYHBAA-LSDHHAIUSA-N 1 0 268.445 3.146 10 0 CGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCC1=CCCCC1 ZINC000176368033 529064949 /nfs/dbraw/zinc/06/49/49/529064949.db2.gz DQVUFWJGLTXPTK-MRXNPFEDSA-N 1 0 293.455 3.003 10 0 CGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cnc(C)n1-c1ccccc1 ZINC000084049768 535494966 /nfs/dbraw/zinc/49/49/66/535494966.db2.gz BMTSHZRBNBULEI-RHSMWYFYSA-N 1 0 269.392 3.459 10 0 CGAERO CCOC(C[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1)OCC ZINC000124048985 535735652 /nfs/dbraw/zinc/73/56/52/535735652.db2.gz LGSOTBABLCWBQE-CYBMUJFWSA-N 1 0 298.452 3.030 10 0 CGAERO CC[C@H]1CN(c2ccc(F)cc2Cl)[C@@H](CC)C[NH2+]1 ZINC000083518202 536160465 /nfs/dbraw/zinc/16/04/65/536160465.db2.gz LHXAKZBYCUMCDR-RYUDHWBXSA-N 1 0 270.779 3.446 10 0 CGAERO CC(C)[C@H](C)S[C@@H](C[NH3+])C(F)(F)C(F)(F)F ZINC000616570651 570408985 /nfs/dbraw/zinc/40/89/85/570408985.db2.gz TVVJMEJHYUIBAS-BQBZGAKWSA-N 1 0 265.291 3.289 10 0 CGAERO C[C@@H]([C@H](O)c1ccccc1)[N@H+](C)CCc1ccccc1 ZINC000078525654 560076293 /nfs/dbraw/zinc/07/62/93/560076293.db2.gz JYANONKQBXXHOT-YJBOKZPZSA-N 1 0 269.388 3.283 10 0 biogenic,in-vitro CGAERO COc1cc(OC)cc(-c2ccc(C[NH3+])cc2C)c1 ZINC000094651754 571940246 /nfs/dbraw/zinc/94/02/46/571940246.db2.gz DEQIJESQGXHSOW-UHFFFAOYSA-N 1 0 257.333 3.138 10 0 CGAERO C[C@@H](CCCCO)[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000398566942 572505874 /nfs/dbraw/zinc/50/58/74/572505874.db2.gz GPOFSZTYGORXHD-DZGCQCFKSA-N 1 0 277.408 3.430 10 0 CGAERO COc1ccc(-c2cc(C[NH3+])ccc2C)c(OC)c1 ZINC000097918199 617718698 /nfs/dbraw/zinc/71/86/98/617718698.db2.gz ITQCNGTXRYGAOF-UHFFFAOYSA-N 1 0 257.333 3.138 10 0 CGAERO CCn1nc(C)c([C@H](C)[NH2+][C@H]2CC[C@H](SC)C2)c1C ZINC000300416570 617789117 /nfs/dbraw/zinc/78/91/17/617789117.db2.gz BAEDFGLHUKTDJU-BPNCWPANSA-N 1 0 281.469 3.455 10 0 CGAERO CC(C)(C)Cc1noc([C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)n1 ZINC000068847746 617927193 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CCON1CCC([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000323466287 620553227 /nfs/dbraw/zinc/55/32/27/620553227.db2.gz ILDGDAGKFLDHSY-YPMHNXCESA-N 1 0 294.361 3.113 10 0 CGAERO C[C@@H]1C[C@@H](C)[N@H+](C[C@H](O)c2cc3ccccc3o2)C1 ZINC000164977106 622852406 /nfs/dbraw/zinc/85/24/06/622852406.db2.gz LAARRHJUZUNOBE-BZPMIXESSA-N 1 0 259.349 3.197 10 0 CGAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2COC(C)(C)O2)cc1C ZINC000230210468 623221845 /nfs/dbraw/zinc/22/18/45/623221845.db2.gz NJPNKJRSQVXQPT-UKRRQHHQSA-N 1 0 263.381 3.106 10 0 CGAERO CC[C@@H]([NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000230412606 623240714 /nfs/dbraw/zinc/24/07/14/623240714.db2.gz DLLPUMQCBIBMAE-UONOGXRCSA-N 1 0 284.444 3.268 10 0 CGAERO C[C@H](Cc1nc(C[C@@H]2CCC[NH2+]C2)no1)CC(C)(C)C ZINC000063084525 623292299 /nfs/dbraw/zinc/29/22/99/623292299.db2.gz RJEUQSPEDSLQQL-OLZOCXBDSA-N 1 0 279.428 3.227 10 0 CGAERO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC000083799219 625711012 /nfs/dbraw/zinc/71/10/12/625711012.db2.gz UYGZIWLJPDNHEV-HNNXBMFYSA-N 1 0 296.455 3.413 10 0 CGAERO C[C@@H](NC(=O)CCCC[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000070201794 624978296 /nfs/dbraw/zinc/97/82/96/624978296.db2.gz RLCRUJVQZZONEV-CYBMUJFWSA-N 1 0 276.424 3.290 10 0 CGAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@H]1c1ccc(C2CC2)cc1 ZINC000757185663 630587982 /nfs/dbraw/zinc/58/79/82/630587982.db2.gz XZCWUEJWXYGBDG-HOTGVXAUSA-N 1 0 287.403 3.209 10 0 CGAERO C[C@@H](NC(=O)C[C@H]([NH3+])C1CC1)c1ccc(C(C)(C)C)cc1 ZINC000123647515 633780157 /nfs/dbraw/zinc/78/01/57/633780157.db2.gz MYBCWXQBYCVRNK-WBMJQRKESA-N 1 0 288.435 3.289 10 0 CGAERO CC(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCCS2(=O)=O)cc1 ZINC000126898598 635356260 /nfs/dbraw/zinc/35/62/60/635356260.db2.gz MQFORPKFHCOWMX-CJNGLKHVSA-N 1 0 295.448 3.038 10 0 CGAERO c1cc(-c2noc(C[NH+]3CCCCCCC3)n2)co1 ZINC000105607381 635960045 /nfs/dbraw/zinc/96/00/45/635960045.db2.gz HCEABBXHHWGVCJ-UHFFFAOYSA-N 1 0 261.325 3.096 10 0 CGAERO Cc1ccc([C@H](C)[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)o1 ZINC000131722462 636742361 /nfs/dbraw/zinc/74/23/61/636742361.db2.gz CIVTXIYRHAMMIC-HIFPTAJRSA-N 1 0 294.395 3.294 10 0 CGAERO C[C@@H]1CCC[N@H+](C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000042244717 639913522 /nfs/dbraw/zinc/91/35/22/639913522.db2.gz LEBXSZCIQYVDMP-RISCZKNCSA-N 1 0 287.325 3.471 10 0 CGAERO C[C@@H]1CC[C@@H]([NH2+]C2CCS(=O)CC2)c2ccccc21 ZINC000158007105 639996237 /nfs/dbraw/zinc/99/62/37/639996237.db2.gz WGZONJRBQDOOOI-PGCOXKQFSA-N 1 0 277.433 3.126 10 0 CGAERO COc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C[NH3+])cc1Cl ZINC000089385694 640643537 /nfs/dbraw/zinc/64/35/37/640643537.db2.gz MGLGKRKGUSBANK-ZYHUDNBSSA-N 1 0 296.798 3.052 10 0 CGAERO [NH3+]C[C@@H]1CCCC[C@@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000089383448 640643552 /nfs/dbraw/zinc/64/35/52/640643552.db2.gz QCORBTWJINWMRA-AAEUAGOBSA-N 1 0 275.327 3.108 10 0 CGAERO CC/C=C(/C)C[N@H+](CCOC)Cc1c(C)nn(CC)c1C ZINC000096842027 640840937 /nfs/dbraw/zinc/84/09/37/640840937.db2.gz ACLVYUCCXJRXOU-ZROIWOOFSA-N 1 0 293.455 3.325 10 0 CGAERO [NH3+][C@@H]1CC[C@H](c2nc(CSc3ccc(F)cc3)no2)C1 ZINC000097329037 640862929 /nfs/dbraw/zinc/86/29/29/640862929.db2.gz VHCVYCRFGDQTMC-GXSJLCMTSA-N 1 0 293.367 3.096 10 0 CGAERO O[C@@H]1CCCC[C@@H]1[C@H]1CCC[N@@H+]1C/C(Cl)=C/Cl ZINC000253099740 640871026 /nfs/dbraw/zinc/87/10/26/640871026.db2.gz VLTWSEWYLWRWFH-UOTYLRNMSA-N 1 0 278.223 3.321 10 0 CGAERO CC[NH2+]Cc1sc(-c2ccccn2)nc1C1CC1 ZINC000082435646 178013192 /nfs/dbraw/zinc/01/31/92/178013192.db2.gz DNTBGYZRPCVOKE-UHFFFAOYSA-N 1 0 259.378 3.192 10 0 CGAERO CC(C)[C@@H]1CO[C@@]2(CC[N@H+](Cc3ccccc3F)C2)C1 ZINC000096072021 185086668 /nfs/dbraw/zinc/08/66/68/185086668.db2.gz YVDKAJDNCYEHDQ-RDJZCZTQSA-N 1 0 277.383 3.463 10 0 CGAERO Cc1cc(C)c([C@@H](O)[C@H]2CCC[NH2+]2)c(C)c1Br ZINC000083161626 178345761 /nfs/dbraw/zinc/34/57/61/178345761.db2.gz RTQNRHUQEGZKIH-RISCZKNCSA-N 1 0 298.224 3.160 10 0 CGAERO COc1cc2c(c(OC)c1OC(C)C)[C@H](C(C)C)[NH2+]CC2 ZINC000096889074 185123872 /nfs/dbraw/zinc/12/38/72/185123872.db2.gz AYCRIRXJBQAKLU-HNNXBMFYSA-N 1 0 293.407 3.334 10 0 CGAERO Cc1csc2c1[C@@H]([NH3+])CN(Cc1ccccc1)C2 ZINC000096950730 185139639 /nfs/dbraw/zinc/13/96/39/185139639.db2.gz NIGRBJZLULFJAM-ZDUSSCGKSA-N 1 0 258.390 3.072 10 0 CGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C)s1 ZINC000173332913 529405898 /nfs/dbraw/zinc/40/58/98/529405898.db2.gz KAYNBJCONONVJQ-CHWSQXEVSA-N 1 0 293.436 3.147 10 0 CGAERO Cc1[nH+]ccc(N[C@H]2CCCCC[C@H]2O)c1Cl ZINC000310562262 282191731 /nfs/dbraw/zinc/19/17/31/282191731.db2.gz WCZJODSNBOLLAY-CMPLNLGQSA-N 1 0 254.761 3.149 10 0 CGAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2c(F)ccc(F)c2Cl)C1 ZINC000623373863 349792771 /nfs/dbraw/zinc/79/27/71/349792771.db2.gz OLAWXUAHGSXHLK-RKDXNWHRSA-N 1 0 275.726 3.011 10 0 CGAERO CC[C@H]([NH2+][C@H]1CCCN(CC)C1)c1cccc(F)c1 ZINC000166538617 529670073 /nfs/dbraw/zinc/67/00/73/529670073.db2.gz MTHLYVKGJLETPC-HOTGVXAUSA-N 1 0 264.388 3.351 10 0 CGAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2csc(C(F)(F)F)c2)C1 ZINC000623374049 349793364 /nfs/dbraw/zinc/79/33/64/349793364.db2.gz UWMLDUYFQXEFIF-NXEZZACHSA-N 1 0 279.327 3.160 10 0 CGAERO Fc1ccc(/C=C/C[N@@H+]2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000188401532 542247634 /nfs/dbraw/zinc/24/76/34/542247634.db2.gz IJKSZYMZZFRMDW-XKKXFUJGSA-N 1 0 285.366 3.200 10 0 CGAERO COc1ccc([C@@H](C)C[NH2+][C@H]2CCOC(C)(C)C2)cc1 ZINC000127236569 187290815 /nfs/dbraw/zinc/29/08/15/187290815.db2.gz PLSKWGKJUKTKQE-ZFWWWQNUSA-N 1 0 277.408 3.346 10 0 CGAERO O[C@H]1C2CC[NH+](CC2)[C@@H]1C(c1ccccc1)c1ccccc1 ZINC000001688604 344856640 /nfs/dbraw/zinc/85/66/40/344856640.db2.gz GKIOTMSOXQMART-UXHICEINSA-N 1 0 293.410 3.274 10 0 CGAERO CSc1ccc(C(=O)C(C)(C)C[NH+](C)C)cc1 ZINC000005356611 344861186 /nfs/dbraw/zinc/86/11/86/344861186.db2.gz LAYDHYALSXVMLT-UHFFFAOYSA-N 1 0 251.395 3.179 10 0 CGAERO C[NH2+]CCCN1Cc2ccccc2Cc2ccccc2C1 ZINC000003621980 344858413 /nfs/dbraw/zinc/85/84/13/344858413.db2.gz WMWBTBWHQVYRDJ-UHFFFAOYSA-N 1 0 280.415 3.203 10 0 CGAERO Cc1ccc([C@@](O)(c2ccccc2)[C@H](C)C[NH+](C)C)cc1 ZINC000003642286 344858549 /nfs/dbraw/zinc/85/85/49/344858549.db2.gz KOSOOUWMXGSCPH-APWZRJJASA-N 1 0 283.415 3.429 10 0 CGAERO C[C@@H](C[NH+]1CCCC1)[C@](O)(c1ccccc1)c1ccccn1 ZINC000003642321 344859653 /nfs/dbraw/zinc/85/96/53/344859653.db2.gz VBTFCCSRDNNZLY-LPHOPBHVSA-N 1 0 296.414 3.049 10 0 CGAERO O[C@]1(c2ccccc2)C[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC000033856638 344936682 /nfs/dbraw/zinc/93/66/82/344936682.db2.gz MUPRAECAEXZYHK-CVEARBPZSA-N 1 0 273.763 3.262 10 0 CGAERO CCC[NH+](CCC)CCc1ccc(OC)cc1OC ZINC000034161196 344937619 /nfs/dbraw/zinc/93/76/19/344937619.db2.gz FJUTZFFDHLTOQH-UHFFFAOYSA-N 1 0 265.397 3.368 10 0 CGAERO CC(C)c1cccc(NC(=O)C2CCC([NH3+])CC2)c1 ZINC000037626050 344951914 /nfs/dbraw/zinc/95/19/14/344951914.db2.gz WDSPPWCHLKUUJO-UHFFFAOYSA-N 1 0 260.381 3.266 10 0 CGAERO C[C@H]([NH3+])[C@@H](C)Cc1ccc(F)cc1Br ZINC000037947516 344954359 /nfs/dbraw/zinc/95/43/59/344954359.db2.gz KTKQOPYXMQEWJZ-YUMQZZPRSA-N 1 0 260.150 3.114 10 0 CGAERO CCC(CC)CO[C@H]1C[NH2+]CC[C@@H]1c1ccoc1 ZINC000038458146 344955632 /nfs/dbraw/zinc/95/56/32/344955632.db2.gz WEZPWYINNFMBFP-CABCVRRESA-N 1 0 251.370 3.178 10 0 CGAERO [NH3+]CCCCCCNc1ccnc(-c2ccccn2)c1 ZINC000038852843 344956914 /nfs/dbraw/zinc/95/69/14/344956914.db2.gz ULPRAVBXAIWFAY-UHFFFAOYSA-N 1 0 270.380 3.075 10 0 CGAERO [NH3+][C@H]1CCCSc2c(Br)cccc21 ZINC000036962214 344946171 /nfs/dbraw/zinc/94/61/71/344946171.db2.gz NXZOYSZYSMUZPH-VIFPVBQESA-N 1 0 258.184 3.335 10 0 CGAERO CC(C)C[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000037030912 344946711 /nfs/dbraw/zinc/94/67/11/344946711.db2.gz ZLNRZZZZEXMUAV-SUMWQHHRSA-N 1 0 288.435 3.116 10 0 CGAERO O[C@H]1CCC[C@@H]([NH2+]Cc2ccc3ccccc3c2)C1 ZINC000037164179 344947909 /nfs/dbraw/zinc/94/79/09/344947909.db2.gz ISEUIOXIIRMJJA-SJORKVTESA-N 1 0 255.361 3.233 10 0 CGAERO CS[C@H](c1cc(Br)cs1)[C@H](C)[NH3+] ZINC000043291098 344996578 /nfs/dbraw/zinc/99/65/78/344996578.db2.gz BXKJQDSPLDXNJD-XNCJUZBTSA-N 1 0 266.229 3.262 10 0 CGAERO Brc1ccc(SC[C@H]2CC[NH2+]C2)cc1 ZINC000051890993 345093430 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219173282 /nfs/dbraw/zinc/17/32/82/219173282.db2.gz GSMYGUTUWPPXDK-UHFFFAOYSA-N 1 0 279.409 3.147 10 0 CGAERO C[NH2+][C@@H](c1occc1Br)[C@@H]1CCSC1 ZINC000163186406 346180491 /nfs/dbraw/zinc/18/04/91/346180491.db2.gz XLUQNKWBSLSUFF-VXNVDRBHSA-N 1 0 276.199 3.056 10 0 CGAERO Cc1cc2c(c(-c3ccc(F)cc3)c1)O[C@H](C[NH3+])C2 ZINC000166284470 346186378 /nfs/dbraw/zinc/18/63/78/346186378.db2.gz DBYHRWFDKPDYEG-AWEZNQCLSA-N 1 0 257.308 3.063 10 0 CGAERO C[C@H]([NH3+])c1ccc(Br)c(C(F)(F)F)c1 ZINC000169082027 346191957 /nfs/dbraw/zinc/19/19/57/346191957.db2.gz FHXKDJQWVIDJFU-YFKPBYRVSA-N 1 0 268.076 3.488 10 0 CGAERO CC[C@@H](C)[N@@H+](Cc1cccc(F)c1)C[C@@H](O)COC(C)C ZINC000169677067 346192662 /nfs/dbraw/zinc/19/26/62/346192662.db2.gz AOFNKGFOUHILPG-RHSMWYFYSA-N 1 0 297.414 3.212 10 0 CGAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1sccc1Cl ZINC000194390742 346270388 /nfs/dbraw/zinc/27/03/88/346270388.db2.gz MLMGLEPJDWPCFP-NSHDSACASA-N 1 0 272.845 3.318 10 0 CGAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000219322155 346294938 /nfs/dbraw/zinc/29/49/38/346294938.db2.gz YXPKBVPEFXWNPT-OLZOCXBDSA-N 1 0 296.798 3.349 10 0 CGAERO CC[C@@H]([NH2+]C)c1c(F)ccc(Br)c1F ZINC000233894670 346330691 /nfs/dbraw/zinc/33/06/91/346330691.db2.gz XUPDGWFIOYPKOG-MRVPVSSYSA-N 1 0 264.113 3.398 10 0 CGAERO C[NH2+]C[C@H]1C[C@H]1c1cc(Br)c(Cl)s1 ZINC000227955403 346312418 /nfs/dbraw/zinc/31/24/18/346312418.db2.gz VYOFFCSTLJFSIV-PHDIDXHHSA-N 1 0 280.618 3.487 10 0 CGAERO C[C@@H]([NH3+])C[C@H](C)Nc1ncc(C(F)(F)F)cc1Cl ZINC000228267167 346314228 /nfs/dbraw/zinc/31/42/28/346314228.db2.gz QUQPVEVQJXNSCM-RQJHMYQMSA-N 1 0 281.709 3.292 10 0 CGAERO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000238089762 346347805 /nfs/dbraw/zinc/34/78/05/346347805.db2.gz VIDFRQIELRBMKJ-MELADBBJSA-N 1 0 282.428 3.151 10 0 CGAERO [NH3+]C[C@@H]1C[C@@H]1c1cc(Br)ccc1Cl ZINC000236173219 346340134 /nfs/dbraw/zinc/34/01/34/346340134.db2.gz RKWFOQZJPXDVEA-XPUUQOCRSA-N 1 0 260.562 3.165 10 0 CGAERO CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H]1CCCC[C@H]1[NH3+] ZINC000250590000 346386285 /nfs/dbraw/zinc/38/62/85/346386285.db2.gz JZPMFGVTNULNBY-BFHYXJOUSA-N 1 0 282.428 3.294 10 0 CGAERO C[NH2+]C[C@@H]1[C@@H](c2ccc(Br)o2)C1(C)C ZINC000300928853 346438378 /nfs/dbraw/zinc/43/83/78/346438378.db2.gz FJIYSRMKHOUZRP-XCBNKYQSSA-N 1 0 258.159 3.001 10 0 CGAERO CC1(C)[C@@H]([NH3+])[C@@]1(C)c1cc(Br)cs1 ZINC000300964430 346439066 /nfs/dbraw/zinc/43/90/66/346439066.db2.gz IQDWUNZEIXKJKT-PSASIEDQSA-N 1 0 260.200 3.135 10 0 CGAERO C[C@]1([C@@H]([NH3+])c2ccc(Br)s2)C[C@@H]1F ZINC000306851354 346458571 /nfs/dbraw/zinc/45/85/71/346458571.db2.gz QHIRYGXYHIXHMC-XVYDVKMFSA-N 1 0 264.163 3.259 10 0 CGAERO C[C@@H]1CCC[C@@H]([C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000307329940 346461647 /nfs/dbraw/zinc/46/16/47/346461647.db2.gz XLFXCRYHMFTESQ-NXHRZFHOSA-N 1 0 273.420 3.450 10 0 CGAERO [NH3+]Cc1ncc(-c2sccc2Br)s1 ZINC000307619160 346464279 /nfs/dbraw/zinc/46/42/79/346464279.db2.gz WMCCVLLSJGLUAW-UHFFFAOYSA-N 1 0 275.196 3.093 10 0 CGAERO C[NH2+]C[C@H]1[C@@H](c2ccc(Br)cc2)C1(F)F ZINC000409431521 346605457 /nfs/dbraw/zinc/60/54/57/346605457.db2.gz KIPZLUCINIPOFA-VHSXEESVSA-N 1 0 276.124 3.017 10 0 CGAERO C[NH2+][C@@H](c1ccccc1)c1cc(Br)ccc1N ZINC000584646262 346703791 /nfs/dbraw/zinc/70/37/91/346703791.db2.gz WDXBQFLBMYKXSF-AWEZNQCLSA-N 1 0 291.192 3.340 10 0 CGAERO CCC[NH2+][C@@H]1CCN2CCc3c4ccccc4[nH]c3[C@H]2C1 ZINC000584605709 346691352 /nfs/dbraw/zinc/69/13/52/346691352.db2.gz CIUMMKUGKGCFRC-CXAGYDPISA-N 1 0 283.419 3.229 10 0 CGAERO O[C@@]1(C2c3ccccc3-c3ccccc32)C[NH+]2CCC1CC2 ZINC000584616712 346693922 /nfs/dbraw/zinc/69/39/22/346693922.db2.gz UZMKAZZQMJCCFM-FQEVSTJZSA-N 1 0 291.394 3.256 10 0 CGAERO Clc1ccc2cc(C[NH2+]CCN3CCCC3)[nH]c2c1 ZINC000584618706 346695112 /nfs/dbraw/zinc/69/51/12/346695112.db2.gz MOMNVTNWRFMBBD-UHFFFAOYSA-N 1 0 277.799 3.007 10 0 CGAERO Cc1cccc(-c2cccc3c2O[C@@H](CC[NH3+])C3)c1 ZINC000584624975 346697130 /nfs/dbraw/zinc/69/71/30/346697130.db2.gz VCLXTCWPKJPDSJ-HNNXBMFYSA-N 1 0 253.345 3.314 10 0 CGAERO Cc1cccc(C)c1[C@@]1(O)CC[N@@H+]2CCCC[C@@H]2C1 ZINC000584625415 346697199 /nfs/dbraw/zinc/69/71/99/346697199.db2.gz MAZYAQHCVVAFNR-NVXWUHKLSA-N 1 0 259.393 3.139 10 0 CGAERO CC[N@@H+]1CC[C@@H]([C@](O)(Cc2ccccc2)c2ccccc2)C1 ZINC000584633972 346700413 /nfs/dbraw/zinc/70/04/13/346700413.db2.gz UDGFYUZCEXRDEI-UXHICEINSA-N 1 0 295.426 3.459 10 0 CGAERO C[NH+](C)CC[C@H]1c2ccccc2Oc2ncccc21 ZINC000584638323 346701459 /nfs/dbraw/zinc/70/14/59/346701459.db2.gz NLGDZLCJUQJNAO-LBPRGKRZSA-N 1 0 254.333 3.271 10 0 CGAERO CCC[NH2+][C@@H](c1cccc(OCC)c1)[C@@H]1CCOC1 ZINC000104101615 185895769 /nfs/dbraw/zinc/89/57/69/185895769.db2.gz OUZVECXEKACGTF-ZBFHGGJFSA-N 1 0 263.381 3.163 10 0 CGAERO C[N@@H+]1CC[C@@H](c2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000616613471 348846516 /nfs/dbraw/zinc/84/65/16/348846516.db2.gz RHXCJELXZSYOSU-CYBMUJFWSA-N 1 0 276.380 3.453 10 0 CGAERO [NH3+]Cc1cccc(OC(F)(F)F)c1C(F)(F)F ZINC000616580475 348835513 /nfs/dbraw/zinc/83/55/13/348835513.db2.gz VMCVGMQTIYYLLQ-UHFFFAOYSA-N 1 0 259.149 3.063 10 0 CGAERO OCc1ccccc1[C@@H]1CC[N@H+](Cc2ccccc2)CCO1 ZINC000616592146 348838569 /nfs/dbraw/zinc/83/85/69/348838569.db2.gz BZFMLHIKNKJZNU-IBGZPJMESA-N 1 0 297.398 3.143 10 0 CGAERO COc1ccc([C@@H]2CC[N@@H+](C(C)(C)C)CCO2)cc1 ZINC000616594171 348839035 /nfs/dbraw/zinc/83/90/35/348839035.db2.gz OEFGFGHXIPYESO-HNNXBMFYSA-N 1 0 263.381 3.257 10 0 CGAERO CC(C)[N@@H+]1CCO[C@H](c2cccc3ccncc32)CC1 ZINC000616595863 348839334 /nfs/dbraw/zinc/83/93/34/348839334.db2.gz ZLITZIDSXRQERF-KRWDZBQOSA-N 1 0 270.376 3.407 10 0 CGAERO CCOC(=O)c1ccccc1[C@H]1CC[N@@H+](C(C)C)CCO1 ZINC000616594965 348839398 /nfs/dbraw/zinc/83/93/98/348839398.db2.gz SHGAMGHJEDQMNL-MRXNPFEDSA-N 1 0 291.391 3.035 10 0 CGAERO CC(=O)Nc1ccc([C@H]2CCOCC[N@@H+]2C(C)(C)C)cc1 ZINC000616598994 348841726 /nfs/dbraw/zinc/84/17/26/348841726.db2.gz NNDULUZRNRYKFB-MRXNPFEDSA-N 1 0 290.407 3.207 10 0 CGAERO CCOC(=O)c1ccc([C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC000616606295 348843855 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348855712 /nfs/dbraw/zinc/85/57/12/348855712.db2.gz TUBIJYGEBALBKZ-HNNXBMFYSA-N 1 0 263.381 3.257 10 0 CGAERO CC[N@@H+]1CCCO[C@H](c2cc3ccccc3cn2)C1 ZINC000616648749 348855754 /nfs/dbraw/zinc/85/57/54/348855754.db2.gz BEJHJQIVESPWTR-INIZCTEOSA-N 1 0 256.349 3.018 10 0 CGAERO c1cc([C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)n[nH]1 ZINC000616655283 348857654 /nfs/dbraw/zinc/85/76/54/348857654.db2.gz SXTAITTYTAAWDX-OAHLLOKOSA-N 1 0 255.365 3.179 10 0 CGAERO CC(C)[N@@H+]1CCOC[C@@H](c2cccc3cccnc32)C1 ZINC000616661897 348858546 /nfs/dbraw/zinc/85/85/46/348858546.db2.gz ZUFPZCXFZHTSMS-HNNXBMFYSA-N 1 0 270.376 3.059 10 0 CGAERO CC(C)(C)[N@@H+]1CCOC[C@@H](c2cccc3cnccc32)C1 ZINC000616660850 348858986 /nfs/dbraw/zinc/85/89/86/348858986.db2.gz PSSSVTFQDIBCED-HNNXBMFYSA-N 1 0 284.403 3.449 10 0 CGAERO c1ccc(C[N@@H+]2CCO[C@@H](c3ccccn3)CC2)cc1 ZINC000616662132 348859037 /nfs/dbraw/zinc/85/90/37/348859037.db2.gz BGZGKGMACAWXHH-QGZVFWFLSA-N 1 0 268.360 3.045 10 0 CGAERO CC(C)(C)[N@@H+]1CCO[C@H](c2cccc3ccnnc32)CC1 ZINC000616665834 348859886 /nfs/dbraw/zinc/85/98/86/348859886.db2.gz ZPAWWCWVIQGMKA-HNNXBMFYSA-N 1 0 285.391 3.192 10 0 CGAERO [NH3+]CCN1CC[C@H](c2ccccc2F)c2ccccc21 ZINC000616675762 348863758 /nfs/dbraw/zinc/86/37/58/348863758.db2.gz QGDWYHLREORCDH-CYBMUJFWSA-N 1 0 270.351 3.126 10 0 CGAERO CC[N@@H+]1CCc2ccccc2[C@H]1c1ccc(N)cc1 ZINC000616679147 348864766 /nfs/dbraw/zinc/86/47/66/348864766.db2.gz LADIIDAXXGPUDR-QGZVFWFLSA-N 1 0 252.361 3.236 10 0 CGAERO CC(C)(C)[N@@H+]1CCc2ccccc2[C@H]1c1cncnc1 ZINC000616679788 348864960 /nfs/dbraw/zinc/86/49/60/348864960.db2.gz XDGQNWSZPSCBHS-MRXNPFEDSA-N 1 0 267.376 3.223 10 0 CGAERO CC(C)N(CC(F)(F)F)c1ccc(F)cc1CC[NH3+] ZINC000104263627 185948125 /nfs/dbraw/zinc/94/81/25/185948125.db2.gz KWIRQGSMESPVJX-UHFFFAOYSA-N 1 0 278.293 3.104 10 0 CGAERO CN(Cc1ccsc1)c1ccc(CC[NH3+])cc1F ZINC000104267075 185949012 /nfs/dbraw/zinc/94/90/12/185949012.db2.gz MBLRNIJZQDLGIZ-UHFFFAOYSA-N 1 0 264.369 3.025 10 0 CGAERO Cc1nnc(Sc2ccc(C[NH2+]C3CC3)c(C)c2)o1 ZINC000104297155 185958454 /nfs/dbraw/zinc/95/84/54/185958454.db2.gz SMBGQQMOKWCVMJ-UHFFFAOYSA-N 1 0 275.377 3.090 10 0 CGAERO COCCc1ccc(Cl)c(C[NH2+]C2CCC2)c1 ZINC000090556057 180003288 /nfs/dbraw/zinc/00/32/88/180003288.db2.gz UKPRQMHPHCNXHC-UHFFFAOYSA-N 1 0 253.773 3.171 10 0 CGAERO CCCCCNC(=O)[C@H](C)[NH2+][C@H](C)C(CC)CC ZINC000104437360 186001490 /nfs/dbraw/zinc/00/14/90/186001490.db2.gz CNBSWDTXCZYKGF-OLZOCXBDSA-N 1 0 256.434 3.096 10 0 CGAERO C[C@@H]([NH2+]CCc1cscn1)c1ccc(Cl)cn1 ZINC000359618873 233346671 /nfs/dbraw/zinc/34/66/71/233346671.db2.gz LMUDREKEEQDKAK-SECBINFHSA-N 1 0 267.785 3.085 10 0 CGAERO [NH3+]C[C@H]1CC[C@H](Nc2cc(C(F)(F)F)ccn2)CC1 ZINC000630556474 350852953 /nfs/dbraw/zinc/85/29/53/350852953.db2.gz HFKLXHZPWSXFMD-HOMQSWHASA-N 1 0 273.302 3.030 10 0 CGAERO [NH3+]C[C@H]1CC[C@H](Nc2ccc(C(F)(F)F)cn2)CC1 ZINC000630556644 350853008 /nfs/dbraw/zinc/85/30/08/350853008.db2.gz JOOKJRGXAJNFQN-HOMQSWHASA-N 1 0 273.302 3.030 10 0 CGAERO O[C@@H](C[N@@H+]1CCCC12CCCC2)c1ccccc1F ZINC000365518568 234107904 /nfs/dbraw/zinc/10/79/04/234107904.db2.gz WHDGKINMFWJLCL-HNNXBMFYSA-N 1 0 263.356 3.268 10 0 CGAERO CC[C@@H]1[C@@H](C)CCN1Cc1cc(Br)no1 ZINC000292674512 198370998 /nfs/dbraw/zinc/37/09/98/198370998.db2.gz BRVDXOJOPLQASG-WCBMZHEXSA-N 1 0 273.174 3.058 10 0 CGAERO c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)nc1 ZINC000104959709 138350686 /nfs/dbraw/zinc/35/06/86/138350686.db2.gz JWXISZWXGKACGU-OAHLLOKOSA-N 1 0 282.343 3.147 10 0 CGAERO CCc1nccn1[C@H]1CCCN(c2ccnc(C(C)C)n2)C1 ZINC000110585838 138363260 /nfs/dbraw/zinc/36/32/60/138363260.db2.gz GUACVRPRARBHRO-AWEZNQCLSA-N 1 0 299.422 3.200 10 0 CGAERO O=C(c1coc2ccccc12)N1CCC([NH+]2CCCC2)CC1 ZINC000113168799 138365100 /nfs/dbraw/zinc/36/51/00/138365100.db2.gz XQANVNWTKIPOSY-UHFFFAOYSA-N 1 0 298.386 3.133 10 0 CGAERO Cc1cnc([C@H](C)[NH2+]C[C@@H]2Cc3ccccc3O2)s1 ZINC000124356652 138374452 /nfs/dbraw/zinc/37/44/52/138374452.db2.gz MFEPUSXLAUATIQ-AAEUAGOBSA-N 1 0 274.389 3.106 10 0 CGAERO CCOC1CC([NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000124456902 138375098 /nfs/dbraw/zinc/37/50/98/138375098.db2.gz MJHHZOYLDITMHZ-UHFFFAOYSA-N 1 0 265.319 3.265 10 0 CGAERO CCc1ccc([C@@H](C)[NH2+]CCn2cc(C)cn2)s1 ZINC000123954256 138371993 /nfs/dbraw/zinc/37/19/93/138371993.db2.gz YMIPUAOYWVWVNK-GFCCVEGCSA-N 1 0 263.410 3.166 10 0 CGAERO CCc1ccc([C@H](C)[NH2+]CC(=O)N2CCC[C@H](C)C2)cc1 ZINC000125471159 138382328 /nfs/dbraw/zinc/38/23/28/138382328.db2.gz WYDLYRGGTQJJGR-GJZGRUSLSA-N 1 0 288.435 3.158 10 0 CGAERO O[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000129016184 138395524 /nfs/dbraw/zinc/39/55/24/138395524.db2.gz JESJVMBWIPYCRU-FZMZJTMJSA-N 1 0 271.763 3.120 10 0 CGAERO c1csc([C@@H]2CCC[N@@H+](Cc3ccc4c[nH]nc4c3)C2)n1 ZINC000127592394 138389678 /nfs/dbraw/zinc/38/96/78/138389678.db2.gz MLWLGPLRTUUTCD-CQSZACIVSA-N 1 0 298.415 3.399 10 0 CGAERO Cc1ccc(F)c(NC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)c1 ZINC000130118792 138399281 /nfs/dbraw/zinc/39/92/81/138399281.db2.gz ABMWPIYGHBCEMQ-BLLLJJGKSA-N 1 0 286.350 3.409 10 0 CGAERO CC[C@H]([NH2+]Cc1cccnc1-n1cncn1)C1CCCCC1 ZINC000178058050 138426645 /nfs/dbraw/zinc/42/66/45/138426645.db2.gz MXBIMUGSZYOTCA-INIZCTEOSA-N 1 0 299.422 3.111 10 0 CGAERO O=C1Nc2ccccc2[C@H]1CC[NH2+]C[C@H]1CC=CCC1 ZINC000194815209 138487898 /nfs/dbraw/zinc/48/78/98/138487898.db2.gz XSKPGOZBIMYHKR-DZGCQCFKSA-N 1 0 270.376 3.058 10 0 CGAERO Cc1c(C[NH2+][C@@H](C)c2cccc(C3CC3)c2)cnn1C ZINC000294750221 199165697 /nfs/dbraw/zinc/16/56/97/199165697.db2.gz LXRIGIOIYCTMNT-LBPRGKRZSA-N 1 0 269.392 3.457 10 0 CGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1ccc(C)cc1 ZINC000178321302 189106529 /nfs/dbraw/zinc/10/65/29/189106529.db2.gz LRSNLHGMWGWUHX-QGZVFWFLSA-N 1 0 269.392 3.165 10 0 CGAERO C[C@H](COCc1ccccc1)[NH2+][C@H](C)c1nccs1 ZINC000179436655 189194111 /nfs/dbraw/zinc/19/41/11/189194111.db2.gz XSHJJCQEWYEKFF-CHWSQXEVSA-N 1 0 276.405 3.399 10 0 CGAERO CC(C)Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3ncnn3C2)cc1 ZINC000180579218 189262887 /nfs/dbraw/zinc/26/28/87/189262887.db2.gz KSQSPCJVZBCKKE-PBHICJAKSA-N 1 0 298.434 3.142 10 0 CGAERO [NH3+][C@H]1CCC[C@@H](c2ccc(Br)cc2)C1 ZINC000077607616 283629930 /nfs/dbraw/zinc/62/99/30/283629930.db2.gz ICMCFWYAEBORIP-PWSUYJOCSA-N 1 0 254.171 3.434 10 0 CGAERO Cc1ccc(CCC[N@H+]2CC[C@H](c3cnn(C)c3)C2)cc1 ZINC000181890621 189309477 /nfs/dbraw/zinc/30/94/77/189309477.db2.gz MVSVBKGLLUAAHC-KRWDZBQOSA-N 1 0 283.419 3.151 10 0 CGAERO Cc1ccc([C@@H]2CCCC[N@@H+]2CCCn2ccnc2)o1 ZINC000182795146 189335417 /nfs/dbraw/zinc/33/54/17/189335417.db2.gz PMMOULMBCWWQMB-HNNXBMFYSA-N 1 0 273.380 3.402 10 0 CGAERO COC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(C)o2)c1 ZINC000183083157 189345912 /nfs/dbraw/zinc/34/59/12/189345912.db2.gz DAIGDJJOEQOAFV-LBPRGKRZSA-N 1 0 273.332 3.225 10 0 CGAERO Cc1cccc2c(N3CC[C@]4(CCOC4)C3)cc[nH+]c12 ZINC000301672975 201128521 /nfs/dbraw/zinc/12/85/21/201128521.db2.gz OOYRHWNUSDHNHO-KRWDZBQOSA-N 1 0 268.360 3.160 10 0 CGAERO Cc1[nH+]c2ccccc2c(NCCC2(C)OCCO2)c1C ZINC000302169142 201379445 /nfs/dbraw/zinc/37/94/45/201379445.db2.gz TVLQWKJYLDGRTN-UHFFFAOYSA-N 1 0 286.375 3.417 10 0 CGAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(OCc2nccn2C)cc1 ZINC000120450199 370768819 /nfs/dbraw/zinc/76/88/19/370768819.db2.gz QPYRFHBEGDDZPW-HEHGZKQESA-N 1 0 285.391 3.058 10 0 CGAERO [NH3+]Cc1nc(-c2ccc(Br)cc2)cs1 ZINC000003709638 368517822 /nfs/dbraw/zinc/51/78/22/368517822.db2.gz RAIWFGHWAWMXFQ-UHFFFAOYSA-N 1 0 269.167 3.031 10 0 CGAERO CCOc1cc(C[NH3+])ccc1OCc1ccccc1 ZINC000004227553 368538633 /nfs/dbraw/zinc/53/86/33/368538633.db2.gz CMJINALIROBVNH-UHFFFAOYSA-N 1 0 257.333 3.123 10 0 CGAERO Brc1cncc([C@@H]2CCCCC[NH2+]2)c1 ZINC000012937721 368635682 /nfs/dbraw/zinc/63/56/82/368635682.db2.gz UUFZUVUILOYCEB-NSHDSACASA-N 1 0 255.159 3.049 10 0 CGAERO CCC[N@H+](CCCF)C1Cc2cc(OC)c(OC)cc2C1 ZINC000013471401 368654307 /nfs/dbraw/zinc/65/43/07/368654307.db2.gz GKMPOKJUCTTXEA-UHFFFAOYSA-N 1 0 295.398 3.243 10 0 CGAERO COc1ccc2c(c1)[C@H]1C[NH2+][C@@H](C2)c2ccccc21 ZINC000013900617 368669333 /nfs/dbraw/zinc/66/93/33/368669333.db2.gz DFVGRJGOUXGIFE-IRXDYDNUSA-N 1 0 251.329 3.028 10 0 CGAERO COc1cc(N[C@@H](C)CCC[NH3+])c2ccccc2c1OC ZINC000027559534 368872100 /nfs/dbraw/zinc/87/21/00/368872100.db2.gz TWJDPFAQTXVRLT-LBPRGKRZSA-N 1 0 288.391 3.396 10 0 CGAERO [NH3+]Cc1ccc(-c2cccc(I)c2)o1 ZINC000034975333 368984936 /nfs/dbraw/zinc/98/49/36/368984936.db2.gz NKAAYGUDXORLNO-UHFFFAOYSA-N 1 0 299.111 3.010 10 0 CGAERO COc1ccc([C@@H]([NH3+])[C@@H]2CCCO2)c2ccccc12 ZINC000034973368 368985150 /nfs/dbraw/zinc/98/51/50/368985150.db2.gz KWKKNPSTIXLFBV-JKSUJKDBSA-N 1 0 257.333 3.027 10 0 CGAERO COc1ccc([C@H]([NH3+])c2ccncc2)c2ccccc12 ZINC000034973356 368985364 /nfs/dbraw/zinc/98/53/64/368985364.db2.gz CSQLMKAZNBBYAV-QGZVFWFLSA-N 1 0 264.328 3.292 10 0 CGAERO COc1ccc(C(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC000035020368 368991166 /nfs/dbraw/zinc/99/11/66/368991166.db2.gz DUTXKGHCLKAPGV-CYBMUJFWSA-N 1 0 261.365 3.142 10 0 CGAERO CCN1CCC[C@H]([NH2+]Cc2ccccc2Br)C1 ZINC000040502431 369158253 /nfs/dbraw/zinc/15/82/53/369158253.db2.gz HHIMGWLWRIEREN-ZDUSSCGKSA-N 1 0 297.240 3.023 10 0 CGAERO CCN1CCC[C@H]([NH2+]C2CC(c3cccc(F)c3)C2)C1 ZINC000040502689 369158289 /nfs/dbraw/zinc/15/82/89/369158289.db2.gz HTNXYDURSCBEJX-WIHSUSGWSA-N 1 0 276.399 3.146 10 0 CGAERO c1csc(C[NH2+]Cc2ccc(-c3cc[nH]n3)cc2)c1 ZINC000040768449 369162936 /nfs/dbraw/zinc/16/29/36/369162936.db2.gz VFBJDIGNELQRKR-UHFFFAOYSA-N 1 0 269.373 3.428 10 0 CGAERO CCOC(=O)CC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000045686786 369284647 /nfs/dbraw/zinc/28/46/47/369284647.db2.gz YEXHLSSGOBZCEV-VIFPVBQESA-N 1 0 273.735 3.083 10 0 CGAERO CCOc1cccc(C[NH2+]CCc2nc3ccccc3[nH]2)c1 ZINC000057353434 369536316 /nfs/dbraw/zinc/53/63/16/369536316.db2.gz QXRIGABXVDMGNP-UHFFFAOYSA-N 1 0 295.386 3.294 10 0 CGAERO CC[N@H+](CCOc1c(C)cccc1C)Cc1[nH]cnc1C ZINC000055227945 369513156 /nfs/dbraw/zinc/51/31/56/369513156.db2.gz DKBIKDVWQZOFIV-UHFFFAOYSA-N 1 0 287.407 3.236 10 0 CGAERO COc1ccc(CCCC2CC[NH2+]CC2)cc1OC ZINC000059843458 369581643 /nfs/dbraw/zinc/58/16/43/369581643.db2.gz RQUQFNAMQIFASC-UHFFFAOYSA-N 1 0 263.381 3.026 10 0 CGAERO c1ccc2c(c1)OC[C@@H]2[NH2+]Cc1ccc2ncccc2c1 ZINC000070543059 369803817 /nfs/dbraw/zinc/80/38/17/369803817.db2.gz JWENCQWKCMSUCF-KRWDZBQOSA-N 1 0 276.339 3.458 10 0 CGAERO CCOc1ccc(C[NH2+][C@@H]2COc3ccccc32)cc1 ZINC000070070307 369778234 /nfs/dbraw/zinc/77/82/34/369778234.db2.gz HYPYNZQYZNRZJT-MRXNPFEDSA-N 1 0 269.344 3.309 10 0 CGAERO CC(C)C1CCC([NH2+]C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000085978461 370019170 /nfs/dbraw/zinc/01/91/70/370019170.db2.gz ZATBHWLKNJNVAY-GRAKBVBRSA-N 1 0 253.430 3.342 10 0 CGAERO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(Cl)s2)[nH]1 ZINC000093084629 370106828 /nfs/dbraw/zinc/10/68/28/370106828.db2.gz NREPSBNGZHBFEP-MRVPVSSYSA-N 1 0 298.795 3.367 10 0 CGAERO Clc1nc2ccccc2nc1OCCC1CC[NH2+]CC1 ZINC000095070477 370169959 /nfs/dbraw/zinc/16/99/59/370169959.db2.gz ISUCYLUCSAHVBY-UHFFFAOYSA-N 1 0 291.782 3.052 10 0 CGAERO FC(F)(F)N1CCC[C@H](C[NH2+]Cc2ccccc2)C1 ZINC000095076996 370170992 /nfs/dbraw/zinc/17/09/92/370170992.db2.gz HMSJBKXFLFXDHL-CYBMUJFWSA-N 1 0 272.314 3.008 10 0 CGAERO C[C@@H](c1ccco1)[N@@H+]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000095089083 370173352 /nfs/dbraw/zinc/17/33/52/370173352.db2.gz AUOUOJCLSAQLFP-QWHCGFSZSA-N 1 0 294.395 3.330 10 0 CGAERO c1ccc2oc(OCCC[C@@H]3CCCC[NH2+]3)nc2c1 ZINC000095092547 370175214 /nfs/dbraw/zinc/17/52/14/370175214.db2.gz VXPOLOZVVBAIKF-LBPRGKRZSA-N 1 0 260.337 3.129 10 0 CGAERO C[C@@H](C(=O)N(C)Cc1ccc(F)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000101627402 370293198 /nfs/dbraw/zinc/29/31/98/370293198.db2.gz ROVRXRZRYPXVRQ-MCIONIFRSA-N 1 0 292.398 3.045 10 0 CGAERO Cn1c(C[N@@H+]2CCC[C@H]2C2CCC2)nnc1-c1ccccc1 ZINC000102927852 370314495 /nfs/dbraw/zinc/31/44/95/370314495.db2.gz DIZSFFWGSPEZMC-INIZCTEOSA-N 1 0 296.418 3.247 10 0 CGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(Cl)c1 ZINC000113367203 370473294 /nfs/dbraw/zinc/47/32/94/370473294.db2.gz JIPDWYNUKCVIPS-SMDDNHRTSA-N 1 0 293.798 3.040 10 0 CGAERO CC(C)[C@H](C)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000114113919 370490619 /nfs/dbraw/zinc/49/06/19/370490619.db2.gz 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274.408 3.259 10 0 CGAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(C)nc1C ZINC000186989403 374951201 /nfs/dbraw/zinc/95/12/01/374951201.db2.gz BKSYLGLNDUIUTM-QGZVFWFLSA-N 1 0 298.434 3.386 10 0 CGAERO Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)c(C)n1 ZINC000187774422 375090704 /nfs/dbraw/zinc/09/07/04/375090704.db2.gz JUIAXLRRCHGVAD-IRXDYDNUSA-N 1 0 284.407 3.168 10 0 CGAERO CCc1ccccc1C[NH+]1CCC(c2ccnn2C)CC1 ZINC000188924994 375293126 /nfs/dbraw/zinc/29/31/26/375293126.db2.gz SOSVHEZARBKOSX-UHFFFAOYSA-N 1 0 283.419 3.362 10 0 CGAERO CCc1ccccc1C[N@H+]1CCC[C@H](c2nncn2CC)C1 ZINC000188927582 375293591 /nfs/dbraw/zinc/29/35/91/375293591.db2.gz BMVBIAPPLYZGSZ-KRWDZBQOSA-N 1 0 298.434 3.240 10 0 CGAERO CCc1ccccc1C[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000188944797 375296314 /nfs/dbraw/zinc/29/63/14/375296314.db2.gz IFUGCSZUVSEYFK-QGZVFWFLSA-N 1 0 269.392 3.320 10 0 CGAERO Cc1nc([C@@H]2CCCN2CCC[NH+]2CCCCC2)cs1 ZINC000189243420 375346851 /nfs/dbraw/zinc/34/68/51/375346851.db2.gz HZXVWTGFTFFZJV-INIZCTEOSA-N 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C[C@@H]([NH2+]C[C@H]1CCN(C)c2ccccc21)c1ccncc1 ZINC000173983693 165567223 /nfs/dbraw/zinc/56/72/23/165567223.db2.gz XIEOJKGWXOTRSZ-GDBMZVCRSA-N 1 0 281.403 3.356 10 0 CGAERO C[C@H]([NH2+]C1CCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000110551182 287131716 /nfs/dbraw/zinc/13/17/16/287131716.db2.gz PVQMENTVSHGMEF-STQMWFEESA-N 1 0 282.428 3.164 10 0 CGAERO COCCC[C@@H](C)[NH2+]C[C@H]1CCN(C)c2ccccc21 ZINC000180018005 165650519 /nfs/dbraw/zinc/65/05/19/165650519.db2.gz ADBFAIARFXIQBJ-HUUCEWRRSA-N 1 0 276.424 3.015 10 0 CGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N([C@@H](C)C(C)C)C1CC1 ZINC000121654776 287201890 /nfs/dbraw/zinc/20/18/90/287201890.db2.gz IGNHEQBPWUDGOW-LSDHHAIUSA-N 1 0 297.487 3.181 10 0 CGAERO CCCC[C@H](CC)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000121968252 287205171 /nfs/dbraw/zinc/20/51/71/287205171.db2.gz GXBKJGOEZDYZFS-ZFWWWQNUSA-N 1 0 268.445 3.227 10 0 CGAERO CC[C@]1(C(=O)N2CCC[C@H](C(C)(C)C)CC2)CCC[NH2+]1 ZINC000122183124 287207154 /nfs/dbraw/zinc/20/71/54/287207154.db2.gz MFSNLDLDLMBBCF-WMLDXEAASA-N 1 0 280.456 3.193 10 0 CGAERO CCCCCCOc1ccc(CC[NH3+])cc1OC ZINC000011805781 170443623 /nfs/dbraw/zinc/44/36/23/170443623.db2.gz WWWATCVLNMAJNI-UHFFFAOYSA-N 1 0 251.370 3.156 10 0 CGAERO COc1ccc(C[NH3+])c(OCc2cccc(Cl)c2)c1 ZINC000011829908 170445254 /nfs/dbraw/zinc/44/52/54/170445254.db2.gz FCIDMNMTRYDCOF-UHFFFAOYSA-N 1 0 277.751 3.386 10 0 CGAERO Cc1ccc(NC(=O)COc2cccc([C@H](C)[NH3+])c2)cc1 ZINC000019265656 170764214 /nfs/dbraw/zinc/76/42/14/170764214.db2.gz GYPMFLBGBRQNNK-ZDUSSCGKSA-N 1 0 284.359 3.032 10 0 CGAERO CC(C)(C)c1ccc([C@H]([NH3+])CN2CCCCCC2=O)cc1 ZINC000019399126 170784416 /nfs/dbraw/zinc/78/44/16/170784416.db2.gz DLCUVNRYPDBMJB-MRXNPFEDSA-N 1 0 288.435 3.387 10 0 CGAERO Cc1cccc(COc2ccc(CC(N)=[NH2+])cc2)c1 ZINC000019424061 170793922 /nfs/dbraw/zinc/79/39/22/170793922.db2.gz OJLIGZRGVJVCSI-UHFFFAOYSA-N 1 0 254.333 3.052 10 0 CGAERO [NH3+]C[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000019726238 170845578 /nfs/dbraw/zinc/84/55/78/170845578.db2.gz WCSKFKFMFNLMCC-GFCCVEGCSA-N 1 0 254.171 3.292 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1cc(F)cc(F)c1 ZINC000125633952 287248075 /nfs/dbraw/zinc/24/80/75/287248075.db2.gz ONBJKWLHYDCHQS-OAHLLOKOSA-N 1 0 270.367 3.031 10 0 CGAERO C[C@@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1ccncc1 ZINC000020121105 171000321 /nfs/dbraw/zinc/00/03/21/171000321.db2.gz QMRBCMRYNWNGRN-CQSZACIVSA-N 1 0 278.359 3.118 10 0 CGAERO c1nc2ccccc2n1CCC[NH2+]CCc1ccccc1 ZINC000020130219 171019295 /nfs/dbraw/zinc/01/92/95/171019295.db2.gz JKZXJZSDYWKTNW-UHFFFAOYSA-N 1 0 279.387 3.259 10 0 CGAERO C[C@H]1C[C@@H]1c1ccc(C[NH2+]CCCOC[C@@H]2CCCO2)o1 ZINC000020146605 171033046 /nfs/dbraw/zinc/03/30/46/171033046.db2.gz CAKLQPAIHVOFBV-BPUTZDHNSA-N 1 0 293.407 3.078 10 0 CGAERO Fc1cccc(C[NH2+]CCCOCc2ccco2)c1 ZINC000020146957 171033582 /nfs/dbraw/zinc/03/35/82/171033582.db2.gz PSWOYNOQYZYDIJ-UHFFFAOYSA-N 1 0 263.312 3.115 10 0 CGAERO C[C@H]([NH2+][C@@H](C)c1cccc(-n2cnnn2)c1)c1cccs1 ZINC000020148407 171036104 /nfs/dbraw/zinc/03/61/04/171036104.db2.gz KDGHKNRYMVWRHA-RYUDHWBXSA-N 1 0 299.403 3.136 10 0 CGAERO CC[N@H+](CCc1cccc(N)c1)Cc1ccccc1 ZINC000020192022 171058353 /nfs/dbraw/zinc/05/83/53/171058353.db2.gz CNYYHLIHXRVAPY-UHFFFAOYSA-N 1 0 254.377 3.333 10 0 CGAERO C=COCCC[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000020197163 171061364 /nfs/dbraw/zinc/06/13/64/171061364.db2.gz IFCMEGURUQYZBA-UHFFFAOYSA-N 1 0 259.271 3.345 10 0 CGAERO C=COCCC[NH2+]Cc1ccc(Br)cc1 ZINC000020197019 171061423 /nfs/dbraw/zinc/06/14/23/171061423.db2.gz LYCOHPRZSLDTJS-UHFFFAOYSA-N 1 0 270.170 3.089 10 0 CGAERO CN(Cc1cccc(F)c1)[C@H](C[NH3+])c1cccs1 ZINC000020225317 171087573 /nfs/dbraw/zinc/08/75/73/171087573.db2.gz SJKMYIBTKWJJNY-CYBMUJFWSA-N 1 0 264.369 3.019 10 0 CGAERO Cc1ccccc1[C@H](CN)[N@H+](C)CCc1ccccc1 ZINC000020225470 171088939 /nfs/dbraw/zinc/08/89/39/171088939.db2.gz KIULNOHISOHDIA-SFHVURJKSA-N 1 0 268.404 3.169 10 0 CGAERO Cc1ccccc1CN(C)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000020225649 171089109 /nfs/dbraw/zinc/08/91/09/171089109.db2.gz GXAZVZFOSOTCFY-QGZVFWFLSA-N 1 0 272.367 3.266 10 0 CGAERO [NH3+]CCCN(Cc1ccco1)c1ccccc1Cl ZINC000020237319 171096537 /nfs/dbraw/zinc/09/65/37/171096537.db2.gz XKNOBCCANZWPOI-UHFFFAOYSA-N 1 0 264.756 3.288 10 0 CGAERO Nc1cc(Cl)ccc1SCC[NH+]1CCCC1 ZINC000020254156 171107606 /nfs/dbraw/zinc/10/76/06/171107606.db2.gz ZKCDFNYTPRGBTB-UHFFFAOYSA-N 1 0 256.802 3.110 10 0 CGAERO Cc1nc(Cc2ccccc2Cl)sc1C[NH3+] ZINC000020273793 171131175 /nfs/dbraw/zinc/13/11/75/171131175.db2.gz ANXDOOWDTLOGKS-UHFFFAOYSA-N 1 0 252.770 3.154 10 0 CGAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C ZINC000020366131 171164854 /nfs/dbraw/zinc/16/48/54/171164854.db2.gz FXQNEWUDDKKINZ-RFGFWPKPSA-N 1 0 268.445 3.094 10 0 CGAERO CCCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000020366096 171164904 /nfs/dbraw/zinc/16/49/04/171164904.db2.gz IUKLMLLNIRANFR-LXTVHRRPSA-N 1 0 268.445 3.096 10 0 CGAERO COc1cc(OC)cc([C@@H]([NH3+])c2ccc(Cl)s2)c1 ZINC000020375082 171170181 /nfs/dbraw/zinc/17/01/81/171170181.db2.gz PCOSIFYACAKHJQ-CYBMUJFWSA-N 1 0 283.780 3.467 10 0 CGAERO CCC[C@H]([NH3+])c1cc(OC)c(OC)cc1Br ZINC000020426263 171192442 /nfs/dbraw/zinc/19/24/42/171192442.db2.gz UGCRSWBCEQUTTD-JTQLQIEISA-N 1 0 288.185 3.266 10 0 CGAERO Cc1cc([C@@H]([NH3+])Cc2nc3ccccc3o2)c(C)o1 ZINC000020427628 171193172 /nfs/dbraw/zinc/19/31/72/171193172.db2.gz SZSXAINEFGSBGD-LBPRGKRZSA-N 1 0 256.305 3.280 10 0 CGAERO [NH3+][C@H](Cc1ccccn1)c1cc2c(s1)CCCC2 ZINC000020428882 171194124 /nfs/dbraw/zinc/19/41/24/171194124.db2.gz SQYOFCKHIJNQQJ-CYBMUJFWSA-N 1 0 258.390 3.264 10 0 CGAERO [NH3+][C@H](Cc1ccccn1)c1cc(F)ccc1Br ZINC000020429181 171194674 /nfs/dbraw/zinc/19/46/74/171194674.db2.gz AINIDHUPZUPGGT-CYBMUJFWSA-N 1 0 295.155 3.226 10 0 CGAERO Cc1ccc(F)c(NC(=O)C[C@H]([NH3+])c2ccccc2)c1 ZINC000020471941 171214579 /nfs/dbraw/zinc/21/45/79/171214579.db2.gz PFIMSVYLCGVYLO-AWEZNQCLSA-N 1 0 272.323 3.163 10 0 CGAERO CCCOc1ccc(O[C@@H]2C[C@@H](C)CC[C@@H]2[NH3+])cc1 ZINC000020473903 171218118 /nfs/dbraw/zinc/21/81/18/171218118.db2.gz CIFADEGRINOAJQ-VBNZEHGJSA-N 1 0 263.381 3.370 10 0 CGAERO CCC(CC)[C@@H](C[NH2+][C@H](C)CC(C)(C)OC)N(C)C ZINC000020524771 171237850 /nfs/dbraw/zinc/23/78/50/171237850.db2.gz SQPLABWNOCWNPB-UKRRQHHQSA-N 1 0 272.477 3.146 10 0 CGAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000020545735 171243533 /nfs/dbraw/zinc/24/35/33/171243533.db2.gz OFXXYSUGJHCXEW-VBQJREDUSA-N 1 0 284.407 3.182 10 0 CGAERO Nc1c[nH+]ccc1Nc1ccc(Br)cc1F ZINC000020585217 171258719 /nfs/dbraw/zinc/25/87/19/171258719.db2.gz GJGPUFZPGXYZEU-UHFFFAOYSA-N 1 0 282.116 3.309 10 0 CGAERO C[NH2+]CCCNCc1ccccc1OCc1ccc(C)cc1 ZINC000020873671 171277179 /nfs/dbraw/zinc/27/71/79/171277179.db2.gz APMJEUCTOSXCMS-UHFFFAOYSA-N 1 0 298.430 3.273 10 0 CGAERO CCCOc1ccc2ccccc2c1C[NH2+]CCN(C)C ZINC000020967986 171282805 /nfs/dbraw/zinc/28/28/05/171282805.db2.gz HSMOXAPEJNTMNK-UHFFFAOYSA-N 1 0 286.419 3.280 10 0 CGAERO Nc1cc(NC(=O)CC[NH+]2CCCCCC2)ccc1Cl ZINC000022154183 171361329 /nfs/dbraw/zinc/36/13/29/171361329.db2.gz WPWVBRCTVDQNMS-UHFFFAOYSA-N 1 0 295.814 3.127 10 0 CGAERO C[C@@H](C(=O)Nc1cc(Cl)ccc1N)[N@@H+]1CCCC[C@@H]1C ZINC000022155738 171362608 /nfs/dbraw/zinc/36/26/08/171362608.db2.gz CNYDZDGINRZHRJ-QWRGUYRKSA-N 1 0 295.814 3.124 10 0 CGAERO CCN(c1ccccc1)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000022167323 171366309 /nfs/dbraw/zinc/36/63/09/171366309.db2.gz HXFNJXKCPXOJTP-MRXNPFEDSA-N 1 0 258.340 3.352 10 0 CGAERO CCCN(CCC)[C@H](C[NH3+])c1ccc(Br)o1 ZINC000022174982 171370116 /nfs/dbraw/zinc/37/01/16/171370116.db2.gz QIEJOZBKBFXDHG-SNVBAGLBSA-N 1 0 289.217 3.164 10 0 CGAERO CCCN(CCC)[C@@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000022176955 171370929 /nfs/dbraw/zinc/37/09/29/171370929.db2.gz QYSXPCIYTLKKBT-AWEZNQCLSA-N 1 0 256.340 3.087 10 0 CGAERO C[C@@H]([NH3+])c1ccccc1NC(=O)c1ccccc1F ZINC000022177207 171371026 /nfs/dbraw/zinc/37/10/26/171371026.db2.gz PPAWPKAURVZCLN-SNVBAGLBSA-N 1 0 258.296 3.098 10 0 CGAERO C[C@@H]1CCCCN1[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000022177000 171371118 /nfs/dbraw/zinc/37/11/18/171371118.db2.gz DHORVDQPVUBQDA-RISCZKNCSA-N 1 0 297.240 3.323 10 0 CGAERO NC[C@@H](c1ccc(-c2ccccc2)cc1)[NH+]1CCCC1 ZINC000022178402 171371395 /nfs/dbraw/zinc/37/13/95/171371395.db2.gz HEBOYMFCKIRWAL-SFHVURJKSA-N 1 0 266.388 3.449 10 0 CGAERO CN([C@@H](C[NH3+])c1c(F)cccc1F)C1CCCCC1 ZINC000022178648 171371924 /nfs/dbraw/zinc/37/19/24/171371924.db2.gz FMAXIZSNZRSPMZ-AWEZNQCLSA-N 1 0 268.351 3.229 10 0 CGAERO CN([C@@H](C[NH3+])c1ccc(F)cc1F)C1CCCCC1 ZINC000022215772 171375228 /nfs/dbraw/zinc/37/52/28/171375228.db2.gz SJNZXWPXOAOSKJ-HNNXBMFYSA-N 1 0 268.351 3.229 10 0 CGAERO CC[N@H+](CC(=O)Nc1cc(N)ccc1C)C1CCCCC1 ZINC000022218626 171376654 /nfs/dbraw/zinc/37/66/54/171376654.db2.gz BREANYYFGFZWAD-UHFFFAOYSA-N 1 0 289.423 3.170 10 0 CGAERO C[C@@H]([NH3+])c1cccc(NC(=O)CCc2ccccc2)c1 ZINC000022219548 171377492 /nfs/dbraw/zinc/37/74/92/171377492.db2.gz ZQZGWAITWOAIQQ-CYBMUJFWSA-N 1 0 268.360 3.278 10 0 CGAERO C[C@@H]1CCCN([C@@H](C[NH3+])c2cccc(Br)c2)C1 ZINC000022221844 171378491 /nfs/dbraw/zinc/37/84/91/171378491.db2.gz LJTFRZGTUAYHNR-RISCZKNCSA-N 1 0 297.240 3.181 10 0 CGAERO Cc1cc(C(=O)Nc2cccc([C@H](C)[NH3+])c2)c(C)o1 ZINC000022223365 171379060 /nfs/dbraw/zinc/37/90/60/171379060.db2.gz HDAZCXJLEZCCBO-JTQLQIEISA-N 1 0 258.321 3.168 10 0 CGAERO [NH3+][C@@H](COCC(F)(F)F)c1ccc2ccccc2c1 ZINC000022562533 171391446 /nfs/dbraw/zinc/39/14/46/171391446.db2.gz SNDRPIQYURJEPZ-ZDUSSCGKSA-N 1 0 269.266 3.419 10 0 CGAERO COc1ccccc1OC[C@@H]([NH3+])c1ccccc1C ZINC000022565006 171391742 /nfs/dbraw/zinc/39/17/42/171391742.db2.gz HPQIGERYMQYDLI-CQSZACIVSA-N 1 0 257.333 3.082 10 0 CGAERO CCC[NH+](CCC)[C@@H](C)[C@@H](N)c1ccc(OC)cc1 ZINC000022564311 171391812 /nfs/dbraw/zinc/39/18/12/171391812.db2.gz KSSWDBXMGVJCNF-XJKSGUPXSA-N 1 0 264.413 3.206 10 0 CGAERO COc1ccc([C@H]([NH3+])[C@H](C)Oc2ccccc2F)cc1 ZINC000022567217 171392340 /nfs/dbraw/zinc/39/23/40/171392340.db2.gz NCPNGHHPSWLNTJ-MEDUHNTESA-N 1 0 275.323 3.302 10 0 CGAERO COc1cccc([C@H]([NH3+])COc2ccccc2Cl)c1 ZINC000031899170 171656577 /nfs/dbraw/zinc/65/65/77/171656577.db2.gz KEMOQGRUZQWJQR-CQSZACIVSA-N 1 0 277.751 3.427 10 0 CGAERO CC[C@@H](C)N(CC[NH3+])Cc1c(F)cccc1Cl ZINC000032110807 171702924 /nfs/dbraw/zinc/70/29/24/171702924.db2.gz OEWUQIQSEPYMKB-SNVBAGLBSA-N 1 0 258.768 3.038 10 0 CGAERO CC(C)[NH2+]C[C@H](O)c1sc(Cl)cc1Cl ZINC000033829482 171822103 /nfs/dbraw/zinc/82/21/03/171822103.db2.gz FXEIWSOQYYFDEK-ZETCQYMHSA-N 1 0 254.182 3.086 10 0 CGAERO CCC[NH2+][C@H](CC)c1ccc(OCCOC)cc1 ZINC000034822838 171876403 /nfs/dbraw/zinc/87/64/03/171876403.db2.gz GPPLIAOIWCNWPH-OAHLLOKOSA-N 1 0 251.370 3.163 10 0 CGAERO C[C@H]([NH2+][C@H]1CCc2ccccc21)C(=O)NC1CCCCC1 ZINC000035180583 172034393 /nfs/dbraw/zinc/03/43/93/172034393.db2.gz KVIZHKNXRTVEHR-GUYCJALGSA-N 1 0 286.419 3.101 10 0 CGAERO CCc1ccc([C@H]([NH3+])CN(C)Cc2ccccc2)cc1 ZINC000035206607 172050653 /nfs/dbraw/zinc/05/06/53/172050653.db2.gz SDOQHHYXHBXVQX-GOSISDBHSA-N 1 0 268.404 3.381 10 0 CGAERO CCC(CC)NC(=O)[C@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC000035221880 172064549 /nfs/dbraw/zinc/06/45/49/172064549.db2.gz MPHKZTRDZZZNQP-GUYCJALGSA-N 1 0 288.435 3.347 10 0 CGAERO CCN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CCSc2ccccc21 ZINC000035224762 172069389 /nfs/dbraw/zinc/06/93/89/172069389.db2.gz PLMOJLSBLSJLMZ-GXTWGEPZSA-N 1 0 292.448 3.070 10 0 CGAERO FC(F)(F)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccn1 ZINC000035258157 172089604 /nfs/dbraw/zinc/08/96/04/172089604.db2.gz SVHQAENCRSINRP-RYUDHWBXSA-N 1 0 258.287 3.292 10 0 CGAERO CC[N@H+](Cc1ccccc1N)Cc1ccccc1F ZINC000035364602 172153604 /nfs/dbraw/zinc/15/36/04/172153604.db2.gz APGUXVDMRLEWOI-UHFFFAOYSA-N 1 0 258.340 3.430 10 0 CGAERO COc1ccc(F)cc1[C@@H]([NH3+])c1cc2c(s1)CCC2 ZINC000035381488 172164376 /nfs/dbraw/zinc/16/43/76/172164376.db2.gz UWFPMEZQOJMWRK-OAHLLOKOSA-N 1 0 277.364 3.433 10 0 CGAERO CC[C@H](C)N(C)c1nc2sccn2c1C[NH2+]C(C)C ZINC000035430193 172199365 /nfs/dbraw/zinc/19/93/65/172199365.db2.gz IXFGLKOOBGICND-NSHDSACASA-N 1 0 280.441 3.129 10 0 CGAERO C[NH2+][C@@H](c1cc(Br)ccc1OC)C(C)C ZINC000035456142 172206744 /nfs/dbraw/zinc/20/67/44/172206744.db2.gz JKCYJDBRFICHQC-GFCCVEGCSA-N 1 0 272.186 3.374 10 0 CGAERO C[NH2+][C@H](c1ccc(F)cc1)c1cncc(Br)c1 ZINC000035463625 172211730 /nfs/dbraw/zinc/21/17/30/172211730.db2.gz KGPIWNXHRGQXHH-CYBMUJFWSA-N 1 0 295.155 3.292 10 0 CGAERO C[NH2+][C@H](c1ccccc1)c1c(OC)cccc1OC ZINC000035465470 172213022 /nfs/dbraw/zinc/21/30/22/172213022.db2.gz UVIGYYYPOCXQOX-MRXNPFEDSA-N 1 0 257.333 3.013 10 0 CGAERO C[NH2+][C@@H](c1cc2c(cc1Cl)OCCO2)C1CCC1 ZINC000035501412 172235463 /nfs/dbraw/zinc/23/54/63/172235463.db2.gz ZESKQWROYRHZSW-CQSZACIVSA-N 1 0 267.756 3.172 10 0 CGAERO C[NH2+][C@@H](c1ccoc1C)c1ccc2c(c1)C[C@H](C)O2 ZINC000035504454 172238162 /nfs/dbraw/zinc/23/81/62/172238162.db2.gz CWTCJCSPFSVUJJ-MGPLVRAMSA-N 1 0 257.333 3.220 10 0 CGAERO CC[C@@H](C)[C@@H]([NH2+]C)c1cc2c(cc1Cl)NC(=O)C2 ZINC000035507264 172240206 /nfs/dbraw/zinc/24/02/06/172240206.db2.gz VMLUBKDJFKRLMV-XLKFXECMSA-N 1 0 266.772 3.141 10 0 CGAERO CC[NH2+][C@@H](c1ccsc1)c1ccc(OC)cc1OC ZINC000035545953 172254037 /nfs/dbraw/zinc/25/40/37/172254037.db2.gz XTDRXDPNNWNSDH-HNNXBMFYSA-N 1 0 277.389 3.464 10 0 CGAERO CC[NH2+][C@@H](c1cnn(C)c1)c1ccc(Cl)cc1Cl ZINC000035555577 172262089 /nfs/dbraw/zinc/26/20/89/172262089.db2.gz ORJURNFYOADCIA-ZDUSSCGKSA-N 1 0 284.190 3.426 10 0 CGAERO CC[NH2+][C@@H](C)c1cc2c(cc1Cl)OCCCO2 ZINC000035557347 172262350 /nfs/dbraw/zinc/26/23/50/172262350.db2.gz PRJCSWZTLFAIGF-VIFPVBQESA-N 1 0 255.745 3.172 10 0 CGAERO CC[NH2+][C@@H](CC)c1cc2c(cc1Cl)OCCO2 ZINC000035557721 172263510 /nfs/dbraw/zinc/26/35/10/172263510.db2.gz LLYSTGNRAHJLPE-NSHDSACASA-N 1 0 255.745 3.172 10 0 CGAERO C[NH2+][C@@H](C)c1cc(F)ccc1N(C)Cc1ccco1 ZINC000035702238 172370081 /nfs/dbraw/zinc/37/00/81/172370081.db2.gz KARHUTFCXLGUMI-NSHDSACASA-N 1 0 262.328 3.336 10 0 CGAERO C[C@@H]1C[C@H](C)CN([C@@H](C[NH3+])c2ccc(Cl)s2)C1 ZINC000036906815 172795369 /nfs/dbraw/zinc/79/53/69/172795369.db2.gz SJSUKNHPYICYIJ-AXFHLTTASA-N 1 0 272.845 3.379 10 0 CGAERO [NH3+]C[C@@H](Oc1ccc2ccccc2c1)C(F)(F)F ZINC000037170004 173004079 /nfs/dbraw/zinc/00/40/79/173004079.db2.gz QRDAFTNTGPYDCZ-GFCCVEGCSA-N 1 0 255.239 3.108 10 0 CGAERO [NH3+]CC[C@@H](Oc1ccc(C(F)(F)F)cc1)C(F)(F)F ZINC000037179499 173012854 /nfs/dbraw/zinc/01/28/54/173012854.db2.gz WZKZCEBKCVIUCR-SECBINFHSA-N 1 0 287.203 3.364 10 0 CGAERO C[C@H]([NH2+][C@H]1CN2CCC1CC2)c1ccc(F)cc1Cl ZINC000037211710 173032535 /nfs/dbraw/zinc/03/25/35/173032535.db2.gz DOSJWIJSXPSSPA-BONVTDFDSA-N 1 0 282.790 3.224 10 0 CGAERO CCN1CCC[C@H]1C[NH2+][C@@H]1CSCc2ccccc21 ZINC000037213950 173034162 /nfs/dbraw/zinc/03/41/62/173034162.db2.gz GIAHGEFPOLXGPN-GOEBONIOSA-N 1 0 276.449 3.048 10 0 CGAERO CCN1CCC[C@@H]1C[NH2+][C@@H]1CSCc2ccccc21 ZINC000037213949 173034276 /nfs/dbraw/zinc/03/42/76/173034276.db2.gz GIAHGEFPOLXGPN-GDBMZVCRSA-N 1 0 276.449 3.048 10 0 CGAERO COc1ccc([C@H](C)[NH2+]Cc2ccncc2)c(F)c1 ZINC000037232081 173051262 /nfs/dbraw/zinc/05/12/62/173051262.db2.gz WHCHJIKCBLGZGH-NSHDSACASA-N 1 0 260.312 3.080 10 0 CGAERO Cc1cc(C)c([C@H](C)[NH2+]CCCOC(C)C)c(C)n1 ZINC000037239772 173057222 /nfs/dbraw/zinc/05/72/22/173057222.db2.gz MYYYSBBVFSPMQF-AWEZNQCLSA-N 1 0 264.413 3.473 10 0 CGAERO Cc1cc(C)c([C@H](C)[NH2+]C2CCN(C)CC2)c(C)c1 ZINC000037267108 173077269 /nfs/dbraw/zinc/07/72/69/173077269.db2.gz YYFPMWXZPJJXJH-HNNXBMFYSA-N 1 0 260.425 3.357 10 0 CGAERO CC(C)c1ccc([C@H](C)[NH2+]C2CCN(C(N)=O)CC2)cc1 ZINC000037295372 173099492 /nfs/dbraw/zinc/09/94/92/173099492.db2.gz HHXGCQLNITVHEO-ZDUSSCGKSA-N 1 0 289.423 3.004 10 0 CGAERO CC[N@@H+]1CCC[C@@H]1Cn1c2cccc(F)c2[nH]c1=S ZINC000037422260 173198434 /nfs/dbraw/zinc/19/84/34/173198434.db2.gz UXXTXMXYMGWUPW-SNVBAGLBSA-N 1 0 279.384 3.322 10 0 CGAERO Fc1ccc2c(c1)nc([C@H]1CCCC[NH2+]1)n2C1CC1 ZINC000037439890 173209622 /nfs/dbraw/zinc/20/96/22/173209622.db2.gz ZUDCQDNOXNKKGL-GFCCVEGCSA-N 1 0 259.328 3.325 10 0 CGAERO CC[C@H](C)[C@H]([NH3+])c1nc2cc(Cl)ccc2n1C ZINC000037440278 173210610 /nfs/dbraw/zinc/21/06/10/173210610.db2.gz YRROOHRCFIEEFW-UFBFGSQYSA-N 1 0 251.761 3.273 10 0 CGAERO COc1ccccc1[C@@]1([NH3+])CCCc2ccccc21 ZINC000037529477 173252899 /nfs/dbraw/zinc/25/28/99/173252899.db2.gz SAEGSLHQFFNEER-QGZVFWFLSA-N 1 0 253.345 3.234 10 0 CGAERO CCC[NH2+][C@@H](Cc1ccccc1F)C[C@@H]1CCCO1 ZINC000037535281 173254438 /nfs/dbraw/zinc/25/44/38/173254438.db2.gz LGVZHKXJFOTMRE-GJZGRUSLSA-N 1 0 265.372 3.306 10 0 CGAERO CCCCCN(CCCCC)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000037814439 173762306 /nfs/dbraw/zinc/76/23/06/173762306.db2.gz PDJGWBBWOZQCSZ-OAHLLOKOSA-N 1 0 268.445 3.195 10 0 CGAERO c1c(C[NH2+]C[C@H]2CCCO2)sc2c1CCCCC2 ZINC000037927501 173865886 /nfs/dbraw/zinc/86/58/86/173865886.db2.gz SEUKWAOXXGDIOU-CYBMUJFWSA-N 1 0 265.422 3.286 10 0 CGAERO CC(C)(C)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2O)s1 ZINC000127269466 287284002 /nfs/dbraw/zinc/28/40/02/287284002.db2.gz FSWFQIIQQPMHNZ-OLZOCXBDSA-N 1 0 267.438 3.439 10 0 CGAERO CCOC(=O)[C@](CC)(C[C@@H](C)CC)[NH2+]CC(C)C ZINC000037966184 173911943 /nfs/dbraw/zinc/91/19/43/173911943.db2.gz WOXCAUMUSRPMQX-ZFWWWQNUSA-N 1 0 257.418 3.380 10 0 CGAERO C[C@H](C[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1)N1CCCCC1 ZINC000038028355 174016089 /nfs/dbraw/zinc/01/60/89/174016089.db2.gz LSYKQFVCZWTFDO-LZWOXQAQSA-N 1 0 276.424 3.367 10 0 CGAERO Cc1ccc(C[N@@H+]2CCc3c(N)cccc3C2)s1 ZINC000038032545 174028468 /nfs/dbraw/zinc/02/84/68/174028468.db2.gz WGTZPJVSPPUNEU-UHFFFAOYSA-N 1 0 258.390 3.197 10 0 CGAERO CC[NH+](CC)CCC[C@@H](C)Nc1c(F)cc(N)cc1F ZINC000038039898 174039587 /nfs/dbraw/zinc/03/95/87/174039587.db2.gz LTUAUNABLUYORB-LLVKDONJSA-N 1 0 285.382 3.469 10 0 CGAERO Clc1ccc2scnc2c1NC1CC[NH2+]CC1 ZINC000038040913 174040874 /nfs/dbraw/zinc/04/08/74/174040874.db2.gz RJSWNUGBTIZTES-UHFFFAOYSA-N 1 0 267.785 3.114 10 0 CGAERO CC[NH2+]Cc1c(Cl)cccc1-n1cc(Cl)cn1 ZINC000038053841 174065308 /nfs/dbraw/zinc/06/53/08/174065308.db2.gz ZGSXCHVSHJLGJH-UHFFFAOYSA-N 1 0 270.163 3.289 10 0 CGAERO Cc1cc(C)cc(CC2([NH3+])Cc3ccccc3C2)c1 ZINC000038077109 174087639 /nfs/dbraw/zinc/08/76/39/174087639.db2.gz RBYDRNSYCOWRNE-UHFFFAOYSA-N 1 0 251.373 3.342 10 0 CGAERO C[C@H](NC(=O)C1CCC([NH3+])CC1)c1cccc(Cl)c1 ZINC000038092743 174106741 /nfs/dbraw/zinc/10/67/41/174106741.db2.gz KUIQRSOBEJFMNI-IFQILLTASA-N 1 0 280.799 3.035 10 0 CGAERO C[C@@H](c1cccc(Cl)c1)N(C)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000038101351 174116990 /nfs/dbraw/zinc/11/69/90/174116990.db2.gz PWNRGCCXKLOGBB-FZMZJTMJSA-N 1 0 280.799 3.002 10 0 CGAERO CC[NH2+][C@H](Cc1ccc(OC)cc1)c1ccc(C)o1 ZINC000038133496 174132637 /nfs/dbraw/zinc/13/26/37/174132637.db2.gz OJQTVHNQQLGESK-OAHLLOKOSA-N 1 0 259.349 3.490 10 0 CGAERO CCCOc1c(C[NH2+]CC)cc(Cl)cc1OC ZINC000040722186 174385500 /nfs/dbraw/zinc/38/55/00/174385500.db2.gz NPTVNAWYCWSWDW-UHFFFAOYSA-N 1 0 257.761 3.247 10 0 CGAERO C[NH2+]C[C@H](C)c1nc(-c2ccc(F)cc2)cs1 ZINC000041306074 174514844 /nfs/dbraw/zinc/51/48/44/174514844.db2.gz PIENMZQIZQSYRA-VIFPVBQESA-N 1 0 250.342 3.272 10 0 CGAERO C[NH2+]C[C@@H](c1ccc(OC)c(OC)c1)C1CCCC1 ZINC000041356908 174535187 /nfs/dbraw/zinc/53/51/87/174535187.db2.gz QNHJCUFQAFZLCJ-CQSZACIVSA-N 1 0 263.381 3.197 10 0 CGAERO CCC[NH2+]Cc1ccccc1N(C)Cc1cscn1 ZINC000042867240 174895724 /nfs/dbraw/zinc/89/57/24/174895724.db2.gz INDAJUZZQRBLHW-UHFFFAOYSA-N 1 0 275.421 3.279 10 0 CGAERO CCCCOCCO[C@@H](c1ccc(C)cc1)[C@H](C)[NH3+] ZINC000042911364 174910679 /nfs/dbraw/zinc/91/06/79/174910679.db2.gz JAIOUUKWQVGQQI-GOEBONIOSA-N 1 0 265.397 3.217 10 0 CGAERO CC[C@H]([NH3+])[C@H](OCCOC(C)C)c1cccc(C)c1 ZINC000042968541 174932536 /nfs/dbraw/zinc/93/25/36/174932536.db2.gz ASWRVATZOGTHIU-JKSUJKDBSA-N 1 0 265.397 3.215 10 0 CGAERO CC(C)CN(C)[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043091327 174964134 /nfs/dbraw/zinc/96/41/34/174964134.db2.gz VKBPNDMCFNMPQN-BXUZGUMPSA-N 1 0 299.256 3.425 10 0 CGAERO COc1ccc(CC[NH2+]Cc2ccc(O)c(Cl)c2)cc1 ZINC000043476719 175054535 /nfs/dbraw/zinc/05/45/35/175054535.db2.gz RZDUVEKSTBWEPN-UHFFFAOYSA-N 1 0 291.778 3.387 10 0 CGAERO Cc1ccnc(NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC000043561589 175066452 /nfs/dbraw/zinc/06/64/52/175066452.db2.gz UZIBPNKGUZAJFO-GDBMZVCRSA-N 1 0 261.413 3.312 10 0 CGAERO CC[C@@H](Cc1cc(Br)cs1)[C@H](C)[NH3+] ZINC000043688073 175094891 /nfs/dbraw/zinc/09/48/91/175094891.db2.gz JNXUPOYHTWOEJO-YUMQZZPRSA-N 1 0 262.216 3.427 10 0 CGAERO FC(F)Sc1ccc(N[C@@H]2CCC[NH2+]C2)cc1 ZINC000044418943 175173287 /nfs/dbraw/zinc/17/32/87/175173287.db2.gz CVZOOROFURUDOI-SNVBAGLBSA-N 1 0 258.337 3.165 10 0 CGAERO COc1ccccc1C[NH2+][C@H]1C[C@H]1c1ccccc1 ZINC000044423846 175174261 /nfs/dbraw/zinc/17/42/61/175174261.db2.gz JYSZLOJJRAJVHI-HOTGVXAUSA-N 1 0 253.345 3.341 10 0 CGAERO CC[NH2+]Cc1sc(-c2cccc(OC)c2)nc1C ZINC000045205712 175327583 /nfs/dbraw/zinc/32/75/83/175327583.db2.gz RYQCZOMQWRTJGI-UHFFFAOYSA-N 1 0 262.378 3.237 10 0 CGAERO CCCn1cc(C[NH2+]C[C@@H]2CCCO2)c2ccccc21 ZINC000045945203 175387713 /nfs/dbraw/zinc/38/77/13/175387713.db2.gz GQYLHCUDGYUPNX-HNNXBMFYSA-N 1 0 272.392 3.320 10 0 CGAERO Cc1ccc(Cn2cc(C[NH2+]CCO)c3ccccc32)cc1 ZINC000057353131 175594014 /nfs/dbraw/zinc/59/40/14/175594014.db2.gz DSMZIZWNHQQDFI-UHFFFAOYSA-N 1 0 294.398 3.080 10 0 CGAERO CCC[NH2+][C@@H]1CCC[C@@H]1Oc1cc(F)ccc1F ZINC000071167683 176049426 /nfs/dbraw/zinc/04/94/26/176049426.db2.gz OCDXQXUWAGKUEN-OLZOCXBDSA-N 1 0 255.308 3.264 10 0 CGAERO CCCN([C@@H](CC)c1cccs1)[C@H]1CC[NH2+]C1 ZINC000071314976 176121434 /nfs/dbraw/zinc/12/14/34/176121434.db2.gz QKTLAXKUJHVIOI-STQMWFEESA-N 1 0 252.427 3.273 10 0 CGAERO COc1cc(C(C)C)ccc1[C@@H](O)[C@H](C)[NH2+]C(C)C ZINC000071598071 176221698 /nfs/dbraw/zinc/22/16/98/176221698.db2.gz UOSRZALPGULPSP-LRDDRELGSA-N 1 0 265.397 3.239 10 0 CGAERO C[NH2+][C@@H](C(C)C)[C@H](O)c1ccc(C(C)C)cc1OC ZINC000071598075 176221734 /nfs/dbraw/zinc/22/17/34/176221734.db2.gz SCJKHJPAHIISHL-JKSUJKDBSA-N 1 0 265.397 3.096 10 0 CGAERO CC[NH2+][C@H](C(=O)c1ccc(OC)cc1Cl)C(C)C ZINC000071601144 176227578 /nfs/dbraw/zinc/22/75/78/176227578.db2.gz MLPBFOZIKLUUDR-ZDUSSCGKSA-N 1 0 269.772 3.165 10 0 CGAERO CCOc1ccc([C@H](O)[C@H]([NH2+]C)C(C)C)cc1Cl ZINC000071611275 176231656 /nfs/dbraw/zinc/23/16/56/176231656.db2.gz MLDCIMIIQDCRPT-KGLIPLIRSA-N 1 0 271.788 3.016 10 0 CGAERO COc1cc(Cl)c([C@@H](O)[C@H]2CCC[NH2+]C2)cc1Cl ZINC000071646293 176239907 /nfs/dbraw/zinc/23/99/07/176239907.db2.gz LVWGOJYXLCWLMI-SDBXPKJASA-N 1 0 290.190 3.035 10 0 CGAERO Cc1c([C@@H](C)[NH3+])cnn1-c1ccc(OC(F)(F)F)cc1 ZINC000072415954 176399310 /nfs/dbraw/zinc/39/93/10/176399310.db2.gz HZSLCYSNINANCF-MRVPVSSYSA-N 1 0 285.269 3.099 10 0 CGAERO CC(C)[NH2+][C@H]1CCN(C(=O)OCc2ccccc2)[C@@H](C)C1 ZINC000073657104 176483826 /nfs/dbraw/zinc/48/38/26/176483826.db2.gz WJBBBCILADERDP-HOCLYGCPSA-N 1 0 290.407 3.174 10 0 CGAERO [NH3+]CC1(C(=O)Nc2cccc(Cl)c2)CCCCC1 ZINC000076375619 177011337 /nfs/dbraw/zinc/01/13/37/177011337.db2.gz ACRVWWOYGGMNHY-UHFFFAOYSA-N 1 0 266.772 3.188 10 0 CGAERO COc1ccc(CCC(C)(C)C[NH3+])cc1Br ZINC000076497750 177029663 /nfs/dbraw/zinc/02/96/63/177029663.db2.gz VQWXNKRXVUOCFK-UHFFFAOYSA-N 1 0 286.213 3.375 10 0 CGAERO COc1ccc([C@@H](C[NH3+])CC(C)C)c(OC)c1C ZINC000076656022 177045730 /nfs/dbraw/zinc/04/57/30/177045730.db2.gz WIYPXKRIERRJFG-GFCCVEGCSA-N 1 0 251.370 3.101 10 0 CGAERO Cn1cccc1[C@@H](CC[NH3+])CCc1cccc(F)c1 ZINC000076670872 177053618 /nfs/dbraw/zinc/05/36/18/177053618.db2.gz DROHFPSTLHBKAI-CQSZACIVSA-N 1 0 260.356 3.229 10 0 CGAERO CCc1cccc(C)c1NC(=O)C[C@H](C[NH3+])C(C)C ZINC000076675734 177055951 /nfs/dbraw/zinc/05/59/51/177055951.db2.gz GQTWDRGLBNCNOQ-CQSZACIVSA-N 1 0 262.397 3.117 10 0 CGAERO Cc1ccc(NC(=O)CC[C@@H](C[NH3+])C(C)C)cc1C ZINC000076676046 177055952 /nfs/dbraw/zinc/05/59/52/177055952.db2.gz NMZKKMFBABLETM-AWEZNQCLSA-N 1 0 262.397 3.253 10 0 CGAERO CC(C)c1ccc(NC(=O)C[C@@H](C[NH3+])C(C)C)cc1 ZINC000076675742 177055991 /nfs/dbraw/zinc/05/59/91/177055991.db2.gz GRQQSFIZMGOENG-AWEZNQCLSA-N 1 0 262.397 3.370 10 0 CGAERO Cc1ccc(NC(=O)C[C@H](C[NH3+])CC(C)C)c(C)c1 ZINC000076675686 177056032 /nfs/dbraw/zinc/05/60/32/177056032.db2.gz MLFOTDLZQIIDRK-CQSZACIVSA-N 1 0 262.397 3.253 10 0 CGAERO Cc1ccc(NC(=O)CC[C@@H](C[NH3+])C(C)C)c(C)c1 ZINC000076676027 177056098 /nfs/dbraw/zinc/05/60/98/177056098.db2.gz QPKDIASQXJPFSA-AWEZNQCLSA-N 1 0 262.397 3.253 10 0 CGAERO CC(C)[C@@H](CCC[NH3+])C(=O)Nc1ccccc1Cl ZINC000076706004 177065376 /nfs/dbraw/zinc/06/53/76/177065376.db2.gz PDRWHLFFFBESKJ-LLVKDONJSA-N 1 0 268.788 3.290 10 0 CGAERO CCC[C@H](CC[NH3+])C(=O)Nc1ccc(Cl)cc1C ZINC000076705935 177065505 /nfs/dbraw/zinc/06/55/05/177065505.db2.gz UCNRFVMIVTWVDP-LLVKDONJSA-N 1 0 268.788 3.352 10 0 CGAERO CC[NH2+]CCc1csc(N(C)c2ccccc2)n1 ZINC000076785121 177092390 /nfs/dbraw/zinc/09/23/90/177092390.db2.gz BTKOQZRENXYBSX-UHFFFAOYSA-N 1 0 261.394 3.063 10 0 CGAERO C[C@H](NC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)c1ccccc1Cl ZINC000407263888 416558000 /nfs/dbraw/zinc/55/80/00/416558000.db2.gz LSAORSANPQRLHD-LKTVYLICSA-N 1 0 292.810 3.048 10 0 CGAERO CCCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000119346968 416500001 /nfs/dbraw/zinc/50/00/01/416500001.db2.gz POVWBIDYHFCGBE-RYUDHWBXSA-N 1 0 298.377 3.310 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000130569838 287358187 /nfs/dbraw/zinc/35/81/87/287358187.db2.gz LBBOYZYJBUWPGM-NVXWUHKLSA-N 1 0 278.415 3.379 10 0 CGAERO CC(C)CN1CCC[C@@H]1C[NH2+]Cc1cccc2[nH]ccc21 ZINC000130793232 287363568 /nfs/dbraw/zinc/36/35/68/287363568.db2.gz XTYWILZSQLAMDJ-MRXNPFEDSA-N 1 0 285.435 3.378 10 0 CGAERO Cc1ccsc1C[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000131873170 287391525 /nfs/dbraw/zinc/39/15/25/287391525.db2.gz WFUSJINRADGOSZ-CYBMUJFWSA-N 1 0 261.394 3.127 10 0 CGAERO Cc1cc(F)cc(C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000135241003 287464814 /nfs/dbraw/zinc/46/48/14/287464814.db2.gz FVALYMHKSQCBLX-LLVKDONJSA-N 1 0 272.323 3.406 10 0 CGAERO OCC1CC([NH2+][C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000658350726 418946516 /nfs/dbraw/zinc/94/65/16/418946516.db2.gz HLXKEYNZZWJSGA-OCTTZUBCSA-N 1 0 283.824 3.237 10 0 CGAERO C[C@@H]([NH2+]C1CC(CO)C1)c1cccc(C(F)(F)F)c1 ZINC000658351913 418947303 /nfs/dbraw/zinc/94/73/03/418947303.db2.gz QTKQJXKVZFEOKN-TTXORMCVSA-N 1 0 273.298 3.127 10 0 CGAERO CC1(C)CC(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)CC(C)(C)C1 ZINC000659345883 418979597 /nfs/dbraw/zinc/97/95/97/418979597.db2.gz VFDHZFWBSFJJPQ-KBPBESRZSA-N 1 0 280.456 3.083 10 0 CGAERO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[C@H](C)SC2)C[C@H](C)O1 ZINC000655764355 419090999 /nfs/dbraw/zinc/09/09/99/419090999.db2.gz ZIYBFDOPBXUEPT-ZUWCUPBKSA-N 1 0 257.443 3.064 10 0 CGAERO CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CO[C@H](CC)C1 ZINC000657336931 419253660 /nfs/dbraw/zinc/25/36/60/419253660.db2.gz AXQGNKMMRKAHJR-MELADBBJSA-N 1 0 263.381 3.303 10 0 CGAERO O[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@H](C3CCCCC3)C2)C1 ZINC000661577798 419274625 /nfs/dbraw/zinc/27/46/25/419274625.db2.gz FWLQVAZVBOFXRY-HYVNUMGLSA-N 1 0 265.441 3.440 10 0 CGAERO O[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@@H](C3CCCCC3)C2)C1 ZINC000661577797 419275184 /nfs/dbraw/zinc/27/51/84/419275184.db2.gz FWLQVAZVBOFXRY-DJIMGWMZSA-N 1 0 265.441 3.440 10 0 CGAERO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)CO1 ZINC000657501243 419295659 /nfs/dbraw/zinc/29/56/59/419295659.db2.gz UTNYKCBMWILUDJ-WHOHXGKFSA-N 1 0 265.319 3.265 10 0 CGAERO Cc1nc([C@H](C)[NH2+][C@@H]2CCCSCC2)cs1 ZINC000657878802 419400706 /nfs/dbraw/zinc/40/07/06/419400706.db2.gz HOBSHHIHXSZNOV-GXSJLCMTSA-N 1 0 256.440 3.388 10 0 CGAERO c1ccc2c(c1)OCC[C@H]2[NH2+][C@H]1CCCSCC1 ZINC000657818378 419367483 /nfs/dbraw/zinc/36/74/83/419367483.db2.gz ANKNJKYQASEFNJ-GXTWGEPZSA-N 1 0 263.406 3.386 10 0 CGAERO CN(C)C[C@@H]([NH2+][C@@H]1CCCSCC1)c1ccccc1 ZINC000657826798 419374160 /nfs/dbraw/zinc/37/41/60/419374160.db2.gz KWRCCJFFEZPVBZ-HZPDHXFCSA-N 1 0 278.465 3.165 10 0 CGAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000191152575 287588070 /nfs/dbraw/zinc/58/80/70/287588070.db2.gz MSAZLGSCXNRJOS-AEFFLSMTSA-N 1 0 289.419 3.116 10 0 CGAERO CCc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2CO)cc1 ZINC000223848613 287631272 /nfs/dbraw/zinc/63/12/72/287631272.db2.gz RCLJWTOVLAIPEC-IAOVAPTHSA-N 1 0 261.409 3.451 10 0 CGAERO CC(C)[C@H](C)NC(=O)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000042313680 270032131 /nfs/dbraw/zinc/03/21/31/270032131.db2.gz QTPCJERONOHDLI-RYUDHWBXSA-N 1 0 282.815 3.151 10 0 CGAERO CCCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1C ZINC000042337291 270032629 /nfs/dbraw/zinc/03/26/29/270032629.db2.gz QCERMGLDFOCLBO-CABCVRRESA-N 1 0 276.424 3.341 10 0 CGAERO CC(C)(C)c1ccccc1NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085360843 270043441 /nfs/dbraw/zinc/04/34/41/270043441.db2.gz UJHTVQMTSULXFV-DGCLKSJQSA-N 1 0 260.381 3.050 10 0 CGAERO OC[C@@H]1CCCC[C@@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000183716224 270056033 /nfs/dbraw/zinc/05/60/33/270056033.db2.gz WUDGUOSWDNCGGA-YIOUJQMASA-N 1 0 293.373 3.496 10 0 CGAERO [NH3+][C@@H](CF)c1cc(Br)ccc1Cl ZINC000238572428 265367953 /nfs/dbraw/zinc/36/79/53/265367953.db2.gz LJTLZTNPOCAWHR-QMMMGPOBSA-N 1 0 252.514 3.072 10 0 CGAERO CCO[C@@H]1C[C@@H]([NH2+]CC2(CC(C)C)CC2)C12CCOCC2 ZINC000186418629 270066027 /nfs/dbraw/zinc/06/60/27/270066027.db2.gz PUYVUKWZHBFESA-HZPDHXFCSA-N 1 0 295.467 3.377 10 0 CGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C/C=C\c1ccc(F)cc1 ZINC000255711672 274375332 /nfs/dbraw/zinc/37/53/32/274375332.db2.gz RHOYZSMOPWSHRK-VLCHRTTJSA-N 1 0 274.383 3.007 10 0 CGAERO [NH3+][C@@H]1CCCC[C@H]1Nc1ncc(C(F)(F)F)cc1Cl ZINC000038051019 274956050 /nfs/dbraw/zinc/95/60/50/274956050.db2.gz XJZMIMXUHYJTGO-NXEZZACHSA-N 1 0 293.720 3.436 10 0 CGAERO [NH3+][C@H]1CCCC[C@@H]1Nc1ncc(C(F)(F)F)cc1Cl ZINC000038051018 274961774 /nfs/dbraw/zinc/96/17/74/274961774.db2.gz XJZMIMXUHYJTGO-UWVGGRQHSA-N 1 0 293.720 3.436 10 0 CGAERO [NH3+][C@H]1CCCc2c1cnn2-c1ccc(C(F)(F)F)cc1 ZINC000066055262 274962911 /nfs/dbraw/zinc/96/29/11/274962911.db2.gz FHSZQPWTVCJEHN-LBPRGKRZSA-N 1 0 281.281 3.227 10 0 CGAERO C[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCCC[C@H]1O ZINC000251083793 287831809 /nfs/dbraw/zinc/83/18/09/287831809.db2.gz IONSUZGQOPVANX-DJIMGWMZSA-N 1 0 261.409 3.148 10 0 CGAERO CC(C)c1nnc(C[NH2+][C@H]2CCC(C)(C)C[C@@H]2C)n1C ZINC000120930422 275774599 /nfs/dbraw/zinc/77/45/99/275774599.db2.gz XPIDDAHTBUATKC-STQMWFEESA-N 1 0 278.444 3.243 10 0 CGAERO CC[NH2+]Cc1nc2c(s1)CCc1cc(OC)ccc1-2 ZINC000045205991 276267838 /nfs/dbraw/zinc/26/78/38/276267838.db2.gz WUOBRNPGVXBQGE-UHFFFAOYSA-N 1 0 274.389 3.027 10 0 CGAERO CC[C@](C)(O)C[NH2+][C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000154538075 276650129 /nfs/dbraw/zinc/65/01/29/276650129.db2.gz MJOAHPILGPTPPE-CJNGLKHVSA-N 1 0 281.371 3.179 10 0 CGAERO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@@H]1CCSC1 ZINC000180991422 276712432 /nfs/dbraw/zinc/71/24/32/276712432.db2.gz WKEROKBIUBJFGJ-NWDGAFQWSA-N 1 0 275.421 3.212 10 0 CGAERO CC(C)=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400322582 277326267 /nfs/dbraw/zinc/32/62/67/277326267.db2.gz AGUGNWWZIAJBFQ-UONOGXRCSA-N 1 0 282.428 3.188 10 0 CGAERO C[C@@H]1CN(c2cc[nH+]c3cc(F)ccc32)CCS1 ZINC000113247383 277919000 /nfs/dbraw/zinc/91/90/00/277919000.db2.gz PWTAOWBEZWUEJA-SNVBAGLBSA-N 1 0 262.353 3.316 10 0 CGAERO CC(=O)N1CC[C@H]([NH2+]CCC(C)C)c2ccc(F)cc2C1 ZINC000186358296 278055616 /nfs/dbraw/zinc/05/56/16/278055616.db2.gz VYOBFDCAGRFXEB-KRWDZBQOSA-N 1 0 292.398 3.255 10 0 CGAERO CC(C)(C)OC(=O)N1CCC([C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000044135647 278382587 /nfs/dbraw/zinc/38/25/87/278382587.db2.gz YZOWCFCPXGMBFS-ZIAGYGMSSA-N 1 0 282.428 3.151 10 0 CGAERO C[C@@H]([NH2+][C@H]1CCc2c1cccc2O)c1cccc(O)c1 ZINC000037151628 278386796 /nfs/dbraw/zinc/38/67/96/278386796.db2.gz OLHVIFDTJXFUQX-BZNIZROVSA-N 1 0 269.344 3.436 10 0 CGAERO CCCC[C@H](CC)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398852848 288048485 /nfs/dbraw/zinc/04/84/85/288048485.db2.gz NDQWBWXUHUFXMX-CAOSSQGBSA-N 1 0 253.430 3.296 10 0 CGAERO O[C@@H]1CC[C@H]2C[N@H+](CCSc3ccccc3F)C[C@H]2C1 ZINC000399048599 288048897 /nfs/dbraw/zinc/04/88/97/288048897.db2.gz KEHNQPHBFVWVII-BFHYXJOUSA-N 1 0 295.423 3.011 10 0 CGAERO CC(C)[C@@H](C(=O)N[C@@H](C)c1cccc(Cl)c1)[C@H](C)[NH3+] ZINC000399700699 288053673 /nfs/dbraw/zinc/05/36/73/288053673.db2.gz CCTUSBUQLZDHJQ-COPLHBTASA-N 1 0 282.815 3.137 10 0 CGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC1CCC(F)(F)CC1 ZINC000459371447 288085034 /nfs/dbraw/zinc/08/50/34/288085034.db2.gz SUNSAGIQSRIFCM-CABCVRRESA-N 1 0 286.410 3.371 10 0 CGAERO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000282876265 279045200 /nfs/dbraw/zinc/04/52/00/279045200.db2.gz ZZRUWRGJHURVAV-QCZZGDTMSA-N 1 0 296.208 3.203 10 0 CGAERO Cc1nnc([C@H]([NH2+][C@H](C)C2CCCC2)c2ccccc2)[nH]1 ZINC000162625935 279107838 /nfs/dbraw/zinc/10/78/38/279107838.db2.gz LLIUMSNPHJEXJK-MLGOLLRUSA-N 1 0 284.407 3.371 10 0 CGAERO CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000085129501 279322892 /nfs/dbraw/zinc/32/28/92/279322892.db2.gz SZPYQKPXZRBTAR-XQQFMLRXSA-N 1 0 278.362 3.181 10 0 CGAERO CC[N@@H+]1CCC[C@@H](NCc2c(F)ccc(F)c2Cl)C1 ZINC000527642606 288180091 /nfs/dbraw/zinc/18/00/91/288180091.db2.gz HSGWYAIHNIELTM-SNVBAGLBSA-N 1 0 288.769 3.192 10 0 CGAERO C[C@]1(Br)CCC[N@H+](Cc2ccccc2)C1 ZINC000095089619 280144627 /nfs/dbraw/zinc/14/46/27/280144627.db2.gz CKMDFNQOKBENMO-ZDUSSCGKSA-N 1 0 268.198 3.436 10 0 CGAERO OC1CCC2(CC1)CC[NH+](C[C@@H]1CCCC1(F)F)CC2 ZINC000336268881 280402404 /nfs/dbraw/zinc/40/24/04/280402404.db2.gz TYWFCBGGAQGOGV-ZDUSSCGKSA-N 1 0 287.394 3.439 10 0 CGAERO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000191829269 297140304 /nfs/dbraw/zinc/14/03/04/297140304.db2.gz QEQYKMZVDFVECN-VHDGCEQUSA-N 1 0 275.392 3.303 10 0 CGAERO CCc1ccc([C@@H](C)[NH2+]C[C@@H](O)C(C)(C)C)s1 ZINC000164108747 321900248 /nfs/dbraw/zinc/90/02/48/321900248.db2.gz GXTYIMQJVLXSTR-ZWNOBZJWSA-N 1 0 255.427 3.368 10 0 CGAERO C[C@H](NC(=O)[C@H]1CCCC[NH2+]1)c1ccc(C(C)(C)C)cc1 ZINC000037007400 327250504 /nfs/dbraw/zinc/25/05/04/327250504.db2.gz OVCYNVLWJNDRDY-XJKSGUPXSA-N 1 0 288.435 3.303 10 0 CGAERO [NH3+]C[C@@H](c1ccc(Br)cc1)C1(CO)CCCC1 ZINC000536952209 330382465 /nfs/dbraw/zinc/38/24/65/330382465.db2.gz BHHBUMBJBQZFHW-ZDUSSCGKSA-N 1 0 298.224 3.044 10 0 CGAERO [NH3+]C[C@H](c1cccc(Br)c1)C1(CO)CCCC1 ZINC000536955227 330383053 /nfs/dbraw/zinc/38/30/53/330383053.db2.gz VNJGCZNGXDONHK-CYBMUJFWSA-N 1 0 298.224 3.044 10 0 CGAERO CC(C)[C@@H](C[NH2+][C@@H]1CCCC[C@H]1O)c1ccccc1 ZINC000577747189 335396421 /nfs/dbraw/zinc/39/64/21/335396421.db2.gz SVKNIBUIGSSFIL-BRWVUGGUSA-N 1 0 261.409 3.319 10 0 CGAERO CNC(=O)C(C)(C)C[NH2+][C@H](c1ccccc1Cl)C(C)C ZINC000183219918 335880109 /nfs/dbraw/zinc/88/01/09/335880109.db2.gz YIKYRYVGVAHHNQ-AWEZNQCLSA-N 1 0 296.842 3.399 10 0 CGAERO CSCC1CCC([NH2+]C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000385213227 336142277 /nfs/dbraw/zinc/14/22/77/336142277.db2.gz JOENXUWWGYVFCO-SHWKFHJASA-N 1 0 271.470 3.049 10 0 CGAERO CC(C)[NH2+]CCC[C@@H](C)N(CC(F)(F)F)C1CC1 ZINC000052503588 519720810 /nfs/dbraw/zinc/72/08/10/519720810.db2.gz APBIBKDLRIOHJI-LLVKDONJSA-N 1 0 266.351 3.180 10 0 CGAERO CC(C)[NH2+]C[C@]1(OCCOC(C)C)CCC[C@@H](C)C1 ZINC000050504521 519726166 /nfs/dbraw/zinc/72/61/66/519726166.db2.gz HMJIDGXLMSNNDH-CVEARBPZSA-N 1 0 271.445 3.375 10 0 CGAERO CC(C)[C@H](C[NH2+]C1CC1)N1CCCc2ccccc21 ZINC000052421399 519815787 /nfs/dbraw/zinc/81/57/87/519815787.db2.gz DQENSJDDPRWRFV-KRWDZBQOSA-N 1 0 258.409 3.216 10 0 CGAERO CCC[NH2+]Cc1ccccc1Cn1cc(Cl)cn1 ZINC000052577302 519957164 /nfs/dbraw/zinc/95/71/64/519957164.db2.gz OUKRYAJVKZQUSJ-UHFFFAOYSA-N 1 0 263.772 3.084 10 0 CGAERO CC[NH2+]C[C@H](OC[C@H]1CCOC1)c1ccc(Cl)cc1 ZINC000050501194 519974040 /nfs/dbraw/zinc/97/40/40/519974040.db2.gz OHTISQAIRYFOMU-WFASDCNBSA-N 1 0 283.799 3.044 10 0 CGAERO CCC[NH2+]Cc1sc(N(CC)CC)nc1CC ZINC000054995247 519975851 /nfs/dbraw/zinc/97/58/51/519975851.db2.gz YYXPDEXLZGWNMC-UHFFFAOYSA-N 1 0 255.431 3.051 10 0 CGAERO CC[NH2+]Cc1cnc(-n2ccc(C(C)C)n2)c(Cl)c1 ZINC000052885302 520015666 /nfs/dbraw/zinc/01/56/66/520015666.db2.gz WALLJTLAHRYGDE-UHFFFAOYSA-N 1 0 278.787 3.154 10 0 CGAERO CC[NH2+][C@@H](CC)c1nnc(-c2ccc(CC)cc2)o1 ZINC000061512661 520083558 /nfs/dbraw/zinc/08/35/58/520083558.db2.gz JNYOYLDFSHDVMB-ZDUSSCGKSA-N 1 0 259.353 3.360 10 0 CGAERO CC[NH2+][C@@H]1CCN([C@@H](c2cccs2)C(C)C)C1 ZINC000049557872 520120644 /nfs/dbraw/zinc/12/06/44/520120644.db2.gz SWUIGHSHBQSHNN-TZMCWYRMSA-N 1 0 252.427 3.129 10 0 CGAERO CC[NH2+][C@H](C)c1cnc(N2CCC(C)CC2)s1 ZINC000054899921 520181837 /nfs/dbraw/zinc/18/18/37/520181837.db2.gz QWSJKAXUSVSPSC-LLVKDONJSA-N 1 0 253.415 3.050 10 0 CGAERO C[NH2+][C@H](C)c1cnc(N(CC(C)C)C2CC2)s1 ZINC000054907521 522454171 /nfs/dbraw/zinc/45/41/71/522454171.db2.gz YTYOTUGEQMIZMQ-SNVBAGLBSA-N 1 0 253.415 3.048 10 0 CGAERO Brc1csc(COC[C@H]2CCC[NH2+]C2)c1 ZINC000051815593 518236984 /nfs/dbraw/zinc/23/69/84/518236984.db2.gz ISYFWJXEBBRDIZ-VIFPVBQESA-N 1 0 290.226 3.027 10 0 CGAERO CC(C)(C)[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000055029653 518759739 /nfs/dbraw/zinc/75/97/39/518759739.db2.gz YXHLBYFTABSBBJ-LLVKDONJSA-N 1 0 262.180 3.415 10 0 CGAERO CC(C)(C)[NH2+]C[C@@]1(Cc2cccs2)CCOC1 ZINC000054665543 518761648 /nfs/dbraw/zinc/76/16/48/518761648.db2.gz OUIDQVDDTRRRCT-AWEZNQCLSA-N 1 0 253.411 3.085 10 0 CGAERO CC(C)C[C@H](C[NH+](C)C)Nc1ncccc1Cl ZINC000049558224 519344641 /nfs/dbraw/zinc/34/46/41/519344641.db2.gz GXMWWOSKZTXBJR-LLVKDONJSA-N 1 0 255.793 3.123 10 0 CGAERO O[C@H](CC1CCCC1)C[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000364337751 534423019 /nfs/dbraw/zinc/42/30/19/534423019.db2.gz KELPDCXXZPUYSW-ZIAGYGMSSA-N 1 0 280.437 3.221 10 0 CGAERO CC(C)C[C@H]1CN(Cc2ccccc2F)CCC[NH2+]1 ZINC000062662082 519415950 /nfs/dbraw/zinc/41/59/50/519415950.db2.gz LPNFNUYFBWCWTR-HNNXBMFYSA-N 1 0 264.388 3.036 10 0 CGAERO CC(C)[NH2+]C[C@H](C(C)C)N(CC(F)(F)F)C1CC1 ZINC000052503442 519724282 /nfs/dbraw/zinc/72/42/82/519724282.db2.gz MJTBKXPGOXRIBM-GFCCVEGCSA-N 1 0 266.351 3.036 10 0 CGAERO CC(C)[NH2+]C[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000053013091 519723390 /nfs/dbraw/zinc/72/33/90/519723390.db2.gz GXHUUFPOMQNRMP-NSHDSACASA-N 1 0 270.779 3.303 10 0 CGAERO CC(C)[NH2+]Cc1nccn1Cc1ccc(F)cc1Cl ZINC000051005662 519729039 /nfs/dbraw/zinc/72/90/39/519729039.db2.gz HROQDNVTSYTWEY-UHFFFAOYSA-N 1 0 281.762 3.222 10 0 CGAERO CC(C)C[NH2+]CCN(C)Cc1ccccc1Cl ZINC000052371927 519744117 /nfs/dbraw/zinc/74/41/17/519744117.db2.gz ZSNKHHYRHVWXTC-UHFFFAOYSA-N 1 0 254.805 3.017 10 0 CGAERO CC[NH2+]CC(=O)c1cc(C(C)(C)C)c(OC)cc1C ZINC000062540033 519911572 /nfs/dbraw/zinc/91/15/72/519911572.db2.gz DOMGYIBKOCNKNV-UHFFFAOYSA-N 1 0 263.381 3.093 10 0 CGAERO CCC[NH2+]C[C@@H](OCCCOC)c1ccc(C)cc1 ZINC000050486397 519921696 /nfs/dbraw/zinc/92/16/96/519921696.db2.gz KUJGTUXWMUZFHF-MRXNPFEDSA-N 1 0 265.397 3.089 10 0 CGAERO CCC[NH2+]C[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000054592866 519940025 /nfs/dbraw/zinc/94/00/25/519940025.db2.gz GWSMPVQBDCCQKI-PWSUYJOCSA-N 1 0 255.308 3.391 10 0 CGAERO CCC[NH2+]Cc1coc(CN(CC)CC(F)(F)F)c1 ZINC000052503116 519965451 /nfs/dbraw/zinc/96/54/51/519965451.db2.gz PQQHCTPNDYMNDQ-UHFFFAOYSA-N 1 0 278.318 3.163 10 0 CGAERO CCC[NH2+]Cc1sc(N2CCC[C@@H](C)C2)nc1CC ZINC000054995597 519975378 /nfs/dbraw/zinc/97/53/78/519975378.db2.gz UICQWCYUSFKTLB-GFCCVEGCSA-N 1 0 281.469 3.441 10 0 CGAERO CCC[NH2+][C@@H]1CCCc2nc(N(C)CC3CC3)sc21 ZINC000054905716 520023211 /nfs/dbraw/zinc/02/32/11/520023211.db2.gz CSUBWXNVAONJES-GFCCVEGCSA-N 1 0 279.453 3.366 10 0 CGAERO CCC[NH2+][C@H](C)[C@H](C)CCCOCC(F)(F)F ZINC000049312823 520064102 /nfs/dbraw/zinc/06/41/02/520064102.db2.gz QRKQOBNTQGLWRI-GHMZBOCLSA-N 1 0 255.324 3.370 10 0 CGAERO CC[NH2+][C@@H](CCN1CCc2ccccc21)C(C)(C)C ZINC000054026884 520087701 /nfs/dbraw/zinc/08/77/01/520087701.db2.gz OEXJQENUTQTXHQ-INIZCTEOSA-N 1 0 260.425 3.463 10 0 CGAERO CC[NH2+][C@H](c1ccc(OCC)cc1)[C@@H]1CCCOC1 ZINC000062232540 520209467 /nfs/dbraw/zinc/20/94/67/520209467.db2.gz QVNZGRSGBVFDPW-GDBMZVCRSA-N 1 0 263.381 3.163 10 0 CGAERO c1ccc(C2=CC[N@H+](CCc3ccccn3)CC2)cc1 ZINC000072589799 534483162 /nfs/dbraw/zinc/48/31/62/534483162.db2.gz YQTUBIDQQJBBIR-UHFFFAOYSA-N 1 0 264.372 3.413 10 0 CGAERO CCCOc1ccc([C@H]([NH3+])Cc2ccncc2)cc1 ZINC000055264708 520427798 /nfs/dbraw/zinc/42/77/98/520427798.db2.gz SZCLUFLPQMDTEG-MRXNPFEDSA-N 1 0 256.349 3.113 10 0 CGAERO CCCCN(C)c1ncc(C[NH2+]CC(C)C)s1 ZINC000054901486 520438438 /nfs/dbraw/zinc/43/84/38/520438438.db2.gz XFBNAZXZWUHENC-UHFFFAOYSA-N 1 0 255.431 3.125 10 0 CGAERO CCC[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cccs1 ZINC000049544452 520793756 /nfs/dbraw/zinc/79/37/56/520793756.db2.gz XVHPPZUPYAFMDW-XQQFMLRXSA-N 1 0 253.411 3.482 10 0 CGAERO CCC[C@H](NC(=O)[C@@H]([NH3+])CC(C)C)c1cccs1 ZINC000049547014 521138513 /nfs/dbraw/zinc/13/85/13/521138513.db2.gz ROSDPIUVXNOWJX-RYUDHWBXSA-N 1 0 268.426 3.079 10 0 CGAERO CCN(Cc1cccc(F)c1)C1(C[NH3+])CCCCC1 ZINC000050499145 521348787 /nfs/dbraw/zinc/34/87/87/521348787.db2.gz MXKNBWIYBRLDQQ-UHFFFAOYSA-N 1 0 264.388 3.309 10 0 CGAERO CCCc1ccc(O[C@H]([C@H](C)[NH3+])C(F)(F)F)cc1 ZINC000053332379 521404324 /nfs/dbraw/zinc/40/43/24/521404324.db2.gz XNEPOYZRAPQHLM-JOYOIKCWSA-N 1 0 261.287 3.296 10 0 CGAERO COCC[C@@]1(C[NH2+]C2CC2)CCCc2ccccc21 ZINC000054662616 521900872 /nfs/dbraw/zinc/90/08/72/521900872.db2.gz BWCCLNJBUQARGV-QGZVFWFLSA-N 1 0 259.393 3.049 10 0 CGAERO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)c1ccc(F)cc1 ZINC000054628841 521957190 /nfs/dbraw/zinc/95/71/90/521957190.db2.gz AKFSEJXEZQPNJI-RJPYNODJSA-N 1 0 262.372 3.102 10 0 CGAERO C[NH2+]C[C@H](C)c1c(C)nc(Cc2cccs2)nc1C ZINC000054854618 522072597 /nfs/dbraw/zinc/07/25/97/522072597.db2.gz CCJBVRLGHHWJEZ-JTQLQIEISA-N 1 0 275.421 3.069 10 0 CGAERO C[NH2+][C@@H](c1cccnc1)[C@H]1CCCc2ccccc21 ZINC000063158019 522371449 /nfs/dbraw/zinc/37/14/49/522371449.db2.gz DJHHHAHATQUCHZ-IRXDYDNUSA-N 1 0 252.361 3.462 10 0 CGAERO C[NH2+][C@@H]1CCCC[C@H]1OCc1ccccc1Cl ZINC000050503264 522381241 /nfs/dbraw/zinc/38/12/41/522381241.db2.gz IEQAHHIIAADESF-ZIAGYGMSSA-N 1 0 253.773 3.387 10 0 CGAERO CC[C@@H](CCCOCC(F)(F)F)C[NH2+]C1CC1 ZINC000052973952 522497397 /nfs/dbraw/zinc/49/73/97/522497397.db2.gz XWSMQJPDAGKCSQ-JTQLQIEISA-N 1 0 253.308 3.124 10 0 CGAERO CC[C@@H](C[NH2+]C(C)C)n1cc(-c2ccccc2)cn1 ZINC000054962149 522545103 /nfs/dbraw/zinc/54/51/03/522545103.db2.gz SIKPOLJDMUJXBE-INIZCTEOSA-N 1 0 257.381 3.499 10 0 CGAERO CNc1nc(N2CCCCCC2)[nH+]c(C)c1C(C)C ZINC000061687417 522686407 /nfs/dbraw/zinc/68/64/07/522686407.db2.gz NGDXOGNOKGKNHX-UHFFFAOYSA-N 1 0 262.401 3.331 10 0 CGAERO CC[C@@H]([NH2+]C)c1cnn(Cc2cccc(Cl)c2)c1 ZINC000054722010 522805803 /nfs/dbraw/zinc/80/58/03/522805803.db2.gz DMGTUKNYTUKQRF-CQSZACIVSA-N 1 0 263.772 3.255 10 0 CGAERO CCc1sc(C[NH2+]CCOC)nc1-c1ccccc1 ZINC000053296002 523074634 /nfs/dbraw/zinc/07/46/34/523074634.db2.gz RZFUVXKIACSMSS-UHFFFAOYSA-N 1 0 276.405 3.109 10 0 CGAERO COCCCO[C@@H](C[NH2+]C(C)C)c1cccc(C)c1 ZINC000050486497 523406836 /nfs/dbraw/zinc/40/68/36/523406836.db2.gz KZQYPNFQLQTCMR-INIZCTEOSA-N 1 0 265.397 3.087 10 0 CGAERO C[N@@H+]1CCCC[C@@H]1CCNc1c(F)cccc1F ZINC000052205451 523793597 /nfs/dbraw/zinc/79/35/97/523793597.db2.gz YFJNNILNDIKSSV-LLVKDONJSA-N 1 0 254.324 3.251 10 0 CGAERO COc1ccc(C2=CC[C@@H]3CCCC[N@@H+]3C2)cc1OC ZINC000061704712 523873999 /nfs/dbraw/zinc/87/39/99/523873999.db2.gz DADBFIXWKLCQSV-HNNXBMFYSA-N 1 0 273.376 3.345 10 0 CGAERO COc1ccc(CC[C@@H]([NH3+])C(C)(C)C)cc1OC ZINC000062164409 523982164 /nfs/dbraw/zinc/98/21/64/523982164.db2.gz ZVYIMJMDQKANHL-CQSZACIVSA-N 1 0 251.370 3.010 10 0 CGAERO C[C@H](CC[NH2+]C(C)(C)C)N1CCc2ccccc2C1 ZINC000052419195 524192581 /nfs/dbraw/zinc/19/25/81/524192581.db2.gz DOYVBXJCQBRLPZ-CQSZACIVSA-N 1 0 260.425 3.211 10 0 CGAERO C[C@H]1CCN([C@@H](C[NH2+]C(C)(C)C)c2ccccc2)C1 ZINC000052484727 524304691 /nfs/dbraw/zinc/30/46/91/524304691.db2.gz NTCCOJGWWVMLDU-HOCLYGCPSA-N 1 0 260.425 3.458 10 0 CGAERO Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccncc3)CC2)n1 ZINC000156667461 524540479 /nfs/dbraw/zinc/54/04/79/524540479.db2.gz PFIVNIBSLKGOBD-HNNXBMFYSA-N 1 0 296.418 3.105 10 0 CGAERO C[C@H]1C[N@H+](Cc2ccccc2)[C@H](Cc2ccccc2)CN1 ZINC000062671212 524633327 /nfs/dbraw/zinc/63/33/27/524633327.db2.gz GCAUIWFSWOGENO-QFBILLFUSA-N 1 0 280.415 3.092 10 0 CGAERO C[C@H]([NH3+])Cc1nc(-c2ccc(OC(F)F)cc2)cs1 ZINC000054161049 524836191 /nfs/dbraw/zinc/83/61/91/524836191.db2.gz SZMHMTDSTUXTMP-QMMMGPOBSA-N 1 0 284.331 3.301 10 0 CGAERO C[C@@H]([N@H+](C)[C@H](CN)CCc1ccccc1)C(C)(C)C ZINC000061625057 524984878 /nfs/dbraw/zinc/98/48/78/524984878.db2.gz MJLMHRIFCPISBA-ZBFHGGJFSA-N 1 0 262.441 3.313 10 0 CGAERO C[C@@H]([NH3+])[C@H](Sc1cccc(Cl)c1)c1cnn(C)c1 ZINC000054185275 525016739 /nfs/dbraw/zinc/01/67/39/525016739.db2.gz DZKFPBGHKMXLET-RNCFNFMXSA-N 1 0 281.812 3.254 10 0 CGAERO C[C@@H]([NH3+])c1cc(F)ccc1OCc1cccs1 ZINC000049585737 525023310 /nfs/dbraw/zinc/02/33/10/525023310.db2.gz DBQLSVJCFRXCQB-SECBINFHSA-N 1 0 251.326 3.486 10 0 CGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cccc(F)c1Br ZINC000156745239 525330483 /nfs/dbraw/zinc/33/04/83/525330483.db2.gz RDLJLNJYWRUDFJ-XCBNKYQSSA-N 1 0 258.134 3.086 10 0 CGAERO Cc1ccc(C(C)C)c(OCc2cc(C[NH3+])no2)c1 ZINC000052663125 526248095 /nfs/dbraw/zinc/24/80/95/526248095.db2.gz WMGJDYYDQVXYEF-UHFFFAOYSA-N 1 0 260.337 3.144 10 0 CGAERO c1cc2c(s1)CCC[C@H]2N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000061330047 526446461 /nfs/dbraw/zinc/44/64/61/526446461.db2.gz JXVBKTHGVGECJG-RRFJBIMHSA-N 1 0 276.449 3.342 10 0 CGAERO O=C(CC[C@@H]1CCCC[NH2+]1)Nc1ccc(F)c(Cl)c1 ZINC000050941018 526548539 /nfs/dbraw/zinc/54/85/39/526548539.db2.gz MAHLKRFCTDJBDE-JTQLQIEISA-N 1 0 284.762 3.340 10 0 CGAERO c1csc(CC[NH2+]CCOC2CCCCC2)c1 ZINC000053543449 526579386 /nfs/dbraw/zinc/57/93/86/526579386.db2.gz UWRNXXFWHMCPHJ-UHFFFAOYSA-N 1 0 253.411 3.230 10 0 CGAERO Cc1nc(C)c([C@@H](C)[NH2+]Cc2ccccc2N)s1 ZINC000049538759 526745657 /nfs/dbraw/zinc/74/56/57/526745657.db2.gz ZHGUNYYHHYHBCV-SECBINFHSA-N 1 0 261.394 3.193 10 0 CGAERO Cc1nc(C[C@@H]2CCCO2)sc1C[NH2+]C(C)(C)C ZINC000052331046 526921791 /nfs/dbraw/zinc/92/17/91/526921791.db2.gz FFMFBRRXLHKZPD-NSHDSACASA-N 1 0 268.426 3.061 10 0 CGAERO Cc1ncc(COc2cc(F)ccc2[C@H](C)[NH3+])s1 ZINC000062745181 527283940 /nfs/dbraw/zinc/28/39/40/527283940.db2.gz POVDHGAIXCMYFE-QMMMGPOBSA-N 1 0 266.341 3.189 10 0 CGAERO Nc1c(Cc2ccccc2)[nH+]c2ccc(Cl)cn12 ZINC000062431777 527431513 /nfs/dbraw/zinc/43/15/13/527431513.db2.gz RPHKPVVPZMYEBT-UHFFFAOYSA-N 1 0 257.724 3.161 10 0 CGAERO Nc1ccccc1C[N@@H+]1CCCc2ccccc2C1 ZINC000062944112 527526620 /nfs/dbraw/zinc/52/66/20/527526620.db2.gz CXHFSSAGYNOUQM-UHFFFAOYSA-N 1 0 252.361 3.217 10 0 CGAERO FC(F)(F)c1ccccc1N1CC[C@@H](C[NH2+]C2CC2)C1 ZINC000053010974 527686735 /nfs/dbraw/zinc/68/67/35/527686735.db2.gz UNVAQMVLTUBRPD-NSHDSACASA-N 1 0 284.325 3.284 10 0 CGAERO CC(C)[C@@H]1C[NH2+]CCN1c1ccccc1C(F)(F)F ZINC000083535439 535264717 /nfs/dbraw/zinc/26/47/17/535264717.db2.gz BYEATLIDHMPPQR-ZDUSSCGKSA-N 1 0 272.314 3.140 10 0 CGAERO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2CO)cc1 ZINC000223869840 535421318 /nfs/dbraw/zinc/42/13/18/535421318.db2.gz HJNOGKADKYLWKB-LXZKKBNFSA-N 1 0 277.408 3.287 10 0 CGAERO CCN1CCC[C@H]([NH2+]Cc2ccc3nc(C)ccc3c2)C1 ZINC000097861511 535581875 /nfs/dbraw/zinc/58/18/75/535581875.db2.gz TVYAPTORGXMYLR-KRWDZBQOSA-N 1 0 283.419 3.117 10 0 CGAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1c1cccc(F)c1 ZINC000083383627 535825410 /nfs/dbraw/zinc/82/54/10/535825410.db2.gz XEMLDSAGDZWOGJ-UKRRQHHQSA-N 1 0 250.361 3.039 10 0 CGAERO CC[C@H](C)[C@@H](C)[NH2+]CC[C@H]1c2ccccc2NC1=O ZINC000246410711 535834920 /nfs/dbraw/zinc/83/49/20/535834920.db2.gz MKVXSHAMLOMBDC-SCRDCRAPSA-N 1 0 260.381 3.137 10 0 CGAERO CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105884509 536064069 /nfs/dbraw/zinc/06/40/69/536064069.db2.gz YSGAGJJHEIESCM-DOTOQJQBSA-N 1 0 284.407 3.141 10 0 CGAERO CC[C@H]1C[NH2+][C@H](C)CN1c1ccc(C)c(Cl)c1 ZINC000083394282 536169540 /nfs/dbraw/zinc/16/95/40/536169540.db2.gz DOCGAVFHSHGNOL-NEPJUHHUSA-N 1 0 252.789 3.225 10 0 CGAERO Cc1occc1S[C@@H](C[NH3+])C(F)(F)C(F)(F)F ZINC000616571095 570408957 /nfs/dbraw/zinc/40/89/57/570408957.db2.gz VJNVKENXTHTFQG-ZETCQYMHSA-N 1 0 275.242 3.205 10 0 CGAERO C[C@]1(COCc2ccccc2)[NH2+]CCc2ccsc21 ZINC000712586809 567852181 /nfs/dbraw/zinc/85/21/81/567852181.db2.gz AICKBCBZVHXUDP-MRXNPFEDSA-N 1 0 273.401 3.326 10 0 CGAERO C[C@@H](C[NH2+]Cc1ccccc1)N(C)C(=O)OC(C)(C)C ZINC000306787541 617748091 /nfs/dbraw/zinc/74/80/91/617748091.db2.gz MVAKJWOLUUXKIS-ZDUSSCGKSA-N 1 0 278.396 3.032 10 0 CGAERO CC(C)(C)OC(=O)N1CCC[C@@]2(CCC[C@@H]2CC[NH3+])C1 ZINC000757196389 617842410 /nfs/dbraw/zinc/84/24/10/617842410.db2.gz XHXIULAVJZOSTQ-CJNGLKHVSA-N 1 0 282.428 3.153 10 0 CGAERO C[C@H]([NH2+]Cc1cncnc1)c1ccc(Cl)s1 ZINC000054767478 617875375 /nfs/dbraw/zinc/87/53/75/617875375.db2.gz MQCMFONCMGPIHZ-QMMMGPOBSA-N 1 0 253.758 3.042 10 0 CGAERO CCc1ccc(C[NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)o1 ZINC000177769653 618840420 /nfs/dbraw/zinc/84/04/20/618840420.db2.gz REROMALODUMLRT-GFCCVEGCSA-N 1 0 296.411 3.235 10 0 CGAERO C[C@@H]([NH3+])[C@H](C)c1nc(C(C2CCC2)C2CCC2)no1 ZINC000311366266 618905807 /nfs/dbraw/zinc/90/58/07/618905807.db2.gz PZNFWGOKEJOPEN-VHSXEESVSA-N 1 0 263.385 3.204 10 0 CGAERO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000311451349 618909646 /nfs/dbraw/zinc/90/96/46/618909646.db2.gz SIGGMERKMHKTCN-SUNKGSAMSA-N 1 0 280.799 3.048 10 0 CGAERO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]CCc1ccccc1 ZINC000309691884 618935699 /nfs/dbraw/zinc/93/56/99/618935699.db2.gz CZRSDKQIRWCGOX-KBPBESRZSA-N 1 0 292.423 3.120 10 0 CGAERO C[C@@H]([NH2+]CCc1ccccc1)[C@H](C)NC(=O)OC(C)(C)C ZINC000309691885 618935803 /nfs/dbraw/zinc/93/58/03/618935803.db2.gz CZRSDKQIRWCGOX-KGLIPLIRSA-N 1 0 292.423 3.120 10 0 CGAERO CC(C)c1nnc(CSCC[NH+](C(C)C)C(C)C)n1C ZINC000179491208 619008849 /nfs/dbraw/zinc/00/88/49/619008849.db2.gz XNLJTXVDDQOQHL-UHFFFAOYSA-N 1 0 298.500 3.291 10 0 CGAERO CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)C(C)C ZINC000309870746 619014513 /nfs/dbraw/zinc/01/45/13/619014513.db2.gz QPBGHEWUSUAOEQ-QWHCGFSZSA-N 1 0 272.433 3.266 10 0 CGAERO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1)[C@H](C)O ZINC000309990513 619060497 /nfs/dbraw/zinc/06/04/97/619060497.db2.gz ZZOXVKOSJHCJCC-VGMNWLOBSA-N 1 0 262.180 3.413 10 0 CGAERO C[C@]1(c2nc(C(C3CCC3)C3CCC3)no2)CC[NH2+]C1 ZINC000312874367 619154341 /nfs/dbraw/zinc/15/43/41/619154341.db2.gz TZMDDLYBZWQCHC-INIZCTEOSA-N 1 0 275.396 3.004 10 0 CGAERO 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C[C@@H]([NH2+]CC[S@](C)=O)c1ccc(C(C)(C)C)cc1 ZINC000135466070 637133970 /nfs/dbraw/zinc/13/39/70/637133970.db2.gz XTIQESLNAGQCQG-KZULUSFZSA-N 1 0 267.438 3.013 10 0 CGAERO CC1(C)C[C@@H]1c1noc([C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)n1 ZINC000300459916 637841435 /nfs/dbraw/zinc/84/14/35/637841435.db2.gz ZHOWASOVIMOHHT-WYUUTHIRSA-N 1 0 261.369 3.176 10 0 CGAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C1CCCC1 ZINC000089146952 640630744 /nfs/dbraw/zinc/63/07/44/640630744.db2.gz GFNWGTXLWASBJY-JSGCOSHPSA-N 1 0 282.428 3.212 10 0 CGAERO CCCCC[C@H](CC)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000245859014 640642639 /nfs/dbraw/zinc/64/26/39/640642639.db2.gz OFYRYQDNJUVJFD-OWCLPIDISA-N 1 0 280.456 3.288 10 0 CGAERO [NH3+]C[C@@H]1CCCC[C@H]1c1nc(C2CCCCC2)no1 ZINC000089383415 640643067 /nfs/dbraw/zinc/64/30/67/640643067.db2.gz GVUVXHIPYVLZCZ-QWHCGFSZSA-N 1 0 263.385 3.350 10 0 CGAERO [NH3+]C[C@@H]1CCCC[C@@H]1c1nc(-c2cccc(F)c2)no1 ZINC000089383456 640643503 /nfs/dbraw/zinc/64/35/03/640643503.db2.gz ZYNPGSWSFXXVLP-AAEUAGOBSA-N 1 0 275.327 3.108 10 0 CGAERO Cc1cc([C@H](C)NC(=O)[C@@H]2CCCC[C@@H]2C[NH3+])c(C)s1 ZINC000089388828 640644094 /nfs/dbraw/zinc/64/40/94/640644094.db2.gz MLINOFTWWODNIM-IACUBPJLSA-N 1 0 294.464 3.307 10 0 CGAERO CC(C)N1C[C@H](C)[C@H]([NH2+][C@H](C)CSC(C)(C)C)C1 ZINC000246508089 640679104 /nfs/dbraw/zinc/67/91/04/640679104.db2.gz TXFHJEGQGJDFFF-BFHYXJOUSA-N 1 0 272.502 3.225 10 0 CGAERO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1Cc2ccccc2[C@@H]1O ZINC000248000033 640738692 /nfs/dbraw/zinc/73/86/92/640738692.db2.gz KIMNVNXGBXZBPF-XIVGLXKZSA-N 1 0 259.393 3.059 10 0 CGAERO [NH3+][C@H]1CC[C@@H](c2nc(Cc3c(F)cccc3Cl)no2)C1 ZINC000097068285 640854943 /nfs/dbraw/zinc/85/49/43/640854943.db2.gz JVLCEEJJPNYBQT-BDAKNGLRSA-N 1 0 295.745 3.048 10 0 CGAERO CC[C@H]([NH3+])[C@H](C)Cc1cccc(Br)c1 ZINC000082443166 178021733 /nfs/dbraw/zinc/02/17/33/178021733.db2.gz DJFHSTDQEFOAPX-SKDRFNHKSA-N 1 0 256.187 3.365 10 0 CGAERO CC[C@@H]([NH3+])[C@H](C)Cc1cccc(Br)c1 ZINC000082443167 178021860 /nfs/dbraw/zinc/02/18/60/178021860.db2.gz DJFHSTDQEFOAPX-BXKDBHETSA-N 1 0 256.187 3.365 10 0 CGAERO CC(C)c1nc([C@@H]2CCCO2)sc1C[NH2+]C1CC1 ZINC000082430620 178008226 /nfs/dbraw/zinc/00/82/26/178008226.db2.gz KSJWPZFQDMUNEY-NSHDSACASA-N 1 0 266.410 3.370 10 0 CGAERO CC(C)n1c2ncccc2nc1[C@H]([NH3+])c1ccccc1 ZINC000082573236 178112624 /nfs/dbraw/zinc/11/26/24/178112624.db2.gz PWVPCUBFUFEHKL-CQSZACIVSA-N 1 0 266.348 3.060 10 0 CGAERO NC(=[NH2+])c1cc2ccc(OC(=O)c3ccccc3)cc2s1 ZINC000095938125 185034887 /nfs/dbraw/zinc/03/48/87/185034887.db2.gz HIALCVGBGXRWHI-UHFFFAOYSA-N 1 0 296.351 3.405 10 0 CGAERO O=C(c1ccc(Cl)c2ccccc12)[C@@H]1CCC[NH2+]1 ZINC000082722091 178237071 /nfs/dbraw/zinc/23/70/71/178237071.db2.gz UIZHLSNXIFJEEO-AWEZNQCLSA-N 1 0 259.736 3.428 10 0 CGAERO CCOc1cc(Cl)c(C(=O)[C@H]2CCC[NH2+]2)cc1OCC ZINC000082724469 178240546 /nfs/dbraw/zinc/24/05/46/178240546.db2.gz IRPSADUUXPEJKV-GFCCVEGCSA-N 1 0 297.782 3.072 10 0 CGAERO [NH3+][C@H](Cc1ccccc1Br)CC1CC1 ZINC000083000235 178333814 /nfs/dbraw/zinc/33/38/14/178333814.db2.gz QIJVGXQFKBTBNG-NSHDSACASA-N 1 0 254.171 3.119 10 0 CGAERO COc1cc(SC)c(OC)c2c1C(C)(C)C[NH2+][C@H]2C ZINC000096889022 185123666 /nfs/dbraw/zinc/12/36/66/185123666.db2.gz ILTIRLNJMKGXMN-VIFPVBQESA-N 1 0 281.421 3.368 10 0 CGAERO CCSc1ccc([C@@H](O)[C@H]([NH2+]C)C(C)C)cc1 ZINC000096890937 185123945 /nfs/dbraw/zinc/12/39/45/185123945.db2.gz XOOLBNFDIUYSSY-ZIAGYGMSSA-N 1 0 253.411 3.076 10 0 CGAERO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccccc1C(F)(F)F ZINC000294970873 199276445 /nfs/dbraw/zinc/27/64/45/199276445.db2.gz IZWYILFNFCEGMT-GXFFZTMASA-N 1 0 273.298 3.051 10 0 CGAERO C[NH+](C)C[C@@H](NCc1ccncc1Cl)c1ccccc1 ZINC000623343711 349783808 /nfs/dbraw/zinc/78/38/08/349783808.db2.gz FCJUISGGEFQRIU-MRXNPFEDSA-N 1 0 289.810 3.128 10 0 CGAERO Cc1ccc([C@](O)(c2ccccc2)[C@H](C)C[NH+](C)C)cc1 ZINC000003642288 344859355 /nfs/dbraw/zinc/85/93/55/344859355.db2.gz KOSOOUWMXGSCPH-VQIMIIECSA-N 1 0 283.415 3.429 10 0 CGAERO C[C@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1CCCCl 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ZINC000037186243 344948163 /nfs/dbraw/zinc/94/81/63/344948163.db2.gz OOXNIOOGSPNJPI-SECBINFHSA-N 1 0 289.160 3.350 10 0 CGAERO COc1ccc2cc(C[NH2+][C@H]3CCC[C@@H](O)C3)ccc2c1 ZINC000037164202 344948290 /nfs/dbraw/zinc/94/82/90/344948290.db2.gz PCENWNJJSHCUJO-DLBZAZTESA-N 1 0 285.387 3.242 10 0 CGAERO CS[C@@H](c1ccc(Br)s1)[C@H](C)[NH3+] ZINC000043284162 344996835 /nfs/dbraw/zinc/99/68/35/344996835.db2.gz DSVQJQKOFQENHF-YLWLKBPMSA-N 1 0 266.229 3.262 10 0 CGAERO CCc1ccc([C@H](C)NC(=O)CC[C@H]2CCC[NH2+]C2)cc1 ZINC000043588561 345001612 /nfs/dbraw/zinc/00/16/12/345001612.db2.gz YRNPUWGRSPHDAV-GOEBONIOSA-N 1 0 288.435 3.206 10 0 CGAERO CC(C)(C)[C@@H]([NH3+])Cc1ccc(Br)s1 ZINC000053819234 345125685 /nfs/dbraw/zinc/12/56/85/345125685.db2.gz HXNKAGHLXYIMLD-QMMMGPOBSA-N 1 0 262.216 3.427 10 0 CGAERO CCC[C@@H](NC(=O)C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000054307178 345132131 /nfs/dbraw/zinc/13/21/31/345132131.db2.gz LBDCTGAFDFEMPO-GDBMZVCRSA-N 1 0 274.408 3.034 10 0 CGAERO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)c1ccc2ccccc2c1 ZINC000054686109 345137682 /nfs/dbraw/zinc/13/76/82/345137682.db2.gz VEJQVIHLWWZFCT-OALUTQOASA-N 1 0 277.367 3.443 10 0 CGAERO COc1ccc2cc([C@@H](O)[C@@H]([NH3+])CC(C)C)ccc2c1 ZINC000054929499 345140631 /nfs/dbraw/zinc/14/06/31/345140631.db2.gz JUMJVBYSWPCWAW-DLBZAZTESA-N 1 0 273.376 3.255 10 0 CGAERO Brc1cccc(SC2CC[NH2+]CC2)c1 ZINC000055309162 345147058 /nfs/dbraw/zinc/14/70/58/345147058.db2.gz JTYDGUKTQALVPU-UHFFFAOYSA-N 1 0 272.211 3.293 10 0 CGAERO CC[N@@H+]1CCC[C@@H](Nc2nc3ccccc3cc2C)C1 ZINC000063105893 345243122 /nfs/dbraw/zinc/24/31/22/345243122.db2.gz NTXTVLRYDDAIEM-OAHLLOKOSA-N 1 0 269.392 3.439 10 0 CGAERO C[NH2+][C@H](c1occc1Br)C1CCCC1 ZINC000068982664 345369796 /nfs/dbraw/zinc/36/97/96/345369796.db2.gz AOCICAJICQMQIL-JTQLQIEISA-N 1 0 258.159 3.493 10 0 CGAERO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)cn1 ZINC000069389306 345379761 /nfs/dbraw/zinc/37/97/61/345379761.db2.gz DVAYYLOZMCCNNH-NWDGAFQWSA-N 1 0 288.313 3.301 10 0 CGAERO CCn1cc([C@H](C)[NH2+][C@H]2CCOc3ccccc32)cn1 ZINC000044497546 232171857 /nfs/dbraw/zinc/17/18/57/232171857.db2.gz GGDMXNHZZWPANT-WFASDCNBSA-N 1 0 271.364 3.077 10 0 CGAERO C[C@@H]1C[NH+]=C(NCc2cc(Br)cs2)S1 ZINC000070600748 345392453 /nfs/dbraw/zinc/39/24/53/345392453.db2.gz HPMQXMGZVMPEGM-ZCFIWIBFSA-N 1 0 291.239 3.092 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1cccc(F)c1 ZINC000147747027 232202326 /nfs/dbraw/zinc/20/23/26/232202326.db2.gz OKDGDPVLUBROBM-NILFDRSVSA-N 1 0 251.345 3.170 10 0 CGAERO Cc1ccc([C@@H]2NC(=[NH2+])O[C@H]3c4ccccc4C[C@H]32)cc1 ZINC000090378164 345785845 /nfs/dbraw/zinc/78/58/45/345785845.db2.gz LXIZACHRBPHSME-ULQDDVLXSA-N 1 0 278.355 3.295 10 0 CGAERO C[NH+](C)C[C@H](NC(=O)C1CCCCCC1)c1ccccc1 ZINC000101810232 345913874 /nfs/dbraw/zinc/91/38/74/345913874.db2.gz HGOVQXITWGFPCX-KRWDZBQOSA-N 1 0 288.435 3.376 10 0 CGAERO Cc1nc(C)n2c1[C@H](CCc1ccc(C)cc1)[NH2+]CC2 ZINC000114152482 345963850 /nfs/dbraw/zinc/96/38/50/345963850.db2.gz YGBDVXBVEJMQFV-INIZCTEOSA-N 1 0 269.392 3.085 10 0 CGAERO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)c2ccccc12 ZINC000109133093 345939869 /nfs/dbraw/zinc/93/98/69/345939869.db2.gz BWYJDHKYPJMSMY-HUUCEWRRSA-N 1 0 285.387 3.242 10 0 CGAERO CC[C@H](C1=[NH+]CCN1)c1ccc(C(F)(F)F)cc1 ZINC000114912826 345967666 /nfs/dbraw/zinc/96/76/66/345967666.db2.gz DAEKTWIKCNBOEJ-NSHDSACASA-N 1 0 256.271 3.201 10 0 CGAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc2cc(F)ccc2o1 ZINC000117802772 345986354 /nfs/dbraw/zinc/98/63/54/345986354.db2.gz MWYSJASYRCIUOZ-NSHDSACASA-N 1 0 292.354 3.032 10 0 CGAERO FC(F)(F)c1cccc([C@@]2(C(F)(F)F)CC[NH2+]C2)c1 ZINC000118237340 345987563 /nfs/dbraw/zinc/98/75/63/345987563.db2.gz COOLEAUCLZUGDL-SNVBAGLBSA-N 1 0 283.215 3.499 10 0 CGAERO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)C(=O)N1CCC(C)CC1 ZINC000130433824 346057536 /nfs/dbraw/zinc/05/75/36/346057536.db2.gz IKMGKNFPXJEJRO-HZPDHXFCSA-N 1 0 288.435 3.293 10 0 CGAERO C[C@H]1Cc2c(cc(Cl)cc2Br)[C@H]1[NH3+] ZINC000126551255 346025192 /nfs/dbraw/zinc/02/51/92/346025192.db2.gz DCJGBJHNJHPIBG-RRAGMBSWSA-N 1 0 260.562 3.295 10 0 CGAERO CC(C)(C)[C@@H]([NH3+])c1csc(I)c1 ZINC000127046187 346028798 /nfs/dbraw/zinc/02/87/98/346028798.db2.gz PJQJMPFWNCMYEN-QMMMGPOBSA-N 1 0 295.189 3.399 10 0 CGAERO C[NH2+][C@@H](C)[C@@H](C)c1cc(Br)ccc1F ZINC000132288557 346070684 /nfs/dbraw/zinc/07/06/84/346070684.db2.gz JAQUMDZHXUWRAU-SFYZADRCSA-N 1 0 260.150 3.300 10 0 CGAERO CCc1cc2c(cc1[C@H](C)[NH3+])N(C(C)=O)CCC2(C)C ZINC000140541255 346105378 /nfs/dbraw/zinc/10/53/78/346105378.db2.gz PBJRMQNIAFBUEB-NSHDSACASA-N 1 0 274.408 3.303 10 0 CGAERO CC[C@]1(Cc2ccc(Br)o2)CCC[NH2+]1 ZINC000134348137 346080711 /nfs/dbraw/zinc/08/07/11/346080711.db2.gz OGEFOPQCDBAMMD-LLVKDONJSA-N 1 0 258.159 3.117 10 0 CGAERO C[C@]1(c2ccc(Br)cc2Cl)C[C@H]1[NH3+] ZINC000135058110 346085948 /nfs/dbraw/zinc/08/59/48/346085948.db2.gz HGIROMZPYHSAJY-NXEZZACHSA-N 1 0 260.562 3.091 10 0 CGAERO C[C@@H]([C@@H](O)c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000138977767 346098454 /nfs/dbraw/zinc/09/84/54/346098454.db2.gz WCQLQXUVEOZLEI-IAQYHMDHSA-N 1 0 267.800 3.351 10 0 CGAERO CC[C@@H]([NH2+][C@@H](CO)C(C)C)c1ccc(C(F)(F)F)o1 ZINC000143726533 346115337 /nfs/dbraw/zinc/11/53/37/346115337.db2.gz CSARWAFXGHGIKZ-ZJUUUORDSA-N 1 0 279.302 3.356 10 0 CGAERO Fc1ccc(COc2ccc3c(c2)CC[NH2+]C3)cc1 ZINC000145916174 346121411 /nfs/dbraw/zinc/12/14/11/346121411.db2.gz WLKRVRVEWWCOJJ-UHFFFAOYSA-N 1 0 257.308 3.050 10 0 CGAERO c1cn(C[C@H]2CCC[N@@H+]2Cc2cccc3[nH]ccc32)cn1 ZINC000188406964 542248306 /nfs/dbraw/zinc/24/83/06/542248306.db2.gz IJKLBINBCIHEOL-OAHLLOKOSA-N 1 0 280.375 3.029 10 0 CGAERO C[C@H]([NH3+])[C@H](CC1CCC1)N1CCCc2ccccc21 ZINC000148780186 346128995 /nfs/dbraw/zinc/12/89/95/346128995.db2.gz PRWNUHHMGRHAGI-GUYCJALGSA-N 1 0 258.409 3.345 10 0 CGAERO C[NH2+][C@H](C)c1c(F)cc(Br)cc1F ZINC000162747781 346179469 /nfs/dbraw/zinc/17/94/69/346179469.db2.gz AKBUHBLCIPABTI-RXMQYKEDSA-N 1 0 250.086 3.008 10 0 CGAERO C[NH2+][C@@H](c1c(F)cccc1Br)C1CC1 ZINC000165160801 346184262 /nfs/dbraw/zinc/18/42/62/346184262.db2.gz GMHUSDUBDMTDFY-LLVKDONJSA-N 1 0 258.134 3.259 10 0 CGAERO Cc1cc2c(c(-c3ccccc3F)c1)O[C@@H](C[NH3+])C2 ZINC000166964536 346187596 /nfs/dbraw/zinc/18/75/96/346187596.db2.gz UHVOZDMJGKHOGD-GFCCVEGCSA-N 1 0 257.308 3.063 10 0 CGAERO Cc1cccc(CO[C@H]2C[NH2+]CC[C@H]2c2ccoc2)c1 ZINC000169106056 346191900 /nfs/dbraw/zinc/19/19/00/346191900.db2.gz HNCBMNIJIFASAN-IRXDYDNUSA-N 1 0 271.360 3.250 10 0 CGAERO Cc1cc(N)c2cc(Br)c(F)cc2[nH+]1 ZINC000169134460 346191916 /nfs/dbraw/zinc/19/19/16/346191916.db2.gz HUSUOQROFLUEGU-UHFFFAOYSA-N 1 0 255.090 3.027 10 0 CGAERO COc1ccccc1N1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000202267236 346280499 /nfs/dbraw/zinc/28/04/99/346280499.db2.gz SIFBWQMIVKFLQO-CVEARBPZSA-N 1 0 288.435 3.396 10 0 CGAERO COc1ccccc1N1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000202267278 346280580 /nfs/dbraw/zinc/28/05/80/346280580.db2.gz SIFBWQMIVKFLQO-HZPDHXFCSA-N 1 0 288.435 3.396 10 0 CGAERO C[NH2+]CCc1ccc2c3cccc(OC)c3[nH]c2c1C ZINC000224425148 346301675 /nfs/dbraw/zinc/30/16/75/346301675.db2.gz JDVYAFGLHHMJCC-UHFFFAOYSA-N 1 0 268.360 3.400 10 0 CGAERO [NH3+]C[C@H](CC1(C(F)F)CC1)c1ccc(C2CC2)nc1 ZINC000217365662 346290716 /nfs/dbraw/zinc/29/07/16/346290716.db2.gz RKUMXTAXELAABG-LBPRGKRZSA-N 1 0 266.335 3.437 10 0 CGAERO CC1(C)C[C@@H]1[C@H]([NH3+])Cc1sccc1Br ZINC000232841500 346328249 /nfs/dbraw/zinc/32/82/49/346328249.db2.gz HTGALLAXEBCVHN-VXNVDRBHSA-N 1 0 274.227 3.427 10 0 CGAERO C[NH2+]C[C@H]1C[C@@H]1c1ccc(Br)c(Cl)c1 ZINC000234368910 346331466 /nfs/dbraw/zinc/33/14/66/346331466.db2.gz KFJAFOSHYIWTJX-RKDXNWHRSA-N 1 0 274.589 3.425 10 0 CGAERO C[C@@H]1CC(C)(C)C[C@@]12C[NH+]=C(N)N2Cc1ccccc1 ZINC000235287082 346334177 /nfs/dbraw/zinc/33/41/77/346334177.db2.gz ABOJSDXVUQOGQD-CXAGYDPISA-N 1 0 271.408 3.012 10 0 CGAERO COc1ccc([C@H]2C[C@H]([NH3+])c3ccccc3O2)cc1OC ZINC000229094050 346316188 /nfs/dbraw/zinc/31/61/88/346316188.db2.gz FRSNCCFGBBOJSG-XJKSGUPXSA-N 1 0 285.343 3.227 10 0 CGAERO Cc1cccc([C@H]([NH3+])C2CC2)c1I ZINC000229296617 346317013 /nfs/dbraw/zinc/31/70/13/346317013.db2.gz DBVBWNMGRLAERC-LLVKDONJSA-N 1 0 287.144 3.009 10 0 CGAERO C[C@@H]1CC[C@H]([C@@H]([NH3+])c2cscc2Br)O1 ZINC000229836646 346319188 /nfs/dbraw/zinc/31/91/88/346319188.db2.gz KKGZPRALDTWMGU-DRTBCBBWSA-N 1 0 276.199 3.078 10 0 CGAERO CCc1cnc(C[NH2+]C2C3CC4CC(C3)CC2C4)o1 ZINC000231636624 346322973 /nfs/dbraw/zinc/32/29/73/346322973.db2.gz SLBSWIBVNLECRV-UHFFFAOYSA-N 1 0 260.381 3.151 10 0 CGAERO c1ccc2c(c1)CC[NH2+][C@@H]2c1cccc2ccncc21 ZINC000232049145 346324799 /nfs/dbraw/zinc/32/47/99/346324799.db2.gz DFIKULKZFPEKMR-SFHVURJKSA-N 1 0 260.340 3.470 10 0 CGAERO [NH3+][C@@H](CF)c1cc(Br)ccc1Br ZINC000238572407 346349708 /nfs/dbraw/zinc/34/97/08/346349708.db2.gz OIHNKNJSEAFGBU-QMMMGPOBSA-N 1 0 296.965 3.181 10 0 CGAERO CC[C@H](c1ccc(F)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247148744 346368463 /nfs/dbraw/zinc/36/84/63/346368463.db2.gz RUGSKZLQVKSIFN-JKSUJKDBSA-N 1 0 262.372 3.057 10 0 CGAERO CC(C)[C@H](C[NH2+][C@@H]1CCCC[C@H]1O)c1ccccc1 ZINC000300454765 346437741 /nfs/dbraw/zinc/43/77/41/346437741.db2.gz SVKNIBUIGSSFIL-GVDBMIGSSA-N 1 0 261.409 3.319 10 0 CGAERO Cc1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000306344492 346453183 /nfs/dbraw/zinc/45/31/83/346453183.db2.gz MXXOEYRBTKBQSD-INIZCTEOSA-N 1 0 267.376 3.076 10 0 CGAERO [NH3+][C@@H]1CC/C(=C/c2ccsc2Br)C1 ZINC000306593392 346455418 /nfs/dbraw/zinc/45/54/18/346455418.db2.gz ADODUZBCCDSOQQ-WILPJHFFSA-N 1 0 258.184 3.405 10 0 CGAERO CC(C)C[C@H]([NH3+])c1ccc(O)c(Br)c1 ZINC000306913284 346458904 /nfs/dbraw/zinc/45/89/04/346458904.db2.gz SYGYRURENLRCRH-JTQLQIEISA-N 1 0 258.159 3.201 10 0 CGAERO [NH3+]Cc1coc2c1c(F)c(Br)cc2Cl ZINC000307706581 346464773 /nfs/dbraw/zinc/46/47/73/346464773.db2.gz ZYSBMHYIIYEMCW-UHFFFAOYSA-N 1 0 278.508 3.447 10 0 CGAERO F[C@@]1(c2ccccn2)CC[N@H+](Cc2ccccc2)C1 ZINC000409432826 346606167 /nfs/dbraw/zinc/60/61/67/346606167.db2.gz YDDMBFPXSFCXSX-INIZCTEOSA-N 1 0 256.324 3.152 10 0 CGAERO CC[N@@H+]1CCCC2=C1CCc1c2ccc(OC)c1OC ZINC000584597373 346688426 /nfs/dbraw/zinc/68/84/26/346688426.db2.gz CEHBRCUWQGKWRF-UHFFFAOYSA-N 1 0 273.376 3.477 10 0 CGAERO O=[N+]1N=C(c2ccc(Cl)cc2)Cc2ccccc21 ZINC000584601074 346689907 /nfs/dbraw/zinc/68/99/07/346689907.db2.gz LAALAQXATCNODK-UHFFFAOYSA-N 1 0 257.700 3.403 10 0 CGAERO O[C@H](c1ccc(F)cc1)[C@H]1CC[N@@H+]2CCCC[C@H]2C1 ZINC000584625293 346697363 /nfs/dbraw/zinc/69/73/63/346697363.db2.gz JVBGIQKPXVCVSA-CWRNSKLLSA-N 1 0 263.356 3.124 10 0 CGAERO C[NH+](C)CCC[C@@]1(O)c2ccccc2C=Cc2cnccc21 ZINC000584638308 346701404 /nfs/dbraw/zinc/70/14/04/346701404.db2.gz MNVPDIDKXHYINO-LJQANCHMSA-N 1 0 294.398 3.143 10 0 CGAERO Brc1ccc2nc([C@@H]3CCC[NH2+]3)sc2c1 ZINC000086479185 179300391 /nfs/dbraw/zinc/30/03/91/179300391.db2.gz OYNCGTMONUVEDY-VIFPVBQESA-N 1 0 283.194 3.483 10 0 CGAERO CC1([C@@H]([NH3+])Cc2ccc(Br)cc2)CC1 ZINC000087550795 179445051 /nfs/dbraw/zinc/44/50/51/179445051.db2.gz OHJATECXKQQSIB-NSHDSACASA-N 1 0 254.171 3.119 10 0 CGAERO CCOC(=O)c1ccccc1[C@@H]1CCCC[N@@H+]1CC ZINC000616615838 348846824 /nfs/dbraw/zinc/84/68/24/348846824.db2.gz VCBKSSFNFKGSJK-HNNXBMFYSA-N 1 0 261.365 3.410 10 0 CGAERO CCOC(=O)c1ccccc1[C@H]1CCC[N@H+](CC)C1 ZINC000616617576 348847543 /nfs/dbraw/zinc/84/75/43/348847543.db2.gz USJGPTBJRFBGIP-ZDUSSCGKSA-N 1 0 261.365 3.063 10 0 CGAERO COc1ccc(Cl)cc1-c1cnc([C@@H]2CCC[NH2+]2)cn1 ZINC000616577798 348834896 /nfs/dbraw/zinc/83/48/96/348834896.db2.gz IZMLTCRPQWEZPK-LBPRGKRZSA-N 1 0 289.766 3.230 10 0 CGAERO CC(C)[N@@H+]1CCO[C@@H](c2cccc3cccnc32)CC1 ZINC000616595638 348839262 /nfs/dbraw/zinc/83/92/62/348839262.db2.gz OCUBPSZDJAIARB-MRXNPFEDSA-N 1 0 270.376 3.407 10 0 CGAERO CC(C)(C)[N@@H+]1CCCOC[C@H]1c1cccc2nnccc21 ZINC000616598418 348839836 /nfs/dbraw/zinc/83/98/36/348839836.db2.gz ZHPOYMZSFHCATJ-INIZCTEOSA-N 1 0 285.391 3.192 10 0 CGAERO CC[N@@H+]1CCCOC[C@H]1c1ccnc2ccccc21 ZINC000616597741 348839880 /nfs/dbraw/zinc/83/98/80/348839880.db2.gz RNWHMYCUPTYAMY-INIZCTEOSA-N 1 0 256.349 3.018 10 0 CGAERO CC(C)[N@@H+]1CCOC[C@@H](c2nccc3ccccc32)C1 ZINC000616598070 348840432 /nfs/dbraw/zinc/84/04/32/348840432.db2.gz NYAURGRQEFLJPI-HNNXBMFYSA-N 1 0 270.376 3.059 10 0 CGAERO CC[N@@H+]1CCCOC[C@H]1c1ccc2ccccc2n1 ZINC000616597837 348840637 /nfs/dbraw/zinc/84/06/37/348840637.db2.gz SYIXXVLCWKYCSM-INIZCTEOSA-N 1 0 256.349 3.018 10 0 CGAERO CC(C)[N@@H+]1CCOCC[C@@H]1c1cccc2ncccc21 ZINC000616599950 348841188 /nfs/dbraw/zinc/84/11/88/348841188.db2.gz ZMCACSMTSXPQMU-QGZVFWFLSA-N 1 0 270.376 3.407 10 0 CGAERO CC(=O)Nc1ccc([C@H]2COCCC[N@@H+]2C(C)(C)C)cc1 ZINC000616600059 348841416 /nfs/dbraw/zinc/84/14/16/348841416.db2.gz ZOFKCUBRKFYAHX-MRXNPFEDSA-N 1 0 290.407 3.207 10 0 CGAERO CC(C)[N@@H+]1CCCO[C@@H](c2cccc3ccncc32)C1 ZINC000616599651 348841844 /nfs/dbraw/zinc/84/18/44/348841844.db2.gz YDJQQTYIBIBCKM-QGZVFWFLSA-N 1 0 270.376 3.407 10 0 CGAERO CC(C)[N@@H+]1CCCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000616601408 348842250 /nfs/dbraw/zinc/84/22/50/348842250.db2.gz CCKXGXMBTCHMAI-CYBMUJFWSA-N 1 0 270.417 3.022 10 0 CGAERO CC(C)[C@H]1CCCC[N@H+](CCNC(=O)OC(C)(C)C)C1 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CCCC[C@H](CC)C(=O)NCCC[NH+](CC)CC ZINC000005591109 170116951 /nfs/dbraw/zinc/11/69/51/170116951.db2.gz TXEXUQVYNTUNDQ-AWEZNQCLSA-N 1 0 256.434 3.051 10 0 CGAERO CN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@H]1[NH+]1CCCC1 ZINC000005950380 170160826 /nfs/dbraw/zinc/16/08/26/170160826.db2.gz GQGXQIOMJWGXRI-UONOGXRCSA-N 1 0 282.428 3.260 10 0 CGAERO COc1ccc([C@@H]2CC[C@H]3CCCC[N@@H+]3C2)cc1OC ZINC000006018652 170168385 /nfs/dbraw/zinc/16/83/85/170168385.db2.gz WWZYSFVVLXIGSX-HUUCEWRRSA-N 1 0 275.392 3.436 10 0 CGAERO CC[NH+](CC)CC[C@@H](O)c1ccc(Br)cc1 ZINC000006382380 170196641 /nfs/dbraw/zinc/19/66/41/170196641.db2.gz WWPDDFGRZJHXPL-CYBMUJFWSA-N 1 0 286.213 3.214 10 0 CGAERO CC(C)[NH2+]Cc1nccn1Cc1c(F)cccc1Cl ZINC000006687673 170226554 /nfs/dbraw/zinc/22/65/54/170226554.db2.gz HVEQNWYFJLNJDC-UHFFFAOYSA-N 1 0 281.762 3.222 10 0 CGAERO COc1ccc(C[C@@H]([NH3+])Cc2ccccc2C)cc1 ZINC000011600162 170425357 /nfs/dbraw/zinc/42/53/57/170425357.db2.gz HKNQQAHDQGJCQY-MRXNPFEDSA-N 1 0 255.361 3.116 10 0 CGAERO [NH3+][C@H](Cc1cccc(Cl)c1)c1ccc2c(c1)OCO2 ZINC000011604068 170426349 /nfs/dbraw/zinc/42/63/49/170426349.db2.gz VQESDCMURVVPFB-CYBMUJFWSA-N 1 0 275.735 3.311 10 0 CGAERO C[NH2+]C[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1 ZINC000011892421 170455661 /nfs/dbraw/zinc/45/56/61/170455661.db2.gz KXGCSVWKISCUGT-VIFPVBQESA-N 1 0 259.180 3.039 10 0 CGAERO Cc1ccc(C[NH2+]C23C[C@H]4C[C@H](CC(O)(C4)C2)C3)cc1 ZINC000018043690 170740472 /nfs/dbraw/zinc/74/04/72/170740472.db2.gz HSUOENVBNOGJIE-OQSMONGASA-N 1 0 271.404 3.168 10 0 CGAERO Cc1cc(C)c(C(=O)Nc2ccc(C[NH3+])cc2)c(C)c1 ZINC000019273996 170768663 /nfs/dbraw/zinc/76/86/63/170768663.db2.gz AFIGCQBLLSXTSJ-UHFFFAOYSA-N 1 0 268.360 3.323 10 0 CGAERO CCCOc1ccccc1OC[C@H]([NH3+])C(C)(C)C ZINC000019387137 170779830 /nfs/dbraw/zinc/77/98/30/170779830.db2.gz GYUSRZISJYLJMU-AWEZNQCLSA-N 1 0 251.370 3.228 10 0 CGAERO Cc1cccc(C)c1OCc1ccc(C[NH3+])cc1F ZINC000019406092 170787194 /nfs/dbraw/zinc/78/71/94/170787194.db2.gz QOPFBSQXQKJUKM-UHFFFAOYSA-N 1 0 259.324 3.480 10 0 CGAERO C[NH2+]Cc1ccc(OCCOc2cccc(C)c2)cc1 ZINC000019777741 170861237 /nfs/dbraw/zinc/86/12/37/170861237.db2.gz UAIRWJYVCFAQLH-UHFFFAOYSA-N 1 0 271.360 3.172 10 0 CGAERO CC(C)CC[C@@](C)(C[NH3+])N1CCc2ccccc2C1 ZINC000019807894 170876850 /nfs/dbraw/zinc/87/68/50/170876850.db2.gz HJAZPGBTOHLGCH-KRWDZBQOSA-N 1 0 260.425 3.198 10 0 CGAERO CCC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@@H](OCC(F)(F)F)C1 ZINC000020019056 170971354 /nfs/dbraw/zinc/97/13/54/170971354.db2.gz AQYFXJIIVBUDHU-MXWKQRLJSA-N 1 0 267.335 3.498 10 0 CGAERO CC(C)[C@@H](C[NH2+][C@@H]1CCSc2ccccc21)N(C)C ZINC000020145731 171031262 /nfs/dbraw/zinc/03/12/62/171031262.db2.gz ABQQURPKSGFADI-HUUCEWRRSA-N 1 0 278.465 3.399 10 0 CGAERO Cc1ccc([C@H](C)[NH2+]C[C@H](C(C)C)N(C)C)s1 ZINC000020145865 171032026 /nfs/dbraw/zinc/03/20/26/171032026.db2.gz YKHMUOVMRAZWKY-QWHCGFSZSA-N 1 0 254.443 3.293 10 0 CGAERO c1coc(COCCC[NH2+]CC2CCCCC2)c1 ZINC000020146993 171033784 /nfs/dbraw/zinc/03/37/84/171033784.db2.gz XDRYQUONFPTCLZ-UHFFFAOYSA-N 1 0 251.370 3.356 10 0 CGAERO C[C@H]([NH2+]C(C)(C)CO)c1ccc(C(F)(F)F)cc1 ZINC000020196816 171061109 /nfs/dbraw/zinc/06/11/09/171061109.db2.gz WOWWFGYVRRIRLM-VIFPVBQESA-N 1 0 261.287 3.127 10 0 CGAERO CC(C)COc1ccc([C@H](C)[NH2+]C(C)(C)CO)cc1 ZINC000020196892 171061369 /nfs/dbraw/zinc/06/13/69/171061369.db2.gz QXWCVYZMXZWZHV-ZDUSSCGKSA-N 1 0 265.397 3.143 10 0 CGAERO [NH3+]C[C@@H](c1ccccc1Cl)N1CCc2ccccc2C1 ZINC000020225891 171089516 /nfs/dbraw/zinc/08/95/16/171089516.db2.gz AARMZCLXCHVRPG-KRWDZBQOSA-N 1 0 286.806 3.398 10 0 CGAERO C[N@H+](CC1CC1)[C@@H](CN)c1ccc(C(C)(C)C)cc1 ZINC000020226326 171091979 /nfs/dbraw/zinc/09/19/79/171091979.db2.gz SOWTWPIJJQSTHX-INIZCTEOSA-N 1 0 260.425 3.326 10 0 CGAERO CC(C)(C)c1ccc([C@H](C[NH3+])N2CCSCC2)cc1 ZINC000020257006 171111951 /nfs/dbraw/zinc/11/19/51/171111951.db2.gz ZLKKEFVWLHEOTB-HNNXBMFYSA-N 1 0 278.465 3.033 10 0 CGAERO [NH3+]C[C@H](c1ccc(F)c(F)c1)N1CCCCCCC1 ZINC000020265185 171122079 /nfs/dbraw/zinc/12/20/79/171122079.db2.gz MZJZSVISMXQTCH-OAHLLOKOSA-N 1 0 268.351 3.231 10 0 CGAERO N[C@H](CC[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC000020273976 171131115 /nfs/dbraw/zinc/13/11/15/171131115.db2.gz FDKVMLFJBNOKIV-OAHLLOKOSA-N 1 0 250.361 3.092 10 0 CGAERO Cc1ccc([C@@H]([NH3+])Cc2nc3ccccc3s2)o1 ZINC000020428109 171193345 /nfs/dbraw/zinc/19/33/45/171193345.db2.gz ZIEPUBLCCPYKBR-JTQLQIEISA-N 1 0 258.346 3.440 10 0 CGAERO [NH3+][C@@H](Cc1nc2ccccc2o1)c1cccc(F)c1 ZINC000020427995 171193698 /nfs/dbraw/zinc/19/36/98/171193698.db2.gz JUAZLIBZOFXJAG-LBPRGKRZSA-N 1 0 256.280 3.209 10 0 CGAERO Cc1cc([C@H]([NH3+])[C@@H]2Cc3ccccc3O2)c(C)s1 ZINC000020431441 171195912 /nfs/dbraw/zinc/19/59/12/171195912.db2.gz CFYLNCUWSZIAAO-GJZGRUSLSA-N 1 0 259.374 3.368 10 0 CGAERO Cc1cc(Br)ccc1N[C@@H]1C[NH+]2CCC1CC2 ZINC000020440474 171204349 /nfs/dbraw/zinc/20/43/49/171204349.db2.gz SEEFWMYVUQFWLC-CQSZACIVSA-N 1 0 295.224 3.264 10 0 CGAERO c1coc([C@@H]([NH2+]CCCn2ccnc2)c2ccccc2)c1 ZINC000020506173 171228535 /nfs/dbraw/zinc/22/85/35/171228535.db2.gz JQFMNRRSIKPSGZ-KRWDZBQOSA-N 1 0 281.359 3.245 10 0 CGAERO CCCCCC[C@@H](C[NH3+])N1CCc2sccc2C1 ZINC000020520569 171234107 /nfs/dbraw/zinc/23/41/07/171234107.db2.gz BHUMPCRMXSUTDN-AWEZNQCLSA-N 1 0 266.454 3.404 10 0 CGAERO C[NH2+]CCOc1ccc2cc(Br)ccc2c1 ZINC000020525269 171238267 /nfs/dbraw/zinc/23/82/67/171238267.db2.gz KCUWAXAWRYITET-UHFFFAOYSA-N 1 0 280.165 3.201 10 0 CGAERO Cc1cc(Nc2cc[nH+]cc2N)ccc1Br ZINC000020585235 171258715 /nfs/dbraw/zinc/25/87/15/171258715.db2.gz ITUHSUSZXCFMQF-UHFFFAOYSA-N 1 0 278.153 3.478 10 0 CGAERO Cc1ccc(COc2ccccc2C[NH2+]C(C)(C)CO)cc1 ZINC000020873587 171277396 /nfs/dbraw/zinc/27/73/96/171277396.db2.gz PGIQLKHVXRPMEV-UHFFFAOYSA-N 1 0 299.414 3.435 10 0 CGAERO N[C@H](C[NH+]1CCCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000021060655 171296728 /nfs/dbraw/zinc/29/67/28/171296728.db2.gz FGPJRGOJZDNUJB-AWDGRILASA-N 1 0 276.468 3.406 10 0 CGAERO C[C@H]1CCC[C@](C[NH3+])(N2CCCc3ccccc32)C1 ZINC000021506865 171308091 /nfs/dbraw/zinc/30/80/91/171308091.db2.gz OYHXBVOEYQZYIV-YOEHRIQHSA-N 1 0 258.409 3.347 10 0 CGAERO CC1CC[NH+]([C@@]2(CN)C[C@@H](C)CC(C)(C)C2)CC1 ZINC000021513793 171311393 /nfs/dbraw/zinc/31/13/93/171311393.db2.gz BQOZWJBHZMJZLL-HOCLYGCPSA-N 1 0 252.446 3.262 10 0 CGAERO NC[C@@]1([NH+]2CCCCCCC2)CCCc2ccccc21 ZINC000021517797 171314256 /nfs/dbraw/zinc/31/42/56/171314256.db2.gz ACNBTRCXHSTOGW-SFHVURJKSA-N 1 0 272.436 3.443 10 0 CGAERO Cc1cc(C)cc(C(=O)Nc2ccc(C[NH3+])cc2)c1 ZINC000022141534 171355116 /nfs/dbraw/zinc/35/51/16/171355116.db2.gz MUVAFVDMGJYMOQ-UHFFFAOYSA-N 1 0 254.333 3.014 10 0 CGAERO Cc1ccc(N)cc1NC(=O)CCC[N@H+]1CCC[C@H](C)C1 ZINC000022152334 171359764 /nfs/dbraw/zinc/35/97/64/171359764.db2.gz YAPUUODGDOPWIG-ZDUSSCGKSA-N 1 0 289.423 3.028 10 0 CGAERO C[C@H]([NH3+])c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 ZINC000022171644 171368098 /nfs/dbraw/zinc/36/80/98/171368098.db2.gz OWBARRWYVSZZFN-JTQLQIEISA-N 1 0 273.311 3.489 10 0 CGAERO CCN(c1ccccc1)[C@H](C[NH3+])c1ccc(F)cc1F ZINC000022174407 171369675 /nfs/dbraw/zinc/36/96/75/171369675.db2.gz BPXXZDVBGCQNKG-MRXNPFEDSA-N 1 0 276.330 3.491 10 0 CGAERO C[C@@H]1C[C@H]1c1ccc([C@@H](C[NH3+])N2CCCC[C@@H]2C)o1 ZINC000022223309 171379289 /nfs/dbraw/zinc/37/92/89/171379289.db2.gz HQHQPJSFLDSFMT-XJFOESAGSA-N 1 0 262.397 3.277 10 0 CGAERO CCC[NH+](CCC)C[C@@H](N)c1ccccc1OCC ZINC000022563135 171391427 /nfs/dbraw/zinc/39/14/27/171391427.db2.gz AIEORCNYEGPNHF-OAHLLOKOSA-N 1 0 264.413 3.207 10 0 CGAERO C[C@H](Oc1ccc(F)cc1F)[C@@H]([NH3+])c1ccccc1 ZINC000022564458 171391735 /nfs/dbraw/zinc/39/17/35/171391735.db2.gz OWYMACMJEXBHHO-ZUZCIYMTSA-N 1 0 263.287 3.432 10 0 CGAERO CC[C@@H]1OC(C)(C)c2ccc(O)cc2C12CC[NH+](C)CC2 ZINC000027757916 171532011 /nfs/dbraw/zinc/53/20/11/171532011.db2.gz KZJGHOMOOJELLK-INIZCTEOSA-N 1 0 289.419 3.400 10 0 CGAERO Cc1ccc(N(CC2=[NH+]CCN2)C2CCCCC2)cc1 ZINC000029466644 171599597 /nfs/dbraw/zinc/59/95/97/171599597.db2.gz CVOPKMOKCNOSBQ-UHFFFAOYSA-N 1 0 271.408 3.136 10 0 CGAERO CC(C)[NH2+]C[C@H](O)c1ccccc1OC1CCCC1 ZINC000032113173 171706614 /nfs/dbraw/zinc/70/66/14/171706614.db2.gz VSSIDJDADJJECI-HNNXBMFYSA-N 1 0 263.381 3.039 10 0 CGAERO CN(C)c1ccc(N2Cc3ccccc3C2=[NH2+])cc1 ZINC000032265473 171722872 /nfs/dbraw/zinc/72/28/72/171722872.db2.gz QISSAQKFARQPHY-UHFFFAOYSA-N 1 0 251.333 3.098 10 0 CGAERO CCN(CC)[C@@H](C[NH2+]C[C@@H]1CCCCO1)c1ccccc1 ZINC000035151274 172014039 /nfs/dbraw/zinc/01/40/39/172014039.db2.gz SGUJDJXNKQATIV-ROUUACIJSA-N 1 0 290.451 3.228 10 0 CGAERO C[C@@H]([NH2+][C@H]1CCCc2ccccc21)C(=O)NC1CCCC1 ZINC000035179119 172032227 /nfs/dbraw/zinc/03/22/27/172032227.db2.gz MMUSSNZWABYNLV-DYVFJYSZSA-N 1 0 286.419 3.101 10 0 CGAERO C[C@@H]([NH2+][C@H]1CCc2ccccc21)C(=O)Nc1ccccc1 ZINC000035180564 172034146 /nfs/dbraw/zinc/03/41/46/172034146.db2.gz VFMWYOWBTKTGDQ-DYVFJYSZSA-N 1 0 280.371 3.291 10 0 CGAERO CCN(CC)C(=O)[C@@H](C)[NH2+][C@H]1CCSc2ccccc21 ZINC000035224763 172069371 /nfs/dbraw/zinc/06/93/71/172069371.db2.gz PLMOJLSBLSJLMZ-OCCSQVGLSA-N 1 0 292.448 3.070 10 0 CGAERO Cc1cc(C)c(C[NH2+]C[C@@H](C(C)C)N(C)C)cc1C ZINC000035258495 172090265 /nfs/dbraw/zinc/09/02/65/172090265.db2.gz YRSXAHIEJYIJPC-KRWDZBQOSA-N 1 0 262.441 3.288 10 0 CGAERO Cc1cc([C@@H]2C[NH2+]C[C@H](c3ccccc3)O2)c(C)o1 ZINC000035285222 172103344 /nfs/dbraw/zinc/10/33/44/172103344.db2.gz XFSXXLWNDTWFBN-CVEARBPZSA-N 1 0 257.333 3.299 10 0 CGAERO Fc1ccccc1[C@@H]1C[NH2+]C[C@H](c2ccccc2)O1 ZINC000035285279 172103386 /nfs/dbraw/zinc/10/33/86/172103386.db2.gz JKWPXZBOEFJJPX-CVEARBPZSA-N 1 0 257.308 3.228 10 0 CGAERO COc1ccc([C@@H]([NH3+])c2ccoc2)cc1Br ZINC000035381645 172164351 /nfs/dbraw/zinc/16/43/51/172164351.db2.gz HSZCWMNOIQSBML-GFCCVEGCSA-N 1 0 282.137 3.099 10 0 CGAERO CC[C@@H](C)Oc1c(C[NH2+]C(C)C)cccc1OC ZINC000035413800 172186666 /nfs/dbraw/zinc/18/66/66/172186666.db2.gz PYDXOUQJJUHZLN-GFCCVEGCSA-N 1 0 251.370 3.371 10 0 CGAERO COc1ccc([C@H]([NH3+])c2ccc(C)s2)cc1F ZINC000035424411 172192722 /nfs/dbraw/zinc/19/27/22/172192722.db2.gz ZUSJPAAXMPCCLU-ZDUSSCGKSA-N 1 0 251.326 3.252 10 0 CGAERO C[NH2+][C@@H](c1cc(Br)ccc1OC)C1CC1 ZINC000035456598 172206826 /nfs/dbraw/zinc/20/68/26/172206826.db2.gz QHZLFJAMNKWVRO-GFCCVEGCSA-N 1 0 270.170 3.128 10 0 CGAERO C[NH2+][C@H](c1cccs1)c1c(OC)cccc1OC ZINC000035488308 172223328 /nfs/dbraw/zinc/22/33/28/172223328.db2.gz GMIUWXYMEUUOOL-CQSZACIVSA-N 1 0 263.362 3.074 10 0 CGAERO C[NH2+][C@@H](c1cc(C)oc1C)c1ccc(F)cc1F ZINC000035491541 172225538 /nfs/dbraw/zinc/22/55/38/172225538.db2.gz MTJSQDIKPOFUBE-CQSZACIVSA-N 1 0 251.276 3.483 10 0 CGAERO C[NH2+][C@@H](c1cc2c(cc1Cl)OCCCO2)C(C)C ZINC000035501131 172234889 /nfs/dbraw/zinc/23/48/89/172234889.db2.gz LEDCANPHWVQBIY-CQSZACIVSA-N 1 0 269.772 3.418 10 0 CGAERO C[NH2+][C@H](c1cc2c(cc1Cl)OCCO2)[C@H]1C[C@H]1C ZINC000035501416 172235553 /nfs/dbraw/zinc/23/55/53/172235553.db2.gz AXPLGUDTYAHKPV-ITMYJUKJSA-N 1 0 267.756 3.028 10 0 CGAERO CCC[NH2+][C@H](c1ccoc1)c1ccc2c(c1)CCO2 ZINC000035579071 172275267 /nfs/dbraw/zinc/27/52/67/172275267.db2.gz VTLNNLKIENHNSB-INIZCTEOSA-N 1 0 257.333 3.304 10 0 CGAERO CCC[NH2+]Cc1c(OCCOC)ccc2ccccc21 ZINC000035630678 172312516 /nfs/dbraw/zinc/31/25/16/172312516.db2.gz DYGDLECFBWAZGT-UHFFFAOYSA-N 1 0 273.376 3.365 10 0 CGAERO Brc1cccc2c1OCC[C@H]2[NH2+]C1CC1 ZINC000035654506 172331468 /nfs/dbraw/zinc/33/14/68/172331468.db2.gz BKCSNSNAECOSLV-LLVKDONJSA-N 1 0 268.154 3.025 10 0 CGAERO CN(Cc1ccsc1)[C@@H](C[NH3+])c1ccccc1F ZINC000035718737 172373412 /nfs/dbraw/zinc/37/34/12/172373412.db2.gz PBLOXHABFDFFAM-AWEZNQCLSA-N 1 0 264.369 3.019 10 0 CGAERO C[NH2+][C@H]1CCSc2c(Br)cccc21 ZINC000035762652 172401606 /nfs/dbraw/zinc/40/16/06/172401606.db2.gz WJHHHEYBYSUJKZ-VIFPVBQESA-N 1 0 258.184 3.205 10 0 CGAERO C[N@H+](CCCOc1cccc(N)c1)C1CCCCC1 ZINC000036671395 172649006 /nfs/dbraw/zinc/64/90/06/172649006.db2.gz PJPJKFROFAFZEO-UHFFFAOYSA-N 1 0 262.397 3.302 10 0 CGAERO C[C@@H](Nc1ccc(F)cc1F)[C@H]1CCC[N@H+](C)C1 ZINC000037210117 173031579 /nfs/dbraw/zinc/03/15/79/173031579.db2.gz YNIHKNGDFBFFNC-MNOVXSKESA-N 1 0 254.324 3.107 10 0 CGAERO CC[NH+]1CCC([C@H](C)Nc2ccc(OC)cc2)CC1 ZINC000037210421 173032657 /nfs/dbraw/zinc/03/26/57/173032657.db2.gz UMLBVXWHZFSHOG-ZDUSSCGKSA-N 1 0 262.397 3.228 10 0 CGAERO C[C@@H]([NH2+][C@H]1CN2CCC1CC2)c1ccc(F)cc1Cl ZINC000037211711 173033137 /nfs/dbraw/zinc/03/31/37/173033137.db2.gz DOSJWIJSXPSSPA-BMIGLBTASA-N 1 0 282.790 3.224 10 0 CGAERO Cc1csc2nc(C)c(C[NH2+]Cc3ccccc3F)n12 ZINC000037211948 173033760 /nfs/dbraw/zinc/03/37/60/173033760.db2.gz JVZCRCLOFOWPJH-UHFFFAOYSA-N 1 0 289.379 3.442 10 0 CGAERO CCC[NH+]1CCC([C@@H](C)Nc2cccc(O)c2)CC1 ZINC000037221549 173040627 /nfs/dbraw/zinc/04/06/27/173040627.db2.gz XHOOGTWTHYPTOS-CYBMUJFWSA-N 1 0 262.397 3.315 10 0 CGAERO CCCCCCOC(=O)Nc1ccc(C[NH3+])cc1 ZINC000037222976 173043309 /nfs/dbraw/zinc/04/33/09/173043309.db2.gz IWAMFEGAZCBGKB-UHFFFAOYSA-N 1 0 250.342 3.274 10 0 CGAERO CC[C@H](C)C[N@H+](C)Cc1cc(C(C)=O)ccc1OC ZINC000037315196 173116335 /nfs/dbraw/zinc/11/63/35/173116335.db2.gz GSPSPQIBHSHRNX-LBPRGKRZSA-N 1 0 263.381 3.376 10 0 CGAERO CC(C)[C@@H](C)[N@H+](C)CC(=O)c1ccc2c(c1)CCC2 ZINC000037339093 173140465 /nfs/dbraw/zinc/14/04/65/173140465.db2.gz ZUYUQBCLDYXPRS-CYBMUJFWSA-N 1 0 259.393 3.334 10 0 CGAERO CC(C)C[C@@H]([NH3+])c1nc2cc(Cl)ccc2n1C ZINC000037440189 173210409 /nfs/dbraw/zinc/21/04/09/173210409.db2.gz BPRNAWONJRRWOR-SNVBAGLBSA-N 1 0 251.761 3.273 10 0 CGAERO CCn1c2ccc(Cl)cc2nc1[C@@H]([NH3+])C(C)C ZINC000037440429 173210463 /nfs/dbraw/zinc/21/04/63/173210463.db2.gz POTPSWRQYWJUON-LBPRGKRZSA-N 1 0 251.761 3.365 10 0 CGAERO CC(C)n1c2ccc(Cl)cc2nc1C[C@@H](C)[NH3+] ZINC000037440659 173210497 /nfs/dbraw/zinc/21/04/97/173210497.db2.gz MQASVCLTCYBSQL-SECBINFHSA-N 1 0 251.761 3.160 10 0 CGAERO C[NH2+][C@H](Cc1cccc(Cl)c1)Cc1ccccn1 ZINC000037535362 173254397 /nfs/dbraw/zinc/25/43/97/173254397.db2.gz VEMKARKQSPNYNE-OAHLLOKOSA-N 1 0 260.768 3.108 10 0 CGAERO Cc1nc(COc2ccc(C)cc2[C@@H](C)[NH3+])cs1 ZINC000037710625 173631097 /nfs/dbraw/zinc/63/10/97/173631097.db2.gz PYOPRQMXCTYGER-SNVBAGLBSA-N 1 0 262.378 3.359 10 0 CGAERO Cc1cc(COc2ccc(Cl)cc2C[C@H](C)[NH3+])on1 ZINC000037725769 173644084 /nfs/dbraw/zinc/64/40/84/173644084.db2.gz IBNWBMYLYMDTAL-VIFPVBQESA-N 1 0 280.755 3.105 10 0 CGAERO C[NH2+]Cc1ccc(-c2ccc3nccnc3c2)s1 ZINC000037898386 173826130 /nfs/dbraw/zinc/82/61/30/173826130.db2.gz WGLCEAJMIQDABI-UHFFFAOYSA-N 1 0 255.346 3.078 10 0 CGAERO C[NH2+][C@@H](C)[C@@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000037949273 173889411 /nfs/dbraw/zinc/88/94/11/173889411.db2.gz KVZYLPKLESEJQE-UWVGGRQHSA-N 1 0 261.287 3.372 10 0 CGAERO CC[C@H](Cc1ccc(Br)s1)[C@H](C)[NH3+] ZINC000038004445 173966484 /nfs/dbraw/zinc/96/64/84/173966484.db2.gz TVMGAIVANSHFIL-JGVFFNPUSA-N 1 0 262.216 3.427 10 0 CGAERO C[NH2+]Cc1cc(-c2ccc(N(C)C)cc2)ccc1F ZINC000038070112 174081128 /nfs/dbraw/zinc/08/11/28/174081128.db2.gz HWAJMMZXCWYMQJ-UHFFFAOYSA-N 1 0 258.340 3.278 10 0 CGAERO CC[NH2+][C@H](Cc1cc(C)cc(C)c1)C[C@H]1CCCO1 ZINC000038077427 174087855 /nfs/dbraw/zinc/08/78/55/174087855.db2.gz NSMBNFKUMVNTRO-IAGOWNOFSA-N 1 0 261.409 3.393 10 0 CGAERO CCC[NH+](CCC)[C@@H](CN)c1cccc(Cl)c1 ZINC000039142640 174164041 /nfs/dbraw/zinc/16/40/41/174164041.db2.gz LBWKXYSVGLBMGA-AWEZNQCLSA-N 1 0 254.805 3.462 10 0 CGAERO COc1cccc(-c2nc(C[NH2+]C(C)C)cs2)c1 ZINC000040414303 174255787 /nfs/dbraw/zinc/25/57/87/174255787.db2.gz FGOJACSUCWIRQJ-UHFFFAOYSA-N 1 0 262.378 3.317 10 0 CGAERO Cc1cccc(NC[C@]2([NH+](C)C)CCC[C@H](C)C2)n1 ZINC000040670059 174368258 /nfs/dbraw/zinc/36/82/58/174368258.db2.gz NRSOGEGZAYUQRR-BBRMVZONSA-N 1 0 261.413 3.312 10 0 CGAERO C[NH2+]CC[C@H](c1ccc(OC)c(Cl)c1)C1CC1 ZINC000041324015 174520684 /nfs/dbraw/zinc/52/06/84/174520684.db2.gz MJYGPLIYUWNZQE-LBPRGKRZSA-N 1 0 253.773 3.452 10 0 CGAERO C[NH2+]C[C@H](c1cccc(Br)c1)C(C)C ZINC000041326385 174522856 /nfs/dbraw/zinc/52/28/56/174522856.db2.gz VBXCOUNGOKYYEE-LBPRGKRZSA-N 1 0 256.187 3.408 10 0 CGAERO COc1cccc([C@H]([NH3+])c2ccccc2Cl)c1OC ZINC000041655087 174593233 /nfs/dbraw/zinc/59/32/33/174593233.db2.gz TZJKXBDUHZCGMN-CQSZACIVSA-N 1 0 277.751 3.405 10 0 CGAERO CCCCCNC(=O)[C@@H](C)[NH2+][C@H](C)CCCCC ZINC000042570319 174799808 /nfs/dbraw/zinc/79/98/08/174799808.db2.gz ZHLUSECNUNSVIH-ZIAGYGMSSA-N 1 0 256.434 3.240 10 0 CGAERO C[NH2+][C@@H](c1sccc1C)[C@@H]1COc2ccccc2O1 ZINC000042729507 174858861 /nfs/dbraw/zinc/85/88/61/174858861.db2.gz IPWCHUWSUHZDLL-UONOGXRCSA-N 1 0 275.373 3.157 10 0 CGAERO CCC[NH2+]Cc1ccccc1N(CC)[C@H](C)COC ZINC000042777497 174874225 /nfs/dbraw/zinc/87/42/25/174874225.db2.gz QPIXINSBTUADAQ-CQSZACIVSA-N 1 0 264.413 3.047 10 0 CGAERO C[C@@H]1CCCC[C@H]1C[NH2+]CC(=O)Nc1ccccc1 ZINC000042862922 174894083 /nfs/dbraw/zinc/89/40/83/174894083.db2.gz HYFBCPHNMCBDFX-KGLIPLIRSA-N 1 0 260.381 3.041 10 0 CGAERO CC[C@H]([NH3+])[C@@H](c1cccc(F)c1)N(C)CC(F)(F)F ZINC000042972111 174934803 /nfs/dbraw/zinc/93/48/03/174934803.db2.gz FYNVBVUTCGCNDH-NWDGAFQWSA-N 1 0 278.293 3.098 10 0 CGAERO CC[C@@H]([NH3+])[C@@H](OCc1ccco1)c1ccccc1F ZINC000043046585 174956751 /nfs/dbraw/zinc/95/67/51/174956751.db2.gz XEICXOUFNLIFMU-CABCVRRESA-N 1 0 263.312 3.414 10 0 CGAERO C[C@H]([NH3+])[C@@H](Sc1nccn1C)c1ccccc1Cl ZINC000043088939 174963823 /nfs/dbraw/zinc/96/38/23/174963823.db2.gz SMCZUNSUYPUKTK-JOYOIKCWSA-N 1 0 281.812 3.254 10 0 CGAERO CC[C@H]([NH3+])[C@@H](c1cccs1)N(C)Cc1cccnc1 ZINC000043103845 174969392 /nfs/dbraw/zinc/96/93/92/174969392.db2.gz NCIPMIYCJLPGNR-ZFWWWQNUSA-N 1 0 275.421 3.054 10 0 CGAERO Nc1cc[nH+]c(Nc2ccc(Br)cc2)c1 ZINC000043568745 175067569 /nfs/dbraw/zinc/06/75/69/175067569.db2.gz MYECAPSKHZAORZ-UHFFFAOYSA-N 1 0 264.126 3.170 10 0 CGAERO CCCOc1ccc([C@@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000044113892 175141018 /nfs/dbraw/zinc/14/10/18/175141018.db2.gz NDRFMZHVWGPOCQ-DAYGRLMNSA-N 1 0 291.435 3.487 10 0 CGAERO CC(C)Oc1ccc([C@@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000044113940 175141264 /nfs/dbraw/zinc/14/12/64/175141264.db2.gz DPEYQVALNXYUGT-DAYGRLMNSA-N 1 0 291.435 3.485 10 0 CGAERO COc1ccc(Oc2ccccc2C[C@@H](C)[NH3+])cc1 ZINC000044460823 175177664 /nfs/dbraw/zinc/17/76/64/175177664.db2.gz DMXDLLRDGSAEMF-GFCCVEGCSA-N 1 0 257.333 3.377 10 0 CGAERO CC(C)[NH2+]Cc1nc2c(s1)CCc1ccccc1-2 ZINC000045205984 175327589 /nfs/dbraw/zinc/32/75/89/175327589.db2.gz PJFHGEZYHYPKTN-UHFFFAOYSA-N 1 0 258.390 3.407 10 0 CGAERO C[C@@H]([NH2+]Cc1ccc2c(c1)CC(C)(C)O2)[C@H]1CCCO1 ZINC000071170169 176051039 /nfs/dbraw/zinc/05/10/39/176051039.db2.gz XNJVCFRCMMHGJM-IUODEOHRSA-N 1 0 275.392 3.057 10 0 CGAERO Cc1c(Cl)nnc(N[C@@H](C)C[NH+]2CCCCC2)c1C ZINC000071171616 176051949 /nfs/dbraw/zinc/05/19/49/176051949.db2.gz OBDUHPIMAOPIIF-JTQLQIEISA-N 1 0 282.819 3.033 10 0 CGAERO Clc1ccc(CNC2=[NH+]C[C@H](C3CC3)S2)cc1 ZINC000071306613 176115930 /nfs/dbraw/zinc/11/59/30/176115930.db2.gz QQYCRIYIMSGYOO-GFCCVEGCSA-N 1 0 266.797 3.311 10 0 CGAERO Clc1ccc([C@H]2C[NH2+]C[C@@H](C3CC3)O2)c(Cl)c1 ZINC000071308622 176116134 /nfs/dbraw/zinc/11/61/34/176116134.db2.gz FGWGISFDHRSZQI-QWHCGFSZSA-N 1 0 272.175 3.433 10 0 CGAERO CCCN([C@@H](C)c1ccccc1Cl)[C@H]1CC[NH2+]C1 ZINC000071314769 176120962 /nfs/dbraw/zinc/12/09/62/176120962.db2.gz LJLDIMVQWIKNDA-STQMWFEESA-N 1 0 266.816 3.475 10 0 CGAERO CC[C@@H]1CN(Cc2ccc(F)cc2)[C@H](C(C)C)C[NH2+]1 ZINC000071343653 176130970 /nfs/dbraw/zinc/13/09/70/176130970.db2.gz VWEGHKJQTQUHPV-CVEARBPZSA-N 1 0 264.388 3.034 10 0 CGAERO CC[C@H]([NH2+]C)C(=O)c1ccc(OC)c(C(C)(C)C)c1 ZINC000071595558 176218688 /nfs/dbraw/zinc/21/86/88/176218688.db2.gz BVUZHWJBQYOPTK-ZDUSSCGKSA-N 1 0 263.381 3.173 10 0 CGAERO COC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CC[NH2+]C1 ZINC000072391783 176394018 /nfs/dbraw/zinc/39/40/18/176394018.db2.gz GDBZPYYGUSHIFH-LJQANCHMSA-N 1 0 295.382 3.049 10 0 CGAERO CCC[C@H](C[NH3+])CC(=O)Nc1cccc(Cl)c1 ZINC000076658854 177047519 /nfs/dbraw/zinc/04/75/19/177047519.db2.gz RWNMWWJDPHUZAG-JTQLQIEISA-N 1 0 254.761 3.044 10 0 CGAERO CCc1cccc(C)c1NC(=O)[C@H](CC[NH3+])C(C)C ZINC000076675555 177055908 /nfs/dbraw/zinc/05/59/08/177055908.db2.gz PBCIEOOYRGYXOL-CQSZACIVSA-N 1 0 262.397 3.117 10 0 CGAERO C[C@H](C[NH3+])CCC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000076676101 177056036 /nfs/dbraw/zinc/05/60/36/177056036.db2.gz FRBZSRJKIAXMJN-LBPRGKRZSA-N 1 0 262.397 3.298 10 0 CGAERO CC[C@@H](CCC[NH3+])C(=O)Nc1ccc(Cl)cc1C ZINC000076706022 177065581 /nfs/dbraw/zinc/06/55/81/177065581.db2.gz CDODUWQIPWTIEO-NSHDSACASA-N 1 0 268.788 3.352 10 0 CGAERO CC(C)[C@@H](C[NH3+])CCC(=O)Nc1cccc(Cl)c1 ZINC000076706051 177065776 /nfs/dbraw/zinc/06/57/76/177065776.db2.gz ZIYPXPLFNITROW-LLVKDONJSA-N 1 0 268.788 3.290 10 0 CGAERO C[C@@H](CCC[NH3+])C(=O)Nc1ccccc1C(F)(F)F ZINC000076719129 177069575 /nfs/dbraw/zinc/06/95/75/177069575.db2.gz RXWIWFCNDBDWRP-VIFPVBQESA-N 1 0 274.286 3.019 10 0 CGAERO Cc1ccc(NC(=O)CC[C@@H](C)C[NH3+])cc1Br ZINC000076870280 177125350 /nfs/dbraw/zinc/12/53/50/177125350.db2.gz IHYJSXSMJNYVSD-SECBINFHSA-N 1 0 299.212 3.071 10 0 CGAERO CC[C@@H]1CN(c2ccnc3cc(Cl)ccc32)CC[C@@H]1[NH3+] ZINC000123007645 416505757 /nfs/dbraw/zinc/50/57/57/416505757.db2.gz LQXQNIUGYTUPGN-RISCZKNCSA-N 1 0 289.810 3.452 10 0 CGAERO Cc1cc(C(C)C)nc(NC[C@H]([NH3+])c2ccccc2)n1 ZINC000122558117 416505833 /nfs/dbraw/zinc/50/58/33/416505833.db2.gz NVTFDWBJOGWPSC-AWEZNQCLSA-N 1 0 270.380 3.020 10 0 CGAERO CC(C)Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC2CC2)cc1 ZINC000130425928 287355173 /nfs/dbraw/zinc/35/51/73/287355173.db2.gz KQIRITRVKIPWBF-UONOGXRCSA-N 1 0 288.435 3.203 10 0 CGAERO C[C@@H](CC(=O)C[NH2+]Cc1ccccc1)CC(F)F ZINC000685960353 544111203 /nfs/dbraw/zinc/11/12/03/544111203.db2.gz GCYBDCOTTQAOHE-NSHDSACASA-N 1 0 255.308 3.027 10 0 CGAERO CC(C)(C)C(=O)N1CCCc2c1cccc2C(C)(C)[NH3+] ZINC000725270911 544115413 /nfs/dbraw/zinc/11/54/13/544115413.db2.gz VGGJAGUVVJZHMG-UHFFFAOYSA-N 1 0 274.408 3.206 10 0 CGAERO CC(C)C[C@H]1C[NH2+][C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000725256103 544113407 /nfs/dbraw/zinc/11/34/07/544113407.db2.gz UBXZJZGQVUTKDN-RHSMWYFYSA-N 1 0 296.455 3.412 10 0 CGAERO Clc1ccc(Cl)c(-c2cnnn2C2CC[NH2+]CC2)c1 ZINC000725266144 544114842 /nfs/dbraw/zinc/11/48/42/544114842.db2.gz PNBXCTLBGSYSHL-UHFFFAOYSA-N 1 0 297.189 3.176 10 0 CGAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000134639166 287451166 /nfs/dbraw/zinc/45/11/66/287451166.db2.gz FSFCCFXARPJVOG-YJNKXOJESA-N 1 0 251.414 3.118 10 0 CGAERO C[C@H](NC(=O)C1([NH3+])CC2(CCC2)C1)c1ccc(Cl)s1 ZINC000659283573 418970966 /nfs/dbraw/zinc/97/09/66/418970966.db2.gz QXJZDGUMSSKGAU-VIFPVBQESA-N 1 0 298.839 3.240 10 0 CGAERO C[C@H]([NH2+]C1CC(CO)C1)c1cccc(Cl)c1Cl ZINC000658352759 418946451 /nfs/dbraw/zinc/94/64/51/418946451.db2.gz YLFFPJZEKYYMTI-IDKOKCKLSA-N 1 0 274.191 3.415 10 0 CGAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCOc3ccccc32)CS1 ZINC000655683651 419063897 /nfs/dbraw/zinc/06/38/97/419063897.db2.gz UBLQOOGDWGBXOD-MBNYWOFBSA-N 1 0 263.406 3.384 10 0 CGAERO O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660464883 419148725 /nfs/dbraw/zinc/14/87/25/419148725.db2.gz NMJFQJGTMPZTLT-IZKTWJBDSA-N 1 0 263.425 3.048 10 0 CGAERO OCCC1([NH2+]C[C@H]2CCCCC2(F)F)CCCC1 ZINC000660682118 419181952 /nfs/dbraw/zinc/18/19/52/419181952.db2.gz HWTJTDKOWXPKME-GFCCVEGCSA-N 1 0 261.356 3.097 10 0 CGAERO Cc1nc(CN[C@H](C)c2cc(F)ccc2F)[nH]c1C ZINC000657301221 419246742 /nfs/dbraw/zinc/24/67/42/419246742.db2.gz WCGNKEHEJUKJRP-SNVBAGLBSA-N 1 0 265.307 3.156 10 0 CGAERO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3cc(OC)ccc32)CO1 ZINC000657336995 419253672 /nfs/dbraw/zinc/25/36/72/419253672.db2.gz DFRIKRAZKQEJCF-JJRVBVJISA-N 1 0 275.392 3.230 10 0 CGAERO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1cc2ccccc2s1 ZINC000658238977 419695753 /nfs/dbraw/zinc/69/57/53/419695753.db2.gz KPKRGTBZOXQPRN-VXGBXAGGSA-N 1 0 288.416 3.030 10 0 CGAERO OC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000223867082 287631215 /nfs/dbraw/zinc/63/12/15/287631215.db2.gz HGLZUFRVNKULOE-APHBMKBZSA-N 1 0 279.811 3.468 10 0 CGAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccccc1C(C)(C)C ZINC000094648543 262461483 /nfs/dbraw/zinc/46/14/83/262461483.db2.gz HLMYOQLWXPQJHR-QWHCGFSZSA-N 1 0 274.408 3.311 10 0 CGAERO CCCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1cccs1 ZINC000035206900 270027432 /nfs/dbraw/zinc/02/74/32/270027432.db2.gz SMWJGPXRDWANKK-NEPJUHHUSA-N 1 0 268.426 3.094 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+]C[C@H](C)c1ccccc1 ZINC000037166557 270028723 /nfs/dbraw/zinc/02/87/23/270028723.db2.gz AHSUILRVCUWZPS-DOTOQJQBSA-N 1 0 262.441 3.356 10 0 CGAERO CC(C)C[C@H](C)[NH2+][C@@H]1CCN(CCc2ccccc2)C1 ZINC000040671377 270029977 /nfs/dbraw/zinc/02/99/77/270029977.db2.gz SJWPEZKNASDDIZ-FUHWJXTLSA-N 1 0 274.452 3.328 10 0 CGAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)NCCC(C)C ZINC000042337301 270032538 /nfs/dbraw/zinc/03/25/38/270032538.db2.gz YHWYQZLXNLOUQK-GJZGRUSLSA-N 1 0 276.424 3.196 10 0 CGAERO CCCCNC(=O)C[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000102686768 270044835 /nfs/dbraw/zinc/04/48/35/270044835.db2.gz OAQJSBSHAWARPV-CQSZACIVSA-N 1 0 284.403 3.407 10 0 CGAERO CC(C)C[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1ccccc1 ZINC000105973710 270048068 /nfs/dbraw/zinc/04/80/68/270048068.db2.gz BBXOPIASWKJETG-OAHLLOKOSA-N 1 0 276.424 3.278 10 0 CGAERO CC(C)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000105782525 270048114 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C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2n1)[C@@H]1CCCO1 ZINC000177952159 274255402 /nfs/dbraw/zinc/25/54/02/274255402.db2.gz GEUJFIFCFZZUIG-AHIWAGSCSA-N 1 0 270.376 3.453 10 0 CGAERO O[C@@H]1c2ccccc2C[C@@H]1[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186196654 275055588 /nfs/dbraw/zinc/05/55/88/275055588.db2.gz YMHGVIKEQJKROJ-RBUKOAKNSA-N 1 0 291.394 3.192 10 0 CGAERO O[C@H](c1ccc(F)cc1)C1CC[NH+](C2CCC2)CC1 ZINC000179573044 275058389 /nfs/dbraw/zinc/05/83/89/275058389.db2.gz MTIXDNIQSJRXLZ-MRXNPFEDSA-N 1 0 263.356 3.124 10 0 CGAERO c1ccc(Cn2c3ccccc3c3c2C[NH2+]CC3)cc1 ZINC000002539084 275067273 /nfs/dbraw/zinc/06/72/73/275067273.db2.gz SROMRGBJXFAAJU-UHFFFAOYSA-N 1 0 262.356 3.335 10 0 CGAERO CC(C)(C)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000034962545 275517002 /nfs/dbraw/zinc/51/70/02/275517002.db2.gz QMMJMFVWLYQDCC-UHFFFAOYSA-N 1 0 286.169 3.066 10 0 CGAERO CC(C)(C)OC(=O)N1CC[C@@H](CC[NH3+])c2sccc2C1 ZINC000091303200 275825569 /nfs/dbraw/zinc/82/55/69/275825569.db2.gz RCSZTZLPYYJKIM-LLVKDONJSA-N 1 0 296.436 3.321 10 0 CGAERO CC[NH+](CC)CCCN1CCC[C@H](c2nccs2)C1 ZINC000191780230 276324615 /nfs/dbraw/zinc/32/46/15/276324615.db2.gz ZJXHCMYAJYIBGV-AWEZNQCLSA-N 1 0 281.469 3.054 10 0 CGAERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCC1(CO)CC1 ZINC000396031137 288012658 /nfs/dbraw/zinc/01/26/58/288012658.db2.gz ZUEBIRRNUPBJGN-UONOGXRCSA-N 1 0 253.430 3.344 10 0 CGAERO C[C@H](N[C@@H]1CCC[NH2+][C@@H]1C)c1cc2ccccc2o1 ZINC000396685739 288015387 /nfs/dbraw/zinc/01/53/87/288015387.db2.gz YAKBWYQYHXSRRD-MBNYWOFBSA-N 1 0 258.365 3.224 10 0 CGAERO C[C@H]([NH2+][C@@H](C)[C@H]1CC1(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000397684102 288027366 /nfs/dbraw/zinc/02/73/66/288027366.db2.gz JNNRUXKSJRIWCX-SLEUVZQESA-N 1 0 295.448 3.175 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc(Cl)nc1 ZINC000245628018 278272381 /nfs/dbraw/zinc/27/23/81/278272381.db2.gz RKQHZJNBTKBQNZ-ASEORRQLSA-N 1 0 280.799 3.343 10 0 CGAERO CC[C@H]([NH2+][C@H](C)c1nnc(C)s1)[C@H]1CC1(C)C ZINC000397710664 288028121 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ZINC000225818147 333241110 /nfs/dbraw/zinc/24/11/10/333241110.db2.gz UQIVKIHGMCYCLM-QGZVFWFLSA-N 1 0 272.392 3.122 10 0 CGAERO CC[NH2+]C1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000049526048 519908662 /nfs/dbraw/zinc/90/86/62/519908662.db2.gz OFIRVSDQPPJAEY-LBPRGKRZSA-N 1 0 266.816 3.475 10 0 CGAERO CC[NH2+]CC1(OC[C@H]2CCCCO2)CCC(C)CC1 ZINC000050490707 519913660 /nfs/dbraw/zinc/91/36/60/519913660.db2.gz BEQHVDHPCFIXDE-HWOWSKLDSA-N 1 0 269.429 3.131 10 0 CGAERO CCC[NH2+][C@@H](CSC)c1ccccc1OCC ZINC000055240958 520014543 /nfs/dbraw/zinc/01/45/43/520014543.db2.gz SLBDCKHPERINKX-ZDUSSCGKSA-N 1 0 253.411 3.489 10 0 CGAERO CC[NH2+]Cc1cnc(N2CC[C@@H]3CCCC[C@@H]3C2)s1 ZINC000054904801 520016266 /nfs/dbraw/zinc/01/62/66/520016266.db2.gz FMOFJEDJCBFMDD-QWHCGFSZSA-N 1 0 279.453 3.269 10 0 CGAERO CC[NH2+]Cc1sc(N2CCCC[C@H]2C)nc1CC ZINC000054995315 520033555 /nfs/dbraw/zinc/03/35/55/520033555.db2.gz PWGVFPHWBZWWQF-LLVKDONJSA-N 1 0 267.442 3.194 10 0 CGAERO CC[NH2+][C@@H](C)c1ccc(F)cc1OCCOC(C)C 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OC[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(Br)c1 ZINC000152350863 534394928 /nfs/dbraw/zinc/39/49/28/534394928.db2.gz MABDNMXVBQEWSK-TZMCWYRMSA-N 1 0 298.224 3.090 10 0 CGAERO CC(C)C[C@@H]1C[N@@H+]([C@H]2CCC[C@H](C)C2)CCCN1 ZINC000062624672 519271569 /nfs/dbraw/zinc/27/15/69/519271569.db2.gz XYPJHJJRIQFTSJ-XHSDSOJGSA-N 1 0 252.446 3.275 10 0 CGAERO CC(C)C1CCC(CN)([N@H+](C)C2CCCC2)CC1 ZINC000054556986 519561066 /nfs/dbraw/zinc/56/10/66/519561066.db2.gz CKNMNRFAJYJXPT-UHFFFAOYSA-N 1 0 252.446 3.405 10 0 CGAERO CC(C)N(C[C@@H](C)C[NH2+]C(C)(C)C)CC(F)(F)F ZINC000052485207 519651869 /nfs/dbraw/zinc/65/18/69/519651869.db2.gz DQDCJGZULAQDLV-NSHDSACASA-N 1 0 268.367 3.283 10 0 CGAERO CC(C)[NH2+]C[C@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC000054594356 519726213 /nfs/dbraw/zinc/72/62/13/519726213.db2.gz UMMRBFYNWLLQIH-YPMHNXCESA-N 1 0 255.308 3.390 10 0 CGAERO CC(C)OCCN1C[C@H](C(C)C)[NH2+]C[C@H]1c1ccccc1 ZINC000062706837 519766714 /nfs/dbraw/zinc/76/67/14/519766714.db2.gz YUYIRBSHFDNZII-MSOLQXFVSA-N 1 0 290.451 3.083 10 0 CGAERO CC(C)OCCOc1ccc([C@H](C)[NH3+])cc1Cl ZINC000061698900 519768927 /nfs/dbraw/zinc/76/89/27/519768927.db2.gz WHDZMUVHKNQUOX-JTQLQIEISA-N 1 0 257.761 3.164 10 0 CGAERO CC(C)[C@@H](C)[N@H+](C)Cc1cc2ccccc2nc1N ZINC000050814046 519791217 /nfs/dbraw/zinc/79/12/17/519791217.db2.gz SYPFAOWMVNPIFZ-GFCCVEGCSA-N 1 0 257.381 3.293 10 0 CGAERO CC(C)[C@@H]1C[NH2+]CCN1Cc1ccc(C(C)(C)C)cc1 ZINC000062668321 519804807 /nfs/dbraw/zinc/80/48/07/519804807.db2.gz FWCJWVOPINPEPQ-KRWDZBQOSA-N 1 0 274.452 3.414 10 0 CGAERO CC(C)[C@H](C[NH2+]C(C)(C)C)N1CCc2ccccc21 ZINC000052420200 519815865 /nfs/dbraw/zinc/81/58/65/519815865.db2.gz ZEGUFWFPGCIKLN-INIZCTEOSA-N 1 0 260.425 3.462 10 0 CGAERO CC(C)[C@H]1CNC(C)(C)C[N@@H+]1CCCc1ccccc1 ZINC000062668199 519827128 /nfs/dbraw/zinc/82/71/28/519827128.db2.gz OMSFIGKXIAXUEN-QGZVFWFLSA-N 1 0 274.452 3.328 10 0 CGAERO CCC1CCC(N(C)c2nc(C)c(C[NH3+])s2)CC1 ZINC000055001912 519853774 /nfs/dbraw/zinc/85/37/74/519853774.db2.gz WAOYKPGWDQPUQI-UHFFFAOYSA-N 1 0 267.442 3.315 10 0 CGAERO CC[NH2+]CC1(OCCOc2ccccc2)CCCC1 ZINC000050496233 519913588 /nfs/dbraw/zinc/91/35/88/519913588.db2.gz KMSVBKLLBBHGAL-UHFFFAOYSA-N 1 0 263.381 3.004 10 0 CGAERO CC[NH2+]CC1(c2ccccc2Br)CCOCC1 ZINC000055336162 519914686 /nfs/dbraw/zinc/91/46/86/519914686.db2.gz DMBLNUWZVZQVGO-UHFFFAOYSA-N 1 0 298.224 3.107 10 0 CGAERO CC[NH2+]CCC[C@H](C)Oc1ccc(OCC)cc1 ZINC000052652374 519920206 /nfs/dbraw/zinc/92/02/06/519920206.db2.gz OFNBHYYRBPWVGK-ZDUSSCGKSA-N 1 0 251.370 3.242 10 0 CGAERO CCC[NH2+]Cc1ccccc1OCCO[C@H](C)CC ZINC000052668952 519956275 /nfs/dbraw/zinc/95/62/75/519956275.db2.gz PBZSIMBCBFHXBC-CQSZACIVSA-N 1 0 265.397 3.380 10 0 CGAERO CCC[NH2+][C@@H](C)c1cccc(OCCCCCO)c1 ZINC000051019783 519989179 /nfs/dbraw/zinc/98/91/79/519989179.db2.gz TZVJIVAOQKPQFB-AWEZNQCLSA-N 1 0 265.397 3.289 10 0 CGAERO CCC[NH2+][C@@H](COC)c1cc(Cl)ccc1OC ZINC000055226321 520008775 /nfs/dbraw/zinc/00/87/75/520008775.db2.gz LDKVNUWQPPWTOS-LBPRGKRZSA-N 1 0 257.761 3.036 10 0 CGAERO CCC[NH2+][C@@H](C)c1cnc(N2CCCCC2)s1 ZINC000054901102 519990474 /nfs/dbraw/zinc/99/04/74/519990474.db2.gz MWEDYXFPPBKQMN-NSHDSACASA-N 1 0 253.415 3.194 10 0 CGAERO CCC[NH2+][C@@H](C)c1nc2cc(Cl)ccc2n1C ZINC000062366176 519991622 /nfs/dbraw/zinc/99/16/22/519991622.db2.gz WJFGFUORTJZBHJ-VIFPVBQESA-N 1 0 251.761 3.287 10 0 CGAERO CCC[NH2+][C@@H](c1cccs1)c1cncc(F)c1 ZINC000049576175 520018433 /nfs/dbraw/zinc/01/84/33/520018433.db2.gz OTABWBKGMSTPHG-CYBMUJFWSA-N 1 0 250.342 3.371 10 0 CGAERO CCC[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2Cl)C1 ZINC000049509022 520024457 /nfs/dbraw/zinc/02/44/57/520024457.db2.gz FQZZXMXOLRQNGM-QWHCGFSZSA-N 1 0 266.816 3.475 10 0 CGAERO CCC[NH2+][C@H](CCCOC)Cc1cccc(OC)c1 ZINC000053831411 520070308 /nfs/dbraw/zinc/07/03/08/520070308.db2.gz RDITWTRSFKKJIA-OAHLLOKOSA-N 1 0 265.397 3.033 10 0 CGAERO CC[NH2+][C@@H](Cc1cc(C)ccc1OC)CC(F)(F)F ZINC000050706912 520104578 /nfs/dbraw/zinc/10/45/78/520104578.db2.gz GQSQGXKHGOHCKO-LBPRGKRZSA-N 1 0 275.314 3.477 10 0 CGAERO CC[NH2+][C@@H]1CCN([C@@H](C)c2ccc(Br)cc2)C1 ZINC000049526068 520118742 /nfs/dbraw/zinc/11/87/42/520118742.db2.gz UBYJJBGYRFPAGV-SMDDNHRTSA-N 1 0 297.240 3.194 10 0 CGAERO CC[N@H+](C(C)C)[C@H](CC(N)=S)c1ccccc1 ZINC000055024597 520137132 /nfs/dbraw/zinc/13/71/32/520137132.db2.gz LHHQUMXERIWLEV-CYBMUJFWSA-N 1 0 250.411 3.134 10 0 CGAERO CC[NH2+][C@H](C)c1sc(N(CC)C(C)C)nc1C ZINC000054902406 520183242 /nfs/dbraw/zinc/18/32/42/520183242.db2.gz ZGSROUFAZSZLKJ-SNVBAGLBSA-N 1 0 255.431 3.357 10 0 CGAERO CC[NH2+][C@H](c1c(F)cc(F)cc1F)C1CCOCC1 ZINC000061671846 520206492 /nfs/dbraw/zinc/20/64/92/520206492.db2.gz MEKHFFSOWYILRW-AWEZNQCLSA-N 1 0 273.298 3.181 10 0 CGAERO CC[NH2+][C@H]1CCCc2nc(N(C)[C@@H](C)C3CC3)sc21 ZINC000054903837 520216117 /nfs/dbraw/zinc/21/61/17/520216117.db2.gz RZXJFXUZQJZNNC-JQWIXIFHSA-N 1 0 279.453 3.365 10 0 CGAERO CC1(C(=O)Nc2ccc(Cl)cc2Cl)CC[NH2+]CC1 ZINC000062839498 520233084 /nfs/dbraw/zinc/23/30/84/520233084.db2.gz GKJSYNONJUXXBZ-UHFFFAOYSA-N 1 0 287.190 3.322 10 0 CGAERO CCN(CC(CC)(CC)C[NH3+])c1ccc(F)cc1 ZINC000051251670 520415376 /nfs/dbraw/zinc/41/53/76/520415376.db2.gz DZEJHQWUBNJVMG-UHFFFAOYSA-N 1 0 252.377 3.417 10 0 CGAERO CCO[C@H](C[NH3+])CCSc1ccc2c(c1)CCC2 ZINC000062741955 520518378 /nfs/dbraw/zinc/51/83/78/520518378.db2.gz ZZEJARCAXVMCBR-AWEZNQCLSA-N 1 0 265.422 3.021 10 0 CGAERO CCCC[N@@H+]1CC(C)(C)NC[C@@H]1Cc1ccccc1 ZINC000062657466 520567081 /nfs/dbraw/zinc/56/70/81/520567081.db2.gz CACLOJOFGKVYIJ-INIZCTEOSA-N 1 0 260.425 3.082 10 0 CGAERO CCCCNC(=O)[C@@H](C)[NH2+][C@H]1CCCc2sccc21 ZINC000061362436 520650583 /nfs/dbraw/zinc/65/05/83/520650583.db2.gz VEVIKMBRKOYSLV-YPMHNXCESA-N 1 0 280.437 3.020 10 0 CGAERO CCCCOCCO[C@@H]1C[C@@H](C(C)C)CC[C@@H]1[NH2+]C ZINC000054556537 520791555 /nfs/dbraw/zinc/79/15/55/520791555.db2.gz WDIZYSMZGAVASC-HRCADAONSA-N 1 0 271.445 3.232 10 0 CGAERO CCC[C@H](NC(=O)[C@@](C)([NH3+])CCC)c1cccs1 ZINC000049546943 521139562 /nfs/dbraw/zinc/13/95/62/521139562.db2.gz KSZLJYQBEUNXRV-FZMZJTMJSA-N 1 0 268.426 3.223 10 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C[NH2+]Cc1sc(N(C)C2CC2)nc1-c1ccccc1 ZINC000054996421 522163812 /nfs/dbraw/zinc/16/38/12/522163812.db2.gz ZEBMMTOXRVEHIA-UHFFFAOYSA-N 1 0 273.405 3.128 10 0 CGAERO CC[C@H]([NH3+])Cc1ccnc(-c2cccc(Cl)c2)n1 ZINC000054834882 522335390 /nfs/dbraw/zinc/33/53/90/522335390.db2.gz DEKHOSGMRLWTGU-LBPRGKRZSA-N 1 0 261.756 3.077 10 0 CGAERO C[NH2+][C@@H](C)c1cnc(N(C)C2CCC(C)CC2)s1 ZINC000054909008 522336586 /nfs/dbraw/zinc/33/65/86/522336586.db2.gz AFCWPRIMPDAFMF-CXQJBGSLSA-N 1 0 267.442 3.438 10 0 CGAERO C[NH2+][C@@H](Cc1ccc(Cl)c(Cl)c1)c1cncnc1 ZINC000052887463 522358526 /nfs/dbraw/zinc/35/85/26/522358526.db2.gz DCCUHHMCCPJMIU-ZDUSSCGKSA-N 1 0 282.174 3.287 10 0 CGAERO C[NH2+][C@@H]1CCCC[C@@H]1OCc1ccccc1Cl ZINC000050503261 522378212 /nfs/dbraw/zinc/37/82/12/522378212.db2.gz IEQAHHIIAADESF-KGLIPLIRSA-N 1 0 253.773 3.387 10 0 CGAERO CCc1nc(N2CCCSCC2)sc1C[NH2+]C(C)C ZINC000055002210 522385074 /nfs/dbraw/zinc/38/50/74/522385074.db2.gz HPCXQHZNQNLMMT-UHFFFAOYSA-N 1 0 299.509 3.147 10 0 CGAERO CC[C@H](NC(=O)C[C@@H](C)C1CC[NH2+]CC1)c1cccs1 ZINC000152493159 522396670 /nfs/dbraw/zinc/39/66/70/522396670.db2.gz DHNPQFNXALXOCG-OCCSQVGLSA-N 1 0 294.464 3.341 10 0 CGAERO C[NH2+][C@H](Cc1ccc(Cl)cc1)c1cncc(F)c1 ZINC000049576324 522473557 /nfs/dbraw/zinc/47/35/57/522473557.db2.gz KECZMAXVOJBACO-CQSZACIVSA-N 1 0 264.731 3.377 10 0 CGAERO C[NH2+][C@H]1CCCc2nc(Cc3cccs3)sc21 ZINC000052900920 522499272 /nfs/dbraw/zinc/49/92/72/522499272.db2.gz OIKAALSLCKMJNL-JTQLQIEISA-N 1 0 264.419 3.392 10 0 CGAERO CCc1nc2ccccc2n1CC[NH2+]C(CC)CC ZINC000062808148 522502534 /nfs/dbraw/zinc/50/25/34/522502534.db2.gz ISDWXIYAGKVYDJ-UHFFFAOYSA-N 1 0 259.397 3.377 10 0 CGAERO CC[C@@H]([NH3+])[C@H](c1sccc1C)n1cnc(C)c1C ZINC000051925546 522655459 /nfs/dbraw/zinc/65/54/59/522655459.db2.gz ZQMHCXQEZUSJMX-CHWSQXEVSA-N 1 0 263.410 3.197 10 0 CGAERO CN(CCC[C@H]1CCCC[NH2+]1)c1cccc(F)c1 ZINC000050954263 522787886 /nfs/dbraw/zinc/78/78/86/522787886.db2.gz IZRRDVRIMNZHEO-CQSZACIVSA-N 1 0 250.361 3.184 10 0 CGAERO COCc1ccc(C[NH2+][C@@H]2CCOc3ccccc32)cc1 ZINC000088567568 522994283 /nfs/dbraw/zinc/99/42/83/522994283.db2.gz DAYAQTJJLIPSAQ-QGZVFWFLSA-N 1 0 283.371 3.446 10 0 CGAERO CC[C@@H]1CCCN([C@@H](C[NH3+])c2ccc(F)c(C)c2)C1 ZINC000050546099 523254460 /nfs/dbraw/zinc/25/44/60/523254460.db2.gz MIXFZANRVPEUBB-CJNGLKHVSA-N 1 0 264.388 3.256 10 0 CGAERO CC[C@H]1C[NH2+][C@H](C(C)C)CN1Cc1ccccc1C ZINC000068695137 523322331 /nfs/dbraw/zinc/32/23/31/523322331.db2.gz NRWFCPPWFOVQPV-IRXDYDNUSA-N 1 0 260.425 3.203 10 0 CGAERO COCCCOc1ccc(Cl)c(C[NH2+]C(C)(C)C)n1 ZINC000051522370 523415410 /nfs/dbraw/zinc/41/54/10/523415410.db2.gz GEFYHNGJXPUZTH-UHFFFAOYSA-N 1 0 286.803 3.038 10 0 CGAERO COc1ccc(C(=O)C[NH2+]C(C)C)cc1C(C)(C)C ZINC000049854402 523586482 /nfs/dbraw/zinc/58/64/82/523586482.db2.gz WYFDVMRSMJSNJY-UHFFFAOYSA-N 1 0 263.381 3.173 10 0 CGAERO CC[C@@](C)(C[NH2+]CCOC)Cc1ccc(F)cc1F ZINC000054661980 523639353 /nfs/dbraw/zinc/63/93/53/523639353.db2.gz NPFWSLPNAMZSQD-OAHLLOKOSA-N 1 0 271.351 3.160 10 0 CGAERO CCc1ccc(N(C)c2ncc(C[NH2+]C)s2)cc1 ZINC000054907925 523959175 /nfs/dbraw/zinc/95/91/75/523959175.db2.gz AYDQJLONHPKXPW-UHFFFAOYSA-N 1 0 261.394 3.193 10 0 CGAERO C[C@H](CCc1ccccc1)[N@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000054627012 524239809 /nfs/dbraw/zinc/23/98/09/524239809.db2.gz ZJTSEYHZDISTAM-BMFZPTHFSA-N 1 0 257.377 3.204 10 0 CGAERO Cc1cccc(C[N@H+]2C[C@@H](C)NC[C@@H]2CC(C)C)c1 ZINC000062657378 524405972 /nfs/dbraw/zinc/40/59/72/524405972.db2.gz YROKIKLNJPFUSV-WBVHZDCISA-N 1 0 260.425 3.203 10 0 CGAERO Cc1cc(C[NH2+]CC(C)C)nc(-c2cccs2)n1 ZINC000054832411 524753078 /nfs/dbraw/zinc/75/30/78/524753078.db2.gz NSHPIJMNGKKKRW-UHFFFAOYSA-N 1 0 261.394 3.259 10 0 CGAERO C[C@H]([NH3+])[C@@H](Oc1cccc(F)c1F)c1ccccc1 ZINC000062612229 524836663 /nfs/dbraw/zinc/83/66/63/524836663.db2.gz AUOYUZIHTDMLTD-ZUZCIYMTSA-N 1 0 263.287 3.432 10 0 CGAERO C[C@H]([NH3+])[C@H](c1ccsc1)n1ncc2ccccc21 ZINC000050524324 524855799 /nfs/dbraw/zinc/85/57/99/524855799.db2.gz NFJACNZJDLCPLV-IINYFYTJSA-N 1 0 257.362 3.034 10 0 CGAERO C[C@H]([NH3+])c1c(F)cccc1N1Cc2ccccc2C1 ZINC000050911448 524862140 /nfs/dbraw/zinc/86/21/40/524862140.db2.gz NTQLPEQVFJPYEL-NSHDSACASA-N 1 0 256.324 3.366 10 0 CGAERO Cc1cc(Cl)cc2nc([C@H]3CCC[NH2+]C3)oc21 ZINC000062536273 524878614 /nfs/dbraw/zinc/87/86/14/524878614.db2.gz HMNPQLNNCFXDFS-VIFPVBQESA-N 1 0 250.729 3.257 10 0 CGAERO COc1ccc(OCC(C)C)c(C[NH2+]CC(C)C)c1 ZINC000062727608 524937302 /nfs/dbraw/zinc/93/73/02/524937302.db2.gz USINTTAGWQICOO-UHFFFAOYSA-N 1 0 265.397 3.476 10 0 CGAERO C[C@H]1C[C@H](OCc2ccc[nH+]c2NN)CC(C)(C)C1 ZINC000052729210 524938185 /nfs/dbraw/zinc/93/81/85/524938185.db2.gz JCEGXYUBUFAITR-AAEUAGOBSA-N 1 0 263.385 3.099 10 0 CGAERO C[C@@H]([NH3+])[C@H](OC1CCC1)c1ccc(Br)s1 ZINC000050519406 525016880 /nfs/dbraw/zinc/01/68/80/525016880.db2.gz LVRWCVQQBOQIHC-HQJQHLMTSA-N 1 0 290.226 3.468 10 0 CGAERO Cc1ccccc1Cn1ccnc1C[NH2+]C(C)(C)C ZINC000051015614 525212126 /nfs/dbraw/zinc/21/21/26/525212126.db2.gz GMGJFCKATCHKKP-UHFFFAOYSA-N 1 0 257.381 3.128 10 0 CGAERO COc1ccc([C@@](C)([NH3+])c2cc(F)cc(F)c2)cc1 ZINC000055196474 525281642 /nfs/dbraw/zinc/28/16/42/525281642.db2.gz ARNJYNIBVZBEHT-OAHLLOKOSA-N 1 0 263.287 3.196 10 0 CGAERO C[C@@H](NC1=[NH+]C(C)(C)CS1)c1ccccc1F ZINC000049531601 525394448 /nfs/dbraw/zinc/39/44/48/525394448.db2.gz WQJUGUJTPRTXSM-SECBINFHSA-N 1 0 252.358 3.358 10 0 CGAERO COc1ccc([C@H]2CC[NH2+][C@H]2CC(C)C)cc1OC ZINC000054929042 525420771 /nfs/dbraw/zinc/42/07/71/525420771.db2.gz CAXJHDCSLQRZHV-KGLIPLIRSA-N 1 0 263.381 3.195 10 0 CGAERO Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1CC[NH3+] ZINC000054740914 526291382 /nfs/dbraw/zinc/29/13/82/526291382.db2.gz GCZYDTCHOOUPFU-UHFFFAOYSA-N 1 0 298.217 3.356 10 0 CGAERO Cc1csc(C[C@H]([NH3+])c2cnc3ccccc3c2)n1 ZINC000055267575 526366933 /nfs/dbraw/zinc/36/69/33/526366933.db2.gz FCDXMUIMHJRBHJ-ZDUSSCGKSA-N 1 0 269.373 3.242 10 0 CGAERO Fc1cccc(OCC[NH2+]CC2CCCC2)c1F ZINC000062655046 526398203 /nfs/dbraw/zinc/39/82/03/526398203.db2.gz IMYYAQLMTKMTJB-UHFFFAOYSA-N 1 0 255.308 3.123 10 0 CGAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCSCCCO ZINC000151225147 526718110 /nfs/dbraw/zinc/71/81/10/526718110.db2.gz BZEZVJUGIGLESK-KBPBESRZSA-N 1 0 273.486 3.297 10 0 CGAERO NC(=[NH2+])c1cc(Oc2ccc(Cl)c(Cl)c2)ccn1 ZINC000061814618 526822085 /nfs/dbraw/zinc/82/20/85/526822085.db2.gz WLUJXQBKFCENLU-UHFFFAOYSA-N 1 0 282.130 3.465 10 0 CGAERO Cc1sc2ncnc(N(C)CC[C@H]([NH3+])C(C)C)c2c1C ZINC000156792331 526898547 /nfs/dbraw/zinc/89/85/47/526898547.db2.gz AFTDJBZBWHOODI-LBPRGKRZSA-N 1 0 292.452 3.118 10 0 CGAERO Cc1nc(C[C@H]([NH3+])c2cccc(Cl)c2)cs1 ZINC000055294783 526922052 /nfs/dbraw/zinc/92/20/52/526922052.db2.gz YCHTZUVZWXAUFT-LBPRGKRZSA-N 1 0 252.770 3.347 10 0 CGAERO Cc1nc(N2CCC[C@H](C)C2)sc1C[NH2+]CC(C)C ZINC000054995575 526965928 /nfs/dbraw/zinc/96/59/28/526965928.db2.gz MUZFNOCMAWWGGG-LBPRGKRZSA-N 1 0 281.469 3.433 10 0 CGAERO Cc1nc([C@H]2CCC[C@@H](C)C2)nc(C)c1CCC[NH3+] ZINC000054836508 527083138 /nfs/dbraw/zinc/08/31/38/527083138.db2.gz WQJNSQCKVVGEHY-RISCZKNCSA-N 1 0 261.413 3.278 10 0 CGAERO [NH3+]Cc1ccc(-n2ccc(C(F)(F)F)n2)c(Cl)c1 ZINC000062793218 527251522 /nfs/dbraw/zinc/25/15/22/527251522.db2.gz MGUFPUWRONYTMQ-UHFFFAOYSA-N 1 0 275.661 3.003 10 0 CGAERO [NH3+][C@@H](Cc1ccc2ccccc2c1)[C@H]1CCCOC1 ZINC000062236860 527336214 /nfs/dbraw/zinc/33/62/14/527336214.db2.gz KOCMIDVVPCVNCH-IRXDYDNUSA-N 1 0 255.361 3.136 10 0 CGAERO FC(F)(F)Oc1ccccc1CC1CC[NH2+]CC1 ZINC000055230026 527675651 /nfs/dbraw/zinc/67/56/51/527675651.db2.gz WVTXCPJOQQAYPI-UHFFFAOYSA-N 1 0 259.271 3.127 10 0 CGAERO FC(F)(F)c1ccc2oc([C@H]3CCC[NH2+]C3)nc2c1 ZINC000062541355 527684255 /nfs/dbraw/zinc/68/42/55/527684255.db2.gz XNGGFYWHYZTJCU-QMMMGPOBSA-N 1 0 270.254 3.314 10 0 CGAERO CCCOc1ccc([C@H](C)[NH2+]C[C@@H]2[C@H]3COC[C@H]32)cc1 ZINC000367697266 528725004 /nfs/dbraw/zinc/72/50/04/528725004.db2.gz BHGHFXUECZNKCS-OSMBCOQSSA-N 1 0 275.392 3.018 10 0 CGAERO CCc1cccc(N2C[C@@H](CC)[NH2+]C[C@@H]2C(C)C)c1 ZINC000083441849 535892322 /nfs/dbraw/zinc/89/23/22/535892322.db2.gz SEPUDPXNUCNUBJ-NVXWUHKLSA-N 1 0 260.425 3.462 10 0 CGAERO CC[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247402948 536063725 /nfs/dbraw/zinc/06/37/25/536063725.db2.gz YSGAGJJHEIESCM-NVXWUHKLSA-N 1 0 284.407 3.141 10 0 CGAERO CC[C@H]1CN(c2ccc(F)cc2Cl)[C@H](C)C[NH2+]1 ZINC000083418311 536160990 /nfs/dbraw/zinc/16/09/90/536160990.db2.gz QFNBFTKHDQCIEV-KOLCDFICSA-N 1 0 256.752 3.056 10 0 CGAERO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1ccc(F)c(Cl)c1 ZINC000217626324 572395504 /nfs/dbraw/zinc/39/55/04/572395504.db2.gz SLBCPVKGAFOARB-ZMLRMANQSA-N 1 0 271.763 3.433 10 0 CGAERO CCN1CCC[C@H]([NH2+]C/C(C)=C\c2ccccc2)C1 ZINC000205015957 572423448 /nfs/dbraw/zinc/42/34/48/572423448.db2.gz IRQFJBBCIINUKY-KSVUCXBSSA-N 1 0 258.409 3.164 10 0 CGAERO CC[C@@H]([NH2+]C1CCC(O)(C(F)(F)F)CC1)C(C)C ZINC000396496783 572486277 /nfs/dbraw/zinc/48/62/77/572486277.db2.gz TZKPHRZZECMAGK-MOENNCHZSA-N 1 0 267.335 3.247 10 0 CGAERO CCC(C)(C)[C@@H]1CC=C([C@@](O)(C[NH3+])C(F)(F)F)CC1 ZINC000675052187 572549907 /nfs/dbraw/zinc/54/99/07/572549907.db2.gz AEPFIVFDMYWAHU-MFKMUULPSA-N 1 0 279.346 3.401 10 0 CGAERO Cc1nn(C)c2sc([C@@H]3C[C@@H](C)C[C@@H](C)[NH2+]3)cc12 ZINC000757215355 617846992 /nfs/dbraw/zinc/84/69/92/617846992.db2.gz NTLLGGBLDJIQHR-SBMIAAHKSA-N 1 0 263.410 3.392 10 0 CGAERO CCC1CCC(c2noc([C@H]3CC[NH2+][C@H]3C)n2)CC1 ZINC000092939691 618181002 /nfs/dbraw/zinc/18/10/02/618181002.db2.gz MLGCOSUVDWSZCO-WTIISPKJSA-N 1 0 263.385 3.219 10 0 CGAERO CC1(C)CC[C@@H]1[NH2+]C[C@H](O)c1ccccc1Cl ZINC000310219447 618782798 /nfs/dbraw/zinc/78/27/98/618782798.db2.gz WQUUAXUDZPPDPL-STQMWFEESA-N 1 0 253.773 3.152 10 0 CGAERO Cc1ccc(-c2nc(C[C@H]3CCC[NH2+]C3)no2)c(Cl)c1 ZINC000236005206 618835688 /nfs/dbraw/zinc/83/56/88/618835688.db2.gz GEQBKCOHZNTCDC-LLVKDONJSA-N 1 0 291.782 3.241 10 0 CGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)[C@H]1C ZINC000309781766 618956215 /nfs/dbraw/zinc/95/62/15/618956215.db2.gz LGEDWMTZNHWZAD-KHMAMNHCSA-N 1 0 296.455 3.314 10 0 CGAERO C[C@H](O)[C@H](C)[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000309990511 619060410 /nfs/dbraw/zinc/06/04/10/619060410.db2.gz ZZOXVKOSJHCJCC-CIUDSAMLSA-N 1 0 262.180 3.413 10 0 CGAERO C[C@@H](C[NH3+])c1noc(-c2cc(Cl)sc2Cl)n1 ZINC000225440090 619269291 /nfs/dbraw/zinc/26/92/91/619269291.db2.gz FJNJIZDAJCGARH-BYPYZUCNSA-N 1 0 278.164 3.167 10 0 CGAERO O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000250856873 619289800 /nfs/dbraw/zinc/28/98/00/619289800.db2.gz POAJNBZZXNBYJQ-DGXTUMSLSA-N 1 0 251.414 3.238 10 0 CGAERO C[C@H](C[NH3+])c1noc(-c2cccc(Cl)c2Cl)n1 ZINC000054158652 619443806 /nfs/dbraw/zinc/44/38/06/619443806.db2.gz KIVQSPSFPJCWAS-ZCFIWIBFSA-N 1 0 272.135 3.106 10 0 CGAERO C[C@H](C[NH3+])c1noc(-c2ccc(C(C)(C)C)cc2)n1 ZINC000054158734 619444573 /nfs/dbraw/zinc/44/45/73/619444573.db2.gz ULTVWTALVJHTQS-SNVBAGLBSA-N 1 0 259.353 3.096 10 0 CGAERO CC[C@H]([NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1C[C@H]1C ZINC000322160186 620390596 /nfs/dbraw/zinc/39/05/96/620390596.db2.gz JVALCWHIBKOBDR-BARDWOONSA-N 1 0 296.455 3.268 10 0 CGAERO CCON1CCC([NH2+][C@@H](C)c2cccc(Cl)c2)CC1 ZINC000323062646 620530207 /nfs/dbraw/zinc/53/02/07/620530207.db2.gz MDTAYIOPIVWDTN-LBPRGKRZSA-N 1 0 282.815 3.407 10 0 CGAERO C[C@@H]1CCC[C@](C[NH2+]CCc2ccccc2)(N(C)C)C1 ZINC000040668133 620542910 /nfs/dbraw/zinc/54/29/10/620542910.db2.gz GFWMGZBTTQNOMF-AEFFLSMTSA-N 1 0 274.452 3.329 10 0 CGAERO CC(C)C[N@H+](C)C[C@H](O)c1ccc2ccccc2c1 ZINC000044129609 622534410 /nfs/dbraw/zinc/53/44/10/622534410.db2.gz XMXUXUMYTNZEAE-KRWDZBQOSA-N 1 0 257.377 3.461 10 0 CGAERO C(c1noc(CC2CCCCCC2)n1)[C@H]1CCC[NH2+]C1 ZINC000167778863 622960212 /nfs/dbraw/zinc/96/02/12/622960212.db2.gz UAGFQAIBOYGPJF-CQSZACIVSA-N 1 0 277.412 3.125 10 0 CGAERO Cc1cc(N[C@@H](C)c2ccc(Cl)s2)nc(N)[nH+]1 ZINC000046484819 622976152 /nfs/dbraw/zinc/97/61/52/622976152.db2.gz OSBJSODFHOXOMB-ZETCQYMHSA-N 1 0 268.773 3.255 10 0 CGAERO Cc1sc(C[NH2+][C@@H]2CCO[C@H]2C)cc1Br ZINC000227848968 623033510 /nfs/dbraw/zinc/03/35/10/623033510.db2.gz PPEAERWEAWRELE-WRWORJQWSA-N 1 0 290.226 3.086 10 0 CGAERO C[C@H](C[NH2+]CC1CCC(C)CC1)NC(=O)OC(C)(C)C ZINC000227677144 623026257 /nfs/dbraw/zinc/02/62/57/623026257.db2.gz JJEINFROAWATPQ-ROKHWSDSSA-N 1 0 284.444 3.316 10 0 CGAERO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC000230167749 623213646 /nfs/dbraw/zinc/21/36/46/623213646.db2.gz YIPLIERKCLKCFZ-OAHLLOKOSA-N 1 0 296.455 3.413 10 0 CGAERO CCCCOc1ccc(C[NH2+]C2CC(OC)C2)cc1 ZINC000230691073 623267057 /nfs/dbraw/zinc/26/70/57/623267057.db2.gz UTKZVWUBEBSQGP-UHFFFAOYSA-N 1 0 263.381 3.133 10 0 CGAERO [NH3+]C[C@@H]1CCCC[C@H]1C(=O)Nc1cccc(Cl)c1 ZINC000089386404 623738120 /nfs/dbraw/zinc/73/81/20/623738120.db2.gz TUSCHAZBPGTPJI-GXFFZTMASA-N 1 0 266.772 3.044 10 0 CGAERO c1ccc2c(C[NH2+]C[C@H]3CSCCS3)ccnc2c1 ZINC000125206385 634653018 /nfs/dbraw/zinc/65/30/18/634653018.db2.gz VOKVQLWJBIITCQ-ZDUSSCGKSA-N 1 0 290.457 3.173 10 0 CGAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@@]12CCCC(C)(C)C2 ZINC000757187327 630588703 /nfs/dbraw/zinc/58/87/03/630588703.db2.gz ZFDSTDCTKCWKCT-WBMJQRKESA-N 1 0 267.413 3.134 10 0 CGAERO C[C@H](c1nc(CC(C)(C)C)no1)[C@H]([NH3+])c1ccccc1 ZINC000129612935 636320820 /nfs/dbraw/zinc/32/08/20/636320820.db2.gz IIJGJYORQVEHAG-FZMZJTMJSA-N 1 0 273.380 3.462 10 0 CGAERO C[C@H]([NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)C1CCC1 ZINC000132045619 636777937 /nfs/dbraw/zinc/77/79/37/636777937.db2.gz CIZBGORKEOJZHP-CFVMTHIKSA-N 1 0 296.455 3.458 10 0 CGAERO C[C@H]([NH2+]CC[S@@](C)=O)c1ccc(C(C)(C)C)cc1 ZINC000135466085 637133717 /nfs/dbraw/zinc/13/37/17/637133717.db2.gz XTIQESLNAGQCQG-SGTLLEGYSA-N 1 0 267.438 3.013 10 0 CGAERO CC(C)[C@@H]([NH3+])Cc1nc(C2(c3ccccc3)CCC2)no1 ZINC000109514120 637141364 /nfs/dbraw/zinc/14/13/64/637141364.db2.gz UGQALKHRHXSUFS-AWEZNQCLSA-N 1 0 285.391 3.065 10 0 CGAERO CC(C)C[C@@H]1C[C@H](CC[NH3+])CCN1C(=O)OC(C)(C)C ZINC000218989275 637488014 /nfs/dbraw/zinc/48/80/14/637488014.db2.gz LELRJFVQLCOEND-ZIAGYGMSSA-N 1 0 284.444 3.397 10 0 CGAERO CC[C@@H]([NH2+][C@H]1CCCN(CC)C1)c1ccc2c(c1)CCO2 ZINC000040502940 639894386 /nfs/dbraw/zinc/89/43/86/639894386.db2.gz DNNQXQHWZHWFFZ-DLBZAZTESA-N 1 0 288.435 3.147 10 0 CGAERO C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000079517064 640408520 /nfs/dbraw/zinc/40/85/20/640408520.db2.gz FDOOKWSTUZBDSG-NHYWBVRUSA-N 1 0 280.799 3.002 10 0 CGAERO C[C@H](CC1CC1)[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000089150717 640631527 /nfs/dbraw/zinc/63/15/27/640631527.db2.gz RVXGIYJJIVJFME-YUELXQCFSA-N 1 0 296.455 3.458 10 0 CGAERO [NH3+]C[C@H]1CCCC[C@@H]1c1nc(Cc2ccccc2F)no1 ZINC000089383514 640643443 /nfs/dbraw/zinc/64/34/43/640643443.db2.gz YKFIXRSAKSQTIM-OLZOCXBDSA-N 1 0 289.354 3.032 10 0 CGAERO [NH3+]C[C@H]1CCCC[C@@H]1c1nc(C2CCCCC2)no1 ZINC000089383414 640643570 /nfs/dbraw/zinc/64/35/70/640643570.db2.gz GVUVXHIPYVLZCZ-OLZOCXBDSA-N 1 0 263.385 3.350 10 0 CGAERO [NH3+]C[C@H]1CCCC[C@@H]1c1nc(-c2ccccc2F)no1 ZINC000089383590 640643648 /nfs/dbraw/zinc/64/36/48/640643648.db2.gz NTCBHKIPAMRWMW-MNOVXSKESA-N 1 0 275.327 3.108 10 0 CGAERO CN(Cc1ccccc1Cl)C(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089390817 640644464 /nfs/dbraw/zinc/64/44/64/640644464.db2.gz IBFDLOQZOFWDFM-TZMCWYRMSA-N 1 0 294.826 3.064 10 0 CGAERO CC(C)Oc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000089387363 640644800 /nfs/dbraw/zinc/64/48/00/640644800.db2.gz PNDBWGYICGAOKA-CJNGLKHVSA-N 1 0 290.407 3.177 10 0 CGAERO [NH3+]C[C@@H]1CCCC[C@@H]1c1nc([C@H]2CCCCS2)no1 ZINC000251465518 640826528 /nfs/dbraw/zinc/82/65/28/640826528.db2.gz VGLTXVWHSJMBSJ-SDDRHHMPSA-N 1 0 281.425 3.260 10 0 CGAERO Oc1cccc2c1CC[C@H]2[NH2+]Cc1cncc(Cl)c1 ZINC000621298620 349491865 /nfs/dbraw/zinc/49/18/65/349491865.db2.gz CXFQRUSYSKCHIZ-CQSZACIVSA-N 1 0 274.751 3.218 10 0 CGAERO CC[NH2+]Cc1sc(-c2ccc(C)cc2)nc1COC ZINC000082445330 178021795 /nfs/dbraw/zinc/02/17/95/178021795.db2.gz NPUKUEHKOCCBDU-UHFFFAOYSA-N 1 0 276.405 3.374 10 0 CGAERO CCCc1nc(CCc2ccccc2)sc1C[NH3+] ZINC000082429244 178006281 /nfs/dbraw/zinc/00/62/81/178006281.db2.gz OCURUFMKGCPORF-UHFFFAOYSA-N 1 0 260.406 3.340 10 0 CGAERO C[NH2+]Cc1sc(-c2ccccc2OC)nc1C1CC1 ZINC000082436624 178013807 /nfs/dbraw/zinc/01/38/07/178013807.db2.gz LSDYSVBNFASWDN-UHFFFAOYSA-N 1 0 274.389 3.416 10 0 CGAERO COCc1nc(-c2ccccc2)sc1C[NH2+]C1CC1 ZINC000082441416 178021295 /nfs/dbraw/zinc/02/12/95/178021295.db2.gz NLLWKSVSUOGRSM-UHFFFAOYSA-N 1 0 274.389 3.209 10 0 CGAERO CCCSCc1nc(COC)c(C[NH2+]CC)s1 ZINC000082445872 178022959 /nfs/dbraw/zinc/02/29/59/178022959.db2.gz HIZVMCIKEJNTCP-UHFFFAOYSA-N 1 0 274.455 3.042 10 0 CGAERO CC[NH2+]Cc1sc(-c2cccc(OC)c2)nc1COC ZINC000082446381 178023704 /nfs/dbraw/zinc/02/37/04/178023704.db2.gz BIWPNZAPEGLIAE-UHFFFAOYSA-N 1 0 292.404 3.075 10 0 CGAERO CC[NH2+][C@@H]1CC2(CCCC2)Oc2cc(OC)ccc21 ZINC000082508825 178074269 /nfs/dbraw/zinc/07/42/69/178074269.db2.gz VWGGOJYDBMIPHH-CQSZACIVSA-N 1 0 261.365 3.441 10 0 CGAERO C[NH+](C)CCC(=O)C1c2ccccc2Cc2ccccc21 ZINC000095931891 185032910 /nfs/dbraw/zinc/03/29/10/185032910.db2.gz JCBDHDZTYUWCCO-UHFFFAOYSA-N 1 0 279.383 3.244 10 0 CGAERO CC(C)(C[NH3+])c1c[nH]c2c1cccc2Br ZINC000082623233 178138265 /nfs/dbraw/zinc/13/82/65/178138265.db2.gz BCPOSCVVGGNFRA-UHFFFAOYSA-N 1 0 267.170 3.167 10 0 CGAERO CC[NH2+]Cc1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000082661968 178150082 /nfs/dbraw/zinc/15/00/82/178150082.db2.gz GTGOOCFSFPMUAF-UHFFFAOYSA-N 1 0 287.260 3.140 10 0 CGAERO Cc1ccc(NC(=O)[C@H]([NH3+])c2ccc(Cl)cc2)cc1 ZINC000096032546 185068345 /nfs/dbraw/zinc/06/83/45/185068345.db2.gz QHXHVKDPJGLKDE-CQSZACIVSA-N 1 0 274.751 3.287 10 0 CGAERO [NH3+]C[C@@H]1c2cccc(Cl)c2CN1Cc1ccccc1 ZINC000082701458 178206655 /nfs/dbraw/zinc/20/66/55/178206655.db2.gz SFBPEFJCGUHDPM-MRXNPFEDSA-N 1 0 272.779 3.356 10 0 CGAERO Cc1ccc2ccccc2c1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000082726493 178242250 /nfs/dbraw/zinc/24/22/50/178242250.db2.gz SWKHVHNSGSWWPU-CQSZACIVSA-N 1 0 253.345 3.331 10 0 CGAERO COc1cc(SC(C)C)c(OC)c2c1CC[NH2+][C@@H]2C ZINC000096889004 185123008 /nfs/dbraw/zinc/12/30/08/185123008.db2.gz KGFPAUADFGLPDV-SNVBAGLBSA-N 1 0 281.421 3.411 10 0 CGAERO c1ccc(CN2CCCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000096950571 185138263 /nfs/dbraw/zinc/13/82/63/185138263.db2.gz IMOYSNJGCKQZCQ-DLBZAZTESA-N 1 0 258.409 3.183 10 0 CGAERO C[NH+](C)C[C@H](NCc1ccncc1Cl)c1ccccc1 ZINC000623343710 349784033 /nfs/dbraw/zinc/78/40/33/349784033.db2.gz FCJUISGGEFQRIU-INIZCTEOSA-N 1 0 289.810 3.128 10 0 CGAERO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000294986550 199286476 /nfs/dbraw/zinc/28/64/76/199286476.db2.gz KFXGJBJIBIFACZ-GWCFXTLKSA-N 1 0 273.298 3.051 10 0 CGAERO CC(C)(C)[C@H](O)C[NH2+]Cc1ccsc1C(F)(F)F ZINC000623417156 349803437 /nfs/dbraw/zinc/80/34/37/349803437.db2.gz UVMWVKDTBJWYCT-SECBINFHSA-N 1 0 281.343 3.264 10 0 CGAERO CC[C@H]1CN(Cc2ccc(Cl)c(F)c2)[C@H](C)C[NH2+]1 ZINC000083518033 178552288 /nfs/dbraw/zinc/55/22/88/178552288.db2.gz QFHZFIGMIRNVIR-PWSUYJOCSA-N 1 0 270.779 3.051 10 0 CGAERO CC(C)OC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295065619 199326034 /nfs/dbraw/zinc/32/60/34/199326034.db2.gz CDXUGVXTZABBNT-GDBMZVCRSA-N 1 0 290.407 3.032 10 0 CGAERO CN1CCC([NH2+][C@H]2c3ccccc3CCC2(C)C)CC1 ZINC000132631929 530050522 /nfs/dbraw/zinc/05/05/22/530050522.db2.gz QPUXMCYZEIGSFR-KRWDZBQOSA-N 1 0 272.436 3.384 10 0 CGAERO CCO[C@@H](c1ccc(C(C)C)cc1)C1=[NH+]CCCN1 ZINC000005860845 344863024 /nfs/dbraw/zinc/86/30/24/344863024.db2.gz YQEXPFNRQAWUCH-HNNXBMFYSA-N 1 0 260.381 3.279 10 0 CGAERO c1coc(Cc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000013805452 344880555 /nfs/dbraw/zinc/88/05/55/344880555.db2.gz VKRQDYBJLOEKGC-UHFFFAOYSA-N 1 0 271.360 3.345 10 0 CGAERO [NH3+][C@H](c1ccc(Cl)cc1)[C@H]1Cc2ccccc2[C@@H]1O ZINC000031596450 344927441 /nfs/dbraw/zinc/92/74/41/344927441.db2.gz WCKAGTONKQFNQE-OAGGEKHMSA-N 1 0 273.763 3.246 10 0 CGAERO O=C1CCC[C@@H]([N@H+]2CC=C(c3ccccc3)CC2)C1 ZINC000034084794 344937564 /nfs/dbraw/zinc/93/75/64/344937564.db2.gz ASEMFRIEBUPRNR-MRXNPFEDSA-N 1 0 255.361 3.287 10 0 CGAERO C[C@@H]([NH3+])[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000037947367 344954197 /nfs/dbraw/zinc/95/41/97/344954197.db2.gz NPDPYRUYEFEERZ-HTQZYQBOSA-N 1 0 260.150 3.114 10 0 CGAERO [NH3+]Cc1ccc(-c2nc(Cc3cccc(Cl)c3)no2)cc1 ZINC000036925416 344945861 /nfs/dbraw/zinc/94/58/61/344945861.db2.gz YGBFRYKDPWXOKX-UHFFFAOYSA-N 1 0 299.761 3.440 10 0 CGAERO CC(C)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000042291325 344981770 /nfs/dbraw/zinc/98/17/70/344981770.db2.gz FUPDCEYJNAJCHT-CHWSQXEVSA-N 1 0 285.391 3.196 10 0 CGAERO C[NH2+][C@H](c1ccc(Br)o1)C1=CCCC1 ZINC000050327232 345080290 /nfs/dbraw/zinc/08/02/90/345080290.db2.gz TUUVFINRUUGJTN-NSHDSACASA-N 1 0 256.143 3.413 10 0 CGAERO CC(C)(C)[C@@H]([NH3+])Cc1sccc1Br ZINC000053819309 345125816 /nfs/dbraw/zinc/12/58/16/345125816.db2.gz IVKFJRVIKHTNIH-VIFPVBQESA-N 1 0 262.216 3.427 10 0 CGAERO CCC[C@@H](NC(=O)C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000054307174 345132332 /nfs/dbraw/zinc/13/23/32/345132332.db2.gz LBDCTGAFDFEMPO-GOEBONIOSA-N 1 0 274.408 3.034 10 0 CGAERO CCN(Cc1cccc(Cl)c1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054307903 345132583 /nfs/dbraw/zinc/13/25/83/345132583.db2.gz MRQAMLQMTAJQIF-ZDUSSCGKSA-N 1 0 294.826 3.078 10 0 CGAERO [NH3+][C@H](Cc1ccccc1)[C@@H](O)c1ccc2ccccc2c1 ZINC000054686112 345137933 /nfs/dbraw/zinc/13/79/33/345137933.db2.gz VEJQVIHLWWZFCT-MOPGFXCFSA-N 1 0 277.367 3.443 10 0 CGAERO CC[NH2+][C@H]1COc2c1c(Br)ccc2Cl ZINC000069717529 345384390 /nfs/dbraw/zinc/38/43/90/345384390.db2.gz JEONREXWQASTBC-QMMMGPOBSA-N 1 0 276.561 3.146 10 0 CGAERO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)c1cnccn1 ZINC000070478789 345391430 /nfs/dbraw/zinc/39/14/30/345391430.db2.gz PQKNTRQSHRMBLE-OUAUKWLOSA-N 1 0 273.302 3.248 10 0 CGAERO CC(C)C(=[NH2+])NCc1ccc(Br)s1 ZINC000070600952 345392916 /nfs/dbraw/zinc/39/29/16/345392916.db2.gz FSXIJRPLEJWPDG-UHFFFAOYSA-N 1 0 261.188 3.233 10 0 CGAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(Br)c1 ZINC000152351056 232209476 /nfs/dbraw/zinc/20/94/76/232209476.db2.gz MABDNMXVBQEWSK-GXTWGEPZSA-N 1 0 298.224 3.090 10 0 CGAERO C[C@@H]([NH2+]Cc1ccc(CO)o1)C12CC3CC(CC(C3)C1)C2 ZINC000081546756 345712157 /nfs/dbraw/zinc/71/21/57/345712157.db2.gz GNHWLMYWMDCNAP-QLFDAEIZSA-N 1 0 289.419 3.466 10 0 CGAERO CCn1cncc1C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000090171455 345784725 /nfs/dbraw/zinc/78/47/25/345784725.db2.gz NQGCKARQJWGHGT-NWDGAFQWSA-N 1 0 275.318 3.114 10 0 CGAERO CCn1nc(C)c([C@H](C)[NH2+]C2C[C@@H](C)O[C@H](C)C2)c1C ZINC000090965398 345799106 /nfs/dbraw/zinc/79/91/06/345799106.db2.gz NTTMLQAQVTXFGI-UTUOFQBUSA-N 1 0 279.428 3.126 10 0 CGAERO CC(C)C[C@H](NCC(C)(C)C)C(=O)OC(C)(C)C ZINC000113039751 345959469 /nfs/dbraw/zinc/95/94/69/345959469.db2.gz OHGCYVXAEGILFZ-LBPRGKRZSA-N 1 0 257.418 3.379 10 0 CGAERO [NH3+][C@@H]1CC[C@H](C(c2ccccc2)c2ccccc2)OC1 ZINC000113374860 345961081 /nfs/dbraw/zinc/96/10/81/345961081.db2.gz JVWJBEYBJRKSDY-IAGOWNOFSA-N 1 0 267.372 3.325 10 0 CGAERO Nc1ccc([C@@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000116483515 345978527 /nfs/dbraw/zinc/97/85/27/345978527.db2.gz ADXHRNAHDRSWJA-CQSZACIVSA-N 1 0 270.351 3.397 10 0 CGAERO Fc1ccccc1[C@H]1CC[NH2+]CCN1c1ccccc1 ZINC000117607786 345985083 /nfs/dbraw/zinc/98/50/83/345985083.db2.gz SFIPDYFLQAEDBA-QGZVFWFLSA-N 1 0 270.351 3.367 10 0 CGAERO COc1ccccc1[C@@H]1OCC[NH2+]C[C@@H]1c1ccccc1 ZINC000117609676 345985192 /nfs/dbraw/zinc/98/51/92/345985192.db2.gz LRVWLBVZHIIYQJ-AEFFLSMTSA-N 1 0 283.371 3.140 10 0 CGAERO CC[NH2+][C@H]1CCCc2sc(Br)cc21 ZINC000132226606 346070774 /nfs/dbraw/zinc/07/07/74/346070774.db2.gz GIQPMLJFZJQMMN-QMMMGPOBSA-N 1 0 260.200 3.498 10 0 CGAERO Cc1cc(C[NH2+][C@@H]2CCCCC[C@H]2O)c(C)s1 ZINC000135670755 346088686 /nfs/dbraw/zinc/08/86/86/346088686.db2.gz DWVDWTASPLDHEI-ZIAGYGMSSA-N 1 0 253.411 3.148 10 0 CGAERO C[NH2+]C[C@H]1Cc2cccc(-c3ccc(C)cc3)c2O1 ZINC000137446174 346094166 /nfs/dbraw/zinc/09/41/66/346094166.db2.gz RWASTUWOLFPDLN-OAHLLOKOSA-N 1 0 253.345 3.185 10 0 CGAERO CCC(=O)CC[N@@H+]1CCC2=Cc3ccccc3[C@@H]2C1 ZINC000142063822 346109947 /nfs/dbraw/zinc/10/99/47/346109947.db2.gz 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CC(C)[NH2+]Cc1cccc(CCO)c1-c1ccccc1 ZINC000584641290 346702765 /nfs/dbraw/zinc/70/27/65/346702765.db2.gz FCJAESWVAIHHPP-UHFFFAOYSA-N 1 0 269.388 3.386 10 0 CGAERO Cc1ccc(CN2Cc3ccccc3NC2=[NH2+])cc1 ZINC000584656622 346705945 /nfs/dbraw/zinc/70/59/45/346705945.db2.gz QUTYMEOWRCPSGL-UHFFFAOYSA-N 1 0 251.333 3.357 10 0 CGAERO COCCCOc1cc(C[C@H]([NH3+])C2(C)CC2)ccc1Cl ZINC000584594992 346687088 /nfs/dbraw/zinc/68/70/88/346687088.db2.gz MKEZHUDLUMOFQC-HNNXBMFYSA-N 1 0 297.826 3.425 10 0 CGAERO COc1ccc([C@H](O)[C@H]2CCCC[C@H]2[NH+]2CCCC2)cc1 ZINC000584596109 346687584 /nfs/dbraw/zinc/68/75/84/346687584.db2.gz NVVVIDYRUUTGEA-KSZLIROESA-N 1 0 289.419 3.383 10 0 CGAERO CC[NH+](CC)CCNNc1ccnc2cc(Cl)ccc21 ZINC000584602033 346689843 /nfs/dbraw/zinc/68/98/43/346689843.db2.gz XMACSNNZYHWPHC-UHFFFAOYSA-N 1 0 292.814 3.147 10 0 CGAERO O[C@@H](c1ccc(F)cc1)[C@H]1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000584625294 346697443 /nfs/dbraw/zinc/69/74/43/346697443.db2.gz JVBGIQKPXVCVSA-IMJJTQAJSA-N 1 0 263.356 3.124 10 0 CGAERO Clc1cccc(Nc2ccc([C@@H]3C[NH2+]CCO3)nc2)c1 ZINC000584633361 346699540 /nfs/dbraw/zinc/69/95/40/346699540.db2.gz GQTNAUZISSDQED-HNNXBMFYSA-N 1 0 289.766 3.140 10 0 CGAERO Fc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]1Cn1ccnc1 ZINC000188419964 542249445 /nfs/dbraw/zinc/24/94/45/542249445.db2.gz KWALOMNKAQGXRO-AWEZNQCLSA-N 1 0 293.773 3.340 10 0 CGAERO CCC[NH2+][C@@H](Cc1nc(C(C)(C)C)no1)C(C)(C)C ZINC000104057432 185888322 /nfs/dbraw/zinc/88/83/22/185888322.db2.gz SUPOEAPZPNNFJE-NSHDSACASA-N 1 0 267.417 3.324 10 0 CGAERO C[NH2+][C@H]1CCC[C@@H]1c1nc(C2CCC(C)CC2)no1 ZINC000104067282 185891043 /nfs/dbraw/zinc/89/10/43/185891043.db2.gz JVPNGFZGDPURKK-TYUFSLCMSA-N 1 0 263.385 3.219 10 0 CGAERO C[C@@H](COCc1ccccc1)[NH2+]Cc1[nH]nc2ccccc21 ZINC000608067131 348282333 /nfs/dbraw/zinc/28/23/33/348282333.db2.gz YABCPTAZDWUZEC-AWEZNQCLSA-N 1 0 295.386 3.258 10 0 CGAERO CNc1ccc([C@H]2CC[N@@H+](C(C)(C)C)CCO2)cc1 ZINC000616593873 348838655 /nfs/dbraw/zinc/83/86/55/348838655.db2.gz BLLJLJAMRHTNBK-OAHLLOKOSA-N 1 0 262.397 3.290 10 0 CGAERO CNc1ccccc1[C@H]1CC[N@@H+](C(C)(C)C)CCO1 ZINC000616594096 348839390 /nfs/dbraw/zinc/83/93/90/348839390.db2.gz CEEYUNDPABCSHV-OAHLLOKOSA-N 1 0 262.397 3.290 10 0 CGAERO CC(C)[N@@H+]1CCOC[C@@H](c2cccc3cnccc32)C1 ZINC000616598897 348841108 /nfs/dbraw/zinc/84/11/08/348841108.db2.gz UUDDTIUWVDFIHU-HNNXBMFYSA-N 1 0 270.376 3.059 10 0 CGAERO c1nocc1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000616609527 348844573 /nfs/dbraw/zinc/84/45/73/348844573.db2.gz AREVEIJJALHKTE-OAHLLOKOSA-N 1 0 256.349 3.444 10 0 CGAERO CC[N@@H+]1CCC[C@@H](c2cccc3nnccc32)CC1 ZINC000616610465 348844694 /nfs/dbraw/zinc/84/46/94/348844694.db2.gz KAPLUGYVDKAKKH-CYBMUJFWSA-N 1 0 255.365 3.219 10 0 CGAERO OCC[N@@H+]1CCCCC[C@H]1c1ccc2ncccc2c1 ZINC000616624996 348849935 /nfs/dbraw/zinc/84/99/35/348849935.db2.gz JNIULDHAOFQVNX-KRWDZBQOSA-N 1 0 270.376 3.144 10 0 CGAERO [NH3+]CCN1CCCCC[C@@H]1c1cncc2ccccc21 ZINC000616623907 348849975 /nfs/dbraw/zinc/84/99/75/348849975.db2.gz LYPOBQQPPNRZTD-QGZVFWFLSA-N 1 0 269.392 3.111 10 0 CGAERO OCC[N@@H+]1CCCCC[C@H]1c1ccnc2ccccc21 ZINC000616629775 348852518 /nfs/dbraw/zinc/85/25/18/348852518.db2.gz MDBBSFHICHYKRQ-KRWDZBQOSA-N 1 0 270.376 3.144 10 0 CGAERO COc1ccc([C@H]2COCCC[N@@H+]2C(C)(C)C)cc1 ZINC000616644773 348854293 /nfs/dbraw/zinc/85/42/93/348854293.db2.gz DTHULOMOQGBPPQ-OAHLLOKOSA-N 1 0 263.381 3.257 10 0 CGAERO CC(C)[N@@H+]1CCOC[C@H]1c1cccc2ncccc21 ZINC000616641601 348854588 /nfs/dbraw/zinc/85/45/88/348854588.db2.gz KMANHXDOBDNWOM-INIZCTEOSA-N 1 0 256.349 3.017 10 0 CGAERO CC(C)[N@@H+]1CCO[C@H](c2cccc3ncccc32)C1 ZINC000616645298 348854788 /nfs/dbraw/zinc/85/47/88/348854788.db2.gz BINSXRUJKSKJQS-INIZCTEOSA-N 1 0 256.349 3.017 10 0 CGAERO CC(C)[N@@H+]1CCCOC[C@H]1c1cccc2ncccc21 ZINC000616645225 348854832 /nfs/dbraw/zinc/85/48/32/348854832.db2.gz MKNLFIOPVRKKPF-KRWDZBQOSA-N 1 0 270.376 3.407 10 0 CGAERO CC(C)(C)[N@@H+]1CCO[C@H](c2cncc3ccccc32)C1 ZINC000616649442 348855274 /nfs/dbraw/zinc/85/52/74/348855274.db2.gz UDUIXHURTPLAMF-INIZCTEOSA-N 1 0 270.376 3.407 10 0 CGAERO CC[N@@H+]1CCCO[C@H](c2ccc3ccncc3c2)C1 ZINC000616649439 348855365 /nfs/dbraw/zinc/85/53/65/348855365.db2.gz JRSYSBRLTLILRA-INIZCTEOSA-N 1 0 256.349 3.018 10 0 CGAERO Nc1cccc([C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000616651394 348856580 /nfs/dbraw/zinc/85/65/80/348856580.db2.gz NJJAMEXFHMUSMM-GOSISDBHSA-N 1 0 282.387 3.232 10 0 CGAERO c1ccc(C[N@@H+]2CCCO[C@H](c3ccccn3)C2)cc1 ZINC000616653461 348856878 /nfs/dbraw/zinc/85/68/78/348856878.db2.gz WRJJTCBYAVIVHS-KRWDZBQOSA-N 1 0 268.360 3.045 10 0 CGAERO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+](C(C)(C)C)C1 ZINC000616654058 348857859 /nfs/dbraw/zinc/85/78/59/348857859.db2.gz LBHIYPJAKWWFFE-ZDUSSCGKSA-N 1 0 284.444 3.412 10 0 CGAERO CNc1cccc([C@H]2C[N@@H+](C(C)(C)C)CCCO2)c1 ZINC000616653918 348857990 /nfs/dbraw/zinc/85/79/90/348857990.db2.gz ZCUHWFPMCJVECL-OAHLLOKOSA-N 1 0 262.397 3.290 10 0 CGAERO CC(C)[N@@H+]1CCCC[C@@H](c2cccc(CCO)c2)C1 ZINC000616653987 348858113 /nfs/dbraw/zinc/85/81/13/348858113.db2.gz IDYZFWSCYQDLQF-QGZVFWFLSA-N 1 0 261.409 3.199 10 0 CGAERO c1ccc(C[N@@H+]2CCOCC[C@@H]2c2cccnc2)cc1 ZINC000616660213 348858885 /nfs/dbraw/zinc/85/88/85/348858885.db2.gz UFFOCDNOQLHSLE-QGZVFWFLSA-N 1 0 268.360 3.045 10 0 CGAERO CC(C)[N@@H+]1CCOC[C@H](c2ccccc2Cl)C1 ZINC000616660462 348858977 /nfs/dbraw/zinc/85/89/77/348858977.db2.gz NDXSFQMNXMRJNE-GFCCVEGCSA-N 1 0 253.773 3.164 10 0 CGAERO COc1cccc([C@H]2COCC[N@H+](Cc3ccccc3)C2)c1 ZINC000616663560 348859719 /nfs/dbraw/zinc/85/97/19/348859719.db2.gz REOOIFXGPGICGO-GOSISDBHSA-N 1 0 297.398 3.311 10 0 CGAERO c1ccc2c(c1)CC[NH2+][C@@H]2c1ccc2ccncc2c1 ZINC000616681138 348865716 /nfs/dbraw/zinc/86/57/16/348865716.db2.gz VJURVFFUVGDJTI-GOSISDBHSA-N 1 0 260.340 3.470 10 0 CGAERO CC[C@H]([NH3+])Cc1cc(F)ccc1N(C)CC1CCC1 ZINC000104282243 185954469 /nfs/dbraw/zinc/95/44/69/185954469.db2.gz KCVUCTRJMXZRLW-HNNXBMFYSA-N 1 0 264.388 3.342 10 0 CGAERO CC[NH2+]Cc1ccccc1NC(=O)c1ccc(C)c(F)c1 ZINC000036281485 137874183 /nfs/dbraw/zinc/87/41/83/137874183.db2.gz IAQXLVRRGUKXTD-UHFFFAOYSA-N 1 0 286.350 3.496 10 0 CGAERO C[C@H]([NH3+])[C@H](Oc1ccc(F)c(Cl)c1)c1ccncc1 ZINC000104420561 185996404 /nfs/dbraw/zinc/99/64/04/185996404.db2.gz VOXHLVMCNPMLKW-XPTSAGLGSA-N 1 0 280.730 3.341 10 0 CGAERO COCCCS[C@H](c1ccccc1Cl)[C@H](C)[NH3+] ZINC000104448042 186006120 /nfs/dbraw/zinc/00/61/20/186006120.db2.gz VAMJYYCGABYPEA-GWCFXTLKSA-N 1 0 273.829 3.498 10 0 CGAERO Cc1cccc([C@H]2C[C@H]([NH3+])CN(C(=O)OC(C)(C)C)C2)c1 ZINC000108199440 186208161 /nfs/dbraw/zinc/20/81/61/186208161.db2.gz ZTGLTEHQNPAFAJ-GJZGRUSLSA-N 1 0 290.407 3.047 10 0 CGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccncc1Br ZINC000631080911 350946589 /nfs/dbraw/zinc/94/65/89/350946589.db2.gz BXGINXQDCITSBT-BXKDBHETSA-N 1 0 269.186 3.122 10 0 CGAERO CCC[C@H](C(=O)Nc1cccc(-c2ncco2)c1)[NH+](C)C ZINC000122346296 187028259 /nfs/dbraw/zinc/02/82/59/187028259.db2.gz WEBRRSGOGGQALM-CQSZACIVSA-N 1 0 287.363 3.010 10 0 CGAERO Cc1cnn(CC[NH2+][C@H](C)c2ccc(C)cc2C)c1 ZINC000123872241 187112721 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C[C@@H](O)C[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000035791537 369005264 /nfs/dbraw/zinc/00/52/64/369005264.db2.gz VOAFOZVOALKBOJ-RQJHMYQMSA-N 1 0 266.143 3.164 10 0 CGAERO Cc1ccc(C2CC([NH2+][C@@H](C)[C@@H]3CCCO3)C2)cc1 ZINC000036845028 369032859 /nfs/dbraw/zinc/03/28/59/369032859.db2.gz CLMCLKRPJZVYGI-LYAPFXNSSA-N 1 0 259.393 3.398 10 0 CGAERO Cc1cccc(C2CC([NH2+][C@H](C)[C@@H]3CCCO3)C2)c1 ZINC000036845110 369033579 /nfs/dbraw/zinc/03/35/79/369033579.db2.gz WMXPZMCXXHERAB-MFNRNEDNSA-N 1 0 259.393 3.398 10 0 CGAERO CC(C)C[C@@H](CN(C)C)[NH2+]Cc1cccc2cccnc21 ZINC000037166568 369074584 /nfs/dbraw/zinc/07/45/84/369074584.db2.gz RCWALNLIKCGYAZ-KRWDZBQOSA-N 1 0 285.435 3.301 10 0 CGAERO COC(=O)CCC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000037416856 369085157 /nfs/dbraw/zinc/08/51/57/369085157.db2.gz LLOUOWZCGPYBMA-ZDUSSCGKSA-N 1 0 263.381 3.414 10 0 CGAERO C[C@@H]([NH2+]Cc1cn[nH]c1)c1ccc(F)c(Cl)c1 ZINC000038006078 369137935 /nfs/dbraw/zinc/13/79/35/369137935.db2.gz REIZFPYYKNGWFK-MRVPVSSYSA-N 1 0 253.708 3.053 10 0 CGAERO [NH3+][C@@H]1CCC[C@@H]1Cc1ccccc1Br ZINC000042398127 369219381 /nfs/dbraw/zinc/21/93/81/369219381.db2.gz JUTWGUVAHUPMHX-ZYHUDNBSSA-N 1 0 254.171 3.119 10 0 CGAERO CCn1nc(C)c([C@H](C)[NH2+]CCc2ccccc2)c1C ZINC000045167451 369275866 /nfs/dbraw/zinc/27/58/66/369275866.db2.gz MSBDKISNCAZNAL-ZDUSSCGKSA-N 1 0 271.408 3.413 10 0 CGAERO CCc1ccc(CN[C@@H](C[NH+](C)C)c2ccccc2)o1 ZINC000051721697 369453549 /nfs/dbraw/zinc/45/35/49/369453549.db2.gz CGCAYXCJZFSMDT-KRWDZBQOSA-N 1 0 272.392 3.235 10 0 CGAERO C[NH+](C)C[C@H](NC(=O)CCC1CCCC1)c1ccccc1 ZINC000052554876 369469301 /nfs/dbraw/zinc/46/93/01/369469301.db2.gz FDDRVKYVDDQNKQ-KRWDZBQOSA-N 1 0 288.435 3.376 10 0 CGAERO Cn1cc(C[NH2+]Cc2ccc3c(c2)OCO3)c2ccccc21 ZINC000057353185 369535135 /nfs/dbraw/zinc/53/51/35/369535135.db2.gz UFPNLQHKZLKFSS-UHFFFAOYSA-N 1 0 294.354 3.197 10 0 CGAERO CC(C)n1cc(C[NH2+]CCCCO)c2ccccc21 ZINC000057353265 369535758 /nfs/dbraw/zinc/53/57/58/369535758.db2.gz XRMSIGKSEUVHLO-UHFFFAOYSA-N 1 0 260.381 3.084 10 0 CGAERO COCC[N@H+](C/C=C/c1ccccc1)Cc1ccncc1 ZINC000055404176 369516020 /nfs/dbraw/zinc/51/60/20/369516020.db2.gz YZWHCISJMQOACX-VMPITWQZSA-N 1 0 282.387 3.243 10 0 CGAERO CCCCCC[NH2+]C[C@H](O)CO[C@H]1CCCC[C@@H]1C ZINC000070192106 369789052 /nfs/dbraw/zinc/78/90/52/369789052.db2.gz NYTKIZDLKGORLQ-JYJNAYRXSA-N 1 0 271.445 3.113 10 0 CGAERO Cc1ccc(-c2nc(C(C)C)cc(N3CC[C@@H]([NH3+])C3)n2)cc1 ZINC000070455790 369801381 /nfs/dbraw/zinc/80/13/81/369801381.db2.gz ICAAYLPXVSUGRV-OAHLLOKOSA-N 1 0 296.418 3.113 10 0 CGAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000073716794 369864743 /nfs/dbraw/zinc/86/47/43/369864743.db2.gz VXZMHWRQJSKXQV-QWRGUYRKSA-N 1 0 298.377 3.309 10 0 CGAERO CCc1ccc(C[NH+]2CCC(c3cnn(CC)c3)CC2)o1 ZINC000092809237 370101675 /nfs/dbraw/zinc/10/16/75/370101675.db2.gz IQRFUDITTKJXSM-UHFFFAOYSA-N 1 0 287.407 3.438 10 0 CGAERO Cc1ccsc1C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000092812765 370103095 /nfs/dbraw/zinc/10/30/95/370103095.db2.gz 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CC(C)c1nnc2n1C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)C1)CC2 ZINC000245542541 376847477 /nfs/dbraw/zinc/84/74/77/376847477.db2.gz PYXPZQDBDFKBRW-KFWWJZLASA-N 1 0 290.455 3.132 10 0 CGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1csc(C)c1C ZINC000245608158 376868462 /nfs/dbraw/zinc/86/84/62/376868462.db2.gz RVEODIPEGMEUCF-KBPBESRZSA-N 1 0 292.448 3.064 10 0 CGAERO Cc1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c(C)c1 ZINC000246130213 376973601 /nfs/dbraw/zinc/97/36/01/376973601.db2.gz KUPYRTBJPDRLCN-HZPDHXFCSA-N 1 0 277.433 3.010 10 0 CGAERO COc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1Cl ZINC000245799814 376911371 /nfs/dbraw/zinc/91/13/71/376911371.db2.gz PEFINYXYSRXCHH-OCCSQVGLSA-N 1 0 294.826 3.017 10 0 CGAERO COc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1Cl ZINC000245799804 376911443 /nfs/dbraw/zinc/91/14/43/376911443.db2.gz PEFINYXYSRXCHH-JSGCOSHPSA-N 1 0 294.826 3.017 10 0 CGAERO Cc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000246364092 377015745 /nfs/dbraw/zinc/01/57/45/377015745.db2.gz 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ZINC000246872992 377110638 /nfs/dbraw/zinc/11/06/38/377110638.db2.gz QCWFTCQYVODPKG-DLBZAZTESA-N 1 0 295.398 3.140 10 0 CGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(C)c1C ZINC000246861202 377104629 /nfs/dbraw/zinc/10/46/29/377104629.db2.gz DGWNXIPQOJWCFA-HOTGVXAUSA-N 1 0 286.419 3.002 10 0 CGAERO CCCO[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(C)cc2)CC1 ZINC000247491059 377212576 /nfs/dbraw/zinc/21/25/76/377212576.db2.gz KYIGNJXTNPCANX-ZWKOTPCHSA-N 1 0 291.435 3.310 10 0 CGAERO C[C@H](CO)[C@H](C)[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000247951721 377246745 /nfs/dbraw/zinc/24/67/45/377246745.db2.gz FCMMWPBEMKTPCO-SUNKGSAMSA-N 1 0 283.799 3.160 10 0 CGAERO C[C@@H]1C[C@H](C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC(C)(C)C1 ZINC000248560563 377347128 /nfs/dbraw/zinc/34/71/28/377347128.db2.gz MLHKMPZYZSDLCJ-KFWWJZLASA-N 1 0 292.467 3.049 10 0 CGAERO CCn1cc([C@@H]2C[N@H+](C[C@@H]3CCCC[C@H]3C)CCO2)cn1 ZINC000248909710 377427706 /nfs/dbraw/zinc/42/77/06/377427706.db2.gz XQXGTMFOVHSRCW-VYDXJSESSA-N 1 0 291.439 3.103 10 0 CGAERO Fc1cccc(N2CCC[C@H]([NH2+]C[C@H]3CCC=CO3)C2)c1 ZINC000249054845 377453779 /nfs/dbraw/zinc/45/37/79/377453779.db2.gz YKXDEAPNAMHJCK-DOTOQJQBSA-N 1 0 290.382 3.077 10 0 CGAERO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1C[C@H]1CC2(CCC2)C(=O)O1 ZINC000248819928 377406129 /nfs/dbraw/zinc/40/61/29/377406129.db2.gz FLNKXYJMKFMQAZ-DJIMGWMZSA-N 1 0 299.414 3.350 10 0 CGAERO C([C@H]1CCC2(CCCCC2)O1)[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000248830427 377408938 /nfs/dbraw/zinc/40/89/38/377408938.db2.gz LCVBEONDZCQHTF-BBWFWOEESA-N 1 0 293.451 3.369 10 0 CGAERO CC(C)(C)C1CCC([NH2+]C[C@H]2CCC[C@H]2O)CC1 ZINC000089163967 249028534 /nfs/dbraw/zinc/02/85/34/249028534.db2.gz HVAAMDYMUYZDCD-XSCHDIRWSA-N 1 0 253.430 3.342 10 0 CGAERO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000091344641 249031184 /nfs/dbraw/zinc/03/11/84/249031184.db2.gz KDBRBOHAZICLNQ-XNRPHZJLSA-N 1 0 281.827 3.412 10 0 CGAERO CCc1ccc([C@H](CC)[NH2+]C[C@H]2CN(CC)CCO2)cc1 ZINC000165247721 542172860 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CC[C@H](CC(=O)N(C)[C@H]1CCC[NH2+]CC1)C(C)(C)C ZINC000638193273 378730878 /nfs/dbraw/zinc/73/08/78/378730878.db2.gz QXCHESFXSCRMLR-KGLIPLIRSA-N 1 0 268.445 3.049 10 0 CGAERO CC(C)(C)c1csc(C[N@@H+]2CCCC[C@H](CO)C2)n1 ZINC000378129654 379779820 /nfs/dbraw/zinc/77/98/20/379779820.db2.gz WSYCGYBEULYQLS-LBPRGKRZSA-N 1 0 282.453 3.035 10 0 CGAERO CC[C@H](C)Oc1cccc(N[C@@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000400728349 379953201 /nfs/dbraw/zinc/95/32/01/379953201.db2.gz QAGGNZLIWQFYSJ-IHRRRGAJSA-N 1 0 262.397 3.274 10 0 CGAERO C[C@H](C[NH2+][C@@H](C)c1ccco1)N(C)C(=O)OC(C)(C)C ZINC000283429058 380061919 /nfs/dbraw/zinc/06/19/19/380061919.db2.gz SFCCJXFDJJBYBM-NEPJUHHUSA-N 1 0 282.384 3.186 10 0 CGAERO Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000646091333 380828093 /nfs/dbraw/zinc/82/80/93/380828093.db2.gz LUAORQPVQANKQK-IACUBPJLSA-N 1 0 292.810 3.365 10 0 CGAERO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000219289863 542286321 /nfs/dbraw/zinc/28/63/21/542286321.db2.gz GWYCHZZYBDRZJB-KGLIPLIRSA-N 1 0 294.370 3.144 10 0 CGAERO OC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000246002969 542325024 /nfs/dbraw/zinc/32/50/24/542325024.db2.gz GSFFYLGBDQSISG-IAOVAPTHSA-N 1 0 277.383 3.344 10 0 CGAERO CC(C)Cc1ccc([C@@H](O)C[NH2+][C@@H](C)C2CC2)cc1 ZINC000037889608 184542492 /nfs/dbraw/zinc/54/24/92/184542492.db2.gz CKBVCZCGNBVCET-GUYCJALGSA-N 1 0 261.409 3.307 10 0 CGAERO O[C@@H]1CCC[C@H](C[NH2+][C@H](c2cccs2)C2CC2)C1 ZINC000300414776 542412320 /nfs/dbraw/zinc/41/23/20/542412320.db2.gz OGWSVXCSCGZGJH-LNSITVRQSA-N 1 0 265.422 3.340 10 0 CGAERO CCC1(CC)CC[NH+](C[C@H]2CCC[C@H](O)C2)CC1 ZINC000310739913 542428589 /nfs/dbraw/zinc/42/85/89/542428589.db2.gz HKSYSSCUZFUJDB-GJZGRUSLSA-N 1 0 253.430 3.440 10 0 CGAERO CC1CCC(C[NH2+]Cc2n[nH]cc2Br)CC1 ZINC000309789329 542425839 /nfs/dbraw/zinc/42/58/39/542425839.db2.gz OUYWPFZOFFRQHG-UHFFFAOYSA-N 1 0 286.217 3.088 10 0 CGAERO O[C@@H]1CCCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1c(F)cccc1F ZINC000253226272 285312947 /nfs/dbraw/zinc/31/29/47/285312947.db2.gz IZPVRCZIOLKZCG-CSMYWGQOSA-N 1 0 295.373 3.480 10 0 CGAERO C[C@H]1CC[N@H+](Cc2nc(-c3ccoc3)no2)C[C@H](C)C1 ZINC000127354603 533643977 /nfs/dbraw/zinc/64/39/77/533643977.db2.gz ZQIZZSPVGZUEGV-NWDGAFQWSA-N 1 0 275.352 3.198 10 0 CGAERO c1cc(-c2noc(-c3ccc4c(c3)C[NH2+]C4)n2)cs1 ZINC000131233980 285431805 /nfs/dbraw/zinc/43/18/05/285431805.db2.gz XKRJQMAMIZTDND-UHFFFAOYSA-N 1 0 269.329 3.068 10 0 CGAERO Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192147179 130381819 /nfs/dbraw/zinc/38/18/19/130381819.db2.gz PECALEOZVQHDCR-KBPBESRZSA-N 1 0 273.376 3.131 10 0 CGAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cs1 ZINC000193118994 130585385 /nfs/dbraw/zinc/58/53/85/130585385.db2.gz ODHRDOVFNMAQOP-CABZTGNLSA-N 1 0 259.802 3.042 10 0 CGAERO CN1CC[NH+](C2(c3ccccc3)CCCCC2)CC1 ZINC000022042002 391944292 /nfs/dbraw/zinc/94/42/92/391944292.db2.gz OYUCDSLJJSMPAE-UHFFFAOYSA-N 1 0 258.409 3.093 10 0 CGAERO COc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2CO)cc1F ZINC000223853211 130797381 /nfs/dbraw/zinc/79/73/81/130797381.db2.gz PZRBSULODINYAB-LNSITVRQSA-N 1 0 281.371 3.036 10 0 CGAERO CCOC(=O)CCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000070248004 392179810 /nfs/dbraw/zinc/17/98/10/392179810.db2.gz RDOQFCMKYQGATL-NSHDSACASA-N 1 0 269.772 3.334 10 0 CGAERO CCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000094955500 392242794 /nfs/dbraw/zinc/24/27/94/392242794.db2.gz HELGKMFSGCKNJP-STQMWFEESA-N 1 0 280.387 3.090 10 0 CGAERO Cc1ccc(NC(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1 ZINC000071936944 392193972 /nfs/dbraw/zinc/19/39/72/392193972.db2.gz ZBUHDOZDDAWZLL-OAHLLOKOSA-N 1 0 277.412 3.093 10 0 CGAERO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000092566336 392233211 /nfs/dbraw/zinc/23/32/11/392233211.db2.gz VWHOHOMJTQHBDU-FQKPHLNHSA-N 1 0 251.414 3.216 10 0 CGAERO Cc1cc(N2CCCCC2)c(Br)c[nH+]1 ZINC000098178778 392263402 /nfs/dbraw/zinc/26/34/02/392263402.db2.gz ZAIQFLZYGDWOEI-UHFFFAOYSA-N 1 0 255.159 3.143 10 0 CGAERO 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ZINC000081574898 165166749 /nfs/dbraw/zinc/16/67/49/165166749.db2.gz RUMJLKFEKUGTHH-ZDUSSCGKSA-N 1 0 259.349 3.240 10 0 CGAERO C[C@@H](CS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000081899440 165167435 /nfs/dbraw/zinc/16/74/35/165167435.db2.gz WKLOHTUOTOUAPI-STQMWFEESA-N 1 0 297.464 3.068 10 0 CGAERO Fc1ccc(F)c(C[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000090473579 165234218 /nfs/dbraw/zinc/23/42/18/165234218.db2.gz MVBGSTRMXOYKAS-UHFFFAOYSA-N 1 0 291.345 3.074 10 0 CGAERO CCCn1ccc(C[NH2+][C@@H]2COc3ccccc32)c1 ZINC000091015845 165249198 /nfs/dbraw/zinc/24/91/98/165249198.db2.gz SDKITDWQBRHMSN-OAHLLOKOSA-N 1 0 256.349 3.121 10 0 CGAERO CCCn1ccc(C[NH2+]CCc2ccc(F)cc2)c1 ZINC000091009025 165250384 /nfs/dbraw/zinc/25/03/84/165250384.db2.gz JMCAAKZTQOOGGO-UHFFFAOYSA-N 1 0 260.356 3.370 10 0 CGAERO CCn1cccc1C[NH2+][C@H]1CCOc2ccccc21 ZINC000091024539 165256154 /nfs/dbraw/zinc/25/61/54/165256154.db2.gz VOOYVPLEDNUOOQ-HNNXBMFYSA-N 1 0 256.349 3.121 10 0 CGAERO CC1CCN(C(=O)C2CC[NH+](CC(C)(C)C)CC2)CC1 ZINC000092145418 165283453 /nfs/dbraw/zinc/28/34/53/165283453.db2.gz XRSIXGYZGKHVFB-UHFFFAOYSA-N 1 0 280.456 3.003 10 0 CGAERO CCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(C)c2)C1 ZINC000092708369 165306523 /nfs/dbraw/zinc/30/65/23/165306523.db2.gz ADEYHOOOEWZIHH-HNNXBMFYSA-N 1 0 292.398 3.015 10 0 CGAERO COc1cc([C@H](C)[NH2+][C@H]2CCCCC[C@@H]2O)ccc1F ZINC000135636357 165443643 /nfs/dbraw/zinc/44/36/43/165443643.db2.gz QHINIWQZWFAVAK-CQDKDKBSSA-N 1 0 281.371 3.179 10 0 CGAERO CCN(C(=O)C[C@H]1CCCC[C@@H]1[NH3+])c1ccc(C)cc1 ZINC000261816192 165835720 /nfs/dbraw/zinc/83/57/20/165835720.db2.gz SUQKNCJRIHBRPN-ZBFHGGJFSA-N 1 0 274.408 3.256 10 0 CGAERO CC[C@]1(C(=O)N2CCC[C@@H](C(C)(C)C)CC2)CCC[NH2+]1 ZINC000122183479 287207174 /nfs/dbraw/zinc/20/71/74/287207174.db2.gz MFSNLDLDLMBBCF-RHSMWYFYSA-N 1 0 280.456 3.193 10 0 CGAERO COc1ccc(C[C@H]([NH3+])Cc2ccc(Cl)cc2)cc1 ZINC000011601123 170425692 /nfs/dbraw/zinc/42/56/92/170425692.db2.gz BCSVIOTUDGEGIE-OAHLLOKOSA-N 1 0 275.779 3.461 10 0 CGAERO CC(C)[NH+](CCN[C@@H]1CCOc2ccccc21)C(C)C ZINC000019901165 170912949 /nfs/dbraw/zinc/91/29/49/170912949.db2.gz BGUAHWOLCWSAOQ-MRXNPFEDSA-N 1 0 276.424 3.219 10 0 CGAERO C[C@H]1CCC[C@H]([NH2+]CCCOCc2ccco2)C1 ZINC000020146981 171033849 /nfs/dbraw/zinc/03/38/49/171033849.db2.gz GLSGYOYIKCNXLM-KBPBESRZSA-N 1 0 251.370 3.355 10 0 CGAERO CSCCC[NH2+]CCCn1ccc2ccccc21 ZINC000020188760 171053503 /nfs/dbraw/zinc/05/35/03/171053503.db2.gz ZZWCOXBVWICYPH-UHFFFAOYSA-N 1 0 262.422 3.374 10 0 CGAERO CC(C)[NH+]1CCC(N[C@@H](C)c2cccc(F)c2)CC1 ZINC000020189319 171054910 /nfs/dbraw/zinc/05/49/10/171054910.db2.gz GEVZYIJROLAAGE-ZDUSSCGKSA-N 1 0 264.388 3.349 10 0 CGAERO COCCOCCC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000020191777 171057765 /nfs/dbraw/zinc/05/77/65/171057765.db2.gz HDEMRWRPWDFANJ-HUUCEWRRSA-N 1 0 271.445 3.234 10 0 CGAERO Cc1cccc(CN(C)[C@@H](C[NH3+])c2ccccc2F)c1 ZINC000020225596 171087901 /nfs/dbraw/zinc/08/79/01/171087901.db2.gz XKKXVYRBBJMNAG-KRWDZBQOSA-N 1 0 272.367 3.266 10 0 CGAERO Cc1ccc([C@@H](C[NH3+])N(C)Cc2ccc(F)cc2)cc1 ZINC000020225551 171088409 /nfs/dbraw/zinc/08/84/09/171088409.db2.gz IJLALTWTFPVGKG-QGZVFWFLSA-N 1 0 272.367 3.266 10 0 CGAERO CC(C)CN(C)[C@@H](C[NH3+])c1c(F)cccc1Cl ZINC000020226286 171091762 /nfs/dbraw/zinc/09/17/62/171091762.db2.gz UEHFILYOWHYJGW-LBPRGKRZSA-N 1 0 258.768 3.067 10 0 CGAERO CN(CC1CC1)[C@@H](C[NH3+])c1cccc(Cl)c1Cl ZINC000020226732 171092146 /nfs/dbraw/zinc/09/21/46/171092146.db2.gz SSGRGRCLHZGFJI-LBPRGKRZSA-N 1 0 273.207 3.335 10 0 CGAERO CC(C)C[C@@H]([NH3+])C(=O)Nc1cccc(Cl)c1Cl ZINC000020246464 171100587 /nfs/dbraw/zinc/10/05/87/171100587.db2.gz JLHUZNFBZLRLFU-SECBINFHSA-N 1 0 275.179 3.305 10 0 CGAERO [NH3+][C@@H](CC1CCCCC1)c1ccc2c(c1)CC(=O)N2 ZINC000020252287 171104424 /nfs/dbraw/zinc/10/44/24/171104424.db2.gz QSSGMALQHUCDTC-AWEZNQCLSA-N 1 0 258.365 3.151 10 0 CGAERO NC(=[NH2+])c1ccc(Oc2ccc3c(c2)CCC3)cc1 ZINC000020297074 171137072 /nfs/dbraw/zinc/13/70/72/171137072.db2.gz HHSWXLOTNCCPIZ-UHFFFAOYSA-N 1 0 252.317 3.252 10 0 CGAERO COc1ccc([C@@H]([NH3+])c2ccc(Cl)s2)c(OC)c1 ZINC000020375041 171170333 /nfs/dbraw/zinc/17/03/33/171170333.db2.gz AHSAWZNJUFQJBA-CYBMUJFWSA-N 1 0 283.780 3.467 10 0 CGAERO [NH3+]C1(CCOc2cccc(Br)c2)CCCC1 ZINC000020398846 171181601 /nfs/dbraw/zinc/18/16/01/171181601.db2.gz NUAPXHUSNBVTKJ-UHFFFAOYSA-N 1 0 284.197 3.490 10 0 CGAERO Fc1cc(Br)ccc1N[C@H]1C[NH+]2CCC1CC2 ZINC000020440593 171204279 /nfs/dbraw/zinc/20/42/79/171204279.db2.gz AXXLSDBNFKDPRB-ZDUSSCGKSA-N 1 0 299.187 3.094 10 0 CGAERO C[C@@H]([NH3+])c1cc(F)ccc1OCC(F)(F)C(F)F ZINC000020518290 171233307 /nfs/dbraw/zinc/23/33/07/171233307.db2.gz MHGDUBBQJNJZMK-ZCFIWIBFSA-N 1 0 269.213 3.125 10 0 CGAERO C[C@H]([NH3+])c1ccc(OCCCc2ccncc2)cc1 ZINC000020519650 171233596 /nfs/dbraw/zinc/23/35/96/171233596.db2.gz XYFCBEYYOLFPQJ-ZDUSSCGKSA-N 1 0 256.349 3.113 10 0 CGAERO CCCCCC[C@H](C[NH3+])N1CCc2sccc2C1 ZINC000020520570 171233963 /nfs/dbraw/zinc/23/39/63/171233963.db2.gz BHUMPCRMXSUTDN-CQSZACIVSA-N 1 0 266.454 3.404 10 0 CGAERO Oc1cccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000020595996 171264603 /nfs/dbraw/zinc/26/46/03/171264603.db2.gz BHFXPLQLSDSDIH-MRXNPFEDSA-N 1 0 268.360 3.079 10 0 CGAERO FC(F)(F)c1ccc(OCCC[NH2+]C2CC2)cc1 ZINC000020595722 171264751 /nfs/dbraw/zinc/26/47/51/171264751.db2.gz NWWFHSSHVUVBPV-UHFFFAOYSA-N 1 0 259.271 3.226 10 0 CGAERO CCCOc1ccc(C[NH2+]C(C)(C)C)cc1OC ZINC000020930921 171281016 /nfs/dbraw/zinc/28/10/16/171281016.db2.gz MXODOXIJGRGCKL-UHFFFAOYSA-N 1 0 251.370 3.372 10 0 CGAERO CCCOc1ccc(C[NH2+]Cc2ccccn2)cc1OC ZINC000020931240 171281155 /nfs/dbraw/zinc/28/11/55/171281155.db2.gz CEKXXHXVCVLBCD-UHFFFAOYSA-N 1 0 286.375 3.169 10 0 CGAERO CC1(C)Cc2cccc(O[C@@H]3CCCCC[C@@H]3[NH3+])c2O1 ZINC000021061566 171297186 /nfs/dbraw/zinc/29/71/86/171297186.db2.gz SWIKDDOTKYXZDL-UONOGXRCSA-N 1 0 275.392 3.439 10 0 CGAERO Cc1ccc(C)c([C@H](N)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000021810454 171328969 /nfs/dbraw/zinc/32/89/69/171328969.db2.gz KXGKNDGNQTVAQJ-JKIFEVAISA-N 1 0 260.425 3.281 10 0 CGAERO CC1CC[NH+](C[C@@H](N)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000021812406 171329673 /nfs/dbraw/zinc/32/96/73/171329673.db2.gz BMZWXGRRCYDLNQ-AWDGRILASA-N 1 0 276.468 3.262 10 0 CGAERO COCCO[C@@H]1CCCCCCCCCC[C@H]1[NH3+] ZINC000021817244 171332896 /nfs/dbraw/zinc/33/28/96/171332896.db2.gz DMBSPNCPHGDQQE-HUUCEWRRSA-N 1 0 257.418 3.260 10 0 CGAERO C[C@@H](c1cccc(C(F)(F)F)c1)N1CCC[NH2+]CC1 ZINC000022106551 171353020 /nfs/dbraw/zinc/35/30/20/171353020.db2.gz YDAKMIGVBWTJPW-NSHDSACASA-N 1 0 272.314 3.062 10 0 CGAERO [NH3+]Cc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000022143918 171355812 /nfs/dbraw/zinc/35/58/12/171355812.db2.gz HAUWQRVFHKJFGK-UHFFFAOYSA-N 1 0 268.238 3.351 10 0 CGAERO C[C@H](C(=O)Nc1ccc(Cl)cc1N)[NH+]1CCCCCC1 ZINC000022155170 171361686 /nfs/dbraw/zinc/36/16/86/171361686.db2.gz VWLSTKBWTVCOOJ-LLVKDONJSA-N 1 0 295.814 3.125 10 0 CGAERO Cc1cccc(C(=O)Nc2cccc([C@@H](C)[NH3+])c2)c1 ZINC000022174288 171369323 /nfs/dbraw/zinc/36/93/23/171369323.db2.gz ZYPQRGZJHWAOGD-GFCCVEGCSA-N 1 0 254.333 3.267 10 0 CGAERO [NH3+]C[C@@H](c1ccc(F)c(F)c1)N1CCc2ccccc21 ZINC000022175051 171369818 /nfs/dbraw/zinc/36/98/18/171369818.db2.gz WFJICEOEDLMPIH-INIZCTEOSA-N 1 0 274.314 3.027 10 0 CGAERO C[C@H]1CCCCN1[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000022177001 171371060 /nfs/dbraw/zinc/37/10/60/171371060.db2.gz DHORVDQPVUBQDA-FZMZJTMJSA-N 1 0 297.240 3.323 10 0 CGAERO Cc1cccc(C(=O)Nc2ccc(C[NH3+])cc2)c1C ZINC000022177374 171371718 /nfs/dbraw/zinc/37/17/18/171371718.db2.gz DEZOZXUYCKNVOL-UHFFFAOYSA-N 1 0 254.333 3.014 10 0 CGAERO C[C@H]1CCC[C@H](C)[NH+]1CC(=O)Nc1ccc(Cl)c(N)c1 ZINC000022211096 171373402 /nfs/dbraw/zinc/37/34/02/171373402.db2.gz HAHVBQWHVYUOOE-QWRGUYRKSA-N 1 0 295.814 3.124 10 0 CGAERO CN(c1ccccc1)[C@@H](C[NH3+])c1c(F)cccc1F ZINC000022212390 171373927 /nfs/dbraw/zinc/37/39/27/171373927.db2.gz XTZRBOYHNLCZAL-AWEZNQCLSA-N 1 0 262.303 3.101 10 0 CGAERO CN(c1ccccc1)[C@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000022213245 171374502 /nfs/dbraw/zinc/37/45/02/171374502.db2.gz JSLQYWPLBREOTG-OAHLLOKOSA-N 1 0 262.303 3.101 10 0 CGAERO Cc1cccc(C(=O)Nc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000022215051 171375526 /nfs/dbraw/zinc/37/55/26/171375526.db2.gz DMJZFKWDZHHYEH-LBPRGKRZSA-N 1 0 254.333 3.267 10 0 CGAERO C[C@@H]([NH3+])c1cccc(NC(=O)c2ccc(F)cc2F)c1 ZINC000022221582 171378172 /nfs/dbraw/zinc/37/81/72/171378172.db2.gz RXLNVNLMSWNJGO-SECBINFHSA-N 1 0 276.286 3.237 10 0 CGAERO [NH3+][C@H](COCC(F)(F)F)c1ccc2ccccc2c1 ZINC000022562536 171391131 /nfs/dbraw/zinc/39/11/31/171391131.db2.gz SNDRPIQYURJEPZ-CYBMUJFWSA-N 1 0 269.266 3.419 10 0 CGAERO COc1ccc(C)cc1[C@@H]([NH3+])COc1ccccc1C ZINC000022565212 171391749 /nfs/dbraw/zinc/39/17/49/171391749.db2.gz VUNBKXCQBCJQPF-HNNXBMFYSA-N 1 0 271.360 3.391 10 0 CGAERO CCC[NH2+][C@@H](C)c1ccccc1Sc1nncn1C ZINC000034668769 171855424 /nfs/dbraw/zinc/85/54/24/171855424.db2.gz ICBNWDYWDNTHLM-NSHDSACASA-N 1 0 276.409 3.027 10 0 CGAERO COc1ccc([C@@H]([NH3+])C2CCC2)cc1Br ZINC000034958783 171904674 /nfs/dbraw/zinc/90/46/74/171904674.db2.gz SUYQSBADPXROIQ-LBPRGKRZSA-N 1 0 270.170 3.258 10 0 CGAERO COc1ccc(C)cc1C[NH2+][C@@H](C)c1ccncc1 ZINC000035162043 172022411 /nfs/dbraw/zinc/02/24/11/172022411.db2.gz XFEVXRHBTNLGDX-ZDUSSCGKSA-N 1 0 256.349 3.249 10 0 CGAERO CCc1ccc([C@@H]([NH3+])CN(C)Cc2ccccc2)cc1 ZINC000035206608 172051349 /nfs/dbraw/zinc/05/13/49/172051349.db2.gz SDOQHHYXHBXVQX-SFHVURJKSA-N 1 0 268.404 3.381 10 0 CGAERO [NH3+]Cc1ccc(C(=O)Nc2cc(Cl)ccc2F)cc1 ZINC000035284648 172102594 /nfs/dbraw/zinc/10/25/94/172102594.db2.gz SJUBYNMMZMYFHJ-UHFFFAOYSA-N 1 0 278.714 3.190 10 0 CGAERO CCC[C@@H](C)[C@H]([NH3+])c1cc2c(cc1F)NC(=O)CC2 ZINC000035359640 172149853 /nfs/dbraw/zinc/14/98/53/172149853.db2.gz QTNWTSUQVWAFMY-PSLIRLAXSA-N 1 0 264.344 3.146 10 0 CGAERO Cc1ccsc1[C@H]([NH3+])c1cc2c(cc1Cl)NC(=O)C2 ZINC000035382679 172165294 /nfs/dbraw/zinc/16/52/94/172165294.db2.gz NVAWNNQQHZMAIT-CYBMUJFWSA-N 1 0 292.791 3.253 10 0 CGAERO C[NH2+][C@H](c1cc2c(cc1Cl)OCCO2)[C@H]1C[C@@H]1C ZINC000035501417 172235509 /nfs/dbraw/zinc/23/55/09/172235509.db2.gz AXPLGUDTYAHKPV-FZNYLWTLSA-N 1 0 267.756 3.028 10 0 CGAERO CC[C@H](C)[C@@H]([NH2+]C)c1ccc2c(c1)CCCC(=O)N2 ZINC000035503375 172237900 /nfs/dbraw/zinc/23/79/00/172237900.db2.gz TXBBUQVQKLOWMH-MEDUHNTESA-N 1 0 260.381 3.268 10 0 CGAERO CC[NH2+][C@@H](c1ccc(OC)cc1OC)C(C)(C)C ZINC000035546016 172254238 /nfs/dbraw/zinc/25/42/38/172254238.db2.gz HMXSUVKEVNVAPX-AWEZNQCLSA-N 1 0 251.370 3.401 10 0 CGAERO CC[NH2+][C@@H](Cc1ncc[nH]1)c1ccccc1Br ZINC000035570436 172266751 /nfs/dbraw/zinc/26/67/51/172266751.db2.gz NRJAUFHSZAFMFE-LBPRGKRZSA-N 1 0 294.196 3.066 10 0 CGAERO CCC[C@@H]([NH2+]CC)c1cc2c(cc1Cl)NC(=O)C2 ZINC000035571940 172268186 /nfs/dbraw/zinc/26/81/86/172268186.db2.gz FOLYZTGOGZOXRR-GFCCVEGCSA-N 1 0 266.772 3.285 10 0 CGAERO C[NH2+][C@H]1CCCOc2c1cc(OC)cc2C(C)(C)C ZINC000035652754 172329998 /nfs/dbraw/zinc/32/99/98/172329998.db2.gz TWOXHZXMMCQLMF-AWEZNQCLSA-N 1 0 263.381 3.426 10 0 CGAERO Cc1ccc(CN(C)[C@H](C[NH3+])c2ccc(Cl)s2)o1 ZINC000035699482 172368152 /nfs/dbraw/zinc/36/81/52/172368152.db2.gz SLKAZJUNOOZDNF-LLVKDONJSA-N 1 0 284.812 3.435 10 0 CGAERO CN(Cc1ccco1)c1cc(Br)ccc1C[NH3+] ZINC000035716392 172370051 /nfs/dbraw/zinc/37/00/51/172370051.db2.gz DOLSQKNVZZMTBB-UHFFFAOYSA-N 1 0 295.180 3.137 10 0 CGAERO C[N@H+](Cc1ccsc1)Cc1ccc(C(N)=S)cc1 ZINC000035719218 172372761 /nfs/dbraw/zinc/37/27/61/172372761.db2.gz WZZRFOVHZNOMEE-UHFFFAOYSA-N 1 0 276.430 3.014 10 0 CGAERO Cc1ccc([C@H](C[NH3+])N(C)Cc2ccsc2)s1 ZINC000035718964 172372800 /nfs/dbraw/zinc/37/28/00/172372800.db2.gz NZQUYNNYEMAIRT-LBPRGKRZSA-N 1 0 266.435 3.250 10 0 CGAERO C[C@H]1CCC[C@@](C[NH3+])(N(C)Cc2ccsc2)C1 ZINC000035719091 172373166 /nfs/dbraw/zinc/37/31/66/172373166.db2.gz QSWALIJOQCYCQK-GXTWGEPZSA-N 1 0 252.427 3.088 10 0 CGAERO CN(Cc1ccsc1)C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000035719383 172373875 /nfs/dbraw/zinc/37/38/75/172373875.db2.gz UZDDBFMHHGGASQ-KKUMJFAQSA-N 1 0 264.438 3.101 10 0 CGAERO CCN([C@H](C[NH3+])c1c(F)cccc1F)C1CCCC1 ZINC000035765447 172405959 /nfs/dbraw/zinc/40/59/59/172405959.db2.gz UUEBKEQOIYALFH-CQSZACIVSA-N 1 0 268.351 3.229 10 0 CGAERO C[C@H](CCc1ccco1)Nc1c[nH+]ccc1N(C)C ZINC000036941037 172817991 /nfs/dbraw/zinc/81/79/91/172817991.db2.gz VMGJBOUOHJHALC-GFCCVEGCSA-N 1 0 259.353 3.174 10 0 CGAERO C[C@@H]([NH2+]Cc1cscc1Br)[C@@H]1CCCO1 ZINC000285597624 196338400 /nfs/dbraw/zinc/33/84/00/196338400.db2.gz YBSZCWQSWMEKLU-KCJUWKMLSA-N 1 0 290.226 3.168 10 0 CGAERO CC[C@H]1CCCCN1C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000037083494 172940969 /nfs/dbraw/zinc/94/09/69/172940969.db2.gz OVSYCSAPSPXYSN-VGWMRTNUSA-N 1 0 250.430 3.172 10 0 CGAERO CC[N@@H+]1CCC[C@H]([C@@H](C)Nc2c(F)cccc2F)C1 ZINC000037221941 173041989 /nfs/dbraw/zinc/04/19/89/173041989.db2.gz OHYBGCMXVORSGM-NEPJUHHUSA-N 1 0 268.351 3.497 10 0 CGAERO C[N@H+](Cc1ccccc1)Cc1ccc2c(c1)CCN2 ZINC000037323412 173124072 /nfs/dbraw/zinc/12/40/72/173124072.db2.gz XBWKBGZIBAAKCR-UHFFFAOYSA-N 1 0 252.361 3.287 10 0 CGAERO C[N@H+](CC(=O)Cc1ccccc1)C1CCCCCC1 ZINC000037340232 173142294 /nfs/dbraw/zinc/14/22/94/173142294.db2.gz LHAYJPXTRDXYQI-UHFFFAOYSA-N 1 0 259.393 3.453 10 0 CGAERO CC[C@@H](C)[C@@H]([NH3+])c1nc2cc(Cl)ccc2n1C ZINC000037440280 173210288 /nfs/dbraw/zinc/21/02/88/173210288.db2.gz YRROOHRCFIEEFW-PRHODGIISA-N 1 0 251.761 3.273 10 0 CGAERO CC[C@H](C)[C@@H]([NH3+])c1nc2cc(Br)ccc2n1C ZINC000037441373 173211031 /nfs/dbraw/zinc/21/10/31/173211031.db2.gz XNNCMUJVIGGEEB-QPUJVOFHSA-N 1 0 296.212 3.382 10 0 CGAERO CC(C)n1c(C[C@H](C)[NH3+])nc2cccc(Cl)c21 ZINC000037444271 173212471 /nfs/dbraw/zinc/21/24/71/173212471.db2.gz VOBGKMPKXABBCR-VIFPVBQESA-N 1 0 251.761 3.160 10 0 CGAERO CCOC(=O)CC[C@@H]([NH3+])c1csc2ccccc21 ZINC000037636712 173584799 /nfs/dbraw/zinc/58/47/99/173584799.db2.gz HPUOKYYECUDVGK-GFCCVEGCSA-N 1 0 263.362 3.244 10 0 CGAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N(CCC(C)C)CCC(C)C ZINC000037804685 173744879 /nfs/dbraw/zinc/74/48/79/173744879.db2.gz FCTFGCQLMOJQIY-LSDHHAIUSA-N 1 0 270.461 3.281 10 0 CGAERO C[NH2+][C@H](C)CCc1cc(Br)ccc1F ZINC000038000990 173963969 /nfs/dbraw/zinc/96/39/69/173963969.db2.gz GVYRBIQZQHZFIY-MRVPVSSYSA-N 1 0 260.150 3.129 10 0 CGAERO Clc1cc2cccnc2c(NC2CC[NH2+]CC2)c1 ZINC000038040883 174041332 /nfs/dbraw/zinc/04/13/32/174041332.db2.gz XBXJRXYWJZDQAV-UHFFFAOYSA-N 1 0 261.756 3.052 10 0 CGAERO Cc1ccc(C(C)C)cc1O[C@@H](C[NH3+])C(F)(F)F ZINC000038052940 174064863 /nfs/dbraw/zinc/06/48/63/174064863.db2.gz VMNKEHAIFNBWIA-LBPRGKRZSA-N 1 0 261.287 3.387 10 0 CGAERO CCC[NH2+]Cc1cc(F)ccc1-n1cc(Cl)cn1 ZINC000038053875 174065431 /nfs/dbraw/zinc/06/54/31/174065431.db2.gz SNYDMNOTWVARCW-UHFFFAOYSA-N 1 0 267.735 3.164 10 0 CGAERO CC[NH2+]Cc1csc(-c2ccc(OCC)cc2)n1 ZINC000040414555 174255355 /nfs/dbraw/zinc/25/53/55/174255355.db2.gz LANOTFOFJGPMTC-UHFFFAOYSA-N 1 0 262.378 3.318 10 0 CGAERO Fc1ccc(OCC[NH2+]CC2CCCCC2)cc1 ZINC000041321365 174518092 /nfs/dbraw/zinc/51/80/92/174518092.db2.gz XIJIDUADVNZXHP-UHFFFAOYSA-N 1 0 251.345 3.374 10 0 CGAERO COc1cccc([C@H]([NH3+])c2cccc(Cl)c2)c1OC ZINC000041655098 174593031 /nfs/dbraw/zinc/59/30/31/174593031.db2.gz IEEIJKLUFQDEFF-CQSZACIVSA-N 1 0 277.751 3.405 10 0 CGAERO CCCN(CC(F)(F)F)C1(C[NH3+])CCC(C)CC1 ZINC000042746101 174865160 /nfs/dbraw/zinc/86/51/60/174865160.db2.gz DXOCWSWXBQVOQG-UHFFFAOYSA-N 1 0 266.351 3.168 10 0 CGAERO CC(C)c1nn(C)cc1C[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000042859522 174892897 /nfs/dbraw/zinc/89/28/97/174892897.db2.gz FEMJOUDNYIYZEB-KGLIPLIRSA-N 1 0 263.429 3.459 10 0 CGAERO C[C@@H]([NH3+])[C@@H](c1ccc(Cl)cc1)n1cc(Cl)cn1 ZINC000042947541 174922484 /nfs/dbraw/zinc/92/24/84/174922484.db2.gz GUAIGWMUKNBOEI-PELKAZGASA-N 1 0 270.163 3.127 10 0 CGAERO C[C@@H]([NH3+])[C@H](Sc1nccn1C)c1ccc(Cl)cc1 ZINC000042949989 174923393 /nfs/dbraw/zinc/92/33/93/174923393.db2.gz NCMYXVRCXIISJK-SKDRFNHKSA-N 1 0 281.812 3.254 10 0 CGAERO Cc1cccc([C@H]([C@@H](C)[NH3+])n2ccnc2C(C)C)c1 ZINC000042967800 174931585 /nfs/dbraw/zinc/93/15/85/174931585.db2.gz OYZVRTPPKRMVTQ-HIFRSBDPSA-N 1 0 257.381 3.252 10 0 CGAERO CC[C@H]([NH3+])[C@@H](c1ccccc1C)N(C)CC(F)(F)F ZINC000043035785 174950609 /nfs/dbraw/zinc/95/06/09/174950609.db2.gz ZLRAJYLWMUGVLM-QWHCGFSZSA-N 1 0 274.330 3.268 10 0 CGAERO C[C@@H]([NH3+])[C@@H](OCC(F)(F)F)c1ccccc1Cl ZINC000043053500 174960756 /nfs/dbraw/zinc/96/07/56/174960756.db2.gz PTXCREXSGREJNB-GMSGAONNSA-N 1 0 267.678 3.307 10 0 CGAERO C[C@@H]([NH3+])[C@@H](c1cccs1)N(C)Cc1cccs1 ZINC000043103727 174968827 /nfs/dbraw/zinc/96/88/27/174968827.db2.gz QYCCZBJQEPZWFK-MFKMUULPSA-N 1 0 266.435 3.330 10 0 CGAERO Cc1ccnc(NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC000043561587 175066498 /nfs/dbraw/zinc/06/64/98/175066498.db2.gz UZIBPNKGUZAJFO-GOEBONIOSA-N 1 0 261.413 3.312 10 0 CGAERO C[NH2+][C@@H]1CCC[C@H]1Cc1sccc1Br ZINC000043676298 175088381 /nfs/dbraw/zinc/08/83/81/175088381.db2.gz MYJAPWHPEDAOER-WCBMZHEXSA-N 1 0 274.227 3.441 10 0 CGAERO COc1ccc(C)cc1[C@@H](O)C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000044121896 175143250 /nfs/dbraw/zinc/14/32/50/175143250.db2.gz FADUGDIGKVAMEP-DZKIICNBSA-N 1 0 277.408 3.300 10 0 CGAERO CN(Cc1cc(Br)cs1)c1cc[nH+]cc1N ZINC000044412459 175172066 /nfs/dbraw/zinc/17/20/66/175172066.db2.gz CVLZZNYKYYWCGG-UHFFFAOYSA-N 1 0 298.209 3.124 10 0 CGAERO Cc1cccc(C[NH2+]CCc2nc3ccccc3[nH]2)c1 ZINC000057353457 175594740 /nfs/dbraw/zinc/59/47/40/175594740.db2.gz RKRASKCAEMJUJP-UHFFFAOYSA-N 1 0 265.360 3.204 10 0 CGAERO COc1cccc(N[C@@H](C[NH3+])c2cccc(Cl)c2)c1 ZINC000057573593 175599619 /nfs/dbraw/zinc/59/96/19/175599619.db2.gz XTPBHFLZKKUPQJ-HNNXBMFYSA-N 1 0 276.767 3.461 10 0 CGAERO COCCN(C(=[NH2+])C1CCCCC1)[C@H](C)C1CC1 ZINC000062992931 175680148 /nfs/dbraw/zinc/68/01/48/175680148.db2.gz NSVYDSCSQINYMQ-GFCCVEGCSA-N 1 0 252.402 3.291 10 0 CGAERO CC[NH2+]Cc1cc(Oc2cc(F)ccc2F)ccn1 ZINC000071168712 176050088 /nfs/dbraw/zinc/05/00/88/176050088.db2.gz ZTIFUGXENAIGJM-UHFFFAOYSA-N 1 0 264.275 3.262 10 0 CGAERO CCCN([C@@H](c1cccs1)C1CC1)[C@H]1CC[NH2+]C1 ZINC000071315006 176121460 /nfs/dbraw/zinc/12/14/60/176121460.db2.gz ZQRCHTRKVNCGDU-DZGCQCFKSA-N 1 0 264.438 3.273 10 0 CGAERO 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Cc1ccc(NC(=O)[C@@H](CCC[NH3+])C(C)C)c(C)c1 ZINC000076675844 177056017 /nfs/dbraw/zinc/05/60/17/177056017.db2.gz HXENPMCAQSUZPB-AWEZNQCLSA-N 1 0 262.397 3.253 10 0 CGAERO CC(C)C[C@@H](CC[NH3+])C(=O)Nc1cccc(Cl)c1 ZINC000076705906 177065579 /nfs/dbraw/zinc/06/55/79/177065579.db2.gz LHKBMSSQBQSWHU-LLVKDONJSA-N 1 0 268.788 3.290 10 0 CGAERO [NH3+]C[C@H](c1ccco1)c1ccc(Br)s1 ZINC000076712731 177068266 /nfs/dbraw/zinc/06/82/66/177068266.db2.gz WLMLRUOAUKMLKU-SSDOTTSWSA-N 1 0 272.167 3.194 10 0 CGAERO CC[NH2+][C@@H](C)c1csc(-c2ccccc2OC)n1 ZINC000076784581 177091654 /nfs/dbraw/zinc/09/16/54/177091654.db2.gz QGQHMUFXKWXQHJ-JTQLQIEISA-N 1 0 262.378 3.489 10 0 CGAERO CO[C@H]1COCC[N@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000077265946 177246705 /nfs/dbraw/zinc/24/67/05/177246705.db2.gz HYZNXFCGJQOMCZ-LJQANCHMSA-N 1 0 297.398 3.201 10 0 CGAERO Cc1ccc(Br)cc1[C@@H]1CC[C@@H]([NH3+])C1 ZINC000077607689 177284450 /nfs/dbraw/zinc/28/44/50/177284450.db2.gz QMJYCJUSJICPGP-MWLCHTKSSA-N 1 0 254.171 3.352 10 0 CGAERO Cc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2C)cc1 ZINC000121507079 416502483 /nfs/dbraw/zinc/50/24/83/416502483.db2.gz NVJIHGCFOUBBDF-SJORKVTESA-N 1 0 299.414 3.394 10 0 CGAERO Cc1cc(Cl)ccc1C[NH2+][C@H]1CCCC[C@H]1CO ZINC000129798703 287339228 /nfs/dbraw/zinc/33/92/28/287339228.db2.gz XWPJJMDXDQEDSX-ZFWWWQNUSA-N 1 0 267.800 3.289 10 0 CGAERO C[N@H+](C[C@H](O)COC(C)(C)C)C1CCC(C)(C)CC1 ZINC000131923525 287393193 /nfs/dbraw/zinc/39/31/93/287393193.db2.gz PHOZVRHMNSJQCZ-AWEZNQCLSA-N 1 0 271.445 3.063 10 0 CGAERO CC[C@H]1CCC[C@](C[NH3+])(C(=O)OC(C)(C)C)CC1 ZINC000725244641 544111837 /nfs/dbraw/zinc/11/18/37/544111837.db2.gz KYYDMEWJGFDMIG-WFASDCNBSA-N 1 0 255.402 3.264 10 0 CGAERO CC(C)(C)OC(=O)[C@@]1(C[NH3+])CCC[C@H](C(F)(F)F)C1 ZINC000725245235 544111865 /nfs/dbraw/zinc/11/18/65/544111865.db2.gz SAIUNPVLIDCJIC-CABZTGNLSA-N 1 0 281.318 3.026 10 0 CGAERO OCC1CC([NH2+][C@H]2CCCC[C@@H]2C2CCCCC2)C1 ZINC000658352859 418947299 /nfs/dbraw/zinc/94/72/99/418947299.db2.gz BKQYGWQHIWDLBZ-BNICSPFPSA-N 1 0 265.441 3.486 10 0 CGAERO OCC1CC([NH2+][C@@H]2CCCC[C@H]2C2CCCCC2)C1 ZINC000658352864 418947455 /nfs/dbraw/zinc/94/74/55/418947455.db2.gz BKQYGWQHIWDLBZ-MHVXSEJMSA-N 1 0 265.441 3.486 10 0 CGAERO CSc1cccc(C[NH2+][C@H](C)[C@H]2CCCO2)c1 ZINC000660263718 419115898 /nfs/dbraw/zinc/11/58/98/419115898.db2.gz MERZICBKQKGDBI-BXUZGUMPSA-N 1 0 251.395 3.066 10 0 CGAERO Cc1nc([C@H](C)[NH2+][C@H]2CC[C@H](C)SC2)cs1 ZINC000655710670 419073462 /nfs/dbraw/zinc/07/34/62/419073462.db2.gz DEPKRENZBNTASP-QXEWZRGKSA-N 1 0 256.440 3.386 10 0 CGAERO C[C@H](COCc1ccccc1)[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000655718553 419075660 /nfs/dbraw/zinc/07/56/60/419075660.db2.gz AYAHWPNSSQXDSG-IIAWOOMASA-N 1 0 279.449 3.465 10 0 CGAERO Fc1cc(Cl)cnc1N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656609197 419186926 /nfs/dbraw/zinc/18/69/26/419186926.db2.gz QYURXSXLTXMJIE-LBPRGKRZSA-N 1 0 297.805 3.090 10 0 CGAERO O[C@H]1CCCC[C@H]1[NH2+]C1CCC(C2CCC2)CC1 ZINC000657882891 419403283 /nfs/dbraw/zinc/40/32/83/419403283.db2.gz VUTKGSZXEQRUBD-FJBKBRRZSA-N 1 0 251.414 3.238 10 0 CGAERO c1ccc2c(c1)OCC[C@H]2[NH2+][C@@H]1CCCSCC1 ZINC000657818382 419368056 /nfs/dbraw/zinc/36/80/56/419368056.db2.gz ANKNJKYQASEFNJ-TZMCWYRMSA-N 1 0 263.406 3.386 10 0 CGAERO CC[C@@H]([NH2+]C)C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000662446895 419438552 /nfs/dbraw/zinc/43/85/52/419438552.db2.gz RKMUESCZMXKEKG-PRHODGIISA-N 1 0 289.206 3.169 10 0 CGAERO C[C@H](c1ccc(Cl)cc1Cl)N1CC[NH2+][C@@H](C)C1 ZINC000225310253 287632499 /nfs/dbraw/zinc/63/24/99/287632499.db2.gz YMYWYGDXADXECT-VHSXEESVSA-N 1 0 273.207 3.348 10 0 CGAERO CSC[C@@H](O)C[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000188212044 262284719 /nfs/dbraw/zinc/28/47/19/262284719.db2.gz YEOKUMDFNUWAMF-DOMZBBRYSA-N 1 0 281.465 3.359 10 0 CGAERO COC1CC([NH2+]C2CC(c3cccc(Cl)c3)C2)C1 ZINC000230691121 287640387 /nfs/dbraw/zinc/64/03/87/287640387.db2.gz VWJNPXRTVUEVEQ-UHFFFAOYSA-N 1 0 265.784 3.353 10 0 CGAERO c1ccc(CCN2CC[C@H]([NH2+]CC3CCCC3)C2)cc1 ZINC000040671367 270029630 /nfs/dbraw/zinc/02/96/30/270029630.db2.gz JWXAHJCXVYVHKQ-SFHVURJKSA-N 1 0 272.436 3.083 10 0 CGAERO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)C(=O)NCCC(C)C ZINC000042337302 270032570 /nfs/dbraw/zinc/03/25/70/270032570.db2.gz YHWYQZLXNLOUQK-HUUCEWRRSA-N 1 0 276.424 3.196 10 0 CGAERO CC(C)CCN(CCC(C)C)C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085367794 270043483 /nfs/dbraw/zinc/04/34/83/270043483.db2.gz IFSZZSOPJVQGGQ-LSDHHAIUSA-N 1 0 268.445 3.035 10 0 CGAERO C[C@@H](CN1CC[NH2+]CC12CCCCC2)c1ccccc1 ZINC000088395763 270043878 /nfs/dbraw/zinc/04/38/78/270043878.db2.gz HTIXGLNYQOINOY-INIZCTEOSA-N 1 0 272.436 3.398 10 0 CGAERO CNC(=O)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2C(C)C)cc1 ZINC000103173493 270045652 /nfs/dbraw/zinc/04/56/52/270045652.db2.gz LKNCZFKASQEVDG-SJORKVTESA-N 1 0 288.435 3.351 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+]CC1=Cc2ccccc2OC1 ZINC000105436429 270047467 /nfs/dbraw/zinc/04/74/67/270047467.db2.gz VHKIHWAPMVPICD-QGZVFWFLSA-N 1 0 288.435 3.028 10 0 CGAERO C[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1ccc2c(c1)CCCC2 ZINC000105863023 270048047 /nfs/dbraw/zinc/04/80/47/270048047.db2.gz WFCIINUKBAQRLV-CYBMUJFWSA-N 1 0 288.435 3.131 10 0 CGAERO CCCCN(C(=O)[C@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000094648591 265248701 /nfs/dbraw/zinc/24/87/01/265248701.db2.gz HOXVCRKFDJGHGP-ZBFHGGJFSA-N 1 0 274.408 3.208 10 0 CGAERO CCn1c(C)nnc1C[NH2+][C@@H]1CCC[C@@H]1CCC(C)C ZINC000191877074 270076704 /nfs/dbraw/zinc/07/67/04/270076704.db2.gz SAHZURHVKBUOBD-HUUCEWRRSA-N 1 0 278.444 3.301 10 0 CGAERO CC[C@H](C)[C@H](C)NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000194460794 270082171 /nfs/dbraw/zinc/08/21/71/270082171.db2.gz CRWVOUZTXGDXGC-DZKIICNBSA-N 1 0 291.439 3.023 10 0 CGAERO O[C@]12CCCC[C@H]1C[N@H+](CCSc1ccccc1)CC2 ZINC000220337529 270085958 /nfs/dbraw/zinc/08/59/58/270085958.db2.gz CHEQJSFCQSDKBJ-RDJZCZTQSA-N 1 0 291.460 3.406 10 0 CGAERO C[C@H](c1ccc(Cl)c(Cl)c1)N1CC[NH2+][C@@H](C)C1 ZINC000227534225 270087018 /nfs/dbraw/zinc/08/70/18/270087018.db2.gz DIVIWVKJXXECEY-VHSXEESVSA-N 1 0 273.207 3.348 10 0 CGAERO CCn1ccnc1C[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000250326795 270091226 /nfs/dbraw/zinc/09/12/26/270091226.db2.gz AHPDFQVURBRBGF-SOUVJXGZSA-N 1 0 263.429 3.453 10 0 CGAERO C[C@@H]1CCN(CC[NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000524771219 270114830 /nfs/dbraw/zinc/11/48/30/270114830.db2.gz ZEJZZEBTNBINCB-KFWWJZLASA-N 1 0 252.446 3.133 10 0 CGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000245640028 287673443 /nfs/dbraw/zinc/67/34/43/287673443.db2.gz YJQVEDGJNPDOFE-QHRIQVFBSA-N 1 0 297.446 3.491 10 0 CGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1=CCCOC1 ZINC000245696234 287675792 /nfs/dbraw/zinc/67/57/92/287675792.db2.gz SBVBHXKUFHWVON-KBMXLJTQSA-N 1 0 251.414 3.384 10 0 CGAERO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](C)c1ncc[nH]1 ZINC000139060915 274122719 /nfs/dbraw/zinc/12/27/19/274122719.db2.gz BVEDEWPQXPCKKX-IAQYHMDHSA-N 1 0 271.364 3.147 10 0 CGAERO CCO[C@@H]1C[C@@H]([NH2+]CC=C(C)C)[C@H]1Oc1ccccc1 ZINC000248858804 287788775 /nfs/dbraw/zinc/78/87/75/287788775.db2.gz ACPJZYHACOXFCP-BRWVUGGUSA-N 1 0 275.392 3.167 10 0 CGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C)[C@H]2C)C12CCOCC2 ZINC000249056285 287799579 /nfs/dbraw/zinc/79/95/79/287799579.db2.gz XQEUMFNTVFWXLN-JZAWBGDQSA-N 1 0 295.467 3.375 10 0 CGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)C12CCOCC2 ZINC000249006849 287796611 /nfs/dbraw/zinc/79/66/11/287796611.db2.gz NYVQXNUSKNURIF-BPKGMFCQSA-N 1 0 295.467 3.375 10 0 CGAERO CC1(C)C[C@H]([NH2+][C@@H]2CCCC[C@H]2O)c2ccccc2O1 ZINC000251115769 287832066 /nfs/dbraw/zinc/83/20/66/287832066.db2.gz DBHMETFAFHFQJK-QLFBSQMISA-N 1 0 275.392 3.182 10 0 CGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1(CCO)CC1 ZINC000157477951 275680483 /nfs/dbraw/zinc/68/04/83/275680483.db2.gz PHXBWGYQFNMWMU-QLFBSQMISA-N 1 0 253.430 3.199 10 0 CGAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H]1CCC13CCCC3)CC2 ZINC000189198526 275776726 /nfs/dbraw/zinc/77/67/26/275776726.db2.gz AFMJLEBVEOKICH-UONOGXRCSA-N 1 0 288.439 3.029 10 0 CGAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(C)cc1C)CC2 ZINC000180608515 276694790 /nfs/dbraw/zinc/69/47/90/276694790.db2.gz NFVOTWZWHBMZRN-GJZGRUSLSA-N 1 0 298.434 3.123 10 0 CGAERO CC(C)(C)OC(=O)CCC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000182173799 277175140 /nfs/dbraw/zinc/17/51/40/277175140.db2.gz OXODWWFAJJMGDT-CQSZACIVSA-N 1 0 293.411 3.059 10 0 CGAERO CC(C)(C)OC(=O)N1CCC([C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000044135630 277181531 /nfs/dbraw/zinc/18/15/31/277181531.db2.gz UYVAWDXQVILRFJ-KBPBESRZSA-N 1 0 282.428 3.151 10 0 CGAERO CC(C)(C)SCC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000376763288 277223132 /nfs/dbraw/zinc/22/31/32/277223132.db2.gz DJNUQSSNSNPUPA-HIFRSBDPSA-N 1 0 271.470 3.145 10 0 CGAERO CC(C)CC1(CNC(=O)[C@H]2CCC[NH2+][C@H]2C)CCCC1 ZINC000094878792 277348885 /nfs/dbraw/zinc/34/88/85/277348885.db2.gz PCFIQQYAHNRNHS-GJZGRUSLSA-N 1 0 280.456 3.097 10 0 CGAERO COC[C@H]([NH2+]C[C@@]1(C)CCCS1)c1ccccc1 ZINC000234751364 277597265 /nfs/dbraw/zinc/59/72/65/277597265.db2.gz 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/nfs/dbraw/zinc/37/63/85/178376385.db2.gz QKWKGNOWYCITLO-UHFFFAOYSA-N 1 0 256.733 3.322 10 0 CGAERO CC(C)[C@H]1C[N@H+](CCC2=CCCCC2)[C@H](C)CN1 ZINC000083383845 178387142 /nfs/dbraw/zinc/38/71/42/178387142.db2.gz LLGJMDPTGKHHGS-GDBMZVCRSA-N 1 0 250.430 3.195 10 0 CGAERO [NH3+][C@H]1CCN(Cc2ccccc2)[C@H]1c1ccccc1F ZINC000096945421 185135802 /nfs/dbraw/zinc/13/58/02/185135802.db2.gz HJQPCIHRCDTENI-IRXDYDNUSA-N 1 0 270.351 3.100 10 0 CGAERO CC1(C)[C@H](C[NH3+])[C@H]1c1ccccc1Br ZINC000096958909 185142756 /nfs/dbraw/zinc/14/27/56/185142756.db2.gz HWMUWNKJMLUMMR-MWLCHTKSSA-N 1 0 254.171 3.147 10 0 CGAERO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCOc2ccccc21 ZINC000126694770 187255837 /nfs/dbraw/zinc/25/58/37/187255837.db2.gz BADYIFLDTXLAMJ-CXAGYDPISA-N 1 0 283.371 3.437 10 0 CGAERO CCOc1cccc(CN2C[C@H](CC)[NH2+]C[C@H]2CC)c1 ZINC000083549625 178578358 /nfs/dbraw/zinc/57/83/58/178578358.db2.gz FYSFTLGNAGLXLI-JKSUJKDBSA-N 1 0 276.424 3.048 10 0 CGAERO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1csc2ccccc12 ZINC000295078798 199334759 /nfs/dbraw/zinc/33/47/59/199334759.db2.gz RSWITGXFRUNYKW-FZMZJTMJSA-N 1 0 261.390 3.247 10 0 CGAERO C[C@H](COCc1ccccc1)[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000623901022 349910588 /nfs/dbraw/zinc/91/05/88/349910588.db2.gz YCCYTBOWDHPFQM-VYDXJSESSA-N 1 0 277.408 3.139 10 0 CGAERO Oc1ccc2c(c1)O[C@@H](C[NH2+]C1CCCCC1)CC2 ZINC000013775954 344881042 /nfs/dbraw/zinc/88/10/42/344881042.db2.gz AFXVAXQMGUXVBX-OAHLLOKOSA-N 1 0 261.365 3.008 10 0 CGAERO CCCCCCc1ccc(C(=O)CC[N@H+](C)CCO)cc1 ZINC000014968922 344883008 /nfs/dbraw/zinc/88/30/08/344883008.db2.gz GWWLXQSKLVUJGE-UHFFFAOYSA-N 1 0 291.435 3.306 10 0 CGAERO COc1cc2c(cc1OC)CCC([NH+]1CCCC1)=C2 ZINC000039251512 344958711 /nfs/dbraw/zinc/95/87/11/344958711.db2.gz KXJHDZSTLKNBHD-UHFFFAOYSA-N 1 0 259.349 3.087 10 0 CGAERO C[NH2+][C@@H](c1ccoc1)c1ccc(Br)s1 ZINC000040236426 344961749 /nfs/dbraw/zinc/96/17/49/344961749.db2.gz NBALHDCPKGXYSA-JTQLQIEISA-N 1 0 272.167 3.412 10 0 CGAERO O[C@@](c1ccccc1)(c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000034347960 344939021 /nfs/dbraw/zinc/93/90/21/344939021.db2.gz GUCSIPANTMOANJ-SFHVURJKSA-N 1 0 285.362 3.061 10 0 CGAERO COc1ccccc1[C@H]1CCc2ccccc2[C@H]1[NH3+] ZINC000034523049 344940376 /nfs/dbraw/zinc/94/03/76/344940376.db2.gz LIXJYYJPQVTNOK-NVXWUHKLSA-N 1 0 253.345 3.425 10 0 CGAERO C[NH+](C)CCNc1ccc(Br)cc1Cl ZINC000036962780 344946095 /nfs/dbraw/zinc/94/60/95/344946095.db2.gz BKTPFKJVKDBZFH-UHFFFAOYSA-N 1 0 277.593 3.076 10 0 CGAERO CCCc1ccccc1NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000037018879 344946208 /nfs/dbraw/zinc/94/62/08/344946208.db2.gz ADUCZPWZPCGTSF-MRXNPFEDSA-N 1 0 282.387 3.148 10 0 CGAERO c1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cnc2ccccc2n1 ZINC000037229836 344948894 /nfs/dbraw/zinc/94/88/94/344948894.db2.gz WAWRRXOUHGTTLY-INIZCTEOSA-N 1 0 275.355 3.407 10 0 CGAERO COc1ccc(C[C@@H](C)[NH3+])c(OCc2ccccc2)c1 ZINC000042288310 344981977 /nfs/dbraw/zinc/98/19/77/344981977.db2.gz KVIRPUAOJRUSQM-CYBMUJFWSA-N 1 0 271.360 3.164 10 0 CGAERO CC[C@](C)([NH3+])Cc1ccc(F)cc1Br ZINC000053758132 345124923 /nfs/dbraw/zinc/12/49/23/345124923.db2.gz UCJSYVBXTUGEOH-NSHDSACASA-N 1 0 260.150 3.258 10 0 CGAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1cccc(C(F)(F)F)c1 ZINC000054290066 345131688 /nfs/dbraw/zinc/13/16/88/345131688.db2.gz UTUVFLJFWYGXEF-SNVBAGLBSA-N 1 0 286.297 3.034 10 0 CGAERO CC(C)(C)[C@@H](NC(=O)C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000054306916 345132578 /nfs/dbraw/zinc/13/25/78/345132578.db2.gz KSZZAACBTZUDEB-YOEHRIQHSA-N 1 0 288.435 3.280 10 0 CGAERO CC(C)C[C@H]([NH3+])[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000054929351 345140453 /nfs/dbraw/zinc/14/04/53/345140453.db2.gz YNOSRLHJWGAIAY-NWDGAFQWSA-N 1 0 262.180 3.400 10 0 CGAERO CCc1nc(NC[C@@H]2CCC[NH2+]C2)cc(-c2ccccc2)n1 ZINC000070456387 345391411 /nfs/dbraw/zinc/39/14/11/345391411.db2.gz YQFXNINCOFLOHM-CQSZACIVSA-N 1 0 296.418 3.118 10 0 CGAERO O=C(C[NH2+]C1CC1)Nc1ccc(C2CCCCC2)cc1 ZINC000076415429 345542263 /nfs/dbraw/zinc/54/22/63/345542263.db2.gz BHZDJYQZOGYZKP-UHFFFAOYSA-N 1 0 272.392 3.425 10 0 CGAERO CCCOc1ccc(NC(=O)[C@]2(C)CCC[NH2+]2)cc1Cl ZINC000079516237 345644441 /nfs/dbraw/zinc/64/44/41/345644441.db2.gz UDFNAVRBSNOKME-HNNXBMFYSA-N 1 0 296.798 3.209 10 0 CGAERO COc1cc([C@H](C)[NH2+][C@H](CC(C)C)CN(C)C)ccc1F ZINC000153576601 232214692 /nfs/dbraw/zinc/21/46/92/232214692.db2.gz CBRIFCBIOQJXKK-DZGCQCFKSA-N 1 0 296.430 3.461 10 0 CGAERO C[NH2+]C1(c2ccc(Cl)cc2)CCC2(CC1)OCCO2 ZINC000080732124 345685654 /nfs/dbraw/zinc/68/56/54/345685654.db2.gz XARHTLQPGNLFGU-UHFFFAOYSA-N 1 0 281.783 3.072 10 0 CGAERO CC[NH+](CC)[C@@H](C)CNc1ncnc2sc(C)cc21 ZINC000090070723 345780294 /nfs/dbraw/zinc/78/02/94/345780294.db2.gz MFIDLBAEMHBQRT-JTQLQIEISA-N 1 0 278.425 3.142 10 0 CGAERO Cc1csc(CC[NH2+]Cc2ccnc3ccccc23)n1 ZINC000111763483 345950960 /nfs/dbraw/zinc/95/09/60/345950960.db2.gz QRQXJSRYYJHCJO-UHFFFAOYSA-N 1 0 283.400 3.332 10 0 CGAERO CCCCCCOc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000116177200 345975680 /nfs/dbraw/zinc/97/56/80/345975680.db2.gz PKUVEGCXMITDDS-MRXNPFEDSA-N 1 0 263.381 3.307 10 0 CGAERO Nc1ccc([C@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000116483580 345977944 /nfs/dbraw/zinc/97/79/44/345977944.db2.gz ZAJJZKNBZLXIOI-HNNXBMFYSA-N 1 0 270.351 3.397 10 0 CGAERO Cc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccccc2C)cc1 ZINC000120520036 345998221 /nfs/dbraw/zinc/99/82/21/345998221.db2.gz AHQKGSGZJJOPRY-MRXNPFEDSA-N 1 0 296.414 3.270 10 0 CGAERO Cc1ccc([C@H]2C[NH2+][C@@H](C)C2)c(Br)c1 ZINC000129796195 346053045 /nfs/dbraw/zinc/05/30/45/346053045.db2.gz XFALPQRDEAHEQJ-VHSXEESVSA-N 1 0 254.171 3.223 10 0 CGAERO Cc1nnc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)o1 ZINC000176009076 232330633 /nfs/dbraw/zinc/33/06/33/232330633.db2.gz ZJCAKERRCJGPOD-DJHDEQBHSA-N 1 0 275.396 3.073 10 0 CGAERO [NH3+]C[C@H]1C[C@@H]1c1ccc(Br)cc1Cl ZINC000127342085 346031139 /nfs/dbraw/zinc/03/11/39/346031139.db2.gz ALISARQEVMGWNI-MUWHJKNJSA-N 1 0 260.562 3.165 10 0 CGAERO Cc1cc(C)c(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)cc1C ZINC000128349178 187365414 /nfs/dbraw/zinc/36/54/14/187365414.db2.gz XYHKPFSUGFSIMH-INIZCTEOSA-N 1 0 283.419 3.335 10 0 CGAERO C[NH+](C)CC1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000140857391 346106030 /nfs/dbraw/zinc/10/60/30/346106030.db2.gz LRYGUGMIZWPVFP-UHFFFAOYSA-N 1 0 280.415 3.269 10 0 CGAERO C[NH+](C)CC[C@H](c1ccc(F)cc1)c1ccccn1 ZINC000136982910 346092608 /nfs/dbraw/zinc/09/26/08/346092608.db2.gz MCBVPSXIUFWIOS-OAHLLOKOSA-N 1 0 258.340 3.304 10 0 CGAERO [NH3+][C@H](Cc1ccoc1)c1cc(Br)cs1 ZINC000131249454 346063958 /nfs/dbraw/zinc/06/39/58/346063958.db2.gz SGCJZNINRPJHNL-SECBINFHSA-N 1 0 272.167 3.346 10 0 CGAERO COC(=O)c1cccc(C[NH2+][C@H](C)c2ccccc2F)c1 ZINC000143524463 346114338 /nfs/dbraw/zinc/11/43/38/346114338.db2.gz ZESVIMGUBUANJQ-GFCCVEGCSA-N 1 0 287.334 3.463 10 0 CGAERO C[NH2+]C[C@@H]1Cc2cccc(-c3ccc(F)cc3F)c2O1 ZINC000146073716 346122453 /nfs/dbraw/zinc/12/24/53/346122453.db2.gz RMEISZIBLKKHOB-LBPRGKRZSA-N 1 0 275.298 3.155 10 0 CGAERO CCCC[NH2+]CCCCCNC(=O)OC(C)(C)C ZINC000149736734 346131595 /nfs/dbraw/zinc/13/15/95/346131595.db2.gz ZRFDYHLDIIJSLV-UHFFFAOYSA-N 1 0 258.406 3.071 10 0 CGAERO [NH3+]C1(c2cccc(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000149851437 346131780 /nfs/dbraw/zinc/13/17/80/346131780.db2.gz KQRYTIGGLKUVBJ-UHFFFAOYSA-N 1 0 284.378 3.276 10 0 CGAERO C[NH2+][C@H]1CCc2c1cc(Br)cc2Cl ZINC000160517039 346171667 /nfs/dbraw/zinc/17/16/67/346171667.db2.gz MCUGMCKIIPHOOH-JTQLQIEISA-N 1 0 260.562 3.309 10 0 CGAERO CC(C)(C)[C@@H]([NH3+])c1ccc(I)cc1 ZINC000162847261 346179833 /nfs/dbraw/zinc/17/98/33/346179833.db2.gz NFCKQLLGCCDTAY-JTQLQIEISA-N 1 0 289.160 3.337 10 0 CGAERO C[C@]1(c2sccc2Br)CC[C@H]([NH3+])C1 ZINC000166957677 346187509 /nfs/dbraw/zinc/18/75/09/346187509.db2.gz NRAICKVCNWYOFW-XVKPBYJWSA-N 1 0 260.200 3.280 10 0 CGAERO Cc1cccc(CN2Cc3ccccc3NC2=[NH2+])c1C ZINC000167147684 346188042 /nfs/dbraw/zinc/18/80/42/346188042.db2.gz GEXAUNPAGFPBJA-UHFFFAOYSA-N 1 0 265.360 3.265 10 0 CGAERO C[C@@H]([NH3+])Cc1ccc(N2CCCC[C@@H]2C)c(F)c1 ZINC000104261928 136526084 /nfs/dbraw/zinc/52/60/84/136526084.db2.gz PCUXGYOFQARIBC-NEPJUHHUSA-N 1 0 250.361 3.094 10 0 CGAERO CCCC1CC[NH+]([C@H](C)[C@H](O)c2ccc(O)cc2)CC1 ZINC000211016469 346285558 /nfs/dbraw/zinc/28/55/58/346285558.db2.gz DTKAPNGGIREIRO-DYVFJYSZSA-N 1 0 277.408 3.326 10 0 CGAERO [NH3+]Cc1cccc(C(O)(c2ccccc2)c2ccccc2)c1 ZINC000202664111 346280642 /nfs/dbraw/zinc/28/06/42/346280642.db2.gz UALVOAMMBBYLQK-UHFFFAOYSA-N 1 0 289.378 3.430 10 0 CGAERO COc1ccccc1N1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000202267298 346280741 /nfs/dbraw/zinc/28/07/41/346280741.db2.gz SIFBWQMIVKFLQO-JKSUJKDBSA-N 1 0 288.435 3.396 10 0 CGAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])[C@@H]1c1ccccc1Cl ZINC000219321905 346294785 /nfs/dbraw/zinc/29/47/85/346294785.db2.gz ZLSHUQFNBIRADS-OLZOCXBDSA-N 1 0 296.798 3.349 10 0 CGAERO O[C@@H]1CCCC[C@H]1[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000226063024 346305855 /nfs/dbraw/zinc/30/58/55/346305855.db2.gz IHMHIAOIVOWGNL-NXHRZFHOSA-N 1 0 282.387 3.064 10 0 CGAERO CC1(C)CS[C@@H](c2occc2Br)N1 ZINC000232804964 346328146 /nfs/dbraw/zinc/32/81/46/346328146.db2.gz FSFDANXGYRDSRP-QMMMGPOBSA-N 1 0 262.172 3.156 10 0 CGAERO CC[NH2+][C@H](C)c1c(F)ccc(Br)c1F ZINC000233578243 346329562 /nfs/dbraw/zinc/32/95/62/346329562.db2.gz QZAURCZPUQVDCQ-ZCFIWIBFSA-N 1 0 264.113 3.398 10 0 CGAERO [NH3+]C[C@@H]1C[C@H]1c1cc(Br)c(Cl)s1 ZINC000227955266 346311859 /nfs/dbraw/zinc/31/18/59/346311859.db2.gz NPHRJIVHBFJTTJ-CRCLSJGQSA-N 1 0 266.591 3.226 10 0 CGAERO [NH3+][C@H]1C[C@H]1c1cc(Br)c(Br)s1 ZINC000227932983 346312032 /nfs/dbraw/zinc/31/20/32/346312032.db2.gz JUVJTGVSMQQSFI-WUJLRWPWSA-N 1 0 297.015 3.088 10 0 CGAERO CC[C@H]([NH3+])c1cccc(C)c1I ZINC000229298016 346317031 /nfs/dbraw/zinc/31/70/31/346317031.db2.gz ZFBNGXOUAHRAMO-VIFPVBQESA-N 1 0 275.133 3.009 10 0 CGAERO C[NH2+][C@H](C)c1cc(F)c(F)cc1Br ZINC000238331236 346348950 /nfs/dbraw/zinc/34/89/50/346348950.db2.gz CCUZPGQKVLEPAF-RXMQYKEDSA-N 1 0 250.086 3.008 10 0 CGAERO [NH3+]C1(c2c(Cl)cccc2Br)CCC1 ZINC000238557321 346349833 /nfs/dbraw/zinc/34/98/33/346349833.db2.gz UGKZFXQIQZZIFH-UHFFFAOYSA-N 1 0 260.562 3.440 10 0 CGAERO Cc1sccc1[C@@H]([NH3+])c1ccoc1Br ZINC000235813065 346337664 /nfs/dbraw/zinc/33/76/64/346337664.db2.gz LDKPNMYQJBSQCE-SECBINFHSA-N 1 0 272.167 3.460 10 0 CGAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1sccc1Cl ZINC000248722922 346377867 /nfs/dbraw/zinc/37/78/67/346377867.db2.gz GVQFSXMHUYLTGC-MNOVXSKESA-N 1 0 270.829 3.070 10 0 CGAERO CCN1CCC[C@H]([NH2+][C@H]2CCCc3c(OC)cccc32)C1 ZINC000249528372 346382331 /nfs/dbraw/zinc/38/23/31/346382331.db2.gz JFFXEGLEKMVXOU-YOEHRIQHSA-N 1 0 288.435 3.147 10 0 CGAERO [NH3+][C@H]1CC[C@H](Nc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000257353193 346400037 /nfs/dbraw/zinc/40/00/37/346400037.db2.gz PURGEUPVZDECEM-KYZUINATSA-N 1 0 293.720 3.436 10 0 CGAERO Cc1ccc(F)cc1NC(=[NH2+])NCc1ccccc1 ZINC000306359187 346453293 /nfs/dbraw/zinc/45/32/93/346453293.db2.gz CSHKOEDEFLETFD-UHFFFAOYSA-N 1 0 257.312 3.271 10 0 CGAERO C[C@@H]1[N@H+](Cc2ccccc2)CC[C@@]12NCC[C@@H](C)S2 ZINC000306733326 346457340 /nfs/dbraw/zinc/45/73/40/346457340.db2.gz SYGUXDSCMPYFSG-YCPHGPKFSA-N 1 0 276.449 3.092 10 0 CGAERO [NH3+][C@@H]1CC[C@H]1c1c(Cl)cccc1Br ZINC000307272981 346461395 /nfs/dbraw/zinc/46/13/95/346461395.db2.gz HERXQPKIYXXXMS-HZGVNTEJSA-N 1 0 260.562 3.307 10 0 CGAERO C[NH2+]C1(C(=O)c2sccc2Br)CCCC1 ZINC000307461293 346462788 /nfs/dbraw/zinc/46/27/88/346462788.db2.gz HRBYCSWNEXGZHE-UHFFFAOYSA-N 1 0 288.210 3.226 10 0 CGAERO [NH3+]Cc1csc(-c2occc2Br)c1 ZINC000307716833 346464985 /nfs/dbraw/zinc/46/49/85/346464985.db2.gz LTNGROAUCJNASS-UHFFFAOYSA-N 1 0 258.140 3.229 10 0 CGAERO C[C@H]([NH2+]CC(C)(C)C(F)(F)F)c1cncs1 ZINC000309602529 346469395 /nfs/dbraw/zinc/46/93/95/346469395.db2.gz XZBOZMNHLFURNM-ZETCQYMHSA-N 1 0 252.305 3.382 10 0 CGAERO C[NH2+]C/C(C)=C\c1ccc(Br)cc1C ZINC000395387577 346578163 /nfs/dbraw/zinc/57/81/63/346578163.db2.gz WFPPZJVLICJOTJ-TWGQIWQCSA-N 1 0 254.171 3.380 10 0 CGAERO FC(F)(F)[C@H]1CCC[C@H]([NH2+]Cc2ccns2)C1 ZINC000404418048 346599321 /nfs/dbraw/zinc/59/93/21/346599321.db2.gz PTSAYSOALBAZPZ-IUCAKERBSA-N 1 0 264.316 3.354 10 0 CGAERO [NH3+][C@H](c1cnsc1)c1cscc1Br ZINC000404743670 346600859 /nfs/dbraw/zinc/60/08/59/346600859.db2.gz QTBZLCSJCBYJDK-MRVPVSSYSA-N 1 0 275.196 3.015 10 0 CGAERO C[NH2+]C[C@@H]1[C@H](c2ccc(Br)cc2)C1(F)F ZINC000409431524 346605337 /nfs/dbraw/zinc/60/53/37/346605337.db2.gz KIPZLUCINIPOFA-ZJUUUORDSA-N 1 0 276.124 3.017 10 0 CGAERO COc1ccc(-c2cc(-c3ccc(C[NH3+])cc3)no2)cc1 ZINC000584595232 346686991 /nfs/dbraw/zinc/68/69/91/346686991.db2.gz SVXJHRDXSHHNCN-UHFFFAOYSA-N 1 0 280.327 3.476 10 0 CGAERO C[NH2+]Cc1ccccc1[C@@H](O)c1cccc(Cl)c1 ZINC000584597034 346687754 /nfs/dbraw/zinc/68/77/54/346687754.db2.gz WLPYKFQDNUBVCK-HNNXBMFYSA-N 1 0 261.752 3.141 10 0 CGAERO C[NH+](C)[C@@]1(c2ccc(Cl)cc2)CC[C@](C)(O)CC1 ZINC000584601542 346689608 /nfs/dbraw/zinc/68/96/08/346689608.db2.gz XEJWVILHWCEKPO-SHTZXODSSA-N 1 0 267.800 3.422 10 0 CGAERO CCOc1ccc([C@@H](O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC000584617002 346693670 /nfs/dbraw/zinc/69/36/70/346693670.db2.gz HHBXLLDAOAPNJF-PBHICJAKSA-N 1 0 277.408 3.383 10 0 CGAERO COc1ccc2c(c1)[C@@](C)(CC[NH+](C)C)C(C)=CC2 ZINC000584620392 346695168 /nfs/dbraw/zinc/69/51/68/346695168.db2.gz GVQFCTDQSBNNNV-KRWDZBQOSA-N 1 0 259.393 3.407 10 0 CGAERO c1ccc(C(c2ccccc2)N2CC[C@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000584619821 346695230 /nfs/dbraw/zinc/69/52/30/346695230.db2.gz FIUPZOHHQMYFGS-APWZRJJASA-N 1 0 292.426 3.460 10 0 CGAERO Cn1cc([C@H]2CC[N@H+](Cc3cc(Cl)ccc3F)C2)cn1 ZINC000128493763 187374208 /nfs/dbraw/zinc/37/42/08/187374208.db2.gz JYMQMAITXFZJJE-NSHDSACASA-N 1 0 293.773 3.202 10 0 CGAERO COc1cncc(C[NH2+]C2C3CC4CC(C3)CC2C4)c1 ZINC000339389795 215139618 /nfs/dbraw/zinc/13/96/18/215139618.db2.gz BJPCYEDTYYIEIU-UHFFFAOYSA-N 1 0 272.392 3.005 10 0 CGAERO COc1cc(C)c(CCCC[NH2+]C2CC2)cc1OC ZINC000087730290 179478971 /nfs/dbraw/zinc/47/89/71/179478971.db2.gz KGKPPLQABXLSHA-UHFFFAOYSA-N 1 0 263.381 3.087 10 0 CGAERO CC(C)[N@@H+]1CCCOC[C@@H]1c1cccc2ncccc21 ZINC000616599626 348841154 /nfs/dbraw/zinc/84/11/54/348841154.db2.gz MKNLFIOPVRKKPF-QGZVFWFLSA-N 1 0 270.376 3.407 10 0 CGAERO CCOC(=O)c1ccccc1[C@H]1CCOCC[N@@H+]1C(C)C ZINC000616599606 348841407 /nfs/dbraw/zinc/84/14/07/348841407.db2.gz SLBLMIRDZQUDMG-MRXNPFEDSA-N 1 0 291.391 3.035 10 0 CGAERO CC(C)[N@@H+]1CCC[C@H](c2ccc(CCO)cc2)CC1 ZINC000616603037 348842215 /nfs/dbraw/zinc/84/22/15/348842215.db2.gz VHCLPJHNTGXPGC-INIZCTEOSA-N 1 0 261.409 3.199 10 0 CGAERO c1ccc(C[N@@H+]2CCCC[C@@H]2c2cccnn2)cc1 ZINC000616611341 348844721 /nfs/dbraw/zinc/84/47/21/348844721.db2.gz BBRSUTDLQMLJEI-MRXNPFEDSA-N 1 0 253.349 3.204 10 0 CGAERO CC(C)(C)OC(=O)NCC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000616612922 348845919 /nfs/dbraw/zinc/84/59/19/348845919.db2.gz APEFYXOBWGDTAL-LBPRGKRZSA-N 1 0 270.417 3.022 10 0 CGAERO CC[N@@H+]1CCCOC[C@H]1c1cc2ccccc2cn1 ZINC000616650017 348855664 /nfs/dbraw/zinc/85/56/64/348855664.db2.gz VEINAZISOFBLDE-INIZCTEOSA-N 1 0 256.349 3.018 10 0 CGAERO CNc1cccc([C@@H]2C[N@@H+](C(C)(C)C)CCCO2)c1 ZINC000616650386 348856925 /nfs/dbraw/zinc/85/69/25/348856925.db2.gz ZCUHWFPMCJVECL-HNNXBMFYSA-N 1 0 262.397 3.290 10 0 CGAERO CC(C)(C)[N@@H+]1CCOCC[C@@H]1c1cccc(F)c1 ZINC000616655933 348857938 /nfs/dbraw/zinc/85/79/38/348857938.db2.gz NBAMWRPTIBYXCK-CQSZACIVSA-N 1 0 251.345 3.388 10 0 CGAERO Nc1cccc([C@H]2CC[N@H+](Cc3ccccc3)CCO2)c1 ZINC000616662144 348858562 /nfs/dbraw/zinc/85/85/62/348858562.db2.gz CADCHPIKMUFFDY-GOSISDBHSA-N 1 0 282.387 3.232 10 0 CGAERO CC(C)[N@@H+]1CCOC[C@@H](c2cccc3ncccc32)C1 ZINC000616661641 348858968 /nfs/dbraw/zinc/85/89/68/348858968.db2.gz VTQXUZBOPICDBS-AWEZNQCLSA-N 1 0 270.376 3.059 10 0 CGAERO CC(C)(C)OC(=O)Nc1ccccc1[C@H]1CCOCC[NH2+]1 ZINC000616658883 348858984 /nfs/dbraw/zinc/85/89/84/348858984.db2.gz MAUSXJVKLXQAFE-CYBMUJFWSA-N 1 0 292.379 3.085 10 0 CGAERO CC(C)(C)[N@@H+]1CCOC[C@@H](c2cccc3cccnc32)C1 ZINC000616661795 348859079 /nfs/dbraw/zinc/85/90/79/348859079.db2.gz YFOKTXLTPUONQI-HNNXBMFYSA-N 1 0 284.403 3.449 10 0 CGAERO C[NH+](C)[C@H]1Cc2ccccc2N(Cc2ccccc2)C1 ZINC000616669116 348861210 /nfs/dbraw/zinc/86/12/10/348861210.db2.gz LGWIGSPIJWMNAL-KRWDZBQOSA-N 1 0 266.388 3.180 10 0 CGAERO [NH3+]CCN1CCc2ccccc2[C@@H]1c1ccc(Cl)cc1 ZINC000616678904 348864508 /nfs/dbraw/zinc/86/45/08/348864508.db2.gz ORPAFLPTDGHJCR-KRWDZBQOSA-N 1 0 286.806 3.246 10 0 CGAERO CC(C)[N@@H+]1CCO[C@H](c2ccc3cnccc3c2)CC1 ZINC000616686996 348868084 /nfs/dbraw/zinc/86/80/84/348868084.db2.gz OZEVHOUIDQAXGK-KRWDZBQOSA-N 1 0 270.376 3.407 10 0 CGAERO C[C@@H]([NH3+])[C@@H](Sc1ccncn1)c1ccc(Cl)s1 ZINC000104253135 185945074 /nfs/dbraw/zinc/94/50/74/185945074.db2.gz VLDBAPBELLFAMV-RDDDGLTNSA-N 1 0 285.825 3.372 10 0 CGAERO c1ccc(Sc2ccc(C[NH2+]C3CC3)cc2)nc1 ZINC000104298321 185958716 /nfs/dbraw/zinc/95/87/16/185958716.db2.gz HAOBBVRCQCRXJN-UHFFFAOYSA-N 1 0 256.374 3.485 10 0 CGAERO C[C@H]([NH3+])[C@H](Sc1cnccn1)c1ccc(Cl)cc1 ZINC000104349466 185978673 /nfs/dbraw/zinc/97/86/73/185978673.db2.gz MAHJYTSJNZIWLR-ZANVPECISA-N 1 0 279.796 3.311 10 0 CGAERO CC1(C[NH2+]CC(=O)Nc2cccc(Cl)c2)CCCC1 ZINC000104435012 186001728 /nfs/dbraw/zinc/00/17/28/186001728.db2.gz XTKHOGGSDQXDPB-UHFFFAOYSA-N 1 0 280.799 3.448 10 0 CGAERO COCCCS[C@@H](c1ccc(Cl)cc1)[C@H](C)[NH3+] ZINC000104439355 186002159 /nfs/dbraw/zinc/00/21/59/186002159.db2.gz ZFKMYNYHQVUKFO-GXFFZTMASA-N 1 0 273.829 3.498 10 0 CGAERO C[C@@H](C[C@@H]([NH3+])c1ccc2c(c1)CC(=O)N2)C(C)(C)C ZINC000104439175 186002620 /nfs/dbraw/zinc/00/26/20/186002620.db2.gz CTWVAKZDTUDLAM-GXFFZTMASA-N 1 0 260.381 3.253 10 0 CGAERO Cc1cccc2c1nc([C@@H](C)[NH3+])n2-c1ccccc1 ZINC000091692138 180228192 /nfs/dbraw/zinc/22/81/92/180228192.db2.gz MYQZEUGMWWNMNL-GFCCVEGCSA-N 1 0 251.333 3.354 10 0 CGAERO CCC[NH2+][C@H](C)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000110461239 186297627 /nfs/dbraw/zinc/29/76/27/186297627.db2.gz RGNRPQFORZFREG-SNVBAGLBSA-N 1 0 279.771 3.321 10 0 CGAERO CC[NH2+][C@H](CC)[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000110469761 186298231 /nfs/dbraw/zinc/29/82/31/186298231.db2.gz ICXNQJVUJFJIFK-DGCLKSJQSA-N 1 0 259.353 3.228 10 0 CGAERO Cc1nc(N[C@H]2CC[C@H](C[NH3+])CC2)ccc1Br ZINC000630556624 350852835 /nfs/dbraw/zinc/85/28/35/350852835.db2.gz JCSPBOYVVVETOD-XYPYZODXSA-N 1 0 298.228 3.082 10 0 CGAERO O=c1ccc(C[NH2+]CC2CCC(C(F)(F)F)CC2)c[nH]1 ZINC000631083084 350948588 /nfs/dbraw/zinc/94/85/88/350948588.db2.gz NFPJOSTZQDIMHX-UHFFFAOYSA-N 1 0 288.313 3.246 10 0 CGAERO C[C@@H](c1cccc(Br)c1)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631836964 351150469 /nfs/dbraw/zinc/15/04/69/351150469.db2.gz KQFBCCFQTNBWLN-MDZLAQPJSA-N 1 0 297.240 3.037 10 0 CGAERO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC2(CCC2)C1)c1ccccc1 ZINC000123076300 187069740 /nfs/dbraw/zinc/06/97/40/187069740.db2.gz UCZBMUCPPCAWMM-GJZGRUSLSA-N 1 0 286.419 3.128 10 0 CGAERO Clc1scc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c1Cl ZINC000367603415 234231874 /nfs/dbraw/zinc/23/18/74/234231874.db2.gz KYMJMJUBVDHYIF-PSVAKVPMSA-N 1 0 278.204 3.037 10 0 CGAERO CC[C@H](O)CC[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000168448581 188649734 /nfs/dbraw/zinc/64/97/34/188649734.db2.gz MYDVHLGGFOQZDH-HOCLYGCPSA-N 1 0 259.349 3.120 10 0 CGAERO CN1CC[C@@H](C[NH2+]CC2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245707478 283043178 /nfs/dbraw/zinc/04/31/78/283043178.db2.gz ONQHWNAHFWYVNW-XJKSGUPXSA-N 1 0 296.817 3.472 10 0 CGAERO C[C@@H]([NH2+]CCCC1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400363743 234946400 /nfs/dbraw/zinc/94/64/00/234946400.db2.gz QWFOCDMRDFPEDQ-HIFRSBDPSA-N 1 0 296.455 3.412 10 0 CGAERO COc1ccc(C)cc1C[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000328757261 202041797 /nfs/dbraw/zinc/04/17/97/202041797.db2.gz UXHYSJAHRRYFMP-HNNXBMFYSA-N 1 0 288.391 3.135 10 0 CGAERO Cc1noc(CC[NH2+]Cc2ccc(C(C)(C)C)cc2)n1 ZINC000105470490 138352349 /nfs/dbraw/zinc/35/23/49/138352349.db2.gz LWGYHETXMSEXIZ-UHFFFAOYSA-N 1 0 273.380 3.008 10 0 CGAERO Cn1ccnc1CC1CC[NH+](CCCc2ccccc2)CC1 ZINC000106164538 138353734 /nfs/dbraw/zinc/35/37/34/138353734.db2.gz XNZOTYUDECJOQE-UHFFFAOYSA-N 1 0 297.446 3.307 10 0 CGAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@@H]1CCCc2occc21 ZINC000123971973 138371668 /nfs/dbraw/zinc/37/16/68/138371668.db2.gz VGGJTPNQQGOVSV-DZGCQCFKSA-N 1 0 264.413 3.223 10 0 CGAERO CCc1ccc([C@@H](C)[NH2+]Cc2cn3cccnc3n2)cc1 ZINC000124027883 138372377 /nfs/dbraw/zinc/37/23/77/138372377.db2.gz IIKPMEPHTDPGAS-CYBMUJFWSA-N 1 0 280.375 3.143 10 0 CGAERO Fc1ccccc1C1=CC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000127462719 138389013 /nfs/dbraw/zinc/38/90/13/138389013.db2.gz DBDNEBQQUYAMFM-AWEZNQCLSA-N 1 0 261.340 3.094 10 0 CGAERO COCCC[N@@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000127691111 138390416 /nfs/dbraw/zinc/39/04/16/138390416.db2.gz XEUBJWWNGFIJIE-CYBMUJFWSA-N 1 0 282.453 3.482 10 0 CGAERO CCOCC[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000127789107 138390689 /nfs/dbraw/zinc/39/06/89/138390689.db2.gz BOPQFLDKQNEUEN-ZDUSSCGKSA-N 1 0 282.453 3.482 10 0 CGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc(C(F)F)c1 ZINC000177043623 189023405 /nfs/dbraw/zinc/02/34/05/189023405.db2.gz MBPKJVDWUZZORI-CQSZACIVSA-N 1 0 296.361 3.181 10 0 CGAERO C[C@@H]([NH2+][C@H](C)c1ccc(-n2cnnn2)cc1)c1cccs1 ZINC000178178949 189095396 /nfs/dbraw/zinc/09/53/96/189095396.db2.gz FEHKAQPBLVYGPA-VXGBXAGGSA-N 1 0 299.403 3.136 10 0 CGAERO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)c1cccs1 ZINC000178354770 189109744 /nfs/dbraw/zinc/10/97/44/189109744.db2.gz CNLLWMHHCSHDDU-ZBINZKHDSA-N 1 0 259.374 3.057 10 0 CGAERO CCCOc1ccc([C@H](C)[NH2+]CCn2cc(C)cn2)cc1 ZINC000179293462 189183710 /nfs/dbraw/zinc/18/37/10/189183710.db2.gz GTVIEXCPKJPHMF-HNNXBMFYSA-N 1 0 287.407 3.331 10 0 CGAERO C[C@H](COCc1ccccc1)[NH2+][C@@H](C)c1nccs1 ZINC000179436631 189194472 /nfs/dbraw/zinc/19/44/72/189194472.db2.gz XSHJJCQEWYEKFF-OLZOCXBDSA-N 1 0 276.405 3.399 10 0 CGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1cnn(C)c1)[C@H](C)C2 ZINC000180231146 189245131 /nfs/dbraw/zinc/24/51/31/189245131.db2.gz GYZCDTXASMDOGP-IIYDPXPESA-N 1 0 269.392 3.313 10 0 CGAERO CC(C)Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3ncnn3C2)cc1 ZINC000180579183 189263274 /nfs/dbraw/zinc/26/32/74/189263274.db2.gz KSQSPCJVZBCKKE-RHSMWYFYSA-N 1 0 298.434 3.142 10 0 CGAERO CC[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(Cl)s1 ZINC000180588802 189264122 /nfs/dbraw/zinc/26/41/22/189264122.db2.gz YZWRWYMERAUKEK-VHSXEESVSA-N 1 0 296.827 3.049 10 0 CGAERO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)c1cccs1)CC2 ZINC000180527889 189260538 /nfs/dbraw/zinc/26/05/38/189260538.db2.gz YDDKXYSZKNKAJE-RYUDHWBXSA-N 1 0 290.436 3.129 10 0 CGAERO CCN(C)C(=O)CC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000181501216 189298560 /nfs/dbraw/zinc/29/85/60/189298560.db2.gz ZETZCRMKNGFDII-AWEZNQCLSA-N 1 0 284.403 3.359 10 0 CGAERO C[C@@H]([NH2+]Cc1nnc(C2CC2)n1C)C(C)(C)c1ccccc1 ZINC000181770665 189305863 /nfs/dbraw/zinc/30/58/63/189305863.db2.gz KJJMIHNOSJTGGO-CYBMUJFWSA-N 1 0 298.434 3.148 10 0 CGAERO CCOC(=O)[C@@]1(C)CCN(c2cc(C)[nH+]c3ccccc32)C1 ZINC000301799361 201205300 /nfs/dbraw/zinc/20/53/00/201205300.db2.gz ZRDDQRSYSGDRAN-SFHVURJKSA-N 1 0 298.386 3.323 10 0 CGAERO Cc1cnc(NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)nc1C ZINC000301898969 201253531 /nfs/dbraw/zinc/25/35/31/201253531.db2.gz XMTSRXPGSJSOAO-BLLLJJGKSA-N 1 0 276.428 3.016 10 0 CGAERO COc1cc([C@H](C)[NH2+][C@@H]2C[C@@H]2C)ccc1OC(F)F ZINC000120445266 370768402 /nfs/dbraw/zinc/76/84/02/370768402.db2.gz ODNLSHTVYRPMKS-ATZCPNFKSA-N 1 0 271.307 3.356 10 0 CGAERO Cc1cnn(CC[NH2+][C@H](C)Cc2ccc(Cl)cc2)c1 ZINC000120565497 370781665 /nfs/dbraw/zinc/78/16/65/370781665.db2.gz AFRQSYJBTGEJPZ-CYBMUJFWSA-N 1 0 277.799 3.066 10 0 CGAERO Cc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2[NH3+])c1 ZINC000216007387 189699082 /nfs/dbraw/zinc/69/90/82/189699082.db2.gz BDZHOZSZEKCNMN-LSDHHAIUSA-N 1 0 290.407 3.047 10 0 CGAERO Cc1ccc([C@H](C)NC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)o1 ZINC000120667477 370789654 /nfs/dbraw/zinc/78/96/54/370789654.db2.gz ZDJMPSRUOXDTPE-UZGDPCLZSA-N 1 0 278.396 3.027 10 0 CGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cc(C)ccc2Cl)C1 ZINC000120768164 370798904 /nfs/dbraw/zinc/79/89/04/370798904.db2.gz UQZSRPWFHGZNBT-LBPRGKRZSA-N 1 0 295.814 3.254 10 0 CGAERO [NH3+]CCc1cccc(Oc2cc(-c3ccccc3)ncn2)c1 ZINC000011849485 368596961 /nfs/dbraw/zinc/59/69/61/368596961.db2.gz 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PXENQVREUGMFGO-CYBMUJFWSA-N 1 0 292.471 3.045 10 0 CGAERO COCCCC[N@@H+]1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000076390605 165112713 /nfs/dbraw/zinc/11/27/13/165112713.db2.gz JBQIGYXHACELQZ-HOCLYGCPSA-N 1 0 277.408 3.300 10 0 CGAERO COCCCC[N@@H+]1C[C@@H](c2ccc(OC)cc2)C[C@H]1C ZINC000076390598 165112973 /nfs/dbraw/zinc/11/29/73/165112973.db2.gz JBQIGYXHACELQZ-ZBFHGGJFSA-N 1 0 277.408 3.300 10 0 CGAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(Br)c1 ZINC000077205435 165114894 /nfs/dbraw/zinc/11/48/94/165114894.db2.gz GVAHRYOZEOKGQC-TZMCWYRMSA-N 1 0 298.224 3.090 10 0 CGAERO COCC[C@H](C)[NH2+]C1CC(c2ccccc2F)C1 ZINC000081708816 165165737 /nfs/dbraw/zinc/16/57/37/165165737.db2.gz YQKULNXJBYILBO-HIFPTAJRSA-N 1 0 251.345 3.086 10 0 CGAERO C[C@H](CO)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000083220134 165173846 /nfs/dbraw/zinc/17/38/46/165173846.db2.gz NRAUUWUXCHAESM-IUCAKERBSA-N 1 0 262.180 3.272 10 0 CGAERO C[C@@H]1CN(Cc2ccc3ccccc3c2)[C@H](C)C[NH2+]1 ZINC000086466946 165181671 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ZINC000091022901 165249961 /nfs/dbraw/zinc/24/99/61/165249961.db2.gz RAXXOYMQVURZCO-UHFFFAOYSA-N 1 0 282.391 3.038 10 0 CGAERO CN1CCO[C@@H](C[NH2+][C@H](CC(C)(C)C)c2ccccc2)C1 ZINC000091667773 165266315 /nfs/dbraw/zinc/26/63/15/165266315.db2.gz MNZPFTHYMNNCHM-DLBZAZTESA-N 1 0 290.451 3.084 10 0 CGAERO c1cc2c(cccc2C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)[nH]1 ZINC000091979417 165280037 /nfs/dbraw/zinc/28/00/37/165280037.db2.gz KKDVBLRUHNQHEZ-DLBZAZTESA-N 1 0 270.376 3.311 10 0 CGAERO C[C@@H]([NH2+]CC1CC(O)C1)c1ccc(OC(F)(F)F)cc1 ZINC000091524648 287108191 /nfs/dbraw/zinc/10/81/91/287108191.db2.gz HPQDXDOKZKSQEN-GRZMOONWSA-N 1 0 289.297 3.007 10 0 CGAERO CCC[C@@H](C(=O)Nc1cc(C)ccc1Cl)[NH+](C)C ZINC000092604244 165306551 /nfs/dbraw/zinc/30/65/51/165306551.db2.gz QXCDWRPKLGJVAQ-ZDUSSCGKSA-N 1 0 268.788 3.317 10 0 CGAERO Cc1csc([C@@H]2CCC[N@@H+](Cc3cccn3C)C2)n1 ZINC000092788379 165311620 /nfs/dbraw/zinc/31/16/20/165311620.db2.gz WDSPSQRGMNVNMO-CYBMUJFWSA-N 1 0 275.421 3.170 10 0 CGAERO c1cc(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)c[nH]1 ZINC000093016726 165319776 /nfs/dbraw/zinc/31/97/76/165319776.db2.gz RGTHTOFALDKFGK-KRWDZBQOSA-N 1 0 275.440 3.103 10 0 CGAERO Cc1ccc(C[N@H+]2C[C@@H]3CCCCN3C[C@@H]2C)s1 ZINC000094434349 165351118 /nfs/dbraw/zinc/35/11/18/165351118.db2.gz HFTJZXCPLACTOY-JSGCOSHPSA-N 1 0 264.438 3.115 10 0 CGAERO C[C@@H]([NH3+])c1ccc(NC(=O)Cc2cccc(F)c2F)cc1 ZINC000094712020 165390741 /nfs/dbraw/zinc/39/07/41/165390741.db2.gz FYIVTIAHUAKQGU-SNVBAGLBSA-N 1 0 290.313 3.166 10 0 CGAERO C[NH2+][C@@H]1CCCN(Cc2ccc(CC(C)C)cc2)C1 ZINC000094901293 165396541 /nfs/dbraw/zinc/39/65/41/165396541.db2.gz KCPXPKFLUCLFPX-QGZVFWFLSA-N 1 0 260.425 3.069 10 0 CGAERO CCCCC[C@H](C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)C(C)C ZINC000248578229 165776766 /nfs/dbraw/zinc/77/67/66/165776766.db2.gz DXSZERSHSYJDGW-VGWMRTNUSA-N 1 0 280.456 3.035 10 0 CGAERO CCOc1cc([C@@H]2CCC[NH2+]2)cc(OCC)c1OCC ZINC000003732387 169909299 /nfs/dbraw/zinc/90/92/99/169909299.db2.gz NMDAGHBVKQIYTE-ZDUSSCGKSA-N 1 0 279.380 3.307 10 0 CGAERO COc1ccc(CC[C@@H]([NH3+])c2ccc3c(c2)OCCO3)cc1 ZINC000005526992 170108437 /nfs/dbraw/zinc/10/84/37/170108437.db2.gz JPSCHJVAFJEQCX-MRXNPFEDSA-N 1 0 299.370 3.099 10 0 CGAERO CSCC[C@H]([NH3+])C(=O)Nc1cccc(Cl)c1Cl ZINC000011755092 170438464 /nfs/dbraw/zinc/43/84/64/170438464.db2.gz QOHZPGFHFQOKDY-QMMMGPOBSA-N 1 0 293.219 3.012 10 0 CGAERO C[NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000011892413 170455414 /nfs/dbraw/zinc/45/54/14/170455414.db2.gz OUJFSGKDUHDJBC-VIFPVBQESA-N 1 0 259.180 3.039 10 0 CGAERO [NH3+]Cc1ccccc1COc1ccc(Br)cc1 ZINC000011944974 170459652 /nfs/dbraw/zinc/45/96/52/170459652.db2.gz GSCJFZPCZWULFP-UHFFFAOYSA-N 1 0 292.176 3.487 10 0 CGAERO C[NH2+][C@H]1CCc2ccc(O)cc2[C@H]1c1ccccc1 ZINC000013675900 170576464 /nfs/dbraw/zinc/57/64/64/170576464.db2.gz ASZIYMJEJJHKDE-DLBZAZTESA-N 1 0 253.345 3.058 10 0 CGAERO COc1ccc([C@H]([NH3+])CN2c3ccccc3C[C@@H]2C)cc1 ZINC000019281801 170771779 /nfs/dbraw/zinc/77/17/79/170771779.db2.gz WVXNKJLIEATOTN-SUMWQHHRSA-N 1 0 282.387 3.146 10 0 CGAERO C[C@@H]1CCC[C@@H](NC(=O)C[C@@H]([NH3+])c2ccccc2)[C@@H]1C ZINC000019425919 170795122 /nfs/dbraw/zinc/79/51/22/170795122.db2.gz LTGAXPRRTMJCHR-RRCSTGOVSA-N 1 0 274.408 3.017 10 0 CGAERO Cc1ccc(NC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)c(C)c1 ZINC000019470517 170804367 /nfs/dbraw/zinc/80/43/67/170804367.db2.gz STOLWRWFYLNDJI-VNQPRFMTSA-N 1 0 272.392 3.163 10 0 CGAERO CCN(C(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)C1CCCCC1 ZINC000019809895 170878827 /nfs/dbraw/zinc/87/88/27/170878827.db2.gz AGBFBUSUAHBZCT-CWRNSKLLSA-N 1 0 278.440 3.088 10 0 CGAERO [NH3+][C@@H](c1ccc(F)cc1)c1ccc2c(c1)OCCCO2 ZINC000019967986 170950231 /nfs/dbraw/zinc/95/02/31/170950231.db2.gz TVWCXYNHEKIWEJ-INIZCTEOSA-N 1 0 273.307 3.035 10 0 CGAERO COc1cc([C@H]([NH3+])c2cc(F)ccc2F)ccc1C ZINC000019969532 170952471 /nfs/dbraw/zinc/95/24/71/170952471.db2.gz PANQLQIABCPABJ-HNNXBMFYSA-N 1 0 263.287 3.330 10 0 CGAERO Cc1cc([C@H](C)[NH2+][C@H]2CN3CCC2CC3)c(C)s1 ZINC000020091028 170989994 /nfs/dbraw/zinc/98/99/94/170989994.db2.gz AKZCQDMKYZBSNG-NHYWBVRUSA-N 1 0 264.438 3.110 10 0 CGAERO C[C@@H](N[C@H](C[NH+](C)C)c1ccccc1)c1ccco1 ZINC000020129372 171017123 /nfs/dbraw/zinc/01/71/23/171017123.db2.gz VVDZNLRSEOVBJR-UKRRQHHQSA-N 1 0 258.365 3.233 10 0 CGAERO CC1(C)CC(N[C@H]2CCOc3ccccc32)CC(C)(C)[NH2+]1 ZINC000020143433 171029291 /nfs/dbraw/zinc/02/92/91/171029291.db2.gz FAHNOYOXRVVJIM-HNNXBMFYSA-N 1 0 288.435 3.409 10 0 CGAERO CC(C)[C@H](CNCc1ccc(Cl)s1)[NH+](C)C ZINC000020145916 171031630 /nfs/dbraw/zinc/03/16/30/171031630.db2.gz LLPCABTVMXQWPH-NSHDSACASA-N 1 0 260.834 3.077 10 0 CGAERO [NH3+]Cc1sc(-c2ccncc2)nc1-c1ccccc1 ZINC000020184386 171047227 /nfs/dbraw/zinc/04/72/27/171047227.db2.gz WVJVXYLKIAXDRD-UHFFFAOYSA-N 1 0 267.357 3.331 10 0 CGAERO C=COCCC[NH2+]Cc1cc2c(cc1OCC)C[C@@H](C)O2 ZINC000020197008 171061427 /nfs/dbraw/zinc/06/14/27/171061427.db2.gz OHSUDULINGSVIY-CYBMUJFWSA-N 1 0 291.391 3.049 10 0 CGAERO c1ccc(-c2ccccc2OC[C@@H]2CCC[NH2+]2)cc1 ZINC000020221631 171083176 /nfs/dbraw/zinc/08/31/76/171083176.db2.gz LDHAFPFTXQOSDQ-HNNXBMFYSA-N 1 0 253.345 3.484 10 0 CGAERO Cc1ccc([C@@H](C[NH3+])N2CCc3ccccc3C2)cc1 ZINC000020225532 171087880 /nfs/dbraw/zinc/08/78/80/171087880.db2.gz YKEZEHSRCXOIJR-GOSISDBHSA-N 1 0 266.388 3.053 10 0 CGAERO CCOc1ccccc1[C@H](C[NH3+])N(C)CC(C)(C)C ZINC000020226165 171089591 /nfs/dbraw/zinc/08/95/91/171089591.db2.gz JKXRVQAKAKYQJM-AWEZNQCLSA-N 1 0 264.413 3.063 10 0 CGAERO CC(C)CC(=O)N(CC[NH3+])c1ccc(C(C)C)cc1 ZINC000020236385 171095895 /nfs/dbraw/zinc/09/58/95/171095895.db2.gz AFFHBTPVVTUXCJ-UHFFFAOYSA-N 1 0 262.397 3.148 10 0 CGAERO CN(CCC[NH3+])c1ccccc1Oc1ccccc1 ZINC000020239958 171097310 /nfs/dbraw/zinc/09/73/10/171097310.db2.gz ZVLKIQLXIWGTCS-UHFFFAOYSA-N 1 0 256.349 3.264 10 0 CGAERO N[C@@H]1c2ccccc2CC[C@H]1[NH+]1CCCCCCC1 ZINC000020265512 171122674 /nfs/dbraw/zinc/12/26/74/171122674.db2.gz KCVSIAIXOUHLRS-IAGOWNOFSA-N 1 0 258.409 3.267 10 0 CGAERO CC[NH+](CC)CC[C@@H](N)c1ccc(Br)cc1 ZINC000020273979 171131086 /nfs/dbraw/zinc/13/10/86/171131086.db2.gz JDZLDJWSYMSNAS-CYBMUJFWSA-N 1 0 285.229 3.181 10 0 CGAERO [NH3+]CCSCCOc1cccc(Cl)c1Cl ZINC000020399433 171181325 /nfs/dbraw/zinc/18/13/25/171181325.db2.gz JVGWWLKFMMYTJY-UHFFFAOYSA-N 1 0 266.193 3.064 10 0 CGAERO [NH3+]Cc1ccc(Oc2ccc(F)cc2F)c(F)c1 ZINC000020470155 171211833 /nfs/dbraw/zinc/21/18/33/171211833.db2.gz FLKNQFAOQADIJF-UHFFFAOYSA-N 1 0 253.223 3.355 10 0 CGAERO C[C@H]([NH3+])COc1c(Cl)cc(Cl)cc1Cl ZINC000020518791 171233106 /nfs/dbraw/zinc/23/31/06/171233106.db2.gz IRUDGLPWBQTUOJ-YFKPBYRVSA-N 1 0 254.544 3.373 10 0 CGAERO CCc1ccc([C@H](N)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000020556203 171249872 /nfs/dbraw/zinc/24/98/72/171249872.db2.gz CWJDDWMGJNOMJF-CKEIUWERSA-N 1 0 260.425 3.227 10 0 CGAERO CCCOc1ccc(C[NH2+]CCCCCO)cc1Cl ZINC000020925770 171280608 /nfs/dbraw/zinc/28/06/08/171280608.db2.gz PETNSFJFDZWNNJ-UHFFFAOYSA-N 1 0 285.815 3.381 10 0 CGAERO CCCOc1ccc(C[NH2+]C[C@@H]2CCCO2)cc1Cl ZINC000020925481 171280642 /nfs/dbraw/zinc/28/06/42/171280642.db2.gz MZYGAAKKRHIHET-ZDUSSCGKSA-N 1 0 283.799 3.397 10 0 CGAERO CCC(C)(C)[C@@H]1CC[C@H](N)[C@@H]([NH+]2CCCCC2)C1 ZINC000021011856 171287764 /nfs/dbraw/zinc/28/77/64/171287764.db2.gz MVTVUKANGSUAKD-ILXRZTDVSA-N 1 0 252.446 3.405 10 0 CGAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CC(C)(C)N1CCOCC1 ZINC000021813759 171331110 /nfs/dbraw/zinc/33/11/10/171331110.db2.gz BAACGLOTVCIXMU-CVEARBPZSA-N 1 0 296.499 3.292 10 0 CGAERO C[C@@H]1C[C@@H](C)C[NH+]([C@@H]2CCCc3ccccc3[C@@H]2N)C1 ZINC000021814003 171331283 /nfs/dbraw/zinc/33/12/83/171331283.db2.gz VOEIWIRKFWQLQP-DTDBQYNISA-N 1 0 272.436 3.369 10 0 CGAERO C[C@@H]1CCCCN1[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000022169814 171367550 /nfs/dbraw/zinc/36/75/50/171367550.db2.gz ITLKGDYEVJNFRK-RISCZKNCSA-N 1 0 297.240 3.323 10 0 CGAERO C[C@@H]([NH3+])c1ccccc1NC(=O)c1ccc(F)cc1F ZINC000022173561 171369446 /nfs/dbraw/zinc/36/94/46/171369446.db2.gz MPWQDNMDBNURCJ-SECBINFHSA-N 1 0 276.286 3.237 10 0 CGAERO CC(C)N(C)[C@H](C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000022175212 171369723 /nfs/dbraw/zinc/36/97/23/171369723.db2.gz NNAAMTBPOFERFG-GFCCVEGCSA-N 1 0 260.303 3.045 10 0 CGAERO Cc1ccccc1C(=O)Nc1cccc([C@@H](C)[NH3+])c1 ZINC000022213468 171374614 /nfs/dbraw/zinc/37/46/14/171374614.db2.gz VDONXNZKFZPJNK-GFCCVEGCSA-N 1 0 254.333 3.267 10 0 CGAERO C[C@H]1C[C@H]1c1ccc([C@@H](C[NH3+])N2CCCC[C@@H]2C)o1 ZINC000022223311 171379400 /nfs/dbraw/zinc/37/94/00/171379400.db2.gz HQHQPJSFLDSFMT-IGQOVBAYSA-N 1 0 262.397 3.277 10 0 CGAERO COc1cccc(OC[C@H]([NH3+])c2ccccc2C)c1 ZINC000022567175 171392248 /nfs/dbraw/zinc/39/22/48/171392248.db2.gz OZXSWAVVPSUHHH-INIZCTEOSA-N 1 0 257.333 3.082 10 0 CGAERO COc1ccc(Sc2ccc(C3=[NH+]CCN3)cc2)cc1 ZINC000026003758 171470160 /nfs/dbraw/zinc/47/01/60/171470160.db2.gz UENJDYCHPVSUDK-UHFFFAOYSA-N 1 0 284.384 3.196 10 0 CGAERO COc1ccc(C[NH2+]CC(C)C)cc1OC(C)C ZINC000032107245 171698707 /nfs/dbraw/zinc/69/87/07/171698707.db2.gz JRQXYCNAZCOBBA-UHFFFAOYSA-N 1 0 251.370 3.228 10 0 CGAERO CC[NH2+][C@@H](C)c1cc(F)ccc1Sc1nncs1 ZINC000034669014 171855987 /nfs/dbraw/zinc/85/59/87/171855987.db2.gz GPPJRDUFPQUENG-QMMMGPOBSA-N 1 0 283.397 3.499 10 0 CGAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(C)(C)C1CCCC1 ZINC000126381952 287263323 /nfs/dbraw/zinc/26/33/23/287263323.db2.gz OPEPHUOGDWAGFW-HNNXBMFYSA-N 1 0 280.456 3.146 10 0 CGAERO [NH3+]CC1(N2CCC[C@H]3CCCC[C@@H]32)CCCCC1 ZINC000035176758 172029874 /nfs/dbraw/zinc/02/98/74/172029874.db2.gz WCFBFWUOXGSSOK-CABCVRRESA-N 1 0 250.430 3.303 10 0 CGAERO [NH3+]CC1(N2CC[C@H]3CCCC[C@@H]3C2)CCCCC1 ZINC000035176762 172029938 /nfs/dbraw/zinc/02/99/38/172029938.db2.gz JNTCLIJQDQPVPB-HUUCEWRRSA-N 1 0 250.430 3.160 10 0 CGAERO [NH3+]CC1(N2CCC[C@@H]3CCCC[C@@H]32)CCCCC1 ZINC000035176759 172030096 /nfs/dbraw/zinc/03/00/96/172030096.db2.gz WCFBFWUOXGSSOK-GJZGRUSLSA-N 1 0 250.430 3.303 10 0 CGAERO O=C(Nc1ccc(C(F)(F)F)cc1Cl)[C@H]1CCC[NH2+]1 ZINC000035222692 172066112 /nfs/dbraw/zinc/06/61/12/172066112.db2.gz GRLDHGZXUYRRFD-SNVBAGLBSA-N 1 0 292.688 3.049 10 0 CGAERO Cc1nc2sccn2c1C[NH2+]Cc1cccc(F)c1 ZINC000035255565 172085242 /nfs/dbraw/zinc/08/52/42/172085242.db2.gz OTPKCPFBFXPWJX-UHFFFAOYSA-N 1 0 275.352 3.133 10 0 CGAERO CSCCC[NH2+][C@H]1CCCC[C@@H]1C(F)(F)F ZINC000035258233 172089201 /nfs/dbraw/zinc/08/92/01/172089201.db2.gz GTTJDXFYSWCMMZ-UWVGGRQHSA-N 1 0 255.349 3.450 10 0 CGAERO CCOc1ccc([C@H]([NH3+])c2ccoc2)cc1OCC ZINC000035379828 172162539 /nfs/dbraw/zinc/16/25/39/172162539.db2.gz UTCOQPBMACTFHE-HNNXBMFYSA-N 1 0 261.321 3.125 10 0 CGAERO Cc1ccc([C@H]([NH3+])c2ccc3c(c2)OCCCO3)s1 ZINC000035379888 172162822 /nfs/dbraw/zinc/16/28/22/172162822.db2.gz OFSFIQCSSFVTSX-OAHLLOKOSA-N 1 0 275.373 3.266 10 0 CGAERO COc1ccc([C@H]([NH3+])c2ccc(Br)o2)c(C)c1 ZINC000035381205 172163454 /nfs/dbraw/zinc/16/34/54/172163454.db2.gz WDTZEWFTDJWSEL-ZDUSSCGKSA-N 1 0 296.164 3.407 10 0 CGAERO COc1ccc([C@@H]([NH3+])c2ccc(C)s2)cc1F ZINC000035424410 172192442 /nfs/dbraw/zinc/19/24/42/172192442.db2.gz ZUSJPAAXMPCCLU-CYBMUJFWSA-N 1 0 251.326 3.252 10 0 CGAERO C[NH2+][C@@H](C)c1cc(Cl)cc(Br)c1OC ZINC000035458136 172207850 /nfs/dbraw/zinc/20/78/50/172207850.db2.gz FOEFEPQGFFHPLS-LURJTMIESA-N 1 0 278.577 3.392 10 0 CGAERO C[NH2+][C@H](C)c1cc(Br)ccc1Br ZINC000035467178 172216306 /nfs/dbraw/zinc/21/63/06/172216306.db2.gz HCFYITASQGJPPV-ZCFIWIBFSA-N 1 0 293.002 3.492 10 0 CGAERO C[NH2+][C@@H](c1cc(C)oc1C)c1ccc(F)c(F)c1 ZINC000035494160 172227831 /nfs/dbraw/zinc/22/78/31/172227831.db2.gz SYXXIINAMPCQLS-CQSZACIVSA-N 1 0 251.276 3.483 10 0 CGAERO CC[NH2+][C@H](c1cnn(C)c1)c1ccc(Cl)c(Cl)c1 ZINC000035555930 172261530 /nfs/dbraw/zinc/26/15/30/172261530.db2.gz FJGHTYIXGJQOCT-ZDUSSCGKSA-N 1 0 284.190 3.426 10 0 CGAERO CCC[NH2+][C@@H](c1cc(F)ccc1F)[C@H]1CCCO1 ZINC000035580303 172276257 /nfs/dbraw/zinc/27/62/57/172276257.db2.gz NILNWONGEGAULY-KGLIPLIRSA-N 1 0 255.308 3.185 10 0 CGAERO CCC[NH2+][C@H](c1cnn(C)c1)c1ccc(CC)cc1 ZINC000035584196 172283610 /nfs/dbraw/zinc/28/36/10/172283610.db2.gz PPKUIGMLHHIWLS-INIZCTEOSA-N 1 0 257.381 3.072 10 0 CGAERO Cc1ccc([C@H]([NH2+][C@@H](C)CO)c2ccccc2)c(C)c1 ZINC000035602759 172291138 /nfs/dbraw/zinc/29/11/38/172291138.db2.gz RESFRMGNNWUUJO-MAUKXSAKSA-N 1 0 269.388 3.363 10 0 CGAERO CC[NH2+]Cc1cc(F)ccc1N(C)Cc1ccco1 ZINC000035716329 172370058 /nfs/dbraw/zinc/37/00/58/172370058.db2.gz WKMFHHSARWTIFF-UHFFFAOYSA-N 1 0 262.328 3.165 10 0 CGAERO CN(Cc1cccs1)[C@@H](C[NH3+])c1ccc(F)c(F)c1 ZINC000035716969 172371086 /nfs/dbraw/zinc/37/10/86/172371086.db2.gz FPMBJDNSUDGEEK-AWEZNQCLSA-N 1 0 282.359 3.158 10 0 CGAERO [NH3+]Cc1ccc(Sc2nc3ccccc3[nH]2)cc1 ZINC000035720122 172374747 /nfs/dbraw/zinc/37/47/47/172374747.db2.gz JTHTYYUKHQKEOR-UHFFFAOYSA-N 1 0 255.346 3.173 10 0 CGAERO CCC[C@@H]1CC[C@H](C[NH3+])[C@H](Sc2ncccn2)C1 ZINC000035722217 172377832 /nfs/dbraw/zinc/37/78/32/172377832.db2.gz GBOBYMAEKAJRLH-JHJVBQTASA-N 1 0 265.426 3.112 10 0 CGAERO CCC[C@@H]1CC[C@@H](C[NH3+])[C@H](Sc2nccn2C)C1 ZINC000035722656 172378307 /nfs/dbraw/zinc/37/83/07/172378307.db2.gz CRZNWCWDIHLITM-FRRDWIJNSA-N 1 0 267.442 3.056 10 0 CGAERO C[C@H]1C[C@H](C)C[NH+](CCCOc2ccccc2N)C1 ZINC000036985739 172851733 /nfs/dbraw/zinc/85/17/33/172851733.db2.gz IKKVGCGIXMQLQZ-KBPBESRZSA-N 1 0 262.397 3.016 10 0 CGAERO [NH3+]Cc1ccc(Cn2ccc3ccccc32)c(F)c1 ZINC000037011651 172870427 /nfs/dbraw/zinc/87/04/27/172870427.db2.gz LUAYPHRYLAGCMY-UHFFFAOYSA-N 1 0 254.308 3.287 10 0 CGAERO CC[C@@H](C)CN(C)c1nc2ccccc2cc1C[NH3+] ZINC000037173824 173007593 /nfs/dbraw/zinc/00/75/93/173007593.db2.gz QDNJAXYHVVOOJV-GFCCVEGCSA-N 1 0 257.381 3.176 10 0 CGAERO Brc1ccc2sc([C@@H]3CCC[NH2+]3)nc2c1 ZINC000037205892 173027316 /nfs/dbraw/zinc/02/73/16/173027316.db2.gz KQWYLXVZNHFSAO-QMMMGPOBSA-N 1 0 283.194 3.483 10 0 CGAERO CC[NH+]1CCC([C@@H](C)Nc2ccc(F)cc2F)CC1 ZINC000037210106 173031393 /nfs/dbraw/zinc/03/13/93/173031393.db2.gz CXQWIZRQKPKAFF-LLVKDONJSA-N 1 0 268.351 3.497 10 0 CGAERO CCN(Cc1ccccc1)c1ccc(F)cc1C[NH3+] ZINC000037236533 173054590 /nfs/dbraw/zinc/05/45/90/173054590.db2.gz CAWSJZPISCRHPQ-UHFFFAOYSA-N 1 0 258.340 3.311 10 0 CGAERO C=COCCC[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000037239119 173056388 /nfs/dbraw/zinc/05/63/88/173056388.db2.gz WFTCMSZBAJTEFA-CQSZACIVSA-N 1 0 263.381 3.156 10 0 CGAERO CSCc1ccc(CNC[C@@H](CC(C)C)[NH+](C)C)o1 ZINC000037241032 173057515 /nfs/dbraw/zinc/05/75/15/173057515.db2.gz ALVOXBMUGWCJJN-CYBMUJFWSA-N 1 0 284.469 3.209 10 0 CGAERO CCCc1ccc(NC(=O)[C@H]2CCC[C@@H](C)[NH2+]2)cc1 ZINC000037287551 173093784 /nfs/dbraw/zinc/09/37/84/173093784.db2.gz DQGFIPOZIOFORM-IUODEOHRSA-N 1 0 260.381 3.108 10 0 CGAERO c1ccc(C[N@@H+]2CCC[C@H](Nc3cccnc3)C2)cc1 ZINC000037325806 173126610 /nfs/dbraw/zinc/12/66/10/173126610.db2.gz RDCHZSOXGHECMY-KRWDZBQOSA-N 1 0 267.376 3.158 10 0 CGAERO NC(=[NH2+])c1ccc(Sc2ccc3c(c2)CCC3)nc1 ZINC000037333108 173134137 /nfs/dbraw/zinc/13/41/37/173134137.db2.gz MKHPMEGEVNONRX-UHFFFAOYSA-N 1 0 269.373 3.006 10 0 CGAERO CC(C)[NH2+]CCC(=O)Nc1ccc(Cl)cc1Cl ZINC000037396191 173176753 /nfs/dbraw/zinc/17/67/53/173176753.db2.gz YYNLRTYNDKTEFG-UHFFFAOYSA-N 1 0 275.179 3.320 10 0 CGAERO Clc1ccc2c(c1)nc([C@@H]1CCC[NH2+]1)n2C1CC1 ZINC000037440836 173210151 /nfs/dbraw/zinc/21/01/51/173210151.db2.gz RQIIQIIFFBBTDG-NSHDSACASA-N 1 0 261.756 3.449 10 0 CGAERO CC(C)n1c(CCC[NH3+])nc2cccc(Cl)c21 ZINC000037444317 173212277 /nfs/dbraw/zinc/21/22/77/173212277.db2.gz WCNUOCCWDOQOMU-UHFFFAOYSA-N 1 0 251.761 3.162 10 0 CGAERO COc1cccc([C@@](C)([NH3+])Cc2ccccc2C)c1 ZINC000037531520 173253362 /nfs/dbraw/zinc/25/33/62/173253362.db2.gz WYJXPBQHCICDOA-KRWDZBQOSA-N 1 0 255.361 3.420 10 0 CGAERO CC[C@H]([NH3+])Cc1cc(OC)ccc1O[C@@H](C)CC ZINC000037722765 173641311 /nfs/dbraw/zinc/64/13/11/173641311.db2.gz YTJRRHGLNSFHOU-AAEUAGOBSA-N 1 0 251.370 3.152 10 0 CGAERO CC[C@H]([NH3+])Cc1cccc(OC)c1OC/C=C/Cl ZINC000037727832 173646618 /nfs/dbraw/zinc/64/66/18/173646618.db2.gz NGDKTGJUXLHAGQ-ZCRIDZFUSA-N 1 0 269.772 3.106 10 0 CGAERO [NH3+]CCCOc1ccc2ccccc2c1Br ZINC000037981878 173942526 /nfs/dbraw/zinc/94/25/26/173942526.db2.gz DAGSXTOENCAIBT-UHFFFAOYSA-N 1 0 280.165 3.330 10 0 CGAERO Cc1cc(NC[C@@H](C)[NH+]2CCCCC2)nc(C(C)C)n1 ZINC000038029280 174019787 /nfs/dbraw/zinc/01/97/87/174019787.db2.gz JGTXMPULHDPENH-CQSZACIVSA-N 1 0 276.428 3.195 10 0 CGAERO CC(C)[C@@H]([NH2+]C[C@@H]1CCCOC1)c1cccs1 ZINC000038044921 174052873 /nfs/dbraw/zinc/05/28/73/174052873.db2.gz COJKCIFNILBRSO-GXTWGEPZSA-N 1 0 253.411 3.461 10 0 CGAERO C[NH2+]Cc1ccc(-c2cc(F)cc(F)c2)cc1F ZINC000038070262 174081677 /nfs/dbraw/zinc/08/16/77/174081677.db2.gz SUZCDJITLBBHCI-UHFFFAOYSA-N 1 0 251.251 3.490 10 0 CGAERO C[NH2+]Cc1ccc(-c2ccc3c(c2)CCO3)cc1F ZINC000038072982 174083527 /nfs/dbraw/zinc/08/35/27/174083527.db2.gz UOCIQMJZCYASIS-UHFFFAOYSA-N 1 0 257.308 3.147 10 0 CGAERO CCCCC1CCC(C(=O)N[C@](C)(C[NH3+])C(C)C)CC1 ZINC000127459220 287288428 /nfs/dbraw/zinc/28/84/28/287288428.db2.gz JSDDXUHSIAQGCP-VMBOVVBDSA-N 1 0 282.472 3.473 10 0 CGAERO CC[NH2+][C@H](CCOC)Cc1cccc2ccccc21 ZINC000038131918 174132603 /nfs/dbraw/zinc/13/26/03/174132603.db2.gz QSOHSFCAVKRIBH-MRXNPFEDSA-N 1 0 257.377 3.397 10 0 CGAERO CCC[NH2+][C@H](CCOCC)Cc1cccc(F)c1 ZINC000038135568 174132899 /nfs/dbraw/zinc/13/28/99/174132899.db2.gz IKXBYUSDHYAETK-OAHLLOKOSA-N 1 0 253.361 3.163 10 0 CGAERO COc1ccc(Cl)c2c1CC[C@H](C[NH+]1CCCC1)C2=O ZINC000039212495 174166156 /nfs/dbraw/zinc/16/61/56/174166156.db2.gz NKSVGKBNIVHTLI-LLVKDONJSA-N 1 0 293.794 3.190 10 0 CGAERO CCc1cc2c(n1Cc1ccccc1)CCC[C@H]2[NH3+] ZINC000039947718 174176665 /nfs/dbraw/zinc/17/66/65/174176665.db2.gz YKSIIWSUAWYPRB-MRXNPFEDSA-N 1 0 254.377 3.435 10 0 CGAERO Cc1cc(C(=O)NCC[NH2+]C2CCCCCC2)ccc1F ZINC000127489605 287288913 /nfs/dbraw/zinc/28/89/13/287288913.db2.gz FTINRCBEQKHBIZ-UHFFFAOYSA-N 1 0 292.398 3.176 10 0 CGAERO Cc1ccc(C[NH2+]C[C@@H](C)N2CCC(C)CC2)cc1 ZINC000040165705 174197368 /nfs/dbraw/zinc/19/73/68/174197368.db2.gz WANQHRRBIXMJNX-MRXNPFEDSA-N 1 0 260.425 3.205 10 0 CGAERO CCOCCCn1c2ccc(Cl)cc2nc1CCC[NH3+] ZINC000040403497 174253793 /nfs/dbraw/zinc/25/37/93/174253793.db2.gz UELVUTQXIPYKGB-UHFFFAOYSA-N 1 0 295.814 3.008 10 0 CGAERO C[NH2+]Cc1nc2ccc(Cl)cc2n1Cc1ccccc1 ZINC000040417892 174256341 /nfs/dbraw/zinc/25/63/41/174256341.db2.gz FJWHYPWZNZOXFQ-UHFFFAOYSA-N 1 0 285.778 3.457 10 0 CGAERO Nc1c(Nc2cc[nH+]cc2)ncnc1Nc1ccccc1F ZINC000040687569 174375730 /nfs/dbraw/zinc/37/57/30/174375730.db2.gz MBASHXHEFRPCDN-UHFFFAOYSA-N 1 0 296.309 3.080 10 0 CGAERO Cc1c(C[NH2+]C(C)C)cnn1-c1cccc(Cl)c1 ZINC000042355418 174693962 /nfs/dbraw/zinc/69/39/62/174693962.db2.gz IQYBQAXZPORAJU-UHFFFAOYSA-N 1 0 263.772 3.332 10 0 CGAERO CC[C@@H]([NH2+]C[C@H](O)c1ccc(F)c(F)c1)C(C)C ZINC000042588592 174810226 /nfs/dbraw/zinc/81/02/26/174810226.db2.gz COPFVZJYQYQNCF-KGLIPLIRSA-N 1 0 257.324 3.022 10 0 CGAERO CC(C)[NH2+]CCN(C)Cc1c(Cl)cccc1Cl ZINC000042691129 174838983 /nfs/dbraw/zinc/83/89/83/174838983.db2.gz HIGMMTNIEMCBLR-UHFFFAOYSA-N 1 0 275.223 3.423 10 0 CGAERO COc1ccccc1S[C@@H](C[NH3+])c1ccccc1 ZINC000042900578 174905468 /nfs/dbraw/zinc/90/54/68/174905468.db2.gz QWKUSJLDHBAQEK-HNNXBMFYSA-N 1 0 259.374 3.487 10 0 CGAERO C[C@@H]([NH3+])[C@H](Oc1cccc(F)c1)c1ccc(F)cc1 ZINC000042916374 174916287 /nfs/dbraw/zinc/91/62/87/174916287.db2.gz PSRIPHRFMQMVRB-BMIGLBTASA-N 1 0 263.287 3.432 10 0 CGAERO CC[C@H]([NH3+])[C@H](OC1CCOCC1)c1ccc(Cl)cc1 ZINC000042949814 174923345 /nfs/dbraw/zinc/92/33/45/174923345.db2.gz ZTHQQYDNOLRHLT-LSDHHAIUSA-N 1 0 283.799 3.314 10 0 CGAERO CCCCO[C@H](c1ccc(OC)cc1)[C@H]([NH3+])CC ZINC000042963907 174928358 /nfs/dbraw/zinc/92/83/58/174928358.db2.gz ZTQARFPRIFDSSD-HUUCEWRRSA-N 1 0 251.370 3.290 10 0 CGAERO C[C@H]([NH3+])[C@@H](c1cccc(Cl)c1)N(C)Cc1ccoc1 ZINC000043015229 174941970 /nfs/dbraw/zinc/94/19/70/174941970.db2.gz OOEIJMQJTXJLSX-NHYWBVRUSA-N 1 0 278.783 3.453 10 0 CGAERO COc1cccc([C@H](OCc2cccs2)[C@H](C)[NH3+])c1 ZINC000043031400 174948724 /nfs/dbraw/zinc/94/87/24/174948724.db2.gz MTSMHLNMJDXDAA-XHDPSFHLSA-N 1 0 277.389 3.362 10 0 CGAERO CCCCCO[C@H](c1cccc(OC)c1)[C@@H](C)[NH3+] ZINC000043031067 174948892 /nfs/dbraw/zinc/94/88/92/174948892.db2.gz DROAMAATSONFDA-DOMZBBRYSA-N 1 0 251.370 3.290 10 0 CGAERO CC[C@@H]([NH3+])[C@H](Sc1ncccn1)c1ccccc1C ZINC000043041222 174953754 /nfs/dbraw/zinc/95/37/54/174953754.db2.gz MGQDOBBSCHNEJB-ZIAGYGMSSA-N 1 0 273.405 3.356 10 0 CGAERO Cc1nnc(S[C@H](c2ccccc2C)[C@@H](C)[NH3+])s1 ZINC000043041792 174953836 /nfs/dbraw/zinc/95/38/36/174953836.db2.gz HTVDZLQCANPJNR-SKDRFNHKSA-N 1 0 279.434 3.336 10 0 CGAERO CC[C@H]([NH3+])[C@@H](c1ccccc1Br)N(C)C1CC1 ZINC000043091222 174964127 /nfs/dbraw/zinc/96/41/27/174964127.db2.gz IXOKZDSHCRYOAA-UONOGXRCSA-N 1 0 297.240 3.322 10 0 CGAERO CCCOc1ccc([C@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000044114942 175141694 /nfs/dbraw/zinc/14/16/94/175141694.db2.gz FLSMCNZYFCIPSU-QGZVFWFLSA-N 1 0 277.408 3.241 10 0 CGAERO Cc1ccc([C@H](O)C[N@@H+](C)Cc2ccccc2)c(C)c1 ZINC000044123438 175143150 /nfs/dbraw/zinc/14/31/50/175143150.db2.gz HGVAKSFECOPCJT-GOSISDBHSA-N 1 0 269.388 3.469 10 0 CGAERO CCC[NH2+][C@@H]1CCCc2cc(OCCOC)ccc21 ZINC000044745767 175241819 /nfs/dbraw/zinc/24/18/19/175241819.db2.gz NQPKQVPPVDIGAI-MRXNPFEDSA-N 1 0 263.381 3.089 10 0 CGAERO CCC[C@H](C)[C@@H]1CCC[N@@H+]1C[C@H](O)COC(C)(C)C ZINC000127974883 287300153 /nfs/dbraw/zinc/30/01/53/287300153.db2.gz FQLHYQSBWARVHA-KKUMJFAQSA-N 1 0 271.445 3.063 10 0 CGAERO CC(C)[NH2+]Cc1ccnc(-c2ccc(Cl)cc2)n1 ZINC000045206133 175327793 /nfs/dbraw/zinc/32/77/93/175327793.db2.gz FLHPLSDSGBZIFS-UHFFFAOYSA-N 1 0 261.756 3.295 10 0 CGAERO Cn1cc(C[NH2+]Cc2ccccc2)c2ccccc21 ZINC000045944964 175387565 /nfs/dbraw/zinc/38/75/65/175387565.db2.gz IQFAMQRCCOXLHT-UHFFFAOYSA-N 1 0 250.345 3.468 10 0 CGAERO CCOc1ccc(C[NH2+]CCCOc2ccccn2)cc1 ZINC000057353373 175594516 /nfs/dbraw/zinc/59/45/16/175594516.db2.gz MUGACFBWILNRMB-UHFFFAOYSA-N 1 0 286.375 3.039 10 0 CGAERO O[C@]12CCCC[C@@H]1C[N@H+](C/C=C/c1ccccc1)CC2 ZINC000128535309 287313070 /nfs/dbraw/zinc/31/30/70/287313070.db2.gz ZTAFFGHFLURQDO-LJFWHQRKSA-N 1 0 271.404 3.327 10 0 CGAERO CC(C)[C@H](NC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1cccs1 ZINC000070575175 175990526 /nfs/dbraw/zinc/99/05/26/175990526.db2.gz DVXQQIMXYULHQI-OBJOEFQTSA-N 1 0 280.437 3.079 10 0 CGAERO CC[C@H]1[NH2+]CCc2c(OC)ccc(Br)c21 ZINC000070821274 176007616 /nfs/dbraw/zinc/00/76/16/176007616.db2.gz YRRDGIAWPCLWLK-SNVBAGLBSA-N 1 0 270.170 3.055 10 0 CGAERO C[C@H](Cc1ccc(F)cc1)NC1=[NH+]C[C@@H](C2CC2)S1 ZINC000071308109 176116275 /nfs/dbraw/zinc/11/62/75/176116275.db2.gz XTRIULMLZHPRIY-YGRLFVJLSA-N 1 0 278.396 3.228 10 0 CGAERO C[C@@H](c1cc(Cl)ccc1Cl)N(C)[C@@H]1CC[NH2+]C1 ZINC000071309589 176116760 /nfs/dbraw/zinc/11/67/60/176116760.db2.gz WTOIXEJMNRUWQZ-GXSJLCMTSA-N 1 0 273.207 3.348 10 0 CGAERO C[C@H](c1ccc(C(C)(C)C)cc1)N(C)[C@@H]1CC[NH2+]C1 ZINC000071309328 176116855 /nfs/dbraw/zinc/11/68/55/176116855.db2.gz YWGIVCLKRQQLLK-CZUORRHYSA-N 1 0 260.425 3.339 10 0 CGAERO CC(C)(C)c1cc(C(C)(C)C)nc([C@H]2CCC[NH2+]2)n1 ZINC000071396767 176150474 /nfs/dbraw/zinc/15/04/74/176150474.db2.gz LYQLDBGAVQZBHF-LLVKDONJSA-N 1 0 261.413 3.496 10 0 CGAERO Cc1ccc(C2([NH3+])CCCC2)c(Br)c1 ZINC000071575429 176202888 /nfs/dbraw/zinc/20/28/88/176202888.db2.gz USBROTLPUFRMBV-UHFFFAOYSA-N 1 0 254.171 3.486 10 0 CGAERO COc1ccccc1Oc1ccc(CCC[NH3+])cc1 ZINC000071582391 176207061 /nfs/dbraw/zinc/20/70/61/176207061.db2.gz BUYUASZQQOMXCX-UHFFFAOYSA-N 1 0 257.333 3.379 10 0 CGAERO COc1cccc(Oc2ccc(CCC[NH3+])cc2)c1 ZINC000071582393 176207101 /nfs/dbraw/zinc/20/71/01/176207101.db2.gz PEYWCHWKRHZWPV-UHFFFAOYSA-N 1 0 257.333 3.379 10 0 CGAERO CC(C)Cc1ccc([C@@H](C[NH3+])N2CCCCC2)cc1 ZINC000071587084 176214559 /nfs/dbraw/zinc/21/45/59/176214559.db2.gz AAXPYITUOPZLPH-QGZVFWFLSA-N 1 0 260.425 3.371 10 0 CGAERO COc1ccc(C(C)C)cc1[C@@H](O)[C@H](C)[NH2+]C(C)C ZINC000071597980 176221656 /nfs/dbraw/zinc/22/16/56/176221656.db2.gz OPRRYPROXOLXBL-LRDDRELGSA-N 1 0 265.397 3.239 10 0 CGAERO CC[NH2+][C@@H](C(=O)c1ccc(OC)c(Cl)c1)C(C)C ZINC000071600904 176227108 /nfs/dbraw/zinc/22/71/08/176227108.db2.gz QQBZYCIXMSQXNK-CYBMUJFWSA-N 1 0 269.772 3.165 10 0 CGAERO CC(C)[NH2+][C@H](CO)c1ccc(OC(C)C)c(Cl)c1 ZINC000071611296 176231907 /nfs/dbraw/zinc/23/19/07/176231907.db2.gz RTSBOGGCMUCREQ-CYBMUJFWSA-N 1 0 271.788 3.159 10 0 CGAERO COc1cc2c(cc1OC)C1(CC1)C[NH2+][C@H]2C(C)(C)C ZINC000071616418 176234660 /nfs/dbraw/zinc/23/46/60/176234660.db2.gz KHPJQVOHGRYLTR-OAHLLOKOSA-N 1 0 275.392 3.426 10 0 CGAERO OCCCC[N@@H+]1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000072154342 176327725 /nfs/dbraw/zinc/32/77/25/176327725.db2.gz JYYLXUCUBZKIFE-MRXNPFEDSA-N 1 0 279.399 3.243 10 0 CGAERO COC[C@@H](C)C[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000128965715 287321738 /nfs/dbraw/zinc/32/17/38/287321738.db2.gz QFHAEZDAPJRHMN-JSGCOSHPSA-N 1 0 263.381 3.161 10 0 CGAERO CC[C@H](C)c1ccc(-c2cn(CCC[NH3+])cn2)cc1 ZINC000076310570 176981070 /nfs/dbraw/zinc/98/10/70/176981070.db2.gz KIJAACTZQPTXQI-ZDUSSCGKSA-N 1 0 257.381 3.412 10 0 CGAERO CC(C)(C[NH3+])C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000076565597 177039127 /nfs/dbraw/zinc/03/91/27/177039127.db2.gz JCKATRMGVVJYTL-UHFFFAOYSA-N 1 0 294.704 3.282 10 0 CGAERO [NH3+]C[C@H](c1cccc(Br)c1)C1CCC1 ZINC000076657903 177047100 /nfs/dbraw/zinc/04/71/00/177047100.db2.gz KSZNNAHAHKXJMQ-LBPRGKRZSA-N 1 0 254.171 3.292 10 0 CGAERO CC[C@H](C[NH3+])CCC(=O)Nc1cccc(Cl)c1 ZINC000076659055 177047694 /nfs/dbraw/zinc/04/76/94/177047694.db2.gz FJNXTKCDBDPCIQ-JTQLQIEISA-N 1 0 254.761 3.044 10 0 CGAERO COc1cc(F)c([C@@H](CC[NH3+])CC(C)C)cc1F ZINC000076663879 177049898 /nfs/dbraw/zinc/04/98/98/177049898.db2.gz UBABUYNFRKOFCW-JTQLQIEISA-N 1 0 257.324 3.452 10 0 CGAERO CC(C)c1cccc(OC[C@@H](C[NH3+])c2cc[nH]c2)c1 ZINC000076667658 177051751 /nfs/dbraw/zinc/05/17/51/177051751.db2.gz KHCNAEGOBMIVAI-OAHLLOKOSA-N 1 0 258.365 3.259 10 0 CGAERO CC[C@H](C[NH3+])CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000076675776 177055940 /nfs/dbraw/zinc/05/59/40/177055940.db2.gz JTXCDXFJHPNCCT-LBPRGKRZSA-N 1 0 262.397 3.298 10 0 CGAERO Cc1cccc(C)c1NC(=O)CC[C@H](C[NH3+])C(C)C ZINC000076676066 177056100 /nfs/dbraw/zinc/05/61/00/177056100.db2.gz PMUCVFFIGNZIRQ-CQSZACIVSA-N 1 0 262.397 3.253 10 0 CGAERO [NH3+]CC[C@@H](COc1cccc(Cl)c1)c1ccc[nH]1 ZINC000076680594 177058314 /nfs/dbraw/zinc/05/83/14/177058314.db2.gz VJKKACGYJDERBN-NSHDSACASA-N 1 0 264.756 3.180 10 0 CGAERO CC[C@@H](C[NH3+])CC(=O)Nc1ccc(Br)cc1C ZINC000076870198 177125455 /nfs/dbraw/zinc/12/54/55/177125455.db2.gz GJFAAECPSIBLEM-SNVBAGLBSA-N 1 0 299.212 3.071 10 0 CGAERO C[N@@H+](Cc1ccc(Cl)s1)C[C@H]1CCC[C@@H](O)C1 ZINC000310444882 416529639 /nfs/dbraw/zinc/52/96/39/416529639.db2.gz UCDJBBXCWIIOBJ-WDEREUQCSA-N 1 0 273.829 3.384 10 0 CGAERO O[C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)sc2Cl)C1 ZINC000312587984 416533432 /nfs/dbraw/zinc/53/34/32/416533432.db2.gz SUZWSALCNXGWOS-DTWKUNHWSA-N 1 0 280.220 3.448 10 0 CGAERO Cc1cc(Cl)ccc1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000129826639 287339810 /nfs/dbraw/zinc/33/98/10/287339810.db2.gz KOYPBZHMDLQNFT-UKRRQHHQSA-N 1 0 267.800 3.289 10 0 CGAERO Cc1cnc(C[NH2+]CC2CCC(C(F)(F)F)CC2)o1 ZINC000682780992 543867715 /nfs/dbraw/zinc/86/77/15/543867715.db2.gz RJJVCJVLUVITMN-UHFFFAOYSA-N 1 0 276.302 3.441 10 0 CGAERO CC(C)(C)OC(=O)N1CCC2(C[C@H](CC3CC3)C[NH2+]2)CC1 ZINC000725256132 544113469 /nfs/dbraw/zinc/11/34/69/544113469.db2.gz UWAXQGADPSYOGB-AWEZNQCLSA-N 1 0 294.439 3.166 10 0 CGAERO CC(C)[C@H]1C[NH2+]C2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000725256189 544113471 /nfs/dbraw/zinc/11/34/71/544113471.db2.gz WIVPCVBRAIPZQC-CYBMUJFWSA-N 1 0 282.428 3.022 10 0 CGAERO CCCC[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]1 ZINC000725261995 544113755 /nfs/dbraw/zinc/11/37/55/544113755.db2.gz QBHPAFCOWYXKCS-YNEHKIRRSA-N 1 0 270.417 3.210 10 0 CGAERO CCC1(C)CC[NH+](C[C@H]2C[C@]2(CO)C(C)C)CC1 ZINC000725267023 544114671 /nfs/dbraw/zinc/11/46/71/544114671.db2.gz AAKVMRPJHAYJRY-ZBFHGGJFSA-N 1 0 253.430 3.153 10 0 CGAERO O[C@@]12CCCC[C@@H]1C[N@H+](CCCC1CCC1)CC2 ZINC000660013099 419064912 /nfs/dbraw/zinc/06/49/12/419064912.db2.gz OCJPLZCPQXKXNB-HZPDHXFCSA-N 1 0 251.414 3.194 10 0 CGAERO Cc1c[nH]c(CN[C@H](C)c2ccc(Cl)s2)n1 ZINC000657300158 419245618 /nfs/dbraw/zinc/24/56/18/419245618.db2.gz JQZHESXVXOPJTB-MRVPVSSYSA-N 1 0 255.774 3.284 10 0 CGAERO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2)CO1 ZINC000657286674 419242651 /nfs/dbraw/zinc/24/26/51/419242651.db2.gz QHPYIZMGPLSFQS-MVWJERBFSA-N 1 0 255.308 3.183 10 0 CGAERO C[C@@H]1CC(C[NH2+][C@@H]2CCCSCC2)C[C@@H](C)O1 ZINC000658002563 419489188 /nfs/dbraw/zinc/48/91/88/419489188.db2.gz VXJNQPAJSMXSRI-YRGRVCCFSA-N 1 0 257.443 3.065 10 0 CGAERO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1cc2ccccc2s1 ZINC000658238974 419696355 /nfs/dbraw/zinc/69/63/55/419696355.db2.gz KPKRGTBZOXQPRN-NEPJUHHUSA-N 1 0 288.416 3.030 10 0 CGAERO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(C(C)C)n1C ZINC000190054869 287576484 /nfs/dbraw/zinc/57/64/84/287576484.db2.gz WESUHKZQYCNCNA-OLZOCXBDSA-N 1 0 296.484 3.092 10 0 CGAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccccc1C(C)(C)C ZINC000094648544 262461497 /nfs/dbraw/zinc/46/14/97/262461497.db2.gz HLMYOQLWXPQJHR-OLZOCXBDSA-N 1 0 274.408 3.311 10 0 CGAERO Cn1ccc(CC[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)n1 ZINC000230897735 287641246 /nfs/dbraw/zinc/64/12/46/287641246.db2.gz GCDXMRNCMAUFID-HUUCEWRRSA-N 1 0 263.429 3.157 10 0 CGAERO COc1ccc([C@@H](C)[NH2+][C@H](CC(C)C)CN(C)C)cc1F ZINC000037166950 270028911 /nfs/dbraw/zinc/02/89/11/270028911.db2.gz DOIXAIFVAVRHEU-UKRRQHHQSA-N 1 0 296.430 3.461 10 0 CGAERO CCc1ccc([C@@H](C)[NH2+]CC(=O)NC(C)(C)CC)cc1 ZINC000042300421 270032289 /nfs/dbraw/zinc/03/22/89/270032289.db2.gz HUPHHWKJYHAFBH-CYBMUJFWSA-N 1 0 276.424 3.204 10 0 CGAERO Cc1cnn(CC[NH2+]CC2CCC(C(F)(F)F)CC2)c1 ZINC000183703070 270056301 /nfs/dbraw/zinc/05/63/01/270056301.db2.gz NESNIVRRXFIGBT-UHFFFAOYSA-N 1 0 289.345 3.150 10 0 CGAERO CCSc1cccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)c1 ZINC000185550831 270063313 /nfs/dbraw/zinc/06/33/13/270063313.db2.gz DJPQZKNPPHZQBQ-HOCLYGCPSA-N 1 0 279.449 3.439 10 0 CGAERO C[C@H]1COC[C@H](C)[NH+]1CC1CCC(C(F)(F)F)CC1 ZINC000185516897 270063075 /nfs/dbraw/zinc/06/30/75/270063075.db2.gz YLLHYOXJTGRLFO-ZSVAQUKISA-N 1 0 279.346 3.464 10 0 CGAERO [NH3+]Cc1nccc2c(Br)cc(Cl)cc21 ZINC000521401006 265439136 /nfs/dbraw/zinc/43/91/36/265439136.db2.gz INIAOUIMOTXDNU-UHFFFAOYSA-N 1 0 271.545 3.109 10 0 CGAERO COC(=O)[C@@H]1CCCC[N@@H+]1CC/C=C/c1ccccc1 ZINC000323702188 270094592 /nfs/dbraw/zinc/09/45/92/270094592.db2.gz KZPWOXDPSPDCKY-WQRDJFRPSA-N 1 0 273.376 3.117 10 0 CGAERO C[C@@H]([NH3+])c1ccc(-c2ccc3c(c2)CCOC3)cc1 ZINC000530249161 270197596 /nfs/dbraw/zinc/19/75/96/270197596.db2.gz ZJPMLWZRFYLGPC-GFCCVEGCSA-N 1 0 253.345 3.446 10 0 CGAERO OC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000247956327 287751983 /nfs/dbraw/zinc/75/19/83/287751983.db2.gz FQLMBROGHVBJRX-XIRDDKMYSA-N 1 0 259.393 3.205 10 0 CGAERO CC(C)[C@H]([NH2+][C@H](C)C[S@@](C)=O)c1ccccc1Cl ZINC000248442356 287765713 /nfs/dbraw/zinc/76/57/13/287765713.db2.gz AMLHTUOTLJKXTH-CDNVCLAFSA-N 1 0 287.856 3.394 10 0 CGAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(C2CC2)C1 ZINC000250692784 287829909 /nfs/dbraw/zinc/82/99/09/287829909.db2.gz KOOPSWUZJTYKOL-NUEKZKHPSA-N 1 0 264.457 3.418 10 0 CGAERO CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000044135599 275519289 /nfs/dbraw/zinc/51/92/89/275519289.db2.gz PMKFHKVDGNCTBC-MCIONIFRSA-N 1 0 282.428 3.151 10 0 CGAERO C[C@H](c1ccc(C(F)(F)F)cc1)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000251576393 287834787 /nfs/dbraw/zinc/83/47/87/287834787.db2.gz DSDICZVLOBXYGA-IJLUTSLNSA-N 1 0 286.341 3.449 10 0 CGAERO CC(C)[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000187371145 275672338 /nfs/dbraw/zinc/67/23/38/275672338.db2.gz WFBMJUCTHOXLPT-SJLPKXTDSA-N 1 0 283.419 3.124 10 0 CGAERO CCN1CCC([NH2+][C@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000037977216 276151979 /nfs/dbraw/zinc/15/19/79/276151979.db2.gz PJOZBPVWDOJYQC-UXLLHSPISA-N 1 0 264.457 3.419 10 0 CGAERO CCN1CCC[C@@H]1C[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000037213857 276373712 /nfs/dbraw/zinc/37/37/12/276373712.db2.gz PAKCVKHWLBUQPM-SJLPKXTDSA-N 1 0 288.435 3.220 10 0 CGAERO CC(C)(C)SCC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000376763287 277223120 /nfs/dbraw/zinc/22/31/20/277223120.db2.gz DJNUQSSNSNPUPA-DZGCQCFKSA-N 1 0 271.470 3.145 10 0 CGAERO CC/C=C\C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000395126266 288006113 /nfs/dbraw/zinc/00/61/13/288006113.db2.gz DLHCVZZVYOHFHR-LMVHVUTASA-N 1 0 282.428 3.189 10 0 CGAERO COc1cccc([C@H]2C[C@@H]([NH3+])c3ccccc3N2)c1 ZINC000097758172 278022322 /nfs/dbraw/zinc/02/23/22/278022322.db2.gz LWMIXDKNXCGVMP-GDBMZVCRSA-N 1 0 254.333 3.252 10 0 CGAERO CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000395203017 288007133 /nfs/dbraw/zinc/00/71/33/288007133.db2.gz DYWUOBSTMDZOLS-SWLSCSKDSA-N 1 0 294.826 3.077 10 0 CGAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCC1(CO)CC1 ZINC000396031135 288012690 /nfs/dbraw/zinc/01/26/90/288012690.db2.gz ZUEBIRRNUPBJGN-KGLIPLIRSA-N 1 0 253.430 3.344 10 0 CGAERO C[C@H](N[C@@H]1CCC[NH2+][C@H]1C)c1ccccc1Br ZINC000396599910 288014279 /nfs/dbraw/zinc/01/42/79/288014279.db2.gz ASSLXIMAZRVAOC-COPLHBTASA-N 1 0 297.240 3.240 10 0 CGAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CC1(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000397684101 288027400 /nfs/dbraw/zinc/02/74/00/288027400.db2.gz JNNRUXKSJRIWCX-HUBLWGQQSA-N 1 0 295.448 3.175 10 0 CGAERO CC[C@H]([NH2+][C@H](C)c1nnc(C)s1)[C@@H]1CC1(C)C ZINC000397710670 288028087 /nfs/dbraw/zinc/02/80/87/288028087.db2.gz SOKXAVJSOZQXPL-MIMYLULJSA-N 1 0 253.415 3.322 10 0 CGAERO C[C@@H]([NH2+][C@H]1CC(=O)N(C)c2ccccc21)c1ccccc1 ZINC000037185928 278380544 /nfs/dbraw/zinc/38/05/44/278380544.db2.gz HNNSSSZHSURSQH-CJNGLKHVSA-N 1 0 280.371 3.445 10 0 CGAERO C[C@H]([NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)c1csnn1 ZINC000398269638 288042001 /nfs/dbraw/zinc/04/20/01/288042001.db2.gz PAOQETDEROQQAU-OUAUKWLOSA-N 1 0 253.415 3.404 10 0 CGAERO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000399241752 288050284 /nfs/dbraw/zinc/05/02/84/288050284.db2.gz MMVZHCSREXSGFZ-GXFFZTMASA-N 1 0 273.298 3.051 10 0 CGAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)Nc1cc(F)cc(F)c1 ZINC000121661367 279129629 /nfs/dbraw/zinc/12/96/29/279129629.db2.gz LTAFKGOLIUIVNS-CQSZACIVSA-N 1 0 299.365 3.063 10 0 CGAERO 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/nfs/dbraw/zinc/22/45/60/518224560.db2.gz LSPMKCPHXWNASH-VIFPVBQESA-N 1 0 267.126 3.015 10 0 CGAERO CC(C)(C)NC(=O)C[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000104705680 518734417 /nfs/dbraw/zinc/73/44/17/518734417.db2.gz DJAJSKBPPAFDMA-INIZCTEOSA-N 1 0 292.398 3.171 10 0 CGAERO CC(C)(C)c1nc(N2CCCCCC2)sc1C[NH3+] ZINC000054995628 519104100 /nfs/dbraw/zinc/10/41/00/519104100.db2.gz NRSGJUOKCDEXQL-UHFFFAOYSA-N 1 0 267.442 3.280 10 0 CGAERO CC(C)C[C@@H]1CN[C@@H](C)C[N@@H+]1CCCc1ccccc1 ZINC000062668190 519273722 /nfs/dbraw/zinc/27/37/22/519273722.db2.gz XPECTFUMFPKFSG-FUHWJXTLSA-N 1 0 274.452 3.328 10 0 CGAERO CC(C)C[NH2+]C[C@@H](C)OCc1ccccc1Cl ZINC000052622881 519744993 /nfs/dbraw/zinc/74/49/93/519744993.db2.gz PJAFRFSGPFLEMV-GFCCVEGCSA-N 1 0 255.789 3.491 10 0 CGAERO CC(C)COCc1csc(C[NH2+]C(C)(C)C)n1 ZINC000052622301 519759249 /nfs/dbraw/zinc/75/92/49/519759249.db2.gz QGPKFLFSAQOYHT-UHFFFAOYSA-N 1 0 256.415 3.204 10 0 CGAERO CC(C)[C@@H]1CC[C@@H](O)[C@H](C[N@H+](C)CC(C)(C)C)C1 ZINC000054561507 519803390 /nfs/dbraw/zinc/80/33/90/519803390.db2.gz XHLYHGIBUSHKJW-QLFBSQMISA-N 1 0 255.446 3.398 10 0 CGAERO CC(C)[C@H]1C[NH2+]C(C)(C)CN1Cc1ccc(F)cc1 ZINC000062662065 519827179 /nfs/dbraw/zinc/82/71/79/519827179.db2.gz OAOMWGSENJTMDM-OAHLLOKOSA-N 1 0 264.388 3.034 10 0 CGAERO CCCNC(=[NH2+])N(C)[C@@H](C)c1ccccc1Cl ZINC000062013066 519865724 /nfs/dbraw/zinc/86/57/24/519865724.db2.gz FLTSALAYDZBRTG-JTQLQIEISA-N 1 0 253.777 3.267 10 0 CGAERO CC[NH2+]C1CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000049526049 519908704 /nfs/dbraw/zinc/90/87/04/519908704.db2.gz OFIRVSDQPPJAEY-GFCCVEGCSA-N 1 0 266.816 3.475 10 0 CGAERO CCC[NH2+]CCCCCN(CC)CC(F)(F)F ZINC000052503142 519912514 /nfs/dbraw/zinc/91/25/14/519912514.db2.gz LXWQTIJDORJTSO-UHFFFAOYSA-N 1 0 254.340 3.041 10 0 CGAERO CCC[NH2+]CCCc1c(C)nc(CC(C)C)nc1C ZINC000054837638 519914282 /nfs/dbraw/zinc/91/42/82/519914282.db2.gz GEHQWYHGYSWQMF-UHFFFAOYSA-N 1 0 263.429 3.224 10 0 CGAERO CCC[NH2+]CCOCc1sccc1Br ZINC000051845031 519918373 /nfs/dbraw/zinc/91/83/73/519918373.db2.gz FTGBKDCSROYBDR-UHFFFAOYSA-N 1 0 278.215 3.027 10 0 CGAERO CC(C)n1c2ccc(Cl)cc2nc1[C@@H](C)C[NH3+] ZINC000054334299 519924874 /nfs/dbraw/zinc/92/48/74/519924874.db2.gz FSEDWKWMHAAPOG-VIFPVBQESA-N 1 0 251.761 3.333 10 0 CGAERO CCC[NH2+]C[C@H](C)Sc1nc2cc(C)ccc2[nH]1 ZINC000061441361 519931655 /nfs/dbraw/zinc/93/16/55/519931655.db2.gz YVMJHGRCJBEEQF-NSHDSACASA-N 1 0 263.410 3.352 10 0 CGAERO CCC[NH2+]Cc1cnc(N2C[C@@H](C)C[C@H](C)C2)s1 ZINC000054899706 519966390 /nfs/dbraw/zinc/96/63/90/519966390.db2.gz XPYNLODLNAWKEG-RYUDHWBXSA-N 1 0 267.442 3.125 10 0 CGAERO CCC[NH2+]Cc1sc(N(CC)C2CC2)nc1CC ZINC000054996890 519974523 /nfs/dbraw/zinc/97/45/23/519974523.db2.gz MLMHTRVKFFWOJT-UHFFFAOYSA-N 1 0 267.442 3.194 10 0 CGAERO CC[NH2+]C[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000053010481 519977373 /nfs/dbraw/zinc/97/73/73/519977373.db2.gz FBUHNWFCAUITSQ-SNVBAGLBSA-N 1 0 273.207 3.429 10 0 CGAERO CC[NH2+]Cc1sc(N(C)[C@H](C)C(C)C)nc1CC ZINC000054997815 520033271 /nfs/dbraw/zinc/03/32/71/520033271.db2.gz URDGIFBXLAZINE-LLVKDONJSA-N 1 0 269.458 3.296 10 0 CGAERO CC[NH2+][C@@H](C)CC(=O)N[C@H](CC)c1ccc(Cl)cc1 ZINC000061270546 520066457 /nfs/dbraw/zinc/06/64/57/520066457.db2.gz LUYOFFSAFJWGKF-SMDDNHRTSA-N 1 0 282.815 3.295 10 0 CGAERO CCC[NH2+][C@H]1CCN([C@@H](C)c2ccc(C)s2)C1 ZINC000049183951 520093643 /nfs/dbraw/zinc/09/36/43/520093643.db2.gz JCUODNGBIFOPIF-STQMWFEESA-N 1 0 252.427 3.191 10 0 CGAERO CC[NH2+][C@@H](C[C@H]1CCCO1)c1ccc(F)c(C)c1 ZINC000053829839 520103724 /nfs/dbraw/zinc/10/37/24/520103724.db2.gz JSZYXKPJJQZIHR-HIFRSBDPSA-N 1 0 251.345 3.354 10 0 CGAERO CC[NH2+][C@@H](Cc1ccccn1)c1cc(F)cc(F)c1 ZINC000055223907 520105769 /nfs/dbraw/zinc/10/57/69/520105769.db2.gz JBMBIOAYNQUTDW-HNNXBMFYSA-N 1 0 262.303 3.253 10 0 CGAERO CC[NH2+][C@@H](c1ccc(OC)cc1)[C@@H](C)OC1CCC1 ZINC000050519653 520109207 /nfs/dbraw/zinc/10/92/07/520109207.db2.gz CJCLIOLXRZUJDA-MLGOLLRUSA-N 1 0 263.381 3.303 10 0 CGAERO CC[NH2+][C@@H](c1ccc(OC)cc1C)[C@H]1CCCOC1 ZINC000062232709 520111155 /nfs/dbraw/zinc/11/11/55/520111155.db2.gz YVWAJZXVFCRLNG-XJKSGUPXSA-N 1 0 263.381 3.081 10 0 CGAERO CC/C=C/CC[N@@H+]1CCC[C@@H](n2ccnc2CC)C1 ZINC000184530050 520197015 /nfs/dbraw/zinc/19/70/15/520197015.db2.gz IKBOLQUPGMZVCW-LLYBFZRZSA-N 1 0 261.413 3.439 10 0 CGAERO CCCOC[C@@H]([NH3+])Cc1cccc(C(F)(F)F)c1 ZINC000060701646 520256775 /nfs/dbraw/zinc/25/67/75/520256775.db2.gz DYBPETZQJPSWHH-LBPRGKRZSA-N 1 0 261.287 3.002 10 0 CGAERO CC1(C)CO[C@H](c2ccccc2)C[N@@H+]1CCc1ccccn1 ZINC000102949954 520512950 /nfs/dbraw/zinc/51/29/50/520512950.db2.gz CJQJDQJBBZPZPH-SFHVURJKSA-N 1 0 296.414 3.476 10 0 CGAERO CC[NH+](CC)c1ccc(NCc2c[nH]c(C)n2)cc1 ZINC000054821729 520920504 /nfs/dbraw/zinc/92/05/04/520920504.db2.gz IJRVCZJYZFFAJA-UHFFFAOYSA-N 1 0 258.369 3.176 10 0 CGAERO CCCCc1ccc(NC(=O)C[C@@H](C)[NH2+]CC)cc1 ZINC000061269539 521279615 /nfs/dbraw/zinc/27/96/15/521279615.db2.gz APPUJVQVFLDKIB-CYBMUJFWSA-N 1 0 262.397 3.356 10 0 CGAERO CCOc1cccc(-c2nc(C)c(C[NH2+]C)s2)c1 ZINC000052330137 521311619 /nfs/dbraw/zinc/31/16/19/521311619.db2.gz LMFGJNHCABOSBJ-UHFFFAOYSA-N 1 0 262.378 3.237 10 0 CGAERO CCN(c1nc(C)c([C@H](C)[NH3+])s1)C1CCCC1 ZINC000054895536 521505757 /nfs/dbraw/zinc/50/57/57/521505757.db2.gz HXPQSRLMEGRSKP-VIFPVBQESA-N 1 0 253.415 3.240 10 0 CGAERO CCCc1nc(N(CC)CC(C)C)sc1C[NH3+] ZINC000054996284 521531245 /nfs/dbraw/zinc/53/12/45/521531245.db2.gz NHZMCZMGCPEENX-UHFFFAOYSA-N 1 0 255.431 3.037 10 0 CGAERO C[NH2+]CCc1c(C)nc(C2CCC(C)CC2)nc1C ZINC000054838147 522019421 /nfs/dbraw/zinc/01/94/21/522019421.db2.gz DAXDUHYBLIAVCR-UHFFFAOYSA-N 1 0 261.413 3.149 10 0 CGAERO C[NH2+]C[C@@H]1C[C@]1(Cc1ccccc1)c1ccccc1 ZINC000054589326 522061858 /nfs/dbraw/zinc/06/18/58/522061858.db2.gz ADBCDJRLNZRXDU-ZWKOTPCHSA-N 1 0 251.373 3.406 10 0 CGAERO CC[C@@H](C)N(CC)c1ccnc(C[NH2+]CC(C)C)c1 ZINC000051441286 522086281 /nfs/dbraw/zinc/08/62/81/522086281.db2.gz GFDMNXZCNNHOLG-CQSZACIVSA-N 1 0 263.429 3.452 10 0 CGAERO C[NH2+]Cc1c(C)nn(Cc2c(C)cc(C)cc2C)c1C 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296.430 3.409 10 0 CGAERO CC[C@H]1C[NH2+][C@H](C(C)C)CN1c1cccc(F)c1 ZINC000083383626 536169981 /nfs/dbraw/zinc/16/99/81/536169981.db2.gz XEMLDSAGDZWOGJ-ZFWWWQNUSA-N 1 0 250.361 3.039 10 0 CGAERO COc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)cc1 ZINC000248884651 536904736 /nfs/dbraw/zinc/90/47/36/536904736.db2.gz RYHSINCRBRFCRG-XGWLTEMNSA-N 1 0 275.392 3.303 10 0 CGAERO CCC(C)(C)C1CCC([C@@](O)(C[NH3+])C(F)(F)F)CC1 ZINC000675052425 570321794 /nfs/dbraw/zinc/32/17/94/570321794.db2.gz FAAGMWFYJPIRNO-XIVSLSHWSA-N 1 0 281.362 3.481 10 0 CGAERO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000250683450 572530172 /nfs/dbraw/zinc/53/01/72/572530172.db2.gz ZMWHNDIGYJWAKV-ZOBORPQBSA-N 1 0 290.373 3.324 10 0 CGAERO CCC1(CC)O[C@@]2(CCCSC2)[NH2+]CC1(C)C ZINC000757142233 617791597 /nfs/dbraw/zinc/79/15/97/617791597.db2.gz KSXPQGNPXMKBAP-CQSZACIVSA-N 1 0 257.443 3.415 10 0 CGAERO CC(C)(C)OC(=O)C1(c2cccc(Cl)c2)CC([NH3+])C1 ZINC000757178523 617833977 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ZINC000174243162 623375388 /nfs/dbraw/zinc/37/53/88/623375388.db2.gz UAULQUVQUSJJAE-UHFFFAOYSA-N 1 0 281.476 3.429 10 0 CGAERO CC(C)c1nn(C)cc1-c1ccc2c(c1)CC[C@H]2[NH3+] ZINC000232764118 623559793 /nfs/dbraw/zinc/55/97/93/623559793.db2.gz ANDKSLIQNUIBDI-OAHLLOKOSA-N 1 0 255.365 3.157 10 0 CGAERO CC1(C)Cc2cc(C[NH2+][C@@H]3CCCC[C@@H]3CO)ccc2O1 ZINC000152296166 623640512 /nfs/dbraw/zinc/64/05/12/623640512.db2.gz BSIUHMSAYJNNER-GDBMZVCRSA-N 1 0 289.419 3.041 10 0 CGAERO Clc1ccc(Cc2noc([C@@H]3CCC[NH2+]3)n2)c(Cl)c1 ZINC000035347236 623696523 /nfs/dbraw/zinc/69/65/23/623696523.db2.gz VSNXGLLFFWBXLN-NSHDSACASA-N 1 0 298.173 3.392 10 0 CGAERO CCCOc1cncc(-c2ccc(F)c(C[NH3+])c2)c1 ZINC000212592377 623724262 /nfs/dbraw/zinc/72/42/62/623724262.db2.gz PBQWIKMYFYOGQN-UHFFFAOYSA-N 1 0 260.312 3.135 10 0 CGAERO C[C@H](CC[NH2+][C@H](C)C1CCCC1)NC(=O)OC(C)(C)C ZINC000180516462 624758308 /nfs/dbraw/zinc/75/83/08/624758308.db2.gz DJZXSJGXFCQSRO-CHWSQXEVSA-N 1 0 284.444 3.458 10 0 CGAERO CC[C@H](C[NH2+]CCc1ccccc1)NC(=O)OC(C)(C)C ZINC000227712965 625752533 /nfs/dbraw/zinc/75/25/33/625752533.db2.gz VRHLBPNUTUPMTQ-OAHLLOKOSA-N 1 0 292.423 3.122 10 0 CGAERO CC(C)[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]Cc1ccco1 ZINC000123175043 633597023 /nfs/dbraw/zinc/59/70/23/633597023.db2.gz BDSCROCNDPQIOH-INIZCTEOSA-N 1 0 296.411 3.309 10 0 CGAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccc(SC(F)F)cc1 ZINC000123877866 633916687 /nfs/dbraw/zinc/91/66/87/633916687.db2.gz FPRPKEFGCYHDLK-NSHDSACASA-N 1 0 288.363 3.313 10 0 CGAERO CC(C)c1ccc([C@@H](C)NC(=O)C[C@@H]([NH3+])C2CC2)cc1 ZINC000137281055 637445382 /nfs/dbraw/zinc/44/53/82/637445382.db2.gz HPYFAUDYJWFKDX-MLGOLLRUSA-N 1 0 274.408 3.115 10 0 CGAERO C[C@@H]1CC[N@H+](C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000044162734 639959544 /nfs/dbraw/zinc/95/95/44/639959544.db2.gz APCPPVPDUUPJKQ-MFKMUULPSA-N 1 0 273.298 3.081 10 0 CGAERO CC(C)[C@@H]([NH3+])Cc1nc(C2CCCCCCC2)no1 ZINC000159154965 640032924 /nfs/dbraw/zinc/03/29/24/640032924.db2.gz QSPPUATXRKQFKA-ZDUSSCGKSA-N 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CO[C@H](c1noc([C@@H]2CC[C@@H]3CCCC[C@H]3[NH2+]2)n1)C1CC1 ZINC000253173044 640873527 /nfs/dbraw/zinc/87/35/27/640873527.db2.gz LAJPYYBIMGVNQF-GHYVTOPFSA-N 1 0 291.395 3.150 10 0 CGAERO COc1ccc(Cc2nc(C3CC3)c(C[NH3+])s2)cc1 ZINC000082435404 178012688 /nfs/dbraw/zinc/01/26/88/178012688.db2.gz LVSWJPNCFXEJPW-UHFFFAOYSA-N 1 0 274.389 3.079 10 0 CGAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+]C1CC2(C1)CCCCC2 ZINC000335233993 282100605 /nfs/dbraw/zinc/10/06/05/282100605.db2.gz VOWYUOHSRAYWDI-AWEZNQCLSA-N 1 0 274.412 3.124 10 0 CGAERO Nc1cccc2c1C[N@H+](CCCc1ccccc1)CC2 ZINC000082790077 178295060 /nfs/dbraw/zinc/29/50/60/178295060.db2.gz INAJFDXFCJPAGV-UHFFFAOYSA-N 1 0 266.388 3.260 10 0 CGAERO [NH3+][C@H]1CCCc2c1c(C1CC1)nn2Cc1ccccc1 ZINC000082826349 178323229 /nfs/dbraw/zinc/32/32/29/178323229.db2.gz JMIIUEWQYNXQBH-AWEZNQCLSA-N 1 0 267.376 3.145 10 0 CGAERO O[C@@H](c1cc2cc(Cl)ccc2o1)C1CC[NH2+]CC1 ZINC000083160757 178345440 /nfs/dbraw/zinc/34/54/40/178345440.db2.gz ITNWYFRGVADKBO-CQSZACIVSA-N 1 0 265.740 3.119 10 0 CGAERO COc1c(Cl)c2c(c(Cl)c1OC)[C@H](C)[NH2+]CC2 ZINC000096889011 185123719 /nfs/dbraw/zinc/12/37/19/185123719.db2.gz GHKNHEDDFJHLJV-LURJTMIESA-N 1 0 276.163 3.217 10 0 CGAERO CC[C@@H](C[NH3+])c1cc(OC)c(C(C)C)cc1OC ZINC000096889390 185123745 /nfs/dbraw/zinc/12/37/45/185123745.db2.gz DCFPBOSHEJAQDB-NSHDSACASA-N 1 0 251.370 3.280 10 0 CGAERO CC[NH2+][C@@H](C)[C@H](O)c1ccc(SC(C)C)cc1 ZINC000096891034 185124964 /nfs/dbraw/zinc/12/49/64/185124964.db2.gz AWDUJHNSVYGDBU-FZMZJTMJSA-N 1 0 253.411 3.219 10 0 CGAERO [NH3+][C@@H]1CCN(Cc2ccccc2)[C@H]1c1ccccc1F ZINC000096945422 185135527 /nfs/dbraw/zinc/13/55/27/185135527.db2.gz HJQPCIHRCDTENI-SJORKVTESA-N 1 0 270.351 3.100 10 0 CGAERO Cc1ccccc1[C@@H]1[C@@H]([NH3+])CCN1Cc1ccccc1 ZINC000096947872 185137456 /nfs/dbraw/zinc/13/74/56/185137456.db2.gz NJRGDJDBKVOLRG-ZWKOTPCHSA-N 1 0 266.388 3.269 10 0 CGAERO CCc1ccccc1C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000178787542 529569339 /nfs/dbraw/zinc/56/93/39/529569339.db2.gz SLGAJIWXXUBWFD-SFHVURJKSA-N 1 0 296.414 3.282 10 0 CGAERO CC[C@H]([NH2+]CCn1cncn1)c1ccc(Cl)cc1Cl ZINC000358080496 529609207 /nfs/dbraw/zinc/60/92/07/529609207.db2.gz IXUWIZGVZXVEOB-ZDUSSCGKSA-N 1 0 299.205 3.326 10 0 CGAERO COc1cc(C[NH2+]CC[C@@H]2CCCO2)ccc1Cl ZINC000623353185 349786671 /nfs/dbraw/zinc/78/66/71/349786671.db2.gz COMOBPBLAYDAQW-LBPRGKRZSA-N 1 0 269.772 3.007 10 0 CGAERO O[C@H]1CCC[C@@H]([NH2+]Cc2c(F)ccc(F)c2Cl)C1 ZINC000623373860 349792668 /nfs/dbraw/zinc/79/26/68/349792668.db2.gz OLAWXUAHGSXHLK-BDAKNGLRSA-N 1 0 275.726 3.011 10 0 CGAERO C[C@H](NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)C(C)(C)C ZINC000112460242 299088395 /nfs/dbraw/zinc/08/83/95/299088395.db2.gz WNUGRBOWCHZXSH-LSDHHAIUSA-N 1 0 295.471 3.081 10 0 CGAERO Cc1nn(C)c(C)c1C[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000153028555 282262340 /nfs/dbraw/zinc/26/23/40/282262340.db2.gz TVKXHYPQJSPVBY-INIZCTEOSA-N 1 0 299.418 3.429 10 0 CGAERO CC[N@@H+]1CCC[C@H](OC(=O)Nc2c(C)cccc2C)C1 ZINC000002010843 344856952 /nfs/dbraw/zinc/85/69/52/344856952.db2.gz GQBBRMZCLIBJIM-AWEZNQCLSA-N 1 0 276.380 3.336 10 0 CGAERO CCOC(=O)C=C1CC[NH+](CCCc2ccccc2)CC1 ZINC000039002978 344957230 /nfs/dbraw/zinc/95/72/30/344957230.db2.gz PMWJRSKGQSMXEM-UHFFFAOYSA-N 1 0 287.403 3.205 10 0 CGAERO C[NH+]1CCC2(CC1)O[C@H](c1ccccc1)c1cc(O)ccc12 ZINC000039206739 344957965 /nfs/dbraw/zinc/95/79/65/344957965.db2.gz NJIDIUULQXPQMX-GOSISDBHSA-N 1 0 295.382 3.433 10 0 CGAERO C[C@@H]([NH3+])c1cc(Br)sc1Br ZINC000037114425 344947287 /nfs/dbraw/zinc/94/72/87/344947287.db2.gz JGBLUPAONDKPLH-GSVOUGTGSA-N 1 0 285.004 3.293 10 0 CGAERO O=C(c1ccccc1)N(c1ccccc1)C1CC[NH2+]CC1 ZINC000037279867 344948624 /nfs/dbraw/zinc/94/86/24/344948624.db2.gz VSPPLQWYLDZMSK-UHFFFAOYSA-N 1 0 280.371 3.085 10 0 CGAERO CS[C@H](c1ccccc1Br)[C@H](C)[NH3+] ZINC000043096404 344994380 /nfs/dbraw/zinc/99/43/80/344994380.db2.gz MFBUFPRKNGYCAU-XVKPBYJWSA-N 1 0 260.200 3.200 10 0 CGAERO C[NH2+][C@@H]1c2cccc(Br)c2S[C@H]1C ZINC000043636060 345002123 /nfs/dbraw/zinc/00/21/23/345002123.db2.gz FFQVYPTUHLOKHL-RCOVLWMOSA-N 1 0 258.184 3.204 10 0 CGAERO Cc1cc([C@H]([NH3+])CCO)cc(C)c1OCc1ccccc1 ZINC000044233368 345006825 /nfs/dbraw/zinc/00/68/25/345006825.db2.gz IWMDYBBLKRWPFP-QGZVFWFLSA-N 1 0 285.387 3.265 10 0 CGAERO FC(F)(F)c1cccc(COC[C@H]2CCC[NH2+]C2)c1 ZINC000051815447 345092954 /nfs/dbraw/zinc/09/29/54/345092954.db2.gz XCVWFVBIGFGMQW-LBPRGKRZSA-N 1 0 273.298 3.222 10 0 CGAERO CC(C)(C)OC[C@@H](O)C[N@H+](CC1CCCCC1)C1CC1 ZINC000052244977 345101396 /nfs/dbraw/zinc/10/13/96/345101396.db2.gz JPCXGXLRUMZNAU-INIZCTEOSA-N 1 0 283.456 3.207 10 0 CGAERO OCCC[C@H]1CCC[N@@H+]1CCCOc1ccc(Cl)cc1 ZINC000052762905 345107787 /nfs/dbraw/zinc/10/77/87/345107787.db2.gz MATPXNYAFSJZSZ-OAHLLOKOSA-N 1 0 297.826 3.346 10 0 CGAERO [NH3+]C1(Cc2cc(Br)cs2)CCCC1 ZINC000053752957 345124853 /nfs/dbraw/zinc/12/48/53/345124853.db2.gz MNLXXOOZVNYHMV-UHFFFAOYSA-N 1 0 260.200 3.325 10 0 CGAERO C[C@@H](c1cccc(Cl)c1)N(C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054308336 345132403 /nfs/dbraw/zinc/13/24/03/345132403.db2.gz JTTZUJYJJZJPSO-STQMWFEESA-N 1 0 294.826 3.249 10 0 CGAERO CCCC(=[NH2+])Nc1ccccc1I ZINC000062988080 345242400 /nfs/dbraw/zinc/24/24/00/345242400.db2.gz MUOGNERWRHULGL-UHFFFAOYSA-N 1 0 288.132 3.480 10 0 CGAERO CC(C)(C)NC(=[NH2+])c1cccc(Br)c1 ZINC000062994888 345242611 /nfs/dbraw/zinc/24/26/11/345242611.db2.gz BOPSVMAKHQTCCT-UHFFFAOYSA-N 1 0 255.159 3.163 10 0 CGAERO Cc1cc2ccccc2nc1N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000063106344 345243392 /nfs/dbraw/zinc/24/33/92/345243392.db2.gz LOEITBUHXNGOEC-DZGCQCFKSA-N 1 0 269.392 3.343 10 0 CGAERO COc1ccccc1/C=C/C[N@@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000188403287 542248067 /nfs/dbraw/zinc/24/80/67/542248067.db2.gz GYMUYUVINKZHSA-BBOMDTFKSA-N 1 0 297.402 3.070 10 0 CGAERO CCn1cc([C@@H](C)[NH2+][C@@H]2CCOc3ccccc32)cn1 ZINC000044497543 232171850 /nfs/dbraw/zinc/17/18/50/232171850.db2.gz GGDMXNHZZWPANT-IUODEOHRSA-N 1 0 271.364 3.077 10 0 CGAERO C[C@H]1SCC[NH2+][C@@H]1c1ccc(Br)cc1 ZINC000070587988 345391893 /nfs/dbraw/zinc/39/18/93/345391893.db2.gz 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260.381 3.233 10 0 CGAERO Nc1ncccc1[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000616618747 348848410 /nfs/dbraw/zinc/84/84/10/348848410.db2.gz WPZMSBQZFFCMQZ-OAHLLOKOSA-N 1 0 267.376 3.043 10 0 CGAERO NC(=O)c1ccc([C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000616618317 348847275 /nfs/dbraw/zinc/84/72/75/348847275.db2.gz OEESIPRQYLCBHR-GOSISDBHSA-N 1 0 294.398 3.165 10 0 CGAERO CC[NH2+][C@H]1CCCC[C@@H]1c1nc([C@@H](C)CC)no1 ZINC000104224232 185935240 /nfs/dbraw/zinc/93/52/40/185935240.db2.gz MANNQYZHMWTWHU-SRVKXCTJSA-N 1 0 251.374 3.219 10 0 CGAERO CC(C)(C)[N@@H+]1CCOCC[C@H]1c1cccc(F)c1 ZINC000616598221 348840444 /nfs/dbraw/zinc/84/04/44/348840444.db2.gz NBAMWRPTIBYXCK-AWEZNQCLSA-N 1 0 251.345 3.388 10 0 CGAERO CNc1ccc([C@@H]2COCCC[N@@H+]2C(C)(C)C)cc1 ZINC000616596864 348840578 /nfs/dbraw/zinc/84/05/78/348840578.db2.gz JFMCDWDOWUQPPW-HNNXBMFYSA-N 1 0 262.397 3.290 10 0 CGAERO CC(C)n1c2ccc(F)cc2nc1[C@@H]1C[NH2+]C[C@@H]1C ZINC000104223657 185935943 /nfs/dbraw/zinc/93/59/43/185935943.db2.gz 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185948138 /nfs/dbraw/zinc/94/81/38/185948138.db2.gz UPTVAYLDSMJSDS-UHFFFAOYSA-N 1 0 264.756 3.071 10 0 CGAERO CCCN(CC(F)(F)F)c1ccc(CC[NH3+])cc1C ZINC000104268887 185949752 /nfs/dbraw/zinc/94/97/52/185949752.db2.gz NQDUUZAGAJNEIF-UHFFFAOYSA-N 1 0 274.330 3.275 10 0 CGAERO C[C@H]([NH2+][C@H]1CN(C)C[C@@H]1C)c1ccc(F)c(Cl)c1 ZINC000358384374 233120966 /nfs/dbraw/zinc/12/09/66/233120966.db2.gz QEMFZLCWPUQAML-BHDSKKPTSA-N 1 0 270.779 3.080 10 0 CGAERO C[C@H]([NH2+][C@H]1CN(C)C[C@H]1C)c1ccc(F)c(Cl)c1 ZINC000358384373 233121435 /nfs/dbraw/zinc/12/14/35/233121435.db2.gz QEMFZLCWPUQAML-BFVZDQMLSA-N 1 0 270.779 3.080 10 0 CGAERO CCC(CC)N(CC[NH3+])C(=O)C[C@H](C)CC(C)(C)C ZINC000104309841 185963088 /nfs/dbraw/zinc/96/30/88/185963088.db2.gz GTSZALUJESQDBU-ZDUSSCGKSA-N 1 0 270.461 3.425 10 0 CGAERO CC[C@@H]1CCCC[C@@H]1Oc1ccc2c(c1)OC[C@@H]2[NH3+] ZINC000104429034 185999620 /nfs/dbraw/zinc/99/96/20/185999620.db2.gz IONNBDFOSZOSNJ-UGFHNGPFSA-N 1 0 261.365 3.426 10 0 CGAERO CCC(CC)[C@@H](C)[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000104433235 186000211 /nfs/dbraw/zinc/00/02/11/186000211.db2.gz PRELZOLPWYPTPQ-IAQYHMDHSA-N 1 0 253.361 3.273 10 0 CGAERO CCCCCCOC[C@H](O)C[NH2+][C@H](C)C(CC)CC ZINC000104444509 186003728 /nfs/dbraw/zinc/00/37/28/186003728.db2.gz QQVHDFPQBDQBEF-GDBMZVCRSA-N 1 0 273.461 3.359 10 0 CGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCOC1CCOCC1 ZINC000625300721 350156043 /nfs/dbraw/zinc/15/60/43/350156043.db2.gz FFBSQSMWZACUPG-HYVNUMGLSA-N 1 0 283.456 3.232 10 0 CGAERO CCC[NH2+][C@@H](C)[C@@H](CC)c1nc(C(C)(C)C)no1 ZINC000109494207 186256948 /nfs/dbraw/zinc/25/69/48/186256948.db2.gz BEGHYYPMAYJVDY-WDEREUQCSA-N 1 0 253.390 3.249 10 0 CGAERO C[C@H](C[NH3+])C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000044808365 137896921 /nfs/dbraw/zinc/89/69/21/137896921.db2.gz QNJDCQSHFWEAKM-GFCCVEGCSA-N 1 0 270.332 3.012 10 0 CGAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cc(F)c(F)c(F)c1 ZINC000123414211 187090896 /nfs/dbraw/zinc/09/08/96/187090896.db2.gz XWSOTEODDPOKSA-GFCCVEGCSA-N 1 0 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[NH3+]CCc1nc(-c2ccc(Br)s2)cs1 ZINC000003708370 368517908 /nfs/dbraw/zinc/51/79/08/368517908.db2.gz XYFPAAQJODAEMB-UHFFFAOYSA-N 1 0 289.223 3.135 10 0 CGAERO CCC[NH+](CCC)[C@@H]1CCc2cccc(CO)c2C1 ZINC000013732343 368665122 /nfs/dbraw/zinc/66/51/22/368665122.db2.gz CLSQJKUQFIXCRI-MRXNPFEDSA-N 1 0 261.409 3.158 10 0 CGAERO COc1ccc2c(c1)Cc1ccccc1CC[N@@H+](C)CC2 ZINC000013684103 368660920 /nfs/dbraw/zinc/66/09/20/368660920.db2.gz PXWQDDTVMQMYJG-UHFFFAOYSA-N 1 0 281.399 3.316 10 0 CGAERO COc1ccccc1CN[C@@H]1CCC[NH2+][C@H]1c1ccccc1 ZINC000019360857 368750577 /nfs/dbraw/zinc/75/05/77/368750577.db2.gz DTQNEFOKTXXQKV-MJGOQNOKSA-N 1 0 296.414 3.278 10 0 in-vivo CGAERO Cc1cc(C)c(C)c(Oc2ccc(C(N)=[NH2+])cn2)c1 ZINC000034940046 368981787 /nfs/dbraw/zinc/98/17/87/368981787.db2.gz XWMCMMFHDJAQCM-UHFFFAOYSA-N 1 0 255.321 3.083 10 0 CGAERO OCC[NH2+]Cc1cccc(OCc2cccc(Cl)c2)c1 ZINC000033443583 368965569 /nfs/dbraw/zinc/96/55/69/368965569.db2.gz LOLXMPZPVMJHHS-UHFFFAOYSA-N 1 0 291.778 3.001 10 0 CGAERO CC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)CC(C)C ZINC000036095396 369007217 /nfs/dbraw/zinc/00/72/17/369007217.db2.gz IMQRKQZPKNYXKT-OAHLLOKOSA-N 1 0 253.361 3.055 10 0 CGAERO COc1ccc([C@@H]([NH3+])[C@H]2CCCO2)c2ccccc12 ZINC000034973371 368985652 /nfs/dbraw/zinc/98/56/52/368985652.db2.gz KWKKNPSTIXLFBV-HZPDHXFCSA-N 1 0 257.333 3.027 10 0 CGAERO Cc1ccc([C@H](C)[NH2+][C@H](CC(C)C)CN(C)C)o1 ZINC000037167152 369074855 /nfs/dbraw/zinc/07/48/55/369074855.db2.gz OBRHHPZZMPGZNZ-UONOGXRCSA-N 1 0 252.402 3.215 10 0 CGAERO COc1cccc([C@]23CCCC[C@@H]2C[N@H+](C)CC3)c1 ZINC000039398011 369151085 /nfs/dbraw/zinc/15/10/85/369151085.db2.gz NDEBTTKKQOYLNO-NVXWUHKLSA-N 1 0 259.393 3.459 10 0 CGAERO CCN1CCC[C@H]([NH2+]Cc2cc(C)c(C)cc2C)C1 ZINC000040502873 369158270 /nfs/dbraw/zinc/15/82/70/369158270.db2.gz UZFZXYYTLPDTCE-KRWDZBQOSA-N 1 0 260.425 3.186 10 0 CGAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2F)C1 ZINC000040502325 369158421 /nfs/dbraw/zinc/15/84/21/369158421.db2.gz SXJLDVDHHKQHOJ-AAEUAGOBSA-N 1 0 268.351 3.100 10 0 CGAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2ccc(C)s2)C1 ZINC000040502421 369158433 /nfs/dbraw/zinc/15/84/33/369158433.db2.gz MMHJVNMNKNMTRL-STQMWFEESA-N 1 0 252.427 3.191 10 0 CGAERO CCC[NH2+]CCSc1nc2ccccc2s1 ZINC000042407980 369220061 /nfs/dbraw/zinc/22/00/61/369220061.db2.gz MOKHRXXOFPVRMA-UHFFFAOYSA-N 1 0 252.408 3.388 10 0 CGAERO Oc1cccc2c1CC[C@H]2[NH2+]CCOc1ccccc1 ZINC000042894988 369237060 /nfs/dbraw/zinc/23/70/60/369237060.db2.gz UQCRYIPBKMMISJ-MRXNPFEDSA-N 1 0 269.344 3.048 10 0 CGAERO CCn1nc(C)c([C@H](C)[NH2+]Cc2cnc(C)s2)c1C ZINC000045172222 369276371 /nfs/dbraw/zinc/27/63/71/369276371.db2.gz YJGIPDAMBGKXOS-VIFPVBQESA-N 1 0 278.425 3.136 10 0 CGAERO OCCC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000052762331 369470498 /nfs/dbraw/zinc/47/04/98/369470498.db2.gz FHRZLCNRPAQGLO-CQSZACIVSA-N 1 0 253.773 3.077 10 0 CGAERO CCCn1cc(CC[NH3+])c2ccc(Br)cc21 ZINC000068576892 369744833 /nfs/dbraw/zinc/74/48/33/369744833.db2.gz HIERTVPPPVYDET-UHFFFAOYSA-N 1 0 281.197 3.315 10 0 CGAERO CCCCCC[NH2+]C[C@@H](O)COCCCCCC ZINC000070192155 369788863 /nfs/dbraw/zinc/78/88/63/369788863.db2.gz STCNPVJMXGSSML-OAHLLOKOSA-N 1 0 259.434 3.114 10 0 CGAERO Brc1ccc([C@H]2CCCC[NH2+]C2)cc1 ZINC000074934275 369891890 /nfs/dbraw/zinc/89/18/90/369891890.db2.gz GDBMOQICGKDTFN-NSHDSACASA-N 1 0 254.171 3.306 10 0 CGAERO C[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1CCCOc1ccccc1 ZINC000083704431 370009344 /nfs/dbraw/zinc/00/93/44/370009344.db2.gz KUBBGRMWNDGALM-IAGOWNOFSA-N 1 0 288.435 3.014 10 0 CGAERO Clc1ccc2c(n1)CC[N@@H+](Cc1ccccc1)CC2 ZINC000090493946 370061995 /nfs/dbraw/zinc/06/19/95/370061995.db2.gz NRFXDPYHBNTJJE-UHFFFAOYSA-N 1 0 272.779 3.336 10 0 CGAERO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1cc[nH]c1 ZINC000092101020 370092716 /nfs/dbraw/zinc/09/27/16/370092716.db2.gz KWUDRXASIRKLNK-UHFFFAOYSA-N 1 0 294.402 3.469 10 0 CGAERO COc1c(C)cc(C[NH+]2CCC(c3cc[nH]n3)CC2)cc1C ZINC000092810780 370101831 /nfs/dbraw/zinc/10/18/31/370101831.db2.gz OMICZKQCWRZXGA-UHFFFAOYSA-N 1 0 299.418 3.415 10 0 CGAERO Cn1nccc1C1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000092810240 370102027 /nfs/dbraw/zinc/10/20/27/370102027.db2.gz ZRJVYCWKWOXTEF-UHFFFAOYSA-N 1 0 291.345 3.078 10 0 CGAERO C[C@H](c1ccc[nH]1)[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000095089000 370173265 /nfs/dbraw/zinc/17/32/65/370173265.db2.gz MNKAZRDVHHNGIH-GFCCVEGCSA-N 1 0 293.411 3.065 10 0 CGAERO Brc1cccc(OCCCC2CC[NH2+]CC2)n1 ZINC000095092361 370173276 /nfs/dbraw/zinc/17/32/76/370173276.db2.gz IHCMQWQJMMRJMG-UHFFFAOYSA-N 1 0 299.212 3.003 10 0 CGAERO Fc1ccccc1NC1CC[NH+](Cc2cncs2)CC1 ZINC000093607877 370146174 /nfs/dbraw/zinc/14/61/74/370146174.db2.gz XWYUHDTYZRWGPT-UHFFFAOYSA-N 1 0 291.395 3.359 10 0 CGAERO O[C@H]1CC[C@@](c2ccccc2)([NH+]2CCCCC2)CC1 ZINC000101152358 370287062 /nfs/dbraw/zinc/28/70/62/370287062.db2.gz KPRUAZBLIREHPD-CALCHBBNSA-N 1 0 259.393 3.303 10 0 in-vitro CGAERO C[N@H+](CCc1c(F)cccc1Cl)C[C@@H]1CCCO1 ZINC000102769948 370310367 /nfs/dbraw/zinc/31/03/67/370310367.db2.gz MXIZPOOGFIVULR-NSHDSACASA-N 1 0 271.763 3.132 10 0 CGAERO C[C@@H]([NH2+][C@H]1CCCOC1)c1ccc(F)cc1Cl ZINC000103959429 370334941 /nfs/dbraw/zinc/33/49/41/370334941.db2.gz ZVOJANCTOFIWCX-KOLCDFICSA-N 1 0 257.736 3.309 10 0 CGAERO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000116298899 370554685 /nfs/dbraw/zinc/55/46/85/370554685.db2.gz ZUQFHBLMQPMKAG-OAHLLOKOSA-N 1 0 285.343 3.403 10 0 CGAERO O[C@H](C[N@@H+]1CCC[C@@H]1c1ccco1)c1ccccc1 ZINC000116293844 370554960 /nfs/dbraw/zinc/55/49/60/370554960.db2.gz PELPLMSKOSRCAB-HUUCEWRRSA-N 1 0 257.333 3.150 10 0 CGAERO C[C@H](C[NH+]1CCC(Cn2cccn2)CC1)c1ccccc1 ZINC000116878904 370572150 /nfs/dbraw/zinc/57/21/50/370572150.db2.gz CJKAWZKNRFUVLI-MRXNPFEDSA-N 1 0 283.419 3.399 10 0 CGAERO C[C@@H]1CCCC[C@H]1c1nc(C2([NH3+])CCCCC2)no1 ZINC000331693699 204081512 /nfs/dbraw/zinc/08/15/12/204081512.db2.gz UDRNCOUZSWWIPH-VXGBXAGGSA-N 1 0 263.385 3.481 10 0 CGAERO Cn1cc([C@@H]2CC[N@@H+]([C@@H]3CCCc4ccc(F)cc43)C2)cn1 ZINC000132916096 371212814 /nfs/dbraw/zinc/21/28/14/371212814.db2.gz CNUNKMQIAYVYEF-RDTXWAMCSA-N 1 0 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CNUNKMQIAYVYEF-KSSFIOAISA-N 1 0 299.393 3.426 10 0 CGAERO COc1ccc([C@@H](C)C[N@@H+]2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000245864993 376920445 /nfs/dbraw/zinc/92/04/45/376920445.db2.gz PRSCYINDFXRJOZ-KSSFIOAISA-N 1 0 299.418 3.369 10 0 CGAERO Cc1cc(C[C@@H](C)[NH2+][C@H]2c3cc(C)ccc3C[C@H]2C)[nH]n1 ZINC000246050717 376958456 /nfs/dbraw/zinc/95/84/56/376958456.db2.gz YBAVPZVQTXWPPD-SNUQEOBHSA-N 1 0 283.419 3.481 10 0 CGAERO CCc1nccn1[C@@H]1CCC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC000246393827 377022268 /nfs/dbraw/zinc/02/22/68/377022268.db2.gz PWZKBWJTQGKJMV-HUUCEWRRSA-N 1 0 284.407 3.239 10 0 CGAERO CCOCC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000246448434 377032000 /nfs/dbraw/zinc/03/20/00/377032000.db2.gz FCHHTEXAYUWECF-LSDHHAIUSA-N 1 0 297.464 3.453 10 0 CGAERO Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H]3C=CCCC3)C2)n1 ZINC000246292319 377005538 /nfs/dbraw/zinc/00/55/38/377005538.db2.gz VDURVPIWPVDMSV-JKSUJKDBSA-N 1 0 271.408 3.233 10 0 CGAERO C[C@@H]1CC[N@H+](Cc2nc(-c3ccoc3)no2)C[C@@H](C)C1 ZINC000246949815 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C[C@H]([NH2+][C@H]1Cc2ccccc2[C@H]1O)c1cc(F)ccc1F ZINC000247978421 377252022 /nfs/dbraw/zinc/25/20/22/377252022.db2.gz IBXBOFNESLLLFK-PZDALLCQSA-N 1 0 289.325 3.274 10 0 CGAERO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000248046438 377260984 /nfs/dbraw/zinc/26/09/84/377260984.db2.gz NCBFPUDPCHHOKY-MSOLQXFVSA-N 1 0 294.398 3.170 10 0 CGAERO CC(C)(C)OC(=O)CCCC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000248465344 377326162 /nfs/dbraw/zinc/32/61/62/377326162.db2.gz ROLMFQOXKAWBHY-HUUCEWRRSA-N 1 0 297.439 3.142 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)c1ccoc1 ZINC000248163671 377274367 /nfs/dbraw/zinc/27/43/67/377274367.db2.gz SODJQMNYHDPTCC-RVKKMQEKSA-N 1 0 299.418 3.236 10 0 CGAERO Cn1cc([C@H]2CC[N@@H+]([C@H]3CCc4ccc(F)cc43)C2)cn1 ZINC000248348063 377293108 /nfs/dbraw/zinc/29/31/08/377293108.db2.gz OCUMMNDUIMACFS-GUYCJALGSA-N 1 0 285.366 3.036 10 0 CGAERO C[C@@H](c1cccc(F)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248359176 377294047 /nfs/dbraw/zinc/29/40/47/377294047.db2.gz 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COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CCCCC[C@H]2O)c1 ZINC000252855793 377666908 /nfs/dbraw/zinc/66/69/08/377666908.db2.gz HQXXWGBHNBPYPL-VBNZEHGJSA-N 1 0 293.407 3.048 10 0 CGAERO CN1CCO[C@H](C[NH2+][C@H]2CCCC[C@H]2C2CCCCC2)C1 ZINC000252542102 377638743 /nfs/dbraw/zinc/63/87/43/377638743.db2.gz FOJQMXZOKCZQAR-SQNIBIBYSA-N 1 0 294.483 3.046 10 0 CGAERO C[C@H]1CC[C@@]1([NH3+])Cc1ccsc1Br ZINC000575557819 377917977 /nfs/dbraw/zinc/91/79/77/377917977.db2.gz UXULLOCZBNJRIX-OIBJUYFYSA-N 1 0 260.200 3.181 10 0 CGAERO CC1(C)CC[C@]1([NH3+])c1cscc1Br ZINC000575561197 377917989 /nfs/dbraw/zinc/91/79/89/377917989.db2.gz PDDBXEGHAZHTCU-JTQLQIEISA-N 1 0 260.200 3.485 10 0 CGAERO C[C@@H]1C[C@@H]1[C@](C)([NH3+])c1cscc1Br ZINC000575569884 377919057 /nfs/dbraw/zinc/91/90/57/377919057.db2.gz REWVHCUTJZPEMY-FWWHASMVSA-N 1 0 260.200 3.341 10 0 CGAERO C[NH2+][C@@H](C)c1ccc(Br)c(F)c1F ZINC000575520888 377915845 /nfs/dbraw/zinc/91/58/45/377915845.db2.gz UNVCFXBIBUXFTB-YFKPBYRVSA-N 1 0 250.086 3.008 10 0 CGAERO 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280.799 3.048 10 0 CGAERO C[C@@H]1CC(C[NH2+]C/C=C/c2ccccc2)C[C@@H](C)O1 ZINC000282335935 379900733 /nfs/dbraw/zinc/90/07/33/379900733.db2.gz UQUPLVJYYUCHFN-VOTDVEDPSA-N 1 0 259.393 3.493 10 0 CGAERO Cc1cc(C[NH2+][C@H]2CCCC[C@@H]2CO)c(C)s1 ZINC000230197231 542303568 /nfs/dbraw/zinc/30/35/68/542303568.db2.gz NWDBNFGZWQRLAT-OCCSQVGLSA-N 1 0 253.411 3.006 10 0 CGAERO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)cc1Cl ZINC000235855149 542313378 /nfs/dbraw/zinc/31/33/78/542313378.db2.gz LOFZJSKGXGMUOW-CHWSQXEVSA-N 1 0 253.773 3.042 10 0 CGAERO COc1ccc(F)cc1-c1ccc2c(c1)CC[C@@H]2[NH3+] ZINC000234875900 542309539 /nfs/dbraw/zinc/30/95/39/542309539.db2.gz GPQWXFSAPICIMS-HNNXBMFYSA-N 1 0 257.308 3.447 10 0 CGAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1 ZINC000246250787 542326281 /nfs/dbraw/zinc/32/62/81/542326281.db2.gz PLNFAYIFJAFDPG-DQYPLSBCSA-N 1 0 276.399 3.131 10 0 CGAERO Cc1ccccc1[C@@H](c1ccccc1)[C@H](O)C[NH+](C)C ZINC000039245476 184544939 /nfs/dbraw/zinc/54/49/39/184544939.db2.gz QSRRIHWNLZIBTH-QZTJIDSGSA-N 1 0 269.388 3.049 10 0 CGAERO C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1cc(F)ccc1F ZINC000252216158 542349681 /nfs/dbraw/zinc/34/96/81/542349681.db2.gz ZGFNWFFBNFSVIG-CKYFFXLPSA-N 1 0 255.308 3.183 10 0 CGAERO COc1cc([C@H](C)[NH2+][C@@H](CC(C)C)CN(C)C)ccc1F ZINC000153576502 533131197 /nfs/dbraw/zinc/13/11/97/533131197.db2.gz CBRIFCBIOQJXKK-ZFWWWQNUSA-N 1 0 296.430 3.461 10 0 CGAERO COC[C@@H]([NH2+]CC1(SC)CCC1)c1ccccc1 ZINC000234691696 285234160 /nfs/dbraw/zinc/23/41/60/285234160.db2.gz JTBZRLJWEOFREC-CQSZACIVSA-N 1 0 265.422 3.249 10 0 CGAERO CC(C)[C@@H](C[NH2+]C[C@H](O)C(C)(C)C)c1ccccc1 ZINC000324599279 542442911 /nfs/dbraw/zinc/44/29/11/542442911.db2.gz IDAQKDQHOCEDRZ-CVEARBPZSA-N 1 0 263.425 3.423 10 0 CGAERO COc1ccc(OC)c(CCC[NH2+]C(C)(C)C)c1 ZINC000080392230 177649910 /nfs/dbraw/zinc/64/99/10/177649910.db2.gz MZUZIPUCGFAPOM-UHFFFAOYSA-N 1 0 251.370 3.025 10 0 CGAERO C[C@H]([NH2+][C@H]1CCOc2ccccc21)[C@@H]1CCCCO1 ZINC000379163008 542593229 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CC[C@@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccccc1 ZINC000105802427 392295147 /nfs/dbraw/zinc/29/51/47/392295147.db2.gz DKHHZNWWOAEFCS-DLBZAZTESA-N 1 0 296.418 3.186 10 0 CGAERO C[C@@H](c1ccccc1)[NH+]1CCC(Cn2cccn2)CC1 ZINC000106185812 392299886 /nfs/dbraw/zinc/29/98/86/392299886.db2.gz VAIWGGRJDFEHPP-HNNXBMFYSA-N 1 0 269.392 3.356 10 0 CGAERO Cc1cnn([C@H]2CCC[N@H+](CCc3ccccc3)C2)c1 ZINC000106223508 392300182 /nfs/dbraw/zinc/30/01/82/392300182.db2.gz CTYWNASBDUJAGT-KRWDZBQOSA-N 1 0 269.392 3.071 10 0 CGAERO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]([C@H](C)c3ccccc3)C2)n1 ZINC000247199905 131101560 /nfs/dbraw/zinc/10/15/60/131101560.db2.gz OVIHCTHKOLMXEU-RHSMWYFYSA-N 1 0 298.434 3.368 10 0 CGAERO O[C@]12CCCC[C@H]1C[N@H+](Cc1cccc3cccnc31)CC2 ZINC000248046776 131109755 /nfs/dbraw/zinc/10/97/55/131109755.db2.gz VJGWAYHIDVSEAZ-HKUYNNGSSA-N 1 0 296.414 3.362 10 0 CGAERO CCO[C@H]1C[C@H]([N@H+](C)CCCCCOC)C12CCCC2 ZINC000121118344 392408282 /nfs/dbraw/zinc/40/82/82/392408282.db2.gz MSXOFJLMRHVARO-HOTGVXAUSA-N 1 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YMWKTSOBYODTKF-LSDHHAIUSA-N 1 0 298.386 3.132 10 0 CGAERO CCn1nc(C)c([C@@H](C)[NH2+]C[C@H](C)CC(F)F)c1C ZINC000647318751 392663004 /nfs/dbraw/zinc/66/30/04/392663004.db2.gz ZKEAILSPOWBSNH-NXEZZACHSA-N 1 0 273.371 3.462 10 0 CGAERO Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000191861542 392835283 /nfs/dbraw/zinc/83/52/83/392835283.db2.gz NEMZCLXABMCTNQ-NUTKFTJISA-N 1 0 285.391 3.147 10 0 CGAERO CCSc1cccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000648082940 392910767 /nfs/dbraw/zinc/91/07/67/392910767.db2.gz LVYDUAXNWNDJEV-FZMZJTMJSA-N 1 0 278.421 3.112 10 0 CGAERO CCC[N@@H+](Cc1ccccc1)C[C@H]1CCC[C@@H](O)C1 ZINC000383787107 392923830 /nfs/dbraw/zinc/92/38/30/392923830.db2.gz LZQFDRRKNZUVJY-DLBZAZTESA-N 1 0 261.409 3.450 10 0 CGAERO CCCCOC[C@H](O)C[N@H+](CC1CC1)C1CCCCC1 ZINC000195175146 392961578 /nfs/dbraw/zinc/96/15/78/392961578.db2.gz PEGLLOHRBRVAEU-QGZVFWFLSA-N 1 0 283.456 3.209 10 0 CGAERO CC[C@@H]1CCCC[N@@H+]1Cc1nc2oc(C)c(C)c2c(N)n1 ZINC000407950503 392969729 /nfs/dbraw/zinc/96/97/29/392969729.db2.gz JRNLJCVNUJMEII-GFCCVEGCSA-N 1 0 288.395 3.186 10 0 CGAERO Cc1ccc(N2CC[NH2+]C[C@H]2C(C)C)c(Cl)c1 ZINC000083394376 135018594 /nfs/dbraw/zinc/01/85/94/135018594.db2.gz OQIRJDFGZLAQIJ-AWEZNQCLSA-N 1 0 252.789 3.083 10 0 CGAERO CC[C@H]1C[NH2+][C@@H](C)CN1c1cc(Cl)ccc1F ZINC000083418418 135020572 /nfs/dbraw/zinc/02/05/72/135020572.db2.gz CYCRQLNFZSBPPR-ONGXEEELSA-N 1 0 256.752 3.056 10 0 CGAERO CCc1ccc(N2C[C@H](C(C)C)[NH2+]C[C@@H]2CC)cc1 ZINC000083441682 135021509 /nfs/dbraw/zinc/02/15/09/135021509.db2.gz NKSXLROBBAXBNT-DOTOQJQBSA-N 1 0 260.425 3.462 10 0 CGAERO CC[C@H]1C[NH2+][C@@H](C)CN1c1cccc(C(F)(F)F)c1 ZINC000083535424 135027307 /nfs/dbraw/zinc/02/73/07/135027307.db2.gz MPQCJZZIHVTOER-JQWIXIFHSA-N 1 0 272.314 3.282 10 0 CGAERO C[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)[C@@H](C[NH3+])C1 ZINC000261599189 296530150 /nfs/dbraw/zinc/53/01/50/296530150.db2.gz SERQMSLIAWJHQZ-DRRXZNNHSA-N 1 0 292.467 3.179 10 0 CGAERO COc1cccc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1F ZINC000669685159 543117257 /nfs/dbraw/zinc/11/72/57/543117257.db2.gz ZZCFTFPCSIXTOU-CLLJXQQHSA-N 1 0 281.371 3.128 10 0 CGAERO CC[NH+](CC)[C@@H](C)CNC(=O)CCc1cccc(Cl)c1 ZINC000041915829 397612425 /nfs/dbraw/zinc/61/24/25/397612425.db2.gz ANNOTVWDYTWISV-ZDUSSCGKSA-N 1 0 296.842 3.119 10 0 CGAERO O[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H](c3ccccc3)C2)C1 ZINC000389113744 397691456 /nfs/dbraw/zinc/69/14/56/397691456.db2.gz QEBXBRMKMVERBP-BHYGNILZSA-N 1 0 259.393 3.027 10 0 CGAERO FC1(F)CCCC[C@@H]1CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000394658113 397695484 /nfs/dbraw/zinc/69/54/84/397695484.db2.gz NCDLMUIGSZHMDB-QLFBSQMISA-N 1 0 286.410 3.418 10 0 CGAERO CN1CC[C@@H]([NH3+])C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000675055788 543311763 /nfs/dbraw/zinc/31/17/63/543311763.db2.gz YESNNNGQMYZEHR-NEPJUHHUSA-N 1 0 259.180 3.087 10 0 CGAERO C[NH+](C)Cc1ccc(-c2ccc(F)c(N)c2F)cc1 ZINC000675059067 543312347 /nfs/dbraw/zinc/31/23/47/543312347.db2.gz JBJHAOLLNCMZIR-UHFFFAOYSA-N 1 0 262.303 3.276 10 0 CGAERO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1nc(C)c(C)s1 ZINC000674875931 543302325 /nfs/dbraw/zinc/30/23/25/543302325.db2.gz XTFXTNWQVOMUBZ-HUUCEWRRSA-N 1 0 293.480 3.209 10 0 CGAERO C[C@H]1CN(C)C[C@@H]1[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000674880125 543303311 /nfs/dbraw/zinc/30/33/11/543303311.db2.gz GKDJLWNSOLWWNO-WIRQWFGLSA-N 1 0 278.827 3.126 10 0 CGAERO C[C@H]([NH2+][C@@H]1CN(C)C[C@@H]1C)c1ccc2ccccc2c1 ZINC000675725846 543358154 /nfs/dbraw/zinc/35/81/54/543358154.db2.gz LNMBKSKARDVNRH-SUNYJGFJSA-N 1 0 268.404 3.441 10 0 CGAERO C[C@@H]1C[C@@H]([NH2+][C@H](CO)Cc2ccccc2)CC(C)(C)C1 ZINC000063217947 286962337 /nfs/dbraw/zinc/96/23/37/286962337.db2.gz QYKPHMMRNLHDSG-OIISXLGYSA-N 1 0 275.436 3.394 10 0 CGAERO C[C@@H]([NH2+]CCC1(C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000492748170 287021631 /nfs/dbraw/zinc/02/16/31/287021631.db2.gz NLRCJXIJNWFGIU-ZIAGYGMSSA-N 1 0 296.455 3.412 10 0 CGAERO CCC(C)(C)C1CCC(NC(=O)[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000085359827 287081769 /nfs/dbraw/zinc/08/17/69/287081769.db2.gz ZWXKSPKNCRYSQO-NEXFUWMNSA-N 1 0 280.456 3.225 10 0 CGAERO [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000085356269 287082019 /nfs/dbraw/zinc/08/20/19/287082019.db2.gz KBUOAJFPTMNLLV-LDYMZIIASA-N 1 0 273.163 3.059 10 0 CGAERO C[C@H]1CCC[C@@H](CC[NH+]2CCC(n3cncn3)CC2)C1 ZINC000089122693 165198007 /nfs/dbraw/zinc/19/80/07/165198007.db2.gz LGMTXEBLNSPNDX-GJZGRUSLSA-N 1 0 276.428 3.131 10 0 CGAERO Cc1noc(CC[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)n1 ZINC000089518459 165210167 /nfs/dbraw/zinc/21/01/67/165210167.db2.gz ILOSHOJEOKLVOR-STQMWFEESA-N 1 0 265.401 3.115 10 0 CGAERO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1[C@@H]2CCCC[C@@H]2C1(C)C ZINC000090223756 165232384 /nfs/dbraw/zinc/23/23/84/165232384.db2.gz WFNNGBIHEMXRKO-QPSCCSFWSA-N 1 0 288.439 3.226 10 0 CGAERO Cc1cc(C)n(CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000090474226 165236042 /nfs/dbraw/zinc/23/60/42/165236042.db2.gz AQHPDXMLCUPZFB-UHFFFAOYSA-N 1 0 283.419 3.412 10 0 CGAERO CCOc1cccc(C[NH2+]Cc2cccn2CC)c1 ZINC000091025401 165254150 /nfs/dbraw/zinc/25/41/50/165254150.db2.gz JPQAXBFLUSWGDM-UHFFFAOYSA-N 1 0 258.365 3.197 10 0 CGAERO C[NH2+]Cc1cccc(NC(=O)[C@@H]2Cc3ccccc3S2)c1 ZINC000092231765 165286833 /nfs/dbraw/zinc/28/68/33/165286833.db2.gz FYFVRKWBOKSXKD-INIZCTEOSA-N 1 0 298.411 3.062 10 0 CGAERO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cc1c(C)nn(C)c1OC ZINC000093845198 165340361 /nfs/dbraw/zinc/34/03/61/165340361.db2.gz GAJYKNJPHGNYFS-DOMZBBRYSA-N 1 0 279.428 3.138 10 0 CGAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(C2CC2)c1 ZINC000094520104 165352556 /nfs/dbraw/zinc/35/25/56/165352556.db2.gz QYDPOSINWXQTNG-IAGOWNOFSA-N 1 0 259.393 3.205 10 0 CGAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000094520108 165352616 /nfs/dbraw/zinc/35/26/16/165352616.db2.gz DHRALWWODDAWKX-IAGOWNOFSA-N 1 0 259.393 3.205 10 0 CGAERO CC[C@@H](C)[C@H]([NH3+])C(=O)NCC1(CC(C)C)CCCC1 ZINC000094875910 165395259 /nfs/dbraw/zinc/39/52/59/165395259.db2.gz GPNUTGVBPFCUIU-KGLIPLIRSA-N 1 0 268.445 3.083 10 0 CGAERO Cc1cscc1C[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000094877090 165395788 /nfs/dbraw/zinc/39/57/88/165395788.db2.gz FGNWQWDCXXPGNO-CQSZACIVSA-N 1 0 286.400 3.254 10 0 CGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)C1CCCCC1)CC2 ZINC000177275011 165615084 /nfs/dbraw/zinc/61/50/84/165615084.db2.gz OOBHYWQZDPWXQA-DZGCQCFKSA-N 1 0 290.455 3.275 10 0 CGAERO COCCC[C@@H](C)[NH2+]C[C@@H]1CCN(C)c2ccccc21 ZINC000180017969 165649797 /nfs/dbraw/zinc/64/97/97/165649797.db2.gz ADBFAIARFXIQBJ-CABCVRRESA-N 1 0 276.424 3.015 10 0 CGAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CC[C@H](C)[S@](C)=O ZINC000252728423 165805368 /nfs/dbraw/zinc/80/53/68/165805368.db2.gz BJJXARWUROBLRK-VTWRMFPLSA-N 1 0 273.486 3.194 10 0 CGAERO CC[NH+](CC)CCOCCc1ccccc1Cl ZINC000003610061 169901979 /nfs/dbraw/zinc/90/19/79/169901979.db2.gz AVLBVHWRVIWBGZ-UHFFFAOYSA-N 1 0 255.789 3.241 10 0 CGAERO [NH3+]CC[C@@H]1CN(C(=O)OCc2ccccc2)c2ccccc21 ZINC000005923595 170155869 /nfs/dbraw/zinc/15/58/69/170155869.db2.gz URDVEFGFRDCRIU-OAHLLOKOSA-N 1 0 296.370 3.276 10 0 CGAERO COc1cc(Cl)ccc1C(=O)CC[NH+]1CCCCC1 ZINC000005999051 170166562 /nfs/dbraw/zinc/16/65/62/170166562.db2.gz NCEQQEGJXPIDHT-UHFFFAOYSA-N 1 0 281.783 3.407 10 0 CGAERO COc1ccccc1Cc1nc2c(s1)[C@@H]([NH3+])CCC2 ZINC000011850401 170447758 /nfs/dbraw/zinc/44/77/58/170447758.db2.gz QJDJQXRXAIJCFK-NSHDSACASA-N 1 0 274.389 3.079 10 0 CGAERO C[C@H]([NH3+])c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1 ZINC000019392803 170781844 /nfs/dbraw/zinc/78/18/44/170781844.db2.gz RQRGCIFOIRCANI-VIFPVBQESA-N 1 0 276.286 3.237 10 0 CGAERO CCC[NH+]1CCC(Nc2ccc(F)cc2F)CC1 ZINC000019951798 170939857 /nfs/dbraw/zinc/93/98/57/170939857.db2.gz SFGONZZUOGUTFR-UHFFFAOYSA-N 1 0 254.324 3.251 10 0 CGAERO [NH3+][C@H](Cc1ccc(F)cc1)c1ccc2c(c1)OCCCO2 ZINC000019968009 170949882 /nfs/dbraw/zinc/94/98/82/170949882.db2.gz OLJFAJKSWLFKFH-OAHLLOKOSA-N 1 0 287.334 3.230 10 0 CGAERO Cc1cc(C)cc([C@@H]([NH3+])c2ccc3c(c2)CCC(=O)N3)c1 ZINC000019968236 170950410 /nfs/dbraw/zinc/95/04/10/170950410.db2.gz NQBAJNVAHDVIPI-SFHVURJKSA-N 1 0 280.371 3.236 10 0 CGAERO [NH3+][C@H](CCN1CCc2ccccc21)c1ccccc1 ZINC000020073420 170983888 /nfs/dbraw/zinc/98/38/88/170983888.db2.gz PQLNUNHHNIAGKW-MRXNPFEDSA-N 1 0 252.361 3.139 10 0 CGAERO COc1cc([C@H](C)[NH2+][C@@H](C)c2ccncc2)ccc1O ZINC000020121410 171000626 /nfs/dbraw/zinc/00/06/26/171000626.db2.gz YGSGWUBUZDBULL-RYUDHWBXSA-N 1 0 272.348 3.208 10 0 CGAERO C[C@@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1cccnc1 ZINC000020129346 171016895 /nfs/dbraw/zinc/01/68/95/171016895.db2.gz ZGJZJMITLODXAH-RHSMWYFYSA-N 1 0 269.392 3.035 10 0 CGAERO CCCCC[NH2+]Cc1ccc(N2CCCC2=O)cc1 ZINC000020129537 171018365 /nfs/dbraw/zinc/01/83/65/171018365.db2.gz XRMSMQYDOSQRSZ-UHFFFAOYSA-N 1 0 260.381 3.093 10 0 CGAERO CC[C@@H]([NH2+]C[C@@H](C(C)C)N(C)C)c1cccs1 ZINC000020145957 171031709 /nfs/dbraw/zinc/03/17/09/171031709.db2.gz SBVWCVUHNYLOIR-OLZOCXBDSA-N 1 0 254.443 3.375 10 0 CGAERO Cc1cccc(CN(C)[C@H](C[NH3+])c2cccc(C)c2)c1 ZINC000020225487 171088540 /nfs/dbraw/zinc/08/85/40/171088540.db2.gz PACJOHQDRSSCCA-GOSISDBHSA-N 1 0 268.404 3.435 10 0 CGAERO Cc1ccccc1[C@H](C[NH3+])N1CCc2ccccc2C1 ZINC000020225423 171088743 /nfs/dbraw/zinc/08/87/43/171088743.db2.gz ABZGUABUKNWOAU-SFHVURJKSA-N 1 0 266.388 3.053 10 0 CGAERO Cc1ccccc1CN(C)[C@@H](C[NH3+])c1ccccc1 ZINC000020225368 171089009 /nfs/dbraw/zinc/08/90/09/171089009.db2.gz YWJMAPHFNVNTDK-KRWDZBQOSA-N 1 0 254.377 3.127 10 0 CGAERO CCCN(C)[C@H](C[NH3+])c1cccc(Cl)c1Cl ZINC000020226729 171091965 /nfs/dbraw/zinc/09/19/65/171091965.db2.gz PMBWCQGVWGHFKR-LLVKDONJSA-N 1 0 261.196 3.335 10 0 CGAERO [NH3+]C[C@H](c1ccc(Cl)cc1Cl)N1CCSCC1 ZINC000020257071 171111592 /nfs/dbraw/zinc/11/15/92/171111592.db2.gz BLVHICZYWPBLRY-GFCCVEGCSA-N 1 0 291.247 3.042 10 0 CGAERO CC(C)c1nccn1[C@H]1CCc2ccccc2[C@@H]1[NH3+] ZINC000020261725 171119374 /nfs/dbraw/zinc/11/93/74/171119374.db2.gz NZAQQMVOGAOGFH-GJZGRUSLSA-N 1 0 255.365 3.194 10 0 CGAERO NC(=S)c1ccc(C[NH+]2CCCCCCC2)cc1 ZINC000020265941 171122867 /nfs/dbraw/zinc/12/28/67/171122867.db2.gz CLIMOUAZFQQSMU-UHFFFAOYSA-N 1 0 262.422 3.087 10 0 CGAERO Cc1nc(Cc2cccc(Cl)c2)sc1C[NH3+] ZINC000020273792 171130706 /nfs/dbraw/zinc/13/07/06/171130706.db2.gz KVKTUSSGKKDNOZ-UHFFFAOYSA-N 1 0 252.770 3.154 10 0 CGAERO NC(=[NH2+])c1ccc(COc2cccc3cccnc32)cc1 ZINC000020297110 171137596 /nfs/dbraw/zinc/13/75/96/171137596.db2.gz PMWFAKGNZOZEOF-UHFFFAOYSA-N 1 0 277.327 3.098 10 0 CGAERO NC(=[NH2+])c1ccc(Oc2cccc3cccnc32)cc1 ZINC000020297083 171137702 /nfs/dbraw/zinc/13/77/02/171137702.db2.gz OFLJSOAIXCIZNC-UHFFFAOYSA-N 1 0 263.300 3.311 10 0 CGAERO CCC[C@H](C)NC(=O)[C@H](C)[NH2+]C1CCCCCCC1 ZINC000020365577 171164372 /nfs/dbraw/zinc/16/43/72/171164372.db2.gz ZDFUOWQSTUZEJG-KBPBESRZSA-N 1 0 268.445 3.382 10 0 CGAERO [NH3+][C@@H](Cc1ccccn1)c1c(F)cccc1Cl ZINC000020429034 171193941 /nfs/dbraw/zinc/19/39/41/171193941.db2.gz LKKWXRCWRDLFSP-LBPRGKRZSA-N 1 0 250.704 3.117 10 0 CGAERO CC(C)Oc1ccc(NC(=O)[C@H]([NH3+])c2ccccc2)cc1 ZINC000020473147 171216413 /nfs/dbraw/zinc/21/64/13/171216413.db2.gz BITWISWALJNMEC-MRXNPFEDSA-N 1 0 284.359 3.112 10 0 CGAERO CC(C)c1cccc(NC(=O)[C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000020475675 171220056 /nfs/dbraw/zinc/22/00/56/171220056.db2.gz SHHHRPFVJSBLSH-GXTWGEPZSA-N 1 0 260.381 3.137 10 0 CGAERO CCC(C)(C)O[C@@H]1CCc2cc(OC)ccc2[C@@H]1[NH3+] ZINC000020511733 171231253 /nfs/dbraw/zinc/23/12/53/171231253.db2.gz ARIMEQJATWZSBK-CABCVRRESA-N 1 0 263.381 3.215 10 0 CGAERO CCCCOCCOc1cccc(F)c1[C@@H](C)[NH3+] ZINC000020516997 171232873 /nfs/dbraw/zinc/23/28/73/171232873.db2.gz GINYXZLCFTVAFH-LLVKDONJSA-N 1 0 255.333 3.041 10 0 CGAERO Cc1ccc(COc2cccc(C[NH2+]C[C@H](C)O)c2)cc1 ZINC000020874456 171277247 /nfs/dbraw/zinc/27/72/47/171277247.db2.gz QAPKFUACCYOWJI-HNNXBMFYSA-N 1 0 285.387 3.044 10 0 CGAERO Cc1ccc(COc2ccccc2C[NH2+]CCN(C)C)cc1 ZINC000020873663 171277451 /nfs/dbraw/zinc/27/74/51/171277451.db2.gz RWFWJVHUMJZAMQ-UHFFFAOYSA-N 1 0 298.430 3.225 10 0 CGAERO CC1CC[NH+]([C@H]2C[C@H](C(C)(C)C)CC[C@@H]2N)CC1 ZINC000021805098 171327011 /nfs/dbraw/zinc/32/70/11/171327011.db2.gz ANKYCEOCRDQYOH-ILXRZTDVSA-N 1 0 252.446 3.260 10 0 CGAERO C[C@H]([NH3+])c1ccccc1NC(=O)Nc1ccccc1F ZINC000022165173 171365632 /nfs/dbraw/zinc/36/56/32/171365632.db2.gz OCNXPOKKWNDZRB-JTQLQIEISA-N 1 0 273.311 3.489 10 0 CGAERO COc1ccc2cc([C@H](C[NH3+])N3CCCCC3)ccc2c1 ZINC000022211425 171373706 /nfs/dbraw/zinc/37/37/06/171373706.db2.gz XTECAPWRUJLTJU-SFHVURJKSA-N 1 0 284.403 3.334 10 0 CGAERO CC[C@@H]([NH2+]C)c1ccc(OCc2ccccn2)cc1 ZINC000034822668 171876321 /nfs/dbraw/zinc/87/63/21/171876321.db2.gz UJIYNTAMDWBPGH-MRXNPFEDSA-N 1 0 256.349 3.331 10 0 CGAERO COc1cc(OC)c([C@@H]([NH3+])c2ccc(C)s2)cc1OC ZINC000034956938 171902463 /nfs/dbraw/zinc/90/24/63/171902463.db2.gz UDRFNZLBXCTYJN-OAHLLOKOSA-N 1 0 293.388 3.130 10 0 CGAERO C[NH2+]Cc1ccc(-c2ccccc2Br)o1 ZINC000035163319 172024089 /nfs/dbraw/zinc/02/40/89/172024089.db2.gz NMRCQWBPDSOXLY-UHFFFAOYSA-N 1 0 266.138 3.429 10 0 CGAERO Cc1ccccc1NC(=O)C[NH2+][C@H]1CCc2ccccc21 ZINC000035180532 172034301 /nfs/dbraw/zinc/03/43/01/172034301.db2.gz CXIIWJVDVJVEJS-KRWDZBQOSA-N 1 0 280.371 3.211 10 0 CGAERO C[C@@H]1C[NH+]=C(NC23CC4CC(CC(C4)C2)C3)S1 ZINC000035294404 172105835 /nfs/dbraw/zinc/10/58/35/172105835.db2.gz KGSXHIDYZQSFHZ-GVDDXCRBSA-N 1 0 250.411 3.036 10 0 CGAERO CCCOc1ccc(C[NH2+]C)c(O[C@@H](C)CC)c1 ZINC000035414100 172187688 /nfs/dbraw/zinc/18/76/88/172187688.db2.gz ZGTOQEFQRIOOFS-LBPRGKRZSA-N 1 0 251.370 3.372 10 0 CGAERO [NH3+]Cc1c(Oc2ccc(Cl)cc2)nc2ccccn21 ZINC000035450210 172204499 /nfs/dbraw/zinc/20/44/99/172204499.db2.gz SLDDVDLRBGTTKH-UHFFFAOYSA-N 1 0 273.723 3.239 10 0 CGAERO C[NH2+][C@H](c1sccc1C)c1ccc(OC)c(OC)c1 ZINC000035463087 172210552 /nfs/dbraw/zinc/21/05/52/172210552.db2.gz HLDSKLDFNMXKPF-AWEZNQCLSA-N 1 0 277.389 3.383 10 0 CGAERO C[NH2+][C@@H](c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000035463714 172211691 /nfs/dbraw/zinc/21/16/91/172211691.db2.gz RRYICNAUHQOQMP-AWEZNQCLSA-N 1 0 251.251 3.413 10 0 CGAERO C[NH2+][C@H](c1ccc(F)cc1)c1cc(F)ccc1F ZINC000035468783 172218187 /nfs/dbraw/zinc/21/81/87/172218187.db2.gz SRRJZJIDCBYORP-CQSZACIVSA-N 1 0 251.251 3.413 10 0 CGAERO C[NH2+][C@@H](c1cccc(F)c1)c1ccc(F)cc1F ZINC000035491985 172226054 /nfs/dbraw/zinc/22/60/54/172226054.db2.gz SBNXQAFEOQGQMG-AWEZNQCLSA-N 1 0 251.251 3.413 10 0 CGAERO C[NH2+][C@@H](c1ccc(F)c(F)c1)c1ccccc1F ZINC000035494623 172227913 /nfs/dbraw/zinc/22/79/13/172227913.db2.gz UQPGANLHGIBLLM-AWEZNQCLSA-N 1 0 251.251 3.413 10 0 CGAERO CCC[NH2+][C@@H](C)c1ccc(NC(=O)C2CCC2)cc1 ZINC000035635198 172320056 /nfs/dbraw/zinc/32/00/56/172320056.db2.gz NNKVEJGNSZGZQD-LBPRGKRZSA-N 1 0 260.381 3.486 10 0 CGAERO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccncc2)cc1 ZINC000035647975 172324781 /nfs/dbraw/zinc/32/47/81/172324781.db2.gz PWIWENHMKZNANP-KBPBESRZSA-N 1 0 270.376 3.372 10 0 CGAERO CN(Cc1cccs1)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000035717074 172371710 /nfs/dbraw/zinc/37/17/10/172371710.db2.gz WFXDZDQEOWWLOJ-AWEZNQCLSA-N 1 0 264.369 3.019 10 0 CGAERO Cc1cccc([C@@H](C[NH3+])N(C)Cc2ccsc2)c1 ZINC000035718835 172373015 /nfs/dbraw/zinc/37/30/15/172373015.db2.gz PNLNBCPQHBNJSM-OAHLLOKOSA-N 1 0 260.406 3.188 10 0 CGAERO [NH3+]Cc1ccc(Sc2ccc3c(c2)CCC3)nc1 ZINC000035720265 172375017 /nfs/dbraw/zinc/37/50/17/172375017.db2.gz QMRUDBVLRRIGPU-UHFFFAOYSA-N 1 0 256.374 3.180 10 0 CGAERO CCC[C@@H]1CC[C@H](C[NH3+])[C@H](Sc2nncs2)C1 ZINC000035724540 172379198 /nfs/dbraw/zinc/37/91/98/172379198.db2.gz SORYFJBDJHRRQQ-GMTAPVOTSA-N 1 0 271.455 3.174 10 0 CGAERO c1cc2c(cc1OCCC[NH+]1CCCCC1)NCCC2 ZINC000036188035 172501136 /nfs/dbraw/zinc/50/11/36/172501136.db2.gz WVNMKSLFACPJFS-UHFFFAOYSA-N 1 0 274.408 3.300 10 0 CGAERO CC(C)[C@H](C)[N@H+](C)Cc1ccc(N)c2cccnc12 ZINC000036786394 172703440 /nfs/dbraw/zinc/70/34/40/172703440.db2.gz WBYGVWVNUULFGG-LBPRGKRZSA-N 1 0 257.381 3.293 10 0 CGAERO C[C@H]([NH2+]Cc1cscc1Br)[C@@H]1CCCO1 ZINC000285597629 196337559 /nfs/dbraw/zinc/33/75/59/196337559.db2.gz YBSZCWQSWMEKLU-KWQFWETISA-N 1 0 290.226 3.168 10 0 CGAERO C[C@H](Nc1ccc(F)cc1F)[C@H]1CCC[N@H+](C)C1 ZINC000037210116 173032049 /nfs/dbraw/zinc/03/20/49/173032049.db2.gz YNIHKNGDFBFFNC-QWRGUYRKSA-N 1 0 254.324 3.107 10 0 CGAERO C[C@H](Nc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000037209878 173032222 /nfs/dbraw/zinc/03/22/22/173032222.db2.gz CAAZORSAGDLKDF-NWDGAFQWSA-N 1 0 252.789 3.482 10 0 CGAERO CCC[NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000037240682 173057017 /nfs/dbraw/zinc/05/70/17/173057017.db2.gz ZKHLTZWAHIPJKW-GFCCVEGCSA-N 1 0 272.314 3.284 10 0 CGAERO CCC[N@H+](CC(=O)c1ccccc1OCC)C(C)C ZINC000037335110 173135372 /nfs/dbraw/zinc/13/53/72/173135372.db2.gz PBOAJYMTJOYYPF-UHFFFAOYSA-N 1 0 263.381 3.388 10 0 CGAERO CC[C@@H](C)[NH2+]CC(=O)Nc1cccc2ccccc21 ZINC000037386331 173169194 /nfs/dbraw/zinc/16/91/94/173169194.db2.gz ZURORYLDMSPHHM-GFCCVEGCSA-N 1 0 256.349 3.166 10 0 CGAERO COC(=O)CCC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000037388160 173171349 /nfs/dbraw/zinc/17/13/49/173171349.db2.gz SSXRZXNDGWLWEN-UHFFFAOYSA-N 1 0 276.163 3.036 10 0 CGAERO CC[C@H](C)[NH2+]CC(=O)Nc1ccccc1SC(F)F ZINC000037388703 173172644 /nfs/dbraw/zinc/17/26/44/173172644.db2.gz DPZZNSXADSBRPS-VIFPVBQESA-N 1 0 288.363 3.328 10 0 CGAERO CCOc1ccc(C(=O)C[N@H+](C)[C@H](C)C(C)C)cc1 ZINC000037415185 173191512 /nfs/dbraw/zinc/19/15/12/173191512.db2.gz VHDYDNLLLSYTAM-CYBMUJFWSA-N 1 0 263.381 3.244 10 0 CGAERO CC(C)(C)[NH2+]CCc1nc2cc(F)ccc2s1 ZINC000037600286 173553840 /nfs/dbraw/zinc/55/38/40/173553840.db2.gz YKCGNFVMLICELT-UHFFFAOYSA-N 1 0 252.358 3.366 10 0 CGAERO O[C@H](C[NH2+]C1CCCCCCC1)c1cccs1 ZINC000037862335 173811764 /nfs/dbraw/zinc/81/17/64/173811764.db2.gz KRQRSZNXBBZCCM-CYBMUJFWSA-N 1 0 253.411 3.484 10 0 CGAERO C[C@H]([NH2+]Cc1cn[nH]c1)c1cccc(Br)c1 ZINC000038005826 173967991 /nfs/dbraw/zinc/96/79/91/173967991.db2.gz JHTRFDVRXQYPPL-VIFPVBQESA-N 1 0 280.169 3.023 10 0 CGAERO C[C@@H](CNc1ncccc1Cl)[NH+]1CCCCC1 ZINC000038029320 174019744 /nfs/dbraw/zinc/01/97/44/174019744.db2.gz FYQBLQZOJHVLTJ-NSHDSACASA-N 1 0 253.777 3.021 10 0 CGAERO Clc1ccc(NC2CC[NH2+]CC2)c2ncccc12 ZINC000038041489 174042327 /nfs/dbraw/zinc/04/23/27/174042327.db2.gz XNDINKTZQKNEQA-UHFFFAOYSA-N 1 0 261.756 3.052 10 0 CGAERO CC[NH2+][C@@H](C)c1ccccc1-c1c(C)nn(C)c1C ZINC000038073169 174083435 /nfs/dbraw/zinc/08/34/35/174083435.db2.gz RNWLETIYVBFLCK-NSHDSACASA-N 1 0 257.381 3.374 10 0 CGAERO CCOc1ccccc1[C@H](C)[NH2+]CC[C@@H]1CCCO1 ZINC000038095653 174109334 /nfs/dbraw/zinc/10/93/34/174109334.db2.gz GZAHFJMZVWYJJK-KBPBESRZSA-N 1 0 263.381 3.305 10 0 CGAERO C[C@@H]1C[C@H](C)CN([C@H](C[NH3+])c2ccc(Cl)cc2)C1 ZINC000039789093 174173245 /nfs/dbraw/zinc/17/32/45/174173245.db2.gz UXRCRQOEJBXZNE-TYNCELHUSA-N 1 0 266.816 3.318 10 0 CGAERO CC[C@@H](C)n1c(C[NH2+]C)nc2ccc(Cl)cc21 ZINC000040408163 174254115 /nfs/dbraw/zinc/25/41/15/174254115.db2.gz IHELCXTWDJXVRH-SECBINFHSA-N 1 0 251.761 3.380 10 0 CGAERO CC(C)n1c2ccc(C(F)(F)F)cc2nc1CC[NH3+] ZINC000040417428 174256154 /nfs/dbraw/zinc/25/61/54/174256154.db2.gz IKJXVKYFSJTOQW-UHFFFAOYSA-N 1 0 271.286 3.137 10 0 CGAERO Cc1ccc(C[C@H](C[NH3+])Cc2ccccc2F)cc1 ZINC000041328333 174524729 /nfs/dbraw/zinc/52/47/29/174524729.db2.gz CMCFUTAHRXTKFC-HNNXBMFYSA-N 1 0 257.352 3.494 10 0 CGAERO C[NH2+]C[C@H](C)CCOc1ccc(Br)cc1 ZINC000041405945 174547483 /nfs/dbraw/zinc/54/74/83/174547483.db2.gz CUQHLAHTTKDDSJ-SNVBAGLBSA-N 1 0 272.186 3.074 10 0 CGAERO COc1ccc(N)cc1C[N@H+](C)[C@@H](C)CC(C)C ZINC000042561715 174797037 /nfs/dbraw/zinc/79/70/37/174797037.db2.gz ZNNUODQPXAVVQC-LBPRGKRZSA-N 1 0 250.386 3.144 10 0 CGAERO Cc1ccc([C@H](C[NH3+])N(CC(F)(F)F)C2CC2)s1 ZINC000042745068 174864726 /nfs/dbraw/zinc/86/47/26/174864726.db2.gz ROZUQQXJHYNCRF-JTQLQIEISA-N 1 0 278.343 3.083 10 0 CGAERO C[NH2+][C@H](C)c1ccccc1N(C)Cc1cscn1 ZINC000042866417 174894874 /nfs/dbraw/zinc/89/48/74/174894874.db2.gz HIKXSPYNYNFZEC-LLVKDONJSA-N 1 0 261.394 3.060 10 0 CGAERO Cc1ccc([C@H](Sc2ncc(C)cn2)[C@@H](C)[NH3+])cc1 ZINC000042912521 174911570 /nfs/dbraw/zinc/91/15/70/174911570.db2.gz AZRRPVFJCSIVAH-TZMCWYRMSA-N 1 0 273.405 3.274 10 0 CGAERO COc1cccc([C@H](Sc2ccccn2)[C@@H](C)[NH3+])c1 ZINC000043031959 174948903 /nfs/dbraw/zinc/94/89/03/174948903.db2.gz QUPPCLCJIUVYBU-IAQYHMDHSA-N 1 0 274.389 3.271 10 0 CGAERO C[C@@H]([NH3+])[C@@H](Oc1ccc(F)cc1F)c1cccs1 ZINC000043107749 174973040 /nfs/dbraw/zinc/97/30/40/174973040.db2.gz OTUFYMFQKCLYPY-AMIZOPFISA-N 1 0 269.316 3.494 10 0 CGAERO COc1ccc(CO[C@H](c2cccs2)[C@@H](C)[NH3+])cc1 ZINC000043110312 174974024 /nfs/dbraw/zinc/97/40/24/174974024.db2.gz IJBCELABZBSDRQ-ABAIWWIYSA-N 1 0 277.389 3.362 10 0 CGAERO CCCc1ccc([C@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000044114948 175141727 /nfs/dbraw/zinc/14/17/27/175141727.db2.gz PKNQIPPNHITGNW-QGZVFWFLSA-N 1 0 261.409 3.404 10 0 CGAERO CC1(C)C[C@H]1n1c(N)[nH+]c2cc(Br)ccc21 ZINC000045135988 175313444 /nfs/dbraw/zinc/31/34/44/175313444.db2.gz MSGNNWXUWKCFLF-SNVBAGLBSA-N 1 0 280.169 3.352 10 0 CGAERO c1ccc(Cc2ccc(OC[C@H]3CCC[NH2+]3)cc2)cc1 ZINC000045261000 175337094 /nfs/dbraw/zinc/33/70/94/175337094.db2.gz NXNMORHGFGYRDN-QGZVFWFLSA-N 1 0 267.372 3.408 10 0 in-vivo CGAERO O=C(C[NH2+]Cc1cccc(Cl)c1)Nc1ccccc1 ZINC000045912205 175386342 /nfs/dbraw/zinc/38/63/42/175386342.db2.gz BBFAKFVZMOKYBV-UHFFFAOYSA-N 1 0 274.751 3.068 10 0 CGAERO COCCC[NH2+]Cc1cn(C(C)C)c2ccccc12 ZINC000045945159 175388153 /nfs/dbraw/zinc/38/81/53/175388153.db2.gz CMTMVMIJDBHMKW-UHFFFAOYSA-N 1 0 260.381 3.348 10 0 CGAERO C[NH2+]Cc1nn(Cc2cccc(C)c2)nc1-c1ccccc1 ZINC000057353161 175593911 /nfs/dbraw/zinc/59/39/11/175593911.db2.gz QPDFVAKKDFLURT-UHFFFAOYSA-N 1 0 292.386 3.021 10 0 CGAERO [NH3+]C[C@H](Oc1cc(F)ccc1F)c1cccc(F)c1 ZINC000071167147 176049619 /nfs/dbraw/zinc/04/96/19/176049619.db2.gz KQFSCEUEAMOBAO-AWEZNQCLSA-N 1 0 267.250 3.183 10 0 CGAERO COc1ccc(-c2sc(C[C@H](C)[NH3+])nc2C)cc1 ZINC000071170052 176050691 /nfs/dbraw/zinc/05/06/91/176050691.db2.gz FAHPMFLRQOMHID-VIFPVBQESA-N 1 0 262.378 3.017 10 0 CGAERO CCCN(c1ccc(C(F)(F)F)cc1)[C@@H]1CC[NH2+]C1 ZINC000071332551 176125554 /nfs/dbraw/zinc/12/55/54/176125554.db2.gz ONKKZSKBLWTYKF-CYBMUJFWSA-N 1 0 272.314 3.284 10 0 CGAERO Cc1ccc(OCC(F)F)c(C[NH2+]CC(C)C)c1 ZINC000071407382 176156491 /nfs/dbraw/zinc/15/64/91/176156491.db2.gz CKEFABMGFJGJEH-UHFFFAOYSA-N 1 0 257.324 3.385 10 0 CGAERO CC(C)(C)c1ccc([C@](C)(O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000071587888 176215553 /nfs/dbraw/zinc/21/55/53/176215553.db2.gz MGRHEXBTJYDKFC-WBVHZDCISA-N 1 0 261.409 3.191 10 0 CGAERO COc1c(C)cc([C@@H](OCC[NH3+])C2CC2)c(C)c1C ZINC000071595967 176219110 /nfs/dbraw/zinc/21/91/10/176219110.db2.gz SWWXOSQNCJVOOE-INIZCTEOSA-N 1 0 263.381 3.047 10 0 CGAERO CC[NH2+][C@@H](C)C(=O)c1cc(Cl)c(OCC)cc1C ZINC000071600975 176227481 /nfs/dbraw/zinc/22/74/81/176227481.db2.gz LQPOPKWBFHXAJZ-JTQLQIEISA-N 1 0 269.772 3.228 10 0 CGAERO CC(C)c1c(C[NH3+])cnn1-c1cccc(Br)c1 ZINC000071649864 176240770 /nfs/dbraw/zinc/24/07/70/176240770.db2.gz OSFQKOLNWDODMN-UHFFFAOYSA-N 1 0 294.196 3.217 10 0 CGAERO C[NH+](C)CCNc1cc(-c2ccsc2)c2cc[nH]c2n1 ZINC000072148002 176325915 /nfs/dbraw/zinc/32/59/15/176325915.db2.gz UXWCPTARESLCHC-UHFFFAOYSA-N 1 0 286.404 3.265 10 0 CGAERO Clc1ccc(-c2ccc([C@@H]3C[NH2+]CCO3)nc2)cc1 ZINC000072384547 176388870 /nfs/dbraw/zinc/38/88/70/176388870.db2.gz JVHVDYVEDJQQSA-HNNXBMFYSA-N 1 0 274.751 3.063 10 0 CGAERO Brc1ccc2c(c1)sc1c2CC[NH2+]C1 ZINC000075884465 176812688 /nfs/dbraw/zinc/81/26/88/176812688.db2.gz RISCQOKJCSYAPZ-UHFFFAOYSA-N 1 0 268.179 3.310 10 0 CGAERO [NH3+]C[C@H](CCOc1ccccc1)c1cccc(F)c1 ZINC000076668530 177052571 /nfs/dbraw/zinc/05/25/71/177052571.db2.gz MTGURBYJYFZJEV-AWEZNQCLSA-N 1 0 259.324 3.337 10 0 CGAERO CC(C)c1ccc(NC(=O)C[C@H](C[NH3+])C(C)C)cc1 ZINC000076675745 177055942 /nfs/dbraw/zinc/05/59/42/177055942.db2.gz GRQQSFIZMGOENG-CQSZACIVSA-N 1 0 262.397 3.370 10 0 CGAERO Cc1cc(C)cc(NC(=O)[C@@H](CCC[NH3+])C(C)C)c1 ZINC000076675870 177055947 /nfs/dbraw/zinc/05/59/47/177055947.db2.gz FFTUUZPYLVELJW-HNNXBMFYSA-N 1 0 262.397 3.253 10 0 CGAERO CC1(C)CC[NH2+][C@@H]2CCCN(Cc3ccccc3)[C@H]21 ZINC000076697528 177061094 /nfs/dbraw/zinc/06/10/94/177061094.db2.gz YHEVCQKICFAAOX-HZPDHXFCSA-N 1 0 258.409 3.039 10 0 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SUNSAGIQSRIFCM-GJZGRUSLSA-N 1 0 286.410 3.371 10 0 CGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H]1CC(C)(C)C[C@@H]1C)CC2 ZINC000193132110 280675994 /nfs/dbraw/zinc/67/59/94/280675994.db2.gz STQZDDVBSFZJML-MJBXVCDLSA-N 1 0 290.455 3.131 10 0 CGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)CC2 ZINC000153796128 281125721 /nfs/dbraw/zinc/12/57/21/281125721.db2.gz ZSHGCEDPRXOQBL-HYVNUMGLSA-N 1 0 259.393 3.123 10 0 CGAERO Cc1cccc(C(C)C)c1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000171069995 281200446 /nfs/dbraw/zinc/20/04/46/281200446.db2.gz MHHIMLJNLMOMDR-CQSZACIVSA-N 1 0 289.423 3.286 10 0 CGAERO CC1(C)[C@H]([NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)[C@H]2CCCO[C@H]21 ZINC000245926388 281520704 /nfs/dbraw/zinc/52/07/04/281520704.db2.gz RMNHEFONVVLGDV-JWXAEQQXSA-N 1 0 297.442 3.366 10 0 CGAERO C[C@H](c1ccc(F)cc1F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246180261 290232274 /nfs/dbraw/zinc/23/22/74/290232274.db2.gz KMVYKNWPHJRFFC-OCCSQVGLSA-N 1 0 280.362 3.196 10 0 CGAERO COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[NH2+]CC3 ZINC000003870954 295272984 /nfs/dbraw/zinc/27/29/84/295272984.db2.gz ILNSWVUXAPSPEH-USXIJHARSA-N 1 0 257.377 3.041 10 0 CGAERO C[C@@H]1C[C@H](C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC(C)(C)C1 ZINC000248597072 297321942 /nfs/dbraw/zinc/32/19/42/297321942.db2.gz TVUPPRXYLRHATQ-WCVJEAGWSA-N 1 0 294.483 3.390 10 0 CGAERO C[C@H]1CCN(C(=O)c2ccc(C[NH3+])cc2)[C@@H](c2ccco2)C1 ZINC000186461265 299956593 /nfs/dbraw/zinc/95/65/93/299956593.db2.gz LTMSVBXSCVYYSA-XJKSGUPXSA-N 1 0 298.386 3.352 10 0 CGAERO Cc1ccccc1[C@H]([NH2+]CCCOCCO)c1ccccc1 ZINC000180238473 302197954 /nfs/dbraw/zinc/19/79/54/302197954.db2.gz CLFCLYKTDJLLSO-LJQANCHMSA-N 1 0 299.414 3.073 10 0 CGAERO CCC[C@H](C(=O)N1CCC[C@@]2(CC=CCC2)C1)[NH+](C)C ZINC000156949389 321788464 /nfs/dbraw/zinc/78/84/64/321788464.db2.gz RTHAVMYNYICMLA-WBVHZDCISA-N 1 0 278.440 3.066 10 0 CGAERO Cc1cccc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1Cl ZINC000169031625 321911656 /nfs/dbraw/zinc/91/16/56/321911656.db2.gz XOJIMPBFSCWTLW-CYBMUJFWSA-N 1 0 296.842 3.355 10 0 CGAERO C[C@H](Nc1cccc(-c2cnco2)c1)[C@@H]1CCC[NH2+]C1 ZINC000573545734 322393927 /nfs/dbraw/zinc/39/39/27/322393927.db2.gz KOOFMOSVGZXNIZ-GXTWGEPZSA-N 1 0 271.364 3.142 10 0 CGAERO CCOC(=O)C1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000381579758 336068948 /nfs/dbraw/zinc/06/89/48/336068948.db2.gz BLDKXCGBVDWSFD-CYBMUJFWSA-N 1 0 289.366 3.087 10 0 CGAERO CC[C@H]([NH2+][C@H]1CCCN(CC)C1)c1ccsc1 ZINC000382060559 336081100 /nfs/dbraw/zinc/08/11/00/336081100.db2.gz AODYNJRZTMJSLK-KBPBESRZSA-N 1 0 252.427 3.273 10 0 CGAERO CC[NH2+][C@H](C)CNc1nc(C)nc2sc(C)c(C)c21 ZINC000387456825 336194151 /nfs/dbraw/zinc/19/41/51/336194151.db2.gz ORQUMHAGAUPWCF-MRVPVSSYSA-N 1 0 278.425 3.026 10 0 CGAERO CC(C)C[NH2+]Cc1nc(N2CCSCC2)ccc1Cl ZINC000051437949 519749053 /nfs/dbraw/zinc/74/90/53/519749053.db2.gz PBEIJTDEMVJGEY-UHFFFAOYSA-N 1 0 299.871 3.034 10 0 CGAERO CC(C)[C@@H]1CCC(=O)[C@H](C[N@@H+]2CCCSCC2)C1 ZINC000054559333 519801854 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VFLMBFPHNVHWOO-UHFFFAOYSA-N 1 0 273.298 3.492 10 0 CGAERO [NH3+]C[C@@H](c1nc(-c2ccsc2)c[nH]1)c1ccccc1 ZINC000061613851 527207932 /nfs/dbraw/zinc/20/79/32/527207932.db2.gz DQMTWLQUEMZZKM-CYBMUJFWSA-N 1 0 269.373 3.229 10 0 CGAERO [NH3+]C[C@H]1CCCCN1c1ccccc1C(F)(F)F ZINC000051692372 527231355 /nfs/dbraw/zinc/23/13/55/527231355.db2.gz YTEYQFZZHIRMAX-SNVBAGLBSA-N 1 0 258.287 3.023 10 0 CGAERO [NH3+]Cc1c2ccccc2oc1COc1ccccc1 ZINC000052668280 527243327 /nfs/dbraw/zinc/24/33/27/527243327.db2.gz HLEWFGMQZVAAJZ-UHFFFAOYSA-N 1 0 253.301 3.471 10 0 CGAERO [NH3+]Cc1cc(Cl)ccc1OCCc1cccs1 ZINC000052858554 527249237 /nfs/dbraw/zinc/24/92/37/527249237.db2.gz OLFYZPYSQBXNBT-UHFFFAOYSA-N 1 0 267.781 3.482 10 0 CGAERO [NH3+][C@@H](Cc1c(F)cccc1Cl)c1ccccn1 ZINC000049347084 527335128 /nfs/dbraw/zinc/33/51/28/527335128.db2.gz FINWGQDTCXYAAG-LBPRGKRZSA-N 1 0 250.704 3.117 10 0 CGAERO [NH3+][C@@H]1CCc2c1cccc2OCc1cccc(F)c1 ZINC000062798765 527373080 /nfs/dbraw/zinc/37/30/80/527373080.db2.gz SDTYFWVQUNVXRF-OAHLLOKOSA-N 1 0 257.308 3.351 10 0 CGAERO [NH3+][C@H](c1cccc(F)c1)c1ccc2ccccc2n1 ZINC000063075867 527392676 /nfs/dbraw/zinc/39/26/76/527392676.db2.gz LSVHWHKOKFLSGC-MRXNPFEDSA-N 1 0 252.292 3.422 10 0 CGAERO [NH3+][C@H]1CCc2c1cccc2OCc1cccc(F)c1 ZINC000062798764 527416219 /nfs/dbraw/zinc/41/62/19/527416219.db2.gz SDTYFWVQUNVXRF-HNNXBMFYSA-N 1 0 257.308 3.351 10 0 CGAERO FC(F)(F)Oc1ccccc1[C@@H]1C[C@@H]1C[NH2+]C1CC1 ZINC000054595674 527675781 /nfs/dbraw/zinc/67/57/81/527675781.db2.gz PUVJQSWMMYEELC-BXKDBHETSA-N 1 0 271.282 3.441 10 0 CGAERO FC(F)(F)c1ccc(N2CC[C@@H](C[NH2+]C3CC3)C2)cc1 ZINC000053011129 527682845 /nfs/dbraw/zinc/68/28/45/527682845.db2.gz YSUBORQOTLSLLI-NSHDSACASA-N 1 0 284.325 3.284 10 0 CGAERO CC(C)CC[NH+]1CCC(CNC(=O)N[C@H](C)C(C)C)CC1 ZINC000175297690 527723831 /nfs/dbraw/zinc/72/38/31/527723831.db2.gz KMUDLYUNOSZVHE-OAHLLOKOSA-N 1 0 297.487 3.088 10 0 CGAERO CCCOc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2CO)c1 ZINC000152309511 528756887 /nfs/dbraw/zinc/75/68/87/528756887.db2.gz VCNJFAJCGQRNGP-NVXWUHKLSA-N 1 0 277.408 3.116 10 0 CGAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]C1CCOCC1 ZINC000156731315 529055972 /nfs/dbraw/zinc/05/59/72/529055972.db2.gz MXNNMCHBTZKBKL-MRXNPFEDSA-N 1 0 259.393 3.469 10 0 CGAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+][C@@H]1CCCOC1 ZINC000156747385 529056823 /nfs/dbraw/zinc/05/68/23/529056823.db2.gz DOFICXHRGPQZJX-ZBFHGGJFSA-N 1 0 259.393 3.469 10 0 CGAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)c1cccc(OC)c1 ZINC000175788339 529099252 /nfs/dbraw/zinc/09/92/52/529099252.db2.gz JNXGBTIZNSZUKL-HOCLYGCPSA-N 1 0 276.424 3.172 10 0 CGAERO CC[C@@H]([NH2+]C[C@@H](C)N1CCOCC1)c1cccc(Cl)c1 ZINC000173306831 529171712 /nfs/dbraw/zinc/17/17/12/529171712.db2.gz RDXOLMMIULQJOC-CZUORRHYSA-N 1 0 296.842 3.101 10 0 CGAERO CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171705938 529257253 /nfs/dbraw/zinc/25/72/53/529257253.db2.gz ARHRNDWGFAADPW-HOTGVXAUSA-N 1 0 270.380 3.066 10 0 CGAERO CC(C)CC[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)C1CC1 ZINC000302478111 534943994 /nfs/dbraw/zinc/94/39/94/534943994.db2.gz HAMOYEQPMXVGQR-PMPSAXMXSA-N 1 0 253.430 3.342 10 0 CGAERO CC(C)[C@@H]1C[NH2+][C@H](C)CN1c1ccccc1Cl ZINC000083394394 535264668 /nfs/dbraw/zinc/26/46/68/535264668.db2.gz GMWMRHUYCFSUJJ-RISCZKNCSA-N 1 0 252.789 3.163 10 0 CGAERO CCCOc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H]2C)cc1 ZINC000252681504 535283120 /nfs/dbraw/zinc/28/31/20/535283120.db2.gz AIPYFKGJACYMNR-HEHGZKQESA-N 1 0 263.381 3.303 10 0 CGAERO COc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2n2cccn2)cc1 ZINC000127814936 536842485 /nfs/dbraw/zinc/84/24/85/536842485.db2.gz HCAHEHZRACMECL-ROUUACIJSA-N 1 0 299.418 3.208 10 0 CGAERO Cc1ccc([C@H](C)[NH2+]C2CCC(O)(C(F)(F)F)CC2)o1 ZINC000396334463 572484075 /nfs/dbraw/zinc/48/40/75/572484075.db2.gz SYVWZKRLRNBEMP-ZBOXLXRLSA-N 1 0 291.313 3.475 10 0 CGAERO Cc1cc([C@@H]2C[NH2+]C[C@H]2C(=O)OC(C)(C)C)ccc1Cl ZINC000757184713 617835388 /nfs/dbraw/zinc/83/53/88/617835388.db2.gz MPRQVIKINYTXCP-QWHCGFSZSA-N 1 0 295.810 3.293 10 0 CGAERO Cc1nn(C)c2sc([C@@H]3[NH2+]C[C@H](C)C[C@H]3C)cc12 ZINC000757218591 617847966 /nfs/dbraw/zinc/84/79/66/617847966.db2.gz VCIBQMTUSUOHGV-JRKPZEMJSA-N 1 0 263.410 3.250 10 0 CGAERO CCCCC[C@@H](C)NC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000177321668 617927927 /nfs/dbraw/zinc/92/79/27/617927927.db2.gz LXAKVWMZORZDLG-HUUCEWRRSA-N 1 0 283.460 3.081 10 0 CGAERO CCC1(C[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000175867567 618001531 /nfs/dbraw/zinc/00/15/31/618001531.db2.gz YPNSJYSBKLWLGB-AWEZNQCLSA-N 1 0 296.455 3.413 10 0 CGAERO CCC[N@H+](C[C@H](O)c1cc2ccccc2o1)C1CC1 ZINC000044130779 618612378 /nfs/dbraw/zinc/61/23/78/618612378.db2.gz PPKYXAJBBRKOHN-AWEZNQCLSA-N 1 0 259.349 3.341 10 0 CGAERO CS[C@@H](C)C[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000162678124 619127190 /nfs/dbraw/zinc/12/71/90/619127190.db2.gz MXXIDKSIYIDYQS-CABZTGNLSA-N 1 0 293.354 3.080 10 0 CGAERO C[C@H](CC[NH2+]C[C@H]1CC=CCC1)NC(=O)OC(C)(C)C ZINC000178920228 619603865 /nfs/dbraw/zinc/60/38/65/619603865.db2.gz LQKRVUFNSCYWTE-KGLIPLIRSA-N 1 0 282.428 3.236 10 0 CGAERO CC(C)(C)OC(=O)NCCC(C)(C)[NH2+]Cc1ccccc1 ZINC000306860595 619660583 /nfs/dbraw/zinc/66/05/83/619660583.db2.gz FCBAPMSSXIBSHL-UHFFFAOYSA-N 1 0 292.423 3.470 10 0 CGAERO Cc1cc(F)cc(-c2noc([C@@H]3CCC[C@@H]3C[NH3+])n2)c1 ZINC000162505429 621415834 /nfs/dbraw/zinc/41/58/34/621415834.db2.gz FTSPALHRGMUOMO-ZWNOBZJWSA-N 1 0 275.327 3.027 10 0 CGAERO CSC[C@H](C)[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000229358203 623125172 /nfs/dbraw/zinc/12/51/72/623125172.db2.gz YXPUFBRTJWVKSA-CABZTGNLSA-N 1 0 293.354 3.080 10 0 CGAERO CC[NH+](CC)[C@@H](C)CNC(=O)CCCSC(C)(C)C ZINC000154627190 624329822 /nfs/dbraw/zinc/32/98/22/624329822.db2.gz LDGRIXXHMYZSPB-ZDUSSCGKSA-N 1 0 288.501 3.145 10 0 CGAERO C[C@H](NC(=O)CCCCC[NH3+])c1ccc(F)c(Cl)c1 ZINC000154678606 624342456 /nfs/dbraw/zinc/34/24/56/624342456.db2.gz GHCZHCJSKPHTIM-JTQLQIEISA-N 1 0 286.778 3.175 10 0 CGAERO CCC[C@H](C(=O)NNc1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC000181125202 624812247 /nfs/dbraw/zinc/81/22/47/624812247.db2.gz ACFDCUVWDIRZDV-OAHLLOKOSA-N 1 0 291.439 3.158 10 0 CGAERO C[C@@H]1OCC[C@H]1[NH2+]CCc1cc(Cl)cc(Cl)c1 ZINC000120562055 630135943 /nfs/dbraw/zinc/13/59/43/630135943.db2.gz JBTINGWODKBWKN-TVQRCGJNSA-N 1 0 274.191 3.303 10 0 CGAERO C[C@@H]1CCC[C@@]2(C[NH2+]C[C@H]2C(=O)OC(C)(C)C)CC1 ZINC000757183459 630588031 /nfs/dbraw/zinc/58/80/31/630588031.db2.gz CLHBLDFZRNXOJW-WWGRRREGSA-N 1 0 267.413 3.134 10 0 CGAERO Cc1cc(OC(F)(F)F)ccc1[C@@H]1CCC[NH2+]C1 ZINC000757212262 630589666 /nfs/dbraw/zinc/58/96/66/630589666.db2.gz MSDKZUZTYHMITJ-SNVBAGLBSA-N 1 0 259.271 3.361 10 0 CGAERO CC(C)[N@@H+]1CCC[C@H]([C@@H]2CC[C@H](C(F)(F)F)NC2)C1 ZINC000757573650 630622052 /nfs/dbraw/zinc/62/20/52/630622052.db2.gz YBCXRGIXXSEDJV-FRRDWIJNSA-N 1 0 278.362 3.037 10 0 CGAERO C[NH+](C)C[C@@H](NC(=O)/C=C\c1ccccc1)c1ccccc1 ZINC000212639646 636393750 /nfs/dbraw/zinc/39/37/50/636393750.db2.gz FVPNNOHHZPPGOT-SWNWVQGVSA-N 1 0 294.398 3.119 10 0 CGAERO [NH3+]Cc1cc(-c2cccc3c2OCCC3)ccc1F ZINC000133925053 636988681 /nfs/dbraw/zinc/98/86/81/636988681.db2.gz MJOASEMQVDARFW-UHFFFAOYSA-N 1 0 257.308 3.276 10 0 CGAERO C[C@H](CC[NH2+][C@@H]1CCCC1(C)C)NC(=O)OC(C)(C)C ZINC000221977871 637771404 /nfs/dbraw/zinc/77/14/04/637771404.db2.gz FHUYJPGQASBFDW-CHWSQXEVSA-N 1 0 284.444 3.458 10 0 CGAERO CCn1nc(C)c([C@H](C)[NH2+]CCSC(F)(F)F)c1C ZINC000222541814 637802079 /nfs/dbraw/zinc/80/20/79/637802079.db2.gz NYFWVCWQCWYKBJ-QMMMGPOBSA-N 1 0 295.374 3.423 10 0 CGAERO CC[C@@H](C)[C@H]([NH3+])C(=O)NCCCCCCC(C)C ZINC000040830279 639897517 /nfs/dbraw/zinc/89/75/17/639897517.db2.gz MNTGRTLHUUHCGA-KGLIPLIRSA-N 1 0 256.434 3.083 10 0 CGAERO C[C@H](CC1CC1)[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000089150715 640631840 /nfs/dbraw/zinc/63/18/40/640631840.db2.gz RVXGIYJJIVJFME-BPLDGKMQSA-N 1 0 296.455 3.458 10 0 CGAERO CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089391115 640644135 /nfs/dbraw/zinc/64/41/35/640644135.db2.gz YFQKUFPHJJVYGS-HIFRSBDPSA-N 1 0 294.826 3.064 10 0 CGAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1[C@@H]1C=CCCC1 ZINC000247482402 640724811 /nfs/dbraw/zinc/72/48/11/640724811.db2.gz KFXXSCLDSPNZHH-KGLIPLIRSA-N 1 0 280.412 3.084 10 0 CGAERO CCCCCC[C@H](CC)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247580147 640729694 /nfs/dbraw/zinc/72/96/94/640729694.db2.gz YKAGEGUGRXEFGN-HOTGVXAUSA-N 1 0 280.456 3.290 10 0 CGAERO CCC[C@H](C)[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000251373347 640825748 /nfs/dbraw/zinc/82/57/48/640825748.db2.gz UXJCCJYJSYFNDA-IHRRRGAJSA-N 1 0 284.444 3.458 10 0 CGAERO CC/C=C\CC(=O)N1CCC[C@]2(CCC[N@H+](CC)C2)C1 ZINC000096792169 640838492 /nfs/dbraw/zinc/83/84/92/640838492.db2.gz BGEZZASLRQQOJO-OSJSJHBBSA-N 1 0 278.440 3.067 10 0 CGAERO C[NH2+]Cc1sc(N2CCC[C@@H](C)C2)nc1C(C)C ZINC000082434820 178012067 /nfs/dbraw/zinc/01/20/67/178012067.db2.gz ITIJBVFUSKUPDS-LLVKDONJSA-N 1 0 267.442 3.222 10 0 CGAERO C[NH2+]Cc1sc(-c2ccncc2)nc1C(C)(C)C ZINC000082439273 178017964 /nfs/dbraw/zinc/01/79/64/178017964.db2.gz GYQSTOPOSSQYGZ-UHFFFAOYSA-N 1 0 261.394 3.222 10 0 CGAERO CC[NH2+][C@H]1CC2(CCCC2)Oc2ccc(OC)cc21 ZINC000082508892 178074847 /nfs/dbraw/zinc/07/48/47/178074847.db2.gz XXGRYNRSBUDXTI-AWEZNQCLSA-N 1 0 261.365 3.441 10 0 CGAERO Cc1cc([C@@H](O)[C@H]2CCC[NH2+]C2)c(C)cc1Br ZINC000083159125 178345226 /nfs/dbraw/zinc/34/52/26/178345226.db2.gz HUHRQEJAZHDPHA-FZMZJTMJSA-N 1 0 298.224 3.099 10 0 CGAERO Clc1cccc([C@H]2C[NH2+]CCN2Cc2ccccc2)c1 ZINC000337778785 214257679 /nfs/dbraw/zinc/25/76/79/214257679.db2.gz ZPXMSCLMZZTLEV-QGZVFWFLSA-N 1 0 286.806 3.487 10 0 CGAERO COc1c(Cl)c2c(c(Cl)c1OC)[C@@H](C)[NH2+]CC2 ZINC000096889010 185123580 /nfs/dbraw/zinc/12/35/80/185123580.db2.gz GHKNHEDDFJHLJV-ZCFIWIBFSA-N 1 0 276.163 3.217 10 0 CGAERO CC(C)Sc1ccc([C@H](O)[C@H](C)[NH2+]C2CC2)cc1 ZINC000096891040 185124588 /nfs/dbraw/zinc/12/45/88/185124588.db2.gz DHDOHJNIEUYSLG-XHDPSFHLSA-N 1 0 265.422 3.361 10 0 CGAERO CC(C)(C)[C@H](O)C[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623417153 349803790 /nfs/dbraw/zinc/80/37/90/349803790.db2.gz UUQWXUZOXVGYOV-SECBINFHSA-N 1 0 281.343 3.264 10 0 CGAERO c1n[nH]cc1[C@H]1CCCC[N@H+]1Cc1ccc2c[nH]nc2c1 ZINC000126717426 187258359 /nfs/dbraw/zinc/25/83/59/187258359.db2.gz JEZAQLQVUQXZBI-MRXNPFEDSA-N 1 0 281.363 3.013 10 0 CGAERO CCC(F)(F)C(C)(C)C[NH2+]Cc1csc(COC)n1 ZINC000623528121 349826861 /nfs/dbraw/zinc/82/68/61/349826861.db2.gz ZTKFWJQLUSDTPE-UHFFFAOYSA-N 1 0 292.395 3.451 10 0 CGAERO C[NH+](C)CC[C@H]1c2ccccc2CCc2cccnc21 ZINC000002015271 344857077 /nfs/dbraw/zinc/85/70/77/344857077.db2.gz AFHBTDCJPJOQKJ-KRWDZBQOSA-N 1 0 266.388 3.264 10 0 CGAERO C[NH+]1CCC(C2(O)c3ccccc3-c3ccccc32)CC1 ZINC000034463616 344939396 /nfs/dbraw/zinc/93/93/96/344939396.db2.gz ANYAQEVDOGVVCQ-UHFFFAOYSA-N 1 0 279.383 3.245 10 0 CGAERO c1ccc(C(c2ccccc2)[C@@H]2CC[C@H]3CN2CC[NH2+]3)cc1 ZINC000034549050 344940036 /nfs/dbraw/zinc/94/00/36/344940036.db2.gz OWOKJCHLZPCDHX-OALUTQOASA-N 1 0 292.426 3.255 10 0 CGAERO COc1ccc(C2(O)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000034763417 344940814 /nfs/dbraw/zinc/94/08/14/344940814.db2.gz XRTONVAVTOLDRB-UHFFFAOYSA-N 1 0 297.398 3.179 10 0 CGAERO COc1ccccc1[C@@H]([NH3+])c1ccc2c(c1)CCC2 ZINC000034939666 344941264 /nfs/dbraw/zinc/94/12/64/344941264.db2.gz QUFJYCCFXSMAEL-KRWDZBQOSA-N 1 0 253.345 3.232 10 0 CGAERO [NH3+][C@@H]1CCCSc2c(Br)cccc21 ZINC000036962215 344946094 /nfs/dbraw/zinc/94/60/94/344946094.db2.gz NXZOYSZYSMUZPH-SECBINFHSA-N 1 0 258.184 3.335 10 0 CGAERO [NH3+]C1CCC(C(=O)Nc2cccc3c2CCCC3)CC1 ZINC000037622868 344951840 /nfs/dbraw/zinc/95/18/40/344951840.db2.gz KNJXEWWSAKYNKP-UHFFFAOYSA-N 1 0 272.392 3.021 10 0 CGAERO CC(C)(C)OC[C@H](O)C[N@H+](CC1CCCCC1)C1CC1 ZINC000052244974 345101325 /nfs/dbraw/zinc/10/13/25/345101325.db2.gz JPCXGXLRUMZNAU-MRXNPFEDSA-N 1 0 283.456 3.207 10 0 CGAERO CCN(C(=O)C[C@H]1CCC[NH2+]C1)[C@@H](C)c1ccc(F)cc1 ZINC000054308045 345132481 /nfs/dbraw/zinc/13/24/81/345132481.db2.gz ADWXTHNBJFAMBG-UONOGXRCSA-N 1 0 292.398 3.125 10 0 CGAERO CC(C)c1ccc(CN(C)C(=O)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000054307817 345132580 /nfs/dbraw/zinc/13/25/80/345132580.db2.gz JWHIQJJGVIIFCE-INIZCTEOSA-N 1 0 288.435 3.158 10 0 CGAERO [NH3+][C@H](Cc1ccccc1)[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000054685836 345137763 /nfs/dbraw/zinc/13/77/63/345137763.db2.gz HSCPXAFFBDJQBJ-CABCVRRESA-N 1 0 279.742 3.083 10 0 CGAERO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)c1cccc2ccccc21 ZINC000054686263 345137853 /nfs/dbraw/zinc/13/78/53/345137853.db2.gz BLAYHGKTCJOSFP-OALUTQOASA-N 1 0 277.367 3.443 10 0 CGAERO CC(C)C(=[NH2+])NCc1ccc(Br)cc1 ZINC000062989416 345242344 /nfs/dbraw/zinc/24/23/44/345242344.db2.gz LCJQPCXXSDCIKQ-UHFFFAOYSA-N 1 0 255.159 3.172 10 0 CGAERO [NH3+][C@H]1CC[C@@H](Cc2sccc2Br)C1 ZINC000070741173 345393963 /nfs/dbraw/zinc/39/39/63/345393963.db2.gz POSHZVGZXXDNIL-SFYZADRCSA-N 1 0 260.200 3.181 10 0 CGAERO C[NH2+][C@@H]1CC[C@H](Cc2cc(Br)cs2)C1 ZINC000070744325 345394601 /nfs/dbraw/zinc/39/46/01/345394601.db2.gz UNQPEPAIVODJBT-WCBMZHEXSA-N 1 0 274.227 3.441 10 0 CGAERO C[C@H]([NH3+])c1csc(-c2ccc(Br)o2)n1 ZINC000070842783 345396861 /nfs/dbraw/zinc/39/68/61/345396861.db2.gz CZMWSPQRGYGNAM-YFKPBYRVSA-N 1 0 273.155 3.185 10 0 CGAERO Clc1ncc(CN2CCC[C@H]([NH+]3CCCCC3)C2)s1 ZINC000079321289 345636709 /nfs/dbraw/zinc/63/67/09/345636709.db2.gz DLWGYCRYJKTDKB-LBPRGKRZSA-N 1 0 299.871 3.247 10 0 CGAERO Fc1cccc(N2CCC[C@@H]([NH+]3CCCCCC3)C2)n1 ZINC000091482443 345816701 /nfs/dbraw/zinc/81/67/01/345816701.db2.gz WNFGIQKLQLTJQM-CQSZACIVSA-N 1 0 277.387 3.066 10 0 CGAERO Fc1cccc(COc2ccc3c(c2)CC[NH2+]C3)c1 ZINC000114102550 345963354 /nfs/dbraw/zinc/96/33/54/345963354.db2.gz WVANQPZQCOXLDS-UHFFFAOYSA-N 1 0 257.308 3.050 10 0 CGAERO Cc1ccc2c(n1)NCc1ccc(C(F)(F)F)nc1N2 ZINC000115198432 345969544 /nfs/dbraw/zinc/96/95/44/345969544.db2.gz JANYNDRZIOSRAW-UHFFFAOYSA-N 1 0 280.253 3.473 10 0 CGAERO COc1ccc([C@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000115310105 345970688 /nfs/dbraw/zinc/97/06/88/345970688.db2.gz HNZBMXOBIJHWLS-SUMWQHHRSA-N 1 0 255.361 3.369 10 0 CGAERO CCCc1nc2ccccc2n1CC[C@H]1CCC[NH2+]C1 ZINC000129178850 346047832 /nfs/dbraw/zinc/04/78/32/346047832.db2.gz CZEQYBFEHASZAS-CQSZACIVSA-N 1 0 271.408 3.379 10 0 CGAERO C[C@@H]([NH2+]C1CC=CC1)c1ccc(Br)o1 ZINC000132539849 346072053 /nfs/dbraw/zinc/07/20/53/346072053.db2.gz GWFKGCMASZJSRQ-MRVPVSSYSA-N 1 0 256.143 3.411 10 0 CGAERO c1cc([C@H]2CC[NH2+]C[C@@H]2OCC2CCCCC2)co1 ZINC000140569207 346105541 /nfs/dbraw/zinc/10/55/41/346105541.db2.gz YHINUSVUQSDVNZ-CVEARBPZSA-N 1 0 263.381 3.322 10 0 CGAERO Clc1cc(Br)ccc1[C@@H]1CSCC[NH2+]1 ZINC000135060635 346085704 /nfs/dbraw/zinc/08/57/04/346085704.db2.gz GYLUKZQBHCMVNF-JTQLQIEISA-N 1 0 292.629 3.480 10 0 CGAERO O[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccnc2ccccc12 ZINC000135642869 346088689 /nfs/dbraw/zinc/08/86/89/346088689.db2.gz NLWWRGGCPFFAQI-IAGOWNOFSA-N 1 0 270.376 3.018 10 0 CGAERO Cc1ccc([C@H]2[NH2+][C@@H](C)CS2)cc1Br ZINC000164813658 346183199 /nfs/dbraw/zinc/18/31/99/346183199.db2.gz OBEBWEARSCZRTB-KWQFWETISA-N 1 0 272.211 3.481 10 0 CGAERO CC[NH+](CC)CCC(=O)CCCc1cccc(OC)c1 ZINC000167493529 346188949 /nfs/dbraw/zinc/18/89/49/346188949.db2.gz VMRLDWRGIVZADW-UHFFFAOYSA-N 1 0 277.408 3.319 10 0 CGAERO Cc1ccc([C@@H](C)[NH2+]Cc2cnc3c(C)cccn23)o1 ZINC000174244128 346239960 /nfs/dbraw/zinc/23/99/60/346239960.db2.gz NAUNXUIJKNWZDD-CYBMUJFWSA-N 1 0 269.348 3.395 10 0 CGAERO Fc1ccc([C@H]2CCCC[NH2+]2)cc1Br ZINC000218292968 346292607 /nfs/dbraw/zinc/29/26/07/346292607.db2.gz IAOPSJBHQNIFNG-LLVKDONJSA-N 1 0 258.134 3.403 10 0 CGAERO CCCc1c(C(F)(F)F)nc2n1[C@H](C)CN[C@@H]2C ZINC000221252439 346297801 /nfs/dbraw/zinc/29/78/01/346297801.db2.gz QFQTZKVKLPIWSE-HTQZYQBOSA-N 1 0 261.291 3.080 10 0 CGAERO C[NH+](C)C[C@H](Cc1ccccc1)[C@@H](O)c1ccccc1 ZINC000223782628 346301487 /nfs/dbraw/zinc/30/14/87/346301487.db2.gz MNLLUJDAMQVVJG-ROUUACIJSA-N 1 0 269.388 3.141 10 0 CGAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)c1cscc1Br ZINC000226549040 346306881 /nfs/dbraw/zinc/30/68/81/346306881.db2.gz SIJTVIPYCXPPIB-HTQZYQBOSA-N 1 0 288.210 3.068 10 0 CGAERO CC[C@@H]1C[C@@]1([NH3+])c1ccc(C)cc1Br ZINC000233930194 346330851 /nfs/dbraw/zinc/33/08/51/346330851.db2.gz JJCSEKFRDKSLAS-SKDRFNHKSA-N 1 0 254.171 3.341 10 0 CGAERO C[NH2+][C@H]1CCc2c1c(Br)ccc2Cl ZINC000234475121 346331490 /nfs/dbraw/zinc/33/14/90/346331490.db2.gz CIGYEWUHGWTCFU-VIFPVBQESA-N 1 0 260.562 3.309 10 0 CGAERO CN(Cc1ccccc1)c1c(N)c[nH+]cc1Br ZINC000234302715 346331544 /nfs/dbraw/zinc/33/15/44/346331544.db2.gz OFLKTTVADCZMHI-UHFFFAOYSA-N 1 0 292.180 3.063 10 0 CGAERO C[NH2+][C@@H](C)c1cc(Br)c(Cl)s1 ZINC000227732383 346310518 /nfs/dbraw/zinc/31/05/18/346310518.db2.gz ASKNHMCUXFBZBL-BYPYZUCNSA-N 1 0 254.580 3.444 10 0 CGAERO Cc1cc(Br)c([C@H]([NH3+])[C@H]2C[C@H]2C)s1 ZINC000227884339 346311850 /nfs/dbraw/zinc/31/18/50/346311850.db2.gz XIKZPEHBDIKIDM-XZKCWBSRSA-N 1 0 260.200 3.475 10 0 CGAERO CCc1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CC)s1 ZINC000231036452 346322273 /nfs/dbraw/zinc/32/22/73/346322273.db2.gz RQHLFVMRGBCMDN-KBPBESRZSA-N 1 0 278.465 3.369 10 0 CGAERO C[C@H](c1ccc[nH]1)N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000257353797 346400091 /nfs/dbraw/zinc/40/00/91/346400091.db2.gz TZDMGYBFGWUASD-CHWSQXEVSA-N 1 0 293.411 3.017 10 0 CGAERO C[C@@H]1C[C@]2(C[N@@H+]1Cc1ccccc1)N[C@H](C)CCS2 ZINC000306149563 346451286 /nfs/dbraw/zinc/45/12/86/346451286.db2.gz AWNDXGCIXDNQCF-FMKPAKJESA-N 1 0 276.449 3.092 10 0 CGAERO Fc1c(Cl)c(Br)ccc1[C@H]1C=CC[NH2+]1 ZINC000306542308 346454817 /nfs/dbraw/zinc/45/48/17/346454817.db2.gz QMKJUXSJJIUWHK-MRVPVSSYSA-N 1 0 276.536 3.442 10 0 CGAERO [NH3+][C@@H]1CC[C@@H]1c1c(Cl)cccc1Br ZINC000307272983 346461361 /nfs/dbraw/zinc/46/13/61/346461361.db2.gz HERXQPKIYXXXMS-IMTBSYHQSA-N 1 0 260.562 3.307 10 0 CGAERO C[C@@H]1[N@H+](Cc2ccccc2)CC[C@@]12N[C@H](C)CCS2 ZINC000307614780 346464339 /nfs/dbraw/zinc/46/43/39/346464339.db2.gz LUJLVGIRSOMEPO-YCPHGPKFSA-N 1 0 276.449 3.092 10 0 CGAERO O[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCCC12CCCC2 ZINC000310933611 346472062 /nfs/dbraw/zinc/47/20/62/346472062.db2.gz FOSFZXJBJGNTPJ-KFWWJZLASA-N 1 0 251.414 3.383 10 0 CGAERO Cc1sc2nc(C)nc(N[C@H](C)C[C@@H](C)[NH3+])c2c1C ZINC000388263319 346570426 /nfs/dbraw/zinc/57/04/26/346570426.db2.gz BKOLTVHSBNATGI-HTQZYQBOSA-N 1 0 278.425 3.154 10 0 CGAERO CC1(C)[C@H]([NH2+]C[C@H]2CCCC2(C)C)[C@@H]2CCO[C@H]21 ZINC000388841545 346571226 /nfs/dbraw/zinc/57/12/26/346571226.db2.gz HKHVIWHUGBQHGP-XJFOESAGSA-N 1 0 251.414 3.216 10 0 CGAERO CCN1CC[C@@H]([NH2+]C[C@H](c2ccccc2)C(C)C)C1 ZINC000389130508 346573003 /nfs/dbraw/zinc/57/30/03/346573003.db2.gz FBTYVOHNHLIFNU-SJORKVTESA-N 1 0 260.425 3.110 10 0 CGAERO C[C@@H](COCc1ccccc1)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000390589127 346574336 /nfs/dbraw/zinc/57/43/36/346574336.db2.gz OLRVHVNGFDYSHG-GOEBONIOSA-N 1 0 277.408 3.139 10 0 CGAERO CC[C@H]1C[NH2+]C[C@@H]1c1cccc(Br)c1 ZINC000536955483 346650610 /nfs/dbraw/zinc/65/06/10/346650610.db2.gz ZSHMDXWJMRPYKF-CABZTGNLSA-N 1 0 254.171 3.162 10 0 CGAERO Cc1ccc([C@@H](C[NH3+])N2CCCc3ccccc32)o1 ZINC000019771717 136578109 /nfs/dbraw/zinc/57/81/09/136578109.db2.gz COUBJYGWWZDIBR-OAHLLOKOSA-N 1 0 256.349 3.041 10 0 CGAERO 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CC[C@@H]([NH3+])[C@H](C)c1nc(-c2cccc(Cl)c2)no1 ZINC000104162295 185914388 /nfs/dbraw/zinc/91/43/88/185914388.db2.gz ZBNIFRFNOGCTMC-GZMMTYOYSA-N 1 0 265.744 3.231 10 0 CGAERO c1ccc(C[N@@H+]2CCCC[C@@H]2c2cncnc2)cc1 ZINC000616613440 348846419 /nfs/dbraw/zinc/84/64/19/348846419.db2.gz YSIOZSMMAYBSHY-MRXNPFEDSA-N 1 0 253.349 3.204 10 0 CGAERO Clc1cccc(-c2cnc([C@@H]3CCC[NH2+]3)cn2)c1 ZINC000616577494 348835063 /nfs/dbraw/zinc/83/50/63/348835063.db2.gz FYEYDJKRSVIRKT-LBPRGKRZSA-N 1 0 259.740 3.222 10 0 CGAERO CC(C)[N@@H+]1CCc2ccccc2[C@H]1c1cccc(C(N)=O)c1 ZINC000616587436 348836801 /nfs/dbraw/zinc/83/68/01/348836801.db2.gz XXSWPEOGMRPHGI-GOSISDBHSA-N 1 0 294.398 3.141 10 0 CGAERO CC[N@@H+]1CCOCC[C@@H]1c1cccc2cccnc21 ZINC000616597602 348840041 /nfs/dbraw/zinc/84/00/41/348840041.db2.gz CTETULSOYHJJMI-OAHLLOKOSA-N 1 0 256.349 3.018 10 0 CGAERO CC(C)[N@@H+]1CCCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000616620107 348848221 /nfs/dbraw/zinc/84/82/21/348848221.db2.gz CNVJJLJDLPHKDU-ZDUSSCGKSA-N 1 0 270.417 3.164 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C[C@H]([NH2+]CC(=O)NCC1CCC1)c1ccc(F)c(Cl)c1 ZINC000180743071 542214271 /nfs/dbraw/zinc/21/42/71/542214271.db2.gz CRIJDXKHFLYAJW-JTQLQIEISA-N 1 0 298.789 3.046 10 0 CGAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccc(Cl)s1 ZINC000252662071 377647482 /nfs/dbraw/zinc/64/74/82/377647482.db2.gz UDADHSMTIWIDAX-NEPJUHHUSA-N 1 0 284.856 3.460 10 0 CGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccccc1Cl ZINC000252577633 377637858 /nfs/dbraw/zinc/63/78/58/377637858.db2.gz JHUOVFAUUZIJNP-CABCVRRESA-N 1 0 278.827 3.399 10 0 CGAERO CCOC(=O)C[C@@H]([NH3+])c1ccccc1OCc1ccccc1 ZINC000575438020 377909965 /nfs/dbraw/zinc/90/99/65/377909965.db2.gz CANZKSWAUDWALQ-MRXNPFEDSA-N 1 0 299.370 3.219 10 0 CGAERO CCOc1ccc(Br)cc1[C@H]([NH3+])CCF ZINC000575438632 377911276 /nfs/dbraw/zinc/91/12/76/377911276.db2.gz MQTIOGJJOSVYPY-SNVBAGLBSA-N 1 0 276.149 3.207 10 0 CGAERO [NH3+][C@H](CCF)c1ccc(Cl)c(Br)c1 ZINC000575440283 377912666 /nfs/dbraw/zinc/91/26/66/377912666.db2.gz YSOGGCMRGWOUEP-SECBINFHSA-N 1 0 266.541 3.462 10 0 CGAERO CC[C@H]([NH3+])c1ccc(F)c(Br)c1F ZINC000575484368 377914970 /nfs/dbraw/zinc/91/49/70/377914970.db2.gz IHMYJOLWHWDKOQ-ZETCQYMHSA-N 1 0 250.086 3.137 10 0 CGAERO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CC(C)(C)OC2(C)C)C[C@H](C)O1 ZINC000343595358 378033906 /nfs/dbraw/zinc/03/39/06/378033906.db2.gz JUVQNIRTLPZNCK-XJFOESAGSA-N 1 0 269.429 3.126 10 0 CGAERO CC[C@@H](CC(=O)N(C)[C@H]1CCC[NH2+]CC1)C(C)(C)C ZINC000638193272 378730696 /nfs/dbraw/zinc/73/06/96/378730696.db2.gz QXCHESFXSCRMLR-KBPBESRZSA-N 1 0 268.445 3.049 10 0 CGAERO Cc1cc([C@H](C)[NH2+][C@H]2CCCC[C@H]2CO)c(C)o1 ZINC000278696345 379405099 /nfs/dbraw/zinc/40/50/99/379405099.db2.gz KSWPGVHFWHLLBF-WHOFXGATSA-N 1 0 251.370 3.098 10 0 CGAERO C[C@@H]1CC(C[NH2+]Cc2c(F)cccc2F)C[C@@H](C)O1 ZINC000282189310 379871417 /nfs/dbraw/zinc/87/14/17/379871417.db2.gz KPOKQPKEOPOCPS-GHMZBOCLSA-N 1 0 269.335 3.258 10 0 CGAERO C[C@@H]1C[N@@H+]([C@@H]2CCSc3ccccc32)C[C@@]1(C)C[NH3+] ZINC000388256444 379882678 /nfs/dbraw/zinc/88/26/78/379882678.db2.gz JRXUBWNUBYVCJW-XNRPHZJLSA-N 1 0 276.449 3.140 10 0 CGAERO C[C@@H]([NH2+]CC1(C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400400996 379949491 /nfs/dbraw/zinc/94/94/91/379949491.db2.gz KSLMWKLNTXILTO-CHWSQXEVSA-N 1 0 282.428 3.022 10 0 CGAERO C[C@H]([NH2+]CC1CCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400453398 379951119 /nfs/dbraw/zinc/95/11/19/379951119.db2.gz RQXCHNNCRMKVEU-JSGCOSHPSA-N 1 0 282.428 3.022 10 0 CGAERO C[C@H](N[C@@H](C)[C@@H]1CC[NH2+]C1)c1ccccc1Br ZINC000400799347 379953292 /nfs/dbraw/zinc/95/32/92/379953292.db2.gz UDIMHBQIGNHDPB-SDDRHHMPSA-N 1 0 297.240 3.098 10 0 CGAERO C[C@@H](N[C@@H](C)c1c(F)cccc1F)[C@@H]1CCC[NH2+]C1 ZINC000643452455 380308565 /nfs/dbraw/zinc/30/85/65/380308565.db2.gz SWKGDSYJIUGXQE-GRYCIOLGSA-N 1 0 268.351 3.004 10 0 CGAERO FC(F)(F)c1ccc(Cl)c(CNC[C@@H]2CC[NH2+]C2)c1 ZINC000414905554 380483968 /nfs/dbraw/zinc/48/39/68/380483968.db2.gz LLPOAUOSYBFHIB-SECBINFHSA-N 1 0 292.732 3.058 10 0 CGAERO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000226127747 542291025 /nfs/dbraw/zinc/29/10/25/542291025.db2.gz VOAXRYAQUOHGPE-GMTAPVOTSA-N 1 0 253.308 3.001 10 0 CGAERO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCO[C@@H]2C)cc1F ZINC000235527805 542312724 /nfs/dbraw/zinc/31/27/24/542312724.db2.gz IWMCTLLTEPZLIF-OUCADQQQSA-N 1 0 251.345 3.210 10 0 CGAERO C[C@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1ccc(Cl)s1 ZINC000261885073 542355750 /nfs/dbraw/zinc/35/57/50/542355750.db2.gz ZQHZJWYNQPGJAW-LPEHRKFASA-N 1 0 286.828 3.096 10 0 CGAERO COc1cc(C)ccc1[C@H](C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000324305132 542441587 /nfs/dbraw/zinc/44/15/87/542441587.db2.gz XFJAIFNHWLDDSU-SWLSCSKDSA-N 1 0 265.397 3.061 10 0 CGAERO CO[C@H](C[NH2+]C(C)(C)C)c1ccc2c(c1)COC(C)(C)O2 ZINC000504557943 533192498 /nfs/dbraw/zinc/19/24/98/533192498.db2.gz DAROFXKWOGGDIT-OAHLLOKOSA-N 1 0 293.407 3.407 10 0 CGAERO C[C@H]([NH2+][C@H]1CCOc2ccccc21)[C@H]1CCCCO1 ZINC000379163005 542593748 /nfs/dbraw/zinc/59/37/48/542593748.db2.gz HSNVDIGFXCBGBS-AEGPPILISA-N 1 0 261.365 3.057 10 0 CGAERO CCC(CC)C[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190478180 130109266 /nfs/dbraw/zinc/10/92/66/130109266.db2.gz IGOLXEKPMRFTDC-SFHVURJKSA-N 1 0 289.467 3.272 10 0 CGAERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(Cl)cc2C)C1 ZINC000048769310 392012085 /nfs/dbraw/zinc/01/20/85/392012085.db2.gz YTYWOUOBKFSXRY-ZDUSSCGKSA-N 1 0 295.814 3.254 10 0 CGAERO CC(C)[C@@H](C)NC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000221752460 130785609 /nfs/dbraw/zinc/78/56/09/130785609.db2.gz YBDLUDGVKVVWHB-RBSFLKMASA-N 1 0 297.487 3.087 10 0 CGAERO C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1ccccc1OC(F)F ZINC000222465121 130789997 /nfs/dbraw/zinc/78/99/97/130789997.db2.gz GLWLZXFFGZTDQS-VHSXEESVSA-N 1 0 281.306 3.423 10 0 CGAERO c1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1COc2ccccc21 ZINC000070528746 392183584 /nfs/dbraw/zinc/18/35/84/392183584.db2.gz YYXGWVMCQOWRGK-HZPDHXFCSA-N 1 0 251.329 3.397 10 0 CGAERO c1ccc2oc(SC3C[C@H]4CC[C@@H](C3)[NH2+]4)nc2c1 ZINC000095908601 392244006 /nfs/dbraw/zinc/24/40/06/392244006.db2.gz RNDDZVRMCAODOL-ZACCUICWSA-N 1 0 260.362 3.203 10 0 CGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(C(F)(F)F)cc1 ZINC000083550817 392222925 /nfs/dbraw/zinc/22/29/25/392222925.db2.gz ZDYVEYMWTVRHJU-SWLSCSKDSA-N 1 0 298.352 3.374 10 0 CGAERO CC[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1cccc(F)c1 ZINC000249129763 131121047 /nfs/dbraw/zinc/12/10/47/131121047.db2.gz SBBCFWBOEOVIPN-TUKIKUTGSA-N 1 0 251.345 3.434 10 0 CGAERO CC[NH+](CC)[C@H]1CCN([C@H]2CCCc3ccccc32)C1=O ZINC000367066754 392466984 /nfs/dbraw/zinc/46/69/84/392466984.db2.gz KOPFUCISRRHUBD-IRXDYDNUSA-N 1 0 286.419 3.007 10 0 CGAERO CC(C)CC1(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)CCC1 ZINC000158900030 392578940 /nfs/dbraw/zinc/57/89/40/392578940.db2.gz PYHCMWFJBWDAEI-CABCVRRESA-N 1 0 280.456 3.048 10 0 CGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1csc(C2CC2)n1 ZINC000162112565 392591217 /nfs/dbraw/zinc/59/12/17/392591217.db2.gz PPWIKBIPNHIVPD-HUUCEWRRSA-N 1 0 291.464 3.079 10 0 CGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ncnc2ccc(C)cc21 ZINC000301960081 392604641 /nfs/dbraw/zinc/60/46/41/392604641.db2.gz PWVHGMQGLMQVBT-GJZGRUSLSA-N 1 0 296.418 3.001 10 0 CGAERO O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cn1 ZINC000373003759 392655459 /nfs/dbraw/zinc/65/54/59/392655459.db2.gz WFOYFWWHNVBSLC-OWCLPIDISA-N 1 0 294.826 3.251 10 0 CGAERO CSC[C@@H](O)C[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000188230685 392798988 /nfs/dbraw/zinc/79/89/88/392798988.db2.gz UKPLRPRPARIQAG-ZFWWWQNUSA-N 1 0 279.449 3.014 10 0 CGAERO Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000191861529 392835265 /nfs/dbraw/zinc/83/52/65/392835265.db2.gz NEMZCLXABMCTNQ-PVUWLOKVSA-N 1 0 285.391 3.147 10 0 CGAERO C=Cn1cc(C[N@@H+](C)[C@@H]2C[C@H](OCC)C23CCCC3)cn1 ZINC000193995434 392893712 /nfs/dbraw/zinc/89/37/12/392893712.db2.gz FOBLNAJVXOOMRT-CVEARBPZSA-N 1 0 289.423 3.153 10 0 CGAERO CC[C@H](C)[C@H](C[NH2+][C@H]1CCOc2ccccc21)OC ZINC000381162563 392905691 /nfs/dbraw/zinc/90/56/91/392905691.db2.gz NZRRXQADAOWOGE-NOLJZWGESA-N 1 0 263.381 3.161 10 0 CGAERO C[C@H]([NH2+]CC[C@@H]1CCCO1)[C@@H]1CC2CCC1CC2 ZINC000381587026 392911071 /nfs/dbraw/zinc/91/10/71/392911071.db2.gz CVEHJTVSVFNHID-WVTZPBJPSA-N 1 0 251.414 3.360 10 0 CGAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000376053374 392857315 /nfs/dbraw/zinc/85/73/15/392857315.db2.gz DTYLWGVJPRASOU-UXXRCYHCSA-N 1 0 251.414 3.073 10 0 CGAERO CCc1ccc([C@H](CC)[NH2+]C[C@@H]2[C@H]3COC[C@H]32)cc1 ZINC000376071832 392859311 /nfs/dbraw/zinc/85/93/11/392859311.db2.gz YJRNLKMJMFZZDC-NXOAAHMSSA-N 1 0 259.393 3.182 10 0 CGAERO Cc1ccc(OCCC[NH2+][C@H](C)[C@H]2CCCO2)cc1C ZINC000193120225 392869844 /nfs/dbraw/zinc/86/98/44/392869844.db2.gz IXAHFVZXIPBLLX-NVXWUHKLSA-N 1 0 277.408 3.229 10 0 CGAERO CC(C)=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400322580 392947776 /nfs/dbraw/zinc/94/77/76/392947776.db2.gz AGUGNWWZIAJBFQ-KGLIPLIRSA-N 1 0 282.428 3.188 10 0 CGAERO CC[C@H]1CN(c2ccc(C)cc2F)[C@@H](CC)C[NH2+]1 ZINC000083383612 135017489 /nfs/dbraw/zinc/01/74/89/135017489.db2.gz NWYUDSKBBXZRKL-STQMWFEESA-N 1 0 250.361 3.101 10 0 CGAERO CC[C@@H]1CN(c2cccc(Cl)c2)[C@@H](CC)C[NH2+]1 ZINC000083394343 135018493 /nfs/dbraw/zinc/01/84/93/135018493.db2.gz HRSSQYHVDSDEGD-OLZOCXBDSA-N 1 0 252.789 3.307 10 0 CGAERO CC(C)[C@@H]1CN(c2ccc3ccccc3c2)CC[NH2+]1 ZINC000083399812 135019400 /nfs/dbraw/zinc/01/94/00/135019400.db2.gz YPWRCVCVXPBTLX-KRWDZBQOSA-N 1 0 254.377 3.274 10 0 CGAERO CCCCc1ccc(N2CC[NH2+]C[C@@H]2C(C)C)cc1 ZINC000083441749 135021874 /nfs/dbraw/zinc/02/18/74/135021874.db2.gz GHIPOAGTOQCLJL-QGZVFWFLSA-N 1 0 260.425 3.463 10 0 CGAERO CCOc1ccccc1N1C[C@@H](CC)[NH2+]C[C@@H]1CC ZINC000083457247 135023033 /nfs/dbraw/zinc/02/30/33/135023033.db2.gz BGCFZQRLMPYTKJ-KGLIPLIRSA-N 1 0 262.397 3.052 10 0 CGAERO CC(C)[C@H]1CN(c2cccc(Cl)c2F)[C@@H](C)C[NH2+]1 ZINC000083518095 135026711 /nfs/dbraw/zinc/02/67/11/135026711.db2.gz JTKXWLYEIALLKE-CMPLNLGQSA-N 1 0 270.779 3.302 10 0 CGAERO CC(C)[C@@H]1CN(c2ccc(Cl)c(F)c2)[C@H](C)C[NH2+]1 ZINC000083518096 135026765 /nfs/dbraw/zinc/02/67/65/135026765.db2.gz FXNQPSRSMRJXFF-YGRLFVJLSA-N 1 0 270.779 3.302 10 0 CGAERO CC[C@@H]1C[NH2+][C@H](C)CN1c1cccc(C(F)(F)F)c1 ZINC000083535421 135027162 /nfs/dbraw/zinc/02/71/62/135027162.db2.gz MPQCJZZIHVTOER-ZYHUDNBSSA-N 1 0 272.314 3.282 10 0 CGAERO C[C@@H](CCc1ccccc1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000172055891 533673246 /nfs/dbraw/zinc/67/32/46/533673246.db2.gz RLGFQAZIAZNHQP-RDJZCZTQSA-N 1 0 283.419 3.231 10 0 CGAERO COCc1nc(C[NH2+]CC2CCC(F)(F)CC2)cs1 ZINC000669686151 543118488 /nfs/dbraw/zinc/11/84/88/543118488.db2.gz JBSDAUUQCUUKHP-UHFFFAOYSA-N 1 0 290.379 3.205 10 0 CGAERO CC(C)c1nn(C)cc1-c1ccc([C@@H](C)[NH3+])c(F)c1 ZINC000675069513 543312926 /nfs/dbraw/zinc/31/29/26/543312926.db2.gz HRZRUSBVBZYJJC-SNVBAGLBSA-N 1 0 261.344 3.369 10 0 CGAERO C[C@@H]1[C@@H](C)CCC[N@@H+]1CCOc1cncc(Cl)c1 ZINC000675075911 543313594 /nfs/dbraw/zinc/31/35/94/543313594.db2.gz GPVYOOSHCMUUMY-NWDGAFQWSA-N 1 0 268.788 3.234 10 0 CGAERO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccc(Cl)o1 ZINC000678291245 543511917 /nfs/dbraw/zinc/51/19/17/543511917.db2.gz IQKLGYKEHLHSLR-OLZOCXBDSA-N 1 0 282.815 3.382 10 0 CGAERO COCC(COC)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000504000227 292203369 /nfs/dbraw/zinc/20/33/69/292203369.db2.gz KEGXRIJVKWNGJA-UHFFFAOYSA-N 1 0 299.414 3.350 10 0 CGAERO Cc1ccc([C@@H]([NH2+][C@H]2CCc3ncnn3C2)C2CCC2)cc1 ZINC000187328479 292206061 /nfs/dbraw/zinc/20/60/61/292206061.db2.gz XCKAWQGCHGSAKQ-WMZOPIPTSA-N 1 0 296.418 3.032 10 0 CGAERO COc1cc2c(cc1OC)[C@@H](C1CCCCC1)[NH2+]CC2 ZINC000011598985 286259798 /nfs/dbraw/zinc/25/97/98/286259798.db2.gz WCIGAVRPVAPXAG-QGZVFWFLSA-N 1 0 275.392 3.471 10 0 CGAERO CC[C@@H]([NH2+][C@H]1CCCc2ccc(OC)cc21)C(C)(C)O ZINC000294967476 286931695 /nfs/dbraw/zinc/93/16/95/286931695.db2.gz JRAINYAZXJGLBP-JKSUJKDBSA-N 1 0 277.408 3.212 10 0 CGAERO Cc1cc(C[NH2+][C@H]2C[C@H]2C)ccc1Br ZINC000073852687 287006900 /nfs/dbraw/zinc/00/69/00/287006900.db2.gz QWOSBNFEXXQBNY-SKDRFNHKSA-N 1 0 254.171 3.256 10 0 CGAERO CC(C)CCCCCCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000070577503 165064485 /nfs/dbraw/zinc/06/44/85/165064485.db2.gz VXQZRSUVGXNWDX-LSDHHAIUSA-N 1 0 268.445 3.227 10 0 CGAERO CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000079341383 165143383 /nfs/dbraw/zinc/14/33/83/165143383.db2.gz MVJIWPXJHFHREL-ZIAGYGMSSA-N 1 0 268.445 3.179 10 0 CGAERO CC(C)(C)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000079341808 165144728 /nfs/dbraw/zinc/14/47/28/165144728.db2.gz XRJKUUKPFLAZLP-CVEARBPZSA-N 1 0 288.435 3.361 10 0 CGAERO CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2nnc3n2CCCCC3)C1 ZINC000080456300 165157747 /nfs/dbraw/zinc/15/77/47/165157747.db2.gz QGOLFGKIVXNSFS-BFHYXJOUSA-N 1 0 276.428 3.234 10 0 CGAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000090455061 287101906 /nfs/dbraw/zinc/10/19/06/287101906.db2.gz CVMFJADDCAGCQH-FMKPAKJESA-N 1 0 275.440 3.462 10 0 CGAERO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000090224093 165232270 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CCC(CC)[C@@H](C[NH2+][C@@H](C)CC(C)(C)OC)N(C)C ZINC000020524769 171237818 /nfs/dbraw/zinc/23/78/18/171237818.db2.gz SQPLABWNOCWNPB-DZGCQCFKSA-N 1 0 272.477 3.146 10 0 CGAERO C[C@H]([NH2+]CCc1ccccc1)c1ccc(O)c(F)c1 ZINC000020551090 171247158 /nfs/dbraw/zinc/24/71/58/171247158.db2.gz BEDICMIKJUWUAC-LBPRGKRZSA-N 1 0 259.324 3.425 10 0 CGAERO CCN(c1ccccc1C)[C@H](C[NH3+])Cc1ccccc1 ZINC000020552213 171247243 /nfs/dbraw/zinc/24/72/43/171247243.db2.gz HCDNCOQXPHTLHY-KRWDZBQOSA-N 1 0 268.404 3.391 10 0 CGAERO Clc1ccc(C[NH2+]C[C@H]2COc3ccccc3O2)cc1 ZINC000021026502 171291287 /nfs/dbraw/zinc/29/12/87/171291287.db2.gz VKCATXZEYBQGIR-AWEZNQCLSA-N 1 0 289.762 3.270 10 0 CGAERO CCC[C@@H]([NH3+])[C@H](CC)Oc1ccc(OCC)cc1 ZINC000021060907 171297170 /nfs/dbraw/zinc/29/71/70/171297170.db2.gz PVMHHWTUIDBJLP-CABCVRRESA-N 1 0 251.370 3.370 10 0 CGAERO CC(C)C[C@H](C[NH2+]C1[C@@H](C)CCC[C@@H]1C)N1CCOCC1 ZINC000021810743 171328931 /nfs/dbraw/zinc/32/89/31/171328931.db2.gz YQIWZABSEGRHAM-YESZJQIVSA-N 1 0 296.499 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3.391 10 0 CGAERO COc1ccc(OC)c([C@H]([NH3+])COC2CCCCC2)c1 ZINC000022566316 171391918 /nfs/dbraw/zinc/39/19/18/171391918.db2.gz SZEXKRIJPCCMFB-OAHLLOKOSA-N 1 0 279.380 3.053 10 0 CGAERO Cc1ccc(O[C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1C ZINC000022567230 171392506 /nfs/dbraw/zinc/39/25/06/171392506.db2.gz RBLIQFIMQMJNBX-IAGOWNOFSA-N 1 0 253.345 3.307 10 0 CGAERO C[NH2+][C@H](C)c1ccc(OCC(F)(F)C(F)F)cc1 ZINC000034845226 171887861 /nfs/dbraw/zinc/88/78/61/171887861.db2.gz KWHHVUSSURPOSC-MRVPVSSYSA-N 1 0 265.250 3.246 10 0 CGAERO [NH3+]CCCc1nc2cc(C(F)(F)F)ccc2s1 ZINC000034959405 171905177 /nfs/dbraw/zinc/90/51/77/171905177.db2.gz CIUSLQDFDRNLMD-UHFFFAOYSA-N 1 0 260.284 3.206 10 0 CGAERO CCC(CC)[NH2+]CC(=O)Nc1cc(Cl)ccc1C ZINC000035159861 172017893 /nfs/dbraw/zinc/01/78/93/172017893.db2.gz JUHUJIXGGJSFBD-UHFFFAOYSA-N 1 0 268.788 3.365 10 0 CGAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC000035221887 172064511 /nfs/dbraw/zinc/06/45/11/172064511.db2.gz AMRSQKYQOKONMJ-CJNGLKHVSA-N 1 0 288.435 3.347 10 0 CGAERO COc1ccc([C@@H]([NH3+])c2ccsc2)cc1Cl ZINC000035381581 172164466 /nfs/dbraw/zinc/16/44/66/172164466.db2.gz FNOUDIFKUBIKBM-GFCCVEGCSA-N 1 0 253.754 3.458 10 0 CGAERO C[NH2+][C@H](c1ccc(F)cc1)[C@H]1Cc2ccccc2O1 ZINC000035463713 172211751 /nfs/dbraw/zinc/21/17/51/172211751.db2.gz JNAUIBPCZCYLFX-HZPDHXFCSA-N 1 0 257.308 3.090 10 0 CGAERO C[NH2+][C@H](c1cc2c(cc1Cl)OCCCO2)C(C)C ZINC000035501130 172234670 /nfs/dbraw/zinc/23/46/70/172234670.db2.gz LEDCANPHWVQBIY-AWEZNQCLSA-N 1 0 269.772 3.418 10 0 CGAERO C[NH2+][C@H](c1cc(OC)c(OC)cc1Cl)C(C)C ZINC000035501214 172235793 /nfs/dbraw/zinc/23/57/93/172235793.db2.gz CIUXCZVIIVHDBU-ZDUSSCGKSA-N 1 0 257.761 3.274 10 0 CGAERO CCC[NH2+][C@H](c1cc(F)ccc1F)[C@H]1CCCO1 ZINC000035580305 172276172 /nfs/dbraw/zinc/27/61/72/172276172.db2.gz NILNWONGEGAULY-ZIAGYGMSSA-N 1 0 255.308 3.185 10 0 CGAERO CCC[NH2+][C@@H](c1c(F)cc(F)cc1F)[C@H]1CCCO1 ZINC000035580912 172276401 /nfs/dbraw/zinc/27/64/01/172276401.db2.gz LYHPVRLRPOBUMX-TZMCWYRMSA-N 1 0 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CGAERO COc1ccc(-c2csc(C[NH2+]C3CC3)n2)cc1 ZINC000045206531 175328432 /nfs/dbraw/zinc/32/84/32/175328432.db2.gz PDEYXSBCSOKMGY-UHFFFAOYSA-N 1 0 260.362 3.071 10 0 CGAERO C[NH2+][C@H](c1ccc2c(c1)CCCC2)[C@H]1CCCCO1 ZINC000050961290 175521608 /nfs/dbraw/zinc/52/16/08/175521608.db2.gz MBFAIFGXZQRMFA-IAGOWNOFSA-N 1 0 259.393 3.395 10 0 CGAERO CC[C@H]([NH2+]C)c1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000061498160 175649166 /nfs/dbraw/zinc/64/91/66/175649166.db2.gz QHMDLFBCSVDJAO-JTQLQIEISA-N 1 0 277.393 3.347 10 0 CGAERO C[NH2+]C[C@@H]1CCCN1CCOc1ccc(C(C)C)c(C)c1 ZINC000128382551 287309430 /nfs/dbraw/zinc/30/94/30/287309430.db2.gz PYCDPFSHQHQAGJ-INIZCTEOSA-N 1 0 290.451 3.181 10 0 CGAERO CCCCCC[NH2+]C[C@H](O)COCCCCCC ZINC000070192153 175881687 /nfs/dbraw/zinc/88/16/87/175881687.db2.gz STCNPVJMXGSSML-HNNXBMFYSA-N 1 0 259.434 3.114 10 0 CGAERO c1ccc2c(c1)cccc2[C@H]1C[NH2+]C[C@H](C2CC2)O1 ZINC000071308821 176116119 /nfs/dbraw/zinc/11/61/19/176116119.db2.gz KMPPAXSSTUUYAI-IAGOWNOFSA-N 1 0 253.345 3.279 10 0 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COc1cc(C)c([C@H](CO)[NH2+]C(C)C)cc1C(C)C ZINC000071598026 176221668 /nfs/dbraw/zinc/22/16/68/176221668.db2.gz BSMWJHIREYQNDQ-HNNXBMFYSA-N 1 0 265.397 3.158 10 0 CGAERO CC[NH2+][C@H](C)[C@@H](O)c1cc(Cl)c(OCC)cc1C ZINC000071611250 176231703 /nfs/dbraw/zinc/23/17/03/176231703.db2.gz KHHWYQUDBDBYON-QMTHXVAHSA-N 1 0 271.788 3.079 10 0 CGAERO COc1cccc([C@H]2[NH2+]CC3(CC3)c3cc(OC)ccc32)c1 ZINC000071650855 176241281 /nfs/dbraw/zinc/24/12/81/176241281.db2.gz KORDKGXDAYFYEA-GOSISDBHSA-N 1 0 295.382 3.428 10 0 CGAERO Cc1cc(Cl)ccc1NC(=O)C1(C[NH3+])CCCCC1 ZINC000076477069 177025600 /nfs/dbraw/zinc/02/56/00/177025600.db2.gz IPZXLIBPHGDCMU-UHFFFAOYSA-N 1 0 280.799 3.496 10 0 CGAERO [NH3+]CC1(C(=O)Nc2ccc(F)c(Cl)c2)CCCCC1 ZINC000076492787 177027868 /nfs/dbraw/zinc/02/78/68/177027868.db2.gz PBWJXKGRNWRDRM-UHFFFAOYSA-N 1 0 284.762 3.327 10 0 CGAERO COc1ccc([C@H](C[NH3+])CC(C)C)c(OC)c1C ZINC000076656021 177045396 /nfs/dbraw/zinc/04/53/96/177045396.db2.gz WIYPXKRIERRJFG-LBPRGKRZSA-N 1 0 251.370 3.101 10 0 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279025775 /nfs/dbraw/zinc/02/57/75/279025775.db2.gz CEBQWPLNTPOGHH-SNRMKQJTSA-N 1 0 295.430 3.486 10 0 CGAERO C[C@@H]1[NH2+]CCC[C@H]1NCc1c(Cl)cccc1Cl ZINC000414959380 279035914 /nfs/dbraw/zinc/03/59/14/279035914.db2.gz SZHUXPLBORAKCF-TVQRCGJNSA-N 1 0 273.207 3.224 10 0 CGAERO Cc1nc(C)c([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@@H]2O)s1 ZINC000178358782 279079831 /nfs/dbraw/zinc/07/98/31/279079831.db2.gz XBKSMEPXCNSEEU-LKTVYLICSA-N 1 0 288.416 3.069 10 0 CGAERO CCN1CCC[C@@H]([NH2+][C@H](CCC(C)C)C2CC2)C1 ZINC000310688789 279295163 /nfs/dbraw/zinc/29/51/63/279295163.db2.gz WCYJRPOVLYZSPP-HZPDHXFCSA-N 1 0 252.446 3.275 10 0 CGAERO CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000222437752 279323021 /nfs/dbraw/zinc/32/30/21/279323021.db2.gz SZPYQKPXZRBTAR-UPJWGTAASA-N 1 0 278.362 3.181 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCCCC[C@@H]1O)c1ccc(Cl)cn1 ZINC000348738637 290004379 /nfs/dbraw/zinc/00/43/79/290004379.db2.gz AEBFTBYFNXSCDG-GDLCADMTSA-N 1 0 268.788 3.079 10 0 CGAERO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2ccnc3ccsc32)C1 ZINC000248663720 290240778 /nfs/dbraw/zinc/24/07/78/290240778.db2.gz KDIZCHXJSLGPDB-JSGCOSHPSA-N 1 0 287.432 3.217 10 0 CGAERO C[C@@H]1C[NH2+]C(C)(C)CN1c1ccc(Br)cc1 ZINC000058466224 525087310 /nfs/dbraw/zinc/08/73/10/525087310.db2.gz KRDJFPTVDXDESH-SNVBAGLBSA-N 1 0 283.213 3.026 10 0 CGAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CC1CCCCC1 ZINC000083704548 300307986 /nfs/dbraw/zinc/30/79/86/300307986.db2.gz USQWUJGJMCQEKT-GOEBONIOSA-N 1 0 250.430 3.125 10 0 CGAERO [NH3+]CCCCCCC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000036827041 303374611 /nfs/dbraw/zinc/37/46/11/303374611.db2.gz RENBSQLGSUGRBO-HUUCEWRRSA-N 1 0 266.429 3.077 10 0 CGAERO CCN1CC[C@@H]([NH2+][C@H](C)c2oc3ccccc3c2C)C1 ZINC000389258880 328721644 /nfs/dbraw/zinc/72/16/44/328721644.db2.gz OHSMOCGNSZXKIW-ZIAGYGMSSA-N 1 0 272.392 3.486 10 0 CGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCC1(O)CCC1 ZINC000397710130 329386619 /nfs/dbraw/zinc/38/66/19/329386619.db2.gz OTLWQIRFSYHGIK-QLFBSQMISA-N 1 0 253.430 3.342 10 0 CGAERO CC(C)c1ccc([C@H](C[NH3+])C2(CO)CCCC2)cc1 ZINC000536955366 330383083 /nfs/dbraw/zinc/38/30/83/330383083.db2.gz XPCBFQLWAVIWGN-INIZCTEOSA-N 1 0 261.409 3.405 10 0 CGAERO CCn1ccc([C@H]2[NH2+]CC23CCC(F)(F)CC3)c1 ZINC000536960698 330384194 /nfs/dbraw/zinc/38/41/94/330384194.db2.gz SMZFHHVPZKBLFW-GFCCVEGCSA-N 1 0 254.324 3.348 10 0 CGAERO CSCC1CCC([NH2+][C@H]2CCCC[C@@H]2CO)CC1 ZINC000385743071 336155599 /nfs/dbraw/zinc/15/55/99/336155599.db2.gz WGFRMEZWLGBVGR-JYVUQVBGSA-N 1 0 271.470 3.049 10 0 CGAERO CC(C)[NH2+]Cc1nc(COc2ccccc2)cs1 ZINC000052668037 519729146 /nfs/dbraw/zinc/72/91/46/519729146.db2.gz PXOQVJPEFUTSHY-UHFFFAOYSA-N 1 0 262.378 3.220 10 0 CGAERO CCC[NH2+]CCOCc1ccc(OC(F)(F)F)cc1 ZINC000051844607 519918707 /nfs/dbraw/zinc/91/87/07/519918707.db2.gz NECHHHLACWOCNR-UHFFFAOYSA-N 1 0 277.286 3.101 10 0 CGAERO CC[NH2+]C[C@@H](OCC(F)(F)F)c1cccc(C)c1 ZINC000050502239 519948056 /nfs/dbraw/zinc/94/80/56/519948056.db2.gz JXBDZSRYTDEBTM-GFCCVEGCSA-N 1 0 261.287 3.225 10 0 CGAERO CCC[NH2+][C@@H](C)CCCCS(=O)(=O)c1ccccc1 ZINC000061702726 519985450 /nfs/dbraw/zinc/98/54/50/519985450.db2.gz DURGZGJZUJLUHC-AWEZNQCLSA-N 1 0 283.437 3.019 10 0 CGAERO CC[NH2+]Cc1sc(N2CCCC2)nc1C(C)(C)C ZINC000054995152 520032311 /nfs/dbraw/zinc/03/23/11/520032311.db2.gz XJLBYEBRPADBHJ-UHFFFAOYSA-N 1 0 267.442 3.150 10 0 CGAERO CCC[NH2+][C@H](COCCC)c1ccc(F)cc1F ZINC000055239088 520082699 /nfs/dbraw/zinc/08/26/99/520082699.db2.gz RKUDSAXVWQFNFY-CQSZACIVSA-N 1 0 257.324 3.432 10 0 CGAERO CCNc1snnc1C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000050815633 520387424 /nfs/dbraw/zinc/38/74/24/520387424.db2.gz VTHNPXBIQUUHLT-CYBMUJFWSA-N 1 0 280.441 3.125 10 0 CGAERO CCC[C@@H](C)[NH2+]CCN(C)Cc1cccc(F)c1 ZINC000053373973 520665769 /nfs/dbraw/zinc/66/57/69/520665769.db2.gz QIMCTLFZNDJHRE-CYBMUJFWSA-N 1 0 252.377 3.036 10 0 CGAERO CCN(c1cccc(C)c1)[C@@]1(C[NH3+])CCCSC1 ZINC000061590102 521493882 /nfs/dbraw/zinc/49/38/82/521493882.db2.gz CHAFOCCKYHLRDO-OAHLLOKOSA-N 1 0 264.438 3.046 10 0 CGAERO CCCc1nc(N2CCCC2)sc1C[NH2+]CC(C)C ZINC000054995135 521531084 /nfs/dbraw/zinc/53/10/84/521531084.db2.gz VALLRGPMJBNKOU-UHFFFAOYSA-N 1 0 281.469 3.441 10 0 CGAERO COCC[C@H](C[NH2+]CC(C)C)Cc1ccc(C)cc1 ZINC000052974658 521924938 /nfs/dbraw/zinc/92/49/38/521924938.db2.gz XRBKATHMVIINJW-KRWDZBQOSA-N 1 0 263.425 3.436 10 0 CGAERO C[NH2+]C(C)(C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000061300166 521938619 /nfs/dbraw/zinc/93/86/19/521938619.db2.gz REXZOLQEYABLMN-UHFFFAOYSA-N 1 0 294.704 3.295 10 0 CGAERO C[NH2+]C[C@@H]1CCCCN1c1ccccc1C(F)(F)F ZINC000053706785 522041234 /nfs/dbraw/zinc/04/12/34/522041234.db2.gz RLYCRKNGUJEPPR-NSHDSACASA-N 1 0 272.314 3.284 10 0 CGAERO Brc1csc(C[C@@H]2CCCC[NH2+]2)c1 ZINC000062772386 518237535 /nfs/dbraw/zinc/23/75/35/518237535.db2.gz BGWGCPSEUKRXCP-VIFPVBQESA-N 1 0 260.200 3.195 10 0 CGAERO CC(C)(C)[NH2+]C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000055029770 518761733 /nfs/dbraw/zinc/76/17/33/518761733.db2.gz OUPQSWOQNNVXEI-NSHDSACASA-N 1 0 262.180 3.415 10 0 CGAERO CC(C)(C)c1ccc(CC2(C[NH3+])CCOCC2)cc1 ZINC000061673933 519025174 /nfs/dbraw/zinc/02/51/74/519025174.db2.gz IFFWBIAPIJORGB-UHFFFAOYSA-N 1 0 261.409 3.282 10 0 CGAERO CC(C)C[C@@H]1CN[C@@H](C(C)C)C[N@@H+]1C1CCCC1 ZINC000062624648 519274218 /nfs/dbraw/zinc/27/42/18/519274218.db2.gz NSCGMJTZXYZKTP-HZPDHXFCSA-N 1 0 252.446 3.274 10 0 CGAERO CC(C)N(CC(F)(F)F)C[C@](C)([NH3+])c1ccccc1 ZINC000052883598 519638109 /nfs/dbraw/zinc/63/81/09/519638109.db2.gz PVNFPRJHBKCMAV-ZDUSSCGKSA-N 1 0 274.330 3.133 10 0 CGAERO CC(C)[NH2+]C[C@@H](C(C)C)N(Cc1ccco1)C1CC1 ZINC000052370781 519722649 /nfs/dbraw/zinc/72/26/49/519722649.db2.gz HFOVSPHNEVQUGV-INIZCTEOSA-N 1 0 264.413 3.267 10 0 CGAERO CC(C)[NH2+]C[C@H](C)N1CCc2sccc2[C@@H]1C ZINC000052505248 519724916 /nfs/dbraw/zinc/72/49/16/519724916.db2.gz QEMKPJXAIWTADA-RYUDHWBXSA-N 1 0 252.427 3.054 10 0 CGAERO CC(C)[NH2+]Cc1cnc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000051399897 519728416 /nfs/dbraw/zinc/72/84/16/519728416.db2.gz ZWRNXGYRWOXJKC-LBPRGKRZSA-N 1 0 281.831 3.469 10 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CGAERO CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1cc(F)ccc1C ZINC000054626860 519911233 /nfs/dbraw/zinc/91/12/33/519911233.db2.gz RLTAEEPCIRZKRR-GOOCMWNKSA-N 1 0 262.372 3.243 10 0 CGAERO CC[NH2+]CC1(OCCOC(C)C)CCC(CC)CC1 ZINC000050495382 519914061 /nfs/dbraw/zinc/91/40/61/519914061.db2.gz DQMDJEABGMOYNM-UHFFFAOYSA-N 1 0 271.445 3.377 10 0 CGAERO CCCCC1CCC(C[NH3+])(CCCS(C)(=O)=O)CC1 ZINC000063018339 519919250 /nfs/dbraw/zinc/91/92/50/519919250.db2.gz BPIMFFOPJGNYCU-UHFFFAOYSA-N 1 0 289.485 3.137 10 0 CGAERO CCC[NH2+]C[C@H]1CCN(c2ccccc2Cl)C1 ZINC000053012662 519937076 /nfs/dbraw/zinc/93/70/76/519937076.db2.gz QCRAZGRLLUQUNF-GFCCVEGCSA-N 1 0 252.789 3.166 10 0 CGAERO CC[NH2+]C[C@@H](c1ccccc1)N(CC)CC(F)(F)F ZINC000052503199 519948988 /nfs/dbraw/zinc/94/89/88/519948988.db2.gz WJLUQWOJXRSTLN-ZDUSSCGKSA-N 1 0 274.330 3.221 10 0 CGAERO CC[NH2+]C[C@@]1(Cc2cnc(C)s2)C[C@H]2CC[C@@H]1C2 ZINC000062337649 519957556 /nfs/dbraw/zinc/95/75/56/519957556.db2.gz VOTOCQDDIXOMQL-GUTXKFCHSA-N 1 0 264.438 3.410 10 0 CGAERO CCC[NH2+]Cc1cnc(N2C[C@H](C)C[C@H](C)C2)s1 ZINC000054899703 519966236 /nfs/dbraw/zinc/96/62/36/519966236.db2.gz XPYNLODLNAWKEG-TXEJJXNPSA-N 1 0 267.442 3.125 10 0 CGAERO CCC[NH2+]Cc1nccn1Cc1c(F)cccc1Cl ZINC000051005071 519968124 /nfs/dbraw/zinc/96/81/24/519968124.db2.gz IQTJWZSVLPVXIH-UHFFFAOYSA-N 1 0 281.762 3.224 10 0 CGAERO CCC[NH2+][C@@H](Cc1cccnc1)c1ccc(C)nc1 ZINC000062950341 520012840 /nfs/dbraw/zinc/01/28/40/520012840.db2.gz XSLCBXVVZDDIER-INIZCTEOSA-N 1 0 255.365 3.068 10 0 CGAERO CCC[NH2+][C@@H](CSC)c1ccc(OC)c(F)c1 ZINC000055264848 520014331 /nfs/dbraw/zinc/01/43/31/520014331.db2.gz CIRBFVYTRGTVJR-LBPRGKRZSA-N 1 0 257.374 3.238 10 0 CGAERO CCC[NH2+][C@H](CSC)c1ccccc1OCC ZINC000055240961 520085113 /nfs/dbraw/zinc/08/51/13/520085113.db2.gz SLBDCKHPERINKX-CYBMUJFWSA-N 1 0 253.411 3.489 10 0 CGAERO CC[NH2+][C@@H]1CCN([C@@H](C)c2cc(C)sc2C)C1 ZINC000049508937 520118257 /nfs/dbraw/zinc/11/82/57/520118257.db2.gz CCLIGQGEJCPULW-WCQYABFASA-N 1 0 252.427 3.110 10 0 CGAERO CCCCCC[C@@H](C[NH2+]C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000052951176 520123188 /nfs/dbraw/zinc/12/31/88/520123188.db2.gz GNRYMDUMOCJCJS-LSDHHAIUSA-N 1 0 289.485 3.006 10 0 CGAERO CCN(CC(F)(F)F)[C@H](C[NH2+]CC(C)C)C(C)C ZINC000052502966 520423755 /nfs/dbraw/zinc/42/37/55/520423755.db2.gz JJJPEHJOCNHEJE-GFCCVEGCSA-N 1 0 268.367 3.141 10 0 CGAERO CCO[C@H]1C[C@H]([NH2+]Cc2cccc(C)c2)C12CCOCC2 ZINC000186221904 520575427 /nfs/dbraw/zinc/57/54/27/520575427.db2.gz TYYPLKWEFHHISG-IRXDYDNUSA-N 1 0 289.419 3.059 10 0 CGAERO CCCC[N@@H+]1C[C@H](C(C)C)NC[C@@H]1c1ccccc1 ZINC000062657491 520598934 /nfs/dbraw/zinc/59/89/34/520598934.db2.gz RMXRVPPNVGGMFR-IAGOWNOFSA-N 1 0 260.425 3.458 10 0 CGAERO CCCCOCC[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000049261797 520781284 /nfs/dbraw/zinc/78/12/84/520781284.db2.gz HVFKRRQDJYMPOR-UHFFFAOYSA-N 1 0 251.414 3.362 10 0 CGAERO CCC(CC)(C[NH2+]C)Cc1ncc(C)c(OC)c1C ZINC000054658405 521440585 /nfs/dbraw/zinc/44/05/85/521440585.db2.gz BVTXUTAZVDTGTE-UHFFFAOYSA-N 1 0 264.413 3.275 10 0 CGAERO CCCc1nc(N(CC)CC)sc1C[NH2+]C(C)C ZINC000054995211 521531298 /nfs/dbraw/zinc/53/12/98/521531298.db2.gz RQXLMEJYSWGKLT-UHFFFAOYSA-N 1 0 269.458 3.440 10 0 CGAERO CCOc1ccccc1O[C@@H](C)C[NH2+]CC(C)C ZINC000052653968 521569157 /nfs/dbraw/zinc/56/91/57/521569157.db2.gz IFBAMPVKIHCADS-ZDUSSCGKSA-N 1 0 251.370 3.098 10 0 CGAERO CCC[N@H+](CC)CC[C@@H](O)c1ccc(Cl)cc1 ZINC000053986529 521611173 /nfs/dbraw/zinc/61/11/73/521611173.db2.gz QAURLJUZVPHNHW-CQSZACIVSA-N 1 0 255.789 3.495 10 0 CGAERO CCCN(CC1CC1)c1nc2c(s1)[C@H]([NH3+])CCC2 ZINC000054897052 521627005 /nfs/dbraw/zinc/62/70/05/521627005.db2.gz JFEAWPKDYWVCJS-LLVKDONJSA-N 1 0 265.426 3.106 10 0 CGAERO C[NH2+]CC1(CCCOCC(F)(F)F)CCCC1 ZINC000054655414 521965435 /nfs/dbraw/zinc/96/54/35/521965435.db2.gz OVPGRYUIFDDQOJ-UHFFFAOYSA-N 1 0 253.308 3.125 10 0 CGAERO C[NH2+]C[C@@H](Cc1ccccc1)Cc1cccc(F)c1 ZINC000052952409 522034199 /nfs/dbraw/zinc/03/41/99/522034199.db2.gz NLVMOVKJUKTXRF-INIZCTEOSA-N 1 0 257.352 3.447 10 0 CGAERO C[NH2+]C[C@@H](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000052952417 522034228 /nfs/dbraw/zinc/03/42/28/522034228.db2.gz KZYPVXAKEYKGEX-INIZCTEOSA-N 1 0 257.352 3.447 10 0 CGAERO C[NH2+]C[C@H](CCCOCC(F)(F)F)CC(C)C ZINC000052967828 522074736 /nfs/dbraw/zinc/07/47/36/522074736.db2.gz MOKQUIYHWIGXFW-LLVKDONJSA-N 1 0 255.324 3.227 10 0 CGAERO C[NH2+]C[C@H](CCOC(C)C)Cc1ccccc1F ZINC000052979160 522074891 /nfs/dbraw/zinc/07/48/91/522074891.db2.gz GMWFFCOQFKTTMU-CYBMUJFWSA-N 1 0 253.361 3.019 10 0 CGAERO C[NH2+]Cc1c(C)nc(-c2cccc(Cl)c2)nc1C ZINC000054854050 522101414 /nfs/dbraw/zinc/10/14/14/522101414.db2.gz ZNUMEZOXXLELNG-UHFFFAOYSA-N 1 0 261.756 3.133 10 0 CGAERO C[NH2+]Cc1ccoc1COc1ccc(Br)cc1 ZINC000052664150 522142982 /nfs/dbraw/zinc/14/29/82/522142982.db2.gz JTBFTMBFWANOQF-UHFFFAOYSA-N 1 0 296.164 3.341 10 0 CGAERO CC[C@H]([NH3+])[C@@H](Sc1nnc(C)o1)c1ccccc1F ZINC000051037928 522338564 /nfs/dbraw/zinc/33/85/64/522338564.db2.gz IWTJQCGDMHUOPC-RYUDHWBXSA-N 1 0 281.356 3.088 10 0 CGAERO 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COCc1cccc(C[NH2+][C@H]2COc3ccccc32)c1 ZINC000088553741 523059054 /nfs/dbraw/zinc/05/90/54/523059054.db2.gz BXUUUEDQFUQCPJ-INIZCTEOSA-N 1 0 269.344 3.056 10 0 CGAERO CC[C@H]1CCCN(c2ccc(Cl)cc2C(N)=[NH2+])C1 ZINC000052860061 523093578 /nfs/dbraw/zinc/09/35/78/523093578.db2.gz ZHXMRKMGVUKLRF-JTQLQIEISA-N 1 0 265.788 3.250 10 0 CGAERO CN(C[C@](C)([NH3+])c1ccccc1)c1ccc(F)cc1 ZINC000052883653 523152129 /nfs/dbraw/zinc/15/21/29/523152129.db2.gz QJHGBTFYLLTXFY-INIZCTEOSA-N 1 0 258.340 3.136 10 0 CGAERO CC[C@@H]1CCCN(c2cccc(Cl)c2C(N)=[NH2+])C1 ZINC000052905089 523256140 /nfs/dbraw/zinc/25/61/40/523256140.db2.gz BSZPKFCAZWACRM-SNVBAGLBSA-N 1 0 265.788 3.250 10 0 CGAERO COc1ccc(Br)cc1CC[NH2+]C(C)(C)C ZINC000053302700 523494690 /nfs/dbraw/zinc/49/46/90/523494690.db2.gz WBWGWZGIDWMAJB-UHFFFAOYSA-N 1 0 286.213 3.388 10 0 CGAERO CN(C(=O)C[C@H]1CCC[C@H]([NH3+])C1)C1CCCCCC1 ZINC000055130154 523846023 /nfs/dbraw/zinc/84/60/23/523846023.db2.gz KGUZHVSSZLFMTC-KBPBESRZSA-N 1 0 266.429 3.075 10 0 CGAERO COCC[NH2+]C[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000054598436 523941803 /nfs/dbraw/zinc/94/18/03/523941803.db2.gz ACTNQUCCGVJFBE-GOEBONIOSA-N 1 0 261.409 3.324 10 0 CGAERO COCC[NH2+]C[C@H](C)Cc1ccc(Cl)c(Cl)c1 ZINC000054659879 523942669 /nfs/dbraw/zinc/94/26/69/523942669.db2.gz AYXUWPSYAMKIRZ-SNVBAGLBSA-N 1 0 276.207 3.408 10 0 CGAERO COc1ccc(Cl)cc1C[C@@H](C)C[NH2+]C1CC1 ZINC000052966609 524212787 /nfs/dbraw/zinc/21/27/87/524212787.db2.gz PVRHWVXTRNQDRK-SNVBAGLBSA-N 1 0 253.773 3.279 10 0 CGAERO C[C@H]1CCc2nc([C@@H]([NH3+])c3ccccc3)sc2C1 ZINC000058376862 524442333 /nfs/dbraw/zinc/44/23/33/524442333.db2.gz XLYYMJSJIDDHHC-HZMBPMFUSA-N 1 0 258.390 3.316 10 0 CGAERO COc1ccc(N[C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000061566343 524712007 /nfs/dbraw/zinc/71/20/07/524712007.db2.gz GHSJMMBDHRVXCY-XEZPLFJOSA-N 1 0 262.397 3.144 10 0 CGAERO Cc1ccc(F)cc1[C@H]([NH3+])c1ccc2c(c1)CCO2 ZINC000062665024 524873468 /nfs/dbraw/zinc/87/34/68/524873468.db2.gz MUCUKUOBGNVFLC-MRXNPFEDSA-N 1 0 257.308 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FJNWGCYTPMYLLS-LLVKDONJSA-N 1 0 251.757 3.139 10 0 CGAERO CC[C@H]([NH2+][C@H]1CCCc2ccc(OC)cc21)C(C)(C)O ZINC000294967470 199273910 /nfs/dbraw/zinc/27/39/10/199273910.db2.gz JRAINYAZXJGLBP-HOTGVXAUSA-N 1 0 277.408 3.212 10 0 CGAERO C[C@@H]([C@H](O)c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000096912865 185129566 /nfs/dbraw/zinc/12/95/66/185129566.db2.gz ZLMIMTKNJFOROV-YGRLFVJLSA-N 1 0 253.773 3.009 10 0 CGAERO Cc1ccc(Br)cc1C1CC[NH2+]CC1 ZINC000096958859 185142605 /nfs/dbraw/zinc/14/26/05/185142605.db2.gz ATFZUOTXLXBVHJ-UHFFFAOYSA-N 1 0 254.171 3.225 10 0 CGAERO Cc1ccc(C2CC[NH2+]CC2)cc1Br ZINC000096958847 185142832 /nfs/dbraw/zinc/14/28/32/185142832.db2.gz HRJLPLSBBQXLEK-UHFFFAOYSA-N 1 0 254.171 3.225 10 0 CGAERO CC[C@@H]1CN(Cc2cc(F)ccc2Cl)[C@H](C)C[NH2+]1 ZINC000083518038 178551943 /nfs/dbraw/zinc/55/19/43/178551943.db2.gz WSZPHRIHLFKDKQ-ZWNOBZJWSA-N 1 0 270.779 3.051 10 0 CGAERO Cc1ccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)cc1C ZINC000188399432 542247720 /nfs/dbraw/zinc/24/77/20/542247720.db2.gz ZJJXLLUWESFCJZ-QGZVFWFLSA-N 1 0 269.392 3.165 10 0 CGAERO CC(C)[C@@](CC[NH+](C)C)(C(N)=O)c1ccc2ccccc2c1 ZINC000003642932 344859541 /nfs/dbraw/zinc/85/95/41/344859541.db2.gz ZLNAZRUEULSTFP-LJQANCHMSA-N 1 0 298.430 3.171 10 0 CGAERO CC(C)OP(=O)(OC(C)C)[C@@]1(C)CCC[N+]1=O ZINC000033800969 344936742 /nfs/dbraw/zinc/93/67/42/344936742.db2.gz JQERKXDWSAKBRU-NSHDSACASA-N 1 0 263.274 3.121 10 0 CGAERO COCCCOc1ccc(-c2ccc(C[NH3+])cc2)cc1 ZINC000037753356 344952439 /nfs/dbraw/zinc/95/24/39/344952439.db2.gz MDQFSKXOVSIUIV-UHFFFAOYSA-N 1 0 271.360 3.228 10 0 CGAERO COc1cccc2c1CC[C@H]1[NH2+]Cc3ccccc3[C@@H]21 ZINC000038815640 344956365 /nfs/dbraw/zinc/95/63/65/344956365.db2.gz GYRCTNAHLKVACN-AEFFLSMTSA-N 1 0 265.356 3.245 10 0 CGAERO C[NH2+][C@H](c1ccoc1)c1ccc(Br)s1 ZINC000040236428 344961790 /nfs/dbraw/zinc/96/17/90/344961790.db2.gz NBALHDCPKGXYSA-SNVBAGLBSA-N 1 0 272.167 3.412 10 0 CGAERO CC[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000036840764 344945041 /nfs/dbraw/zinc/94/50/41/344945041.db2.gz SPTORZWIWDKMNZ-UHFFFAOYSA-N 1 0 254.171 3.305 10 0 CGAERO CCC[C@H]([NH3+])C(=O)Nc1ccc2oc(C(C)C)nc2c1 ZINC000037041369 344946698 /nfs/dbraw/zinc/94/66/98/344946698.db2.gz UONGBNRRRPDZSH-NSHDSACASA-N 1 0 275.352 3.017 10 0 CGAERO CS[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043025153 344993438 /nfs/dbraw/zinc/99/34/38/344993438.db2.gz VQHNAGAPZVBXLJ-GMSGAONNSA-N 1 0 260.200 3.200 10 0 CGAERO Brc1ccccc1S[C@H]1CCC[NH2+]C1 ZINC000043501676 344999128 /nfs/dbraw/zinc/99/91/28/344999128.db2.gz VTVZXPJTABMAOU-VIFPVBQESA-N 1 0 272.211 3.293 10 0 CGAERO CC[C@](C)([NH3+])Cc1cc(F)ccc1Br ZINC000053758147 345125008 /nfs/dbraw/zinc/12/50/08/345125008.db2.gz GZCNONWKDXENRQ-NSHDSACASA-N 1 0 260.150 3.258 10 0 CGAERO CC(C)OCC[N@@H+]1C[C@H](c2ccccc2)OCC1(C)C ZINC000066897163 345309939 /nfs/dbraw/zinc/30/99/39/345309939.db2.gz CZYREKBBOGHWNJ-MRXNPFEDSA-N 1 0 277.408 3.264 10 0 CGAERO Fc1cccnc1N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000091482233 345816725 /nfs/dbraw/zinc/81/67/25/345816725.db2.gz UMCHHCGKFWQFOM-CQSZACIVSA-N 1 0 277.387 3.066 10 0 CGAERO CCc1nn(C)cc1CNc1cc[nH+]c2c(C)cccc12 ZINC000092959405 345864336 /nfs/dbraw/zinc/86/43/36/345864336.db2.gz BMUVLRUUGAOZLG-UHFFFAOYSA-N 1 0 280.375 3.451 10 0 CGAERO C[C@@H](c1ccco1)[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000095089007 345900311 /nfs/dbraw/zinc/90/03/11/345900311.db2.gz JZTJZHLZTPZMGE-QWHCGFSZSA-N 1 0 294.395 3.187 10 0 CGAERO Cc1ccc([C@@H]2CCCC[N@H+]2CCC(=O)OC(C)C)o1 ZINC000173796345 232288188 /nfs/dbraw/zinc/28/81/88/232288188.db2.gz YTSMOGIHFQMICR-AWEZNQCLSA-N 1 0 279.380 3.457 10 0 CGAERO O=C(CC1CCCCCC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000175893397 232326900 /nfs/dbraw/zinc/32/69/00/232326900.db2.gz XNXNONQUYIAZHE-INIZCTEOSA-N 1 0 278.440 3.044 10 0 CGAERO c1ccc2c(c1)CC[NH2+][C@H]2c1cccc2cccnc21 ZINC000130142156 346054719 /nfs/dbraw/zinc/05/47/19/346054719.db2.gz FLCUGGGSOIXEKZ-GOSISDBHSA-N 1 0 260.340 3.470 10 0 CGAERO CCC[C@H](CC1([NH3+])CCCC1)C(=O)OC(C)(C)C ZINC000136502496 346091588 /nfs/dbraw/zinc/09/15/88/346091588.db2.gz XAZKVKMMCPFHOI-GFCCVEGCSA-N 1 0 255.402 3.406 10 0 CGAERO COc1cc2c(cc1OC)C[C@H]([NH2+]Cc1ccccc1)CC2 ZINC000139052404 346098321 /nfs/dbraw/zinc/09/83/21/346098321.db2.gz TUZOWFPSCLQYFM-QGZVFWFLSA-N 1 0 297.398 3.351 10 0 CGAERO OC[C@H]1C[C@@H](Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000147300641 346125432 /nfs/dbraw/zinc/12/54/32/346125432.db2.gz ICZGVQUCRCVQAX-RTBURBONSA-N 1 0 281.399 3.112 10 0 CGAERO c1ccc(CO[C@H]2C[NH2+]C[C@@H](COc3ccccc3)C2)cc1 ZINC000147199600 346125616 /nfs/dbraw/zinc/12/56/16/346125616.db2.gz QXUWIMWPSXTCPL-PKOBYXMFSA-N 1 0 297.398 3.260 10 0 CGAERO C[C@@]1(c2cscc2Br)CC[C@H]([NH3+])C1 ZINC000166992046 346187442 /nfs/dbraw/zinc/18/74/42/346187442.db2.gz AYBYCKNBEWDQCH-OIBJUYFYSA-N 1 0 260.200 3.280 10 0 CGAERO C[C@@H]([NH3+])COc1cc(Cl)c(Cl)cc1Cl ZINC000222892845 346299900 /nfs/dbraw/zinc/29/99/00/346299900.db2.gz DLIRTZKDGGTINK-RXMQYKEDSA-N 1 0 254.544 3.373 10 0 CGAERO C[NH2+][C@@H]1C[C@@H](c2sccc2Br)[C@@H]1C ZINC000225113438 346303063 /nfs/dbraw/zinc/30/30/63/346303063.db2.gz SLAIBZVBCVWBKS-LKEWCRSYSA-N 1 0 260.200 3.222 10 0 CGAERO Cc1cccc(C)c1[C@H]1CNC(=[NH2+])N1Cc1ccccc1 ZINC000215604717 346288837 /nfs/dbraw/zinc/28/88/37/346288837.db2.gz CSCCYZZOZCIULT-MRXNPFEDSA-N 1 0 279.387 3.175 10 0 CGAERO C[NH2+]Cc1ccc([C@@H](O)c2ccc(Cl)cc2)cc1 ZINC000216616874 346290397 /nfs/dbraw/zinc/29/03/97/346290397.db2.gz QYXXQRIIIBCQDD-OAHLLOKOSA-N 1 0 261.752 3.141 10 0 CGAERO CC[NH2+][C@@H]1CCc2c1cc(F)cc2Br ZINC000233572625 346329830 /nfs/dbraw/zinc/32/98/30/346329830.db2.gz ILUCJSYQPZVTEO-LLVKDONJSA-N 1 0 258.134 3.185 10 0 CGAERO C[C@H](Cc1ccsc1)[N@@H+]1C[C@@H]2CCCCN2C[C@@H]1C ZINC000227357808 346308593 /nfs/dbraw/zinc/30/85/93/346308593.db2.gz MJDFHYCXWQPIAW-YCPHGPKFSA-N 1 0 278.465 3.238 10 0 CGAERO CC[C@H]1C[NH2+]CC[C@H]1c1occc1Br ZINC000229826009 346318282 /nfs/dbraw/zinc/31/82/82/346318282.db2.gz ZHLSQHIUHCPEFJ-DTWKUNHWSA-N 1 0 258.159 3.145 10 0 CGAERO CC[C@@H]1[C@@H]([NH3+])C[C@@H]1c1cc(Br)cs1 ZINC000229870838 346319091 /nfs/dbraw/zinc/31/90/91/346319091.db2.gz FPZRTDAEBHHPQD-CIUDSAMLSA-N 1 0 260.200 3.351 10 0 CGAERO C[C@H]([NH3+])C1(Cc2ccccc2Br)CC1 ZINC000235469746 346336299 /nfs/dbraw/zinc/33/62/99/346336299.db2.gz ULYAGSUNOMCGPP-VIFPVBQESA-N 1 0 254.171 3.119 10 0 CGAERO [NH3+]C[C@H]1C[C@@H]1c1ccc(Br)c(Cl)c1 ZINC000236210475 346340085 /nfs/dbraw/zinc/34/00/85/346340085.db2.gz ARTQIIBNHPTFNX-HTQZYQBOSA-N 1 0 260.562 3.165 10 0 CGAERO CN1CC[N@@H+]2CCc3ccccc3[C@H]2c2ccccc21 ZINC000263589430 346404661 /nfs/dbraw/zinc/40/46/61/346404661.db2.gz KBFMNITYIDHUPK-SFHVURJKSA-N 1 0 264.372 3.084 10 0 CGAERO CCCCC(=O)n1cc(CCC[NH3+])c2ccccc21 ZINC000098130437 185691064 /nfs/dbraw/zinc/69/10/64/185691064.db2.gz WAOZSUSEIQNSHJ-UHFFFAOYSA-N 1 0 258.365 3.363 10 0 CGAERO C[C@]1(Cc2cscc2Br)CCC[NH2+]1 ZINC000306309218 346453386 /nfs/dbraw/zinc/45/33/86/346453386.db2.gz ICGBZVSTMFSTRH-SNVBAGLBSA-N 1 0 260.200 3.195 10 0 CGAERO O=C1CCCc2c1ccn2[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000306650516 346456328 /nfs/dbraw/zinc/45/63/28/346456328.db2.gz FOVKQFQUOJBLBK-INIZCTEOSA-N 1 0 294.398 3.454 10 0 CGAERO C[C@@H]1C[NH+]=C(SCc2csc(Br)c2)N1 ZINC000306679014 346456751 /nfs/dbraw/zinc/45/67/51/346456751.db2.gz AUPKHGJEDKCRNL-ZCFIWIBFSA-N 1 0 291.239 3.092 10 0 CGAERO Brc1csc([C@H]2[NH2+]CC23CCC3)c1 ZINC000307124400 346460093 /nfs/dbraw/zinc/46/00/93/346460093.db2.gz RFOOFIPEKQMUOA-SECBINFHSA-N 1 0 258.184 3.325 10 0 CGAERO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]Cc2ccns2)C1 ZINC000404418049 346599908 /nfs/dbraw/zinc/59/99/08/346599908.db2.gz PTSAYSOALBAZPZ-RKDXNWHRSA-N 1 0 264.316 3.354 10 0 CGAERO C[C@@H](C[NH2+]C(C)(C)C)N1C[C@@H](C)Cc2ccccc21 ZINC000104004574 136553684 /nfs/dbraw/zinc/55/36/84/136553684.db2.gz XOPOETWSTIOTAG-KBPBESRZSA-N 1 0 260.425 3.462 10 0 CGAERO C[C@H](CCCC[NH+]1CCN(C)CC1)c1ccccc1 ZINC000584643246 346703223 /nfs/dbraw/zinc/70/32/23/346703223.db2.gz PJOAKMLDFQZFML-MRXNPFEDSA-N 1 0 260.425 3.208 10 0 CGAERO S=C(NCCC[NH2+]C1CCCCC1)Nc1ccccc1 ZINC000584650526 346704483 /nfs/dbraw/zinc/70/44/83/346704483.db2.gz PXPKIFMSHYPHMC-UHFFFAOYSA-N 1 0 291.464 3.285 10 0 CGAERO CCC1([NH+]2CCNCC2)CC(C)(C)CC(C)(C)C1 ZINC000584882372 346720794 /nfs/dbraw/zinc/72/07/94/346720794.db2.gz FANSVDPVHIALCO-UHFFFAOYSA-N 1 0 252.446 3.277 10 0 CGAERO CC[C@@H]([NH3+])[C@@H](C)c1ccc(Cl)c(OCCOC)c1 ZINC000584594982 346687003 /nfs/dbraw/zinc/68/70/03/346687003.db2.gz KDABRRPIZCOERO-GXFFZTMASA-N 1 0 271.788 3.206 10 0 CGAERO COCCCOc1cc(C[C@@H]([NH3+])C(C)C)ccc1Cl ZINC000584595054 346687005 /nfs/dbraw/zinc/68/70/05/346687005.db2.gz WNFDLQYTLYBLOI-CQSZACIVSA-N 1 0 285.815 3.281 10 0 CGAERO C[NH2+]Cc1ccccc1[C@H](O)c1cccc(Cl)c1 ZINC000584597035 346687836 /nfs/dbraw/zinc/68/78/36/346687836.db2.gz WLPYKFQDNUBVCK-OAHLLOKOSA-N 1 0 261.752 3.141 10 0 CGAERO C[NH+](C)CC[C@H]1c2ccccc2Oc2cccnc21 ZINC000584615818 346693738 /nfs/dbraw/zinc/69/37/38/346693738.db2.gz WVTIJLDTPSKZGW-ZDUSSCGKSA-N 1 0 254.333 3.271 10 0 CGAERO O[C@@H](c1ccc(F)cc1)[C@H]1CC[N@@H+]2CCCC[C@H]2C1 ZINC000584625289 346697099 /nfs/dbraw/zinc/69/70/99/346697099.db2.gz JVBGIQKPXVCVSA-BPUTZDHNSA-N 1 0 263.356 3.124 10 0 CGAERO Clc1cc(Br)ccc1[C@@H]1CC[NH2+]C1 ZINC000084623566 282497833 /nfs/dbraw/zinc/49/78/33/282497833.db2.gz PGAHMXKUDVOQDA-SSDOTTSWSA-N 1 0 260.562 3.179 10 0 CGAERO CC[C@@H]([NH3+])c1nc2ccc(Br)cc2s1 ZINC000086479142 179300260 /nfs/dbraw/zinc/30/02/60/179300260.db2.gz SVMSFWNYCDDHQU-SSDOTTSWSA-N 1 0 271.183 3.469 10 0 CGAERO [NH3+][C@H]1CCC[C@H]1c1nc2cc(Br)ccc2o1 ZINC000087049625 179388996 /nfs/dbraw/zinc/38/89/96/179388996.db2.gz MDKJEZJDUQCALN-BDAKNGLRSA-N 1 0 281.153 3.185 10 0 CGAERO CCC[NH2+][C@H](CC)[C@@H](C)c1nc(CC(F)(F)F)no1 ZINC000104168159 185915477 /nfs/dbraw/zinc/91/54/77/185915477.db2.gz ZGGGDCTXYVTALH-RKDXNWHRSA-N 1 0 279.306 3.056 10 0 CGAERO CC(C)Oc1ccc(-c2cncc([C@@H]3CCC[NH2+]3)n2)cc1 ZINC000616576528 348834169 /nfs/dbraw/zinc/83/41/69/348834169.db2.gz VPHBYJNYWHQYQI-HNNXBMFYSA-N 1 0 283.375 3.355 10 0 CGAERO CC[N@@H+]1CCc2ccccc2[C@@H]1c1cccc(CCO)c1 ZINC000616586191 348836694 /nfs/dbraw/zinc/83/66/94/348836694.db2.gz FQCDLYGRQSZAEM-IBGZPJMESA-N 1 0 281.399 3.189 10 0 CGAERO CC(C)[N@@H+]1CCCOC[C@H]1c1cccc2ccncc21 ZINC000616598405 348839959 /nfs/dbraw/zinc/83/99/59/348839959.db2.gz YREJBDTZCVAQJJ-KRWDZBQOSA-N 1 0 270.376 3.407 10 0 CGAERO CC(=O)Nc1cccc([C@H]2COCCC[N@@H+]2C(C)(C)C)c1 ZINC000616598489 348840180 /nfs/dbraw/zinc/84/01/80/348840180.db2.gz BYJUVBMHEGHRIJ-MRXNPFEDSA-N 1 0 290.407 3.207 10 0 CGAERO CC(=O)Nc1ccccc1[C@@H]1CCOCC[N@@H+]1C(C)(C)C ZINC000616598789 348840409 /nfs/dbraw/zinc/84/04/09/348840409.db2.gz RECFPEJHBKVQHN-INIZCTEOSA-N 1 0 290.407 3.207 10 0 CGAERO CC(C)(C)[N@@H+]1CCOC[C@@H](c2ccnc3ccccc32)C1 ZINC000616596821 348840568 /nfs/dbraw/zinc/84/05/68/348840568.db2.gz CGRDHQHWCGPGOV-AWEZNQCLSA-N 1 0 284.403 3.449 10 0 CGAERO CC[N@@H+]1CCOCC[C@@H]1c1cccc2ncccc21 ZINC000616599840 348841263 /nfs/dbraw/zinc/84/12/63/348841263.db2.gz XVZZDDSMVYDHCW-MRXNPFEDSA-N 1 0 256.349 3.018 10 0 CGAERO CCOC(=O)c1cccc([C@@H]2CCCC[N@H+](CC)C2)c1 ZINC000616604909 348843400 /nfs/dbraw/zinc/84/34/00/348843400.db2.gz GLLGDXBPYNBASS-MRXNPFEDSA-N 1 0 275.392 3.453 10 0 CGAERO c1cc([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)no1 ZINC000616610524 348844616 /nfs/dbraw/zinc/84/46/16/348844616.db2.gz LLHQNBANKHFKPA-OAHLLOKOSA-N 1 0 256.349 3.444 10 0 CGAERO CC(C)[NH+]1CCC(c2cc3ccccc3nn2)CC1 ZINC000616618960 348848343 /nfs/dbraw/zinc/84/83/43/348848343.db2.gz ABHHJUKLGQZPDF-UHFFFAOYSA-N 1 0 255.365 3.218 10 0 CGAERO c1ccc(C[N@@H+]2CCC[C@@H](c3ncccn3)CC2)cc1 ZINC000616611362 348845807 /nfs/dbraw/zinc/84/58/07/348845807.db2.gz PFHBHMOCUGGZOD-MRXNPFEDSA-N 1 0 267.376 3.246 10 0 CGAERO [NH3+]CCN1CCCCC[C@@H]1c1ccc2cnccc2c1 ZINC000616624405 348850121 /nfs/dbraw/zinc/85/01/21/348850121.db2.gz MWAJNWIFFLDPST-QGZVFWFLSA-N 1 0 269.392 3.111 10 0 CGAERO c1cc([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)on1 ZINC000616630777 348852708 /nfs/dbraw/zinc/85/27/08/348852708.db2.gz XQFIBYXOTZUMFX-HNNXBMFYSA-N 1 0 256.349 3.444 10 0 CGAERO CC(C)(C)[N@@H+]1CCO[C@H](c2ccc3cccnc3c2)C1 ZINC000616645618 348854709 /nfs/dbraw/zinc/85/47/09/348854709.db2.gz FTGNMGKRIIBDEW-INIZCTEOSA-N 1 0 270.376 3.407 10 0 CGAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2cccc3ncccc32)C1 ZINC000616644521 348854736 /nfs/dbraw/zinc/85/47/36/348854736.db2.gz DSJQQDRYXCTKOU-MRXNPFEDSA-N 1 0 270.376 3.407 10 0 CGAERO CC(C)(C)[N@@H+]1CCCO[C@H](c2ccc3ccnnc3c2)C1 ZINC000616650083 348855626 /nfs/dbraw/zinc/85/56/26/348855626.db2.gz SMPLTYRZHVPBPQ-INIZCTEOSA-N 1 0 285.391 3.192 10 0 CGAERO CNc1ccccc1[C@@H]1C[N@@H+](C(C)(C)C)CCCO1 ZINC000616649903 348855839 /nfs/dbraw/zinc/85/58/39/348855839.db2.gz OTUSEIXUUGGFRZ-HNNXBMFYSA-N 1 0 262.397 3.290 10 0 CGAERO CC[N@@H+]1CCCO[C@@H](c2ccc3ncccc3c2)C1 ZINC000616653344 348857111 /nfs/dbraw/zinc/85/71/11/348857111.db2.gz MJKRSISVJLYCLA-MRXNPFEDSA-N 1 0 256.349 3.018 10 0 CGAERO CC(C)(C)[N@@H+]1CCOCC[C@@H]1c1cccc2nnccc21 ZINC000616655950 348857487 /nfs/dbraw/zinc/85/74/87/348857487.db2.gz NXGSQEZHYAEHBW-MRXNPFEDSA-N 1 0 285.391 3.192 10 0 CGAERO c1ccc(C[N@@H+]2CCCC[C@@H](c3cncnc3)C2)cc1 ZINC000616655479 348858057 /nfs/dbraw/zinc/85/80/57/348858057.db2.gz WZUYUZANUIEQEZ-MRXNPFEDSA-N 1 0 267.376 3.246 10 0 CGAERO CC(C)[N@@H+]1CCOC[C@H](c2cncc3ccccc32)C1 ZINC000616659357 348858474 /nfs/dbraw/zinc/85/84/74/348858474.db2.gz IRWZLPKUCFLFLD-OAHLLOKOSA-N 1 0 270.376 3.059 10 0 CGAERO CC(C)(C)[N@@H+]1CCO[C@H](c2cnnc3ccccc32)CC1 ZINC000616665769 348859612 /nfs/dbraw/zinc/85/96/12/348859612.db2.gz WREXEVOYRZELQN-INIZCTEOSA-N 1 0 285.391 3.192 10 0 CGAERO Fc1ccc([C@H]2COCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000616664145 348859643 /nfs/dbraw/zinc/85/96/43/348859643.db2.gz VWKUWPUHWBVEHP-QGZVFWFLSA-N 1 0 285.362 3.442 10 0 CGAERO Nc1ccc([C@H]2CC[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000616663470 348859986 /nfs/dbraw/zinc/85/99/86/348859986.db2.gz QOLATWZUTBWRDY-GOSISDBHSA-N 1 0 282.387 3.232 10 0 CGAERO CC(C)[N@@H+]1CCc2ccccc2[C@H]1c1ccccn1 ZINC000616679514 348864997 /nfs/dbraw/zinc/86/49/97/348864997.db2.gz VHBXFBWMNGQZCG-KRWDZBQOSA-N 1 0 252.361 3.438 10 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YSGAGJJHEIESCM-RDJZCZTQSA-N 1 0 284.407 3.141 10 0 CGAERO Cc1cnn([C@H]2CCC[N@H+](CCOc3cccc(C)c3)C2)c1 ZINC000106224931 138354164 /nfs/dbraw/zinc/35/41/64/138354164.db2.gz YLQWUAQUCDOYMW-KRWDZBQOSA-N 1 0 299.418 3.216 10 0 CGAERO CCn1cnnc1C1CC[NH+](CCC2CCCC2)CC1 ZINC000119308404 138366633 /nfs/dbraw/zinc/36/66/33/138366633.db2.gz UVFIPWDZHRHTEH-UHFFFAOYSA-N 1 0 276.428 3.058 10 0 CGAERO Cc1cnc([C@@H](C)[NH2+]C[C@H]2Cc3ccccc3O2)s1 ZINC000124356901 138374585 /nfs/dbraw/zinc/37/45/85/138374585.db2.gz MFEPUSXLAUATIQ-DGCLKSJQSA-N 1 0 274.389 3.106 10 0 CGAERO Cc1cnn(CC[NH2+][C@@H]2CC[C@@H](C)c3ccccc32)c1 ZINC000123904290 138371344 /nfs/dbraw/zinc/37/13/44/138371344.db2.gz LVWXJFIJAYHPKQ-RHSMWYFYSA-N 1 0 269.392 3.420 10 0 CGAERO Cc1ccc(NC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)cc1 ZINC000130090243 138398932 /nfs/dbraw/zinc/39/89/32/138398932.db2.gz UKZQKRDPAGZKMU-CJNGLKHVSA-N 1 0 268.360 3.270 10 0 CGAERO C[C@@H]([NH2+]Cc1ccnc(N2CCCCCC2)c1)C1CC1 ZINC000177317449 138425967 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MBRSFYBUCZEGQN-BHDSKKPTSA-N 1 0 290.798 3.288 10 0 CGAERO COc1ccc(CC[NH2+]CCc2ccccc2)cc1 ZINC000010475205 368583867 /nfs/dbraw/zinc/58/38/67/368583867.db2.gz ADYHKGKKBYKQMM-UHFFFAOYSA-N 1 0 255.361 3.070 10 0 CGAERO C[NH+](C)CCc1c[nH]c2ccc(OC(=O)C(C)(C)C)cc12 ZINC000013745609 368665644 /nfs/dbraw/zinc/66/56/44/368665644.db2.gz AFACMZRKVDGTKP-UHFFFAOYSA-N 1 0 288.391 3.224 10 0 CGAERO OC[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000123294044 370911192 /nfs/dbraw/zinc/91/11/92/370911192.db2.gz IKVYFUHEUMKYLM-WTIISPKJSA-N 1 0 279.346 3.248 10 0 CGAERO C[NH+](C)C[C@H](c1ccc(Br)cc1)C1(O)CCC1 ZINC000026734313 368864068 /nfs/dbraw/zinc/86/40/68/368864068.db2.gz DSKVMMITWNJLQU-CYBMUJFWSA-N 1 0 298.224 3.009 10 0 CGAERO CN(C)C[C@H]1[NH2+]C[C@@H](c2ccccc2)c2ccccc21 ZINC000025964902 368853832 /nfs/dbraw/zinc/85/38/32/368853832.db2.gz KEUSBNOLUMCSQJ-ZWKOTPCHSA-N 1 0 266.388 3.024 10 0 CGAERO Cc1ccc([C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH3+])cc1 ZINC000032629332 368939896 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CCc1ccc([C@H](C)[NH2+][C@H]2CCCN(CC)C2)cc1 ZINC000040502410 369158207 /nfs/dbraw/zinc/15/82/07/369158207.db2.gz CVFMUASYPUGTEP-YOEHRIQHSA-N 1 0 260.425 3.384 10 0 CGAERO CC[C@H]([NH2+][C@H]1CCCN(CC)C1)c1ccc(OC)cc1 ZINC000040502309 369158322 /nfs/dbraw/zinc/15/83/22/369158322.db2.gz XCAVGJKKFOQTTL-RDJZCZTQSA-N 1 0 276.424 3.220 10 0 CGAERO CC(C)CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000042588091 369226565 /nfs/dbraw/zinc/22/65/65/369226565.db2.gz CDDUNJIQXSUYEP-ZJUUUORDSA-N 1 0 288.844 3.213 10 0 CGAERO CCN1CCC[C@H]([NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC000043389950 369251233 /nfs/dbraw/zinc/25/12/33/369251233.db2.gz BXDNISMGVBZPLY-LBPRGKRZSA-N 1 0 270.779 3.053 10 0 CGAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C3CC3)C2)CC(C)(C)C1 ZINC000044685013 369265177 /nfs/dbraw/zinc/26/51/77/369265177.db2.gz AHZOBBCCLAFFNT-MGPQQGTHSA-N 1 0 250.430 3.028 10 0 CGAERO OCCC[C@@H]1CCC[N@@H+]1Cc1ccc(F)c2cccnc12 ZINC000052763076 369472033 /nfs/dbraw/zinc/47/20/33/369472033.db2.gz GXZNSNFALUPGQP-AWEZNQCLSA-N 1 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VGGJTPNQQGOVSV-ZFWWWQNUSA-N 1 0 264.413 3.223 10 0 CGAERO Cc1ccccc1[C@@H](C)[NH2+]CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000124652579 392435333 /nfs/dbraw/zinc/43/53/33/392435333.db2.gz JGMSYIJONASEMS-IJEWVQPXSA-N 1 0 288.435 3.150 10 0 CGAERO CCc1ccc([C@@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)o1 ZINC000129449004 392451742 /nfs/dbraw/zinc/45/17/42/392451742.db2.gz DQGIPOKFTKIDLE-HNNXBMFYSA-N 1 0 292.423 3.236 10 0 CGAERO Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000131901525 392458507 /nfs/dbraw/zinc/45/85/07/392458507.db2.gz RFMQEWCNJKZADX-MRXNPFEDSA-N 1 0 273.355 3.205 10 0 CGAERO c1cc2c(c(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)c1)OCCC2 ZINC000371484716 392529365 /nfs/dbraw/zinc/52/93/65/392529365.db2.gz GOHMJZVVMLJOEN-GJZGRUSLSA-N 1 0 272.392 3.050 10 0 CGAERO CCC[C@H](C(=O)N1CC=C(c2ccccc2)CC1)[NH+](C)C ZINC000161919774 392588455 /nfs/dbraw/zinc/58/84/55/392588455.db2.gz LAOADTLVZMVAMG-QGZVFWFLSA-N 1 0 286.419 3.033 10 0 CGAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ncnc2c(C)cccc21 ZINC000177949367 392669168 /nfs/dbraw/zinc/66/91/68/392669168.db2.gz BGKOXDOOROFMDU-HUUCEWRRSA-N 1 0 296.418 3.001 10 0 CGAERO CC1(C)C[C@H]([NH2+][C@@H]2CCCC[C@@H]2O)c2ccccc21 ZINC000178161791 392673512 /nfs/dbraw/zinc/67/35/12/392673512.db2.gz DKRJBPRVHBVCGN-PMPSAXMXSA-N 1 0 259.393 3.302 10 0 CGAERO C[C@@H]1COCC[C@H]1[NH2+][C@H](C1CCC1)C1CCCC1 ZINC000647329977 392673904 /nfs/dbraw/zinc/67/39/04/392673904.db2.gz AEPMUGJCDCSWQJ-WQVCFCJDSA-N 1 0 251.414 3.360 10 0 CGAERO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000174085851 392635114 /nfs/dbraw/zinc/63/51/14/392635114.db2.gz FGYOKHIWKRWKIV-GDBMZVCRSA-N 1 0 298.434 3.376 10 0 CGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H]1CCC13CCCC3)CC2 ZINC000189162160 392804756 /nfs/dbraw/zinc/80/47/56/392804756.db2.gz YGVDUXREEWVMDF-KGLIPLIRSA-N 1 0 288.439 3.029 10 0 CGAERO CCC(CC)[NH2+][C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000194024289 392894794 /nfs/dbraw/zinc/89/47/94/392894794.db2.gz FRUJOYJVPKXHRD-QWHCGFSZSA-N 1 0 262.397 3.031 10 0 CGAERO O[C@]12CCCC[C@H]1C[N@H+](Cc1ccc(F)cc1F)CC2 ZINC000220398115 393005253 /nfs/dbraw/zinc/00/52/53/393005253.db2.gz GTQRIEFLQXYEOS-BBRMVZONSA-N 1 0 281.346 3.092 10 0 CGAERO Cc1cncc([C@H](C)[NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)c1 ZINC000248693822 393093035 /nfs/dbraw/zinc/09/30/35/393093035.db2.gz CEBQWPLNTPOGHH-IPELMVKDSA-N 1 0 295.430 3.486 10 0 CGAERO COCc1nc(C[NH2+]CC(C)(C)C2CCC2)cs1 ZINC000648733599 393228456 /nfs/dbraw/zinc/22/84/56/393228456.db2.gz YRHXUPBWJJNFHW-UHFFFAOYSA-N 1 0 268.426 3.205 10 0 CGAERO C[C@@H]1CC(C[NH2+]C2CCC(F)(F)CC2)C[C@@H](C)O1 ZINC000647208763 393388187 /nfs/dbraw/zinc/38/81/87/393388187.db2.gz CHYCSMYJQZFSMP-GHMZBOCLSA-N 1 0 261.356 3.358 10 0 CGAERO C[C@H](C[NH3+])c1ccc(N2CCCCC2)c(Cl)c1 ZINC000003602531 134644035 /nfs/dbraw/zinc/64/40/35/134644035.db2.gz CMFCRWXWHKGUDW-LLVKDONJSA-N 1 0 252.789 3.393 10 0 CGAERO CCc1ncc(C[NH2+][C@@H]2CCCc3ccccc32)o1 ZINC000453391336 394229102 /nfs/dbraw/zinc/22/91/02/394229102.db2.gz YRUJLPRFMZELHY-OAHLLOKOSA-N 1 0 256.349 3.404 10 0 CGAERO CC[C@@H]1CN(c2ccc(Cl)cc2Cl)CC[NH2+]1 ZINC000083061021 135013657 /nfs/dbraw/zinc/01/36/57/135013657.db2.gz QNJRHWNEFYVPSD-SNVBAGLBSA-N 1 0 259.180 3.182 10 0 CGAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1c1ccc(C)cc1F ZINC000083383611 135017590 /nfs/dbraw/zinc/01/75/90/135017590.db2.gz NWYUDSKBBXZRKL-QWHCGFSZSA-N 1 0 250.361 3.101 10 0 CGAERO CC[C@@H]1CN(c2c(Cl)cccc2Cl)CC[NH2+]1 ZINC000083431251 135021035 /nfs/dbraw/zinc/02/10/35/135021035.db2.gz GOITUKGILYRNQN-SECBINFHSA-N 1 0 259.180 3.182 10 0 CGAERO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1c1ccc(C)c(F)c1 ZINC000083479874 135023892 /nfs/dbraw/zinc/02/38/92/135023892.db2.gz LTNFZOZOAUKHPT-XJKSGUPXSA-N 1 0 264.388 3.347 10 0 CGAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1c1cccc2ncccc21 ZINC000083515186 135026075 /nfs/dbraw/zinc/02/60/75/135026075.db2.gz KMEAZDIXBZUTFL-UONOGXRCSA-N 1 0 269.392 3.202 10 0 CGAERO CC(C)[C@@H]1CN(c2cccc3ncccc32)[C@H](C)C[NH2+]1 ZINC000083515151 135026293 /nfs/dbraw/zinc/02/62/93/135026293.db2.gz PDBBEKOJSKAWMM-CJNGLKHVSA-N 1 0 269.392 3.058 10 0 CGAERO CC(C)[C@@H]1CN(c2cc(Cl)ccc2Cl)CC[NH2+]1 ZINC000083536393 135027090 /nfs/dbraw/zinc/02/70/90/135027090.db2.gz ICABCFPRESPPBK-LBPRGKRZSA-N 1 0 273.207 3.428 10 0 CGAERO CC[C@@H]1C[NH2+][C@@H](CC)CN1c1ccc(F)c(F)c1F ZINC000083535435 135027190 /nfs/dbraw/zinc/02/71/90/135027190.db2.gz JJCYMIYAKJJTTA-VHSXEESVSA-N 1 0 272.314 3.071 10 0 CGAERO C[C@@H]1CN(c2ccc3c(c2)Cc2ccccc2-3)[C@@H](C)C[NH2+]1 ZINC000083587280 135030155 /nfs/dbraw/zinc/03/01/55/135030155.db2.gz DDLGHKSTRMHOSP-KGLIPLIRSA-N 1 0 278.399 3.444 10 0 CGAERO CCC1(CC)[C@H]([NH3+])[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]21 ZINC000669384298 543103730 /nfs/dbraw/zinc/10/37/30/543103730.db2.gz RZPCOBDDPBRVCI-JHJVBQTASA-N 1 0 282.428 3.149 10 0 CGAERO Cc1ccccc1[C@@H]1CCCN1C(=O)C1CCC([NH3+])CC1 ZINC000037817376 397608878 /nfs/dbraw/zinc/60/88/78/397608878.db2.gz QQQQXAVICBWVTG-DQPZFDDXSA-N 1 0 286.419 3.176 10 0 CGAERO Brc1csc(C[NH2+]CC[C@@H]2CCCO2)c1 ZINC000037988834 397609862 /nfs/dbraw/zinc/60/98/62/397609862.db2.gz SOYQVPGVXXFCJB-JTQLQIEISA-N 1 0 290.226 3.169 10 0 CGAERO C[C@H](COCc1ccccc1)[NH2+]Cc1cccc(F)c1N ZINC000390770211 397692473 /nfs/dbraw/zinc/69/24/73/397692473.db2.gz VKXRUAHJDFMGKU-CYBMUJFWSA-N 1 0 288.366 3.103 10 0 CGAERO C[C@H](NCC[C@H]1CCC[N@@H+]1C)c1cc(F)ccc1F ZINC000678738560 543552127 /nfs/dbraw/zinc/55/21/27/543552127.db2.gz FIJGPTDOHIJMAB-WCQYABFASA-N 1 0 268.351 3.100 10 0 CGAERO CCO[C@H]1C[C@@H]([NH2+]CC2(CC)CCC2)C12CCOCC2 ZINC000186377992 286490300 /nfs/dbraw/zinc/49/03/00/286490300.db2.gz CVISPABIZVXUOG-CABCVRRESA-N 1 0 281.440 3.131 10 0 CGAERO C[C@H]1C[C@H]1[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000052273781 286935768 /nfs/dbraw/zinc/93/57/68/286935768.db2.gz QWIWYOGHJGBNJN-OIBJUYFYSA-N 1 0 261.699 3.439 10 0 CGAERO Cc1ccc(C)c(C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000077729833 287042299 /nfs/dbraw/zinc/04/22/99/287042299.db2.gz FUKCYRAIEKOKCW-OAHLLOKOSA-N 1 0 276.424 3.010 10 0 CGAERO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)C1CCCCCC1 ZINC000079253578 287055192 /nfs/dbraw/zinc/05/51/92/287055192.db2.gz MUYJDIWMXANURC-AWEZNQCLSA-N 1 0 283.460 3.081 10 0 CGAERO CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C(C)C)N2CCCC2)C1 ZINC000080429044 287065470 /nfs/dbraw/zinc/06/54/70/287065470.db2.gz IYUZAQALXXCHMJ-PMPSAXMXSA-N 1 0 252.446 3.275 10 0 CGAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2sccc2C)C1 ZINC000070091888 165053714 /nfs/dbraw/zinc/05/37/14/165053714.db2.gz PRHRYWHAWKYVIL-QWHCGFSZSA-N 1 0 252.427 3.191 10 0 CGAERO CC(C)CCN(CCC(C)C)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000070576112 165065169 /nfs/dbraw/zinc/06/51/69/165065169.db2.gz CSBUMUWIUHAAGP-JKSUJKDBSA-N 1 0 282.472 3.425 10 0 CGAERO CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ncccn2)CC1 ZINC000071159300 165067491 /nfs/dbraw/zinc/06/74/91/165067491.db2.gz HUUNWKKUVZWCIC-ZBFHGGJFSA-N 1 0 288.439 3.004 10 0 CGAERO COc1ccc([C@@H]2C[C@H](C)[N@H+](C[C@@H]3CCCO3)C2)cc1 ZINC000076394157 165109981 /nfs/dbraw/zinc/10/99/81/165109981.db2.gz BERURDNEDBVFTM-LXZKKBNFSA-N 1 0 275.392 3.052 10 0 CGAERO CCN(C(=O)[C@H](C)[NH2+][C@H](C)C(C)C)c1ccccc1 ZINC000078595347 165134765 /nfs/dbraw/zinc/13/47/65/165134765.db2.gz DYNUNRTVUDHUGW-KGLIPLIRSA-N 1 0 262.397 3.062 10 0 CGAERO CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)C(C)C)c1ccccc1 ZINC000078595332 165137399 /nfs/dbraw/zinc/13/73/99/165137399.db2.gz DYNUNRTVUDHUGW-UONOGXRCSA-N 1 0 262.397 3.062 10 0 CGAERO Clc1cc(NCCC[NH+]2CCCCC2)ccn1 ZINC000084951421 165175051 /nfs/dbraw/zinc/17/50/51/165175051.db2.gz YGWWSLLAUUXWDK-UHFFFAOYSA-N 1 0 253.777 3.023 10 0 CGAERO C[C@@H]1CN(Cc2ccc3ccccc3c2)[C@@H](C)C[NH2+]1 ZINC000086466947 165180997 /nfs/dbraw/zinc/18/09/97/165180997.db2.gz UKERSJRGGNIVSE-KGLIPLIRSA-N 1 0 254.377 3.022 10 0 CGAERO CC[C@@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1nccs1 ZINC000090874696 165247415 /nfs/dbraw/zinc/24/74/15/165247415.db2.gz KQUHWHQYCQOKRG-CHWSQXEVSA-N 1 0 274.389 3.188 10 0 CGAERO CCCn1ccc(C[NH2+]C[C@H](C(CC)CC)N(C)C)c1 ZINC000091009984 165251859 /nfs/dbraw/zinc/25/18/59/165251859.db2.gz LMDQTXCVTUSQIS-QGZVFWFLSA-N 1 0 279.472 3.354 10 0 CGAERO CCn1cccc1C[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000091025152 165254145 /nfs/dbraw/zinc/25/41/45/165254145.db2.gz WYGVUNFXHSHZLT-AWEZNQCLSA-N 1 0 272.392 3.325 10 0 CGAERO CC(C)C(=O)NCCC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000090881208 287105324 /nfs/dbraw/zinc/10/53/24/287105324.db2.gz ZQFBKROWQCTVFG-LSDHHAIUSA-N 1 0 282.472 3.343 10 0 CGAERO C[C@H]([NH2+]CC1CC(O)C1)c1ccc(Cl)c(Cl)c1 ZINC000091524643 287108187 /nfs/dbraw/zinc/10/81/87/287108187.db2.gz LBPPTPYXUSXDNE-SILCLGDVSA-N 1 0 274.191 3.415 10 0 CGAERO OCCC[C@H]1CCC[N@@H+]1Cc1cccc(F)c1Cl ZINC000093170894 165324889 /nfs/dbraw/zinc/32/48/89/165324889.db2.gz BNKFNMIGAIMMDF-GFCCVEGCSA-N 1 0 271.763 3.216 10 0 CGAERO Cc1ccc([C@H]2C[N@H+](C[C@H]3CC=CCC3)CCO2)o1 ZINC000093864646 165339013 /nfs/dbraw/zinc/33/90/13/165339013.db2.gz KROYUAJCCCHUDK-GOEBONIOSA-N 1 0 261.365 3.318 10 0 CGAERO CC[N@@H+]1CCC[C@H](Nc2ncc(Br)cc2C)C1 ZINC000094050667 165342921 /nfs/dbraw/zinc/34/29/21/165342921.db2.gz KCHMUXFXADJHIF-LBPRGKRZSA-N 1 0 298.228 3.049 10 0 CGAERO C[NH2+]Cc1cccc(NC(=O)c2ccc(F)c(F)c2F)c1 ZINC000094184998 165347645 /nfs/dbraw/zinc/34/76/45/165347645.db2.gz ZQXXQFFAFUFESF-UHFFFAOYSA-N 1 0 294.276 3.076 10 0 CGAERO CCC[C@@H](C[NH+]1CCC(n2cncn2)CC1)c1ccccc1 ZINC000179902625 165647840 /nfs/dbraw/zinc/64/78/40/165647840.db2.gz KCKXAALBJLKGSU-KRWDZBQOSA-N 1 0 298.434 3.499 10 0 CGAERO CC[C@@H]([NH2+]CC[C@H]1c2ccccc2NC1=O)C(C)C ZINC000180397249 165656061 /nfs/dbraw/zinc/65/60/61/165656061.db2.gz KCVQOMRYPJFLNC-UONOGXRCSA-N 1 0 260.381 3.137 10 0 CGAERO Cc1ccccc1[C@@H]1C[N@H+](C[C@@H]2CCC=CO2)[C@@H](C)CO1 ZINC000248995439 165784108 /nfs/dbraw/zinc/78/41/08/165784108.db2.gz OTCJZPALCUPGGN-BQFCYCMXSA-N 1 0 287.403 3.450 10 0 CGAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)N[C@H]1CCCC[C@@H]1C ZINC000120020556 287176635 /nfs/dbraw/zinc/17/66/35/287176635.db2.gz SDEHBPKFLPDKCU-ZOBUZTSGSA-N 1 0 288.435 3.341 10 0 CGAERO CCC(=O)c1cc(C)ccc1OCC[NH+](CC)CC ZINC000003621454 169903770 /nfs/dbraw/zinc/90/37/70/169903770.db2.gz AHSGOPWHZBIDMO-UHFFFAOYSA-N 1 0 263.381 3.308 10 0 CGAERO C[NH+]1CCC(OC(=O)C2(c3ccccc3)CCCC2)CC1 ZINC000005966318 170163943 /nfs/dbraw/zinc/16/39/43/170163943.db2.gz PWMIFBVIRQUHHB-UHFFFAOYSA-N 1 0 287.403 3.136 10 0 CGAERO O=C(C[NH2+]C12CC3CC(CC(C3)C1)C2)Nc1ccccc1 ZINC000007908728 170307335 /nfs/dbraw/zinc/30/73/35/170307335.db2.gz USODAVIKIVVHTG-UHFFFAOYSA-N 1 0 284.403 3.184 10 0 CGAERO CC(C)COC[C@H]([NH3+])c1ccc(OC(C)C)cc1 ZINC000019273621 170768061 /nfs/dbraw/zinc/76/80/61/170768061.db2.gz AZERHBZVTXJYAW-HNNXBMFYSA-N 1 0 251.370 3.146 10 0 CGAERO Cc1ccc(OCc2cc(C[NH3+])ccc2F)cc1C ZINC000019275708 170769241 /nfs/dbraw/zinc/76/92/41/170769241.db2.gz YBUVJNJRACPXFD-UHFFFAOYSA-N 1 0 259.324 3.480 10 0 CGAERO CC(C)(C)c1cc(C[C@@H](C[NH3+])CO)cc(C(C)(C)C)c1O ZINC000019275971 170769293 /nfs/dbraw/zinc/76/92/93/170769293.db2.gz QBGGDPSMJBASQG-ZDUSSCGKSA-N 1 0 293.451 3.097 10 0 CGAERO COc1cc(C(N)=[NH2+])ccc1OCc1ccccc1Cl ZINC000019474109 170806687 /nfs/dbraw/zinc/80/66/87/170806687.db2.gz GCXJADIJEDSZBK-UHFFFAOYSA-N 1 0 290.750 3.212 10 0 CGAERO [NH3+]C[C@@H](Oc1cccc2cccnc21)c1ccccc1 ZINC000019670891 170835748 /nfs/dbraw/zinc/83/57/48/170835748.db2.gz MMQTXXIPEIOVNV-MRXNPFEDSA-N 1 0 264.328 3.314 10 0 CGAERO Cc1ccc(C)c([C@H]([NH3+])c2ccc3c(c2)OCCO3)c1 ZINC000019841735 170889900 /nfs/dbraw/zinc/88/99/00/170889900.db2.gz YKRHBQRANZCZCO-QGZVFWFLSA-N 1 0 269.344 3.123 10 0 CGAERO NC(=[NH2+])c1cccc(CSc2nc3ccccc3[nH]2)c1 ZINC000019848197 170897662 /nfs/dbraw/zinc/89/76/62/170897662.db2.gz RECHGSMZQUVUQA-UHFFFAOYSA-N 1 0 282.372 3.139 10 0 CGAERO COc1ccc(SCc2cccc(C(N)=[NH2+])c2)cc1 ZINC000019863384 170898519 /nfs/dbraw/zinc/89/85/19/170898519.db2.gz SCSZJZIBHIZJBA-UHFFFAOYSA-N 1 0 272.373 3.272 10 0 CGAERO Cc1ccc(Sc2cc(C(N)=[NH2+])ccn2)cc1C ZINC000019863480 170898724 /nfs/dbraw/zinc/89/87/24/170898724.db2.gz IBBHTIOJPNPSHQ-UHFFFAOYSA-N 1 0 257.362 3.134 10 0 CGAERO C[C@H]1C[C@H]1c1ccc(CNCC(C)(C)C[NH+](C)C)o1 ZINC000019905733 170917391 /nfs/dbraw/zinc/91/73/91/170917391.db2.gz ZAEPLSKZAWLARU-GXTWGEPZSA-N 1 0 264.413 3.080 10 0 CGAERO COc1cccc(OC)c1[C@@H]([NH3+])c1ccc(F)c(F)c1 ZINC000019968324 170950665 /nfs/dbraw/zinc/95/06/65/170950665.db2.gz ATHSJMJILLKRJD-HNNXBMFYSA-N 1 0 279.286 3.030 10 0 CGAERO Cc1ccc2c(c1)CCCN2C[C@@H]([NH3+])c1ccccc1 ZINC000020074129 170983562 /nfs/dbraw/zinc/98/35/62/170983562.db2.gz DGTUVWXZDNFELW-QGZVFWFLSA-N 1 0 266.388 3.448 10 0 CGAERO COCCC[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000020142503 171028489 /nfs/dbraw/zinc/02/84/89/171028489.db2.gz MNWDMEJCGAUJDD-DYCFOQDWSA-N 1 0 251.414 3.217 10 0 CGAERO CC(C)[C@@H](C[NH2+]Cc1ccc(Cl)cc1)N(C)C ZINC000020145407 171030148 /nfs/dbraw/zinc/03/01/48/171030148.db2.gz HZHDJLKIUPCHIJ-CQSZACIVSA-N 1 0 254.805 3.016 10 0 CGAERO CC(C)[C@H](CN[C@@H](C)c1c(F)cccc1F)[NH+](C)C ZINC000020145618 171030735 /nfs/dbraw/zinc/03/07/35/171030735.db2.gz QTHWOHMLRDAUNE-FZMZJTMJSA-N 1 0 270.367 3.202 10 0 CGAERO CC(C)[C@@H](C[NH2+][C@H](C)c1cccc(F)c1)N(C)C ZINC000020145841 171031344 /nfs/dbraw/zinc/03/13/44/171031344.db2.gz GCIRYGDOOSTYHD-IUODEOHRSA-N 1 0 252.377 3.063 10 0 CGAERO C[C@@H]([NH2+][C@H]1COc2cc(O)ccc21)c1cccc(F)c1 ZINC000020147980 171035220 /nfs/dbraw/zinc/03/52/20/171035220.db2.gz PVRKABJUBCSMNA-BMIGLBTASA-N 1 0 273.307 3.316 10 0 CGAERO C[C@H]([NH2+][C@@H]1COc2cc(O)ccc21)c1cccs1 ZINC000020148465 171037151 /nfs/dbraw/zinc/03/71/51/171037151.db2.gz XCVFRULJZHZTLS-JOYOIKCWSA-N 1 0 261.346 3.238 10 0 CGAERO CCCC[C@@H]([NH2+][C@@H](CC)CO)c1ccc(F)cc1 ZINC000020196053 171061280 /nfs/dbraw/zinc/06/12/80/171061280.db2.gz LOYOCTFJVRJSFN-LSDHHAIUSA-N 1 0 253.361 3.418 10 0 CGAERO C=COCCC[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000020197492 171062013 /nfs/dbraw/zinc/06/20/13/171062013.db2.gz NVFDZGMTWPHLOZ-NSHDSACASA-N 1 0 262.378 3.497 10 0 CGAERO CN(Cc1ccc(F)cc1)[C@H](C[NH3+])c1cccs1 ZINC000020225319 171087388 /nfs/dbraw/zinc/08/73/88/171087388.db2.gz ISGHQFRHKSULOH-CYBMUJFWSA-N 1 0 264.369 3.019 10 0 CGAERO CN(Cc1ccc(Cl)cc1)[C@@H](C[NH3+])c1ccccc1 ZINC000020225384 171088014 /nfs/dbraw/zinc/08/80/14/171088014.db2.gz HEZWCYYCFXAYRR-INIZCTEOSA-N 1 0 274.795 3.472 10 0 CGAERO Cc1noc(C)c1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000020252822 171104824 /nfs/dbraw/zinc/10/48/24/171104824.db2.gz NKPIPUBKVJXYCI-UHFFFAOYSA-N 1 0 260.381 3.350 10 0 CGAERO Cc1ccccc1O[C@H]1CCc2ccccc2[C@@H]1[NH3+] ZINC000020262586 171119670 /nfs/dbraw/zinc/11/96/70/171119670.db2.gz CBHALJXQCULYSK-IRXDYDNUSA-N 1 0 253.345 3.389 10 0 CGAERO C[C@H]([NH2+]C1CCCCCCC1)C(=O)N1CCCCCC1 ZINC000020314835 171145574 /nfs/dbraw/zinc/14/55/74/171145574.db2.gz OBDIEJNPWKPMJR-HNNXBMFYSA-N 1 0 280.456 3.480 10 0 CGAERO CCC[NH2+]CCOc1ccc(Cl)cc1Br ZINC000020361267 171159727 /nfs/dbraw/zinc/15/97/27/171159727.db2.gz HDWNUZJAYIDDRY-UHFFFAOYSA-N 1 0 292.604 3.481 10 0 CGAERO CC(C)[NH+](CCNc1ccc(N)cc1Cl)C(C)C ZINC000020381998 171172558 /nfs/dbraw/zinc/17/25/58/171172558.db2.gz VCXWKSCPXKJNQG-UHFFFAOYSA-N 1 0 269.820 3.453 10 0 CGAERO [NH3+][C@H](Cc1nc2ccccc2o1)c1cccc(F)c1 ZINC000020427997 171193063 /nfs/dbraw/zinc/19/30/63/171193063.db2.gz JUAZLIBZOFXJAG-GFCCVEGCSA-N 1 0 256.280 3.209 10 0 CGAERO [NH3+][C@H](Cc1nc2ccccc2o1)c1ccc(F)cc1 ZINC000020428058 171193103 /nfs/dbraw/zinc/19/31/03/171193103.db2.gz HTMRISKCBIBCPL-GFCCVEGCSA-N 1 0 256.280 3.209 10 0 CGAERO Cn1cc(CN2CCC[C@@H]([NH+]3CCCC3)C2)c2ccccc21 ZINC000020514362 171231466 /nfs/dbraw/zinc/23/14/66/171231466.db2.gz GAHOGQPLRJFDOI-QGZVFWFLSA-N 1 0 297.446 3.239 10 0 CGAERO C[C@@H]([NH3+])c1ccc(OCCCc2ccncc2)cc1 ZINC000020519649 171233649 /nfs/dbraw/zinc/23/36/49/171233649.db2.gz XYFCBEYYOLFPQJ-CYBMUJFWSA-N 1 0 256.349 3.113 10 0 CGAERO C[C@@H]1C[C@@H](C)C[NH+]([C@@]2(CN)CCCc3ccccc32)C1 ZINC000020561271 171252073 /nfs/dbraw/zinc/25/20/73/171252073.db2.gz ZMKXLOYOHYEWOL-IIDMSEBBSA-N 1 0 272.436 3.155 10 0 CGAERO COc1cc(C)ccc1O[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000021008590 171285454 /nfs/dbraw/zinc/28/54/54/171285454.db2.gz FEHNXGMJRLEAMU-ZIAGYGMSSA-N 1 0 263.381 3.433 10 0 CGAERO CCC[C@H]([NH3+])[C@@H](CC)Oc1ccc(OCC)cc1 ZINC000021060903 171297222 /nfs/dbraw/zinc/29/72/22/171297222.db2.gz PVMHHWTUIDBJLP-LSDHHAIUSA-N 1 0 251.370 3.370 10 0 CGAERO C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2CCCc3ccccc3[C@@H]2N)C1 ZINC000021814004 171331217 /nfs/dbraw/zinc/33/12/17/171331217.db2.gz VOEIWIRKFWQLQP-NONVJHHQSA-N 1 0 272.436 3.369 10 0 CGAERO CC(C)[C@@H]([C@H](N)c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000021816677 171332391 /nfs/dbraw/zinc/33/23/91/171332391.db2.gz AIUBBTLQHFCRBR-OIISXLGYSA-N 1 0 260.425 3.443 10 0 CGAERO C[C@@H](C(=O)Nc1ccc(Cl)c(N)c1)[N@@H+]1CCCC[C@H]1C ZINC000022153291 171360324 /nfs/dbraw/zinc/36/03/24/171360324.db2.gz UPVZEZKHMVETDM-MNOVXSKESA-N 1 0 295.814 3.124 10 0 CGAERO C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1N ZINC000022156106 171362477 /nfs/dbraw/zinc/36/24/77/171362477.db2.gz OFHDMPTZZKGAEK-LLVKDONJSA-N 1 0 295.814 3.125 10 0 CGAERO C[C@H]([NH3+])c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000022167012 171366190 /nfs/dbraw/zinc/36/61/90/171366190.db2.gz QIVVLKLBSOKDCH-JTQLQIEISA-N 1 0 258.296 3.098 10 0 CGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CC(=O)Nc1ccc(Cl)cc1N ZINC000022166739 171366194 /nfs/dbraw/zinc/36/61/94/171366194.db2.gz ILQWHKAKAAUHIY-GHMZBOCLSA-N 1 0 295.814 3.124 10 0 CGAERO C[C@@H]([NH3+])c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000022167009 171366338 /nfs/dbraw/zinc/36/63/38/171366338.db2.gz QIVVLKLBSOKDCH-SNVBAGLBSA-N 1 0 258.296 3.098 10 0 CGAERO C[C@H]([NH3+])c1ccc(NC(=O)Cc2ccccc2F)cc1 ZINC000022169070 171367443 /nfs/dbraw/zinc/36/74/43/171367443.db2.gz IIDZMCYRGMEUJA-NSHDSACASA-N 1 0 272.323 3.027 10 0 CGAERO [NH3+]C[C@H](c1ccc(F)c(F)c1)N1CCc2ccccc2C1 ZINC000022220375 171377824 /nfs/dbraw/zinc/37/78/24/171377824.db2.gz JSEHLZYGWUOZLB-QGZVFWFLSA-N 1 0 288.341 3.023 10 0 CGAERO CCOc1ccccc1O[C@@H]1C[C@H](CC)CC[C@@H]1[NH3+] ZINC000022563107 171391482 /nfs/dbraw/zinc/39/14/82/171391482.db2.gz IHUALKPPXYLCNH-DVOMOZLQSA-N 1 0 263.381 3.370 10 0 CGAERO COc1ccc(C)cc1[C@@H]([NH3+])COc1cccc(F)c1 ZINC000023070036 171410142 /nfs/dbraw/zinc/41/01/42/171410142.db2.gz MNSMMVFAZHRZIB-HNNXBMFYSA-N 1 0 275.323 3.222 10 0 CGAERO [NH3+][C@@H]1CCCCCCCCCC[C@H]1n1cncn1 ZINC000023070696 171411014 /nfs/dbraw/zinc/41/10/14/171411014.db2.gz BMASVTIPUBCGLU-ZIAGYGMSSA-N 1 0 250.390 3.061 10 0 CGAERO CCCCCOc1cc(OC)ccc1C[NH2+]CC ZINC000033435301 171796751 /nfs/dbraw/zinc/79/67/51/171796751.db2.gz PUNMOQUCVLNCCY-UHFFFAOYSA-N 1 0 251.370 3.374 10 0 CGAERO C[NH2+]Cc1cc(Cl)c(OCCC(C)C)c(OC)c1 ZINC000034656244 171849990 /nfs/dbraw/zinc/84/99/90/171849990.db2.gz BYRBTNPQXKPNBR-UHFFFAOYSA-N 1 0 271.788 3.493 10 0 CGAERO CC(C)[NH+](CCNC(=O)c1c[nH]c2ccccc12)C(C)C ZINC000035206709 172050675 /nfs/dbraw/zinc/05/06/75/172050675.db2.gz YASZPRGJICPNPA-UHFFFAOYSA-N 1 0 287.407 3.017 10 0 CGAERO FC(F)(F)[C@H]1CCCC[C@H]1[NH2+]Cc1ccncc1 ZINC000035258116 172089594 /nfs/dbraw/zinc/08/95/94/172089594.db2.gz DFXGRPIYAOYIPV-NWDGAFQWSA-N 1 0 258.287 3.292 10 0 CGAERO [NH3+][C@H](c1cccs1)c1ccc2c(c1)CCCC(=O)N2 ZINC000035382326 172164433 /nfs/dbraw/zinc/16/44/33/172164433.db2.gz RGQHBKYPYVLKEI-HNNXBMFYSA-N 1 0 272.373 3.071 10 0 CGAERO COc1ccc([C@H]([NH3+])c2ccc(C)o2)cc1Cl ZINC000035381577 172164531 /nfs/dbraw/zinc/16/45/31/172164531.db2.gz ZBKGLTZIVSHABM-ZDUSSCGKSA-N 1 0 251.713 3.298 10 0 CGAERO C[NH2+][C@H](c1cc(Br)ccc1OC)C1CC1 ZINC000035456601 172206776 /nfs/dbraw/zinc/20/67/76/172206776.db2.gz QHZLFJAMNKWVRO-LBPRGKRZSA-N 1 0 270.170 3.128 10 0 CGAERO C[NH2+][C@H](c1cnn(C)c1)c1cc(Cl)cc(Cl)c1 ZINC000035500339 172233885 /nfs/dbraw/zinc/23/38/85/172233885.db2.gz SYKLGJVERGKWJX-LBPRGKRZSA-N 1 0 270.163 3.036 10 0 CGAERO CC[NH2+][C@H](c1ccc2c(c1)OCCCO2)[C@@H]1C[C@@H]1C ZINC000035541572 172249687 /nfs/dbraw/zinc/24/96/87/172249687.db2.gz ARZAJLVRPYVJIM-NORZTCDRSA-N 1 0 261.365 3.155 10 0 CGAERO Cc1cnn(C)c1C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000285257660 196234441 /nfs/dbraw/zinc/23/44/41/196234441.db2.gz AZKSNKLNLADXJS-AWEZNQCLSA-N 1 0 257.381 3.196 10 0 CGAERO CC[NH2+][C@@H](c1ccc2c(c1)CCCC(=O)N2)C(C)C ZINC000035569881 172265262 /nfs/dbraw/zinc/26/52/62/172265262.db2.gz VUGQVHDRUOXZLB-MRXNPFEDSA-N 1 0 260.381 3.268 10 0 CGAERO CC[NH2+][C@@H](Cc1ncc[nH]1)c1c(F)cccc1Cl ZINC000035570515 172265994 /nfs/dbraw/zinc/26/59/94/172265994.db2.gz VPPDTCGYAPCSCN-NSHDSACASA-N 1 0 267.735 3.096 10 0 CGAERO CC[NH2+][C@@H](CC(F)(F)F)c1ccc(OC)c(F)c1 ZINC000035572396 172268750 /nfs/dbraw/zinc/26/87/50/172268750.db2.gz YPWLQBFZCKFMAR-JTQLQIEISA-N 1 0 265.250 3.437 10 0 CGAERO C[NH2+]Cc1c(Cl)cccc1N(C)Cc1ccco1 ZINC000035716389 172370055 /nfs/dbraw/zinc/37/00/55/172370055.db2.gz FTFQMILXEOIOOY-UHFFFAOYSA-N 1 0 264.756 3.289 10 0 CGAERO C[NH2+][C@H](C)c1cc(F)ccc1N(C)Cc1ccco1 ZINC000035702240 172370319 /nfs/dbraw/zinc/37/03/19/172370319.db2.gz KARHUTFCXLGUMI-LLVKDONJSA-N 1 0 262.328 3.336 10 0 CGAERO CC[C@H](C)SCCCOc1ccc(C[NH3+])cc1 ZINC000035722258 172377812 /nfs/dbraw/zinc/37/78/12/172377812.db2.gz OAVOLQZRTDCJTF-LBPRGKRZSA-N 1 0 253.411 3.446 10 0 CGAERO CCC[C@@H]1CC[C@H](C[NH3+])[C@H](Sc2nccn2C)C1 ZINC000035722654 172378086 /nfs/dbraw/zinc/37/80/86/172378086.db2.gz CRZNWCWDIHLITM-JHJVBQTASA-N 1 0 267.442 3.056 10 0 CGAERO COc1cccc(S[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000035723292 172378800 /nfs/dbraw/zinc/37/88/00/172378800.db2.gz IYNRRKALDLMCBN-SMDDNHRTSA-N 1 0 251.395 3.305 10 0 CGAERO COC(=O)C[C@@H](C)[NH2+]CCc1ccc(Cl)cc1Cl ZINC000035748197 172395945 /nfs/dbraw/zinc/39/59/45/172395945.db2.gz RAEVVUKPKZCHDV-SECBINFHSA-N 1 0 290.190 3.077 10 0 CGAERO CC[C@@H]1CO[C@@H](c2ccc(Cl)cc2Cl)C[NH2+]1 ZINC000036672858 172650386 /nfs/dbraw/zinc/65/03/86/172650386.db2.gz WNWUCCABWLFYLU-BXKDBHETSA-N 1 0 260.164 3.433 10 0 CGAERO C[C@H](Nc1ccc(F)cc1F)[C@@H]1CCC[N@H+](C)C1 ZINC000037210114 173032189 /nfs/dbraw/zinc/03/21/89/173032189.db2.gz YNIHKNGDFBFFNC-WDEREUQCSA-N 1 0 254.324 3.107 10 0 CGAERO Cc1ccc(F)c(N[C@H](C)[C@H]2CCC[N@H+](C)C2)c1 ZINC000037221894 173041953 /nfs/dbraw/zinc/04/19/53/173041953.db2.gz VCIWCICMKSPSPD-OLZOCXBDSA-N 1 0 250.361 3.276 10 0 CGAERO C[C@H]1CCCC[C@@H]1OC(=O)Nc1ccc(C[NH3+])cc1 ZINC000037222920 173043127 /nfs/dbraw/zinc/04/31/27/173043127.db2.gz ZPMHEKCLOLYZGO-FZMZJTMJSA-N 1 0 262.353 3.273 10 0 CGAERO CC[C@H]1CCCCN1[C@@H](C[NH3+])c1cc(F)ccc1F ZINC000037233600 173051965 /nfs/dbraw/zinc/05/19/65/173051965.db2.gz VGDNBUWNPUITGQ-WFASDCNBSA-N 1 0 268.351 3.229 10 0 CGAERO c1ccc2c(c1)CSC[C@@H]2[NH2+]CCCOCC1CC1 ZINC000037237288 173055396 /nfs/dbraw/zinc/05/53/96/173055396.db2.gz XIFWGKPXFCMVOP-INIZCTEOSA-N 1 0 277.433 3.381 10 0 CGAERO C[C@H](C1CC1)[N@H+](C)[C@@H](C)C(=O)c1ccc(F)cc1F ZINC000037338810 173140401 /nfs/dbraw/zinc/14/04/01/173140401.db2.gz HTAUGHBIJFDQRG-ZJUUUORDSA-N 1 0 267.319 3.266 10 0 CGAERO O[C@@H](c1cc(Cl)ccc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000037378760 173166853 /nfs/dbraw/zinc/16/68/53/173166853.db2.gz LLRBRQISVSMGIF-PRHODGIISA-N 1 0 260.164 3.026 10 0 CGAERO CCC[C@H]([NH3+])c1nc2cc(Br)ccc2[nH]1 ZINC000037441171 173211151 /nfs/dbraw/zinc/21/11/51/173211151.db2.gz OWFNDVMWKFJTQY-QMMMGPOBSA-N 1 0 268.158 3.125 10 0 CGAERO COc1ccccc1[C@]1([NH3+])CCCc2ccccc21 ZINC000037529476 173252836 /nfs/dbraw/zinc/25/28/36/173252836.db2.gz SAEGSLHQFFNEER-KRWDZBQOSA-N 1 0 253.345 3.234 10 0 CGAERO C[C@@H]([NH3+])CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000037607261 173555435 /nfs/dbraw/zinc/55/54/35/173555435.db2.gz GMAYDXWBISOBNE-ZCFIWIBFSA-N 1 0 280.677 3.035 10 0 CGAERO CCOC(=O)CCC[C@@H]([NH3+])c1ccc2c(c1)CCCC2 ZINC000037636366 173584099 /nfs/dbraw/zinc/58/40/99/173584099.db2.gz BRMLXZLHPPGCLQ-MRXNPFEDSA-N 1 0 275.392 3.299 10 0 CGAERO CC(C)(C)[C@H]1CCCC[C@]1([NH2+]C1CCCCC1)C(N)=O ZINC000037969659 173918351 /nfs/dbraw/zinc/91/83/51/173918351.db2.gz QDERJTFOTOHOFC-RHSMWYFYSA-N 1 0 280.456 3.369 10 0 CGAERO C[C@@H](NC[C@H](C)[NH+]1CCCCC1)c1c(F)cccc1F ZINC000038028376 174016761 /nfs/dbraw/zinc/01/67/61/174016761.db2.gz MSGCGXDFONZFGH-QWHCGFSZSA-N 1 0 282.378 3.490 10 0 CGAERO C[C@H](CC(=O)N(CC[NH3+])Cc1ccccc1)CC(C)(C)C ZINC000038033075 174029854 /nfs/dbraw/zinc/02/98/54/174029854.db2.gz PJGSWFFPSFZZND-OAHLLOKOSA-N 1 0 290.451 3.436 10 0 CGAERO CC[NH2+][C@H](C)c1ccccc1-n1cc(Br)cn1 ZINC000038054453 174065938 /nfs/dbraw/zinc/06/59/38/174065938.db2.gz PMOYNPBIRSTMMP-SNVBAGLBSA-N 1 0 294.196 3.305 10 0 CGAERO C[NH2+][C@H](c1ccoc1C)c1ccc2c(c1)CCCO2 ZINC000038057873 174068228 /nfs/dbraw/zinc/06/82/28/174068228.db2.gz WRSMYPMRNPFLCB-INIZCTEOSA-N 1 0 257.333 3.222 10 0 CGAERO C[NH2+]Cc1cc(-c2cc(F)ccc2F)ccc1OC ZINC000038072273 174082571 /nfs/dbraw/zinc/08/25/71/174082571.db2.gz WFQOWKAERWSKLI-UHFFFAOYSA-N 1 0 263.287 3.360 10 0 CGAERO C[NH2+]Cc1cc(-c2ccc(OC)cc2F)ccc1F ZINC000038073801 174083813 /nfs/dbraw/zinc/08/38/13/174083813.db2.gz BOGRWYDLPMOSGO-UHFFFAOYSA-N 1 0 263.287 3.360 10 0 CGAERO Fc1ccc(C2CC([NH2+]CC[C@@H]3CCCO3)C2)cc1 ZINC000038096127 174110478 /nfs/dbraw/zinc/11/04/78/174110478.db2.gz VBTFIATXZWHNHB-BCLQGDPASA-N 1 0 263.356 3.230 10 0 CGAERO [NH3+]C[C@H](c1cccc(Br)c1)N1CCCCCC1 ZINC000038808957 174156670 /nfs/dbraw/zinc/15/66/70/174156670.db2.gz LPKCXQRCNIOQHW-CQSZACIVSA-N 1 0 297.240 3.325 10 0 CGAERO CCOCCn1c2ccccc2nc1[C@H]([NH3+])CC(C)C ZINC000040163869 174196944 /nfs/dbraw/zinc/19/69/44/174196944.db2.gz QPOCGXFUTWWUOX-CYBMUJFWSA-N 1 0 275.396 3.119 10 0 CGAERO CCOc1cccc([C@H]([NH3+])c2nc(C)c(C)s2)c1 ZINC000041182626 174505927 /nfs/dbraw/zinc/50/59/27/174505927.db2.gz KFZMPVYYGIIBLE-ZDUSSCGKSA-N 1 0 262.378 3.207 10 0 CGAERO Cc1cc(NCC[NH+]2CCCC2)ccc1Br ZINC000041440375 174553423 /nfs/dbraw/zinc/55/34/23/174553423.db2.gz KNMWPBFBRVEDCN-UHFFFAOYSA-N 1 0 283.213 3.265 10 0 CGAERO CCN1CCC[C@@H]([NH2+][C@@H](c2cccs2)C2CC2)C1 ZINC000042331605 174687585 /nfs/dbraw/zinc/68/75/85/174687585.db2.gz BDIUPDCYNABKPN-UKRRQHHQSA-N 1 0 264.438 3.273 10 0 CGAERO COc1cccc(OC)c1[C@H]([NH3+])c1sccc1C ZINC000042728771 174858206 /nfs/dbraw/zinc/85/82/06/174858206.db2.gz CWSWAZOAURMLLV-ZDUSSCGKSA-N 1 0 263.362 3.122 10 0 CGAERO C[C@H]([NH3+])[C@H](c1ccccc1)N(CC(F)(F)F)C1CC1 ZINC000042902666 174906837 /nfs/dbraw/zinc/90/68/37/174906837.db2.gz KOUCTODMRXMGBB-GXFFZTMASA-N 1 0 272.314 3.102 10 0 CGAERO CC[C@@H]([NH3+])[C@H](OC(C)(C)C)c1cccc(OC)c1 ZINC000043030588 174948680 /nfs/dbraw/zinc/94/86/80/174948680.db2.gz HHJYIPCUNZLTQX-ZIAGYGMSSA-N 1 0 251.370 3.289 10 0 CGAERO Cc1ccccc1[C@H]([C@H](C)[NH3+])N(C)Cc1ccoc1 ZINC000043036194 174951009 /nfs/dbraw/zinc/95/10/09/174951009.db2.gz MFOQNSIZJYXFTR-BBRMVZONSA-N 1 0 258.365 3.108 10 0 CGAERO C[C@@H]([NH3+])c1cc(F)ccc1Oc1cccc(CO)c1 ZINC000043475914 175054940 /nfs/dbraw/zinc/05/49/40/175054940.db2.gz HXAVRGOKSQGRFT-SNVBAGLBSA-N 1 0 261.296 3.130 10 0 CGAERO CCCOc1ccc([C@@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000044114945 175141602 /nfs/dbraw/zinc/14/16/02/175141602.db2.gz FLSMCNZYFCIPSU-KRWDZBQOSA-N 1 0 277.408 3.241 10 0 CGAERO CC(C)Oc1ccc([C@@H](O)C[NH+]2CCCCCC2)cc1 ZINC000044118317 175142290 /nfs/dbraw/zinc/14/22/90/175142290.db2.gz ZPBDQBGIDCBYSX-KRWDZBQOSA-N 1 0 277.408 3.383 10 0 CGAERO COc1ccc(C)cc1[C@H](O)C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000044121891 175143077 /nfs/dbraw/zinc/14/30/77/175143077.db2.gz FADUGDIGKVAMEP-OFQRWUPVSA-N 1 0 277.408 3.300 10 0 CGAERO CCCCOCCC[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000128045743 287302294 /nfs/dbraw/zinc/30/22/94/287302294.db2.gz NFCNHGFRQHBIKG-CYBMUJFWSA-N 1 0 281.444 3.377 10 0 CGAERO COc1ccc(Br)c2c1CC[NH2+][C@H]2C(C)C ZINC000070821307 176007520 /nfs/dbraw/zinc/00/75/20/176007520.db2.gz CXRJKUQNBCKBED-ZDUSSCGKSA-N 1 0 284.197 3.301 10 0 CGAERO CC[C@@H](c1cccc(Cl)c1)N1CC[C@H](C[NH2+]C)C1 ZINC000071141872 176040077 /nfs/dbraw/zinc/04/00/77/176040077.db2.gz CPTCGKHFWFDPTC-DOMZBBRYSA-N 1 0 266.816 3.332 10 0 CGAERO C[C@@H](Oc1cc(F)ccc1F)[C@H]([NH3+])c1ccccc1 ZINC000071167660 176049268 /nfs/dbraw/zinc/04/92/68/176049268.db2.gz JBMJGTORQAQZTN-BMIGLBTASA-N 1 0 263.287 3.432 10 0 CGAERO CC[NH2+][C@H](C)c1cnn(Cc2ccc(F)cc2)c1C ZINC000071193340 176075066 /nfs/dbraw/zinc/07/50/66/176075066.db2.gz LHELIGHTFNJYPA-LLVKDONJSA-N 1 0 261.344 3.049 10 0 CGAERO c1ccc2cc([C@H]3C[NH2+]C[C@@H](C4CC4)O3)ccc2c1 ZINC000071308862 176116079 /nfs/dbraw/zinc/11/60/79/176116079.db2.gz UENFWRLNKMGTBS-DLBZAZTESA-N 1 0 253.345 3.279 10 0 CGAERO [NH3+][C@H](c1c[nH]c2ccc(Br)cc21)C1CC1 ZINC000071488171 176189815 /nfs/dbraw/zinc/18/98/15/176189815.db2.gz PXLLFABPFSLCMI-LBPRGKRZSA-N 1 0 265.154 3.340 10 0 CGAERO Brc1csc([C@@H]2CCC[NH2+]CC2)c1 ZINC000071586020 176212127 /nfs/dbraw/zinc/21/21/27/176212127.db2.gz QBVGJPTZXMBTSU-MRVPVSSYSA-N 1 0 260.200 3.368 10 0 CGAERO CC[NH2+][C@H](C(=O)c1ccc(OC)c(C)c1C)C(C)C ZINC000071596009 176219337 /nfs/dbraw/zinc/21/93/37/176219337.db2.gz QPRUEIIRJXDLMK-HNNXBMFYSA-N 1 0 263.381 3.129 10 0 CGAERO C[NH2+][C@H](C(C)C)[C@H](O)c1ccc(OC)c(C(C)C)c1 ZINC000071597974 176221493 /nfs/dbraw/zinc/22/14/93/176221493.db2.gz KJKRAAZMHMBTRS-HZPDHXFCSA-N 1 0 265.397 3.096 10 0 CGAERO CC(C)[NH2+]C[C@@H](O)c1ccc(OC(C)C)c(Cl)c1 ZINC000071611280 176231693 /nfs/dbraw/zinc/23/16/93/176231693.db2.gz LMMCQBHSTWEAQB-CYBMUJFWSA-N 1 0 271.788 3.159 10 0 CGAERO CC(C)c1c(C[NH3+])cnn1-c1ccc(Br)cc1 ZINC000071649858 176240663 /nfs/dbraw/zinc/24/06/63/176240663.db2.gz ZSFGDMCLRYZLPA-UHFFFAOYSA-N 1 0 294.196 3.217 10 0 CGAERO Cc1cc(Cl)ccc1C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000128910028 287320369 /nfs/dbraw/zinc/32/03/69/287320369.db2.gz AYKABVLPQYPAQR-SMDDNHRTSA-N 1 0 253.773 3.306 10 0 CGAERO CC(C)C[NH2+][C@@H]1CCN(C(=O)Oc2ccccc2)C[C@@H]1C ZINC000073655152 176483389 /nfs/dbraw/zinc/48/33/89/176483389.db2.gz AXIVCHHXGQGPKG-GOEBONIOSA-N 1 0 290.407 3.141 10 0 CGAERO [NH3+]CC1(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000076542224 177035974 /nfs/dbraw/zinc/03/59/74/177035974.db2.gz OOCOVXAOOTWYDI-UHFFFAOYSA-N 1 0 292.688 3.036 10 0 CGAERO CC[C@H](C[NH3+])CCC(=O)Nc1ccccc1Cl ZINC000076659049 177047540 /nfs/dbraw/zinc/04/75/40/177047540.db2.gz YLTSYLXROIAAFA-JTQLQIEISA-N 1 0 254.761 3.044 10 0 CGAERO Cc1ccccc1CC[C@@H](CC[NH3+])c1ccccn1 ZINC000076658465 177047627 /nfs/dbraw/zinc/04/76/27/177047627.db2.gz ABMUBMVJHIJFAX-INIZCTEOSA-N 1 0 254.377 3.455 10 0 CGAERO [NH3+]CC[C@H](CCc1ccccc1F)c1cccnc1 ZINC000076666282 177051150 /nfs/dbraw/zinc/05/11/50/177051150.db2.gz NESYCAOZCWMFEF-ZDUSSCGKSA-N 1 0 258.340 3.286 10 0 CGAERO CC[C@@H](C[NH3+])CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000076719125 177069433 /nfs/dbraw/zinc/06/94/33/177069433.db2.gz HNKLCPVBQBYNHI-SECBINFHSA-N 1 0 274.286 3.019 10 0 CGAERO CC[C@@H](C[NH3+])CC(=O)Nc1ccccc1C(F)(F)F ZINC000076719113 177069599 /nfs/dbraw/zinc/06/95/99/177069599.db2.gz IEUKGHGNYQQODQ-SECBINFHSA-N 1 0 274.286 3.019 10 0 CGAERO CC[NH2+]CCc1csc(Cc2ccccc2F)n1 ZINC000076783252 177091267 /nfs/dbraw/zinc/09/12/67/177091267.db2.gz FTSPDVVRJWCHDF-UHFFFAOYSA-N 1 0 264.369 3.025 10 0 CGAERO COCc1c2cc(Cl)ccc2oc1C[NH2+]C1CC1 ZINC000077069932 177184812 /nfs/dbraw/zinc/18/48/12/177184812.db2.gz VPPCTMIBJGAMGV-UHFFFAOYSA-N 1 0 265.740 3.485 10 0 CGAERO CC(C)COc1ccc([C@H](C)[NH2+]C2CSC2)cc1 ZINC000679840816 543664592 /nfs/dbraw/zinc/66/45/92/543664592.db2.gz NNOVNHXBUABVNR-LBPRGKRZSA-N 1 0 265.422 3.487 10 0 CGAERO CC[C@@H](Cc1ccccc1)[N@H+](C)C[C@H](O)COC(C)(C)C ZINC000131554105 287383487 /nfs/dbraw/zinc/38/34/87/287383487.db2.gz QKXDBLKJQPLHBT-IRXDYDNUSA-N 1 0 293.451 3.116 10 0 CGAERO CCCCOC[C@H](O)C[NH+]1CCC(C2CCCC2)CC1 ZINC000683994462 543960096 /nfs/dbraw/zinc/96/00/96/543960096.db2.gz CWVQEJRKOUXRTB-QGZVFWFLSA-N 1 0 283.456 3.066 10 0 CGAERO CCCC1CCC(C[NH3+])(C(=O)OC(C)(C)C)CC1 ZINC000725245587 544111805 /nfs/dbraw/zinc/11/18/05/544111805.db2.gz WDIRXXPSVJYBLM-UHFFFAOYSA-N 1 0 255.402 3.264 10 0 CGAERO C[C@H]([NH2+]C1CC(CO)C1)c1cccc(C(F)(F)F)c1 ZINC000658351910 418947003 /nfs/dbraw/zinc/94/70/03/418947003.db2.gz QTKQJXKVZFEOKN-JBLZRFIASA-N 1 0 273.298 3.127 10 0 CGAERO OCC1CC([NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)C1 ZINC000658355025 418948133 /nfs/dbraw/zinc/94/81/33/418948133.db2.gz FVHZXGVTBSLWOM-LBRDCAJSSA-N 1 0 265.784 3.152 10 0 CGAERO CN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)C1CC(C)(C)CC(C)(C)C1 ZINC000659346371 418979629 /nfs/dbraw/zinc/97/96/29/418979629.db2.gz CODCBUAMOCUENM-CHWSQXEVSA-N 1 0 280.456 3.177 10 0 CGAERO CC(C)(C)[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000660454116 419146419 /nfs/dbraw/zinc/14/64/19/419146419.db2.gz VLRZJGZZQFFQGS-KFWWJZLASA-N 1 0 253.430 3.296 10 0 CGAERO Cc1cncc(CC[NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)n1 ZINC000657712403 419331936 /nfs/dbraw/zinc/33/19/36/419331936.db2.gz RSWVFNBYDWXXGD-DOMZBBRYSA-N 1 0 261.413 3.132 10 0 CGAERO C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C2CC(CO)C2)C1 ZINC000657810772 419363750 /nfs/dbraw/zinc/36/37/50/419363750.db2.gz KUBPFJSHAMTQES-CESNZTBESA-N 1 0 273.420 3.319 10 0 CGAERO c1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CCCSCC1 ZINC000657818380 419367660 /nfs/dbraw/zinc/36/76/60/419367660.db2.gz ANKNJKYQASEFNJ-OCCSQVGLSA-N 1 0 263.406 3.386 10 0 CGAERO Cc1ccc2[nH+]ccc(N3CCC([C@@H](C)O)CC3)c2c1 ZINC000185687725 287552612 /nfs/dbraw/zinc/55/26/12/287552612.db2.gz YYRMIDNWSAQWRF-CYBMUJFWSA-N 1 0 270.376 3.140 10 0 CGAERO CCn1nc(C)c([C@H](C)[NH2+]CCCOC(C)(C)C)c1C ZINC000658185690 419646695 /nfs/dbraw/zinc/64/66/95/419646695.db2.gz OAOOAMGTYQQQMY-LBPRGKRZSA-N 1 0 281.444 3.376 10 0 CGAERO C[C@@H]1CCC[C@H](CCNC(=O)[C@@](C)([NH3+])c2ccccc2)C1 ZINC000226872151 287635986 /nfs/dbraw/zinc/63/59/86/287635986.db2.gz IVGSONMRTLFANI-RKVPGOIHSA-N 1 0 288.435 3.193 10 0 CGAERO COc1ccc(C)cc1[C@H](C)[NH2+]CC(C)(C)C(C)(C)O ZINC000393695252 264303394 /nfs/dbraw/zinc/30/33/94/264303394.db2.gz OZWWWUMYDCWNGG-ZDUSSCGKSA-N 1 0 279.424 3.451 10 0 CGAERO CCc1ccc([C@H](C)[NH2+]CC(=O)N[C@H](C)C(C)C)cc1 ZINC000042313708 270031919 /nfs/dbraw/zinc/03/19/19/270031919.db2.gz CEJAXLKHUFMWIS-KGLIPLIRSA-N 1 0 276.424 3.060 10 0 CGAERO CCSc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2CO)c1 ZINC000185547675 270063348 /nfs/dbraw/zinc/06/33/48/270063348.db2.gz JSCXTJCOHNDPIE-GDBMZVCRSA-N 1 0 279.449 3.439 10 0 CGAERO CC/C=C/CC[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000184713484 270060235 /nfs/dbraw/zinc/06/02/35/270060235.db2.gz RPVPSLGQVCJLNC-IHVVCDCBSA-N 1 0 261.365 3.465 10 0 CGAERO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1nnc(C(C)C)n1C ZINC000191831876 270076410 /nfs/dbraw/zinc/07/64/10/270076410.db2.gz MOPABYZNKVUVLI-KBPBESRZSA-N 1 0 278.444 3.387 10 0 CGAERO CC[C@@H](C)[NH+]1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000192735396 270077567 /nfs/dbraw/zinc/07/75/67/270077567.db2.gz MIINPFJFXRFUHI-OAHLLOKOSA-N 1 0 299.418 3.258 10 0 CGAERO CCCc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN2C)cc1 ZINC000222697068 270086104 /nfs/dbraw/zinc/08/61/04/270086104.db2.gz WKGKMWOHWFQRLC-RHSMWYFYSA-N 1 0 260.425 3.384 10 0 CGAERO CCCn1cc(C[NH2+][C@@H](C)c2cccc(C)c2)cn1 ZINC000227326908 270086975 /nfs/dbraw/zinc/08/69/75/270086975.db2.gz IECADMNRSBZLNG-AWEZNQCLSA-N 1 0 257.381 3.452 10 0 CGAERO CCN1CCC[C@@H]([NH2+][C@H](C)c2cc(C)cc(C)c2)C1 ZINC000250372328 270091388 /nfs/dbraw/zinc/09/13/88/270091388.db2.gz VWHSFZOQFDYOLY-NVXWUHKLSA-N 1 0 260.425 3.438 10 0 CGAERO CC(=O)N1CCCc2cc(-c3ccc(F)cc3C[NH3+])ccc21 ZINC000096152263 273489912 /nfs/dbraw/zinc/48/99/12/273489912.db2.gz PKAVKFOQEPEYPT-UHFFFAOYSA-N 1 0 298.361 3.251 10 0 CGAERO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CN(C(C)C)C[C@@H]1C)CC2 ZINC000181281877 274139080 /nfs/dbraw/zinc/13/90/80/274139080.db2.gz AQZGHQRPNRFNLH-VHSSKADRSA-N 1 0 288.435 3.001 10 0 CGAERO 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COc1cc(N[C@@H](C)[C@H]2CCC[NH2+]C2)c(OC)cc1Cl ZINC000569591918 322251544 /nfs/dbraw/zinc/25/15/44/322251544.db2.gz WKQVUKPVKPXCGN-QWRGUYRKSA-N 1 0 298.814 3.157 10 0 CGAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000571418186 322298420 /nfs/dbraw/zinc/29/84/20/322298420.db2.gz SAVJLQVTDMTDKG-WUHRBBMRSA-N 1 0 279.346 3.248 10 0 CGAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000571418187 322298472 /nfs/dbraw/zinc/29/84/72/322298472.db2.gz SAVJLQVTDMTDKG-YVECIDJPSA-N 1 0 279.346 3.248 10 0 CGAERO C[C@@H]([NH2+]Cc1cnns1)C12CC3CC(CC(C3)C1)C2 ZINC000389123050 328622771 /nfs/dbraw/zinc/62/27/71/328622771.db2.gz RRTGDAPTXHSRFZ-QFGHMXTESA-N 1 0 277.437 3.233 10 0 CGAERO Brc1ccc([C@@H]2C[NH2+]CC23CCC3)cc1 ZINC000536949797 330382153 /nfs/dbraw/zinc/38/21/53/330382153.db2.gz FNGYCURQJCAFJM-LBPRGKRZSA-N 1 0 266.182 3.306 10 0 CGAERO CC(C)(C)OC(=O)C1([NH3+])CCC(C(C)(C)C)CC1 ZINC000521400588 333250025 /nfs/dbraw/zinc/25/00/25/333250025.db2.gz MSMPBLWYABILBQ-UHFFFAOYSA-N 1 0 255.402 3.262 10 0 CGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCC(C)(C)CO ZINC000385885388 336159536 /nfs/dbraw/zinc/15/95/36/336159536.db2.gz LVQLQWYZEKGARB-QLFBSQMISA-N 1 0 255.446 3.445 10 0 CGAERO CC(C)[NH2+]C[C@H]1CC[C@H](COC2CCC(C)CC2)O1 ZINC000052619439 519725831 /nfs/dbraw/zinc/72/58/31/519725831.db2.gz GYLURMNCUBBAPA-QDIHITRGSA-N 1 0 269.429 3.127 10 0 CGAERO CC[NH2+]C[C@H](OCCCOC)c1ccccc1Cl ZINC000050486324 519974434 /nfs/dbraw/zinc/97/44/34/519974434.db2.gz DCYLKGAACXLEOQ-AWEZNQCLSA-N 1 0 271.788 3.044 10 0 CGAERO CC[NH2+][C@@H]1CCN(c2ccc(F)cc2Cl)C[C@@H]1C ZINC000049711617 520121111 /nfs/dbraw/zinc/12/11/11/520121111.db2.gz UKDCSWQTBIEJKM-GXFFZTMASA-N 1 0 270.779 3.303 10 0 CGAERO CCC[N@H+](CC1CC1)[C@@H](CN)c1ccccc1CC ZINC000052203734 521626814 /nfs/dbraw/zinc/62/68/14/521626814.db2.gz YTXMQOOUAVLKOQ-KRWDZBQOSA-N 1 0 260.425 3.371 10 0 CGAERO CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)COCc1ccccc1 ZINC000425342639 533993915 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519794258 /nfs/dbraw/zinc/79/42/58/519794258.db2.gz ZTYGFECKHFAKHO-LLVKDONJSA-N 1 0 256.187 3.223 10 0 CGAERO CC(C)[C@@H](CNC1CC1)[N@H+](C)C1CCC(C)CC1 ZINC000052345301 519794799 /nfs/dbraw/zinc/79/47/99/519794799.db2.gz ULJZLJKFEGEZGQ-AVVWSFFYSA-N 1 0 252.446 3.274 10 0 CGAERO CC(C)[C@H]1CN(CC(F)(F)F)c2ccccc2C[NH2+]1 ZINC000062666227 519826779 /nfs/dbraw/zinc/82/67/79/519826779.db2.gz XHXXIENEYMORDR-GFCCVEGCSA-N 1 0 272.314 3.183 10 0 CGAERO CC(C)[C@H]1CN(Cc2ccc(Cl)cc2)CCC[NH2+]1 ZINC000062663564 519827030 /nfs/dbraw/zinc/82/70/30/519827030.db2.gz QIOGIFDQMFWCRN-OAHLLOKOSA-N 1 0 266.816 3.160 10 0 CGAERO CCC[NH2+]CCCc1ccccc1Br ZINC000052949159 519914375 /nfs/dbraw/zinc/91/43/75/519914375.db2.gz KCXBXEUFLOLFOX-UHFFFAOYSA-N 1 0 256.187 3.381 10 0 CGAERO CC[NH2+]CCCCCN(CC)c1ccc(F)cc1 ZINC000052512214 519919464 /nfs/dbraw/zinc/91/94/64/519919464.db2.gz QVRLLLHTQYTNDO-UHFFFAOYSA-N 1 0 252.377 3.432 10 0 CGAERO CCC[NH2+]C[C@H](C(C)C)N1CCc2sccc2C1 ZINC000052382838 519930429 /nfs/dbraw/zinc/93/04/29/519930429.db2.gz BDPJRSNMLKNONX-CQSZACIVSA-N 1 0 266.454 3.130 10 0 CGAERO CCC[NH2+]C[C@H](OCCOC)c1ccccc1Cl ZINC000050495618 519935108 /nfs/dbraw/zinc/93/51/08/519935108.db2.gz LZWMSFHUPKKBFD-AWEZNQCLSA-N 1 0 271.788 3.044 10 0 CGAERO CCC[NH2+]Cc1cccnc1OCCCC(C)C ZINC000051541589 519955733 /nfs/dbraw/zinc/95/57/33/519955733.db2.gz AIDJZPKBCZFGPB-UHFFFAOYSA-N 1 0 250.386 3.396 10 0 CGAERO CC[NH2+]C[C@]1(Cc2c(F)cccc2Cl)CCOC1 ZINC000054664332 519983793 /nfs/dbraw/zinc/98/37/93/519983793.db2.gz XJYDZTFVWPUXTC-CQSZACIVSA-N 1 0 271.763 3.038 10 0 CGAERO CCOCCO[C@@H](C[NH2+]CC(C)C)c1ccccc1 ZINC000052604472 520017436 /nfs/dbraw/zinc/01/74/36/520017436.db2.gz BPXWERZVZSOYSK-INIZCTEOSA-N 1 0 265.397 3.026 10 0 CGAERO CCC[NH2+][C@@H]1CCN([C@@H](CC)C2CCCCC2)C1 ZINC000052340444 520024245 /nfs/dbraw/zinc/02/42/45/520024245.db2.gz FBWJOBSYCUOEHU-CVEARBPZSA-N 1 0 252.446 3.419 10 0 CGAERO CCC[NH2+][C@@H]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000049693946 520025359 /nfs/dbraw/zinc/02/53/59/520025359.db2.gz PQXOALDHGCBNAP-SWLSCSKDSA-N 1 0 250.361 3.040 10 0 CGAERO CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1N(C)CC(C)C ZINC000054554936 520120103 /nfs/dbraw/zinc/12/01/03/520120103.db2.gz YKPKFYMGFZVWIN-OAGGEKHMSA-N 1 0 254.462 3.377 10 0 CGAERO CCO[C@@H](C[NH3+])CCSc1ccc2c(c1)CCC2 ZINC000062741956 520309470 /nfs/dbraw/zinc/30/94/70/520309470.db2.gz ZZEJARCAXVMCBR-CQSZACIVSA-N 1 0 265.422 3.021 10 0 CGAERO CCCC[N@H+](Cc1cccnc1C(N)=S)[C@@H](C)CC ZINC000061663556 520548997 /nfs/dbraw/zinc/54/89/97/520548997.db2.gz FDFZDFYKJLJAPS-LBPRGKRZSA-N 1 0 279.453 3.116 10 0 CGAERO CCC[C@@](C)(C[NH2+]CC(C)C)Cc1cnn(CC)c1 ZINC000054657330 520911931 /nfs/dbraw/zinc/91/19/31/520911931.db2.gz DSUCVWYFODQTAQ-MRXNPFEDSA-N 1 0 265.445 3.498 10 0 CGAERO CCCC[C@@](CC)(C[NH2+]C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000054657993 521123992 /nfs/dbraw/zinc/12/39/92/521123992.db2.gz BXBBSLJUODJKBX-CABCVRRESA-N 1 0 289.485 3.006 10 0 CGAERO CCC[C@H]([NH2+]CCCC(=O)OC)c1cccs1 ZINC000049544331 521156646 /nfs/dbraw/zinc/15/66/46/521156646.db2.gz BVABVIIUWDJYPZ-NSHDSACASA-N 1 0 255.383 3.132 10 0 CGAERO CCN(C[C@@H]1CCCC[C@@H]1[NH2+]C)c1cccc(F)c1 ZINC000053858746 521220732 /nfs/dbraw/zinc/22/07/32/521220732.db2.gz BJCRVCBARBJEDC-BBRMVZONSA-N 1 0 264.388 3.430 10 0 CGAERO CCCn1cc([C@@H]([NH3+])Cc2ccc(C)c(C)c2)cn1 ZINC000061681576 521654698 /nfs/dbraw/zinc/65/46/98/521654698.db2.gz YASUYKXDLCQRLS-INIZCTEOSA-N 1 0 257.381 3.152 10 0 CGAERO C[NH2+]Cc1sc2ccccc2c1COCCCOC ZINC000052597447 522168572 /nfs/dbraw/zinc/16/85/72/522168572.db2.gz GYFYLBOPYAHYDI-UHFFFAOYSA-N 1 0 279.405 3.174 10 0 CGAERO CC[C@H](C[NH2+]CC(C)C)N(C)c1ccccc1F ZINC000052543036 522195576 /nfs/dbraw/zinc/19/55/76/522195576.db2.gz GBAMGELUFDOTSL-CYBMUJFWSA-N 1 0 252.377 3.286 10 0 CGAERO COc1cc(C)c([C@H](O)CCC[NH3+])cc1C(C)(C)C ZINC000062540259 522230560 /nfs/dbraw/zinc/23/05/60/522230560.db2.gz ONKRTAUMWHXMTK-CQSZACIVSA-N 1 0 265.397 3.073 10 0 CGAERO CC[C@H]([NH3+])Cc1cnc(-c2ccc(Cl)cc2)nc1 ZINC000054858206 522335137 /nfs/dbraw/zinc/33/51/37/522335137.db2.gz CYBJSYLMUZZCNT-ZDUSSCGKSA-N 1 0 261.756 3.077 10 0 CGAERO CCc1nc(N2CCC[C@@H]3CCCC[C@@H]32)sc1C[NH3+] ZINC000054997989 522385645 /nfs/dbraw/zinc/38/56/45/522385645.db2.gz WNTLPUKBZSULEG-AAEUAGOBSA-N 1 0 279.453 3.323 10 0 CGAERO COc1cc(C[NH2+]C(C)(C)C)c(SC)cc1OC ZINC000086498476 522440581 /nfs/dbraw/zinc/44/05/81/522440581.db2.gz YJIXIWLGMFCARE-UHFFFAOYSA-N 1 0 269.410 3.314 10 0 CGAERO C[NH2+][C@H](Cc1cccs1)Cc1ccccc1OC ZINC000052900556 522472813 /nfs/dbraw/zinc/47/28/13/522472813.db2.gz RQKVYKLDAMTOKA-ZDUSSCGKSA-N 1 0 261.390 3.130 10 0 CGAERO C[NH2+][C@H](Cc1cccc(Cl)c1)c1cncc(F)c1 ZINC000049576270 522472992 /nfs/dbraw/zinc/47/29/92/522472992.db2.gz QUBSENMYQJBVMY-CQSZACIVSA-N 1 0 264.731 3.377 10 0 CGAERO C[NH2+][C@H](Cc1csc(C)n1)c1ccc(F)c(F)c1 ZINC000055295026 522475677 /nfs/dbraw/zinc/47/56/77/522475677.db2.gz CJGBIZBDSHKXOK-CYBMUJFWSA-N 1 0 268.332 3.233 10 0 CGAERO CCc1nc2ccccc2n1[C@@H]1CCCC[C@H]1C[NH3+] ZINC000062807347 522506284 /nfs/dbraw/zinc/50/62/84/522506284.db2.gz TZVPHLPQMKUKAH-GXTWGEPZSA-N 1 0 257.381 3.289 10 0 CGAERO CCc1nc2ccccc2n1[C@H]1CCCC[C@@H]1C[NH3+] ZINC000062807346 522507431 /nfs/dbraw/zinc/50/74/31/522507431.db2.gz TZVPHLPQMKUKAH-OCCSQVGLSA-N 1 0 257.381 3.289 10 0 CGAERO COc1cc(Cl)c(C)cc1N1CC[C@@H](C[NH2+]C2CC2)C1 ZINC000053011880 522508835 /nfs/dbraw/zinc/50/88/35/522508835.db2.gz YBSYPQQQYPTQSS-LBPRGKRZSA-N 1 0 294.826 3.235 10 0 CGAERO CC[C@@H]([NH3+])Cc1nc(-c2cc(F)ccc2F)cs1 ZINC000054184352 522645023 /nfs/dbraw/zinc/64/50/23/522645023.db2.gz AVGOOAGJMDMOEX-SECBINFHSA-N 1 0 268.332 3.368 10 0 CGAERO CCc1oc2ccccc2c1[C@@H]([NH3+])C1CCOCC1 ZINC000061876854 523009612 /nfs/dbraw/zinc/00/96/12/523009612.db2.gz RXFWTAUODPLNKE-INIZCTEOSA-N 1 0 259.349 3.422 10 0 CGAERO CC[C@H]1CC[C@H]([NH3+])[C@H](Oc2cccc(F)c2F)C1 ZINC000062614174 523205358 /nfs/dbraw/zinc/20/53/58/523205358.db2.gz HIHCDKYZHYMUHU-XHVZSJERSA-N 1 0 255.308 3.250 10 0 CGAERO COc1ccc(Br)cc1CCC[NH2+]C1CC1 ZINC000052949443 523494232 /nfs/dbraw/zinc/49/42/32/523494232.db2.gz JORLUNUJCSTDTR-UHFFFAOYSA-N 1 0 284.197 3.142 10 0 CGAERO CN(C(=O)C[C@H]1CCC[C@@H]([NH3+])C1)C1CCCCCC1 ZINC000055130157 523846613 /nfs/dbraw/zinc/84/66/13/523846613.db2.gz KGUZHVSSZLFMTC-UONOGXRCSA-N 1 0 266.429 3.075 10 0 CGAERO COCC[NH2+]C[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000054598589 523941743 /nfs/dbraw/zinc/94/17/43/523941743.db2.gz UICFSBCIUFHTJL-WCQYABFASA-N 1 0 273.298 3.045 10 0 CGAERO CN1c2ccc([C@H]([NH3+])C3CCCCC3)cc2CCC1=O ZINC000058112031 524033203 /nfs/dbraw/zinc/03/32/03/524033203.db2.gz BHHGTLQQUQMTDE-QGZVFWFLSA-N 1 0 272.392 3.176 10 0 CGAERO C[C@H](CCCOCC(F)(F)F)C[NH2+]C(C)(C)C ZINC000052967116 524150742 /nfs/dbraw/zinc/15/07/42/524150742.db2.gz DDSXDNQIZZKYOF-SNVBAGLBSA-N 1 0 255.324 3.370 10 0 CGAERO C[C@@H]1CCC[C@@H]([N@@H+]2CCCN[C@H](Cc3ccccc3)C2)C1 ZINC000062673069 524301266 /nfs/dbraw/zinc/30/12/66/524301266.db2.gz AXTZPBOTFVQPIE-BHIYHBOVSA-N 1 0 286.463 3.472 10 0 CGAERO C[C@H](C[NH2+]C1CC1)Oc1ccccc1C(F)(F)F ZINC000052650305 524478797 /nfs/dbraw/zinc/47/87/97/524478797.db2.gz NYJOENPBLIFBLT-SECBINFHSA-N 1 0 259.271 3.225 10 0 CGAERO Cc1ccc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1 ZINC000188091061 524479203 /nfs/dbraw/zinc/47/92/03/524479203.db2.gz MIXZDWCVNMFEEA-IRXDYDNUSA-N 1 0 287.428 3.264 10 0 CGAERO C[C@@H](CCc1ccco1)n1c(N)[nH+]c2ccccc21 ZINC000049569449 524547131 /nfs/dbraw/zinc/54/71/31/524547131.db2.gz BKSCANAAXQPSLT-NSHDSACASA-N 1 0 255.321 3.405 10 0 CGAERO Cc1ccc(C[C@]2(C[NH2+]CC(C)C)CCOC2)cc1 ZINC000054665935 524687829 /nfs/dbraw/zinc/68/78/29/524687829.db2.gz IAYFSQQVFFYRMO-KRWDZBQOSA-N 1 0 261.409 3.190 10 0 CGAERO Cc1cc(C[NH2+]CC(C)C)nc(-c2ccccc2)n1 ZINC000054832305 524753867 /nfs/dbraw/zinc/75/38/67/524753867.db2.gz HDTYHPPDNGBHRR-UHFFFAOYSA-N 1 0 255.365 3.198 10 0 CGAERO COc1ccccc1[C@H](O)CC[NH2+]C1CCCCC1 ZINC000049854649 524801173 /nfs/dbraw/zinc/80/11/73/524801173.db2.gz GRNSYDQRDWYBJA-OAHLLOKOSA-N 1 0 263.381 3.041 10 0 CGAERO 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275.421 3.218 10 0 CGAERO Cc1ccc(Oc2ccc(Cl)cc2C(N)=[NH2+])cn1 ZINC000052860394 525474934 /nfs/dbraw/zinc/47/49/34/525474934.db2.gz UUAVKIAQNJCHSJ-UHFFFAOYSA-N 1 0 261.712 3.120 10 0 CGAERO Cc1cc([C@H](C[NH3+])N(C)CCC(C)C)ccc1F ZINC000050546281 525536564 /nfs/dbraw/zinc/53/65/64/525536564.db2.gz XQMRCICXHKYHEM-HNNXBMFYSA-N 1 0 252.377 3.112 10 0 CGAERO C[C@H](c1ccsc1)n1c(N)[nH+]c2ccc(F)cc21 ZINC000061365111 526163167 /nfs/dbraw/zinc/16/31/67/526163167.db2.gz FLBFOLYDZAGESB-MRVPVSSYSA-N 1 0 261.325 3.428 10 0 CGAERO c1cc2c(s1)CCc1sc([C@H]3CCC[NH2+]3)nc1-2 ZINC000061326149 526447308 /nfs/dbraw/zinc/44/73/08/526447308.db2.gz QBQZVVUNNMSKDE-SECBINFHSA-N 1 0 262.403 3.395 10 0 CGAERO c1ccc2c(c1)c1ccccc1n2C[C@H]1CC[NH2+]C1 ZINC000051890332 526512379 /nfs/dbraw/zinc/51/23/79/526512379.db2.gz QFURQGVDJWDKRQ-ZDUSSCGKSA-N 1 0 250.345 3.404 10 0 CGAERO Cc1nc(CN2CCC[N@H+](CC(C)(C)C)CC2)cs1 ZINC000157261959 526856268 /nfs/dbraw/zinc/85/62/68/526856268.db2.gz GJFIJGYCNCKZKV-UHFFFAOYSA-N 1 0 281.469 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3.469 10 0 CGAERO CC[C@@H](C(=O)N[C@H](C)c1ccc(C(C)C)cc1)[NH+](C)C ZINC000178198556 529288614 /nfs/dbraw/zinc/28/86/14/529288614.db2.gz CLSPCIYIFLPJIJ-CJNGLKHVSA-N 1 0 276.424 3.327 10 0 CGAERO CC[C@H](CCO)[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000168446120 529331937 /nfs/dbraw/zinc/33/19/37/529331937.db2.gz JYQGCJFCBGIAFK-GDBMZVCRSA-N 1 0 259.349 3.120 10 0 CGAERO CC[C@H](C)[C@@H](C)[N@H+](Cc1nnc(C)n1C1CC1)C1CC1 ZINC000104967204 535825652 /nfs/dbraw/zinc/82/56/52/535825652.db2.gz HRFHYPBPFFUUGZ-NWDGAFQWSA-N 1 0 276.428 3.320 10 0 CGAERO CC(C)(C)OC(=O)[C@H](C[NH3+])Cc1cccc2ccccc21 ZINC000232498110 570410822 /nfs/dbraw/zinc/41/08/22/570410822.db2.gz KJWZUSOJBVDALE-HNNXBMFYSA-N 1 0 285.387 3.299 10 0 CGAERO Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H](O)C2)c(C)s1 ZINC000217621132 572395292 /nfs/dbraw/zinc/39/52/92/572395292.db2.gz MGYJJYCBQVSLGD-WCFLWFBJSA-N 1 0 253.411 3.319 10 0 CGAERO FC(F)(F)[C@H]1CCC[C@]2(C1)[NH2+]CC1(CCC1)CO2 ZINC000757138259 617782340 /nfs/dbraw/zinc/78/23/40/617782340.db2.gz BHFPMSUOTUTGKU-JQWIXIFHSA-N 1 0 263.303 3.225 10 0 CGAERO C[C@H]([NH2+]C[C@@H](O)C1CC1)c1ccc(C(C)(C)C)cc1 ZINC000071299852 617960315 /nfs/dbraw/zinc/96/03/15/617960315.db2.gz HIHGFSZFWZTNJK-BLLLJJGKSA-N 1 0 261.409 3.406 10 0 CGAERO CCn1cc(C2CC[NH+](CCc3cccs3)CC2)cn1 ZINC000160466034 618062192 /nfs/dbraw/zinc/06/21/92/618062192.db2.gz JMFKIKJCMFTHDR-UHFFFAOYSA-N 1 0 289.448 3.387 10 0 CGAERO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1nccs1 ZINC000309795613 618958452 /nfs/dbraw/zinc/95/84/52/618958452.db2.gz IQGVSYDJNWJEQA-LBPRGKRZSA-N 1 0 261.394 3.076 10 0 CGAERO CC(C)[C@@H](C)[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195184453 619147540 /nfs/dbraw/zinc/14/75/40/619147540.db2.gz MKZLACFVQGGVJJ-CJNGLKHVSA-N 1 0 284.444 3.268 10 0 CGAERO CC(C)[C@H]([NH3+])Cc1nc(CSc2ccc(F)cc2)no1 ZINC000097331175 619298310 /nfs/dbraw/zinc/29/83/10/619298310.db2.gz CVKNJZJWYRPQJV-GFCCVEGCSA-N 1 0 295.383 3.027 10 0 CGAERO C[C@@H](C[NH3+])c1noc(-c2ccc(C(C)(C)C)cc2)n1 ZINC000054158733 619444611 /nfs/dbraw/zinc/44/46/11/619444611.db2.gz ULTVWTALVJHTQS-JTQLQIEISA-N 1 0 259.353 3.096 10 0 CGAERO C[C@@H]1CCC[C@@](C[NH2+]CCc2ccccc2)(N(C)C)C1 ZINC000040668129 620543036 /nfs/dbraw/zinc/54/30/36/620543036.db2.gz GFWMGZBTTQNOMF-SJLPKXTDSA-N 1 0 274.452 3.329 10 0 CGAERO CCn1nc(C)c([C@@H](C)[NH2+]C[C@@H](C)N2CCCCC2)c1C ZINC000045171897 622846764 /nfs/dbraw/zinc/84/67/64/622846764.db2.gz FAXZZDXLVBGZCS-ZIAGYGMSSA-N 1 0 292.471 3.045 10 0 CGAERO CCC[C@H](N)c1nc(C(C)(C)c2ccccc2)no1 ZINC000062772714 623266188 /nfs/dbraw/zinc/26/61/88/623266188.db2.gz IJWVYOORSLSEQL-LBPRGKRZSA-N 1 0 259.353 3.195 10 0 CGAERO Fc1cc(Cl)ccc1-c1nc(C[C@H]2CCC[NH2+]C2)no1 ZINC000063084581 623293889 /nfs/dbraw/zinc/29/38/89/623293889.db2.gz RKDWHVXBZKLIJQ-SECBINFHSA-N 1 0 295.745 3.071 10 0 CGAERO Cc1cc(C)cc(NC(=O)[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089386587 623737857 /nfs/dbraw/zinc/73/78/57/623737857.db2.gz KYRGBVOXQJMDIX-ZFWWWQNUSA-N 1 0 260.381 3.007 10 0 CGAERO C[C@H]([NH2+]CC(=O)N(C)C1CC1)c1ccc(C(C)(C)C)cc1 ZINC000154381921 624266958 /nfs/dbraw/zinc/26/69/58/624266958.db2.gz BDIFIFULBCSVFN-ZDUSSCGKSA-N 1 0 288.435 3.256 10 0 CGAERO CC(=O)Oc1ccc(C[NH2+][C@@H](C)c2ccc(C)o2)cc1 ZINC000182602390 625016418 /nfs/dbraw/zinc/01/64/18/625016418.db2.gz GGCINLVSSDPXMW-LBPRGKRZSA-N 1 0 273.332 3.364 10 0 CGAERO CC(C)[C@@H]1CCC[C@]2(C[NH2+]C[C@H]2C(=O)OC(C)(C)C)C1 ZINC000757183573 630587804 /nfs/dbraw/zinc/58/78/04/630587804.db2.gz DBIGUHAQHQAXIW-JKIFEVAISA-N 1 0 281.440 3.380 10 0 CGAERO CC(C)(C)OC(=O)[C@]1(F)C[C@@H](c2ccccc2)CC[C@H]1[NH3+] ZINC000757183849 630587952 /nfs/dbraw/zinc/58/79/52/630587952.db2.gz SBDDSKVHIVYKLG-VBQJREDUSA-N 1 0 293.382 3.331 10 0 CGAERO CC(C)(C)OC(=O)[C@@]1(F)[C@H]([NH3+])CC(C)(C)CC1(C)C ZINC000757183984 630588023 /nfs/dbraw/zinc/58/80/23/630588023.db2.gz VJYWKIVNMCWIBF-BMIGLBTASA-N 1 0 273.392 3.210 10 0 CGAERO CC(C)Oc1cncc(-c2ccc(F)c(C[NH3+])c2)c1 ZINC000212590936 636391816 /nfs/dbraw/zinc/39/18/16/636391816.db2.gz BDQIREBPYBWKCY-UHFFFAOYSA-N 1 0 260.312 3.134 10 0 CGAERO CC(C)N(C)c1ccc(NC[C@@H]2CCC[NH2+]C2)cc1F ZINC000130905604 636527110 /nfs/dbraw/zinc/52/71/10/636527110.db2.gz LZKBVIYZWNOUIF-CYBMUJFWSA-N 1 0 279.403 3.082 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)C1CCC1 ZINC000132045150 636777858 /nfs/dbraw/zinc/77/78/58/636777858.db2.gz CIZBGORKEOJZHP-NWANDNLSSA-N 1 0 296.455 3.458 10 0 CGAERO CC(C)[C@H]([NH3+])CC(=O)Nc1ccccc1SC(F)F ZINC000136295798 637307249 /nfs/dbraw/zinc/30/72/49/637307249.db2.gz HFCKHBZZQDBTAD-SECBINFHSA-N 1 0 288.363 3.313 10 0 CGAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000300593735 637845789 /nfs/dbraw/zinc/84/57/89/637845789.db2.gz ZFJHZNGUFMSSLU-DDTOSNHZSA-N 1 0 298.224 3.261 10 0 CGAERO Cc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C[NH3+])c(C)c1 ZINC000089386384 640643153 /nfs/dbraw/zinc/64/31/53/640643153.db2.gz AXSRYUZUUMUFCV-KGLIPLIRSA-N 1 0 260.381 3.007 10 0 CGAERO [NH3+]C[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000089386421 640643620 /nfs/dbraw/zinc/64/36/20/640643620.db2.gz FVPUVVIULZVEFG-GXFFZTMASA-N 1 0 266.772 3.044 10 0 CGAERO O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000250856871 640818023 /nfs/dbraw/zinc/81/80/23/640818023.db2.gz POAJNBZZXNBYJQ-DGADGQDISA-N 1 0 251.414 3.238 10 0 CGAERO Cc1cc([C@H](C)NC(=O)[C@H]2CCCC[C@H]2C[NH3+])c(C)s1 ZINC000251076918 640820478 /nfs/dbraw/zinc/82/04/78/640820478.db2.gz MLINOFTWWODNIM-UBHSHLNASA-N 1 0 294.464 3.307 10 0 CGAERO CO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000251113507 640821532 /nfs/dbraw/zinc/82/15/32/640821532.db2.gz CPLNXUAERRNLDP-IJEWVQPXSA-N 1 0 275.392 3.446 10 0 CGAERO O[C@@H]1CCCC[C@@H]1[C@H]1CCC[N@@H+]1C/C(Cl)=C\Cl ZINC000253099739 640870989 /nfs/dbraw/zinc/87/09/89/640870989.db2.gz VLTWSEWYLWRWFH-NFACVGDVSA-N 1 0 278.223 3.321 10 0 CGAERO C[C@H]([NH2+]C/C=C\Cl)c1ccccc1-n1cccn1 ZINC000588382577 926730794 /nfs/dbraw/zinc/73/07/94/926730794.db2.gz UKKAGEUUAHQZBK-LDJOOVGUSA-N 1 0 261.756 3.275 10 0 CGAERO COCc1nc(CSc2ccc(C)cc2)sc1C[NH3+] ZINC000082445759 178022359 /nfs/dbraw/zinc/02/23/59/178022359.db2.gz GNKXTSLETGUQEM-UHFFFAOYSA-N 1 0 294.445 3.349 10 0 CGAERO COCc1nc(-c2ccc(Cl)cc2)sc1C[NH3+] ZINC000082445319 178021894 /nfs/dbraw/zinc/02/18/94/178021894.db2.gz VUUSMIHLSLZLTN-UHFFFAOYSA-N 1 0 268.769 3.069 10 0 CGAERO CC[NH2+]Cc1sc([C@H]2CCCO2)nc1C(C)(C)C ZINC000082440107 178018561 /nfs/dbraw/zinc/01/85/61/178018561.db2.gz CYLGCCBWYRDVHW-SNVBAGLBSA-N 1 0 268.426 3.402 10 0 CGAERO CCc1ccc(-c2nc(COC)c(C[NH2+]C)s2)cc1 ZINC000082446513 178024075 /nfs/dbraw/zinc/02/40/75/178024075.db2.gz SPBLHCSRDYTTOW-UHFFFAOYSA-N 1 0 276.405 3.238 10 0 CGAERO Cc1cccc2c1CN(Cc1ccccc1)[C@H]2C[NH3+] ZINC000082700434 178203283 /nfs/dbraw/zinc/20/32/83/178203283.db2.gz WDRQZXSYSHVNNY-KRWDZBQOSA-N 1 0 252.361 3.011 10 0 CGAERO CN(Cc1ccccc1)c1[nH+]ccc2cc(N)ccc21 ZINC000082753911 178277329 /nfs/dbraw/zinc/27/73/29/178277329.db2.gz WDLCJSWYILOULO-UHFFFAOYSA-N 1 0 263.344 3.453 10 0 CGAERO c1ccc(-c2nn(-c3ccccc3)c3c2C[NH2+]CC3)cc1 ZINC000082810920 178312928 /nfs/dbraw/zinc/31/29/28/178312928.db2.gz XXSOFVAYFCNVEZ-UHFFFAOYSA-N 1 0 275.355 3.185 10 0 CGAERO CC(C)c1nn(Cc2ccccc2)c2c1[C@H]([NH3+])CCC2 ZINC000082826351 178323509 /nfs/dbraw/zinc/32/35/09/178323509.db2.gz QLFLSHYORBJCFW-CQSZACIVSA-N 1 0 269.392 3.391 10 0 CGAERO Cc1ccc(Br)cc1C[C@H]1CCC[NH2+]1 ZINC000083255787 178371757 /nfs/dbraw/zinc/37/17/57/178371757.db2.gz BUOADZKCVKANDW-GFCCVEGCSA-N 1 0 254.171 3.052 10 0 CGAERO C[NH2+][C@H](C(C)C)[C@@H](O)c1ccc(SC(C)C)cc1 ZINC000096891061 185124736 /nfs/dbraw/zinc/12/47/36/185124736.db2.gz NHFWCCHEDBQJRP-CABCVRRESA-N 1 0 267.438 3.465 10 0 CGAERO CC(C)COc1ccc([C@@H](C)[NH2+]CCC2OCCO2)cc1 ZINC000125514833 187189178 /nfs/dbraw/zinc/18/91/78/187189178.db2.gz JMRYMGCYYQXUHE-CQSZACIVSA-N 1 0 293.407 3.135 10 0 CGAERO Cc1[nH+]ccc(N[C@@H]2CCCCC[C@H]2O)c1Cl ZINC000310562265 282190857 /nfs/dbraw/zinc/19/08/57/282190857.db2.gz WCZJODSNBOLLAY-ZYHUDNBSSA-N 1 0 254.761 3.149 10 0 CGAERO CCC(F)(F)C(C)(C)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000623417133 349803945 /nfs/dbraw/zinc/80/39/45/349803945.db2.gz UINWDTBBVPXLDV-SNVBAGLBSA-N 1 0 251.361 3.055 10 0 CGAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623427633 349806062 /nfs/dbraw/zinc/80/60/62/349806062.db2.gz GWRACZSNZVNXAU-MNOVXSKESA-N 1 0 293.354 3.408 10 0 CGAERO Cc1cc(C[NH2+][C@H](C)COCc2ccccc2)ccn1 ZINC000623433131 349808904 /nfs/dbraw/zinc/80/89/04/349808904.db2.gz AVTCGIQIWBAQTD-OAHLLOKOSA-N 1 0 270.376 3.085 10 0 CGAERO CCO[C@@H](c1ccc(Cl)cc1)C1=[NH+]CCCCN1 ZINC000002010300 344857406 /nfs/dbraw/zinc/85/74/06/344857406.db2.gz OOABKCSOFUFBLV-ZDUSSCGKSA-N 1 0 266.772 3.200 10 0 CGAERO CCC[N@@H+]1CC[C@@H](OC(=O)Nc2c(C)cccc2C)C1 ZINC000002010857 344857445 /nfs/dbraw/zinc/85/74/45/344857445.db2.gz BNQKBUOGDLGSFJ-CQSZACIVSA-N 1 0 276.380 3.336 10 0 CGAERO O[C@@H](c1ccccc1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000013805355 344880876 /nfs/dbraw/zinc/88/08/76/344880876.db2.gz QISANSXOEYOYNO-IBGZPJMESA-N 1 0 297.398 3.243 10 0 CGAERO C[NH+](C)CCN1c2ccccc2COc2ccccc21 ZINC000032209704 344930667 /nfs/dbraw/zinc/93/06/67/344930667.db2.gz HJJFCMIGCFUTPO-UHFFFAOYSA-N 1 0 268.360 3.279 10 0 CGAERO COc1ccc(-c2cc(-c3ccc(C[NH3+])cc3)[nH]n2)cc1 ZINC000033963114 344937304 /nfs/dbraw/zinc/93/73/04/344937304.db2.gz ZRUAWBQUUACGII-UHFFFAOYSA-N 1 0 279.343 3.211 10 0 CGAERO CC(C)[NH2+]CCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000037618739 344952184 /nfs/dbraw/zinc/95/21/84/344952184.db2.gz PYJDEEVILRVLQQ-AWEZNQCLSA-N 1 0 288.435 3.131 10 0 CGAERO O=C(CCC1CC[NH2+]CC1)c1ccc2c(c1)CCCN2 ZINC000038526886 344955613 /nfs/dbraw/zinc/95/56/13/344955613.db2.gz HPYYHYMOWGRLLS-UHFFFAOYSA-N 1 0 272.392 3.007 10 0 CGAERO C[C@@]12CCC(=O)C=C1CC[N@H+](Cc1ccccc1)C2 ZINC000039021766 344957164 /nfs/dbraw/zinc/95/71/64/344957164.db2.gz LNBWHZNWSJJWFX-KRWDZBQOSA-N 1 0 255.361 3.188 10 0 CGAERO Cc1ccc(-c2cc(F)cc3c2O[C@@H](C[NH3+])C3)cc1 ZINC000034547282 344940193 /nfs/dbraw/zinc/94/01/93/344940193.db2.gz YIPPVIDFBGVPGL-CQSZACIVSA-N 1 0 257.308 3.063 10 0 CGAERO Cn1cccc1C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000050595617 345084101 /nfs/dbraw/zinc/08/41/01/345084101.db2.gz AHADTZZWTVNAKS-NWDGAFQWSA-N 1 0 260.303 3.236 10 0 CGAERO C[NH2+][C@H](C)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000052395711 345102822 /nfs/dbraw/zinc/10/28/22/345102822.db2.gz YFPMHQJBJHERSI-GFCCVEGCSA-N 1 0 270.332 3.025 10 0 CGAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1cc(Cl)cc(Cl)c1 ZINC000054305601 345132245 /nfs/dbraw/zinc/13/22/45/345132245.db2.gz MANIRHVBLWFIFL-SECBINFHSA-N 1 0 287.190 3.322 10 0 CGAERO [NH3+][C@H](Cc1ccccc1)[C@H](O)c1ccc2ccccc2c1 ZINC000054686107 345137836 /nfs/dbraw/zinc/13/78/36/345137836.db2.gz VEJQVIHLWWZFCT-RTBURBONSA-N 1 0 277.367 3.443 10 0 CGAERO CC(C)C[C@@H]([NH3+])[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000054929552 345140650 /nfs/dbraw/zinc/14/06/50/345140650.db2.gz RRXHMSCZFXCZLC-VXGBXAGGSA-N 1 0 262.180 3.400 10 0 CGAERO Cc1cnn(CC[NH2+][C@H](C)CCc2cccc(C)c2)c1 ZINC000123926596 232187535 /nfs/dbraw/zinc/18/75/35/232187535.db2.gz UOXYTDRPMFIQCF-MRXNPFEDSA-N 1 0 271.408 3.111 10 0 CGAERO C[NH2+][C@H]1CC[C@@H](Cc2ccc(Br)s2)C1 ZINC000070744292 345394790 /nfs/dbraw/zinc/39/47/90/345394790.db2.gz MAQANFBXIGZVPQ-BDAKNGLRSA-N 1 0 274.227 3.441 10 0 CGAERO Cc1ccc(N2CCCC2=[NH2+])cc1Br ZINC000070994029 345400135 /nfs/dbraw/zinc/40/01/35/345400135.db2.gz DKVPIPWNWMOOLN-UHFFFAOYSA-N 1 0 253.143 3.335 10 0 CGAERO Cc1ccc(NC(=O)N[C@H](CC(C)C)C[NH+](C)C)s1 ZINC000075410004 345507611 /nfs/dbraw/zinc/50/76/11/345507611.db2.gz WMOHNSSOSIYYRZ-GFCCVEGCSA-N 1 0 283.441 3.154 10 0 CGAERO CC[C@@H](COC)[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000079711313 345652757 /nfs/dbraw/zinc/65/27/57/345652757.db2.gz SYOAXGYVENELTR-GARJFASQSA-N 1 0 253.308 3.122 10 0 CGAERO Nc1ccc([C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1F ZINC000116483577 345978042 /nfs/dbraw/zinc/97/80/42/345978042.db2.gz ZAJJZKNBZLXIOI-OAHLLOKOSA-N 1 0 270.351 3.397 10 0 CGAERO c1ccc([C@@H]2CC[NH2+]CCN2c2ccccc2)cc1 ZINC000117609770 345984815 /nfs/dbraw/zinc/98/48/15/345984815.db2.gz QAPVSMOEYHFZFI-KRWDZBQOSA-N 1 0 252.361 3.228 10 0 CGAERO c1ccc([C@@H]2C[NH2+]CCCN2c2ccccc2)cc1 ZINC000117610456 345984841 /nfs/dbraw/zinc/98/48/41/345984841.db2.gz LNWQDUDTLBLRKX-KRWDZBQOSA-N 1 0 252.361 3.228 10 0 CGAERO COC(=O)c1cc(C2CC[NH2+]CC2)cc2ccccc21 ZINC000118172041 345986886 /nfs/dbraw/zinc/98/68/86/345986886.db2.gz LUMDYHJEBPJVPL-UHFFFAOYSA-N 1 0 269.344 3.093 10 0 CGAERO Clc1ccc(C[C@@H]2CCC[NH2+]2)cc1Br ZINC000134340956 346080825 /nfs/dbraw/zinc/08/08/25/346080825.db2.gz FMLXDKOJZOEPCO-VIFPVBQESA-N 1 0 274.589 3.397 10 0 CGAERO C/C(=C/C[NH3+])c1ccc(Br)cc1Cl ZINC000135060471 346085969 /nfs/dbraw/zinc/08/59/69/346085969.db2.gz LDCYXKOHUYVQBO-DAXSKMNVSA-N 1 0 260.562 3.465 10 0 CGAERO CCN1CCO[C@@H](C[NH2+]C2CCC(C(C)(C)CC)CC2)C1 ZINC000135179117 346086347 /nfs/dbraw/zinc/08/63/47/346086347.db2.gz VBESDEOCBJOWJT-JCYILVPMSA-N 1 0 296.499 3.292 10 0 CGAERO c1ccc(CNC2=[NH+]CC3(CCCC3)CS2)cc1 ZINC000135114534 346086528 /nfs/dbraw/zinc/08/65/28/346086528.db2.gz QJOCOPCINQOPOL-UHFFFAOYSA-N 1 0 260.406 3.439 10 0 CGAERO CC1(C)Cc2cccc(C[NH2+][C@@H]3CCCCC[C@H]3O)c2O1 ZINC000135652915 346088337 /nfs/dbraw/zinc/08/83/37/346088337.db2.gz PWGINYFGSZIFLM-HZPDHXFCSA-N 1 0 289.419 3.183 10 0 CGAERO Brc1ccc2c(c1)CN1CCCCC1=[NH+]2 ZINC000139276714 346100030 /nfs/dbraw/zinc/10/00/30/346100030.db2.gz PYHQPFKKNIWUCF-UHFFFAOYSA-N 1 0 265.154 3.479 10 0 CGAERO Cc1cc2ccccc2nc1N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000131037758 346062590 /nfs/dbraw/zinc/06/25/90/346062590.db2.gz IAODJBOPUULVFN-XHSDSOJGSA-N 1 0 281.403 3.107 10 0 CGAERO [NH3+][C@H](Cc1ccoc1)c1ccc(Br)s1 ZINC000131245776 346064528 /nfs/dbraw/zinc/06/45/28/346064528.db2.gz GUZLAQJZOFYUMY-MRVPVSSYSA-N 1 0 272.167 3.346 10 0 CGAERO C[C@H]([NH2+][C@H]1CC1(C)C)c1ccc(Br)o1 ZINC000131686765 346066525 /nfs/dbraw/zinc/06/65/25/346066525.db2.gz SBQGDZAWUQAYEK-CBAPKCEASA-N 1 0 258.159 3.491 10 0 CGAERO Cc1ccc([C@@H]2[NH2+][C@H](C)CS2)cc1Br ZINC000164813293 346182885 /nfs/dbraw/zinc/18/28/85/346182885.db2.gz OBEBWEARSCZRTB-LDYMZIIASA-N 1 0 272.211 3.481 10 0 CGAERO CC[C@H]1CC[C@H](CCc2ccccc2NC=O)[N@H+](C)C1 ZINC000165434684 346183687 /nfs/dbraw/zinc/18/36/87/346183687.db2.gz NZEAMXVHHJRCEN-GOEBONIOSA-N 1 0 274.408 3.308 10 0 CGAERO CCN1CCC[C@@H]([NH2+]Cc2cc(C)cc(Cl)c2)C1 ZINC000339204588 215012634 /nfs/dbraw/zinc/01/26/34/215012634.db2.gz IBJBVLATBHCXNH-OAHLLOKOSA-N 1 0 266.816 3.222 10 0 CGAERO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCSC1 ZINC000224360123 346301559 /nfs/dbraw/zinc/30/15/59/346301559.db2.gz DCZNVERFXUBGBX-AXFHLTTASA-N 1 0 267.360 3.450 10 0 CGAERO [NH3+]C[C@H](CC1(F)CC1)c1ccc(C(F)(F)F)nc1 ZINC000217371712 346290832 /nfs/dbraw/zinc/29/08/32/346290832.db2.gz FKRUTDDXYFGDTD-VIFPVBQESA-N 1 0 262.250 3.035 10 0 CGAERO C[C@@H]([NH3+])C1(Cc2ccc(Br)s2)CC1 ZINC000235168720 346334029 /nfs/dbraw/zinc/33/40/29/346334029.db2.gz YUHPWZMXUUKINI-SSDOTTSWSA-N 1 0 260.200 3.181 10 0 CGAERO C[C@]1(c2cc(Br)cs2)CCC[NH2+]C1 ZINC000229867202 346319256 /nfs/dbraw/zinc/31/92/56/346319256.db2.gz AUZYAPNUYWMXGJ-JTQLQIEISA-N 1 0 260.200 3.152 10 0 CGAERO CCC[C@H]([NH3+])c1ccc(Br)c(OC)c1 ZINC000238245865 346348026 /nfs/dbraw/zinc/34/80/26/346348026.db2.gz KYMYKAAQVGDPEA-JTQLQIEISA-N 1 0 258.159 3.258 10 0 CGAERO Cc1ccc([C@H]([NH2+][C@@H]2CCCC[C@H]2O)C2CC2)cc1 ZINC000251460847 346388419 /nfs/dbraw/zinc/38/84/19/346388419.db2.gz HEBXUOOWGRHDRC-ZACQAIPSSA-N 1 0 259.393 3.339 10 0 CGAERO O[C@@H]1CCCC[C@H]1[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000250806537 346386624 /nfs/dbraw/zinc/38/66/24/346386624.db2.gz IHMHIAOIVOWGNL-KBAYOESNSA-N 1 0 282.387 3.064 10 0 CGAERO CC(C)C[C@H]([NH3+])c1cc(O)ccc1Br ZINC000306597326 346455856 /nfs/dbraw/zinc/45/58/56/346455856.db2.gz ZNOPEFBGKBWQCF-NSHDSACASA-N 1 0 258.159 3.201 10 0 CGAERO C/C(=C/c1ccc(F)cc1Br)[C@@H](C)[NH3+] ZINC000379487708 346555551 /nfs/dbraw/zinc/55/55/51/346555551.db2.gz YAHXCYXBTXGONZ-GRKOMRHMSA-N 1 0 258.134 3.339 10 0 CGAERO c1ccc(C[N@H+]2C[C@H]3[C@H](COc4ccccc4)[C@H]3C2)cc1 ZINC000584643403 346703241 /nfs/dbraw/zinc/70/32/41/346703241.db2.gz HOKMGJUPUZJUNN-BWTSREIZSA-N 1 0 279.383 3.443 10 0 CGAERO CC1(C)COC(c2ccccc2)([C@H]2CCCC[NH2+]2)OC1 ZINC000584643934 346703421 /nfs/dbraw/zinc/70/34/21/346703421.db2.gz UDJCTXCZLJQJFN-OAHLLOKOSA-N 1 0 275.392 3.055 10 0 CGAERO C[C@@H](N[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccccn1)c1ccccn1 ZINC000584623719 346696654 /nfs/dbraw/zinc/69/66/54/346696654.db2.gz BPTDNJBDVYVZFT-FPCVCCKLSA-N 1 0 298.434 3.255 10 0 CGAERO c1ccc(N2CCC[C@@H]2C[NH2+]C2Cc3ccccc3C2)cc1 ZINC000584629366 346698598 /nfs/dbraw/zinc/69/85/98/346698598.db2.gz QLDLSMBYACRFID-HXUWFJFHSA-N 1 0 292.426 3.412 10 0 CGAERO [NH3+][C@H](c1ccc(F)cc1)[C@H]1CCOc2ccccc21 ZINC000104201329 185928950 /nfs/dbraw/zinc/92/89/50/185928950.db2.gz UNFSVEMAHROMGX-GOEBONIOSA-N 1 0 257.308 3.392 10 0 CGAERO CC(=O)Nc1ccc([C@H]2c3ccccc3CC[N@H+]2C)cc1 ZINC000616589252 348837533 /nfs/dbraw/zinc/83/75/33/348837533.db2.gz XNTMKWDXCPADNA-SFHVURJKSA-N 1 0 280.371 3.222 10 0 CGAERO OCc1ccccc1[C@H]1CC[N@H+](Cc2ccccc2)CCO1 ZINC000616592563 348838307 /nfs/dbraw/zinc/83/83/07/348838307.db2.gz BZFMLHIKNKJZNU-LJQANCHMSA-N 1 0 297.398 3.143 10 0 CGAERO [NH3+]CCN1c2ccccc2CC[C@H]1c1ccc(F)cc1 ZINC000616592722 348838452 /nfs/dbraw/zinc/83/84/52/348838452.db2.gz GASDUCCVCPCCHA-KRWDZBQOSA-N 1 0 270.351 3.278 10 0 CGAERO CC[N@@H+]1CCO[C@@H](c2cccc3cccnc32)CC1 ZINC000616592574 348838492 /nfs/dbraw/zinc/83/84/92/348838492.db2.gz CEMXJLJGQPMGNC-OAHLLOKOSA-N 1 0 256.349 3.018 10 0 CGAERO CNc1cccc([C@H]2CC[N@@H+](C(C)(C)C)CCO2)c1 ZINC000616595453 348839167 /nfs/dbraw/zinc/83/91/67/348839167.db2.gz MKTNJRYHXVIDTR-OAHLLOKOSA-N 1 0 262.397 3.290 10 0 CGAERO c1ccc(C[N@@H+]2CCO[C@H](c3cccnc3)CC2)cc1 ZINC000616594073 348839195 /nfs/dbraw/zinc/83/91/95/348839195.db2.gz NDEZEPGXMWHRKZ-KRWDZBQOSA-N 1 0 268.360 3.045 10 0 CGAERO CC(C)[N@@H+]1CCOC[C@H](c2cccc3ncccc32)C1 ZINC000616595362 348839367 /nfs/dbraw/zinc/83/93/67/348839367.db2.gz VTQXUZBOPICDBS-CQSZACIVSA-N 1 0 270.376 3.059 10 0 CGAERO CC(C)(C)[N@@H+]1CCCOC[C@H]1c1cc2ccccc2nn1 ZINC000616597852 348839951 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/nfs/dbraw/zinc/84/23/19/348842319.db2.gz VHCLPJHNTGXPGC-MRXNPFEDSA-N 1 0 261.409 3.199 10 0 CGAERO CC[N@@H+]1CCCC[C@@H](c2cnnc3ccccc32)C1 ZINC000616604907 348843288 /nfs/dbraw/zinc/84/32/88/348843288.db2.gz GJVACHKWEWSSDK-CYBMUJFWSA-N 1 0 255.365 3.219 10 0 CGAERO Nc1cc([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)ccn1 ZINC000616609586 348844763 /nfs/dbraw/zinc/84/47/63/348844763.db2.gz CPSGQZLSPZKCFL-MRXNPFEDSA-N 1 0 281.403 3.264 10 0 CGAERO CC(C)(C)[NH+]1CCC(c2cccc(CCO)c2)CC1 ZINC000616619135 348848354 /nfs/dbraw/zinc/84/83/54/348848354.db2.gz FWHHPYCUIAAPNK-UHFFFAOYSA-N 1 0 261.409 3.199 10 0 CGAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCCC[C@@H]1C(C)(C)C ZINC000616626093 348850627 /nfs/dbraw/zinc/85/06/27/348850627.db2.gz QSGROKIMRJNCBH-CYBMUJFWSA-N 1 0 284.444 3.412 10 0 CGAERO CCOC(=O)c1ccc([C@H]2CCC[N@H+](CC)CC2)cc1 ZINC000616628836 348851800 /nfs/dbraw/zinc/85/18/00/348851800.db2.gz PVTBTTNNWHEJIJ-AWEZNQCLSA-N 1 0 275.392 3.453 10 0 CGAERO c1nocc1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000616627810 348851859 /nfs/dbraw/zinc/85/18/59/348851859.db2.gz AREVEIJJALHKTE-HNNXBMFYSA-N 1 0 256.349 3.444 10 0 CGAERO OCC[N@@H+]1CCCCC[C@H]1c1cccc2ncccc21 ZINC000616632319 348852871 /nfs/dbraw/zinc/85/28/71/348852871.db2.gz QUCDTUAPHYGIPM-KRWDZBQOSA-N 1 0 270.376 3.144 10 0 CGAERO CC(C)(C)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000616632380 348853720 /nfs/dbraw/zinc/85/37/20/348853720.db2.gz ICYPXEFKXARMEO-ZDUSSCGKSA-N 1 0 252.789 3.085 10 0 CGAERO CC(C)[N@@H+]1CCCOC[C@H]1c1ccnc2ccccc21 ZINC000616646609 348856119 /nfs/dbraw/zinc/85/61/19/348856119.db2.gz YZEXAMSXGACYLO-KRWDZBQOSA-N 1 0 270.376 3.407 10 0 CGAERO CC(C)[N@@H+]1CCCO[C@@H](c2cccc3ncccc32)C1 ZINC000616652183 348857082 /nfs/dbraw/zinc/85/70/82/348857082.db2.gz DUDSNPJUYUVETJ-QGZVFWFLSA-N 1 0 270.376 3.407 10 0 CGAERO CC(C)(C)[N@@H+]1CCCC[C@@H](c2cccc(C(N)=O)c2)C1 ZINC000616656277 348858125 /nfs/dbraw/zinc/85/81/25/348858125.db2.gz VEDLWEFOQHYCRR-OAHLLOKOSA-N 1 0 274.408 3.154 10 0 CGAERO OCc1cccc([C@H]2CC[N@H+](Cc3ccccc3)CCO2)c1 ZINC000616662109 348859018 /nfs/dbraw/zinc/85/90/18/348859018.db2.gz AKVXODJJOGYNHX-LJQANCHMSA-N 1 0 297.398 3.143 10 0 CGAERO COc1cccc([C@H]2CC[N@@H+](C(C)(C)C)CCO2)c1 ZINC000616666540 348859659 /nfs/dbraw/zinc/85/96/59/348859659.db2.gz XSGYPWXHAGLNMX-OAHLLOKOSA-N 1 0 263.381 3.257 10 0 CGAERO c1ccc(C[N@@H+]2CCO[C@H](c3ccccn3)CC2)cc1 ZINC000616662861 348859937 /nfs/dbraw/zinc/85/99/37/348859937.db2.gz BGZGKGMACAWXHH-KRWDZBQOSA-N 1 0 268.360 3.045 10 0 CGAERO CNc1ccccc1[C@@H]1CCN(CC[NH3+])c2ccccc21 ZINC000616673389 348862507 /nfs/dbraw/zinc/86/25/07/348862507.db2.gz AXDOTOFALSDLQA-AWEZNQCLSA-N 1 0 281.403 3.029 10 0 CGAERO [NH3+]CCN1CC[C@@H](c2cccc(F)c2)c2ccccc21 ZINC000616675052 348863087 /nfs/dbraw/zinc/86/30/87/348863087.db2.gz NGFCZHFXBUZRHE-HNNXBMFYSA-N 1 0 270.351 3.126 10 0 CGAERO CC[N@@H+]1CCc2ccccc2[C@H]1c1cccc(CCO)c1 ZINC000616678740 348864921 /nfs/dbraw/zinc/86/49/21/348864921.db2.gz FQCDLYGRQSZAEM-LJQANCHMSA-N 1 0 281.399 3.189 10 0 CGAERO CC(C)(C)[N@@H+]1CCc2ccccc2[C@H]1c1cnco1 ZINC000616679451 348864992 /nfs/dbraw/zinc/86/49/92/348864992.db2.gz TYNZUZYUQDVRPS-HNNXBMFYSA-N 1 0 256.349 3.421 10 0 CGAERO [NH3+]CCN1CCc2ccccc2[C@H]1c1cccc(Cl)c1 ZINC000616679862 348865668 /nfs/dbraw/zinc/86/56/68/348865668.db2.gz ZMCNZYBDZPSSOX-QGZVFWFLSA-N 1 0 286.806 3.246 10 0 CGAERO CCC(CC)N(CC[NH3+])C(=O)C[C@@H](C)CC(C)(C)C ZINC000104309837 185963318 /nfs/dbraw/zinc/96/33/18/185963318.db2.gz GTSZALUJESQDBU-CYBMUJFWSA-N 1 0 270.461 3.425 10 0 CGAERO C[C@H]([NH2+]C1CC(c2ccccc2F)C1)[C@H]1CCCO1 ZINC000036845066 137874899 /nfs/dbraw/zinc/87/48/99/137874899.db2.gz JZXQQMSOKSWPLX-PIISCBOPSA-N 1 0 263.356 3.229 10 0 CGAERO Cc1ncsc1CN(C)c1ccccc1[C@@H](C)[NH3+] ZINC000104440926 186003487 /nfs/dbraw/zinc/00/34/87/186003487.db2.gz KDIFMRCDQOLCEC-SNVBAGLBSA-N 1 0 261.394 3.108 10 0 CGAERO COc1nc2sccn2c1C[NH2+]CC1(C)CCCC1 ZINC000104437714 186001920 /nfs/dbraw/zinc/00/19/20/186001920.db2.gz ADJHSOZMSOJNTD-UHFFFAOYSA-N 1 0 279.409 3.074 10 0 CGAERO Cc1ncsc1CN(C)c1ccccc1[C@H](C)[NH3+] ZINC000104440929 186003101 /nfs/dbraw/zinc/00/31/01/186003101.db2.gz KDIFMRCDQOLCEC-JTQLQIEISA-N 1 0 261.394 3.108 10 0 CGAERO c1nc(CC[NH2+][C@H]2CSCc3ccccc32)cs1 ZINC000104449861 186006718 /nfs/dbraw/zinc/00/67/18/186006718.db2.gz YBNNFULAXQLDEJ-AWEZNQCLSA-N 1 0 276.430 3.263 10 0 CGAERO O[C@@H]1CCC[NH2+][C@@H]1[C@@H](c1ccccc1)C1CCCCC1 ZINC000090715557 180029582 /nfs/dbraw/zinc/02/95/82/180029582.db2.gz LDUBLCJVDIXHKE-SQNIBIBYSA-N 1 0 273.420 3.463 10 0 CGAERO c1csc(C[NH2+][C@@H]2CCN(CCc3ccccc3)C2)c1 ZINC000040671256 137886242 /nfs/dbraw/zinc/88/62/42/137886242.db2.gz NHWTWTAJIIUBEY-MRXNPFEDSA-N 1 0 286.444 3.155 10 0 CGAERO c1cc(-c2ccc(C[NH2+]C(C3CC3)C3CC3)cc2)n[nH]1 ZINC000040768509 137887328 /nfs/dbraw/zinc/88/73/28/137887328.db2.gz CLTNQENEXGAEDB-UHFFFAOYSA-N 1 0 267.376 3.355 10 0 CGAERO COc1ccc(C(=O)C(C)(C)[NH+]2CCCCC2)cc1 ZINC000091563886 180192422 /nfs/dbraw/zinc/19/24/22/180192422.db2.gz FLQWBSXJUGONDT-UHFFFAOYSA-N 1 0 261.365 3.142 10 0 CGAERO [NH3+]C[C@H]1CC[C@H](Nc2ncc(Cl)cc2Cl)CC1 ZINC000630557939 350853817 /nfs/dbraw/zinc/85/38/17/350853817.db2.gz UYUSMLCBSUCPMN-CZMCAQCFSA-N 1 0 274.195 3.318 10 0 CGAERO COc1ccccc1C[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000122802641 187052425 /nfs/dbraw/zinc/05/24/25/187052425.db2.gz IOVHFSHVHZGFQI-MRXNPFEDSA-N 1 0 299.418 3.383 10 0 CGAERO COc1ccc2oc(C[NH2+][C@@H](C)[C@@H]3CCCO3)cc2c1 ZINC000123198688 187077196 /nfs/dbraw/zinc/07/71/96/187077196.db2.gz NTXOCTOTEUMOII-NHYWBVRUSA-N 1 0 275.348 3.099 10 0 CGAERO CC(C)Oc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2CO)cc1 ZINC000152347007 188012121 /nfs/dbraw/zinc/01/21/21/188012121.db2.gz NEIWZJGFQCESSA-NVXWUHKLSA-N 1 0 277.408 3.115 10 0 CGAERO CCCOc1ccc([C@@H](C)[NH2+]Cc2cn(C)nc2C)cc1 ZINC000157704650 188333285 /nfs/dbraw/zinc/33/32/85/188333285.db2.gz HKWRETSNSPWSQG-CYBMUJFWSA-N 1 0 287.407 3.368 10 0 CGAERO O[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000053156009 137919130 /nfs/dbraw/zinc/91/91/30/137919130.db2.gz IPTJXPNYQKMACN-UONOGXRCSA-N 1 0 253.773 3.123 10 0 CGAERO CC(C)[C@@H]1C[NH2+][C@H](C)CN1c1cccc(Cl)c1 ZINC000083394386 535264598 /nfs/dbraw/zinc/26/45/98/535264598.db2.gz OOWLGBHBYJQZMC-RISCZKNCSA-N 1 0 252.789 3.163 10 0 CGAERO CC1(C)[C@H]([NH2+]C2CC(c3ccccc3)C2)[C@@H]2CCO[C@H]21 ZINC000272809563 191926477 /nfs/dbraw/zinc/92/64/77/191926477.db2.gz AJUDGUDMILAAMW-IRKLFDGPSA-N 1 0 271.404 3.336 10 0 CGAERO C[C@H]1C[C@H](C(=O)N(C)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC000336330601 213175529 /nfs/dbraw/zinc/17/55/29/213175529.db2.gz BBCSGWJIVAQLPC-KBPBESRZSA-N 1 0 280.456 3.001 10 0 CGAERO Cc1ccc2cc(C[NH2+][C@@H](C)[C@@H]3CCCO3)ccc2n1 ZINC000097861346 138349013 /nfs/dbraw/zinc/34/90/13/138349013.db2.gz ZPTVHQCHCXPBRC-GUYCJALGSA-N 1 0 270.376 3.200 10 0 CGAERO Cc1cc(C)cc(C(=O)Nc2cccc3c2C[NH2+]CC3)c1 ZINC000123531618 138367896 /nfs/dbraw/zinc/36/78/96/138367896.db2.gz MVZVOENCERSAOU-UHFFFAOYSA-N 1 0 280.371 3.201 10 0 CGAERO C[C@](O)(C[N@@H+]1CCC[C@@H]1c1ccco1)c1ccccc1 ZINC000116296194 138365713 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ZINC000262539288 138562869 /nfs/dbraw/zinc/56/28/69/138562869.db2.gz QUUQZMQAZJWQCD-CQSZACIVSA-N 1 0 294.398 3.071 10 0 CGAERO C[C@@H](COCc1ccccc1)[NH2+][C@@H](C)c1nccs1 ZINC000179436624 189194279 /nfs/dbraw/zinc/19/42/79/189194279.db2.gz XSHJJCQEWYEKFF-STQMWFEESA-N 1 0 276.405 3.399 10 0 CGAERO Cc1ccc(F)cc1C[NH+]1CCC(Cn2cccn2)CC1 ZINC000180115975 189237994 /nfs/dbraw/zinc/23/79/94/189237994.db2.gz MIPJLYHVOOJAEM-UHFFFAOYSA-N 1 0 287.382 3.243 10 0 CGAERO C[C@H](CC[NH2+][C@@H](C)c1ccncc1)NC(=O)OC(C)(C)C ZINC000180517133 189259781 /nfs/dbraw/zinc/25/97/81/189259781.db2.gz RGLIEQGQTKOGJU-OLZOCXBDSA-N 1 0 293.411 3.036 10 0 CGAERO Cc1cccc2c(NCC[C@H](O)C(C)C)cc[nH+]c12 ZINC000301649724 201114735 /nfs/dbraw/zinc/11/47/35/201114735.db2.gz FODCYUOETZOQOD-HNNXBMFYSA-N 1 0 258.365 3.362 10 0 CGAERO CC(C)c1nsc(N2CCC([N@@H+]3CCC[C@@H]3C)CC2)n1 ZINC000301780976 201193308 /nfs/dbraw/zinc/19/33/08/201193308.db2.gz NAUIHIAPESJXEZ-LBPRGKRZSA-N 1 0 294.468 3.115 10 0 CGAERO 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3.375 10 0 CGAERO CC(C)[C@H]1C[NH2+]CCN1c1c(Cl)cccc1Cl ZINC000083536553 135027546 /nfs/dbraw/zinc/02/75/46/135027546.db2.gz VPKWHIFCKBTFSD-GFCCVEGCSA-N 1 0 273.207 3.428 10 0 CGAERO CC(C)[C@@H]1C[NH2+]CCN1c1ccc(Cl)c(Cl)c1 ZINC000083536538 135027846 /nfs/dbraw/zinc/02/78/46/135027846.db2.gz DISPBSIYTLPQHW-ZDUSSCGKSA-N 1 0 273.207 3.428 10 0 CGAERO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2Cl)CC[NH2+]1 ZINC000083587599 135030588 /nfs/dbraw/zinc/03/05/88/135030588.db2.gz GDGLPXKXDACPLV-MRVPVSSYSA-N 1 0 278.705 3.157 10 0 CGAERO C[C@H](C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)C(C)(C)C ZINC000670264662 543147254 /nfs/dbraw/zinc/14/72/54/543147254.db2.gz LFGXEQFBHREQBS-IIAWOOMASA-N 1 0 253.430 3.296 10 0 CGAERO CCN(C(=O)C1CCC([NH3+])CC1)[C@@H](C)c1ccc(F)cc1 ZINC000037816038 397609064 /nfs/dbraw/zinc/60/90/64/397609064.db2.gz VUJSOIFVRXRYFT-YGONEPDPSA-N 1 0 292.398 3.253 10 0 CGAERO [NH3+]C1(Cc2sccc2Br)CC=CC1 ZINC000575450999 397713113 /nfs/dbraw/zinc/71/31/13/397713113.db2.gz SRMOFKJPKLHJDO-UHFFFAOYSA-N 1 0 258.184 3.101 10 0 CGAERO CN1CC[C@H]([NH3+])C[C@H]1c1cc(Cl)ccc1Cl ZINC000675054068 543311758 /nfs/dbraw/zinc/31/17/58/543311758.db2.gz LPFBFSFVSGZMKN-CABZTGNLSA-N 1 0 259.180 3.087 10 0 CGAERO CCc1cc(Br)cc2cc(C[NH3+])c(OC)nc21 ZINC000675070507 543313111 /nfs/dbraw/zinc/31/31/11/543313111.db2.gz ZPYHTOQLVGGNMC-UHFFFAOYSA-N 1 0 295.180 3.027 10 0 CGAERO CCCOc1ccc([C@H](C)[NH2+][C@@H]2CN(C)C[C@@H]2C)cc1 ZINC000675789012 543365221 /nfs/dbraw/zinc/36/52/21/543365221.db2.gz QJDGNYBBXUTTNN-GRDNDAEWSA-N 1 0 276.424 3.076 10 0 CGAERO c1ccc(-c2nc(N3CC[NH2+]CC3)cc3ccccc32)cc1 ZINC000033852266 296611332 /nfs/dbraw/zinc/61/13/32/296611332.db2.gz BHHDTFRLKOTSKW-UHFFFAOYSA-N 1 0 289.382 3.311 10 0 in-man CGAERO COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)cc1F ZINC000246974905 286370068 /nfs/dbraw/zinc/37/00/68/286370068.db2.gz IPDSHXYZIPMKEF-YUDUHTQSSA-N 1 0 293.382 3.443 10 0 CGAERO COc1cccc([C@H](C)[NH2+][C@@H]2CCCCC[C@H]2O)c1 ZINC000148294335 286467239 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CCCn1ccc(C[NH2+]CCOc2cccc(C)c2)c1 ZINC000091012979 165249658 /nfs/dbraw/zinc/24/96/58/165249658.db2.gz UEINTVHIQJQAMB-UHFFFAOYSA-N 1 0 272.392 3.375 10 0 CGAERO CCCn1ccc(C[NH2+]C[C@@H](c2ccccc2)N(C)C)c1 ZINC000091009464 165250584 /nfs/dbraw/zinc/25/05/84/165250584.db2.gz NJTKZRPPJKYPOH-SFHVURJKSA-N 1 0 285.435 3.291 10 0 CGAERO C[C@H]([NH2+]CC1CC(O)C1)c1ccc(C(C)(C)C)cc1 ZINC000091425344 287108337 /nfs/dbraw/zinc/10/83/37/287108337.db2.gz MNFZOZCCAOKFMI-FUJMWEONSA-N 1 0 261.409 3.406 10 0 CGAERO OCCC[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1F ZINC000092785190 165313863 /nfs/dbraw/zinc/31/38/63/165313863.db2.gz PVTLGJGRQKUQNW-CYBMUJFWSA-N 1 0 271.763 3.216 10 0 CGAERO Cc1c(C[NH2+][C@H](C)c2cccc(OC(C)C)c2)cnn1C ZINC000093649623 165332375 /nfs/dbraw/zinc/33/23/75/165332375.db2.gz RNNKLDBPHUZLSJ-CYBMUJFWSA-N 1 0 287.407 3.367 10 0 CGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(F)c(Cl)c1 ZINC000094449514 165349655 /nfs/dbraw/zinc/34/96/55/165349655.db2.gz IVHICJIINWLQBO-WCQYABFASA-N 1 0 282.790 3.148 10 0 CGAERO COCCCC[NH2+][C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000178108068 165620156 /nfs/dbraw/zinc/62/01/56/165620156.db2.gz VSKGJWZCDNLFPG-CQSZACIVSA-N 1 0 281.371 3.444 10 0 CGAERO C[C@@H](c1c(F)cccc1F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248369664 287128877 /nfs/dbraw/zinc/12/88/77/287128877.db2.gz WNGHXZNODWLUNX-STQMWFEESA-N 1 0 280.362 3.196 10 0 CGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cccs1)CC2 ZINC000180649860 165661457 /nfs/dbraw/zinc/66/14/57/165661457.db2.gz AMQKEALZRVMZNE-NWDGAFQWSA-N 1 0 290.436 3.129 10 0 CGAERO CC(C)[C@H](c1ccccc1)[N@H+](C)C[C@H](O)COC(C)(C)C ZINC000112731537 287144659 /nfs/dbraw/zinc/14/46/59/287144659.db2.gz UEVMPHWORUGGPT-DLBZAZTESA-N 1 0 293.451 3.492 10 0 CGAERO C[C@@H]1CC[N@H+](Cc2nc(-c3ccccc3F)no2)[C@H]1C ZINC000249304287 165794411 /nfs/dbraw/zinc/79/44/11/165794411.db2.gz CTQJXQNWUXSEGE-MNOVXSKESA-N 1 0 275.327 3.106 10 0 CGAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(F)cc1F ZINC000251848934 165803438 /nfs/dbraw/zinc/80/34/38/165803438.db2.gz RNWMSIDLBXTXOJ-CABCVRRESA-N 1 0 280.362 3.023 10 0 CGAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1cc(F)ccc1F ZINC000252660988 165804671 /nfs/dbraw/zinc/80/46/71/165804671.db2.gz FUOAEKFMTYLDFK-WFASDCNBSA-N 1 0 280.362 3.023 10 0 CGAERO CC(C)CC[C@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)C(C)(C)C ZINC000115849518 287155494 /nfs/dbraw/zinc/15/54/94/287155494.db2.gz DMQIEXUNYJMZNX-CABCVRRESA-N 1 0 297.487 3.183 10 0 CGAERO Cc1ccc([C@@H]([NH3+])Cc2nc3ccccc3[nH]2)cc1 ZINC000005818317 170143618 /nfs/dbraw/zinc/14/36/18/170143618.db2.gz DJBVJDQFMRPQDX-ZDUSSCGKSA-N 1 0 251.333 3.114 10 0 CGAERO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)cc1 ZINC000007092041 170267112 /nfs/dbraw/zinc/26/71/12/170267112.db2.gz PBCJZJVWFWGCLZ-OFQRWUPVSA-N 1 0 274.408 3.490 10 0 CGAERO Cc1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc1C ZINC000007816726 170304082 /nfs/dbraw/zinc/30/40/82/170304082.db2.gz NSDJCPIEOIMXDH-GOSISDBHSA-N 1 0 296.414 3.336 10 0 CGAERO Cc1cc(C)c(NC(=O)[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c(C)c1 ZINC000019482074 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171026947 /nfs/dbraw/zinc/02/69/47/171026947.db2.gz GSRNDLDBIABXAB-ZDUSSCGKSA-N 1 0 256.349 3.331 10 0 CGAERO C[C@@H]1CCCC[C@H]1[NH2+]CCCOCc1ccco1 ZINC000020146976 171033630 /nfs/dbraw/zinc/03/36/30/171033630.db2.gz GMFGQZCYCWPIIR-UKRRQHHQSA-N 1 0 251.370 3.355 10 0 CGAERO c1coc(COCCC[NH2+]Cc2ccsc2)c1 ZINC000020146991 171033821 /nfs/dbraw/zinc/03/38/21/171033821.db2.gz MVAKWTXFQPNPMM-UHFFFAOYSA-N 1 0 251.351 3.038 10 0 CGAERO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1F)[C@@H]1CCCO1 ZINC000020207417 171072431 /nfs/dbraw/zinc/07/24/31/171072431.db2.gz LSHVIUPRZBIIEB-RBZYPMLTSA-N 1 0 255.308 3.183 10 0 CGAERO CN(Cc1ccc(F)cc1)[C@@H](C[NH3+])c1cccs1 ZINC000020225318 171087611 /nfs/dbraw/zinc/08/76/11/171087611.db2.gz ISGHQFRHKSULOH-ZDUSSCGKSA-N 1 0 264.369 3.019 10 0 CGAERO Cc1ccccc1[C@@H](C[NH3+])N1CCc2ccccc2C1 ZINC000020225422 171088256 /nfs/dbraw/zinc/08/82/56/171088256.db2.gz ABZGUABUKNWOAU-GOSISDBHSA-N 1 0 266.388 3.053 10 0 CGAERO Cc1ccc([C@H](C[NH3+])N(C)Cc2ccccc2F)cc1 ZINC000020225546 171088389 /nfs/dbraw/zinc/08/83/89/171088389.db2.gz BKUNQJZKTSACLJ-KRWDZBQOSA-N 1 0 272.367 3.266 10 0 CGAERO CN(Cc1ccc(F)cc1)[C@H](C[NH3+])c1ccccc1F ZINC000020225605 171088510 /nfs/dbraw/zinc/08/85/10/171088510.db2.gz ZGXXRLGXRXALST-MRXNPFEDSA-N 1 0 276.330 3.097 10 0 CGAERO CC(C)Oc1cccc([C@H](C[NH3+])N(C)CC(C)(C)C)c1 ZINC000020226653 171091061 /nfs/dbraw/zinc/09/10/61/171091061.db2.gz BOIKCXLGEOQVCS-INIZCTEOSA-N 1 0 278.440 3.452 10 0 CGAERO COc1ccccc1CN(CCC[NH3+])c1ccc(F)cc1 ZINC000020237283 171096130 /nfs/dbraw/zinc/09/61/30/171096130.db2.gz RUWFFGYVBXEWNV-UHFFFAOYSA-N 1 0 288.366 3.190 10 0 CGAERO COc1ccccc1CN(CCC[NH3+])c1ccc(C)cc1 ZINC000020237094 171096283 /nfs/dbraw/zinc/09/62/83/171096283.db2.gz RQONIKAIMYAWEN-UHFFFAOYSA-N 1 0 284.403 3.359 10 0 CGAERO Cc1ccccc1O[C@H]1CCc2ccccc2[C@H]1[NH3+] ZINC000020262590 171119829 /nfs/dbraw/zinc/11/98/29/171119829.db2.gz CBHALJXQCULYSK-DLBZAZTESA-N 1 0 253.345 3.389 10 0 CGAERO Cc1cccc(O[C@H]2CCc3ccccc3[C@H]2[NH3+])c1 ZINC000020262578 171119988 /nfs/dbraw/zinc/11/99/88/171119988.db2.gz XUKFMTNZIXLJII-DLBZAZTESA-N 1 0 253.345 3.389 10 0 CGAERO [NH3+][C@H]1c2ccccc2CC[C@@H]1Oc1ccc(F)cc1 ZINC000020262596 171120161 /nfs/dbraw/zinc/12/01/61/171120161.db2.gz RWMWXPONCANZIN-HOTGVXAUSA-N 1 0 257.308 3.219 10 0 CGAERO N[C@@H](CC[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC000020273975 171130746 /nfs/dbraw/zinc/13/07/46/171130746.db2.gz FDKVMLFJBNOKIV-HNNXBMFYSA-N 1 0 250.361 3.092 10 0 CGAERO CCCCCNC(=O)[C@H](C)Oc1ccc([C@@H]([NH3+])CC)cc1 ZINC000020419587 171184732 /nfs/dbraw/zinc/18/47/32/171184732.db2.gz NQNRDQMDRCYTAV-BBRMVZONSA-N 1 0 292.423 3.170 10 0 CGAERO Cc1cc([C@@H](C)NC[C@@H](C(C)C)[NH+](C)C)c(C)o1 ZINC000020439191 171202678 /nfs/dbraw/zinc/20/26/78/171202678.db2.gz BRSBHBKXVRWRKE-DOMZBBRYSA-N 1 0 252.402 3.133 10 0 CGAERO COc1ccc(F)cc1[C@H]([NH3+])c1ccc(C)c(C)c1 ZINC000020470588 171212251 /nfs/dbraw/zinc/21/22/51/171212251.db2.gz OLBAKAYSUQVTHK-MRXNPFEDSA-N 1 0 259.324 3.499 10 0 CGAERO [NH3+][C@H](c1cncc(Br)c1)c1ccc(F)cc1F ZINC000020480909 171221947 /nfs/dbraw/zinc/22/19/47/171221947.db2.gz CURJTANOBCDRRG-GFCCVEGCSA-N 1 0 299.118 3.170 10 0 CGAERO CC(C)(C)OC[C@@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000020510725 171230500 /nfs/dbraw/zinc/23/05/00/171230500.db2.gz OWFCSIIOKXOORP-MHCOZEDOSA-N 1 0 251.414 3.345 10 0 CGAERO FC(F)(F)c1ccccc1OCCC[NH2+]C1CC1 ZINC000020525318 171238059 /nfs/dbraw/zinc/23/80/59/171238059.db2.gz UWTBUHUACFZKKP-UHFFFAOYSA-N 1 0 259.271 3.226 10 0 CGAERO CCC(C)(C)C1CCC(C[NH3+])(N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000021012918 171288509 /nfs/dbraw/zinc/28/85/09/171288509.db2.gz MJXQYJNLEZAMQM-RSIVFMTNSA-N 1 0 296.499 3.420 10 0 CGAERO CCC[NH+](CCC)[C@@H](C)C(=O)Nc1ccc(N)cc1C ZINC000022155844 171362672 /nfs/dbraw/zinc/36/26/72/171362672.db2.gz OKABMFACQHKAEV-ZDUSSCGKSA-N 1 0 277.412 3.026 10 0 CGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCCC(=O)Nc1ccccc1N ZINC000022166686 171366175 /nfs/dbraw/zinc/36/61/75/171366175.db2.gz PSKYDYUUYHBLRZ-ZIAGYGMSSA-N 1 0 289.423 3.250 10 0 CGAERO COc1ccc(NC(=O)Nc2cccc([C@@H](C)[NH3+])c2)cc1 ZINC000022169014 171367455 /nfs/dbraw/zinc/36/74/55/171367455.db2.gz ZUHSPGFLQIGVFO-LLVKDONJSA-N 1 0 285.347 3.359 10 0 CGAERO COc1ccc(NC(=O)Nc2ccccc2[C@@H](C)[NH3+])cc1 ZINC000022210818 171373545 /nfs/dbraw/zinc/37/35/45/171373545.db2.gz ZTETVDCXQFNFLL-LLVKDONJSA-N 1 0 285.347 3.359 10 0 CGAERO COc1ccc2cc([C@@H](C[NH3+])N3CCCCC3)ccc2c1 ZINC000022211422 171373612 /nfs/dbraw/zinc/37/36/12/171373612.db2.gz XTECAPWRUJLTJU-GOSISDBHSA-N 1 0 284.403 3.334 10 0 CGAERO C[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000022214952 171375209 /nfs/dbraw/zinc/37/52/09/171375209.db2.gz MGICRJJOWQGSQJ-ZETCQYMHSA-N 1 0 254.127 3.476 10 0 CGAERO [NH3+]Cc1cccnc1Oc1ccc2ccccc2c1 ZINC000022219616 171377307 /nfs/dbraw/zinc/37/73/07/171377307.db2.gz VFHBXRIESMJULJ-UHFFFAOYSA-N 1 0 250.301 3.486 10 0 CGAERO CC[N@H+]([C@H](CN)c1ccccc1OC)C1CCCCC1 ZINC000022222079 171378947 /nfs/dbraw/zinc/37/89/47/171378947.db2.gz DGGBYEDOOBUVQM-MRXNPFEDSA-N 1 0 276.424 3.350 10 0 CGAERO C[C@@H]([C@H]([NH3+])c1ccccc1)n1cnc2ccccc21 ZINC000023069526 171409634 /nfs/dbraw/zinc/40/96/34/171409634.db2.gz IXFKSSFTNIDZJI-LRDDRELGSA-N 1 0 251.333 3.297 10 0 CGAERO CCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000035018785 171936688 /nfs/dbraw/zinc/93/66/88/171936688.db2.gz XYHNYQLUJUIBCS-ZIAGYGMSSA-N 1 0 276.424 3.375 10 0 CGAERO Cc1ccc(Cl)cc1NC(=O)C[NH2+]CCC(C)C ZINC000035159836 172017860 /nfs/dbraw/zinc/01/78/60/172017860.db2.gz RLSXAMRCKKBMNJ-UHFFFAOYSA-N 1 0 268.788 3.223 10 0 CGAERO C[C@H]([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)C1CC1 ZINC000035174499 172027908 /nfs/dbraw/zinc/02/79/08/172027908.db2.gz KYSNHGQREJYEDD-QMMMGPOBSA-N 1 0 287.190 3.320 10 0 CGAERO Cc1ccc([C@H]2C[NH2+]C[C@@H](c3ccccc3)O2)cc1 ZINC000035285501 172103794 /nfs/dbraw/zinc/10/37/94/172103794.db2.gz BLRSZKDQEGRALV-DLBZAZTESA-N 1 0 253.345 3.397 10 0 CGAERO C[C@H]1C[NH+]=C(NC23CC4CC(CC(C4)C2)C3)S1 ZINC000035294405 172106044 /nfs/dbraw/zinc/10/60/44/172106044.db2.gz KGSXHIDYZQSFHZ-BRZBPJHZSA-N 1 0 250.411 3.036 10 0 CGAERO CC(C)[N@H+](Cc1ccccn1)Cc1ccccc1N ZINC000035365753 172156434 /nfs/dbraw/zinc/15/64/34/172156434.db2.gz LEPCKOQHKVYCBT-UHFFFAOYSA-N 1 0 255.365 3.074 10 0 CGAERO COc1ccc([C@H]([NH3+])Cc2ccc(F)cc2)cc1F ZINC000035424239 172192913 /nfs/dbraw/zinc/19/29/13/172192913.db2.gz VQDBXOUKCZKRMC-CQSZACIVSA-N 1 0 263.287 3.216 10 0 CGAERO CCOc1ccc([C@H]([NH2+]C)C(C)C)cc1OCC ZINC000035489226 172224167 /nfs/dbraw/zinc/22/41/67/172224167.db2.gz BEFYLBNRAHCTMJ-OAHLLOKOSA-N 1 0 251.370 3.401 10 0 CGAERO C[NH2+][C@@H](c1ccc2c(c1)CC(=O)N2)C1CCCCC1 ZINC000035495820 172228505 /nfs/dbraw/zinc/22/85/05/172228505.db2.gz LGFYDIYWDVYBRH-MRXNPFEDSA-N 1 0 258.365 3.022 10 0 CGAERO C[NH2+][C@H](c1cc2c(cc1Cl)OCCCO2)C1CC1 ZINC000035501159 172234763 /nfs/dbraw/zinc/23/47/63/172234763.db2.gz GDIGHLWIQMEBMZ-AWEZNQCLSA-N 1 0 267.756 3.172 10 0 CGAERO C[NH2+][C@H](c1cc2c(cc1Cl)OCCO2)C(C)C ZINC000035501338 172235614 /nfs/dbraw/zinc/23/56/14/172235614.db2.gz KQEXTFINMNGECW-ZDUSSCGKSA-N 1 0 255.745 3.028 10 0 CGAERO C[NH2+][C@@H](c1cccs1)c1ccc(OC)c(F)c1 ZINC000035507497 172240307 /nfs/dbraw/zinc/24/03/07/172240307.db2.gz GEMOFEHZTWQYPB-CYBMUJFWSA-N 1 0 251.326 3.205 10 0 CGAERO CC[NH2+][C@H](c1ccc(C)o1)c1ccc2c(c1)CCO2 ZINC000035542144 172249893 /nfs/dbraw/zinc/24/98/93/172249893.db2.gz DWRZMNODCAWLNE-INIZCTEOSA-N 1 0 257.333 3.222 10 0 CGAERO CC[NH2+][C@@H](c1ccoc1)c1ccc2c(c1)C[C@@H](C)O2 ZINC000035570591 172266386 /nfs/dbraw/zinc/26/63/86/172266386.db2.gz TZOLTTOXLWPIOQ-BDJLRTHQSA-N 1 0 257.333 3.302 10 0 CGAERO CC[NH2+][C@@H](c1cc2c(cc1Cl)NC(=O)C2)[C@@H]1C[C@@H]1C ZINC000035572016 172268466 /nfs/dbraw/zinc/26/84/66/172268466.db2.gz DDWDZNTYEBGILV-SVIKCVJRSA-N 1 0 278.783 3.141 10 0 CGAERO CCC[NH2+][C@@H](c1ccc2c(c1)OCCCO2)C1CC1 ZINC000035578045 172274398 /nfs/dbraw/zinc/27/43/98/172274398.db2.gz KTRWMRJGTDIGDQ-MRXNPFEDSA-N 1 0 261.365 3.299 10 0 CGAERO CCC[NH2+][C@@H](c1ccc(OC)cc1OC)C(C)C ZINC000035581451 172278078 /nfs/dbraw/zinc/27/80/78/172278078.db2.gz HYGGNBUTXYGVGA-OAHLLOKOSA-N 1 0 251.370 3.401 10 0 CGAERO CCC[NH2+][C@H](Cc1ccccc1C)c1cnn(C)c1 ZINC000035584217 172283104 /nfs/dbraw/zinc/28/31/04/172283104.db2.gz BJSOPWYTLXCFJC-MRXNPFEDSA-N 1 0 257.381 3.012 10 0 CGAERO CCC[NH2+][C@@H](Cc1ncc[nH]1)c1cc2c(s1)CCC2 ZINC000035586285 172285597 /nfs/dbraw/zinc/28/55/97/172285597.db2.gz HZTHWBOUNVTEEO-LBPRGKRZSA-N 1 0 275.421 3.243 10 0 CGAERO CCCCCNC(=O)[C@@H](C)Oc1ccc(C)cc1[C@H](C)[NH3+] ZINC000035629324 172309042 /nfs/dbraw/zinc/30/90/42/172309042.db2.gz OQWVWLVQISQDCF-UONOGXRCSA-N 1 0 292.423 3.088 10 0 CGAERO C[NH2+][C@@H](C)c1ccccc1NC(=O)c1occc1C ZINC000035643396 172321273 /nfs/dbraw/zinc/32/12/73/172321273.db2.gz OMBSHAFJUBXEDC-NSHDSACASA-N 1 0 258.321 3.121 10 0 CGAERO [NH3+]Cc1cc(Cl)cc(Cl)c1OCC(F)(F)F ZINC000035661840 172339578 /nfs/dbraw/zinc/33/95/78/172339578.db2.gz FPCSDPIUQHHYGK-UHFFFAOYSA-N 1 0 274.069 3.393 10 0 CGAERO C[N@H+](Cc1cccs1)Cc1ccccc1C(N)=S ZINC000035717498 172371651 /nfs/dbraw/zinc/37/16/51/172371651.db2.gz PAUCPIIEXICMNT-UHFFFAOYSA-N 1 0 276.430 3.014 10 0 CGAERO C[C@H]1CCCC[C@]1(C[NH3+])N(C)Cc1ccsc1 ZINC000035719037 172373536 /nfs/dbraw/zinc/37/35/36/172373536.db2.gz RVFWRTDHZLASSZ-GXTWGEPZSA-N 1 0 252.427 3.088 10 0 CGAERO [NH3+]Cc1ccc(Oc2ccc(Br)cc2F)nc1 ZINC000035719864 172374036 /nfs/dbraw/zinc/37/40/36/172374036.db2.gz NWOLSSAVCAGCLJ-UHFFFAOYSA-N 1 0 297.127 3.234 10 0 CGAERO CC(C)(C)SCCOc1ccc(CC[NH3+])cc1 ZINC000035722373 172378375 /nfs/dbraw/zinc/37/83/75/172378375.db2.gz FRJYZCXLIXMYCR-UHFFFAOYSA-N 1 0 253.411 3.098 10 0 CGAERO CC[N@@H+]1CCC[C@@H]([C@@H](C)N[C@@H](C)c2ccco2)C1 ZINC000035738487 172392114 /nfs/dbraw/zinc/39/21/14/172392114.db2.gz ONGFGVCOOBQBQD-HZSPNIEDSA-N 1 0 250.386 3.051 10 0 CGAERO Cc1ccccc1C[N@@H+](C[C@@H](O)COCC(C)C)C(C)C ZINC000036104487 172441658 /nfs/dbraw/zinc/44/16/58/172441658.db2.gz AWYVQXCWMPJGQN-GOSISDBHSA-N 1 0 293.451 3.239 10 0 CGAERO CC(C)(C)[C@H]([NH3+])c1cc2c(cc1Cl)OCCO2 ZINC000036926002 172808665 /nfs/dbraw/zinc/80/86/65/172808665.db2.gz ASUJKMZLJHBZHL-GFCCVEGCSA-N 1 0 255.745 3.157 10 0 CGAERO C[N@H+]([C@H]1CCSC1)C1(CN)CCC(C(C)(C)C)CC1 ZINC000037174596 173009866 /nfs/dbraw/zinc/00/98/66/173009866.db2.gz PFCGIIZJZSWXSM-BBBYJDLNSA-N 1 0 284.513 3.358 10 0 CGAERO CCC[N@H+]([C@@H](C)C(=O)c1ccc(OC)cc1)C1CC1 ZINC000037335367 173136978 /nfs/dbraw/zinc/13/69/78/173136978.db2.gz HRISSNDMXSTTNA-LBPRGKRZSA-N 1 0 261.365 3.141 10 0 CGAERO C[C@@H](C(=O)c1ccc(F)cc1F)[N@@H+](C)[C@@H](C)C1CC1 ZINC000037338808 173140320 /nfs/dbraw/zinc/14/03/20/173140320.db2.gz HTAUGHBIJFDQRG-UWVGGRQHSA-N 1 0 267.319 3.266 10 0 CGAERO [NH3+]Cc1ccccc1Cn1ccc2ccc(F)cc21 ZINC000037368136 173157240 /nfs/dbraw/zinc/15/72/40/173157240.db2.gz NUPJMOLGPNTMBK-UHFFFAOYSA-N 1 0 254.308 3.287 10 0 CGAERO CC(C)[NH2+]CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000037386978 173170745 /nfs/dbraw/zinc/17/07/45/173170745.db2.gz FMOOIXZWZDCJEJ-UHFFFAOYSA-N 1 0 294.704 3.295 10 0 CGAERO Cc1cc(Cl)c(C(C)C)cc1OCCC(N)=[NH2+] ZINC000037429140 173200176 /nfs/dbraw/zinc/20/01/76/173200176.db2.gz HSQOPSIIMKDJQJ-UHFFFAOYSA-N 1 0 254.761 3.477 10 0 CGAERO Clc1ccc2c(c1)nc([C@H]1CCC[NH2+]C1)n2C1CC1 ZINC000037440734 173210081 /nfs/dbraw/zinc/21/00/81/173210081.db2.gz KLGRZLLOPVNSEZ-JTQLQIEISA-N 1 0 275.783 3.492 10 0 CGAERO Cn1c([C@@H]([NH3+])C(C)(C)C)nc2cccc(Cl)c21 ZINC000037443511 173212364 /nfs/dbraw/zinc/21/23/64/173212364.db2.gz MHJCPMBDJIARHW-LLVKDONJSA-N 1 0 251.761 3.273 10 0 CGAERO CCC[NH2+][C@]1(C(=O)OCC)C[C@@H](C)CC[C@@H]1C(C)C ZINC000037513523 173244920 /nfs/dbraw/zinc/24/49/20/173244920.db2.gz CKHZUXSYPONGSL-SQWLQELKSA-N 1 0 269.429 3.380 10 0 CGAERO COc1ccccc1[C@](C)([NH3+])Cc1cccc(F)c1 ZINC000037531546 173253291 /nfs/dbraw/zinc/25/32/91/173253291.db2.gz MVNQVIJROWNZFX-MRXNPFEDSA-N 1 0 259.324 3.251 10 0 CGAERO Cc1ccc(C[C@@]2([NH3+])CCc3ccccc3C2)cc1 ZINC000037531559 173253480 /nfs/dbraw/zinc/25/34/80/173253480.db2.gz FLNQKLUOWKHHGB-SFHVURJKSA-N 1 0 251.373 3.424 10 0 CGAERO CCC[NH2+][C@H](Cc1ccccc1F)C[C@@H]1CCCO1 ZINC000037535282 173254346 /nfs/dbraw/zinc/25/43/46/173254346.db2.gz LGVZHKXJFOTMRE-CABCVRRESA-N 1 0 265.372 3.306 10 0 CGAERO [NH3+]CCc1cc(Cl)ccc1OCc1ccsc1 ZINC000037721074 173639522 /nfs/dbraw/zinc/63/95/22/173639522.db2.gz WLUXFRJWCLRFKM-UHFFFAOYSA-N 1 0 267.781 3.482 10 0 CGAERO COc1ccc(OCc2ccsc2)c(C[C@H](C)[NH3+])c1 ZINC000037722732 173641634 /nfs/dbraw/zinc/64/16/34/173641634.db2.gz NTSUKHCOIBCYGA-NSHDSACASA-N 1 0 277.389 3.225 10 0 CGAERO c1ccc([C@H]([NH2+]C[C@H]2CCCOC2)c2ccncc2)cc1 ZINC000038044702 174052980 /nfs/dbraw/zinc/05/29/80/174052980.db2.gz QVCMLCULNVZITJ-QAPCUYQASA-N 1 0 282.387 3.187 10 0 CGAERO CCCCC1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000038049774 174061240 /nfs/dbraw/zinc/06/12/40/174061240.db2.gz NVVDCMGTPPXRBI-QDIHITRGSA-N 1 0 280.456 3.369 10 0 CGAERO CCC[NH2+]Cc1ccccc1-n1cc(Br)cn1 ZINC000038054636 174065928 /nfs/dbraw/zinc/06/59/28/174065928.db2.gz WOILCTZZQNENEY-UHFFFAOYSA-N 1 0 294.196 3.134 10 0 CGAERO c1ccc2c(c1)SCC[C@@H]2[NH2+]CC[C@@H]1CCCO1 ZINC000038095589 174109199 /nfs/dbraw/zinc/10/91/99/174109199.db2.gz JQJPVDICZCIIGZ-JSGCOSHPSA-N 1 0 263.406 3.382 10 0 CGAERO Cc1ccc([C@H]([NH3+])CN(C)Cc2ccccc2)cc1 ZINC000038137744 174133909 /nfs/dbraw/zinc/13/39/09/174133909.db2.gz TVBICFGSJSWLBL-QGZVFWFLSA-N 1 0 254.377 3.127 10 0 CGAERO CC1CCN([C@@H](C[NH3+])c2ccccc2Cl)CC1 ZINC000038809062 174156289 /nfs/dbraw/zinc/15/62/89/174156289.db2.gz VJNUTBDPTGCBAW-AWEZNQCLSA-N 1 0 252.789 3.072 10 0 CGAERO CC(C)(C)[NH2+]CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000040177441 174202228 /nfs/dbraw/zinc/20/22/28/174202228.db2.gz OLSNWECKRMKBOT-UHFFFAOYSA-N 1 0 295.433 3.198 10 0 CGAERO CC(C)[C@@H](C[NH3+])Cc1cccc(Br)c1 ZINC000041326397 174522901 /nfs/dbraw/zinc/52/29/01/174522901.db2.gz AEFPYBRFRBOYJM-LLVKDONJSA-N 1 0 256.187 3.223 10 0 CGAERO Cc1ncsc1CCO[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000042903769 174906636 /nfs/dbraw/zinc/90/66/36/174906636.db2.gz SAMYNKAYBRGFIC-XHDPSFHLSA-N 1 0 276.405 3.099 10 0 CGAERO CCCCOCCO[C@H](c1ccc(F)cc1)[C@@H](C)[NH3+] ZINC000042916808 174916632 /nfs/dbraw/zinc/91/66/32/174916632.db2.gz PTICOWMSKAQYFF-DOMZBBRYSA-N 1 0 269.360 3.047 10 0 CGAERO [NH3+]C[C@H](OCc1ccco1)c1cccc(Cl)c1 ZINC000043017078 174943693 /nfs/dbraw/zinc/94/36/93/174943693.db2.gz OGUGBABCCWVNNX-ZDUSSCGKSA-N 1 0 251.713 3.150 10 0 CGAERO CC[C@H]([NH3+])[C@@H](Sc1nncn1C)c1cccc(Cl)c1 ZINC000043019138 174944310 /nfs/dbraw/zinc/94/43/10/174944310.db2.gz ZXCPBBPOHFSTBK-RYUDHWBXSA-N 1 0 296.827 3.039 10 0 CGAERO CC[C@H]([NH3+])[C@H](Sc1nncs1)c1cccc(OC)c1 ZINC000043032094 174949230 /nfs/dbraw/zinc/94/92/30/174949230.db2.gz NWKFDEKGQUYYBO-NWDGAFQWSA-N 1 0 295.433 3.117 10 0 CGAERO CCCC[N@H+](C)C[C@H](O)c1ccc(OCCC)cc1 ZINC000044122946 175143064 /nfs/dbraw/zinc/14/30/64/175143064.db2.gz JDOQEVJEEDIMEI-INIZCTEOSA-N 1 0 265.397 3.241 10 0 CGAERO Cc1ccc([C@@H]2C[C@H]([NH3+])CN(C(=O)OC(C)(C)C)C2)cc1 ZINC000044136145 175145967 /nfs/dbraw/zinc/14/59/67/175145967.db2.gz UCLYVEOFKUIMIG-CABCVRRESA-N 1 0 290.407 3.047 10 0 CGAERO COc1ccc(Oc2ccc(CCC[NH3+])cc2)cc1 ZINC000044281255 175158826 /nfs/dbraw/zinc/15/88/26/175158826.db2.gz SZPFBYRSNUAWQI-UHFFFAOYSA-N 1 0 257.333 3.379 10 0 CGAERO C[C@H]([NH3+])Cc1cc(Br)cc(Br)c1 ZINC000044461563 175177648 /nfs/dbraw/zinc/17/76/48/175177648.db2.gz AFWLSQANOKKLNU-LURJTMIESA-N 1 0 293.002 3.101 10 0 CGAERO CCn1cc([C@H](C)[NH2+][C@H]2C[C@@H]2c2ccccc2)cn1 ZINC000044676441 175227210 /nfs/dbraw/zinc/22/72/10/175227210.db2.gz DVZVYILHDLCNOK-MAZHCROVSA-N 1 0 255.365 3.110 10 0 CGAERO Cc1cc(OCc2ccoc2C[NH3+])ccc1Cl ZINC000052648216 175536674 /nfs/dbraw/zinc/53/66/74/175536674.db2.gz TWTHMVXRKGJENM-UHFFFAOYSA-N 1 0 251.713 3.279 10 0 CGAERO CCc1ccc(CN(C)c2cccc(C[NH3+])c2)cc1 ZINC000061951828 175658734 /nfs/dbraw/zinc/65/87/34/175658734.db2.gz LRCQCLFYDPDKCH-UHFFFAOYSA-N 1 0 254.377 3.344 10 0 CGAERO CC(C)(C)c1ccc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000128237550 287306511 /nfs/dbraw/zinc/30/65/11/287306511.db2.gz BUUZJGMVNKJQDD-SJORKVTESA-N 1 0 272.436 3.310 10 0 CGAERO Cc1cccc([C@@H](C[NH3+])Oc2cc(F)ccc2F)c1 ZINC000071167088 176049463 /nfs/dbraw/zinc/04/94/63/176049463.db2.gz FCHSMFWXOHQRSV-OAHLLOKOSA-N 1 0 263.287 3.352 10 0 CGAERO Cc1ncsc1CNC1=[NH+]C[C@H](c2ccccc2)S1 ZINC000071213360 176084891 /nfs/dbraw/zinc/08/48/91/176084891.db2.gz BNLQWOKCHGOZAF-CYBMUJFWSA-N 1 0 289.429 3.385 10 0 CGAERO CC[C@H]([NH2+]Cc1ncccc1C)c1ccc(O)cc1 ZINC000071339275 176129490 /nfs/dbraw/zinc/12/94/90/176129490.db2.gz OJKYJCFQAVOHJE-HNNXBMFYSA-N 1 0 256.349 3.337 10 0 CGAERO C[C@]1(c2ccc(Br)cc2)CCC[NH2+]C1 ZINC000071575410 176202805 /nfs/dbraw/zinc/20/28/05/176202805.db2.gz OERBGXNTAXUGOR-LBPRGKRZSA-N 1 0 254.171 3.090 10 0 CGAERO O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000071577890 176206624 /nfs/dbraw/zinc/20/66/24/176206624.db2.gz XVLYYXLEKCPAEV-NSHDSACASA-N 1 0 257.255 3.030 10 0 CGAERO C[NH2+]C[C@H](OC)c1cc(C(C)(C)C)c(OC)cc1C ZINC000071598038 176221459 /nfs/dbraw/zinc/22/14/59/176221459.db2.gz VFNJBMIKVRLCGF-HNNXBMFYSA-N 1 0 265.397 3.208 10 0 CGAERO CC[NH2+][C@H](C)[C@@H](O)c1cc(C(C)(C)C)ccc1OC ZINC000071597962 176221660 /nfs/dbraw/zinc/22/16/60/176221660.db2.gz YYCAXTZVWSSKLY-IAQYHMDHSA-N 1 0 265.397 3.024 10 0 CGAERO CC(C)[NH2+][C@@H](C)[C@@H](O)c1ccc(OC(C)C)c(F)c1 ZINC000071600651 176226579 /nfs/dbraw/zinc/22/65/79/176226579.db2.gz ARWXGBMPQRSDSX-XHDPSFHLSA-N 1 0 269.360 3.033 10 0 CGAERO CC(C)[NH2+][C@H](C)[C@H](O)c1ccc(OC(C)C)c(F)c1 ZINC000071600650 176226737 /nfs/dbraw/zinc/22/67/37/176226737.db2.gz ARWXGBMPQRSDSX-ABAIWWIYSA-N 1 0 269.360 3.033 10 0 CGAERO Cn1nc(-c2ccccc2)c2c1CC(C)(C)C[C@@H]2[NH3+] ZINC000072415281 176399666 /nfs/dbraw/zinc/39/96/66/176399666.db2.gz OLQKOIFXKINGDF-LBPRGKRZSA-N 1 0 255.365 3.059 10 0 CGAERO CN(C[C@H](CC[NH3+])c1ccccc1)c1ccccc1 ZINC000076658521 177047806 /nfs/dbraw/zinc/04/78/06/177047806.db2.gz CQRGCAWJOSTFHJ-INIZCTEOSA-N 1 0 254.377 3.255 10 0 CGAERO [NH3+]CC[C@H](COc1ccccc1)c1ccccc1F ZINC000076668564 177052545 /nfs/dbraw/zinc/05/25/45/177052545.db2.gz AGBNXYMVTSIKFW-CYBMUJFWSA-N 1 0 259.324 3.337 10 0 CGAERO CCC[C@@H](CC[NH3+])C(=O)Nc1ccc(C)c(Cl)c1 ZINC000076705941 177065337 /nfs/dbraw/zinc/06/53/37/177065337.db2.gz CBPCXSJOWDKPCY-NSHDSACASA-N 1 0 268.788 3.352 10 0 CGAERO CCC[NH2+]CCc1csc(Cc2ccccc2)n1 ZINC000076783389 177091459 /nfs/dbraw/zinc/09/14/59/177091459.db2.gz XNTIGCLCYRFDJC-UHFFFAOYSA-N 1 0 260.406 3.276 10 0 CGAERO CC(C)Oc1ccccc1C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000077204566 177233251 /nfs/dbraw/zinc/23/32/51/177233251.db2.gz AUKIIGRZGKYMJM-HOCLYGCPSA-N 1 0 277.408 3.115 10 0 CGAERO COc1ccc(C[C@@H](C)C[NH2+]C2CC2)cc1Cl ZINC000077607281 177283881 /nfs/dbraw/zinc/28/38/81/177283881.db2.gz ZOQUFQRPTKCGKM-SNVBAGLBSA-N 1 0 253.773 3.279 10 0 CGAERO O[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000311129609 416532344 /nfs/dbraw/zinc/53/23/44/416532344.db2.gz QNMMZCTYRVNPQI-KFWWJZLASA-N 1 0 251.414 3.383 10 0 CGAERO Cc1cnc([C@H](C)[NH2+][C@H](C)Cc2ccsc2)o1 ZINC000680934111 543747631 /nfs/dbraw/zinc/74/76/31/543747631.db2.gz KPUKDYGJLIZWLJ-KOLCDFICSA-N 1 0 250.367 3.326 10 0 CGAERO CC(C)Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC2CC2)cc1 ZINC000130425702 287355154 /nfs/dbraw/zinc/35/51/54/287355154.db2.gz KQIRITRVKIPWBF-ZIAGYGMSSA-N 1 0 288.435 3.203 10 0 CGAERO CCC(C)(C)[C@@H]1CCC(OC)(OC)[C@H](CC[NH3+])C1 ZINC000725261906 544113881 /nfs/dbraw/zinc/11/38/81/544113881.db2.gz NCNJXVXLSBTWRI-CHWSQXEVSA-N 1 0 257.418 3.177 10 0 CGAERO CC(C)C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]1 ZINC000725261706 544114276 /nfs/dbraw/zinc/11/42/76/544114276.db2.gz DBLOOZUQVPPYDO-FRRDWIJNSA-N 1 0 270.417 3.066 10 0 CGAERO CC(C)Cc1ccc([C@H](C)[NH2+]C2CC(CO)C2)cc1 ZINC000658350948 418946548 /nfs/dbraw/zinc/94/65/48/418946548.db2.gz IRZIHKRNNTUYML-KTAKPFMOSA-N 1 0 261.409 3.307 10 0 CGAERO C[C@H]([NH2+]C1CC(CO)C1)c1ccc2ccccc2c1 ZINC000658351164 418946589 /nfs/dbraw/zinc/94/65/89/418946589.db2.gz KOVSTGNLARVFNG-POZPTJLLSA-N 1 0 255.361 3.261 10 0 CGAERO O[C@H]1CCC[C@H](C[NH+]2CCC(C3CCCC3)CC2)C1 ZINC000659959525 419046168 /nfs/dbraw/zinc/04/61/68/419046168.db2.gz KARGMQUNFUIGLP-YOEHRIQHSA-N 1 0 265.441 3.440 10 0 CGAERO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)SC1)c1cncc(F)c1 ZINC000655751244 419086906 /nfs/dbraw/zinc/08/69/06/419086906.db2.gz JPLTYKQRLDOMGE-GIPNMCIBSA-N 1 0 254.374 3.155 10 0 CGAERO CC[C@H](CC(F)F)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000660011685 419062645 /nfs/dbraw/zinc/06/26/45/419062645.db2.gz ILIIEVHSANIERK-UMVBOHGHSA-N 1 0 275.383 3.295 10 0 CGAERO C[C@@H]1CC[C@H]([NH2+][C@H]2CCOc3ccccc32)CS1 ZINC000655683650 419063178 /nfs/dbraw/zinc/06/31/78/419063178.db2.gz UBLQOOGDWGBXOD-DYEKYZERSA-N 1 0 263.406 3.384 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)c1cccs1 ZINC000037167062 270028897 /nfs/dbraw/zinc/02/88/97/270028897.db2.gz AASHIMQGSCYRHO-CHWSQXEVSA-N 1 0 254.443 3.375 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+]C1CC(c2ccccc2)C1 ZINC000037167226 270028934 /nfs/dbraw/zinc/02/89/34/270028934.db2.gz UUNUWLODKNRROD-DAWZGUTISA-N 1 0 274.452 3.499 10 0 CGAERO CCCNC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000045071693 270037747 /nfs/dbraw/zinc/03/77/47/270037747.db2.gz BWCMZEMZYHMXKI-UONOGXRCSA-N 1 0 268.445 3.097 10 0 CGAERO CCN(CC)C[C@@H](C)[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000045692869 270038975 /nfs/dbraw/zinc/03/89/75/270038975.db2.gz CACNKCZCBRBWJF-RDTXWAMCSA-N 1 0 290.451 3.466 10 0 CGAERO CC(C)C[C@H]([NH2+]CC(=O)NC(C)(C)C)c1ccccc1 ZINC000105973707 270047811 /nfs/dbraw/zinc/04/78/11/270047811.db2.gz BBXOPIASWKJETG-HNNXBMFYSA-N 1 0 276.424 3.278 10 0 CGAERO Cc1cc(OCC[N@@H+]2CC[C@@H](CCO)C2)ccc1C(C)C ZINC000227573294 270087443 /nfs/dbraw/zinc/08/74/43/270087443.db2.gz KPDBNVCFGOAOFV-INIZCTEOSA-N 1 0 291.435 3.202 10 0 CGAERO CCN1CCC[C@H]([NH2+][C@H](C)c2cc(C)cc(C)c2)C1 ZINC000250372329 270091375 /nfs/dbraw/zinc/09/13/75/270091375.db2.gz VWHSFZOQFDYOLY-WBVHZDCISA-N 1 0 260.425 3.438 10 0 CGAERO C[C@@H]1CC[C@@H](C[N@@H+]2C[C@@H](c3ccccc3)OCC2(C)C)O1 ZINC000248977567 274311554 /nfs/dbraw/zinc/31/15/54/274311554.db2.gz DTIIOJBFRSBUGD-PVAVHDDUSA-N 1 0 289.419 3.406 10 0 CGAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000251679837 287835791 /nfs/dbraw/zinc/83/57/91/287835791.db2.gz AKTGWPBJHBPEAB-JCOFBHIZSA-N 1 0 266.182 3.434 10 0 CGAERO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[C@@H]2O)CC(C)(C)C1 ZINC000252171658 287839575 /nfs/dbraw/zinc/83/95/75/287839575.db2.gz RGQNRMPCTNXOSJ-KBXIAJHMSA-N 1 0 253.430 3.342 10 0 CGAERO CC(C)c1ccc(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261679258 275733277 /nfs/dbraw/zinc/73/32/77/275733277.db2.gz GMZRHSLRSACSOG-HNNXBMFYSA-N 1 0 274.408 3.009 10 0 CGAERO CC1(C)C[C@@H]([NH2+][C@H]2CCOc3ccccc32)C(C)(C)O1 ZINC000094423475 275862285 /nfs/dbraw/zinc/86/22/85/275862285.db2.gz VPBFYYLBVKTJNI-DZGCQCFKSA-N 1 0 275.392 3.446 10 0 CGAERO CC(C)c1nnc2n1C[C@H]([NH2+]C1[C@@H](C)CCC[C@@H]1C)CC2 ZINC000180516270 276077878 /nfs/dbraw/zinc/07/78/78/276077878.db2.gz AAMLMAGXGCWFRA-MELADBBJSA-N 1 0 290.455 3.131 10 0 CGAERO CCC[C@H]1CCCC[N@@H+]1Cc1ncccc1C(=O)OC ZINC000312196883 276288747 /nfs/dbraw/zinc/28/87/47/276288747.db2.gz AEBRQEQVWBCGSD-ZDUSSCGKSA-N 1 0 276.380 3.023 10 0 CGAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCOc3ccccc32)C1(C)C ZINC000247054021 276355087 /nfs/dbraw/zinc/35/50/87/276355087.db2.gz XCBKFMDNEHUGHA-CWRNSKLLSA-N 1 0 275.392 3.303 10 0 CGAERO C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)cc2)[C@H]1c1ccccc1 ZINC000247984133 277169028 /nfs/dbraw/zinc/16/90/28/277169028.db2.gz HYZYBJCYAXXYFY-DLBZAZTESA-N 1 0 298.361 3.001 10 0 CGAERO CC(C)(C)[NH2+]CCN1CCCC[C@H]1c1nccs1 ZINC000414691584 277172530 /nfs/dbraw/zinc/17/25/30/277172530.db2.gz JTKTWIMDRWNTRQ-LBPRGKRZSA-N 1 0 267.442 3.058 10 0 CGAERO CC(C)(C)SCC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000376763290 277223099 /nfs/dbraw/zinc/22/30/99/277223099.db2.gz DJNUQSSNSNPUPA-ZFWWWQNUSA-N 1 0 271.470 3.145 10 0 CGAERO CC(C)[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1nc2ccccc2[nH]1 ZINC000249084654 277919715 /nfs/dbraw/zinc/91/97/15/277919715.db2.gz IJSSOOPUEVYXDL-XEZPLFJOSA-N 1 0 287.407 3.275 10 0 CGAERO C[C@H](N[C@H]1CCC[NH2+][C@@H]1C)c1cccc(Br)c1 ZINC000396636418 288014665 /nfs/dbraw/zinc/01/46/65/288014665.db2.gz NRVNHCUWBFBPGG-WDMOLILDSA-N 1 0 297.240 3.240 10 0 CGAERO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C)nn2)c(C)c1 ZINC000396712442 288015831 /nfs/dbraw/zinc/01/58/31/288015831.db2.gz MUXSLEKWQCCRDD-AWEZNQCLSA-N 1 0 255.365 3.253 10 0 CGAERO C[C@H](c1c(F)cccc1F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177775485 278305024 /nfs/dbraw/zinc/30/50/24/278305024.db2.gz WNGHXZNODWLUNX-CHWSQXEVSA-N 1 0 280.362 3.196 10 0 CGAERO C[C@@H](N[C@@H](C[NH+](C)C)c1ccccc1)c1ccc(F)cn1 ZINC000092195322 278366345 /nfs/dbraw/zinc/36/63/45/278366345.db2.gz HADURNVDYCQLIU-DYVFJYSZSA-N 1 0 287.382 3.174 10 0 CGAERO CC(C)=CC[NH2+][C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000191615359 278666765 /nfs/dbraw/zinc/66/67/65/278666765.db2.gz UYCAHTYFGRDKPX-KRWDZBQOSA-N 1 0 290.382 3.175 10 0 CGAERO CC(C)CCN(CCC(C)C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089455922 278761949 /nfs/dbraw/zinc/76/19/49/278761949.db2.gz NDBQNVFTWWLQRU-HZPDHXFCSA-N 1 0 282.472 3.282 10 0 CGAERO CCN1CCC[C@H]1C[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000037213858 279336269 /nfs/dbraw/zinc/33/62/69/279336269.db2.gz PAKCVKHWLBUQPM-FUHWJXTLSA-N 1 0 288.435 3.220 10 0 CGAERO COC[C@H](C)[NH2+][C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000131988425 293037592 /nfs/dbraw/zinc/03/75/92/293037592.db2.gz BYYCTEVBSFRSEQ-ZFWWWQNUSA-N 1 0 275.392 3.448 10 0 CGAERO COC[C@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)C1CC1 ZINC000178615121 293158507 /nfs/dbraw/zinc/15/85/07/293158507.db2.gz KKADHPPKTDXLEQ-ROUUACIJSA-N 1 0 282.387 3.186 10 0 CGAERO Cn1ccc(C[NH2+][C@H]2c3ccccc3CCC2(C)C)n1 ZINC000147396226 294345255 /nfs/dbraw/zinc/34/52/55/294345255.db2.gz WZAYBGUWIDHOIN-INIZCTEOSA-N 1 0 269.392 3.223 10 0 CGAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2CO)CC(C)(C)C1 ZINC000300411018 297449081 /nfs/dbraw/zinc/44/90/81/297449081.db2.gz KRTJIRKRWSJXAB-KBXIAJHMSA-N 1 0 253.430 3.342 10 0 CGAERO C[C@H]1[NH2+][C@@H](C)[C@@H](C)N(Cc2ccc(Cl)cc2)[C@@H]1C ZINC000059206764 300578784 /nfs/dbraw/zinc/57/87/84/300578784.db2.gz GZDGWAQBEFNWHE-YVECIDJPSA-N 1 0 266.816 3.299 10 0 CGAERO Cc1cc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)c(C)s1 ZINC000247461188 301276417 /nfs/dbraw/zinc/27/64/17/301276417.db2.gz QUPAEYNKCGUDPQ-ABAIWWIYSA-N 1 0 264.438 3.033 10 0 CGAERO Cc1ccc([C@H](C[NH2+][C@H](C)C(C)C)N2CCOCC2)s1 ZINC000180659503 301799946 /nfs/dbraw/zinc/79/99/46/301799946.db2.gz KYTJWNXMQUKQSN-CABCVRRESA-N 1 0 296.480 3.064 10 0 CGAERO Cc1ccccc1[C@@H]([NH2+][C@H](C)CCO)c1ccccc1 ZINC000132429558 302137041 /nfs/dbraw/zinc/13/70/41/302137041.db2.gz OLYFGYBOYOLBEM-QAPCUYQASA-N 1 0 269.388 3.445 10 0 CGAERO CCc1ccc([C@H](C)[NH2+]C[C@H](O)C(C)(C)C)s1 ZINC000164108637 321899980 /nfs/dbraw/zinc/89/99/80/321899980.db2.gz GXTYIMQJVLXSTR-GWCFXTLKSA-N 1 0 255.427 3.368 10 0 CGAERO C[C@H](Nc1ccc(-c2cnco2)cc1)[C@H]1CCC[NH2+]C1 ZINC000565231761 322068479 /nfs/dbraw/zinc/06/84/79/322068479.db2.gz GLSVGDQYPCQAAU-JSGCOSHPSA-N 1 0 271.364 3.142 10 0 CGAERO CCC[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000037007471 326833791 /nfs/dbraw/zinc/83/37/91/326833791.db2.gz QHGZVHSPRZRJDQ-WFASDCNBSA-N 1 0 276.424 3.289 10 0 CGAERO C[C@H]1C[C@H](c2ccc(C(=O)OC(C)(C)C)cc2)C[NH2+]1 ZINC000536959136 330383888 /nfs/dbraw/zinc/38/38/88/330383888.db2.gz PAHZNDSLHAFTTF-FZMZJTMJSA-N 1 0 261.365 3.107 10 0 CGAERO CCC[C@H](C)C[NH+]1CCN(Cc2cnc(C)s2)CC1 ZINC000180080938 335548428 /nfs/dbraw/zinc/54/84/28/335548428.db2.gz PNAURJJFJRRVKE-ZDUSSCGKSA-N 1 0 281.469 3.005 10 0 CGAERO CCO[C@H]1C[C@H]([NH2+]CC(C(C)C)C(C)C)C12CCOCC2 ZINC000193340174 335967906 /nfs/dbraw/zinc/96/79/06/335967906.db2.gz JJFSTEMQXPLXFD-IRXDYDNUSA-N 1 0 297.483 3.478 10 0 CGAERO CCN(Cc1ccccc1Cl)C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000384248322 336122724 /nfs/dbraw/zinc/12/27/24/336122724.db2.gz LCGKKHZTWGFEEP-GXTWGEPZSA-N 1 0 294.826 3.077 10 0 CGAERO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1cccc2ccccc21 ZINC000384897744 336133736 /nfs/dbraw/zinc/13/37/36/336133736.db2.gz MUVXENWODMXJHY-SUMWQHHRSA-N 1 0 255.361 3.185 10 0 CGAERO CSCC1CCC([NH2+]C[C@H]2CCCC[C@H]2O)CC1 ZINC000385213211 336142251 /nfs/dbraw/zinc/14/22/51/336142251.db2.gz JOENXUWWGYVFCO-HXSCFSKGSA-N 1 0 271.470 3.049 10 0 CGAERO CC[NH2+]CC1(OC[C@@H]2CCCCO2)CCC(C)CC1 ZINC000050490704 519913523 /nfs/dbraw/zinc/91/35/23/519913523.db2.gz BEQHVDHPCFIXDE-PCKAHOCUSA-N 1 0 269.429 3.131 10 0 CGAERO CC[NH2+]CCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000061287355 519917235 /nfs/dbraw/zinc/91/72/35/519917235.db2.gz USCMCRDODNGTGN-UHFFFAOYSA-N 1 0 294.704 3.297 10 0 CGAERO CC[NH2+]Cc1cc(C)nc(-c2ccc(F)c(Cl)c2)n1 ZINC000062793462 519986861 /nfs/dbraw/zinc/98/68/61/519986861.db2.gz VCHIVHPSPPZECO-UHFFFAOYSA-N 1 0 279.746 3.354 10 0 CGAERO CCC[NH2+][C@H](C)c1ccccc1NC(=O)NC1CC1 ZINC000054457033 520066071 /nfs/dbraw/zinc/06/60/71/520066071.db2.gz AONIOAQQQGGFQS-LLVKDONJSA-N 1 0 261.369 3.031 10 0 CGAERO CCCCCN(C)c1ncc(C[NH2+]C(C)C)s1 ZINC000054903055 520153985 /nfs/dbraw/zinc/15/39/85/520153985.db2.gz MTWYJLQAYKMXQX-UHFFFAOYSA-N 1 0 255.431 3.268 10 0 CGAERO C[NH2+]Cc1cc(CO[C@@H]2CCCC[C@@H]2C)oc1C 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ZINC000152350974 534396187 /nfs/dbraw/zinc/39/61/87/534396187.db2.gz MABDNMXVBQEWSK-OCCSQVGLSA-N 1 0 298.224 3.090 10 0 CGAERO CC(C)C[C@@H]1C[NH2+]CCN1Cc1ccc(Cl)cc1 ZINC000062663529 519273988 /nfs/dbraw/zinc/27/39/88/519273988.db2.gz LDKGMCNPPPYVCN-OAHLLOKOSA-N 1 0 266.816 3.160 10 0 CGAERO CC(C)C[C@H]1C[N@H+](C(C)C)[C@H](Cc2ccccc2)CN1 ZINC000062668319 519414880 /nfs/dbraw/zinc/41/48/80/519414880.db2.gz LSRPNNXXHLRJSK-ZWKOTPCHSA-N 1 0 274.452 3.326 10 0 CGAERO CC(C)C[NH2+]C[C@H](C(C)C)N(C)Cc1ccccc1 ZINC000052417377 519745675 /nfs/dbraw/zinc/74/56/75/519745675.db2.gz KZBFLUKXDJNQES-QGZVFWFLSA-N 1 0 262.441 3.389 10 0 CGAERO CC(C)C[NH2+]C[C@H]1CC[C@@H](CO[C@@H](C)CC(C)C)O1 ZINC000052603795 519746518 /nfs/dbraw/zinc/74/65/18/519746518.db2.gz DCDPDHBEWAYDJK-XHSDSOJGSA-N 1 0 271.445 3.231 10 0 CGAERO CC(C)C[C@@H](C[NH+](C)C)Nc1ncccc1Cl ZINC000049558223 519776245 /nfs/dbraw/zinc/77/62/45/519776245.db2.gz GXMWWOSKZTXBJR-NSHDSACASA-N 1 0 255.793 3.123 10 0 CGAERO CC(C)[C@@H](C[NH2+]C1CC1)N(Cc1ccsc1)C1CC1 ZINC000052541898 519794901 /nfs/dbraw/zinc/79/49/01/519794901.db2.gz KMQWPCASUKUSRL-MRXNPFEDSA-N 1 0 278.465 3.489 10 0 CGAERO CC(C)[C@@H]1CC[C@H](N)[C@H]([N@@H+]2CC[C@@H](C)C[C@H]2C)C1 ZINC000054555757 519803300 /nfs/dbraw/zinc/80/33/00/519803300.db2.gz IVNHDQHLNQWJPQ-DGXTUMSLSA-N 1 0 252.446 3.259 10 0 CGAERO CC(C)[C@H]1CN(Cc2cccc(Cl)c2)[C@H](C)C[NH2+]1 ZINC000068694859 519826887 /nfs/dbraw/zinc/82/68/87/519826887.db2.gz VISSCGNNEVIMKX-IUODEOHRSA-N 1 0 266.816 3.158 10 0 CGAERO CC(C)[C@H]1C[N@H+](CCc2ccccc2)[C@@H](C(C)C)CN1 ZINC000062668265 519826982 /nfs/dbraw/zinc/82/69/82/519826982.db2.gz FDVCFFRSUNNWJX-QZTJIDSGSA-N 1 0 274.452 3.184 10 0 CGAERO CC(C)[C@H]1CN(Cc2cccc(Cl)c2)[C@@H](C)C[NH2+]1 ZINC000068694860 519827001 /nfs/dbraw/zinc/82/70/01/519827001.db2.gz VISSCGNNEVIMKX-SWLSCSKDSA-N 1 0 266.816 3.158 10 0 CGAERO CC(C)[C@H]1C[NH2+]CCN1Cc1ccc(C(C)(C)C)cc1 ZINC000062668323 519827157 /nfs/dbraw/zinc/82/71/57/519827157.db2.gz FWCJWVOPINPEPQ-QGZVFWFLSA-N 1 0 274.452 3.414 10 0 CGAERO CCCC1CCN([C@H](C[NH3+])c2cccs2)CC1 ZINC000050892997 519903124 /nfs/dbraw/zinc/90/31/24/519903124.db2.gz HFRACOFFCFWOAX-CYBMUJFWSA-N 1 0 252.427 3.260 10 0 CGAERO CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1cccc(C)c1C ZINC000054626649 519911274 /nfs/dbraw/zinc/91/12/74/519911274.db2.gz ZQAUWKMGIYDQSN-MQVJKMGUSA-N 1 0 258.409 3.413 10 0 CGAERO CCC[NH2+]C[C@H](CCOCC)Cc1ccccc1F ZINC000052979283 519932850 /nfs/dbraw/zinc/93/28/50/519932850.db2.gz RCURYUUXIWMVJN-CQSZACIVSA-N 1 0 267.388 3.411 10 0 CGAERO CC[NH2+]C[C@@H](C)C(=O)N[C@H](CC)c1ccc(Cl)cc1 ZINC000061231569 519939196 /nfs/dbraw/zinc/93/91/96/519939196.db2.gz KZGAYQICQOGQJC-BXUZGUMPSA-N 1 0 282.815 3.153 10 0 CGAERO CCOCCOC1(C[NH2+]C(C)C)CCCCCC1 ZINC000050489400 519976350 /nfs/dbraw/zinc/97/63/50/519976350.db2.gz XQWYXKLRHHKUIS-UHFFFAOYSA-N 1 0 257.418 3.131 10 0 CGAERO CCC[NH2+][C@@H](Cc1cccs1)c1cnn(CC)c1 ZINC000052900837 520013965 /nfs/dbraw/zinc/01/39/65/520013965.db2.gz CEDTXEZQKLMCNS-AWEZNQCLSA-N 1 0 263.410 3.248 10 0 CGAERO CCC[NH2+][C@H](C)c1nc2cc(Cl)ccc2n1C ZINC000062366180 520067630 /nfs/dbraw/zinc/06/76/30/520067630.db2.gz WJFGFUORTJZBHJ-SECBINFHSA-N 1 0 251.761 3.287 10 0 CGAERO CCC[NH2+][C@H](Cc1cnn(C)c1)c1ccc(C)cc1 ZINC000050542554 520086652 /nfs/dbraw/zinc/08/66/52/520086652.db2.gz IONMDPPMNUPXHE-MRXNPFEDSA-N 1 0 257.381 3.012 10 0 CGAERO CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1N(C)CC(C)C ZINC000054554934 520122391 /nfs/dbraw/zinc/12/23/91/520122391.db2.gz YKPKFYMGFZVWIN-XHSDSOJGSA-N 1 0 254.462 3.377 10 0 CGAERO CCCCCN(C)c1nc(CCC)c(C[NH3+])s1 ZINC000054997034 520154685 /nfs/dbraw/zinc/15/46/85/520154685.db2.gz XITMFZVXGKJVSG-UHFFFAOYSA-N 1 0 255.431 3.181 10 0 CGAERO CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1N(C)CC1CC1 ZINC000054555227 520218071 /nfs/dbraw/zinc/21/80/71/520218071.db2.gz FXUZOZMOOUNZJI-PMPSAXMXSA-N 1 0 252.446 3.131 10 0 CGAERO CCNc1cc(CC)[nH+]c2cc(OC)c(OC)cc12 ZINC000050870119 520270990 /nfs/dbraw/zinc/27/09/90/520270990.db2.gz KIVDHCZONWDWSW-UHFFFAOYSA-N 1 0 260.337 3.246 10 0 CGAERO CC1(C)CN(Cc2ccc(Br)cc2)CCC[NH2+]1 ZINC000062710994 520476722 /nfs/dbraw/zinc/47/67/22/520476722.db2.gz RFZQQEQQAQIBAB-UHFFFAOYSA-N 1 0 297.240 3.023 10 0 CGAERO CCCCOCC[C@H](C[NH2+]C)Cc1ccc(F)cc1 ZINC000052974845 520796286 /nfs/dbraw/zinc/79/62/86/520796286.db2.gz KMBORYRKFJVBCN-HNNXBMFYSA-N 1 0 267.388 3.411 10 0 CGAERO CCN(CC[NH2+][C@H](C)C1CC1)c1ccc(F)cc1 ZINC000053426843 521081014 /nfs/dbraw/zinc/08/10/14/521081014.db2.gz WOHHXXTVWQIXIM-GFCCVEGCSA-N 1 0 250.361 3.040 10 0 CGAERO CCOc1ccc(OCC[NH2+]C(C)(C)CC)cc1 ZINC000052684418 521176057 /nfs/dbraw/zinc/17/60/57/521176057.db2.gz VZGJKWIHBPTZSL-UHFFFAOYSA-N 1 0 251.370 3.242 10 0 CGAERO CCOc1ccc(OCc2cc(C[NH3+])c(C)o2)cc1 ZINC000052652305 521180697 /nfs/dbraw/zinc/18/06/97/521180697.db2.gz NWWUOROILBJMJR-UHFFFAOYSA-N 1 0 261.321 3.024 10 0 CGAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+]CCC1=CCCCC1 ZINC000052395987 521342782 /nfs/dbraw/zinc/34/27/82/521342782.db2.gz MPNQNDJUDGCLJA-ZDUSSCGKSA-N 1 0 266.429 3.160 10 0 CGAERO CCC(C)(C)[NH2+]C[C@@H](C)n1ccc(C(F)(F)F)n1 ZINC000053533629 521352911 /nfs/dbraw/zinc/35/29/11/521352911.db2.gz WQSGIWMJXDYHBQ-SECBINFHSA-N 1 0 263.307 3.241 10 0 CGAERO CC[N@@H+]1CCC[C@@H](n2c3ccccc3[nH]c2=S)C1 ZINC000049220095 521626667 /nfs/dbraw/zinc/62/66/67/521626667.db2.gz HRVUMSNUAZVMGU-LLVKDONJSA-N 1 0 261.394 3.356 10 0 CGAERO C[NH2+]C[C@H](C(C)C)N(C)Cc1ccc(Cl)cc1 ZINC000052346263 522064688 /nfs/dbraw/zinc/06/46/88/522064688.db2.gz PWRIJYRLTZIFKR-CQSZACIVSA-N 1 0 254.805 3.016 10 0 CGAERO C[NH2+]C[C@H](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000052952419 522074223 /nfs/dbraw/zinc/07/42/23/522074223.db2.gz KZYPVXAKEYKGEX-MRXNPFEDSA-N 1 0 257.352 3.447 10 0 CGAERO CCc1csc([C@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000103473090 522117564 /nfs/dbraw/zinc/11/75/64/522117564.db2.gz ATQRTLJJUOQPQO-ZDUSSCGKSA-N 1 0 287.432 3.480 10 0 CGAERO C[NH2+]Cc1sc(C(C)(C)c2ccccc2)nc1C ZINC000062773758 522164512 /nfs/dbraw/zinc/16/45/12/522164512.db2.gz IHSKFPFDIABHBQ-UHFFFAOYSA-N 1 0 260.406 3.497 10 0 CGAERO C[NH2+][C@@H](C)c1cnc(N(CC(C)C)C(C)C)s1 ZINC000054909043 522338332 /nfs/dbraw/zinc/33/83/32/522338332.db2.gz FGOIPKHKBLAPHW-NSHDSACASA-N 1 0 255.431 3.294 10 0 CGAERO CC[C@H]([NH3+])Cc1cc(C)nc(-c2ccc(C)cc2)n1 ZINC000054835825 522332942 /nfs/dbraw/zinc/33/29/42/522332942.db2.gz RHZNJZHTZLRLSD-AWEZNQCLSA-N 1 0 255.365 3.040 10 0 CGAERO C[NH2+][C@@H]1CCCCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000055232141 522377682 /nfs/dbraw/zinc/37/76/82/522377682.db2.gz WOEOKXFRMDOUCS-UONOGXRCSA-N 1 0 263.381 3.340 10 0 CGAERO CCc1nc(N2CCC(C)CC2)sc1C[NH2+]C1CC1 ZINC000054995121 522383533 /nfs/dbraw/zinc/38/35/33/522383533.db2.gz YEPRUOWTHGKJHA-UHFFFAOYSA-N 1 0 279.453 3.194 10 0 CGAERO C[NH2+][C@@H]1CCN(c2cc(Br)ccc2C)[C@@H](C)C1 ZINC000049712868 522395975 /nfs/dbraw/zinc/39/59/75/522395975.db2.gz WOJWQMSBQWSXHN-WCQYABFASA-N 1 0 297.240 3.334 10 0 CGAERO CC[C@@H](C[NH2+]C)Oc1ccc(OC)cc1C(C)(C)C ZINC000052651021 522545780 /nfs/dbraw/zinc/54/57/80/522545780.db2.gz HDCMOPAGSSZSHN-LBPRGKRZSA-N 1 0 265.397 3.370 10 0 CGAERO CC[C@@H](C[NH2+]CC(C)C)Oc1ccc(F)c(F)c1 ZINC000052700372 522546984 /nfs/dbraw/zinc/54/69/84/522546984.db2.gz SXJHVKUJHGGUSQ-NSHDSACASA-N 1 0 257.324 3.368 10 0 CGAERO COc1cc(F)c([C@@H]([NH3+])c2sccc2C)cc1OC ZINC000061560280 522584619 /nfs/dbraw/zinc/58/46/19/522584619.db2.gz BWRCLROLWICCFF-CYBMUJFWSA-N 1 0 281.352 3.261 10 0 CGAERO COc1cc(F)c([C@H]([NH3+])CC2CCCC2)cc1OC ZINC000061560531 522588307 /nfs/dbraw/zinc/58/83/07/522588307.db2.gz KXQMDGQNUHLSQY-CYBMUJFWSA-N 1 0 267.344 3.423 10 0 CGAERO CC[C@@H]([NH3+])[C@H](c1ccco1)n1nc(C)c(Cl)c1C ZINC000050586145 522653562 /nfs/dbraw/zinc/65/35/62/522653562.db2.gz YBBDHQBKGHEBQD-ZWNOBZJWSA-N 1 0 267.760 3.073 10 0 CGAERO CC[C@@H](NC(=O)C[C@H](C)C1CC[NH2+]CC1)c1cccs1 ZINC000152493412 522694789 /nfs/dbraw/zinc/69/47/89/522694789.db2.gz DHNPQFNXALXOCG-GXTWGEPZSA-N 1 0 294.464 3.341 10 0 CGAERO CC[C@@H]1CCCCN1c1ncc([C@@H](C)[NH2+]C)s1 ZINC000054902518 523181050 /nfs/dbraw/zinc/18/10/50/523181050.db2.gz LKXLGNOAEAXSEW-GHMZBOCLSA-N 1 0 253.415 3.192 10 0 CGAERO CC[C@@H]1CCCN(c2nc3c(s2)[C@H]([NH3+])CCC3)C1 ZINC000054895765 523254381 /nfs/dbraw/zinc/25/43/81/523254381.db2.gz MCHCOHOYGDGHTC-GHMZBOCLSA-N 1 0 265.426 3.106 10 0 CGAERO CC[C@@H]1CC[C@H]([NH2+]C)[C@H](N2CCC[C@H](C)[C@@H]2C)C1 ZINC000050564304 523368608 /nfs/dbraw/zinc/36/86/08/523368608.db2.gz OBKKLTDHMNPJEA-ARKGTOAJSA-N 1 0 252.446 3.274 10 0 CGAERO CCn1cc([C@H]([NH3+])C2(c3ccccc3)CCC2)cn1 ZINC000062781657 523480333 /nfs/dbraw/zinc/48/03/33/523480333.db2.gz LAXQLAGOBCHICX-HNNXBMFYSA-N 1 0 255.365 3.025 10 0 CGAERO COCC[NH2+]CC(C)(C)Cc1ccccc1Cl ZINC000054638654 523935109 /nfs/dbraw/zinc/93/51/09/523935109.db2.gz XOCJSGGTJDAKMI-UHFFFAOYSA-N 1 0 255.789 3.145 10 0 CGAERO COCC[NH2+]C[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000054598434 523943344 /nfs/dbraw/zinc/94/33/44/523943344.db2.gz ACTNQUCCGVJFBE-GDBMZVCRSA-N 1 0 261.409 3.324 10 0 CGAERO COCC[NH2+]C[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000054598550 523944707 /nfs/dbraw/zinc/94/47/07/523944707.db2.gz HPZKPXFDQISGCM-PBHICJAKSA-N 1 0 255.361 3.179 10 0 CGAERO CCc1ccc(C[C@@]2(C[NH2+]C3CC3)CCOC2)s1 ZINC000054665206 523951537 /nfs/dbraw/zinc/95/15/37/523951537.db2.gz MJLBIUCOFKJCQE-OAHLLOKOSA-N 1 0 265.422 3.012 10 0 CGAERO CO[C@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000050370580 523981339 /nfs/dbraw/zinc/98/13/39/523981339.db2.gz GYNKJAPTCITSEL-ZLIFDBKOSA-N 1 0 259.393 3.393 10 0 CGAERO C[C@@H]1CCCN([C@@H](C[NH3+])c2ccc(F)cc2F)[C@@H]1C ZINC000050563906 524245098 /nfs/dbraw/zinc/24/50/98/524245098.db2.gz RARKXKFDKNINPG-HFAKWTLXSA-N 1 0 268.351 3.085 10 0 CGAERO C[C@H](C[NH3+])c1nc2ccccc2n1-c1ccccc1 ZINC000054334268 524311278 /nfs/dbraw/zinc/31/12/78/524311278.db2.gz JXRRAQPEQSEBJX-GFCCVEGCSA-N 1 0 251.333 3.088 10 0 CGAERO Cc1cc(C)cc(Cn2cc(C[NH2+]C(C)C)cn2)c1 ZINC000054719744 524401526 /nfs/dbraw/zinc/40/15/26/524401526.db2.gz YZYVFWXTIVDDLN-UHFFFAOYSA-N 1 0 257.381 3.046 10 0 CGAERO Cc1ccc(CN2C[C@H](C)[NH2+]C[C@@H]2CC(C)C)cc1 ZINC000062657360 524481632 /nfs/dbraw/zinc/48/16/32/524481632.db2.gz SVBMTVFHAYSKKZ-RDJZCZTQSA-N 1 0 260.425 3.203 10 0 CGAERO Cc1ccc(CN2C[C@H](C)[NH2+]Cc3ccccc32)cc1 ZINC000062662912 524482285 /nfs/dbraw/zinc/48/22/85/524482285.db2.gz ORIVXUJJJDHJHG-HNNXBMFYSA-N 1 0 266.388 3.493 10 0 CGAERO Cc1cc(C[NH2+][C@@H](CC(C)C)CN(C)C)ccc1F ZINC000050545511 524766210 /nfs/dbraw/zinc/76/62/10/524766210.db2.gz CPQBCSQAVQBOJN-HNNXBMFYSA-N 1 0 266.404 3.200 10 0 CGAERO COc1ccc(OC(F)F)c(C[NH2+]C(C)(C)C)c1 ZINC000062727510 524786525 /nfs/dbraw/zinc/78/65/25/524786525.db2.gz KIRDSPBQUUCJCG-UHFFFAOYSA-N 1 0 259.296 3.185 10 0 CGAERO Cc1cccc(S[C@H](C)C[NH2+]C[C@@H]2CCCO2)c1 ZINC000053647218 524812515 /nfs/dbraw/zinc/81/25/15/524812515.db2.gz SOFNVLNVBPPUQT-KGLIPLIRSA-N 1 0 265.422 3.244 10 0 CGAERO C[C@@H]1CN(Cc2c(Cl)cccc2Cl)[C@H](C)C[NH2+]1 ZINC000062666736 524980973 /nfs/dbraw/zinc/98/09/73/524980973.db2.gz DOFXAFBHOODQHK-NXEZZACHSA-N 1 0 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ZINC000757215351 617846801 /nfs/dbraw/zinc/84/68/01/617846801.db2.gz NTLLGGBLDJIQHR-PTRXPTGYSA-N 1 0 263.410 3.392 10 0 CGAERO CC(C)c1ccc([C@H]2C[NH2+]C[C@@H]2C(=O)OC(C)(C)C)cc1 ZINC000757182877 617834382 /nfs/dbraw/zinc/83/43/82/617834382.db2.gz AWGWHUFIKZLKFL-CVEARBPZSA-N 1 0 289.419 3.455 10 0 CGAERO Cc1nn(C)c2sc([C@@H]3[NH2+]C[C@@H](C)C[C@@H]3C)cc12 ZINC000757218592 617848162 /nfs/dbraw/zinc/84/81/62/617848162.db2.gz VCIBQMTUSUOHGV-MWODSPESSA-N 1 0 263.410 3.250 10 0 CGAERO Cc1nn(C)c2sc([C@@H]3C[C@@H](C)[NH2+][C@@H](C)C3)cc12 ZINC000757220313 617849617 /nfs/dbraw/zinc/84/96/17/617849617.db2.gz YNMMVSHFCSLDAY-DOFRTFSJSA-N 1 0 263.410 3.187 10 0 CGAERO CC(C)(C)Cc1noc(CC2(C[NH3+])CCCCC2)n1 ZINC000068847804 617927655 /nfs/dbraw/zinc/92/76/55/617927655.db2.gz VDWOMOFEGBMKPI-UHFFFAOYSA-N 1 0 265.401 3.110 10 0 CGAERO CN(Cc1ccccc1Cl)C(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000089390824 618133505 /nfs/dbraw/zinc/13/35/05/618133505.db2.gz IBFDLOQZOFWDFM-JSGCOSHPSA-N 1 0 294.826 3.064 10 0 CGAERO 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262.397 3.083 10 0 CGAERO COc1ncc(-c2ccc([C@@H](OC)[C@H](C)[NH3+])cc2)cc1C ZINC000906191426 622179480 /nfs/dbraw/zinc/17/94/80/622179480.db2.gz VTZCMHQCQQWBDW-LRDDRELGSA-N 1 0 286.375 3.100 10 0 CGAERO COc1ccc(CC[C@H](C)[NH2+]C[C@H](O)C(C)(C)C)cc1 ZINC000164034882 622811644 /nfs/dbraw/zinc/81/16/44/622811644.db2.gz XGXRZSUQCJPDCE-BBRMVZONSA-N 1 0 279.424 3.013 10 0 CGAERO COC1CC([NH2+]Cc2ccc(Cl)c3cccnc23)C1 ZINC000230688961 623264747 /nfs/dbraw/zinc/26/47/47/623264747.db2.gz VJRALLOSCTUVRK-UHFFFAOYSA-N 1 0 276.767 3.155 10 0 CGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1CCCCCCC1 ZINC000172926769 623295161 /nfs/dbraw/zinc/29/51/61/623295161.db2.gz LTPDZTHBDYCNDS-GOEBONIOSA-N 1 0 278.440 3.042 10 0 CGAERO CC(C)(C)c1csc(C[NH2+][C@H]2CCCC[C@@H]2CO)n1 ZINC000231042904 623295407 /nfs/dbraw/zinc/29/54/07/623295407.db2.gz NZGWGALQFHPCTH-NEPJUHHUSA-N 1 0 282.453 3.081 10 0 CGAERO C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)c2ccco2)CC(C)(C)C1 ZINC000174530621 623404066 /nfs/dbraw/zinc/40/40/66/623404066.db2.gz IGDFJOCIQTXJEK-WWGRRREGSA-N 1 0 265.397 3.292 10 0 CGAERO [NH3+]CCCCCc1nc(C(C2CCC2)C2CCC2)no1 ZINC000312347331 623510002 /nfs/dbraw/zinc/51/00/02/623510002.db2.gz HUBQRSIUQBUQFQ-UHFFFAOYSA-N 1 0 277.412 3.425 10 0 CGAERO COc1ccc([C@@H](C)[NH2+]C[Si](C)(C)C)cc1OC ZINC000180885948 624780916 /nfs/dbraw/zinc/78/09/16/624780916.db2.gz SZVYATORCCUYQN-LLVKDONJSA-N 1 0 267.445 3.232 10 0 CGAERO O[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccccc1 ZINC000069389721 624844236 /nfs/dbraw/zinc/84/42/36/624844236.db2.gz ZMZASEAMGVFOGF-BFHYXJOUSA-N 1 0 287.325 3.431 10 0 CGAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCC1(C)OCCO1 ZINC000183887766 625163856 /nfs/dbraw/zinc/16/38/56/625163856.db2.gz UTIPQOGWMMXEFJ-ZIAGYGMSSA-N 1 0 269.429 3.334 10 0 CGAERO CSCC[C@H](C)Nc1ccc2c(c1)CCN2C ZINC000757135019 630585983 /nfs/dbraw/zinc/58/59/83/630585983.db2.gz XVDWDCWVFCCDMX-NSHDSACASA-N 1 0 250.411 3.232 10 0 CGAERO CCOC(=O)C[C@@H]([NH3+])Cc1cccc(Oc2ccccc2)c1 ZINC000757168794 630588095 /nfs/dbraw/zinc/58/80/95/630588095.db2.gz NYSZBUZWQXWQKD-HNNXBMFYSA-N 1 0 299.370 3.302 10 0 CGAERO CC[C@H](C)c1noc([C@H](C)[C@H]([NH3+])c2ccccc2)n1 ZINC000129611621 636321162 /nfs/dbraw/zinc/32/11/62/636321162.db2.gz AFJQETGAVNJPNX-LOWVWBTDSA-N 1 0 259.353 3.387 10 0 CGAERO [NH3+][C@@H]1CC[C@H](c2nc(Cc3cccc(Cl)c3F)no2)C1 ZINC000213796227 636496159 /nfs/dbraw/zinc/49/61/59/636496159.db2.gz KOSQFUNNMABQSF-VHSXEESVSA-N 1 0 295.745 3.048 10 0 CGAERO CC(C)(C)OC(=O)NCC(C)(C)[NH2+]Cc1ccc(F)cc1 ZINC000221050030 637718000 /nfs/dbraw/zinc/71/80/00/637718000.db2.gz ZJBFXIPDUHFZMU-UHFFFAOYSA-N 1 0 296.386 3.219 10 0 CGAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000300358311 637832831 /nfs/dbraw/zinc/83/28/31/637832831.db2.gz FNCLQKNDIJEVJV-HZSPNIEDSA-N 1 0 282.428 3.164 10 0 CGAERO CCCCCC[C@H](CC)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000116749139 639140203 /nfs/dbraw/zinc/14/02/03/639140203.db2.gz JWDPXSAOCRVGKK-LSDHHAIUSA-N 1 0 268.445 3.146 10 0 CGAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CC1(C)OCCCO1 ZINC000190640401 640257516 /nfs/dbraw/zinc/25/75/16/640257516.db2.gz CJFIBSVQRXQFLL-ZIAGYGMSSA-N 1 0 269.429 3.334 10 0 CGAERO C/C(=C\C(=O)N[C@@H]1CCC[NH2+][C@@H]1C)c1cccc(Cl)c1 ZINC000193509683 640467088 /nfs/dbraw/zinc/46/70/88/640467088.db2.gz JFIJVHRCFHSDAQ-SBZOKTBKSA-N 1 0 292.810 3.000 10 0 CGAERO Cc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C[NH3+])c(Cl)c1 ZINC000089387336 640644472 /nfs/dbraw/zinc/64/44/72/640644472.db2.gz ISZGBMAFEVSMCF-NEPJUHHUSA-N 1 0 280.799 3.352 10 0 CGAERO CN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089390846 640644512 /nfs/dbraw/zinc/64/45/12/640644512.db2.gz HSMUWYMXSHERAM-UKRRQHHQSA-N 1 0 294.826 3.064 10 0 CGAERO Cc1ccc(F)cc1-c1noc([C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000089431142 640645861 /nfs/dbraw/zinc/64/58/61/640645861.db2.gz MGNJYMGABHPIOI-PWSUYJOCSA-N 1 0 275.327 3.027 10 0 CGAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000252564612 640853991 /nfs/dbraw/zinc/85/39/91/640853991.db2.gz YDEHZGYYBRBCFW-TWMKSMIVSA-N 1 0 294.483 3.044 10 0 CGAERO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)OC(C)(C)C)cc1 ZINC000095642301 185017166 /nfs/dbraw/zinc/01/71/66/185017166.db2.gz DYSFHDPUVDYXRK-HNNXBMFYSA-N 1 0 290.407 3.130 10 0 CGAERO CCCc1nc(-c2cccc(OC)c2)sc1C[NH2+]C ZINC000082428366 178004587 /nfs/dbraw/zinc/00/45/87/178004587.db2.gz GMLNKRRMNRIPMU-UHFFFAOYSA-N 1 0 276.405 3.491 10 0 CGAERO CCCc1nc(-c2c(F)cccc2F)sc1C[NH3+] ZINC000082431947 178009524 /nfs/dbraw/zinc/00/95/24/178009524.db2.gz PCJKROMNRQRLHJ-UHFFFAOYSA-N 1 0 268.332 3.500 10 0 CGAERO CCC[NH2+]Cc1sc(C(C)(C)C)nc1COC ZINC000082446061 178022948 /nfs/dbraw/zinc/02/29/48/178022948.db2.gz PZMCHQCTFHXOBN-UHFFFAOYSA-N 1 0 256.415 3.087 10 0 CGAERO CCC[NH2+]Cc1sc(CSCCC)nc1COC ZINC000082445874 178023250 /nfs/dbraw/zinc/02/32/50/178023250.db2.gz BBJHDUIXLGIELU-UHFFFAOYSA-N 1 0 288.482 3.432 10 0 CGAERO Cc1ccc2ccccc2c1[C@@H](O)[C@H]1CCC[NH2+]C1 ZINC000083165991 178347954 /nfs/dbraw/zinc/34/79/54/178347954.db2.gz BQABKQUXGJPPRG-YOEHRIQHSA-N 1 0 255.361 3.181 10 0 CGAERO CCn1nc(C)c([C@@H](C)[NH2+]CC[C@@H]2CC2(F)F)c1C ZINC000621768176 349582511 /nfs/dbraw/zinc/58/25/11/349582511.db2.gz LRZDEOJQHMJHBD-BXKDBHETSA-N 1 0 271.355 3.216 10 0 CGAERO COc1cc(SC)c(OC)c2c1C(C)(C)C[NH2+][C@@H]2C ZINC000096889021 185124330 /nfs/dbraw/zinc/12/43/30/185124330.db2.gz ILTIRLNJMKGXMN-SECBINFHSA-N 1 0 281.421 3.368 10 0 CGAERO C[NH2+][C@@H](CCO)c1ccc(SC2CCCC2)cc1 ZINC000096891000 185124646 /nfs/dbraw/zinc/12/46/46/185124646.db2.gz RDHNTTZKSBHMHC-HNNXBMFYSA-N 1 0 265.422 3.364 10 0 CGAERO Cc1ccc([C@@H]2[C@H]([NH3+])CCN2Cc2ccccc2)cc1 ZINC000096947860 185137752 /nfs/dbraw/zinc/13/77/52/185137752.db2.gz BXJMGLNFVJVTDD-QZTJIDSGSA-N 1 0 266.388 3.269 10 0 CGAERO CCc1ccc(CC)c(NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000423276021 529624861 /nfs/dbraw/zinc/62/48/61/529624861.db2.gz NXPSXVGLVFNHPY-IUODEOHRSA-N 1 0 274.408 3.138 10 0 CGAERO O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccsc1C(F)(F)F ZINC000623428720 349805212 /nfs/dbraw/zinc/80/52/12/349805212.db2.gz XPOMPOXJGLAUJV-MWLCHTKSSA-N 1 0 293.354 3.408 10 0 CGAERO C[N@@H+](Cc1ccccc1)C[C@@H]1CCc2ccc(O)cc2O1 ZINC000013775967 344880465 /nfs/dbraw/zinc/88/04/65/344880465.db2.gz NSEJEWWJBYGEFK-KRWDZBQOSA-N 1 0 283.371 3.218 10 0 CGAERO CC[C@H](C)[C@H]([NH3+])C(=O)N(C)Cc1ccc(C(C)(C)C)cc1 ZINC000037798251 344953191 /nfs/dbraw/zinc/95/31/91/344953191.db2.gz KTKRPNOHFMPRTQ-BBRMVZONSA-N 1 0 290.451 3.316 10 0 CGAERO CC1(C)CC(Oc2ncccc2Cl)CC(C)(C)[NH2+]1 ZINC000035898813 344942724 /nfs/dbraw/zinc/94/27/24/344942724.db2.gz PEMKWBZAVIUDHI-UHFFFAOYSA-N 1 0 268.788 3.423 10 0 CGAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc2oc(C(C)C)nc2c1 ZINC000037041355 344946888 /nfs/dbraw/zinc/94/68/88/344946888.db2.gz BCWAXFKIMVYIQG-QMTHXVAHSA-N 1 0 289.379 3.263 10 0 CGAERO CC(C)(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)cc1 ZINC000037164175 344948065 /nfs/dbraw/zinc/94/80/65/344948065.db2.gz KHNURCMULDBZCD-HZPDHXFCSA-N 1 0 261.409 3.377 10 0 CGAERO O[C@@H]1CCC[C@@H]([NH2+]Cc2c(Cl)cccc2Cl)C1 ZINC000037165372 344948282 /nfs/dbraw/zinc/94/82/82/344948282.db2.gz MZFXQQJHLRPMSA-NXEZZACHSA-N 1 0 274.191 3.387 10 0 CGAERO [NH3+][C@H](c1cc(Cl)sc1Cl)[C@@H]1CCCO1 ZINC000037379151 344949931 /nfs/dbraw/zinc/94/99/31/344949931.db2.gz QEAVGZGNTZPXNX-POYBYMJQSA-N 1 0 252.166 3.234 10 0 CGAERO C[NH2+][C@@H]1CCC[C@@H]1Cc1ccc(Br)s1 ZINC000042398848 344983050 /nfs/dbraw/zinc/98/30/50/344983050.db2.gz GTZVQBZWMORWSB-PSASIEDQSA-N 1 0 274.227 3.441 10 0 CGAERO CC(C)c1ccc([C@@H](O)[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000054685573 345137856 /nfs/dbraw/zinc/13/78/56/345137856.db2.gz FXPXIARXYUCZJL-QZTJIDSGSA-N 1 0 269.388 3.413 10 0 CGAERO c1sc(C[NH2+]CC[C@H]2CCCO2)nc1-c1ccccc1 ZINC000061680930 345231038 /nfs/dbraw/zinc/23/10/38/345231038.db2.gz TWVMZUCHLJZXNE-CQSZACIVSA-N 1 0 288.416 3.469 10 0 CGAERO C[NH2+][C@@H](C)c1ccc(SC)c(Br)c1 ZINC000061700287 345232226 /nfs/dbraw/zinc/23/22/26/345232226.db2.gz RHUFGKMXEZJRIH-ZETCQYMHSA-N 1 0 260.200 3.451 10 0 CGAERO [NH2+]=C(Nc1ccc(I)cc1)C1CC1 ZINC000062988054 345242219 /nfs/dbraw/zinc/24/22/19/345242219.db2.gz CNODESBWPHOWPZ-UHFFFAOYSA-N 1 0 286.116 3.090 10 0 CGAERO CC[N@@H+]1CCC[C@H](Nc2nc3ccccc3cc2C)C1 ZINC000063105891 345243322 /nfs/dbraw/zinc/24/33/22/345243322.db2.gz NTXTVLRYDDAIEM-HNNXBMFYSA-N 1 0 269.392 3.439 10 0 CGAERO Cc1cc(Br)c(C)c2c1CCC[C@@H]2[NH3+] ZINC000070022318 345387663 /nfs/dbraw/zinc/38/76/63/345387663.db2.gz NWGZWQJIJHGKNK-NSHDSACASA-N 1 0 254.171 3.402 10 0 CGAERO [NH3+][C@@H](c1ccoc1)c1ccccc1Br ZINC000068979909 345369592 /nfs/dbraw/zinc/36/95/92/345369592.db2.gz CYKTYJWLDZGXKQ-NSHDSACASA-N 1 0 252.111 3.090 10 0 CGAERO C/C(=C/CC[NH3+])c1ccc(F)c(Br)c1 ZINC000069050397 345371863 /nfs/dbraw/zinc/37/18/63/345371863.db2.gz LDFCIEYPJUQZIF-BAQGIRSFSA-N 1 0 258.134 3.340 10 0 CGAERO C[C@@H]1C[C@@H](c2cc(Br)cs2)[C@H](C)[NH2+]1 ZINC000070586996 345392222 /nfs/dbraw/zinc/39/22/22/345392222.db2.gz DHFHXEZFWFTEAH-BKPPORCPSA-N 1 0 260.200 3.365 10 0 CGAERO [NH3+][C@H]1CC[C@H](Cc2cc(Br)cs2)C1 ZINC000070741269 345394117 /nfs/dbraw/zinc/39/41/17/345394117.db2.gz FQXNXWUJJVWNCN-CBAPKCEASA-N 1 0 260.200 3.181 10 0 CGAERO COc1ccc(C[NH2+][C@H]2CCC[C@@H](O)C2)c2ccccc12 ZINC000109133096 345940683 /nfs/dbraw/zinc/94/06/83/345940683.db2.gz BWYJDHKYPJMSMY-LSDHHAIUSA-N 1 0 285.387 3.242 10 0 CGAERO Cc1cc2ccccc2nc1N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000111716049 345951028 /nfs/dbraw/zinc/95/10/28/345951028.db2.gz XRQOOUSITCQBDA-HIFRSBDPSA-N 1 0 269.392 3.107 10 0 CGAERO O=C(Nc1ccc([C@@H]2CC[NH2+]C2)cc1)c1ccccc1 ZINC000117718181 345985657 /nfs/dbraw/zinc/98/56/57/345985657.db2.gz MSKGDBYYEZFIOF-OAHLLOKOSA-N 1 0 266.344 3.016 10 0 CGAERO C[NH2+][C@@H](C)c1ccc(Br)cc1SC ZINC000132093935 346070403 /nfs/dbraw/zinc/07/04/03/346070403.db2.gz AOCZXEXVLPFLAE-ZETCQYMHSA-N 1 0 260.200 3.451 10 0 CGAERO Cc1ccc(C)c(-c2cccc3c2O[C@H](C[NH3+])C3)c1 ZINC000139699559 346101487 /nfs/dbraw/zinc/10/14/87/346101487.db2.gz YQZUVEKPESLTIZ-AWEZNQCLSA-N 1 0 253.345 3.233 10 0 CGAERO Nc1ccccc1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000144117870 346117005 /nfs/dbraw/zinc/11/70/05/346117005.db2.gz QIHPQIPATLKSLR-OAHLLOKOSA-N 1 0 252.361 3.258 10 0 CGAERO O[C@@]12CCCC[C@@H]1CCC[C@H]2[NH2+]Cc1ccccc1 ZINC000144574539 346118343 /nfs/dbraw/zinc/11/83/43/346118343.db2.gz MWNOTFFYBJBMBU-ZACQAIPSSA-N 1 0 259.393 3.250 10 0 CGAERO CCC(=O)[C@]1(Cc2ccc(Br)cc2)CCC[NH2+]1 ZINC000145904953 346121550 /nfs/dbraw/zinc/12/15/50/346121550.db2.gz FNGBWSORUHCOKK-CQSZACIVSA-N 1 0 296.208 3.093 10 0 CGAERO FC1(c2cscc2Br)CC[NH2+]CC1 ZINC000158106531 346163925 /nfs/dbraw/zinc/16/39/25/346163925.db2.gz XAIRMETWVOALQQ-UHFFFAOYSA-N 1 0 264.163 3.059 10 0 CGAERO CC[C@H]1C[C@@]1(C[NH3+])c1cccc(Br)c1 ZINC000160968307 346173478 /nfs/dbraw/zinc/17/34/78/346173478.db2.gz CXLDSIOWNMORBI-CABZTGNLSA-N 1 0 254.171 3.076 10 0 CGAERO C[C@H]1C[C@@]1(C[NH3+])Sc1ccc(Br)cc1 ZINC000160986678 346173830 /nfs/dbraw/zinc/17/38/30/346173830.db2.gz QNEUMPACFGUCSR-KWQFWETISA-N 1 0 272.211 3.279 10 0 CGAERO CC[C@H](c1ccc(F)cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000154015555 346147772 /nfs/dbraw/zinc/14/77/72/346147772.db2.gz XWYWWOYRYCFBHI-LALPHHSUSA-N 1 0 251.345 3.386 10 0 CGAERO CC(C)(O)C[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000171439083 346207853 /nfs/dbraw/zinc/20/78/53/346207853.db2.gz PVKBWTDZIANXSM-SFHVURJKSA-N 1 0 281.399 3.405 10 0 CGAERO [NH3+][C@H](c1cscc1Br)[C@H]1CCSC1 ZINC000164396969 346182387 /nfs/dbraw/zinc/18/23/87/346182387.db2.gz KNFJGFBITFRHAS-RCOVLWMOSA-N 1 0 278.240 3.264 10 0 CGAERO C[N@H+]1Cc2ccccc2[C@@H](c2ccc3cnncc3c2)C1 ZINC000164853740 346182941 /nfs/dbraw/zinc/18/29/41/346182941.db2.gz DSHGJWQSNUKNEG-GOSISDBHSA-N 1 0 275.355 3.207 10 0 CGAERO C[C@H]([NH3+])c1cc(Cl)c(Br)cc1F ZINC000164690240 346183235 /nfs/dbraw/zinc/18/32/35/346183235.db2.gz KLNYZAXOLXFFCY-BYPYZUCNSA-N 1 0 252.514 3.261 10 0 CGAERO CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]2c2ccco2)CC1 ZINC000174906563 346246480 /nfs/dbraw/zinc/24/64/80/346246480.db2.gz VIKRVCULBYUKKO-HNNXBMFYSA-N 1 0 290.407 3.064 10 0 CGAERO CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CC[NH2+]C2)cc1 ZINC000218940859 346294048 /nfs/dbraw/zinc/29/40/48/346294048.db2.gz NQZUCACRWFFRMN-ZDUSSCGKSA-N 1 0 276.380 3.135 10 0 CGAERO CC[C@@H]1[C@H]([NH3+])C[C@@H]1c1sccc1Br ZINC000225056813 346303344 /nfs/dbraw/zinc/30/33/44/346303344.db2.gz OMGPODPNZLKLCM-ACLDMZEESA-N 1 0 260.200 3.351 10 0 CGAERO C[NH2+]C[C@H]1C[C@H]1c1cc(Br)c(C)s1 ZINC000227955364 346312139 /nfs/dbraw/zinc/31/21/39/346312139.db2.gz WZLRKVHNWZRQTK-HTQZYQBOSA-N 1 0 260.200 3.142 10 0 CGAERO C[C@@H]1C[NH2+][C@H](c2cc(Br)cs2)CS1 ZINC000229867259 346319129 /nfs/dbraw/zinc/31/91/29/346319129.db2.gz YLSMSFPGHUSPHB-SVRRBLITSA-N 1 0 278.240 3.277 10 0 CGAERO C[C@H]([NH3+])c1ccc(Br)c(Cl)c1F ZINC000235508671 346335834 /nfs/dbraw/zinc/33/58/34/346335834.db2.gz OATZMDPZLIHACF-BYPYZUCNSA-N 1 0 252.514 3.261 10 0 CGAERO [NH3+][C@H]1C[C@@H]1c1ccc(Br)c(Br)c1 ZINC000236318246 346340764 /nfs/dbraw/zinc/34/07/64/346340764.db2.gz KEVNOZAWJKCAHH-MUWHJKNJSA-N 1 0 290.986 3.026 10 0 CGAERO CC1(C)[C@H](C[NH3+])[C@@H]1c1ccc(Br)s1 ZINC000301022427 346439430 /nfs/dbraw/zinc/43/94/30/346439430.db2.gz QKEHSBCIRABCJM-HZGVNTEJSA-N 1 0 260.200 3.209 10 0 CGAERO C[C@@H]([NH3+])[C@@](C)(F)c1cc(Br)ccc1F ZINC000306244786 346452147 /nfs/dbraw/zinc/45/21/47/346452147.db2.gz PWDUFJPVSOUODO-LHLIQPBNSA-N 1 0 264.113 3.120 10 0 CGAERO CC1(C)[C@H](C[NH3+])[C@H]1c1csc(Br)c1 ZINC000306759492 346457181 /nfs/dbraw/zinc/45/71/81/346457181.db2.gz VNVMYFARRASICD-VXNVDRBHSA-N 1 0 260.200 3.209 10 0 CGAERO C[C@H]([NH3+])[C@H]1C[C@@H]1c1cccc(F)c1Br ZINC000307241994 346460907 /nfs/dbraw/zinc/46/09/07/346460907.db2.gz JDKCFQCZWHINPL-NBEYISGCSA-N 1 0 258.134 3.039 10 0 CGAERO Cc1ccncc1N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000307398127 346462189 /nfs/dbraw/zinc/46/21/89/346462189.db2.gz XUHIIMICZOLEBA-NVXWUHKLSA-N 1 0 281.403 3.465 10 0 CGAERO FC(F)(F)CCOC[C@H]1[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000584643594 346703296 /nfs/dbraw/zinc/70/32/96/346703296.db2.gz QSSLCGHFBRMVCS-FICVDOATSA-N 1 0 299.336 3.333 10 0 CGAERO Clc1ccc(OCCCCCCCN2CC2)nc1 ZINC000584650386 346704435 /nfs/dbraw/zinc/70/44/35/346704435.db2.gz GIJAYQPKOVNOQD-UHFFFAOYSA-N 1 0 268.788 3.380 10 0 CGAERO C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cc(F)cc(F)c1 ZINC000584661948 346706692 /nfs/dbraw/zinc/70/66/92/346706692.db2.gz KGJNWBMXMJYKEL-MRXNPFEDSA-N 1 0 277.314 3.130 10 0 CGAERO Nc1ccc(OC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(F)c1 ZINC000584592573 346686151 /nfs/dbraw/zinc/68/61/51/346686151.db2.gz MJPGNLJUEJRUOL-DOMZBBRYSA-N 1 0 278.371 3.051 10 0 CGAERO COc1ccc([C@H](O)[C@H]2CCCC[C@@H]2[NH+]2CCCC2)cc1 ZINC000584596105 346687585 /nfs/dbraw/zinc/68/75/85/346687585.db2.gz NVVVIDYRUUTGEA-BZSNNMDCSA-N 1 0 289.419 3.383 10 0 CGAERO C[NH2+]Cc1ccccc1[C@@H](O)c1ccc(SC)cc1 ZINC000584596933 346687718 /nfs/dbraw/zinc/68/77/18/346687718.db2.gz QFWQTIKKRBBPGC-INIZCTEOSA-N 1 0 273.401 3.210 10 0 CGAERO C[NH+](C)[C@@]1(c2ccc(Cl)cc2)CC[C@H](O)CC1 ZINC000584601222 346689559 /nfs/dbraw/zinc/68/95/59/346689559.db2.gz BNCYWFKJJIUFMG-HDJSIYSDSA-N 1 0 253.773 3.032 10 0 CGAERO CC[NH2+]CCCC1=N[C@@H](c2ccccc2Cl)N(CC)O1 ZINC000584614178 346693129 /nfs/dbraw/zinc/69/31/29/346693129.db2.gz YVZOUCQJQLUGIK-OAHLLOKOSA-N 1 0 295.814 3.394 10 0 CGAERO Clc1ccccc1[C@@H]1N=C(CCC[NH+]2CCCC2)ON1 ZINC000584613686 346693279 /nfs/dbraw/zinc/69/32/79/346693279.db2.gz DZZIKQDTJLWSBZ-OAHLLOKOSA-N 1 0 293.798 3.148 10 0 CGAERO C[C@@H](N[C@@H](C)c1ccccn1)[C@@H](C)[NH2+][C@@H](C)c1ccccn1 ZINC000584623722 346696481 /nfs/dbraw/zinc/69/64/81/346696481.db2.gz BPTDNJBDVYVZFT-WCVJEAGWSA-N 1 0 298.434 3.255 10 0 CGAERO Cc1oc2ccccc2c1C[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000128455436 187371215 /nfs/dbraw/zinc/37/12/15/187371215.db2.gz BYVOTUNYKCMRRX-CQSZACIVSA-N 1 0 295.386 3.464 10 0 CGAERO CSCc1cccc(-c2ncc(C[NH3+])s2)c1 ZINC000600779448 347834837 /nfs/dbraw/zinc/83/48/37/347834837.db2.gz WJPYOCCETFMDTB-UHFFFAOYSA-N 1 0 250.392 3.132 10 0 CGAERO CC1(C)C[C@@H]([NH3+])c2ccc(Br)cc2O1 ZINC000087015775 179380122 /nfs/dbraw/zinc/38/01/22/179380122.db2.gz CALLMQCITOKEHG-SECBINFHSA-N 1 0 256.143 3.010 10 0 CGAERO COC(=O)CCCC[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000611409241 348447565 /nfs/dbraw/zinc/44/75/65/348447565.db2.gz BNEHODVUCSFXTA-LBPRGKRZSA-N 1 0 267.344 3.128 10 0 CGAERO c1ccc(C[N@@H+]2CCCC[C@H]2c2cccnn2)cc1 ZINC000616616206 348846356 /nfs/dbraw/zinc/84/63/56/348846356.db2.gz BBRSUTDLQMLJEI-INIZCTEOSA-N 1 0 253.349 3.204 10 0 CGAERO CC[N@@H+]1CCO[C@@H](c2cncc3ccccc32)CC1 ZINC000616595196 348839218 /nfs/dbraw/zinc/83/92/18/348839218.db2.gz UNPZAFSMZHNYCE-MRXNPFEDSA-N 1 0 256.349 3.018 10 0 CGAERO CC(C)[NH+]1CCC(c2cccc3ccnnc32)CC1 ZINC000616619710 348848093 /nfs/dbraw/zinc/84/80/93/348848093.db2.gz XKMUFUFQQPRDLD-UHFFFAOYSA-N 1 0 255.365 3.218 10 0 CGAERO CC[N@@H+]1CCCOC[C@@H]1c1ccnc2ccccc21 ZINC000616599863 348841505 /nfs/dbraw/zinc/84/15/05/348841505.db2.gz RNWHMYCUPTYAMY-MRXNPFEDSA-N 1 0 256.349 3.018 10 0 CGAERO CC(=O)Nc1ccc(C2CC[NH+](C(C)C)CC2)cc1 ZINC000616619785 348848250 /nfs/dbraw/zinc/84/82/50/348848250.db2.gz YMLMESGKYGEMOW-UHFFFAOYSA-N 1 0 260.381 3.233 10 0 CGAERO CC(C)(C)[NH+]1CCC(c2ccc(CCO)cc2)CC1 ZINC000616619332 348848347 /nfs/dbraw/zinc/84/83/47/348848347.db2.gz HUWNHRKOVIAFRV-UHFFFAOYSA-N 1 0 261.409 3.199 10 0 CGAERO OCC[N@@H+]1CCCCC[C@H]1c1ccc2cnccc2c1 ZINC000616624705 348849916 /nfs/dbraw/zinc/84/99/16/348849916.db2.gz GQARBLNONHHPPJ-KRWDZBQOSA-N 1 0 270.376 3.144 10 0 CGAERO c1cn([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)cn1 ZINC000616629262 348851590 /nfs/dbraw/zinc/85/15/90/348851590.db2.gz NOSBBCHLPNSYDH-INIZCTEOSA-N 1 0 255.365 3.110 10 0 CGAERO c1ccc(C[N@@H+]2CCCC[C@H](c3ccncn3)C2)cc1 ZINC000616630275 348852509 /nfs/dbraw/zinc/85/25/09/348852509.db2.gz UOVOXPQLOWJQMX-INIZCTEOSA-N 1 0 267.376 3.246 10 0 CGAERO CC(C)(C)[N@@H+]1CCCOC[C@@H]1c1ccc2ccnnc2c1 ZINC000616645254 348854859 /nfs/dbraw/zinc/85/48/59/348854859.db2.gz IVNOGUNCTIYFCU-MRXNPFEDSA-N 1 0 285.391 3.192 10 0 CGAERO c1ccc(C[N@@H+]2CCCC[C@@H](c3ccnnc3)C2)cc1 ZINC000616650375 348857093 /nfs/dbraw/zinc/85/70/93/348857093.db2.gz ARWUBZDYRCIETL-QGZVFWFLSA-N 1 0 267.376 3.246 10 0 CGAERO CC(C)[N@@H+]1CCOC[C@H](c2ccnc3ccccc32)C1 ZINC000616662016 348859008 /nfs/dbraw/zinc/85/90/08/348859008.db2.gz YWXIUPCURDNCRD-CQSZACIVSA-N 1 0 270.376 3.059 10 0 CGAERO CC(C)(C)[N@@H+]1CCOC[C@H](c2ccc3ncccc3c2)C1 ZINC000616660447 348859013 /nfs/dbraw/zinc/85/90/13/348859013.db2.gz MYJUZPALWBHKRO-MRXNPFEDSA-N 1 0 284.403 3.449 10 0 CGAERO CC(C)[N@@H+]1CCc2ccccc2[C@H]1c1cccnc1 ZINC000616678135 348865074 /nfs/dbraw/zinc/86/50/74/348865074.db2.gz DEEFONOCWKSFCV-QGZVFWFLSA-N 1 0 252.361 3.438 10 0 CGAERO CNc1ccc([C@@H]2CC[N@@H+](C(C)(C)C)CCO2)cc1 ZINC000616684079 348866955 /nfs/dbraw/zinc/86/69/55/348866955.db2.gz BLLJLJAMRHTNBK-HNNXBMFYSA-N 1 0 262.397 3.290 10 0 CGAERO [NH3+]CCN1c2ccccc2NC[C@@H]1c1cccc(Cl)c1 ZINC000616686392 348867912 /nfs/dbraw/zinc/86/79/12/348867912.db2.gz ZYUVJRLOOCFDDU-MRXNPFEDSA-N 1 0 287.794 3.272 10 0 CGAERO c1ccc2c(c1)CCC[C@H]2C[NH2+]CC[C@H]1CCCO1 ZINC000104321662 185968329 /nfs/dbraw/zinc/96/83/29/185968329.db2.gz DEOQECAUEAWXGB-JKSUJKDBSA-N 1 0 259.393 3.265 10 0 CGAERO CC[C@@H]([NH3+])[C@@H](Oc1ccccc1CO)c1ccsc1 ZINC000104328084 185970636 /nfs/dbraw/zinc/97/06/36/185970636.db2.gz UPSQWMVXIBXZDM-HIFRSBDPSA-N 1 0 277.389 3.098 10 0 CGAERO Cc1ccc([C@@H](Oc2ccccc2CO)[C@H](C)[NH3+])s1 ZINC000104329188 185971392 /nfs/dbraw/zinc/97/13/92/185971392.db2.gz CRTSAXUXFDSVCO-NHYWBVRUSA-N 1 0 277.389 3.016 10 0 CGAERO CC[C@@H]1CCCC[C@@H]1[NH2+]C1(CO)CCC(C)CC1 ZINC000104386347 185987835 /nfs/dbraw/zinc/98/78/35/185987835.db2.gz XDNFBKDAKMJBHF-FYRZTWFESA-N 1 0 253.430 3.486 10 0 CGAERO CCC(CC)[C@H](C)[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000104433231 186000071 /nfs/dbraw/zinc/00/00/71/186000071.db2.gz PRELZOLPWYPTPQ-NHYWBVRUSA-N 1 0 253.361 3.273 10 0 CGAERO c1ccc([C@@H]2C[C@H]2[NH2+][C@H]2CCCC23CCOCC3)cc1 ZINC000291186166 197946713 /nfs/dbraw/zinc/94/67/13/197946713.db2.gz ORHRGZXXSYFHSD-BBWFWOEESA-N 1 0 271.404 3.481 10 0 CGAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cccc(O)c1 ZINC000122802128 187052759 /nfs/dbraw/zinc/05/27/59/187052759.db2.gz GTWPSMKDTJHWML-MRXNPFEDSA-N 1 0 285.391 3.080 10 0 CGAERO CCOc1cccc(CN(C)C[C@H]2CCC[N@@H+]2CC)c1 ZINC000123361986 187087001 /nfs/dbraw/zinc/08/70/01/187087001.db2.gz GNXXDNJYEADCJG-MRXNPFEDSA-N 1 0 276.424 3.001 10 0 CGAERO CCc1csc([C@@H]2CCC[N@H+](C[C@](C)(O)CC)C2)n1 ZINC000123474632 187094486 /nfs/dbraw/zinc/09/44/86/187094486.db2.gz CTYKNCGFMXOOAJ-IUODEOHRSA-N 1 0 282.453 3.046 10 0 CGAERO COc1c(C[N@@H+]2CCC[C@H]2c2ccccc2)c(C)nn1C ZINC000123659557 187103484 /nfs/dbraw/zinc/10/34/84/187103484.db2.gz AFPUTEHNTQAELX-INIZCTEOSA-N 1 0 285.391 3.074 10 0 CGAERO CCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400467034 282833972 /nfs/dbraw/zinc/83/39/72/282833972.db2.gz WISQEWYAEAHQCR-OLZOCXBDSA-N 1 0 270.417 3.022 10 0 CGAERO Cc1cccc(C2CC([NH2+]C[C@@](C)(O)C(F)(F)F)C2)c1 ZINC000368268698 234295817 /nfs/dbraw/zinc/29/58/17/234295817.db2.gz ZTWZWRXSLLKENY-JXQTWKCFSA-N 1 0 287.325 3.144 10 0 CGAERO CCC[C@@H](CC)[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000050402430 137912946 /nfs/dbraw/zinc/91/29/46/137912946.db2.gz GQZPWXPKHABVLS-OCCSQVGLSA-N 1 0 260.381 3.263 10 0 CGAERO OCCC[C@H]1CCC[N@@H+]1Cc1ccccc1Cl ZINC000052761814 137918299 /nfs/dbraw/zinc/91/82/99/137918299.db2.gz YFNJVXYHLPFGKK-CYBMUJFWSA-N 1 0 253.773 3.077 10 0 CGAERO Cc1sccc1C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000292748525 198398141 /nfs/dbraw/zinc/39/81/41/198398141.db2.gz AYICFXSHPGBPKT-PTEHBNRSSA-N 1 0 253.411 3.350 10 0 CGAERO C[C@H]([NH2+]CCSC1CCCCC1)[C@@H]1CCCO1 ZINC000053623523 137920825 /nfs/dbraw/zinc/92/08/25/137920825.db2.gz SMOBXLXUHHGPCI-JSGCOSHPSA-N 1 0 257.443 3.209 10 0 CGAERO CC[NH+](CC)Cc1cccc(NCc2ccnc(C)n2)c1 ZINC000054790490 137922744 /nfs/dbraw/zinc/92/27/44/137922744.db2.gz JWCYBWDXRZRDMY-UHFFFAOYSA-N 1 0 284.407 3.239 10 0 CGAERO C[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)[C@@H]1C[NH3+] ZINC000070175328 137937368 /nfs/dbraw/zinc/93/73/68/137937368.db2.gz BMGRPLIXJLGCCZ-SMDDNHRTSA-N 1 0 286.341 3.265 10 0 CGAERO Cc1noc(CC[NH2+]Cc2cc(Cl)cc(Cl)c2)n1 ZINC000105469195 138352747 /nfs/dbraw/zinc/35/27/47/138352747.db2.gz CFBPNGMHMXUPBQ-UHFFFAOYSA-N 1 0 286.162 3.017 10 0 CGAERO c1cc(C2CC[NH+](Cc3ccc4ccccc4n3)CC2)n[nH]1 ZINC000124316408 138374816 /nfs/dbraw/zinc/37/48/16/138374816.db2.gz KVHMFQNTVGXTPW-UHFFFAOYSA-N 1 0 292.386 3.338 10 0 CGAERO c1coc([C@H]2CCC[N@H+]2Cc2ccc3c[nH]nc3c2)c1 ZINC000124542854 138375596 /nfs/dbraw/zinc/37/55/96/138375596.db2.gz IOLBZWQDHZYFCO-OAHLLOKOSA-N 1 0 267.332 3.493 10 0 CGAERO CCc1ccc([C@@H](C)[NH2+]CC(=O)N2CCC[C@H](C)C2)cc1 ZINC000125470953 138382531 /nfs/dbraw/zinc/38/25/31/138382531.db2.gz WYDLYRGGTQJJGR-LSDHHAIUSA-N 1 0 288.435 3.158 10 0 CGAERO Cc1ccccc1NC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000130097891 138399448 /nfs/dbraw/zinc/39/94/48/138399448.db2.gz BJXFMONCBWLSQN-XJKSGUPXSA-N 1 0 268.360 3.270 10 0 CGAERO C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000133648708 138412737 /nfs/dbraw/zinc/41/27/37/138412737.db2.gz QWMOMWQPJLBONW-STQMWFEESA-N 1 0 284.359 3.401 10 0 CGAERO C[C@H]([NH2+]Cc1ccnc(N2CCCCCC2)c1)C1CC1 ZINC000177317432 138425834 /nfs/dbraw/zinc/42/58/34/138425834.db2.gz VSDUVRYDXCMTSU-AWEZNQCLSA-N 1 0 273.424 3.350 10 0 CGAERO Cn1nccc1C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000195503117 138490573 /nfs/dbraw/zinc/49/05/73/138490573.db2.gz OQIJIVSCQMTLEA-UHFFFAOYSA-N 1 0 289.810 3.453 10 0 CGAERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H]1[C@H](C)CCC[C@@H]1C)CC2 ZINC000245649404 138523295 /nfs/dbraw/zinc/52/32/95/138523295.db2.gz AAMLMAGXGCWFRA-CTASWTNQSA-N 1 0 290.455 3.131 10 0 CGAERO Cc1csc([C@H]2CCC[N@@H+]([C@H](C)c3cnccn3)C2)n1 ZINC000248598470 138553895 /nfs/dbraw/zinc/55/38/95/138553895.db2.gz BHHCTXIKSMWAIV-OLZOCXBDSA-N 1 0 288.420 3.182 10 0 CGAERO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1nnc(C2CC2)n1C ZINC000177537162 189055453 /nfs/dbraw/zinc/05/54/53/189055453.db2.gz JEBCTJVBMLEXNW-BBRMVZONSA-N 1 0 296.418 3.071 10 0 CGAERO Cc1ccc([C@H](C)[NH2+]Cc2cccc3nccn32)o1 ZINC000178491200 189120543 /nfs/dbraw/zinc/12/05/43/189120543.db2.gz PTMJDNUEWWOKOP-LBPRGKRZSA-N 1 0 255.321 3.087 10 0 CGAERO Cc1cccc(CCC[N@H+]2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000181114955 189289400 /nfs/dbraw/zinc/28/94/00/189289400.db2.gz NRUPCIPKTPVRLV-KRWDZBQOSA-N 1 0 283.419 3.151 10 0 CGAERO C[C@@H]1C[C@@H](Nc2ccccn2)C[N@@H+]1Cc1ccccc1 ZINC000301622695 201101187 /nfs/dbraw/zinc/10/11/87/201101187.db2.gz OEASEYDBJINWQZ-GDBMZVCRSA-N 1 0 267.376 3.157 10 0 CGAERO CC(=O)c1c(C)cc(C)c(C[NH2+][C@@H](C)[C@@H]2CCCO2)c1C ZINC000183119694 189347484 /nfs/dbraw/zinc/34/74/84/189347484.db2.gz LYTSHDYCHMOKKL-YOEHRIQHSA-N 1 0 289.419 3.472 10 0 CGAERO CCOC(=O)[C@]1(C)CCN(c2cc(C)[nH+]c3ccccc32)C1 ZINC000301799359 201203439 /nfs/dbraw/zinc/20/34/39/201203439.db2.gz ZRDDQRSYSGDRAN-GOSISDBHSA-N 1 0 298.386 3.323 10 0 CGAERO CCc1nccn1[C@H]1CCC[N@H+](CCOCCC(C)C)C1 ZINC000120600472 370784693 /nfs/dbraw/zinc/78/46/93/370784693.db2.gz VTDAUOZMQJXLLY-INIZCTEOSA-N 1 0 293.455 3.145 10 0 CGAERO CC(C)C[C@H](C)NC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000120789284 370800194 /nfs/dbraw/zinc/80/01/94/370800194.db2.gz STASQAAWNHNJPO-GOEBONIOSA-N 1 0 291.439 3.023 10 0 CGAERO CCO[C@H]1C[C@@H]([N@H+](C)CCc2ccccn2)C12CCCC2 ZINC000121190886 370837671 /nfs/dbraw/zinc/83/76/71/370837671.db2.gz ZWEZUCMAZLQBCR-SJORKVTESA-N 1 0 288.435 3.294 10 0 CGAERO C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000121685523 370886288 /nfs/dbraw/zinc/88/62/88/370886288.db2.gz ABTIKYDBDDWWFE-IACUBPJLSA-N 1 0 261.365 3.056 10 0 CGAERO CCCN(c1cc[nH+]cc1)n1ncc2ccccc21 ZINC000000010544 368271579 /nfs/dbraw/zinc/27/15/79/368271579.db2.gz WEMUITQZWVBMLV-UHFFFAOYSA-N 1 0 252.321 3.111 10 0 CGAERO [NH3+]CCc1nc(-c2ccc(Br)cc2)cs1 ZINC000003708160 368518112 /nfs/dbraw/zinc/51/81/12/368518112.db2.gz RHOMHSXERYIQQU-UHFFFAOYSA-N 1 0 283.194 3.074 10 0 CGAERO COc1ccc2[nH]c3c(c2c1)[C@H](C[NH+](C)C)CCC3 ZINC000013805820 368666854 /nfs/dbraw/zinc/66/68/54/368666854.db2.gz MEUKAKNAKNCMKB-NSHDSACASA-N 1 0 258.365 3.158 10 0 CGAERO Nc1c2ccccc2[nH+]c2c1CCNc1ccccc1-2 ZINC000013766028 368666950 /nfs/dbraw/zinc/66/69/50/368666950.db2.gz DWFSIOVCWIRSFW-UHFFFAOYSA-N 1 0 261.328 3.452 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1ccccc1N(C)C ZINC000248845749 299391988 /nfs/dbraw/zinc/39/19/88/299391988.db2.gz OFCUJWBCTLKMOW-JCKWVBRZSA-N 1 0 288.435 3.361 10 0 CGAERO CC[C@H](C)CCCCCCCC/C=C/[C@@H](O)[C@@H]([NH3+])CO ZINC000014419903 368681723 /nfs/dbraw/zinc/68/17/23/368681723.db2.gz NJVGCHGRFMZTKV-OTRKURBISA-N 1 0 285.472 3.390 10 0 in-vitro CGAERO Clc1ccc(CCN2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000022940714 368813744 /nfs/dbraw/zinc/81/37/44/368813744.db2.gz IGVDQXLOMXGWKN-ZDUSSCGKSA-N 1 0 299.245 3.316 10 0 CGAERO Clc1cc2c(cc1Cl)CN(CC[NH+]1CCCC1)CC2 ZINC000022935749 368814267 /nfs/dbraw/zinc/81/42/67/368814267.db2.gz OADNZCMECFFNQU-UHFFFAOYSA-N 1 0 299.245 3.447 10 0 CGAERO C[NH+]1CCC2(CC1)c1ccccc1Oc1c(N)cccc12 ZINC000026396640 368858605 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369085122 /nfs/dbraw/zinc/08/51/22/369085122.db2.gz UGDAFYFCGCSBGX-AWEZNQCLSA-N 1 0 293.407 3.325 10 0 CGAERO c1ccc(N2c3ccccc3[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000039370092 369150387 /nfs/dbraw/zinc/15/03/87/369150387.db2.gz CJWPRFAPIUPOSX-DOTOQJQBSA-N 1 0 250.345 3.284 10 0 CGAERO OCCC[C@H]1CCC[N@@H+]1Cc1ccccc1C(F)(F)F ZINC000052762637 369470124 /nfs/dbraw/zinc/47/01/24/369470124.db2.gz KFANOZYOWJMDPV-CYBMUJFWSA-N 1 0 287.325 3.442 10 0 CGAERO C[C@@H](C[NH3+])c1nc2cc(Br)ccc2s1 ZINC000054334445 369501195 /nfs/dbraw/zinc/50/11/95/369501195.db2.gz PRWWEABSSQIRJO-LURJTMIESA-N 1 0 271.183 3.121 10 0 CGAERO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](CO)c1ccccc1 ZINC000062999348 369634250 /nfs/dbraw/zinc/63/42/50/369634250.db2.gz VDKBEDXGGBHWSA-YOEHRIQHSA-N 1 0 285.387 3.388 10 0 CGAERO CC(C)c1cc(N2CCC([NH3+])CC2)nc(-c2ccccc2)n1 ZINC000070451794 369799664 /nfs/dbraw/zinc/79/96/64/369799664.db2.gz JOOBZKZBBLPNIX-UHFFFAOYSA-N 1 0 296.418 3.195 10 0 CGAERO CC(C)c1cc(NC2CC[NH2+]CC2)nc(-c2ccccc2)n1 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295.467 3.474 10 0 CGAERO CCc1ccc([C@@H]2CCCC[N@@H+]2C[C@H](O)CSC)o1 ZINC000187905116 375113078 /nfs/dbraw/zinc/11/30/78/375113078.db2.gz CNBFWZXXESBVQJ-JSGCOSHPSA-N 1 0 283.437 3.093 10 0 CGAERO C[C@H]1[NH2+]CCC[C@@H]1c1nc(Cc2ccccc2Cl)no1 ZINC000335457622 375307316 /nfs/dbraw/zinc/30/73/16/375307316.db2.gz PNZJSYBAENBFMU-PWSUYJOCSA-N 1 0 291.782 3.169 10 0 CGAERO CCc1cccc(C[NH+]2CCC(c3ccnn3C)CC2)c1 ZINC000188994544 375307449 /nfs/dbraw/zinc/30/74/49/375307449.db2.gz LLBXNFMJLWIZKQ-UHFFFAOYSA-N 1 0 283.419 3.362 10 0 CGAERO CCn1nc(C)c(C[NH2+]C[C@H]2CCO[C@@H]2C(C)(C)C)c1C ZINC000189237699 375346657 /nfs/dbraw/zinc/34/66/57/375346657.db2.gz ZSCRDCBXFXJZHG-ZBFHGGJFSA-N 1 0 293.455 3.061 10 0 CGAERO COc1ccc(Cl)c(C[NH2+][C@H](C)[C@@H]2CCCO2)c1 ZINC000192180681 375707437 /nfs/dbraw/zinc/70/74/37/375707437.db2.gz MMBJHMDUOLBFMG-YGRLFVJLSA-N 1 0 269.772 3.006 10 0 CGAERO Cc1cnn(CC[NH2+][C@H]2C[C@@H](C)c3ccccc32)c1 ZINC000336815023 375968808 /nfs/dbraw/zinc/96/88/08/375968808.db2.gz 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[NH3+][C@H](CC(F)F)c1ccc(Br)c(F)c1 ZINC000575437388 393199164 /nfs/dbraw/zinc/19/91/64/393199164.db2.gz DNIYBHNFCXGBJR-MRVPVSSYSA-N 1 0 268.076 3.243 10 0 CGAERO CCCO[C@H]1CCCN(c2ccccc2[C@@H](C)[NH3+])C1 ZINC000042422837 134890135 /nfs/dbraw/zinc/89/01/35/134890135.db2.gz TWWQZLYQPBCMOV-KGLIPLIRSA-N 1 0 262.397 3.102 10 0 CGAERO CC[C@@H]1C[NH2+][C@H](C)CN1c1cc(Cl)ccc1F ZINC000083418410 135020299 /nfs/dbraw/zinc/02/02/99/135020299.db2.gz CYCRQLNFZSBPPR-MWLCHTKSSA-N 1 0 256.752 3.056 10 0 CGAERO CC[C@H]1C[NH2+]CCN1c1c(Cl)cccc1Cl ZINC000083431262 135020824 /nfs/dbraw/zinc/02/08/24/135020824.db2.gz GMEZLESZZUIVOW-VIFPVBQESA-N 1 0 259.180 3.182 10 0 CGAERO Cc1ccc(N2C[C@H](C(C)C)[NH2+]C[C@@H]2C)cc1Cl ZINC000083493711 135024545 /nfs/dbraw/zinc/02/45/45/135024545.db2.gz DKTDBUIMNVAIMA-SWLSCSKDSA-N 1 0 266.816 3.471 10 0 CGAERO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1c1c(F)cccc1F ZINC000083510460 135025329 /nfs/dbraw/zinc/02/53/29/135025329.db2.gz VNUCQXQSZPECIM-SMDDNHRTSA-N 1 0 268.351 3.178 10 0 CGAERO CC(C)[C@@H]1CN(c2ccc(F)cc2Cl)[C@@H](C)C[NH2+]1 ZINC000083518084 135026696 /nfs/dbraw/zinc/02/66/96/135026696.db2.gz RGUHOMHYDXJLIX-GWCFXTLKSA-N 1 0 270.779 3.302 10 0 CGAERO CCC[C@@H]1CN(c2cccc(C(F)(F)F)c2)CC[NH2+]1 ZINC000086123760 135039472 /nfs/dbraw/zinc/03/94/72/135039472.db2.gz OFPBLNVFJAGYQI-GFCCVEGCSA-N 1 0 272.314 3.284 10 0 CGAERO CCC[C@]1(C)[C@H]([NH3+])[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]21 ZINC000669382505 543104012 /nfs/dbraw/zinc/10/40/12/543104012.db2.gz BGZBNKWZOMPSQP-BRXULGCHSA-N 1 0 282.428 3.149 10 0 CGAERO CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)C1CCC([NH3+])CC1 ZINC000037626962 397608265 /nfs/dbraw/zinc/60/82/65/397608265.db2.gz MAFKOTHDWMLHMD-WUCCLRPBSA-N 1 0 280.456 3.225 10 0 CGAERO C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C1CCC([NH3+])CC1 ZINC000037804064 397609231 /nfs/dbraw/zinc/60/92/31/397609231.db2.gz KFPCHVQSJMORGF-ZBOXLXRLSA-N 1 0 296.361 3.002 10 0 CGAERO COc1ncc(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000388373428 397690946 /nfs/dbraw/zinc/69/09/46/397690946.db2.gz KKPSOAXAKZEWKL-BDAKNGLRSA-N 1 0 294.342 3.362 10 0 CGAERO CC(C)c1ccc([C@H](C)[NH2+][C@@H]2CN(C)C[C@H]2C)cc1 ZINC000674877481 543301697 /nfs/dbraw/zinc/30/16/97/543301697.db2.gz UNCPGUSPZHVKMN-JKIFEVAISA-N 1 0 260.425 3.411 10 0 CGAERO C[C@@H]([NH3+])c1ccc(-c2ccc(F)c(N)c2F)cc1F ZINC000675056106 543311719 /nfs/dbraw/zinc/31/17/19/543311719.db2.gz CGVAWGYVRXOMHT-SSDOTTSWSA-N 1 0 266.266 3.373 10 0 CGAERO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccc(Cl)o1 ZINC000678291247 543511975 /nfs/dbraw/zinc/51/19/75/543511975.db2.gz IQKLGYKEHLHSLR-STQMWFEESA-N 1 0 282.815 3.382 10 0 CGAERO Cc1ccc([C@H](C)NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])c(C)c1 ZINC000261688625 292241811 /nfs/dbraw/zinc/24/18/11/292241811.db2.gz NBMXYTGLYVVVEA-YQQAZPJKSA-N 1 0 288.435 3.388 10 0 CGAERO C[C@H](CC[NH2+][C@H](C)c1ccncc1)NC(=O)OC(C)(C)C ZINC000180517178 298441411 /nfs/dbraw/zinc/44/14/11/298441411.db2.gz RGLIEQGQTKOGJU-CHWSQXEVSA-N 1 0 293.411 3.036 10 0 CGAERO CCCN(CCC)C(=O)C[NH2+][C@@H](CC)c1ccccc1 ZINC000066109845 165035457 /nfs/dbraw/zinc/03/54/57/165035457.db2.gz UQSUBNSQQIXVQI-INIZCTEOSA-N 1 0 276.424 3.376 10 0 CGAERO CC(C)[NH2+]C[C@H]1CCN(C)[C@@H]1c1cccc(Cl)c1 ZINC000070281682 165058340 /nfs/dbraw/zinc/05/83/40/165058340.db2.gz PJQYDTHPOAWOEL-UKRRQHHQSA-N 1 0 266.816 3.331 10 0 CGAERO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1nnc(C2CC2)n1C ZINC000072775694 165075658 /nfs/dbraw/zinc/07/56/58/165075658.db2.gz VBZRVBFCOCPFHQ-GXTWGEPZSA-N 1 0 276.428 3.093 10 0 CGAERO COCCCC[N@@H+]1C[C@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000076390618 165111862 /nfs/dbraw/zinc/11/18/62/165111862.db2.gz JBQIGYXHACELQZ-GOEBONIOSA-N 1 0 277.408 3.300 10 0 CGAERO Cc1cc(C[N@H+]2[C@H](C)COC[C@@H]2C)c2ccccc2n1 ZINC000077369041 165121848 /nfs/dbraw/zinc/12/18/48/165121848.db2.gz JEAAJZCYKSIDET-OKILXGFUSA-N 1 0 270.376 3.152 10 0 CGAERO C[C@@H](NC(=O)[C@@H]1CCCCC[NH2+]1)c1ccccc1Cl ZINC000080998773 165159524 /nfs/dbraw/zinc/15/95/24/165159524.db2.gz SFYFBEPPQOBZML-RISCZKNCSA-N 1 0 280.799 3.049 10 0 CGAERO CCN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@@H](C)c1ccc(F)cc1 ZINC000089457107 165208194 /nfs/dbraw/zinc/20/81/94/165208194.db2.gz VXVIJMONYYXHGZ-JGGQBBKZSA-N 1 0 292.398 3.110 10 0 CGAERO CCn1cccc1C[NH2+][C@H]1CCc2ccccc2C1 ZINC000091127637 165257977 /nfs/dbraw/zinc/25/79/77/165257977.db2.gz WRAUNGXAOHXBBE-INIZCTEOSA-N 1 0 254.377 3.155 10 0 CGAERO CCC[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1ccc(Cl)cc1 ZINC000091667029 165265600 /nfs/dbraw/zinc/26/56/00/165265600.db2.gz WLRURNVUXCWMGU-HZPDHXFCSA-N 1 0 296.842 3.101 10 0 CGAERO Oc1cccc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000092788876 165313455 /nfs/dbraw/zinc/31/34/55/165313455.db2.gz STRFFUKWLSYWBA-CYBMUJFWSA-N 1 0 274.389 3.228 10 0 CGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(C)s1 ZINC000094449383 165348966 /nfs/dbraw/zinc/34/89/66/165348966.db2.gz QQMPEQQTPLMMEA-UONOGXRCSA-N 1 0 264.438 3.115 10 0 CGAERO Cc1nnc(C[NH+]2CCC3(CCCCC3)CC2)n1C1CC1 ZINC000102410673 165414723 /nfs/dbraw/zinc/41/47/23/165414723.db2.gz IKGCCDGDCDNRJN-UHFFFAOYSA-N 1 0 288.439 3.468 10 0 CGAERO C[C@@H]([NH2+]C1CCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000110551180 287131707 /nfs/dbraw/zinc/13/17/07/287131707.db2.gz PVQMENTVSHGMEF-CHWSQXEVSA-N 1 0 282.428 3.164 10 0 CGAERO Cc1scc(C(=O)N2CCC([NH+]3CCCC3)CC2)c1C ZINC000180012320 165650695 /nfs/dbraw/zinc/65/06/95/165650695.db2.gz WGOTUIKXNCHMPD-UHFFFAOYSA-N 1 0 292.448 3.065 10 0 CGAERO CC(C)(C)[NH2+]C[C@H](O)c1cc(Cl)c(Cl)s1 ZINC000003643827 169905388 /nfs/dbraw/zinc/90/53/88/169905388.db2.gz MRKNDBCEHBGWKI-ZETCQYMHSA-N 1 0 268.209 3.476 10 0 CGAERO C[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000005966271 170163705 /nfs/dbraw/zinc/16/37/05/170163705.db2.gz NNEZPRJPBBKDSR-UHFFFAOYSA-N 1 0 252.155 3.168 10 0 CGAERO C[C@@H](NC(=O)C[NH+](C)C)c1ccc(-c2ccccc2)cc1 ZINC000010052452 170396853 /nfs/dbraw/zinc/39/68/53/170396853.db2.gz VGJANRAUTRZUET-CQSZACIVSA-N 1 0 282.387 3.092 10 0 CGAERO C[C@@H](C[NH3+])Oc1c(Cl)cc(Br)cc1Cl ZINC000011946923 170460135 /nfs/dbraw/zinc/46/01/35/170460135.db2.gz NKDQRNQABNQLIP-YFKPBYRVSA-N 1 0 298.995 3.482 10 0 CGAERO C[C@H]([NH3+])c1cccc(NC(=O)c2c(F)cccc2F)c1 ZINC000019393758 170782165 /nfs/dbraw/zinc/78/21/65/170782165.db2.gz LTQHDMFHOFZRKR-VIFPVBQESA-N 1 0 276.286 3.237 10 0 CGAERO [NH3+]CCCC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000019478513 170808644 /nfs/dbraw/zinc/80/86/44/170808644.db2.gz MNIVVIZWYWQYEU-UHFFFAOYSA-N 1 0 281.570 3.324 10 0 CGAERO Cc1[nH]c2ccc(Br)cc2c1[C@@H](C)[NH3+] ZINC000019725432 170845285 /nfs/dbraw/zinc/84/52/85/170845285.db2.gz YSLJWBSTAFKDLM-ZCFIWIBFSA-N 1 0 253.143 3.259 10 0 CGAERO C[C@@H]([NH3+])c1c(F)cccc1Oc1ccc2c(c1)OCO2 ZINC000019873072 170902765 /nfs/dbraw/zinc/90/27/65/170902765.db2.gz OQHBONDDTJSWQJ-SECBINFHSA-N 1 0 275.279 3.366 10 0 CGAERO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H]1CN2CCC1CC2 ZINC000019946260 170936920 /nfs/dbraw/zinc/93/69/20/170936920.db2.gz YOKRKISHRPLSCM-QSPRXWTASA-N 1 0 264.457 3.131 10 0 CGAERO CCOc1ccc(C[NH2+][C@H](C)c2ccncc2)cc1 ZINC000020120994 171000252 /nfs/dbraw/zinc/00/02/52/171000252.db2.gz KYDMTBSQNRDHRC-CYBMUJFWSA-N 1 0 256.349 3.331 10 0 CGAERO C=COCCC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000020197043 171061415 /nfs/dbraw/zinc/06/14/15/171061415.db2.gz WMVYQPLHUHIJSR-UHFFFAOYSA-N 1 0 259.271 3.345 10 0 CGAERO Cc1cccc(CN(C)[C@H](C[NH3+])c2cccs2)c1 ZINC000020225311 171087404 /nfs/dbraw/zinc/08/74/04/171087404.db2.gz XTDRIFYYJPHUCR-CQSZACIVSA-N 1 0 260.406 3.188 10 0 CGAERO CN(Cc1cccc(Cl)c1)[C@H](C[NH3+])c1ccco1 ZINC000020225255 171087516 /nfs/dbraw/zinc/08/75/16/171087516.db2.gz SHLXFJWAFMPJJM-CYBMUJFWSA-N 1 0 264.756 3.065 10 0 CGAERO CN(Cc1ccccc1F)[C@@H](C[NH3+])c1ccccc1F ZINC000020225600 171088500 /nfs/dbraw/zinc/08/85/00/171088500.db2.gz ZWZSKUVKVOYNQB-INIZCTEOSA-N 1 0 276.330 3.097 10 0 CGAERO Cc1ccc([C@@H](C[NH3+])N(C)Cc2cccc(C)c2)cc1 ZINC000020225543 171089072 /nfs/dbraw/zinc/08/90/72/171089072.db2.gz IAXBZORGQGKGMT-GOSISDBHSA-N 1 0 268.404 3.435 10 0 CGAERO CN(Cc1cccc(F)c1)[C@H](C[NH3+])c1ccsc1 ZINC000020266443 171122975 /nfs/dbraw/zinc/12/29/75/171122975.db2.gz SKPUDVLFPSLWGQ-CQSZACIVSA-N 1 0 264.369 3.019 10 0 CGAERO C[C@@H]([NH3+])c1ccccc1N(C)Cc1cccc(F)c1 ZINC000020266766 171123654 /nfs/dbraw/zinc/12/36/54/171123654.db2.gz SZECCGFHQRFHPZ-GFCCVEGCSA-N 1 0 258.340 3.482 10 0 CGAERO CCCCCC[NH2+]CCc1ccc(OC)c(OC)c1 ZINC000020361381 171160259 /nfs/dbraw/zinc/16/02/59/171160259.db2.gz LXVMXPDKWLJMJK-UHFFFAOYSA-N 1 0 265.397 3.416 10 0 CGAERO COc1ccc2oc([C@@H]([NH3+])c3ccccc3)cc2c1 ZINC000020389589 171178483 /nfs/dbraw/zinc/17/84/83/171178483.db2.gz YRDGOSYEQWEBHG-INIZCTEOSA-N 1 0 253.301 3.490 10 0 CGAERO CCOc1ccccc1[C@@H]([NH3+])COC(C)(C)CC ZINC000020511922 171231117 /nfs/dbraw/zinc/23/11/17/171231117.db2.gz SGOBXVXHLYSQFK-ZDUSSCGKSA-N 1 0 251.370 3.290 10 0 CGAERO COC(C)(C)C[C@@H](C)[NH2+]CCc1ccccc1F ZINC000020524325 171237364 /nfs/dbraw/zinc/23/73/64/171237364.db2.gz AZOLIEPOKDBVCE-GFCCVEGCSA-N 1 0 253.361 3.161 10 0 CGAERO C[C@@H]1CCC[C@H](C)C1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000020549935 171246539 /nfs/dbraw/zinc/24/65/39/171246539.db2.gz DPDUBKNTTXKYDU-HBBFGDNQSA-N 1 0 261.365 3.330 10 0 CGAERO CC(C)c1cccc(NC(=O)C[C@H]2CCCC[NH2+]2)c1 ZINC000020597556 171266392 /nfs/dbraw/zinc/26/63/92/171266392.db2.gz QLLKANBRZNLNLV-CQSZACIVSA-N 1 0 260.381 3.281 10 0 CGAERO COc1c(Cl)cc(C[NH2+]C[C@H]2CCCO2)cc1Cl ZINC000020928337 171280354 /nfs/dbraw/zinc/28/03/54/171280354.db2.gz QRAMJLWUSAVZPY-SNVBAGLBSA-N 1 0 290.190 3.271 10 0 CGAERO C[N@H+](Cc1ccccc1)[C@H]1CCCN(Cc2ccncc2)C1 ZINC000020993383 171283916 /nfs/dbraw/zinc/28/39/16/171283916.db2.gz UECIJUJZLGJQHF-IBGZPJMESA-N 1 0 295.430 3.178 10 0 CGAERO CC(C)C[C@H](C[NH2+]C1CCCCCCC1)N1CCOCC1 ZINC000021800532 171325819 /nfs/dbraw/zinc/32/58/19/171325819.db2.gz RTDQNOULEJRDGC-GOSISDBHSA-N 1 0 296.499 3.436 10 0 CGAERO Nc1cc(F)ccc1NC(=O)CCC[NH+]1CCCCCC1 ZINC000022152635 171359570 /nfs/dbraw/zinc/35/95/70/171359570.db2.gz UXMNVTAVTZIRCQ-UHFFFAOYSA-N 1 0 293.386 3.003 10 0 CGAERO CCC[NH+](CCC)CCC(=O)Nc1cc(Cl)ccc1N ZINC000022153881 171360937 /nfs/dbraw/zinc/36/09/37/171360937.db2.gz WVHZKVHWCVQNAK-UHFFFAOYSA-N 1 0 297.830 3.373 10 0 CGAERO [NH3+]C[C@H](c1ccc(F)c(F)c1)N1CCc2ccccc21 ZINC000022175048 171369634 /nfs/dbraw/zinc/36/96/34/171369634.db2.gz WFJICEOEDLMPIH-MRXNPFEDSA-N 1 0 274.314 3.027 10 0 CGAERO CCN(c1ccccc1)[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000022212193 171373786 /nfs/dbraw/zinc/37/37/86/171373786.db2.gz DXXHOMMONVWJKU-QGZVFWFLSA-N 1 0 270.376 3.222 10 0 CGAERO C[C@H]1CCCN([C@@H](C[NH3+])c2cccc(C(F)(F)F)c2)C1 ZINC000022215291 171375380 /nfs/dbraw/zinc/37/53/80/171375380.db2.gz APMYXQCJHDNXQZ-FZMZJTMJSA-N 1 0 286.341 3.437 10 0 CGAERO C[N@H+](CCCC(=O)Nc1cccc(N)c1)C1CCCCC1 ZINC000022222915 171379385 /nfs/dbraw/zinc/37/93/85/171379385.db2.gz MFZDWTQMQSICOE-UHFFFAOYSA-N 1 0 289.423 3.252 10 0 CGAERO C[C@@H]([NH3+])c1ccccc1NC(=O)Cc1ccc(F)cc1 ZINC000022223807 171379682 /nfs/dbraw/zinc/37/96/82/171379682.db2.gz ZSYZUNDCWBMOGO-LLVKDONJSA-N 1 0 272.323 3.027 10 0 CGAERO Cc1ccc(OC[C@H]([NH3+])c2ccc3c(c2)OCO3)cc1C ZINC000022563409 171391475 /nfs/dbraw/zinc/39/14/75/171391475.db2.gz JMQIWXGGCQBINX-HNNXBMFYSA-N 1 0 285.343 3.111 10 0 CGAERO COc1ccc([C@@H]([NH3+])COc2cccc(C)c2C)cc1 ZINC000022565577 171392036 /nfs/dbraw/zinc/39/20/36/171392036.db2.gz QPHZPZNIFCCURV-INIZCTEOSA-N 1 0 271.360 3.391 10 0 CGAERO COc1ccccc1[C@H]([NH3+])COc1cc(C)ccc1C ZINC000022566341 171392705 /nfs/dbraw/zinc/39/27/05/171392705.db2.gz CYWRNQAWESLSTM-OAHLLOKOSA-N 1 0 271.360 3.391 10 0 CGAERO CC[C@@]1(O)CC[N@@H+]2CCCC[C@@H]2[C@H]1c1ccccc1 ZINC000028645473 171568569 /nfs/dbraw/zinc/56/85/69/171568569.db2.gz PMODHOFYEUCEAT-BRWVUGGUSA-N 1 0 259.393 3.170 10 0 CGAERO CCC[NH+](CCC)CCc1cccc(NC(C)=O)c1 ZINC000029320362 171593737 /nfs/dbraw/zinc/59/37/37/171593737.db2.gz WMZYMPUNVVQYPI-UHFFFAOYSA-N 1 0 262.397 3.310 10 0 CGAERO Fc1ccc(C[NH2+]CCOc2ccc(F)cc2)cc1 ZINC000032112863 171706145 /nfs/dbraw/zinc/70/61/45/171706145.db2.gz WHTCYIDIFLCFAW-UHFFFAOYSA-N 1 0 263.287 3.133 10 0 CGAERO CCOCC[NH2+]CCc1ccc(Cl)cc1Cl ZINC000035098236 171976893 /nfs/dbraw/zinc/97/68/93/171976893.db2.gz UGVNNOCZRUBFEE-UHFFFAOYSA-N 1 0 262.180 3.162 10 0 CGAERO C[N@H+](Cc1ccccc1)[C@@H]1CCc2ccccc2[C@@H]1N ZINC000035206685 172051108 /nfs/dbraw/zinc/05/11/08/172051108.db2.gz ZDXTUGFXXWOJJA-MSOLQXFVSA-N 1 0 266.388 3.133 10 0 CGAERO Cc1cc(C)c(C[NH2+]C[C@H](C(C)C)N(C)C)cc1C ZINC000035258496 172090133 /nfs/dbraw/zinc/09/01/33/172090133.db2.gz YRSXAHIEJYIJPC-QGZVFWFLSA-N 1 0 262.441 3.288 10 0 CGAERO [NH3+]Cc1c(Oc2cccc(Cl)c2)nc2sccn21 ZINC000035430689 172198859 /nfs/dbraw/zinc/19/88/59/172198859.db2.gz ULGTYECVGZOGGR-UHFFFAOYSA-N 1 0 279.752 3.300 10 0 CGAERO CC[NH2+]Cc1c(N(CC)[C@H](C)CC)nc2sccn12 ZINC000035430231 172199058 /nfs/dbraw/zinc/19/90/58/172199058.db2.gz AZXCVCKOFBARCL-LLVKDONJSA-N 1 0 280.441 3.130 10 0 CGAERO C[NH2+][C@H](c1ccc(OC)c(Br)c1)[C@H]1C[C@@H]1C ZINC000035455803 172206619 /nfs/dbraw/zinc/20/66/19/172206619.db2.gz QHEFXLLNNNDEIV-GMOODISLSA-N 1 0 284.197 3.374 10 0 CGAERO C[NH2+][C@H](c1ccc(C)s1)c1ccc(OC)c(OC)c1 ZINC000035459245 172208559 /nfs/dbraw/zinc/20/85/59/172208559.db2.gz CVQHXUBEBXLQJI-HNNXBMFYSA-N 1 0 277.389 3.383 10 0 CGAERO CC[NH2+][C@@H](c1ccc(OC)c(OC)c1)[C@H](C)CC ZINC000035539546 172245285 /nfs/dbraw/zinc/24/52/85/172245285.db2.gz YEJGPLFAFWGDNA-IAQYHMDHSA-N 1 0 251.370 3.401 10 0 CGAERO CC[NH2+][C@H](CC(C)C)c1ccc(OC)cc1OC ZINC000035546102 172254469 /nfs/dbraw/zinc/25/44/69/172254469.db2.gz YMUVMAQXMALLDH-CQSZACIVSA-N 1 0 251.370 3.401 10 0 CGAERO CC[NH2+][C@@H](c1ccoc1C)c1ccc(OC)c(F)c1 ZINC000035572078 172267974 /nfs/dbraw/zinc/26/79/74/172267974.db2.gz FWOJPNHXYRZZSN-OAHLLOKOSA-N 1 0 263.312 3.435 10 0 CGAERO CC[NH2+][C@H](c1cc2c(cc1Cl)NC(=O)C2)C(C)C ZINC000035571935 172268159 /nfs/dbraw/zinc/26/81/59/172268159.db2.gz YOYOQQFSEHPBON-AWEZNQCLSA-N 1 0 266.772 3.141 10 0 CGAERO CCC[NH2+][C@H](c1ccc(OC)c(OC)c1)[C@H]1C[C@@H]1C ZINC000035574643 172271575 /nfs/dbraw/zinc/27/15/75/172271575.db2.gz BAIQRYDGQZILEU-DETPVDSQSA-N 1 0 263.381 3.401 10 0 CGAERO CCC[NH2+][C@@H](c1cc(F)ccc1F)[C@@H]1CCCO1 ZINC000035580299 172276614 /nfs/dbraw/zinc/27/66/14/172276614.db2.gz NILNWONGEGAULY-KBPBESRZSA-N 1 0 255.308 3.185 10 0 CGAERO CCC[NH2+][C@H](c1ccncc1)c1ccc(F)c(F)c1 ZINC000035582419 172280407 /nfs/dbraw/zinc/28/04/07/172280407.db2.gz WYMAGJLZGJFBRZ-OAHLLOKOSA-N 1 0 262.303 3.449 10 0 CGAERO CCC[NH2+][C@@H](C)c1ccc(NC(=O)OCC)cc1 ZINC000035645979 172322930 /nfs/dbraw/zinc/32/29/30/172322930.db2.gz LJLDHFDMKRGTSH-NSHDSACASA-N 1 0 250.342 3.316 10 0 CGAERO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2ccncc2)cc1 ZINC000035647978 172324834 /nfs/dbraw/zinc/32/48/34/172324834.db2.gz PWIWENHMKZNANP-UONOGXRCSA-N 1 0 270.376 3.372 10 0 CGAERO Cc1ccc(C[N@@H+](C)Cc2ccc(Cl)c(N)c2)o1 ZINC000035698953 172366632 /nfs/dbraw/zinc/36/66/32/172366632.db2.gz UDQIKHRWTQHQJW-UHFFFAOYSA-N 1 0 264.756 3.456 10 0 CGAERO [NH3+]Cc1ccc(Sc2nncs2)cc1C(F)(F)F ZINC000035720227 172374646 /nfs/dbraw/zinc/37/46/46/172374646.db2.gz RSTCXEQEKZGMFA-UHFFFAOYSA-N 1 0 291.323 3.167 10 0 CGAERO COc1ccc(SCc2ccccc2C[NH3+])cc1 ZINC000035723755 172378639 /nfs/dbraw/zinc/37/86/39/172378639.db2.gz ARDXPWALASPILH-UHFFFAOYSA-N 1 0 259.374 3.446 10 0 CGAERO [NH3+]C[C@H]1CCCC[C@H]1Sc1nc2ccccc2[nH]1 ZINC000035723677 172378998 /nfs/dbraw/zinc/37/89/98/172378998.db2.gz PLTNTMOHAKOOQU-ZWNOBZJWSA-N 1 0 261.394 3.173 10 0 CGAERO C[C@H]1CSc2c(Br)cccc2[C@@H]1[NH3+] ZINC000035755535 172396420 /nfs/dbraw/zinc/39/64/20/172396420.db2.gz DMVBLYBXBCAOKD-IMTBSYHQSA-N 1 0 258.184 3.191 10 0 CGAERO Cc1cnn(C)c1C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000285369693 196262844 /nfs/dbraw/zinc/26/28/44/196262844.db2.gz FWFKBYNBMQMLCD-JTQLQIEISA-N 1 0 281.762 3.372 10 0 CGAERO C=Cc1cncc2cccc(NC3CC[NH2+]CC3)c12 ZINC000036428184 172635772 /nfs/dbraw/zinc/63/57/72/172635772.db2.gz IPUKKTKWUIEVTQ-UHFFFAOYSA-N 1 0 253.349 3.042 10 0 CGAERO CC[C@@H](C)C[N@H+](C)[C@@H](CN)c1ccc(Br)cc1 ZINC000037172660 173007120 /nfs/dbraw/zinc/00/71/20/173007120.db2.gz JHLLZLKGRAEGSJ-RISCZKNCSA-N 1 0 299.256 3.427 10 0 CGAERO CCC[NH2+]Cc1cc(F)ccc1-n1nc(C)cc1C ZINC000037236856 173054002 /nfs/dbraw/zinc/05/40/02/173054002.db2.gz ZFIQQBQXPAMJPY-UHFFFAOYSA-N 1 0 261.344 3.128 10 0 CGAERO Cc1cn(Cc2cccc(C[NH3+])c2)c2ccccc12 ZINC000037245162 173059579 /nfs/dbraw/zinc/05/95/79/173059579.db2.gz UWIQDECWDFFZEW-UHFFFAOYSA-N 1 0 250.345 3.457 10 0 CGAERO [NH3+]CCCN(C(=O)CC1CCCCC1)C1CCCC1 ZINC000037299093 173103537 /nfs/dbraw/zinc/10/35/37/173103537.db2.gz SPFHZBJXBIIYCW-UHFFFAOYSA-N 1 0 266.429 3.077 10 0 CGAERO O[C@H](c1ccc(-c2ccccc2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000037327938 173128792 /nfs/dbraw/zinc/12/87/92/173128792.db2.gz UZDOUDBZWJAUPI-QZTJIDSGSA-N 1 0 267.372 3.387 10 0 CGAERO Cc1ccccc1[C@@H]([NH3+])c1ccc2c(c1)CCCC(=O)N2 ZINC000037371293 173159938 /nfs/dbraw/zinc/15/99/38/173159938.db2.gz QUOZWTIBWBIZJY-SFHVURJKSA-N 1 0 280.371 3.318 10 0 CGAERO [NH3+][C@@H](c1ccccc1)c1ccc2c(c1)CCCC(=O)N2 ZINC000037371255 173160374 /nfs/dbraw/zinc/16/03/74/173160374.db2.gz ZRHRSHFZHFDKMN-KRWDZBQOSA-N 1 0 266.344 3.010 10 0 CGAERO CCCOc1ccc(CC[NH3+])c(OC/C=C/Cl)c1 ZINC000037719782 173637926 /nfs/dbraw/zinc/63/79/26/173637926.db2.gz OVIHCBDALWWSPA-XVNBXDOJSA-N 1 0 269.772 3.108 10 0 CGAERO COc1ccc(C[C@@H](C)[NH3+])cc1OCCC(C)C ZINC000037728030 173647179 /nfs/dbraw/zinc/64/71/79/173647179.db2.gz UERISYYUPNOASV-GFCCVEGCSA-N 1 0 251.370 3.010 10 0 CGAERO CC(C)CCC[NH2+]C[C@H](O)COc1cccc(Cl)c1 ZINC000037984798 173945958 /nfs/dbraw/zinc/94/59/58/173945958.db2.gz ZUWASEMOOGBTSQ-AWEZNQCLSA-N 1 0 285.815 3.106 10 0 CGAERO CC(C)CCC[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC000037998513 173960923 /nfs/dbraw/zinc/96/09/23/173960923.db2.gz YKDRNCLQVHICHL-AWEZNQCLSA-N 1 0 257.324 3.024 10 0 CGAERO Cc1ccc([C@H](C)[NH2+]Cc2ccnc(C)n2)c(C)c1 ZINC000038037395 174037577 /nfs/dbraw/zinc/03/75/77/174037577.db2.gz ASANJXOBMRKFAP-ZDUSSCGKSA-N 1 0 255.365 3.253 10 0 CGAERO C[NH2+][C@@H](c1occc1C)c1ccc2c(c1)CCCO2 ZINC000038057880 174068408 /nfs/dbraw/zinc/06/84/08/174068408.db2.gz LZRABQWMYBMXGG-OAHLLOKOSA-N 1 0 257.333 3.222 10 0 CGAERO CC(C)Cc1ccc([C@@H](C)N2CCC[NH2+]CC2)cc1 ZINC000038086992 174098850 /nfs/dbraw/zinc/09/88/50/174098850.db2.gz KHZNQQLBYXEGFH-OAHLLOKOSA-N 1 0 260.425 3.241 10 0 CGAERO C[NH2+][C@@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000039208183 174165574 /nfs/dbraw/zinc/16/55/74/174165574.db2.gz VXAFRUXZOFZTNG-QGZVFWFLSA-N 1 0 266.344 3.485 10 0 CGAERO COCCCn1c2ccccc2nc1[C@@H]([NH3+])CC(C)C ZINC000040163871 174196705 /nfs/dbraw/zinc/19/67/05/174196705.db2.gz FLQSKBOFLFKQLR-ZDUSSCGKSA-N 1 0 275.396 3.119 10 0 CGAERO C[NH+](C)CCCn1c2ccccc2nc1-c1ccco1 ZINC000040389656 174252394 /nfs/dbraw/zinc/25/23/94/174252394.db2.gz YUXRIRDXFGMOSM-UHFFFAOYSA-N 1 0 269.348 3.248 10 0 CGAERO CCc1nc2ccc(Cl)cc2n1CCC[NH+](C)C ZINC000040404146 174253818 /nfs/dbraw/zinc/25/38/18/174253818.db2.gz BMSXEOILMBNSHB-UHFFFAOYSA-N 1 0 265.788 3.204 10 0 CGAERO CC(C)Oc1ccc2ccccc2c1C[NH2+]CCCO ZINC000040743742 174390998 /nfs/dbraw/zinc/39/09/98/174390998.db2.gz JFMNFAQXCTWHIL-UHFFFAOYSA-N 1 0 273.376 3.099 10 0 CGAERO Cc1cc(OCc2ccc(C[NH3+])o2)ccc1Cl ZINC000041321654 174518203 /nfs/dbraw/zinc/51/82/03/174518203.db2.gz MSHSHROQNMSHKJ-UHFFFAOYSA-N 1 0 251.713 3.279 10 0 CGAERO Fc1ccc2sc(C[NH2+]C[C@H]3CCCO3)cc2c1 ZINC000042530051 174780167 /nfs/dbraw/zinc/78/01/67/174780167.db2.gz DAXZKZFOORRQLI-GFCCVEGCSA-N 1 0 265.353 3.309 10 0 CGAERO CC(C)C[N@H+](CCCOc1ccccc1N)C(C)C ZINC000042562377 174797378 /nfs/dbraw/zinc/79/73/78/174797378.db2.gz OPGBYPJJQHXUSR-UHFFFAOYSA-N 1 0 264.413 3.404 10 0 CGAERO COc1ccc(S[C@H](C[NH3+])c2ccccc2)cc1 ZINC000042900318 174905422 /nfs/dbraw/zinc/90/54/22/174905422.db2.gz OXVZTGBQCKEJNX-OAHLLOKOSA-N 1 0 259.374 3.487 10 0 CGAERO Cc1csc(S[C@H](C[NH3+])c2ccc(F)cc2)n1 ZINC000042943340 174918972 /nfs/dbraw/zinc/91/89/72/174918972.db2.gz UAPNAMMXPMHDFP-LLVKDONJSA-N 1 0 268.382 3.383 10 0 CGAERO CCCCOCCO[C@H](c1cccc(C)c1)[C@H](C)[NH3+] ZINC000042968902 174932371 /nfs/dbraw/zinc/93/23/71/174932371.db2.gz IASJUVZIWXMYIS-HOCLYGCPSA-N 1 0 265.397 3.217 10 0 CGAERO Cc1ccccc1[C@H](C[NH3+])Oc1ccc(F)cc1F ZINC000043038244 174952955 /nfs/dbraw/zinc/95/29/55/174952955.db2.gz PHKJRSQCFIKCCW-HNNXBMFYSA-N 1 0 263.287 3.352 10 0 CGAERO CCOC(=O)CS[C@@H](c1ccccc1C)[C@@H]([NH3+])CC ZINC000043041751 174953602 /nfs/dbraw/zinc/95/36/02/174953602.db2.gz BGUONRPLYIAXJJ-ZFWWWQNUSA-N 1 0 281.421 3.070 10 0 CGAERO CC[C@@H]([NH3+])[C@H](SCCOC)c1ccccc1Cl ZINC000043089781 174963726 /nfs/dbraw/zinc/96/37/26/174963726.db2.gz RVMPINGKMKVPID-CHWSQXEVSA-N 1 0 273.829 3.498 10 0 CGAERO CCCCCO[C@@H](c1ccccc1OC)[C@@H](C)[NH3+] ZINC000043100228 174967269 /nfs/dbraw/zinc/96/72/69/174967269.db2.gz VIAPYHFXEUBGQY-IUODEOHRSA-N 1 0 251.370 3.290 10 0 CGAERO CC[N@H+](Cc1ccc(Br)s1)[C@@H](C)COC ZINC000043678410 175088802 /nfs/dbraw/zinc/08/88/02/175088802.db2.gz CMTFPXDWVKYNJF-VIFPVBQESA-N 1 0 292.242 3.367 10 0 CGAERO CC[NH+]1CCC(CNc2ccc(N)cc2Cl)CC1 ZINC000044516971 175190535 /nfs/dbraw/zinc/19/05/35/175190535.db2.gz DGDPQHNXOFTIPY-UHFFFAOYSA-N 1 0 267.804 3.066 10 0 CGAERO CCCn1nc(C[NH2+]C(C)(C)C)c(-c2ccccc2)n1 ZINC000045944919 175387309 /nfs/dbraw/zinc/38/73/09/175387309.db2.gz MCAZYMAFVSESCL-UHFFFAOYSA-N 1 0 272.396 3.243 10 0 CGAERO CCCCCOC[C@H]1CC[C@H](C[NH2+]C(C)(C)C)O1 ZINC000052645603 175536411 /nfs/dbraw/zinc/53/64/11/175536411.db2.gz AGVAUWCOWNYMME-ZIAGYGMSSA-N 1 0 257.418 3.129 10 0 CGAERO C[C@@H]1[C@H](C)[NH2+][C@@H](C)[C@@H](C)N1Cc1ccc(Cl)cc1 ZINC000059206765 175631202 /nfs/dbraw/zinc/63/12/02/175631202.db2.gz GZDGWAQBEFNWHE-WUHRBBMRSA-N 1 0 266.816 3.299 10 0 CGAERO CC[NH2+]CCCCc1cc(Br)cs1 ZINC000070743444 176004714 /nfs/dbraw/zinc/00/47/14/176004714.db2.gz OCCYNGCZPQZLQU-UHFFFAOYSA-N 1 0 262.216 3.443 10 0 CGAERO O[C@@H](C[NH2+]Cc1sc2ccccc2c1Cl)C1CC1 ZINC000071302882 176114878 /nfs/dbraw/zinc/11/48/78/176114878.db2.gz CJDDRBRDWAMWDP-NSHDSACASA-N 1 0 281.808 3.415 10 0 CGAERO c1ccc2c(c1)cccc2[C@H]1C[NH2+]C[C@@H](C2CC2)O1 ZINC000071308824 176116087 /nfs/dbraw/zinc/11/60/87/176116087.db2.gz KMPPAXSSTUUYAI-DLBZAZTESA-N 1 0 253.345 3.279 10 0 CGAERO Clc1ccc([C@@H]2C[NH2+]C[C@H](C3CC3)O2)c(Cl)c1 ZINC000071308617 176116321 /nfs/dbraw/zinc/11/63/21/176116321.db2.gz FGWGISFDHRSZQI-OLZOCXBDSA-N 1 0 272.175 3.433 10 0 CGAERO CCCN(c1ccccc1C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000071332529 176125686 /nfs/dbraw/zinc/12/56/86/176125686.db2.gz QKEODRNRMWDAOD-LLVKDONJSA-N 1 0 272.314 3.284 10 0 CGAERO CC[NH2+]Cc1cc(C)ccc1OCc1cscn1 ZINC000071403854 176155264 /nfs/dbraw/zinc/15/52/64/176155264.db2.gz RKTZDEPNLGPIOG-UHFFFAOYSA-N 1 0 262.378 3.140 10 0 CGAERO CC(C)[C@@H]([NH3+])[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000071576729 176204651 /nfs/dbraw/zinc/20/46/51/176204651.db2.gz RDKDFZBHDVUULD-SJORKVTESA-N 1 0 255.361 3.370 10 0 CGAERO CC(C)[C@H]([NH3+])[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000071576726 176204725 /nfs/dbraw/zinc/20/47/25/176204725.db2.gz RDKDFZBHDVUULD-DLBZAZTESA-N 1 0 255.361 3.370 10 0 CGAERO CCOc1cc(C)c([C@@H](O)[C@H](C)[NH2+]C(C)C)cc1C ZINC000071597990 176221689 /nfs/dbraw/zinc/22/16/89/176221689.db2.gz BGCCHKGKFIAPSF-BBRMVZONSA-N 1 0 265.397 3.122 10 0 CGAERO O=C(c1ccc(Oc2ccccc2)cc1)[C@H]1CCC[NH2+]1 ZINC000071599090 176223334 /nfs/dbraw/zinc/22/33/34/176223334.db2.gz DQRQYQBOADXFRS-MRXNPFEDSA-N 1 0 267.328 3.414 10 0 CGAERO CCOc1ccc(C(=O)[C@@H]([NH2+]C)C(C)C)cc1Cl ZINC000071601017 176227702 /nfs/dbraw/zinc/22/77/02/176227702.db2.gz BFDYCNUDBBJXQQ-ZDUSSCGKSA-N 1 0 269.772 3.165 10 0 CGAERO [NH3+]CCc1nc(-c2cc(Br)cs2)cs1 ZINC000071645528 176239843 /nfs/dbraw/zinc/23/98/43/176239843.db2.gz XANQLXJATRADSN-UHFFFAOYSA-N 1 0 289.223 3.135 10 0 CGAERO Cc1[nH]nc2c1[C@@H]([NH3+])C[C@@H](c1ccc(Cl)cc1)C2 ZINC000072415392 176399399 /nfs/dbraw/zinc/39/93/99/176399399.db2.gz XRVKOGFVHGFGGL-PWSUYJOCSA-N 1 0 261.756 3.101 10 0 CGAERO COc1cc(C)c(CC[NH2+]C2CCCC2)c(OC)c1 ZINC000076363638 177003457 /nfs/dbraw/zinc/00/34/57/177003457.db2.gz HNRZZPHUAOTBHV-UHFFFAOYSA-N 1 0 263.381 3.087 10 0 CGAERO C[N@H+](CC[C@H]1NCCc2ccccc21)Cc1ccccc1 ZINC000076476722 177025415 /nfs/dbraw/zinc/02/54/15/177025415.db2.gz GBQLLYLKHTYEFP-LJQANCHMSA-N 1 0 280.415 3.396 10 0 CGAERO Cc1nc(-c2ccccc2Br)sc1CC[NH3+] ZINC000076570880 177040514 /nfs/dbraw/zinc/04/05/14/177040514.db2.gz XAMJOIPCIMMEPM-UHFFFAOYSA-N 1 0 297.221 3.382 10 0 CGAERO [NH3+]C[C@H](c1cc(Br)ccc1F)C1CC1 ZINC000076665345 177050688 /nfs/dbraw/zinc/05/06/88/177050688.db2.gz CIGXVABZSFVVPY-JTQLQIEISA-N 1 0 258.134 3.041 10 0 CGAERO [NH3+]CC[C@H](CCc1ccc(F)cc1)c1cccnc1 ZINC000076666301 177050967 /nfs/dbraw/zinc/05/09/67/177050967.db2.gz HTDRKMPJYADPHS-AWEZNQCLSA-N 1 0 258.340 3.286 10 0 CGAERO [NH3+]CC[C@@H](CCc1ccccc1F)c1cccnc1 ZINC000076666285 177051127 /nfs/dbraw/zinc/05/11/27/177051127.db2.gz NESYCAOZCWMFEF-CYBMUJFWSA-N 1 0 258.340 3.286 10 0 CGAERO COc1ccc([C@H](CC[NH3+])C(C)(C)C)c(OC)c1C ZINC000076681792 177058975 /nfs/dbraw/zinc/05/89/75/177058975.db2.gz HMVVMARTQIEQBQ-ZDUSSCGKSA-N 1 0 265.397 3.491 10 0 CGAERO C[C@H](C[NH3+])CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000076722403 177069715 /nfs/dbraw/zinc/06/97/15/177069715.db2.gz PFAVTWUGZXTUCU-QMMMGPOBSA-N 1 0 275.179 3.307 10 0 CGAERO C[NH2+][C@H](C)c1csc(-c2cccc(OC)c2OC)n1 ZINC000076784847 177092194 /nfs/dbraw/zinc/09/21/94/177092194.db2.gz KCDMFWKALODUJI-SECBINFHSA-N 1 0 278.377 3.108 10 0 CGAERO Cc1nc(C)c(C[NH2+]C[C@H]2CCO[C@@H]2C(C)(C)C)s1 ZINC000076870615 177125404 /nfs/dbraw/zinc/12/54/04/177125404.db2.gz AQLHUNUGYXQJEC-OCCSQVGLSA-N 1 0 282.453 3.301 10 0 CGAERO Cc1ccc(Br)cc1[C@H]1CC[C@@H]([NH3+])C1 ZINC000077607693 177284409 /nfs/dbraw/zinc/28/44/09/177284409.db2.gz QMJYCJUSJICPGP-GXSJLCMTSA-N 1 0 254.171 3.352 10 0 CGAERO CC[C@H]([NH2+]Cc1nn(C)cc1Br)C(C)(C)C ZINC000309817527 416529094 /nfs/dbraw/zinc/52/90/94/416529094.db2.gz CGGQTPHPNVKWDP-NSHDSACASA-N 1 0 288.233 3.097 10 0 CGAERO O[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC23CCCCC3)C1 ZINC000313003473 416534739 /nfs/dbraw/zinc/53/47/39/416534739.db2.gz JVOOFJPQQZBXTD-ZNMIVQPWSA-N 1 0 251.414 3.383 10 0 CGAERO CC(C)[C@H]1C[NH2+][C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000725255597 544113422 /nfs/dbraw/zinc/11/34/22/544113422.db2.gz FQUHXTWUKWTFNR-CZUORRHYSA-N 1 0 282.428 3.022 10 0 CGAERO [NH3+]Cc1ccc(-c2c(F)cccc2Cl)nc1F ZINC000725270366 544114620 /nfs/dbraw/zinc/11/46/20/544114620.db2.gz JAOIHBRMALJVSA-UHFFFAOYSA-N 1 0 254.667 3.139 10 0 CGAERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCCn1cccn1 ZINC000135100707 287461088 /nfs/dbraw/zinc/46/10/88/287461088.db2.gz SCZJNVGXEHWLSU-LSDHHAIUSA-N 1 0 263.429 3.468 10 0 CGAERO C[C@H](NC(=O)C1([NH3+])CC2(CCC2)C1)c1cccc(Cl)c1 ZINC000659278391 418971558 /nfs/dbraw/zinc/97/15/58/418971558.db2.gz LMFBPGXYDBTMAJ-NSHDSACASA-N 1 0 292.810 3.179 10 0 CGAERO CC(C)COc1ccc([C@@H](C)[NH2+]C2CC(CO)C2)cc1 ZINC000658352490 418947006 /nfs/dbraw/zinc/94/70/06/418947006.db2.gz XLIGVXRVROENPT-VQCLRJIVSA-N 1 0 277.408 3.143 10 0 CGAERO O[C@H]1CCC[C@@H](C[NH+]2CCC(C3CCCC3)CC2)C1 ZINC000659959522 419045644 /nfs/dbraw/zinc/04/56/44/419045644.db2.gz KARGMQUNFUIGLP-PBHICJAKSA-N 1 0 265.441 3.440 10 0 CGAERO Cc1c[nH]c(CN[C@@H](C)c2ccc(Cl)s2)n1 ZINC000657300159 419245504 /nfs/dbraw/zinc/24/55/04/419245504.db2.gz JQZHESXVXOPJTB-QMMMGPOBSA-N 1 0 255.774 3.284 10 0 CGAERO O[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H](C3CCCCC3)C2)C1 ZINC000661577796 419274413 /nfs/dbraw/zinc/27/44/13/419274413.db2.gz FWLQVAZVBOFXRY-BHYGNILZSA-N 1 0 265.441 3.440 10 0 CGAERO COc1cccc(F)c1C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000088079877 260227908 /nfs/dbraw/zinc/22/79/08/260227908.db2.gz XXJCRAGQIFSPEW-JTQLQIEISA-N 1 0 288.322 3.106 10 0 CGAERO CCn1nc(C)c([C@@H](C)[NH2+]CCc2scnc2C)c1C ZINC000391148932 262383665 /nfs/dbraw/zinc/38/36/65/262383665.db2.gz OKYKGOLDTNYWFO-LLVKDONJSA-N 1 0 292.452 3.178 10 0 CGAERO Cc1ccc(C[NH2+][C@H](CC(C)C)CN(C)C)cc1C ZINC000037321646 270029101 /nfs/dbraw/zinc/02/91/01/270029101.db2.gz CFQQSKDPNKZJKC-QGZVFWFLSA-N 1 0 262.441 3.369 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000037321626 270029331 /nfs/dbraw/zinc/02/93/31/270029331.db2.gz XPYQOMHHGILWTH-QZTJIDSGSA-N 1 0 274.452 3.110 10 0 CGAERO CC(C)C[C@@H](CN(C)C)[NH2+]CC1=Cc2ccccc2OC1 ZINC000105436426 270047385 /nfs/dbraw/zinc/04/73/85/270047385.db2.gz VHKIHWAPMVPICD-KRWDZBQOSA-N 1 0 288.435 3.028 10 0 CGAERO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1nnc(C)n1CC ZINC000191829747 270076416 /nfs/dbraw/zinc/07/64/16/270076416.db2.gz FAICYERYJPNACX-KBPBESRZSA-N 1 0 264.417 3.055 10 0 CGAERO O[C@@]12CCCC[C@H]1C[N@H+](Cc1ccccc1Cl)CC2 ZINC000220406228 270085966 /nfs/dbraw/zinc/08/59/66/270085966.db2.gz KRVFXROQYIAICJ-GOEBONIOSA-N 1 0 279.811 3.467 10 0 CGAERO C[C@H](c1ccc(Cl)cc1Cl)N1CC[NH2+][C@H](C)C1 ZINC000251928571 270091482 /nfs/dbraw/zinc/09/14/82/270091482.db2.gz YMYWYGDXADXECT-NXEZZACHSA-N 1 0 273.207 3.348 10 0 CGAERO Fc1ccc(F)c(C[NH2+]CC[C@@H]2CCCO2)c1Cl ZINC000527634676 270130145 /nfs/dbraw/zinc/13/01/45/270130145.db2.gz DFQFEUQBBCCXBK-VIFPVBQESA-N 1 0 275.726 3.277 10 0 CGAERO COc1ccsc1[C@H](C)[NH2+][C@@H]1c2ccccc2C[C@H]1O ZINC000248645833 274165654 /nfs/dbraw/zinc/16/56/54/274165654.db2.gz RKKWXWAYNOUFBK-PSOPSSQASA-N 1 0 289.400 3.066 10 0 CGAERO C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2)[C@@H](C)C[NH2+]1 ZINC000083536410 274353516 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519951731 /nfs/dbraw/zinc/95/17/31/519951731.db2.gz FBUHNWFCAUITSQ-JTQLQIEISA-N 1 0 273.207 3.429 10 0 CGAERO CCC[NH2+]Cc1nccn1Cc1cc(C)ccc1C ZINC000051005239 519967977 /nfs/dbraw/zinc/96/79/77/519967977.db2.gz PALJOMINGXHPLY-UHFFFAOYSA-N 1 0 257.381 3.048 10 0 CGAERO CCOCCO[C@@]1(C[NH2+]C(C)(C)C)CCC[C@@H](C)C1 ZINC000050504252 520020591 /nfs/dbraw/zinc/02/05/91/520020591.db2.gz MAQFCPLYIDNZFO-ZBFHGGJFSA-N 1 0 271.445 3.377 10 0 CGAERO CC[NH2+]Cc1nnc(-c2cc3ccccc3s2)o1 ZINC000050615655 520022697 /nfs/dbraw/zinc/02/26/97/520022697.db2.gz LUVPLIXFHDGKCK-UHFFFAOYSA-N 1 0 259.334 3.061 10 0 CGAERO CC[NH2+]Cc1sc(N2Cc3ccccc3C2)nc1C ZINC000054998257 520034415 /nfs/dbraw/zinc/03/44/15/520034415.db2.gz PWLRVSYSDZPDTG-UHFFFAOYSA-N 1 0 273.405 3.081 10 0 CGAERO CCC[NH2+][C@H](c1cccs1)c1cncc(F)c1 ZINC000049576176 520091005 /nfs/dbraw/zinc/09/10/05/520091005.db2.gz OTABWBKGMSTPHG-ZDUSSCGKSA-N 1 0 250.342 3.371 10 0 CGAERO CCCCCCOc1ccc(C[NH2+]CCCO)cc1 ZINC000066116076 520106385 /nfs/dbraw/zinc/10/63/85/520106385.db2.gz OAFKHQUYNCTCBF-UHFFFAOYSA-N 1 0 265.397 3.118 10 0 CGAERO CC[NH2+][C@@H]1CCC[C@@H]1N(C)[C@@H](C)c1ccccc1F ZINC000062013827 520119299 /nfs/dbraw/zinc/11/92/99/520119299.db2.gz KIQVWGXCQQMRPM-MAZHCROVSA-N 1 0 264.388 3.349 10 0 CGAERO CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1n1ncc2ccccc21 ZINC000050524938 520121810 /nfs/dbraw/zinc/12/18/10/520121810.db2.gz OOGORVDMLGBKDJ-XPKDYRNWSA-N 1 0 257.381 3.376 10 0 CGAERO C[C@@H]1CN(Cc2ccc(C(C)(C)C)s2)C[C@H](C)[NH2+]1 ZINC000166173651 534474312 /nfs/dbraw/zinc/47/43/12/534474312.db2.gz NRTSDDPSDCZROG-TXEJJXNPSA-N 1 0 266.454 3.228 10 0 CGAERO CCN(CC(F)(F)F)[C@@H](C)CCC[NH2+]C(C)C ZINC000052503130 520420974 /nfs/dbraw/zinc/42/09/74/520420974.db2.gz UUEVRXCAUPWEMJ-NSHDSACASA-N 1 0 254.340 3.037 10 0 CGAERO CCCOc1cccc([C@@H]([NH3+])c2nc3c(s2)CCC3)c1 ZINC000052921836 520463983 /nfs/dbraw/zinc/46/39/83/520463983.db2.gz JVSLRACVKGFPKP-OAHLLOKOSA-N 1 0 288.416 3.469 10 0 CGAERO CCCCN(CCCC)C(=O)[C@H]1[C@@H](C)CCC[C@@H]1[NH3+] ZINC000055125912 520491417 /nfs/dbraw/zinc/49/14/17/520491417.db2.gz HCYWCTZLUKLZJF-KKUMJFAQSA-N 1 0 268.445 3.179 10 0 CGAERO CCCCOCC[NH2+]CCc1ccc(Cl)cc1 ZINC000049262215 520782497 /nfs/dbraw/zinc/78/24/97/520782497.db2.gz LLYNVIIXEZODAG-UHFFFAOYSA-N 1 0 255.789 3.289 10 0 CGAERO CCC[C@@](C)(C[NH2+]CCOC)Cc1ccsc1 ZINC000054657507 520911138 /nfs/dbraw/zinc/91/11/38/520911138.db2.gz JLNAKOTYHJCLDM-CQSZACIVSA-N 1 0 255.427 3.333 10 0 CGAERO CCN(CC)c1nc2c(s1)[C@@H]([NH2+]C)CC(C)(C)C2 ZINC000054900109 520929030 /nfs/dbraw/zinc/92/90/30/520929030.db2.gz CNAWUWQBAOIZSG-JTQLQIEISA-N 1 0 267.442 3.222 10 0 CGAERO CCC[C@H](C[NH2+]CC(C)C)Cc1cnn(CC)c1 ZINC000052970861 521101775 /nfs/dbraw/zinc/10/17/75/521101775.db2.gz PUQTZQNJSXKZDM-AWEZNQCLSA-N 1 0 251.418 3.107 10 0 CGAERO CCOc1ccccc1N1CC[C@H](C[NH2+]CC(C)C)C1 ZINC000053011798 521519112 /nfs/dbraw/zinc/51/91/12/521519112.db2.gz IKWKHBCLIXHDMD-OAHLLOKOSA-N 1 0 276.424 3.157 10 0 CGAERO CCOc1ccccc1O[C@H](CC)C[NH2+]CC(C)C ZINC000052653996 521568172 /nfs/dbraw/zinc/56/81/72/521568172.db2.gz IFAVUYWNUPMMJZ-CQSZACIVSA-N 1 0 265.397 3.488 10 0 CGAERO CCOc1ccccc1[C@H](C[NH3+])Nc1ccccc1F ZINC000057570490 521589339 /nfs/dbraw/zinc/58/93/39/521589339.db2.gz HZVJRFAVQMPIMF-HNNXBMFYSA-N 1 0 274.339 3.336 10 0 CGAERO CCC(CC)[C@H]([NH2+]CCOC)c1nc(C)c(C)s1 ZINC000053290729 521619485 /nfs/dbraw/zinc/61/94/85/521619485.db2.gz JUEDPQIBGQDNIV-ZDUSSCGKSA-N 1 0 270.442 3.473 10 0 CGAERO CCCN(CCC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000188501928 521651562 /nfs/dbraw/zinc/65/15/62/521651562.db2.gz QCXHZXCWEKNYBH-AWEZNQCLSA-N 1 0 295.427 3.022 10 0 CGAERO CC[C@@H](C)[N@@H+]1CC(C)(C)NC[C@@H]1Cc1ccccc1 ZINC000062657476 522109617 /nfs/dbraw/zinc/10/96/17/522109617.db2.gz LASAFYVXLNYCQF-ZBFHGGJFSA-N 1 0 260.425 3.080 10 0 CGAERO C[NH2+]Cc1nc(CN2CCc3sccc3[C@H]2C)cs1 ZINC000052505174 522151158 /nfs/dbraw/zinc/15/11/58/522151158.db2.gz HJMHUUAVITXCDQ-SNVBAGLBSA-N 1 0 293.461 3.043 10 0 CGAERO 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542248045 /nfs/dbraw/zinc/24/80/45/542248045.db2.gz FUUZTIDQHWSCNC-SJLPKXTDSA-N 1 0 283.419 3.226 10 0 CGAERO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)C(C)C)c1ccco1 ZINC000067709578 345329635 /nfs/dbraw/zinc/32/96/35/345329635.db2.gz HYOBDMZEAFWYFY-KBPBESRZSA-N 1 0 295.427 3.006 10 0 CGAERO [NH2+]=C1CCCCN1Cc1ccc(Br)s1 ZINC000070600632 345392742 /nfs/dbraw/zinc/39/27/42/345392742.db2.gz ANTLPIQCXKMOTN-UHFFFAOYSA-N 1 0 273.199 3.474 10 0 CGAERO OC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000152324853 232209308 /nfs/dbraw/zinc/20/93/08/232209308.db2.gz ABQOURUAVRJHBV-SMDDNHRTSA-N 1 0 271.763 3.120 10 0 CGAERO Cc1csc([C@H](C)[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000623978009 349934112 /nfs/dbraw/zinc/93/41/12/349934112.db2.gz HFHPHJWUFLPRST-RNJOBUHISA-N 1 0 268.426 3.306 10 0 CGAERO CCCOc1ccc(Cl)cc1NC(=O)[C@]1(C)CCC[NH2+]1 ZINC000079516156 345644565 /nfs/dbraw/zinc/64/45/65/345644565.db2.gz DXVAJSXXONMLNN-HNNXBMFYSA-N 1 0 296.798 3.209 10 0 CGAERO CC[NH2+][C@H](Cc1cccc(Cl)c1)[C@@H]1CCCO1 ZINC000087802465 345757519 /nfs/dbraw/zinc/75/75/19/345757519.db2.gz BVZWWNPXAANZMC-KGLIPLIRSA-N 1 0 253.773 3.040 10 0 CGAERO CC[N@@H+]1CC[C@@]2(c3cccc(OC)c3)CC(=O)CC[C@@H]2C1 ZINC000082224718 345721672 /nfs/dbraw/zinc/72/16/72/345721672.db2.gz YKLOUKZAIKUCQL-QAPCUYQASA-N 1 0 287.403 3.028 10 0 CGAERO CCC(C)(C)NC(=O)C[N@H+](C(C)C)C1CCCCC1 ZINC000102768743 345918375 /nfs/dbraw/zinc/91/83/75/345918375.db2.gz YPTSCFBBIGEFMX-UHFFFAOYSA-N 1 0 268.445 3.334 10 0 CGAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)N1CCC(C)CC1 ZINC000130433608 346057674 /nfs/dbraw/zinc/05/76/74/346057674.db2.gz IKMGKNFPXJEJRO-HOTGVXAUSA-N 1 0 288.435 3.293 10 0 CGAERO C[C@@H]1Cc2c(cc(Cl)cc2Br)[C@@H]1[NH3+] ZINC000126550553 346025137 /nfs/dbraw/zinc/02/51/37/346025137.db2.gz DCJGBJHNJHPIBG-GPXNAGAYSA-N 1 0 260.562 3.295 10 0 CGAERO CC[NH2+][C@@H]1CCCc2sc(Br)cc21 ZINC000132226404 346070808 /nfs/dbraw/zinc/07/08/08/346070808.db2.gz GIQPMLJFZJQMMN-MRVPVSSYSA-N 1 0 260.200 3.498 10 0 CGAERO Clc1ccc(C[C@H]2CCC[NH2+]2)cc1Br ZINC000134340973 346080661 /nfs/dbraw/zinc/08/06/61/346080661.db2.gz FMLXDKOJZOEPCO-SECBINFHSA-N 1 0 274.589 3.397 10 0 CGAERO C=CC[C@@H](CC[N@H+](C)Cc1ccccc1)C(=O)OCC ZINC000136197663 346090119 /nfs/dbraw/zinc/09/01/19/346090119.db2.gz IWVHEYHHQVCNSC-INIZCTEOSA-N 1 0 275.392 3.264 10 0 CGAERO O=C1O[C@]2(CCC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000137587943 346094724 /nfs/dbraw/zinc/09/47/24/346094724.db2.gz DVGDFSZFQCGIFT-IBGZPJMESA-N 1 0 293.366 3.348 10 0 CGAERO OC(c1ccccc1)(c1ccccc1)C12CC[NH+](CC1)C2 ZINC000140881056 346107072 /nfs/dbraw/zinc/10/70/72/346107072.db2.gz NAYNOSVXIWVKDH-UHFFFAOYSA-N 1 0 279.383 3.018 10 0 CGAERO CC(C)=C[C@H]([NH3+])c1cccc(I)c1 ZINC000131037986 346062235 /nfs/dbraw/zinc/06/22/35/346062235.db2.gz POWGOKJLCSEHDZ-NSHDSACASA-N 1 0 287.144 3.257 10 0 CGAERO [NH3+][C@@H](Cc1ccoc1)c1cc(Br)cs1 ZINC000131249246 346063977 /nfs/dbraw/zinc/06/39/77/346063977.db2.gz SGCJZNINRPJHNL-VIFPVBQESA-N 1 0 272.167 3.346 10 0 CGAERO O[C@@](c1ccccc1)(C1CCCCC1)C1CC[NH2+]CC1 ZINC000149159680 346130225 /nfs/dbraw/zinc/13/02/25/346130225.db2.gz YATNOIAYESPKTD-SFHVURJKSA-N 1 0 273.420 3.454 10 0 CGAERO C[C@@H]([NH3+])[C@H](Cc1ccc(Cl)cc1)OCC1CCC1 ZINC000149925274 346131710 /nfs/dbraw/zinc/13/17/10/346131710.db2.gz POQZWZPRDMLEHO-ABAIWWIYSA-N 1 0 267.800 3.415 10 0 CGAERO C[NH2+][C@@H]1CCc2c1cc(Br)cc2Cl ZINC000160516905 346171631 /nfs/dbraw/zinc/17/16/31/346171631.db2.gz MCUGMCKIIPHOOH-SNVBAGLBSA-N 1 0 260.562 3.309 10 0 CGAERO Cc1c(C[NH3+])oc2c1c(F)ccc2Br ZINC000160697820 346172531 /nfs/dbraw/zinc/17/25/31/346172531.db2.gz WLPYFWAMJKYIEY-UHFFFAOYSA-N 1 0 258.090 3.102 10 0 CGAERO CC[C@](F)(C[NH3+])c1cccc(Br)c1F ZINC000234139332 346331425 /nfs/dbraw/zinc/33/14/25/346331425.db2.gz HOTLSJASQQURSE-JTQLQIEISA-N 1 0 264.113 3.122 10 0 CGAERO C[C@@H]1C[C@@H](c2cc(F)ccc2Br)C[NH2+]1 ZINC000235397300 346335483 /nfs/dbraw/zinc/33/54/83/346335483.db2.gz SQQFSUMUCMYZKB-HTQZYQBOSA-N 1 0 258.134 3.054 10 0 CGAERO C[NH2+]C[C@@H]1C[C@@H]1c1cc(Br)c(Cl)s1 ZINC000227955374 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VHBSLLZNFHEAPA-NXEZZACHSA-N 1 0 256.752 3.056 10 0 CGAERO C[C@@H]1CN(c2ccccc2Oc2ccccc2)CC[NH2+]1 ZINC000083510724 135025338 /nfs/dbraw/zinc/02/53/38/135025338.db2.gz PVOSIKRBPNQFRM-CQSZACIVSA-N 1 0 268.360 3.277 10 0 CGAERO CC[C@@H]1CN(c2ccc(Cl)c(F)c2)[C@H](CC)C[NH2+]1 ZINC000083518212 135026858 /nfs/dbraw/zinc/02/68/58/135026858.db2.gz YGRSPKVDTLOJMB-GHMZBOCLSA-N 1 0 270.779 3.446 10 0 CGAERO CCC[C@@H]([NH3+])C(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000037805024 397609023 /nfs/dbraw/zinc/60/90/23/397609023.db2.gz DBYNROLUUAYWHB-GFCCVEGCSA-N 1 0 289.206 3.079 10 0 CGAERO Fc1cccc(Cl)c1C[NH2+]CC[C@@H]1CCCO1 ZINC000037988608 397609480 /nfs/dbraw/zinc/60/94/80/397609480.db2.gz GBRXGSPHJXXOPG-JTQLQIEISA-N 1 0 257.736 3.138 10 0 CGAERO CC(C)c1ccc([C@H](C)[NH2+][C@H]2CCc3ncnn3C2)cc1 ZINC000180599738 397661370 /nfs/dbraw/zinc/66/13/70/397661370.db2.gz HBDNCKWKQHIZEL-BBRMVZONSA-N 1 0 284.407 3.067 10 0 CGAERO CC(C)(C)Sc1ncc(Br)cc1C[NH3+] ZINC000306226468 397677164 /nfs/dbraw/zinc/67/71/64/397677164.db2.gz GHXOMXPNOBCFPB-UHFFFAOYSA-N 1 0 275.215 3.193 10 0 CGAERO C[C@]1([NH3+])CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000675051254 543311206 /nfs/dbraw/zinc/31/12/06/543311206.db2.gz NQFSZYGMWRMDPR-ROUUACIJSA-N 1 0 266.388 3.003 10 0 CGAERO CCc1ccc(C[NH2+][C@H](CC(C)C)CN(C)C)s1 ZINC000049556023 286927378 /nfs/dbraw/zinc/92/73/78/286927378.db2.gz WCKMIXYOPNHTKZ-CYBMUJFWSA-N 1 0 268.470 3.376 10 0 CGAERO CC[C@@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1)C(C)C ZINC000049126825 286929329 /nfs/dbraw/zinc/92/93/29/286929329.db2.gz XPPOMQNLULGCQK-IUODEOHRSA-N 1 0 283.437 3.175 10 0 CGAERO CCCOc1cccc(C[NH2+]C[C@H]2CCCC[C@H]2O)c1 ZINC000077204193 287037454 /nfs/dbraw/zinc/03/74/54/287037454.db2.gz OOFIXYXWRZYFKY-NVXWUHKLSA-N 1 0 277.408 3.116 10 0 CGAERO C[C@@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccccc1Cl ZINC000516861245 287049976 /nfs/dbraw/zinc/04/99/76/287049976.db2.gz FAQUWIMFJJCDAQ-YNEHKIRRSA-N 1 0 266.816 3.379 10 0 CGAERO CC[C@H]1CC[C@@H]([NH2+]CC2(N(C)C)CCCCC2)C1 ZINC000080427183 287065189 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287108537 /nfs/dbraw/zinc/10/85/37/287108537.db2.gz KSUKEYJGCVZGCQ-KMZOKZLKSA-N 1 0 259.393 3.073 10 0 CGAERO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CC1CC(O)C1 ZINC000091525955 287108619 /nfs/dbraw/zinc/10/86/19/287108619.db2.gz WVUBXJLXIFGHIO-OIKLOGQESA-N 1 0 282.453 3.171 10 0 CGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccccc1C ZINC000092696140 165305124 /nfs/dbraw/zinc/30/51/24/165305124.db2.gz BHIWXWCURDALTG-DLBZAZTESA-N 1 0 258.409 3.054 10 0 CGAERO C[C@@H](c1cc(F)ccc1F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248371273 287129972 /nfs/dbraw/zinc/12/99/72/287129972.db2.gz YLXTXLDJPPRXIF-JSGCOSHPSA-N 1 0 280.362 3.196 10 0 CGAERO CC(C)Oc1ccc(CN2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000261875062 165839833 /nfs/dbraw/zinc/83/98/33/165839833.db2.gz ZOYAAABGSQIGNH-INIZCTEOSA-N 1 0 276.424 3.033 10 0 CGAERO [NH3+]CC[C@H]1CN(C(=O)OCc2ccccc2)c2ccccc21 ZINC000001859755 169761018 /nfs/dbraw/zinc/76/10/18/169761018.db2.gz URDVEFGFRDCRIU-HNNXBMFYSA-N 1 0 296.370 3.276 10 0 CGAERO Cc1cnn(CC[NH2+]C(CC(C)C)CC(C)C)c1 ZINC000124030775 287228614 /nfs/dbraw/zinc/22/86/14/287228614.db2.gz NHJBTHSWZYKEFH-UHFFFAOYSA-N 1 0 251.418 3.242 10 0 CGAERO Cn1cc[nH+]c1NCc1ccc(Cl)cc1Cl ZINC000008699317 170346234 /nfs/dbraw/zinc/34/62/34/170346234.db2.gz JXCFHYJIQADPHZ-UHFFFAOYSA-N 1 0 256.136 3.339 10 0 CGAERO CCOc1ccc([C@H]([NH3+])Cc2ccc(F)cc2)cc1 ZINC000011602948 170425659 /nfs/dbraw/zinc/42/56/59/170425659.db2.gz SFVDGUJUJDJRNT-MRXNPFEDSA-N 1 0 259.324 3.467 10 0 CGAERO [NH3+]CCc1cccc(OCc2ccccc2Cl)c1 ZINC000011994925 170465628 /nfs/dbraw/zinc/46/56/28/170465628.db2.gz XJALUJZBFRKGBO-UHFFFAOYSA-N 1 0 261.752 3.420 10 0 CGAERO CCOc1c(C[NH2+]C(C)(C)CC)cccc1OC ZINC000013718023 170581026 /nfs/dbraw/zinc/58/10/26/170581026.db2.gz CRCIGUKGUAHXJN-UHFFFAOYSA-N 1 0 251.370 3.372 10 0 CGAERO CC(C)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000016518983 170701049 /nfs/dbraw/zinc/70/10/49/170701049.db2.gz ZXIIOELYOWJCHU-GHMZBOCLSA-N 1 0 268.788 3.301 10 0 CGAERO C[C@@H]([NH3+])c1ccc(NC(=O)c2c(F)cccc2F)cc1 ZINC000019277840 170770015 /nfs/dbraw/zinc/77/00/15/170770015.db2.gz MOKRKCOHEHPOHZ-SECBINFHSA-N 1 0 276.286 3.237 10 0 CGAERO CCOc1ccc(OCc2ccc(C[NH3+])cc2F)cc1 ZINC000019403367 170785733 /nfs/dbraw/zinc/78/57/33/170785733.db2.gz ITQVYOSKXMCBTO-UHFFFAOYSA-N 1 0 275.323 3.262 10 0 CGAERO Cc1cccc(C)c1NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000019433691 170798779 /nfs/dbraw/zinc/79/87/79/170798779.db2.gz CPNHVUUZUVPWQI-ILXRZTDVSA-N 1 0 272.392 3.163 10 0 CGAERO C[NH2+]CCCOc1ccc(Oc2ccccc2)cc1 ZINC000019669861 170834896 /nfs/dbraw/zinc/83/48/96/170834896.db2.gz IYWLETWBPGGXPM-UHFFFAOYSA-N 1 0 257.333 3.467 10 0 CGAERO Cc1ccccc1COc1cccc(CCC[NH3+])c1 ZINC000019787658 170866167 /nfs/dbraw/zinc/86/61/67/170866167.db2.gz LRADBZWPPXNIRO-UHFFFAOYSA-N 1 0 255.361 3.465 10 0 CGAERO [NH3+][C@H](c1ccc(Cl)cc1)[C@H]1Cc2ccccc2O1 ZINC000019804111 170873342 /nfs/dbraw/zinc/87/33/42/170873342.db2.gz BCZKKSPEFQXKSX-HUUCEWRRSA-N 1 0 259.736 3.344 10 0 CGAERO CCOc1ccc([C@@H]([NH3+])c2cc(F)cc(F)c2)cc1 ZINC000019967472 170948818 /nfs/dbraw/zinc/94/88/18/170948818.db2.gz ZRUVRIPSPBIFGU-OAHLLOKOSA-N 1 0 263.287 3.412 10 0 CGAERO C[C@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1cccc(O)c1 ZINC000020129391 171017335 /nfs/dbraw/zinc/01/73/35/171017335.db2.gz FELQOOCCCKMUIG-KSSFIOAISA-N 1 0 284.403 3.346 10 0 CGAERO CC(C)[C@@H](CN[C@H](C)c1c(F)cccc1F)[NH+](C)C ZINC000020145619 171031282 /nfs/dbraw/zinc/03/12/82/171031282.db2.gz QTHWOHMLRDAUNE-BXUZGUMPSA-N 1 0 270.367 3.202 10 0 CGAERO C=COCCC[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000020197154 171061115 /nfs/dbraw/zinc/06/11/15/171061115.db2.gz WIOWTJKEJHJQDT-UHFFFAOYSA-N 1 0 275.270 3.225 10 0 CGAERO C[C@@H]([NH2+]C(C)(C)CO)c1ccc(Cl)c(Cl)c1 ZINC000020196810 171061348 /nfs/dbraw/zinc/06/13/48/171061348.db2.gz KEQGUOAPABEBIB-MRVPVSSYSA-N 1 0 262.180 3.415 10 0 CGAERO CCN(Cc1ccccc1)[C@H](C[NH3+])c1ccccc1 ZINC000020225359 171088200 /nfs/dbraw/zinc/08/82/00/171088200.db2.gz XTDDJDBVWZTSQN-QGZVFWFLSA-N 1 0 254.377 3.209 10 0 CGAERO Cc1ccccc1N(CCC[NH3+])Cc1cccs1 ZINC000020236945 171096567 /nfs/dbraw/zinc/09/65/67/171096567.db2.gz DELFYEGPERRYRX-UHFFFAOYSA-N 1 0 260.406 3.412 10 0 CGAERO CCC(CC)[C@H](C[NH3+])N(C)Cc1cccc(F)c1 ZINC000020266532 171123477 /nfs/dbraw/zinc/12/34/77/171123477.db2.gz SMHZDJXADMUFKT-HNNXBMFYSA-N 1 0 252.377 3.021 10 0 CGAERO Cc1ccc(NC(=O)C[C@H]([NH3+])c2ccccc2)c(F)c1 ZINC000020372522 171168885 /nfs/dbraw/zinc/16/88/85/171168885.db2.gz FOWRQCBAMLYTEU-AWEZNQCLSA-N 1 0 272.323 3.163 10 0 CGAERO [NH3+][C@@H](c1ccc(Cl)s1)[C@@H]1Cc2ccccc2O1 ZINC000020374973 171169951 /nfs/dbraw/zinc/16/99/51/171169951.db2.gz CUUSBUVSYYWBKX-GXFFZTMASA-N 1 0 265.765 3.405 10 0 CGAERO Cc1ccc(-n2cc(C[NH3+])c(-c3ccc(F)cc3)n2)cc1 ZINC000020390715 171179830 /nfs/dbraw/zinc/17/98/30/171179830.db2.gz WQQHHQMQFGGZMF-UHFFFAOYSA-N 1 0 281.334 3.446 10 0 CGAERO Cc1ccoc1[C@@H]([NH3+])Cc1nc2ccccc2s1 ZINC000020428164 171193480 /nfs/dbraw/zinc/19/34/80/171193480.db2.gz PXGATDKYMOEOKX-JTQLQIEISA-N 1 0 258.346 3.440 10 0 CGAERO [NH3+][C@H](Cc1ccccn1)c1cc(Cl)ccc1F ZINC000020429079 171194221 /nfs/dbraw/zinc/19/42/21/171194221.db2.gz NDQQSSMIKULRKZ-CYBMUJFWSA-N 1 0 250.704 3.117 10 0 CGAERO FC(F)(F)c1ccc(N[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000020440624 171203830 /nfs/dbraw/zinc/20/38/30/171203830.db2.gz NNIHQAIKIFEFCS-CYBMUJFWSA-N 1 0 270.298 3.212 10 0 CGAERO CC(C)c1cccc(NC(=O)[C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000020475676 171220125 /nfs/dbraw/zinc/22/01/25/171220125.db2.gz SHHHRPFVJSBLSH-OCCSQVGLSA-N 1 0 260.381 3.137 10 0 CGAERO CCC[NH2+]CCOc1ccc(OC)cc1C(C)(C)C ZINC000020525379 171238118 /nfs/dbraw/zinc/23/81/18/171238118.db2.gz VOICOEWEWGFSNR-UHFFFAOYSA-N 1 0 265.397 3.371 10 0 CGAERO Cc1ccc(COc2ccccc2C[NH2+]C[C@H](C)O)cc1 ZINC000020873609 171277411 /nfs/dbraw/zinc/27/74/11/171277411.db2.gz VYVRMXAJOYKQQO-HNNXBMFYSA-N 1 0 285.387 3.044 10 0 CGAERO CCCOc1ccccc1C[NH2+]Cc1cccnc1 ZINC000020924378 171280060 /nfs/dbraw/zinc/28/00/60/171280060.db2.gz RNECEYDLMQKUCX-UHFFFAOYSA-N 1 0 256.349 3.160 10 0 CGAERO CCC1CCC(C[NH3+])(N2CCc3ccccc3C2)CC1 ZINC000021059814 171296700 /nfs/dbraw/zinc/29/67/00/171296700.db2.gz OUQRHTUSNSXVGT-UHFFFAOYSA-N 1 0 272.436 3.342 10 0 CGAERO CCCOc1ccc([C@@H](N)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000021787161 171322924 /nfs/dbraw/zinc/32/29/24/171322924.db2.gz WVTAJYGXZXOOHO-DAYGRLMNSA-N 1 0 290.451 3.453 10 0 CGAERO C[C@H]1CCCC[C@H]1[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000021802302 171326424 /nfs/dbraw/zinc/32/64/24/171326424.db2.gz DAUSYHNBGKSOOU-UAGQMJEPSA-N 1 0 260.425 3.458 10 0 CGAERO C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Cl)c(N)c1 ZINC000022153442 171360510 /nfs/dbraw/zinc/36/05/10/171360510.db2.gz KNPVFOWQSWRVOH-NSHDSACASA-N 1 0 295.814 3.125 10 0 CGAERO Cc1cc(C(=O)Nc2ccccc2[C@H](C)[NH3+])c(C)o1 ZINC000022163344 171364774 /nfs/dbraw/zinc/36/47/74/171364774.db2.gz LWDJYLXNLCSSFR-JTQLQIEISA-N 1 0 258.321 3.168 10 0 CGAERO [NH3+]C[C@H](c1ccc(F)cc1F)N1CCc2sccc2C1 ZINC000022165192 171365727 /nfs/dbraw/zinc/36/57/27/171365727.db2.gz SSBUBCBDPMEECX-CQSZACIVSA-N 1 0 294.370 3.084 10 0 CGAERO CC[N@H+]([C@H](CN)c1cccc(OC)c1)C1CCCCC1 ZINC000022168992 171367290 /nfs/dbraw/zinc/36/72/90/171367290.db2.gz QCZZDVZHRZZKII-QGZVFWFLSA-N 1 0 276.424 3.350 10 0 CGAERO CC1CC[NH+]([C@H]2CCCc3ccccc3[C@@H]2N)CC1 ZINC000022563025 171391470 /nfs/dbraw/zinc/39/14/70/171391470.db2.gz AHIAYAOJPJFILD-IRXDYDNUSA-N 1 0 258.409 3.123 10 0 CGAERO CCOc1ccc(OC[C@@H]([NH3+])c2ccccc2C)cc1 ZINC000022564073 171391930 /nfs/dbraw/zinc/39/19/30/171391930.db2.gz DGWBQCFOVDRLLW-QGZVFWFLSA-N 1 0 271.360 3.473 10 0 CGAERO CCOc1ccccc1[C@H](N)C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000022564441 171392118 /nfs/dbraw/zinc/39/21/18/171392118.db2.gz JANXNJAJRSZLGQ-OFQRWUPVSA-N 1 0 276.424 3.348 10 0 CGAERO O[C@@H]1CCCC[C@@H]1[NH+]1CCC(Cc2ccccc2)CC1 ZINC000028236634 171552869 /nfs/dbraw/zinc/55/28/69/171552869.db2.gz ZENDJZOIUGRXAX-ZWKOTPCHSA-N 1 0 273.420 3.245 10 0 CGAERO Brc1cccc(COC[C@@H]2CCCC[NH2+]2)c1 ZINC000028521917 171561304 /nfs/dbraw/zinc/56/13/04/171561304.db2.gz DVHQMHLJNHJQLD-ZDUSSCGKSA-N 1 0 284.197 3.108 10 0 CGAERO COc1cccc(O[C@@H](CC[NH3+])c2ccccc2)c1 ZINC000032110291 171702387 /nfs/dbraw/zinc/70/23/87/171702387.db2.gz LFDSCQYIDVNDIP-INIZCTEOSA-N 1 0 257.333 3.164 10 0 CGAERO CC(C)c1ccc([C@@](O)(C[NH2+]C2CC2)C(C)C)cc1 ZINC000032112144 171705043 /nfs/dbraw/zinc/70/50/43/171705043.db2.gz NUBXUMZXXQRAJH-QGZVFWFLSA-N 1 0 261.409 3.406 10 0 CGAERO COc1ccc([C@@H](C[NH3+])Sc2ccccc2)cc1 ZINC000034436925 171839905 /nfs/dbraw/zinc/83/99/05/171839905.db2.gz OQCQIDKKMQLPCN-OAHLLOKOSA-N 1 0 259.374 3.487 10 0 CGAERO CCCC[C@@H](CC)C(=O)N(C)c1ccc(C[NH3+])cc1 ZINC000034653506 171847941 /nfs/dbraw/zinc/84/79/41/171847941.db2.gz NCMYVJRIKVWMKB-CQSZACIVSA-N 1 0 262.397 3.325 10 0 CGAERO CC[NH2+][C@H](C)c1ccc(Sc2nncs2)c(F)c1 ZINC000034669025 171855801 /nfs/dbraw/zinc/85/58/01/171855801.db2.gz IZQSDKGAAMRMRF-MRVPVSSYSA-N 1 0 283.397 3.499 10 0 CGAERO CC[C@H](C)N(C)c1cc(Br)ccc1C[NH2+]C ZINC000034825017 171880074 /nfs/dbraw/zinc/88/00/74/171880074.db2.gz MDPOGOZTCRJVNT-JTQLQIEISA-N 1 0 285.229 3.403 10 0 CGAERO C[C@@H]1CCC[C@H](OC[C@H]([NH3+])c2ccc3c(c2)OCO3)C1 ZINC000034958208 171903792 /nfs/dbraw/zinc/90/37/92/171903792.db2.gz UDUKCCJPMJYMCR-XBFCOCLRSA-N 1 0 277.364 3.010 10 0 CGAERO COc1ccc([C@H]([NH3+])CC(F)(F)F)cc1Br ZINC000034958786 171904406 /nfs/dbraw/zinc/90/44/06/171904406.db2.gz PWCRZEVDNNKGGQ-MRVPVSSYSA-N 1 0 298.102 3.410 10 0 CGAERO O=C(C[NH2+]C1CCCCCC1)Nc1c(F)cccc1F ZINC000035159905 172017832 /nfs/dbraw/zinc/01/78/32/172017832.db2.gz OMNXGLLILCJZOX-UHFFFAOYSA-N 1 0 282.334 3.216 10 0 CGAERO CCCC(CCC)C(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000126428716 287264517 /nfs/dbraw/zinc/26/45/17/287264517.db2.gz ARBQEHFCQOQPRG-OAHLLOKOSA-N 1 0 268.445 3.146 10 0 CGAERO C[C@H]([NH2+][C@H]1CCc2ccccc21)C(=O)N1CCCCCC1 ZINC000035180623 172034404 /nfs/dbraw/zinc/03/44/04/172034404.db2.gz PKUGELPLLDKACQ-YOEHRIQHSA-N 1 0 286.419 3.055 10 0 CGAERO C[C@H](CS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000081899441 298870833 /nfs/dbraw/zinc/87/08/33/298870833.db2.gz WKLOHTUOTOUAPI-OLZOCXBDSA-N 1 0 297.464 3.068 10 0 CGAERO CC(C)CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC000035221873 172064302 /nfs/dbraw/zinc/06/43/02/172064302.db2.gz UDPSRGCFKPPWAV-RHSMWYFYSA-N 1 0 288.435 3.204 10 0 CGAERO CC(C)CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC000035221874 172064576 /nfs/dbraw/zinc/06/45/76/172064576.db2.gz UDPSRGCFKPPWAV-WMLDXEAASA-N 1 0 288.435 3.204 10 0 CGAERO CCN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000035224412 172068502 /nfs/dbraw/zinc/06/85/02/172068502.db2.gz IWXZTAAYVFHPRB-CAOSSQGBSA-N 1 0 280.456 3.192 10 0 CGAERO [NH3+][C@H](c1ccsc1)c1ccc2c(c1)CCCC(=O)N2 ZINC000035382291 172164565 /nfs/dbraw/zinc/16/45/65/172164565.db2.gz BMLTYYPPJRTHRD-HNNXBMFYSA-N 1 0 272.373 3.071 10 0 CGAERO Cc1cc([C@@H]([NH3+])c2ccc3c(c2)C[C@H](C)O3)c(C)o1 ZINC000035382587 172165505 /nfs/dbraw/zinc/16/55/05/172165505.db2.gz LXLKTUUWADMYCL-FVMDXXJSSA-N 1 0 257.333 3.268 10 0 CGAERO C[NH2+][C@H](c1ccoc1)c1ccc(OC)c(Cl)c1 ZINC000035461595 172210032 /nfs/dbraw/zinc/21/00/32/172210032.db2.gz QGOROAKTOZHAHZ-ZDUSSCGKSA-N 1 0 251.713 3.250 10 0 CGAERO C[NH2+][C@@H](c1cccc(F)c1)c1cc(F)ccc1F ZINC000035468754 172218318 /nfs/dbraw/zinc/21/83/18/172218318.db2.gz QFOLUVQYAFBTAB-AWEZNQCLSA-N 1 0 251.251 3.413 10 0 CGAERO C[NH2+][C@@H](c1ccc(Br)o1)c1cccs1 ZINC000035487835 172223308 /nfs/dbraw/zinc/22/33/08/172223308.db2.gz QDPDLVZCBWSREF-JTQLQIEISA-N 1 0 272.167 3.412 10 0 CGAERO C[NH2+][C@@H](c1ccsc1)c1cc2c(cc1Cl)OCCO2 ZINC000035501304 172235982 /nfs/dbraw/zinc/23/59/82/172235982.db2.gz KGMPISVYDURGBH-AWEZNQCLSA-N 1 0 295.791 3.482 10 0 CGAERO C[NH2+][C@H](c1occc1C)c1ccc2c(c1)C[C@H](C)O2 ZINC000035504412 172238106 /nfs/dbraw/zinc/23/81/06/172238106.db2.gz MYXCAPRCJNQVNE-NHYWBVRUSA-N 1 0 257.333 3.220 10 0 CGAERO C[NH2+][C@@H](c1ccsc1)c1ccc2c(c1)C[C@H](C)O2 ZINC000035504357 172238380 /nfs/dbraw/zinc/23/83/80/172238380.db2.gz DLAPFWLSASWCHM-ZUZCIYMTSA-N 1 0 259.374 3.380 10 0 CGAERO C[NH2+][C@H](CC(F)(F)F)c1ccc(OC)c(F)c1 ZINC000035508040 172240699 /nfs/dbraw/zinc/24/06/99/172240699.db2.gz QBLADNIQPCPQEG-SECBINFHSA-N 1 0 251.223 3.047 10 0 CGAERO CCC[C@@H](C)[C@@H]([NH2+]CC)c1ccc2c(c1)CC(=O)N2 ZINC000035549990 172257487 /nfs/dbraw/zinc/25/74/87/172257487.db2.gz VQSMSVQEUIEGBW-BDJLRTHQSA-N 1 0 260.381 3.268 10 0 CGAERO CCC[NH2+][C@@H](CC)c1cc2c(cc1Cl)NC(=O)C2 ZINC000035587053 172286663 /nfs/dbraw/zinc/28/66/63/172286663.db2.gz WEIQQVURKUPDTR-LBPRGKRZSA-N 1 0 266.772 3.285 10 0 CGAERO C[NH2+][C@H](C)c1ccccc1NC(=O)OCC(C)C ZINC000035645740 172322544 /nfs/dbraw/zinc/32/25/44/172322544.db2.gz QTIHHYMDGQCBGC-LLVKDONJSA-N 1 0 250.342 3.172 10 0 CGAERO CC[NH+](CC)CCOc1c(Cl)cc(Cl)cc1CO ZINC000035662644 172340103 /nfs/dbraw/zinc/34/01/03/172340103.db2.gz KCMYDYJJTMXANG-UHFFFAOYSA-N 1 0 292.206 3.206 10 0 CGAERO C[C@H]1CCCC[C@]1(C[NH3+])N(C)Cc1cccs1 ZINC000035717176 172371581 /nfs/dbraw/zinc/37/15/81/172371581.db2.gz WKCPCXKCBCCONK-GXTWGEPZSA-N 1 0 252.427 3.088 10 0 CGAERO [NH3+]Cc1cccnc1Oc1ccc(F)cc1Br ZINC000035719791 172374404 /nfs/dbraw/zinc/37/44/04/172374404.db2.gz RGWVLJYJLYCTGK-UHFFFAOYSA-N 1 0 297.127 3.234 10 0 CGAERO CCOc1ccc2[nH]c(S[C@@H](CC)CC[NH3+])nc2c1 ZINC000035722616 172378053 /nfs/dbraw/zinc/37/80/53/172378053.db2.gz XGKUPBXJWPGACC-NSHDSACASA-N 1 0 279.409 3.181 10 0 CGAERO CC[C@@H]1CC[C@H](C[NH3+])[C@H](Sc2ccccn2)C1 ZINC000035723863 172379339 /nfs/dbraw/zinc/37/93/39/172379339.db2.gz COZYHKWZUZLLOJ-JHJVBQTASA-N 1 0 250.411 3.327 10 0 CGAERO CCC[NH2+][C@@H]1c2cc(OC)ccc2SC[C@@H]1C ZINC000035760731 172399217 /nfs/dbraw/zinc/39/92/17/172399217.db2.gz CNEDYTCLNAABOF-HZMBPMFUSA-N 1 0 251.395 3.478 10 0 CGAERO C[C@@H](C[NH3+])c1nc(-c2ccc3c(c2)OCCCO3)cs1 ZINC000036177692 172496795 /nfs/dbraw/zinc/49/67/95/172496795.db2.gz WKOULFLWSPZQRR-JTQLQIEISA-N 1 0 290.388 3.034 10 0 CGAERO CC(C)[N@@H+](Cc1ccccc1N)C[C@@H]1CCCCO1 ZINC000036231150 172528435 /nfs/dbraw/zinc/52/84/35/172528435.db2.gz CREKLRDOFHEGET-HNNXBMFYSA-N 1 0 262.397 3.048 10 0 CGAERO CC[C@H](C)CN(C)[C@@H](C[NH3+])c1c(F)cccc1Cl ZINC000037172657 173006715 /nfs/dbraw/zinc/00/67/15/173006715.db2.gz YBHHCGLFADDDTL-GWCFXTLKSA-N 1 0 272.795 3.457 10 0 CGAERO CC[C@H](C)C[N@H+](C)[C@@H](CN)c1ccc(Br)cc1 ZINC000037172661 173006821 /nfs/dbraw/zinc/00/68/21/173006821.db2.gz JHLLZLKGRAEGSJ-FZMZJTMJSA-N 1 0 299.256 3.427 10 0 CGAERO CC(C)[C@@H](CN[C@@H]1CSCc2ccccc21)[NH+](C)C ZINC000037233572 173052724 /nfs/dbraw/zinc/05/27/24/173052724.db2.gz ZTMBZDNNKYAIGJ-HZPDHXFCSA-N 1 0 278.465 3.150 10 0 CGAERO Cc1cccc(NC(=O)C[NH2+][C@@H]2CCC[C@@H](C)C2)c1 ZINC000037255462 173066178 /nfs/dbraw/zinc/06/61/78/173066178.db2.gz HWKIWJRFRJHPTQ-TZMCWYRMSA-N 1 0 260.381 3.102 10 0 CGAERO C[C@@H]([NH2+][C@@H](c1cccs1)C1CCCC1)C(=O)N(C)C ZINC000037268206 173078855 /nfs/dbraw/zinc/07/88/55/173078855.db2.gz MNSQQIAOAGNCSO-BXUZGUMPSA-N 1 0 280.437 3.046 10 0 CGAERO Cc1nc2sccn2c1C[NH2+][C@H](C)Cc1cccs1 ZINC000037284828 173091746 /nfs/dbraw/zinc/09/17/46/173091746.db2.gz ZTJNZFNIXGNOPV-SNVBAGLBSA-N 1 0 291.445 3.487 10 0 CGAERO CC(C)c1ccc(C(=O)N(CCC[NH3+])C(C)C)cc1 ZINC000037298942 173103479 /nfs/dbraw/zinc/10/34/79/173103479.db2.gz OQBQKSIRTKGTSE-UHFFFAOYSA-N 1 0 262.397 3.009 10 0 CGAERO CO[C@@H]1CCCC[C@H]1Nc1ccccc1C[NH+](C)C ZINC000037320574 173121500 /nfs/dbraw/zinc/12/15/00/173121500.db2.gz ZYTSVMRFOSFDJL-HZPDHXFCSA-N 1 0 262.397 3.118 10 0 CGAERO [NH3+]Cc1ccc(Cn2ccc3ccc(F)cc32)cc1 ZINC000037368138 173157912 /nfs/dbraw/zinc/15/79/12/173157912.db2.gz RXMLFRBNVZNSLO-UHFFFAOYSA-N 1 0 254.308 3.287 10 0 CGAERO C[C@@H]([NH2+]C1CCCCCC1)C(=O)NC1CCCCC1 ZINC000037387530 173171016 /nfs/dbraw/zinc/17/10/16/173171016.db2.gz PWWGEVNDMLKYSA-CYBMUJFWSA-N 1 0 266.429 3.136 10 0 CGAERO CC[NH2+][C@H](c1cc(OC)c(OC)cc1C)C(C)C ZINC000037409625 173186017 /nfs/dbraw/zinc/18/60/17/173186017.db2.gz ISFMUAJDIMQMRN-HNNXBMFYSA-N 1 0 251.370 3.319 10 0 CGAERO CCCn1c2ccc(C)cc2nc1[C@H]1CCC[NH2+]C1 ZINC000037438208 173208708 /nfs/dbraw/zinc/20/87/08/173208708.db2.gz VUIROPMGQRNHTP-ZDUSSCGKSA-N 1 0 257.381 3.222 10 0 CGAERO CCn1c2ccc(F)cc2nc1[C@@H]([NH3+])Cc1ccccc1 ZINC000037439445 173209488 /nfs/dbraw/zinc/20/94/88/173209488.db2.gz JXCTUHZWSIJTHR-AWEZNQCLSA-N 1 0 283.350 3.438 10 0 CGAERO Cn1c2ccc(Cl)cc2nc1[C@@H]([NH3+])c1ccccc1 ZINC000037440291 173210573 /nfs/dbraw/zinc/21/05/73/173210573.db2.gz ARHILBCKJSPVSP-AWEZNQCLSA-N 1 0 271.751 3.275 10 0 CGAERO CCC[C@](C)([NH3+])c1nc2c(cccc2F)n1C1CC1 ZINC000037442994 173212264 /nfs/dbraw/zinc/21/22/64/173212264.db2.gz UQBMMDASUDOSBL-HNNXBMFYSA-N 1 0 261.344 3.484 10 0 CGAERO [NH3+][C@@H](Cc1ccccc1Br)c1ccccn1 ZINC000037466301 173226419 /nfs/dbraw/zinc/22/64/19/173226419.db2.gz UKUWZYKKJBYNGT-LBPRGKRZSA-N 1 0 277.165 3.087 10 0 CGAERO COc1cccc([C@](C)([NH3+])Cc2ccccc2C)c1 ZINC000037531521 173253323 /nfs/dbraw/zinc/25/33/23/173253323.db2.gz WYJXPBQHCICDOA-QGZVFWFLSA-N 1 0 255.361 3.420 10 0 CGAERO COc1ccc([C@@](C)([NH3+])Cc2cccc(C)c2)cc1 ZINC000037531494 173253474 /nfs/dbraw/zinc/25/34/74/173253474.db2.gz AGYUSEXCQHIGGK-KRWDZBQOSA-N 1 0 255.361 3.420 10 0 CGAERO CCC[NH2+][C@H](C[C@H]1CCCO1)c1ccc(F)cc1 ZINC000037535268 173254392 /nfs/dbraw/zinc/25/43/92/173254392.db2.gz WBOFCSMTSQTSMW-HUUCEWRRSA-N 1 0 251.345 3.436 10 0 CGAERO Oc1cccc2c1CC[C@H]2[NH2+]C[C@H]1Cc2ccccc21 ZINC000037565919 173513819 /nfs/dbraw/zinc/51/38/19/173513819.db2.gz OYJJUPFVYFJGDL-CXAGYDPISA-N 1 0 265.356 3.309 10 0 CGAERO Cc1ccc(COc2cccc(C[C@H](C)[NH3+])c2)cc1 ZINC000037726419 173644861 /nfs/dbraw/zinc/64/48/61/173644861.db2.gz VRWMTHDDRZHEHT-AWEZNQCLSA-N 1 0 255.361 3.464 10 0 CGAERO CCC[NH2+]Cc1cc(F)ccc1N1CCC[C@@H]1C ZINC000037911828 173844964 /nfs/dbraw/zinc/84/49/64/173844964.db2.gz JEIBDDHRCCHUSQ-LBPRGKRZSA-N 1 0 250.361 3.314 10 0 CGAERO C[C@@H]([NH2+]Cc1cn[nH]c1)c1cccc(Br)c1 ZINC000038005827 173967850 /nfs/dbraw/zinc/96/78/50/173967850.db2.gz JHTRFDVRXQYPPL-SECBINFHSA-N 1 0 280.169 3.023 10 0 CGAERO [NH3+]C[C@H](NC(=O)CCC1CCCCC1)C1CCCCC1 ZINC000127358117 287286118 /nfs/dbraw/zinc/28/61/18/287286118.db2.gz FMADFNYGFYLYLA-INIZCTEOSA-N 1 0 280.456 3.371 10 0 CGAERO C[NH2+][C@H](C)c1cc(F)ccc1-n1cc(Br)cn1 ZINC000038054433 174065594 /nfs/dbraw/zinc/06/55/94/174065594.db2.gz KKUPORSTAUICLB-MRVPVSSYSA-N 1 0 298.159 3.054 10 0 CGAERO C[NH2+][C@@H](C)c1ccc(-n2cc(Br)cn2)c(F)c1 ZINC000038054426 174065643 /nfs/dbraw/zinc/06/56/43/174065643.db2.gz QQHYOZVFZHTTTH-QMMMGPOBSA-N 1 0 298.159 3.054 10 0 CGAERO CC[C@@H](C)[NH2+][C@@](C)(C(N)=O)c1ccc(Cl)c(Cl)c1 ZINC000038065738 174076613 /nfs/dbraw/zinc/07/66/13/174076613.db2.gz YABCSGYCPCQXFR-AMIZOPFISA-N 1 0 289.206 3.082 10 0 CGAERO CCC[NH2+]Cc1cccc(-c2c(C)nn(C)c2C)c1 ZINC000038073175 174083457 /nfs/dbraw/zinc/08/34/57/174083457.db2.gz MOWONZXZENLRAJ-UHFFFAOYSA-N 1 0 257.381 3.204 10 0 CGAERO C[C@@H]1Cc2cc(-c3ccc(C[NH3+])c(F)c3)ccc2O1 ZINC000038073546 174084160 /nfs/dbraw/zinc/08/41/60/174084160.db2.gz QWAIGOFTJWNHBM-SNVBAGLBSA-N 1 0 257.308 3.275 10 0 CGAERO CC[NH2+][C@@H](Cc1cc(C)cc(C)c1)C[C@H]1CCCO1 ZINC000038077426 174087854 /nfs/dbraw/zinc/08/78/54/174087854.db2.gz NSMBNFKUMVNTRO-DLBZAZTESA-N 1 0 261.409 3.393 10 0 CGAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cc(F)ccc2F)o1 ZINC000038097693 174112378 /nfs/dbraw/zinc/11/23/78/174112378.db2.gz AIWWRAJALQOFQG-QMTHXVAHSA-N 1 0 281.302 3.250 10 0 CGAERO COc1ccc(C[C@H]([NH3+])c2sccc2C)cc1OC ZINC000038127842 174131999 /nfs/dbraw/zinc/13/19/99/174131999.db2.gz RPCOFQDBLKYFPP-LBPRGKRZSA-N 1 0 277.389 3.316 10 0 CGAERO C[C@H]1CCC[C@H](OC[C@H]([NH3+])c2ccc(F)cc2)C1 ZINC000040176555 174201894 /nfs/dbraw/zinc/20/18/94/174201894.db2.gz UTUZQKHLGYYBBE-CQDKDKBSSA-N 1 0 251.345 3.421 10 0 CGAERO COc1ccccc1-c1nc(C[NH2+]C(C)C)cs1 ZINC000040414297 174255368 /nfs/dbraw/zinc/25/53/68/174255368.db2.gz CXTZWDMUFRICKC-UHFFFAOYSA-N 1 0 262.378 3.317 10 0 CGAERO CC(C)Oc1ccc(NCC[NH+]2CCCCC2)cc1 ZINC000041354782 174532866 /nfs/dbraw/zinc/53/28/66/174532866.db2.gz UAGUIXHFQAZWTB-UHFFFAOYSA-N 1 0 262.397 3.372 10 0 CGAERO Cc1nc(-c2c(F)cccc2Cl)sc1CC[NH3+] ZINC000041392627 174545422 /nfs/dbraw/zinc/54/54/22/174545422.db2.gz IFIXBQWJDDZTEY-UHFFFAOYSA-N 1 0 270.760 3.412 10 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CC[N@H+](Cc1cc(Br)cs1)[C@@H](C)COC ZINC000043687318 175094814 /nfs/dbraw/zinc/09/48/14/175094814.db2.gz RCXPFIFOGBIRIX-VIFPVBQESA-N 1 0 292.242 3.367 10 0 CGAERO C[NH2+][C@H]1CCC[C@H]1Cc1cc(Br)cs1 ZINC000043688104 175095645 /nfs/dbraw/zinc/09/56/45/175095645.db2.gz YXLFOPADWMJHOT-KWQFWETISA-N 1 0 274.227 3.441 10 0 CGAERO Cc1ccc(NC(=O)C2(C[NH3+])CCCCC2)cc1C ZINC000044761714 175245877 /nfs/dbraw/zinc/24/58/77/175245877.db2.gz GHVWYTKSKDEXGS-UHFFFAOYSA-N 1 0 260.381 3.151 10 0 CGAERO CCc1cccc(CC)c1NC(=O)C1(C[NH3+])CCCC1 ZINC000044762075 175246365 /nfs/dbraw/zinc/24/63/65/175246365.db2.gz XFTWFHCMAQPVHS-UHFFFAOYSA-N 1 0 274.408 3.269 10 0 CGAERO CC(C)[NH2+]Cc1ccnc(-c2ccccc2Cl)n1 ZINC000045206132 175327688 /nfs/dbraw/zinc/32/76/88/175327688.db2.gz WJZNFYUXOLBKKS-UHFFFAOYSA-N 1 0 261.756 3.295 10 0 CGAERO CCC[NH2+][C@H](C)c1cnc(-c2c(C)noc2C)s1 ZINC000071138024 176036274 /nfs/dbraw/zinc/03/62/74/176036274.db2.gz VFFRCTWGNRCWJK-MRVPVSSYSA-N 1 0 265.382 3.476 10 0 CGAERO COc1ccc(C[C@](C)([NH3+])c2ccc(F)cc2)cc1 ZINC000071169544 176050527 /nfs/dbraw/zinc/05/05/27/176050527.db2.gz WKUHPEAVNXUQML-INIZCTEOSA-N 1 0 259.324 3.251 10 0 CGAERO O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCC[NH2+]1 ZINC000071573335 176199903 /nfs/dbraw/zinc/19/99/03/176199903.db2.gz QYCUTBGYEKJTOJ-MRXNPFEDSA-N 1 0 251.329 3.288 10 0 CGAERO C[NH2+][C@@H](C(C)C)[C@H](O)c1ccc(OC(C)C)c(C)c1 ZINC000071598059 176221750 /nfs/dbraw/zinc/22/17/50/176221750.db2.gz VIJQKUJPHWOHOD-JKSUJKDBSA-N 1 0 265.397 3.060 10 0 CGAERO COc1ccc2c(c1)C1(CC1)C[NH2+][C@@H]2COc1ccccc1 ZINC000071650859 176240978 /nfs/dbraw/zinc/24/09/78/176240978.db2.gz VNZPFPAUJGFNAN-GOSISDBHSA-N 1 0 295.382 3.450 10 0 CGAERO Cc1[nH]nc2c1[C@H]([NH3+])C[C@H](c1cccc(Cl)c1)C2 ZINC000072415311 176399827 /nfs/dbraw/zinc/39/98/27/176399827.db2.gz RHIFWFUMIJFLAS-CMPLNLGQSA-N 1 0 261.756 3.101 10 0 CGAERO Cc1[nH]nc2c1[C@@H]([NH3+])C[C@@H](c1cccc(Cl)c1)C2 ZINC000072415308 176399866 /nfs/dbraw/zinc/39/98/66/176399866.db2.gz RHIFWFUMIJFLAS-PWSUYJOCSA-N 1 0 261.756 3.101 10 0 CGAERO C[C@H]1CCC[C@]1(C[NH3+])c1ccccc1Br ZINC000076398031 177015580 /nfs/dbraw/zinc/01/55/80/177015580.db2.gz TUMBWUXNVBDDRH-GXFFZTMASA-N 1 0 268.198 3.466 10 0 CGAERO [NH3+]CC1(c2ccc3c(c2)OCCO3)CC2(C1)CCCCC2 ZINC000076520874 177032417 /nfs/dbraw/zinc/03/24/17/177032417.db2.gz ZLBLVBXMHSYJLJ-UHFFFAOYSA-N 1 0 287.403 3.399 10 0 CGAERO [NH3+]C[C@@H](c1cccc(Br)c1)C1CCC1 ZINC000076657905 177047018 /nfs/dbraw/zinc/04/70/18/177047018.db2.gz KSZNNAHAHKXJMQ-GFCCVEGCSA-N 1 0 254.171 3.292 10 0 CGAERO CCC[C@@H](CC[NH3+])C(=O)Nc1ccc(Cl)cc1 ZINC000076658785 177047916 /nfs/dbraw/zinc/04/79/16/177047916.db2.gz ANTMVHKPTRCOCT-JTQLQIEISA-N 1 0 254.761 3.044 10 0 CGAERO Cc1cc([C@H](CC[NH3+])COc2ccccc2)c(C)[nH]1 ZINC000076667424 177051455 /nfs/dbraw/zinc/05/14/55/177051455.db2.gz YJIYGAATQQSIAU-CQSZACIVSA-N 1 0 258.365 3.143 10 0 CGAERO Cc1ccc(NC(=O)[C@@H](CC[NH3+])CC(C)C)cc1C ZINC000076675523 177055948 /nfs/dbraw/zinc/05/59/48/177055948.db2.gz QGHABZZQVDNKHC-AWEZNQCLSA-N 1 0 262.397 3.253 10 0 CGAERO Cc1cccc(C)c1NC(=O)[C@H](CC[NH3+])CC(C)C ZINC000076675540 177055959 /nfs/dbraw/zinc/05/59/59/177055959.db2.gz RNSJRXLCSVFLEC-CQSZACIVSA-N 1 0 262.397 3.253 10 0 CGAERO Cc1cccc(NC(=O)[C@@H](CC[NH3+])CC(C)C)c1C ZINC000076675543 177055981 /nfs/dbraw/zinc/05/59/81/177055981.db2.gz LJDIWDGERDTWSJ-AWEZNQCLSA-N 1 0 262.397 3.253 10 0 CGAERO Cc1cc(C)cc(NC(=O)CC[C@@H](C[NH3+])C(C)C)c1 ZINC000076676053 177056073 /nfs/dbraw/zinc/05/60/73/177056073.db2.gz QGLYFSIPVSQGPR-AWEZNQCLSA-N 1 0 262.397 3.253 10 0 CGAERO CC[C@@H](CCC[NH3+])C(=O)Nc1c(C)cc(C)cc1C ZINC000076675891 177056130 /nfs/dbraw/zinc/05/61/30/177056130.db2.gz CZXQCEOJUOLCDO-AWEZNQCLSA-N 1 0 262.397 3.315 10 0 CGAERO COc1ccc([C@@H](CC[NH3+])C2CCCC2)c(OC)c1 ZINC000076678572 177057046 /nfs/dbraw/zinc/05/70/46/177057046.db2.gz YBCAKXQMBZZIMO-AWEZNQCLSA-N 1 0 263.381 3.326 10 0 CGAERO COc1cc(C)c([C@H](CC[NH3+])C2CCC2)cc1OC ZINC000076678604 177057130 /nfs/dbraw/zinc/05/71/30/177057130.db2.gz NJJYAYKKSJXQOA-CYBMUJFWSA-N 1 0 263.381 3.245 10 0 CGAERO CC[C@H](C[NH3+])CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000076719115 177069413 /nfs/dbraw/zinc/06/94/13/177069413.db2.gz DPVDIGYZGTUPGC-VIFPVBQESA-N 1 0 274.286 3.019 10 0 CGAERO Cc1ccc(NC(=O)[C@H](C)CCC[NH3+])cc1Br ZINC000076870232 177125337 /nfs/dbraw/zinc/12/53/37/177125337.db2.gz OGQAWWQFZWMMKH-SNVBAGLBSA-N 1 0 299.212 3.071 10 0 CGAERO COc1cc(F)c([C@@H](C)CC[NH2+]C2CC2)cc1F ZINC000077610181 177286770 /nfs/dbraw/zinc/28/67/70/177286770.db2.gz ALQMAEWMEODJFF-VIFPVBQESA-N 1 0 255.308 3.219 10 0 CGAERO C[C@H](CCCCO)[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000398559066 416544162 /nfs/dbraw/zinc/54/41/62/416544162.db2.gz CNDZTRYZLAHLKH-GRYCIOLGSA-N 1 0 267.335 3.248 10 0 CGAERO CC(C)C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]1 ZINC000725261704 544114002 /nfs/dbraw/zinc/11/40/02/544114002.db2.gz DBLOOZUQVPPYDO-AGIUHOORSA-N 1 0 270.417 3.066 10 0 CGAERO C[NH2+][C@@H](c1cc2cc(C(=O)OC)cc(C)c2o1)C(C)C ZINC000725264886 544114129 /nfs/dbraw/zinc/11/41/29/544114129.db2.gz QNXVCKNRELMRPR-CQSZACIVSA-N 1 0 275.348 3.444 10 0 CGAERO C[C@@H]([NH2+]C1CC(CO)C1)c1cc2ccccc2s1 ZINC000658353545 418948330 /nfs/dbraw/zinc/94/83/30/418948330.db2.gz ONCATEXVEFRVLX-XSRFYTQQSA-N 1 0 261.390 3.323 10 0 CGAERO OCC1CC([NH2+][C@H]2CCCC[C@H]2c2ccccc2)C1 ZINC000658357149 418949670 /nfs/dbraw/zinc/94/96/70/418949670.db2.gz SCJXKQKWOKCXDD-KMZOKZLKSA-N 1 0 259.393 3.073 10 0 CGAERO CC(C)(C)[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000660454118 419145610 /nfs/dbraw/zinc/14/56/10/419145610.db2.gz VLRZJGZZQFFQGS-RBSFLKMASA-N 1 0 253.430 3.296 10 0 CGAERO C[N@H+](C[C@@H]1CCC[C@@H](O)C1)C1CCC(F)(F)CC1 ZINC000660557626 419162382 /nfs/dbraw/zinc/16/23/82/419162382.db2.gz MXJNTVMOOFJZOP-DGCLKSJQSA-N 1 0 261.356 3.047 10 0 CGAERO CCC1(CC)CCC[N@H+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000661672882 419284710 /nfs/dbraw/zinc/28/47/10/419284710.db2.gz QKKQVRLIJUZMJJ-HUUCEWRRSA-N 1 0 253.430 3.440 10 0 CGAERO CCn1nc(C)c([C@H](C)[NH2+]CCc2ccoc2)c1C ZINC000658200414 419655873 /nfs/dbraw/zinc/65/58/73/419655873.db2.gz NJKDWGZBAWGRNN-NSHDSACASA-N 1 0 261.369 3.006 10 0 CGAERO COC1CC([NH2+][C@@H]2c3ccccc3CCC2(C)C)C1 ZINC000221242964 261311331 /nfs/dbraw/zinc/31/13/31/261311331.db2.gz ZRCIHVLUZCZOPB-ZBCRRDGASA-N 1 0 259.393 3.467 10 0 CGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CN1C1CC1 ZINC000221939255 262332919 /nfs/dbraw/zinc/33/29/19/262332919.db2.gz NGQNSXDVTCBIKV-LPWJVIDDSA-N 1 0 290.373 3.322 10 0 CGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000216335042 262349473 /nfs/dbraw/zinc/34/94/73/262349473.db2.gz PTAYKKRWBIWTKU-COXVUDFISA-N 1 0 288.435 3.336 10 0 CGAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C[C@H]1CCCCC1(F)F ZINC000390915002 262363352 /nfs/dbraw/zinc/36/33/52/262363352.db2.gz DKWDNUYCMUQPTH-RBSFLKMASA-N 1 0 286.410 3.371 10 0 CGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cccc2c1OCCCO2 ZINC000231674568 287643313 /nfs/dbraw/zinc/64/33/13/287643313.db2.gz ZLDKHPXGNDILCG-TZMCWYRMSA-N 1 0 261.365 3.126 10 0 CGAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@H](C)c1ccc(F)cc1 ZINC000037167107 270028943 /nfs/dbraw/zinc/02/89/43/270028943.db2.gz YZGPYPITQNXBNB-CJNGLKHVSA-N 1 0 266.404 3.453 10 0 CGAERO COc1ccccc1C[C@@H](C)[NH2+][C@@H](CC(C)C)CN(C)C ZINC000037321605 270029147 /nfs/dbraw/zinc/02/91/47/270029147.db2.gz IBLWKAVTRHKCRL-WBVHZDCISA-N 1 0 292.467 3.192 10 0 CGAERO CCc1ccc([C@@H](C)[NH2+][C@H]2CCCN(CC)C2)s1 ZINC000041632176 270031510 /nfs/dbraw/zinc/03/15/10/270031510.db2.gz FXWIFSSBYIQWMY-OLZOCXBDSA-N 1 0 266.454 3.445 10 0 CGAERO CCCNC(=O)CC[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000045071699 270037920 /nfs/dbraw/zinc/03/79/20/270037920.db2.gz BWCMZEMZYHMXKI-KGLIPLIRSA-N 1 0 268.445 3.097 10 0 CGAERO C[C@@H]1C[C@@H](C(=O)NC2CC[NH+](C3CC3)CC2)CC(C)(C)C1 ZINC000182981523 270054976 /nfs/dbraw/zinc/05/49/76/270054976.db2.gz MFCDKNGSZLNGHZ-ZIAGYGMSSA-N 1 0 292.467 3.192 10 0 CGAERO CCC[C@H](C)[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000187683644 270069067 /nfs/dbraw/zinc/06/90/67/270069067.db2.gz WVHKARRSANPCCN-GJZGRUSLSA-N 1 0 296.480 3.242 10 0 CGAERO O[C@@]12CCCC[C@H]1C[N@H+](CCSc1ccccc1)CC2 ZINC000220337449 270085867 /nfs/dbraw/zinc/08/58/67/270085867.db2.gz CHEQJSFCQSDKBJ-DOTOQJQBSA-N 1 0 291.460 3.406 10 0 CGAERO O[C@]12CCCC[C@H]1C[N@H+](Cc1ccc(Cl)cc1)CC2 ZINC000220380534 270085988 /nfs/dbraw/zinc/08/59/88/270085988.db2.gz PMNMOGYHKDUDNI-HOCLYGCPSA-N 1 0 279.811 3.467 10 0 CGAERO CC(C)(C)[C@H](O)C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000324632373 270094440 /nfs/dbraw/zinc/09/44/40/270094440.db2.gz UEMQTHWGIOJJFU-OUAUKWLOSA-N 1 0 267.335 3.104 10 0 CGAERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000324632372 270094491 /nfs/dbraw/zinc/09/44/91/270094491.db2.gz UEMQTHWGIOJJFU-GMTAPVOTSA-N 1 0 267.335 3.104 10 0 CGAERO C[C@H]1CC(C[NH2+]Cc2ccc3cc[nH]c3c2)C[C@H](C)O1 ZINC000527701765 270132486 /nfs/dbraw/zinc/13/24/86/270132486.db2.gz AFAPWBSCJJQLRN-STQMWFEESA-N 1 0 272.392 3.461 10 0 CGAERO Cc1ccc(C(F)(F)F)cc1NC(=O)c1c[nH+]ccc1N ZINC000178007165 274738249 /nfs/dbraw/zinc/73/82/49/274738249.db2.gz YYZOHSFBCJQRLW-UHFFFAOYSA-N 1 0 295.264 3.243 10 0 CGAERO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1cccc(F)c1 ZINC000249176700 287806351 /nfs/dbraw/zinc/80/63/51/287806351.db2.gz FLVQAENMSYGFSQ-CWRNSKLLSA-N 1 0 265.372 3.418 10 0 CGAERO c1csc(N2CCC[N@@H+](C[C@@H]3CC=CCC3)CC2)n1 ZINC000245561654 275074996 /nfs/dbraw/zinc/07/49/96/275074996.db2.gz NXJZXSNAVBSONZ-CQSZACIVSA-N 1 0 277.437 3.012 10 0 CGAERO C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000249371234 287812345 /nfs/dbraw/zinc/81/23/45/287812345.db2.gz BVEMQQGJXBUFPE-RBSFLKMASA-N 1 0 280.456 3.192 10 0 CGAERO CC(=O)N1CC[C@H]([NH2+][C@@H](C)C2CC2)c2ccc(F)cc2C1 ZINC000184522984 275468738 /nfs/dbraw/zinc/46/87/38/275468738.db2.gz RLEWOFKIJPFDSV-GTNSWQLSSA-N 1 0 290.382 3.007 10 0 CGAERO CC(C)c1nc2n(n1)C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)C1)CC2 ZINC000124198862 276066860 /nfs/dbraw/zinc/06/68/60/276066860.db2.gz ORXVKQWNDDCLOZ-RBSFLKMASA-N 1 0 290.455 3.132 10 0 CGAERO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000181753652 276462981 /nfs/dbraw/zinc/46/29/81/276462981.db2.gz AFLBSJWYNGTYRO-BZUAXINKSA-N 1 0 288.439 3.004 10 0 CGAERO CCc1nn(-c2ccccc2)c2c1C[NH2+][C@H](C)c1cccn1-2 ZINC000049454583 276699433 /nfs/dbraw/zinc/69/94/33/276699433.db2.gz CVYWKGPZGGRXCD-CYBMUJFWSA-N 1 0 292.386 3.390 10 0 CGAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C ZINC000395237268 288007442 /nfs/dbraw/zinc/00/74/42/288007442.db2.gz JVNASPPTIFQYFQ-AJNGGQMLSA-N 1 0 280.456 3.096 10 0 CGAERO CC1(C)C[C@@H]([NH2+][C@@H]2CC(C)(C)Oc3ccccc32)CO1 ZINC000396625496 288014693 /nfs/dbraw/zinc/01/46/93/288014693.db2.gz FHCFULSFSFEREX-TZMCWYRMSA-N 1 0 275.392 3.446 10 0 CGAERO CC1(C)CCC[C@H](CC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)C1 ZINC000335051417 278239859 /nfs/dbraw/zinc/23/98/59/278239859.db2.gz IWDGUDFTJREMAS-KGLIPLIRSA-N 1 0 280.456 3.179 10 0 CGAERO C[C@H](C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1)C1CCCCC1 ZINC000398775701 288048193 /nfs/dbraw/zinc/04/81/93/288048193.db2.gz IOTJHELTEIJCNM-XLNGHYISSA-N 1 0 265.441 3.296 10 0 CGAERO CC(C)[C@H](C(=O)N[C@@H](C)c1ccc(Cl)s1)[C@H](C)[NH3+] ZINC000399494731 288052228 /nfs/dbraw/zinc/05/22/28/288052228.db2.gz HTJIVWSIHRTVQO-AUTRQRHGSA-N 1 0 288.844 3.198 10 0 CGAERO Cc1nc([C@@H]2CCCN2CC[NH+]2CCCCC2)cs1 ZINC000189750967 279106449 /nfs/dbraw/zinc/10/64/49/279106449.db2.gz QIJRDKQJDMWSGY-HNNXBMFYSA-N 1 0 279.453 3.074 10 0 CGAERO Cc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2[NH3+])cc1 ZINC000032629330 280957148 /nfs/dbraw/zinc/95/71/48/280957148.db2.gz VRDXVYZGXWMVNA-GJZGRUSLSA-N 1 0 290.407 3.047 10 0 CGAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCCCC(F)(F)F ZINC000252705565 281198981 /nfs/dbraw/zinc/19/89/81/281198981.db2.gz QQABPPGUHIWKIR-STQMWFEESA-N 1 0 278.362 3.278 10 0 CGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1csc(C)c1C ZINC000180312187 288311216 /nfs/dbraw/zinc/31/12/16/288311216.db2.gz RVEODIPEGMEUCF-UONOGXRCSA-N 1 0 292.448 3.064 10 0 CGAERO CCc1ccc([C@@H](CC)[NH2+]CCn2cc(C)cn2)cc1 ZINC000123953712 288548038 /nfs/dbraw/zinc/54/80/38/288548038.db2.gz KFFKKYKHLGVIMG-QGZVFWFLSA-N 1 0 271.408 3.495 10 0 CGAERO C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000246817977 290249007 /nfs/dbraw/zinc/24/90/07/290249007.db2.gz AENJZBBOORWRSC-WBMJQRKESA-N 1 0 273.355 3.457 10 0 CGAERO [NH3+][C@H]1Cc2ccccc2N(C[C@H]2CCCC(F)(F)C2)C1 ZINC000261562470 295343448 /nfs/dbraw/zinc/34/34/48/295343448.db2.gz TXZPSBUXNGVJNK-JSGCOSHPSA-N 1 0 280.362 3.202 10 0 CGAERO Cc1cc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)sc1C ZINC000120242314 301144638 /nfs/dbraw/zinc/14/46/38/301144638.db2.gz AEBMOSBEKGMKOI-CYBMUJFWSA-N 1 0 282.453 3.071 10 0 CGAERO CCN1CC[C@@H]([NH2+][C@H](C)c2cc3c(s2)CCCC3)C1 ZINC000389547637 328944500 /nfs/dbraw/zinc/94/45/00/328944500.db2.gz MWWKKFBPVZDMLQ-TZMCWYRMSA-N 1 0 278.465 3.372 10 0 CGAERO CCC[C@H](C(=O)N[C@H](C)c1ccc(C)c(F)c1)[NH+](C)C ZINC000153711971 321725555 /nfs/dbraw/zinc/72/55/55/321725555.db2.gz BZAVURGLKAWGGH-IUODEOHRSA-N 1 0 280.387 3.042 10 0 CGAERO OC1CC(C[NH2+]Cc2cccc(OCc3ccccc3)c2)C1 ZINC000394407176 329119054 /nfs/dbraw/zinc/11/90/54/329119054.db2.gz GORWLGZRLHYHTH-UHFFFAOYSA-N 1 0 297.398 3.126 10 0 CGAERO CC[C@H](C)[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000379632359 330144449 /nfs/dbraw/zinc/14/44/49/330144449.db2.gz NPWKKNLUTOWKIG-RDJZCZTQSA-N 1 0 260.425 3.429 10 0 CGAERO Brc1ccc2cc([C@H]3CC[NH2+]C3)[nH]c2c1 ZINC000096885647 330381717 /nfs/dbraw/zinc/38/17/17/330381717.db2.gz VFGRPFPNFBSPAY-VIFPVBQESA-N 1 0 265.154 3.007 10 0 CGAERO [NH3+]C[C@H](c1ccc(Br)cc1)C1(CO)CCCC1 ZINC000536952203 330382526 /nfs/dbraw/zinc/38/25/26/330382526.db2.gz BHHBUMBJBQZFHW-CYBMUJFWSA-N 1 0 298.224 3.044 10 0 CGAERO C[C@H]([NH2+]Cc1cccn1C)c1cccc(-n2ccnc2)c1 ZINC000174651364 335162301 /nfs/dbraw/zinc/16/23/01/335162301.db2.gz PFQUOWOUSMLBJY-AWEZNQCLSA-N 1 0 280.375 3.062 10 0 CGAERO CCC[C@H](C)C[NH2+]C1(c2noc(CC)n2)CCCC1 ZINC000181795036 335785804 /nfs/dbraw/zinc/78/58/04/335785804.db2.gz YEVGXPKYRAUXFQ-LBPRGKRZSA-N 1 0 265.401 3.427 10 0 CGAERO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000182227093 335804884 /nfs/dbraw/zinc/80/48/84/335804884.db2.gz YJQVEDGJNPDOFE-WTOJCKNJSA-N 1 0 297.446 3.491 10 0 CGAERO CCn1c(C)nnc1C[N@H+](C1CC1)C1CCC(C)CC1 ZINC000195090217 336044875 /nfs/dbraw/zinc/04/48/75/336044875.db2.gz JZLOEPLDGOIFQW-UHFFFAOYSA-N 1 0 276.428 3.150 10 0 CGAERO CC(C)C[NH2+]CCC[C@@H](C)n1ccc(C(F)(F)F)n1 ZINC000052592608 519743763 /nfs/dbraw/zinc/74/37/63/519743763.db2.gz QHRPVIIMFQNWID-LLVKDONJSA-N 1 0 277.334 3.489 10 0 CGAERO CCC[NH2+]C[C@H]1CCN(c2cccc(Cl)c2C)C1 ZINC000053011015 519936850 /nfs/dbraw/zinc/93/68/50/519936850.db2.gz AMLFLTKQQAYKGE-CYBMUJFWSA-N 1 0 266.816 3.474 10 0 CGAERO CCC[NH2+]Cc1cnc(-c2ccc(CC)cc2)nc1 ZINC000054855816 519961092 /nfs/dbraw/zinc/96/10/92/519961092.db2.gz YRMLMRJGXBNGRH-UHFFFAOYSA-N 1 0 255.365 3.206 10 0 CGAERO CC[NH2+][C@@H](Cc1ccc(F)cc1Cl)c1cnn(C)c1 ZINC000062608243 520104535 /nfs/dbraw/zinc/10/45/35/520104535.db2.gz GCUWHGLUGLXVNK-AWEZNQCLSA-N 1 0 281.762 3.106 10 0 CGAERO CC[NH2+][C@H](Cc1ccc(F)cc1Cl)c1cnn(C)c1 ZINC000062608248 520202238 /nfs/dbraw/zinc/20/22/38/520202238.db2.gz GCUWHGLUGLXVNK-CQSZACIVSA-N 1 0 281.762 3.106 10 0 CGAERO CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1N(C)CC(C)C ZINC000054554935 520219072 /nfs/dbraw/zinc/21/90/72/520219072.db2.gz YKPKFYMGFZVWIN-JYJNAYRXSA-N 1 0 254.462 3.377 10 0 CGAERO CCCCN(C(=O)[C@@H]1CCC[C@H](C[NH3+])C1)[C@@H](C)CC ZINC000055161168 520352651 /nfs/dbraw/zinc/35/26/51/520352651.db2.gz FBZFNZSXIXLFML-SOUVJXGZSA-N 1 0 268.445 3.179 10 0 CGAERO CCCCN([C@@H](C[NH3+])c1ccc(F)cc1C)C1CC1 ZINC000050578949 520551431 /nfs/dbraw/zinc/55/14/31/520551431.db2.gz BLWAUBCTOJBXON-INIZCTEOSA-N 1 0 264.388 3.398 10 0 CGAERO CCC[C@@H](C)[N@H+](C)[C@@H](CN)c1ccc(OC)c(C)c1 ZINC000050596672 520648038 /nfs/dbraw/zinc/64/80/38/520648038.db2.gz FTTLOVZUVMTZMW-HIFRSBDPSA-N 1 0 264.413 3.124 10 0 CGAERO CCOc1ccc([C@@H]([NH3+])Cc2csc(C)n2)cc1 ZINC000055294722 521228428 /nfs/dbraw/zinc/22/84/28/521228428.db2.gz JZRFSNYFJKSADR-AWEZNQCLSA-N 1 0 262.378 3.093 10 0 CGAERO CCCN(CC(F)(F)F)[C@@H](C)CC[NH2+]CC(C)C ZINC000052504208 521585656 /nfs/dbraw/zinc/58/56/56/521585656.db2.gz CSEQZZWYSTYFBY-LBPRGKRZSA-N 1 0 268.367 3.285 10 0 CGAERO CCCN(CCC[C@@H]1CCCC[NH2+]1)CC(F)(F)F ZINC000050953858 521653223 /nfs/dbraw/zinc/65/32/23/521653223.db2.gz GRAGIQVAOHSJTG-LBPRGKRZSA-N 1 0 266.351 3.183 10 0 CGAERO CCc1nc(N(C)c2ccc(F)cc2)sc1C[NH3+] ZINC000054999704 522381424 /nfs/dbraw/zinc/38/14/24/522381424.db2.gz BWMGZXJSMFVZOH-UHFFFAOYSA-N 1 0 265.357 3.071 10 0 CGAERO C[NH2+][C@H](Cc1csc(C)n1)Cc1cccc(F)c1F ZINC000055295190 522475158 /nfs/dbraw/zinc/47/51/58/522475158.db2.gz ZUXBHWMPCKUPIO-NSHDSACASA-N 1 0 282.359 3.103 10 0 CGAERO CC(C)(C)OC1CC([NH+]2C[C@@H]3CCCC[C@H]3C2)C1 ZINC000335126868 517386586 /nfs/dbraw/zinc/38/65/86/517386586.db2.gz XGSCAWVPWPLJAF-HESLUPGFSA-N 1 0 251.414 3.455 10 0 CGAERO CCCCOc1c(Cl)cc(CC[NH3+])cc1OC ZINC000011893893 517565139 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522499222 /nfs/dbraw/zinc/49/92/22/522499222.db2.gz OVOVRIZFAZUQFV-ONGXEEELSA-N 1 0 259.271 3.441 10 0 CGAERO CC[C@H]([NH2+]C)c1ccccc1OCCOC(C)C ZINC000049259033 522557762 /nfs/dbraw/zinc/55/77/62/522557762.db2.gz GNTTZZQVPQOEBN-AWEZNQCLSA-N 1 0 251.370 3.161 10 0 CGAERO COc1cc(N2CCCCC2=[NH2+])c(OC)cc1Cl ZINC000049583986 522633130 /nfs/dbraw/zinc/63/31/30/522633130.db2.gz TYFBARCERXRWOF-UHFFFAOYSA-N 1 0 268.744 3.325 10 0 CGAERO CN(CC[C@H]([NH3+])c1ccc(Cl)cc1)CC(F)(F)F ZINC000053980538 522930936 /nfs/dbraw/zinc/93/09/36/522930936.db2.gz CUEVKCSCYZCONH-NSHDSACASA-N 1 0 280.721 3.224 10 0 CGAERO CN(c1ncc(C[NH2+]C(C)(C)C)cc1Cl)C1CC1 ZINC000051439289 523666466 /nfs/dbraw/zinc/66/64/66/523666466.db2.gz SYACVLKUEMHELG-UHFFFAOYSA-N 1 0 267.804 3.222 10 0 CGAERO COc1ccc(C(C)(C)C)cc1[C@@H](O)C[NH2+]C(C)C ZINC000049857993 523786291 /nfs/dbraw/zinc/78/62/91/523786291.db2.gz UMTRQDIHVWPCPT-AWEZNQCLSA-N 1 0 265.397 3.024 10 0 CGAERO CC[C@H](C)CNC(=O)Nc1cccc([C@@H](C)[NH2+]C)c1 ZINC000054491502 523882463 /nfs/dbraw/zinc/88/24/63/523882463.db2.gz UXUAKXROBWELPB-NWDGAFQWSA-N 1 0 263.385 3.135 10 0 CGAERO C[NH+](C)CCCCNc1ccccc1C(F)(F)F ZINC000051692272 524052961 /nfs/dbraw/zinc/05/29/61/524052961.db2.gz WBYAEMRABACPQE-UHFFFAOYSA-N 1 0 260.303 3.459 10 0 CGAERO COc1ccc(C[NH2+]CC(C)C)c(OC(C)C)c1 ZINC000062733176 524069076 /nfs/dbraw/zinc/06/90/76/524069076.db2.gz KMAQKVYIYBGWFM-UHFFFAOYSA-N 1 0 251.370 3.228 10 0 CGAERO COc1cccc([C@@H]2CC[NH2+][C@H]2CC(C)C)c1OC ZINC000054929104 524119319 /nfs/dbraw/zinc/11/93/19/524119319.db2.gz BDVSHYWABBUHQK-JSGCOSHPSA-N 1 0 263.381 3.195 10 0 CGAERO COc1cccc([C@H](C[NH2+]C(C)C)OCC(C)C)c1 ZINC000050492349 524161387 /nfs/dbraw/zinc/16/13/87/524161387.db2.gz UWDNDKGNADLLHS-INIZCTEOSA-N 1 0 265.397 3.407 10 0 CGAERO C[C@@H]1CCC[C@@H](N(C)Cc2[nH+]c(NN)ccc2Cl)C1 ZINC000061631446 524299829 /nfs/dbraw/zinc/29/98/29/524299829.db2.gz ZAJBWBCGFHFCQG-GHMZBOCLSA-N 1 0 282.819 3.031 10 0 CGAERO COc1ccccc1N(C)c1nc(C)c([C@@H](C)[NH3+])s1 ZINC000054897317 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AIMVJLZDYMUZMU-NEPJUHHUSA-N 1 0 252.789 3.225 10 0 CGAERO CC[C@H]1C[NH2+][C@H](C(C)C)CN1c1ccccc1F ZINC000083383618 536169958 /nfs/dbraw/zinc/16/99/58/536169958.db2.gz HBPBLJSBIFEARE-JSGCOSHPSA-N 1 0 250.361 3.039 10 0 CGAERO C[C@H](NC(=O)CC[C@H]1CCC[NH2+]1)c1ccc(Cl)s1 ZINC000261558766 572344949 /nfs/dbraw/zinc/34/49/49/572344949.db2.gz DIMSOSPOFSBEAX-VHSXEESVSA-N 1 0 286.828 3.111 10 0 CGAERO CC(C)[C@@H]1[NH2+]C2(CC(CF)(CF)C2)OCC1(C)C ZINC000757153843 617819731 /nfs/dbraw/zinc/81/97/31/617819731.db2.gz YARUTDMLFLXWCV-NSHDSACASA-N 1 0 261.356 3.073 10 0 CGAERO [NH3+]CC1(c2ccc(OC(F)(F)F)cc2)CC(F)(F)C1 ZINC000757188490 617838143 /nfs/dbraw/zinc/83/81/43/617838143.db2.gz BSPGWPZXAZOFIW-UHFFFAOYSA-N 1 0 281.224 3.211 10 0 CGAERO CSc1ccc(-c2nc(C[C@H]3CCC[NH2+]C3)no2)cc1 ZINC000092233939 618178809 /nfs/dbraw/zinc/17/88/09/618178809.db2.gz WUXASNJLEKMSEN-LLVKDONJSA-N 1 0 289.404 3.001 10 0 CGAERO COc1ccccc1/C=C\CN1CC[N@H+](C(C)C)[C@@H](C)C1 ZINC000096861296 618206268 /nfs/dbraw/zinc/20/62/68/618206268.db2.gz XFIBKKIWHFZMPS-GQSKFBFOSA-N 1 0 288.435 3.123 10 0 CGAERO C[C@H]([NH2+]C[C@H](O)c1cccc(Cl)c1)C(C)(C)C ZINC000072632895 625319643 /nfs/dbraw/zinc/31/96/43/625319643.db2.gz JCURWOALSRNZOY-GWCFXTLKSA-N 1 0 255.789 3.398 10 0 CGAERO CC(C)(C)c1ccc2c(c1)CCN2C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000236712333 619166252 /nfs/dbraw/zinc/16/62/52/619166252.db2.gz BKGFSPBRNGSXAL-ZFWWWQNUSA-N 1 0 286.419 3.001 10 0 CGAERO [NH3+]Cc1cc(-c2cccc3c2OCCCO3)ccc1F ZINC000313388732 619170292 /nfs/dbraw/zinc/17/02/92/619170292.db2.gz XDMRRWSQDKLWFA-UHFFFAOYSA-N 1 0 273.307 3.113 10 0 CGAERO C[C@H]1CN(Cc2ccc(SC(F)(F)F)cc2)C[C@H]1[NH3+] ZINC000261567692 619289964 /nfs/dbraw/zinc/28/99/64/619289964.db2.gz ILUDCVAVXOKVNT-JOYOIKCWSA-N 1 0 290.354 3.078 10 0 CGAERO C[C@H](C[NH3+])c1noc(-c2cc3c(s2)CCCCC3)n1 ZINC000054158540 619443797 /nfs/dbraw/zinc/44/37/97/619443797.db2.gz JZRVXCOSCCPJSA-SECBINFHSA-N 1 0 277.393 3.129 10 0 CGAERO CCON1CCC([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000323466285 620553414 /nfs/dbraw/zinc/55/34/14/620553414.db2.gz ILDGDAGKFLDHSY-DGCLKSJQSA-N 1 0 294.361 3.113 10 0 CGAERO Cc1nn(C)c(Cl)c1C[NH2+][C@H]1CCc2ccccc21 ZINC000164424890 622834789 /nfs/dbraw/zinc/83/47/89/622834789.db2.gz KSPRCLUKHMEHPC-AWEZNQCLSA-N 1 0 275.783 3.159 10 0 CGAERO O[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000227065841 623008099 /nfs/dbraw/zinc/00/80/99/623008099.db2.gz MOFVPRHATBAJBR-UYJHQMFVSA-N 1 0 251.414 3.096 10 0 CGAERO Cc1cccc(NC[C@H]2CC[N@H+](C[Si](C)(C)C)C2)n1 ZINC000171736082 623187285 /nfs/dbraw/zinc/18/72/85/623187285.db2.gz HTOMXAPCIFADEB-CQSZACIVSA-N 1 0 277.488 3.001 10 0 CGAERO CC[C@H]([NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000230412610 623239390 /nfs/dbraw/zinc/23/93/90/623239390.db2.gz DLLPUMQCBIBMAE-KBPBESRZSA-N 1 0 284.444 3.268 10 0 CGAERO Fc1ccc(-c2nc(C[C@H]3CCC[NH2+]C3)no2)c(Cl)c1 ZINC000063084473 623291856 /nfs/dbraw/zinc/29/18/56/623291856.db2.gz LQCQVVNJYFNTQQ-SECBINFHSA-N 1 0 295.745 3.071 10 0 CGAERO CC(C)c1ccc(-c2nc(C[C@@H]3CCC[NH2+]C3)no2)cc1 ZINC000063084592 623293986 /nfs/dbraw/zinc/29/39/86/623293986.db2.gz HSQHBHGOJKBKKP-ZDUSSCGKSA-N 1 0 285.391 3.402 10 0 CGAERO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]CC1CCC(C)CC1 ZINC000232811199 623764036 /nfs/dbraw/zinc/76/40/36/623764036.db2.gz YLAPTQIHBNHVOZ-ROKHWSDSSA-N 1 0 284.444 3.316 10 0 CGAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]CC2CCCC2)C1 ZINC000083799216 625710442 /nfs/dbraw/zinc/71/04/42/625710442.db2.gz UYGZIWLJPDNHEV-OAHLLOKOSA-N 1 0 296.455 3.413 10 0 CGAERO Cn1c(C[N@H+](C)C2CCCCCCC2)nnc1C1CC1 ZINC000155044132 624415433 /nfs/dbraw/zinc/41/54/33/624415433.db2.gz ZUQWVSBBGWPFKE-UHFFFAOYSA-N 1 0 276.428 3.237 10 0 CGAERO C[C@H](C[NH3+])c1noc(Cc2ccc(Cl)c(Cl)c2)n1 ZINC000070579635 625021820 /nfs/dbraw/zinc/02/18/20/625021820.db2.gz QLBJDKMDZPWSQQ-SSDOTTSWSA-N 1 0 286.162 3.029 10 0 CGAERO COC(=O)c1cccnc1C[NH+]1CCCCCCCC1 ZINC000321808180 626084516 /nfs/dbraw/zinc/08/45/16/626084516.db2.gz AIPQAJIYXOHBFV-UHFFFAOYSA-N 1 0 276.380 3.024 10 0 CGAERO CC(C)(C)OC(=O)[C@]1(F)C[C@@H](C(C)(C)C)CC[C@H]1[NH3+] ZINC000757183314 630588121 /nfs/dbraw/zinc/58/81/21/630588121.db2.gz NPRWLMIOVPRVEA-RWSFTLGLSA-N 1 0 273.392 3.210 10 0 CGAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]CC12CCC(C)(C)CC2 ZINC000757186053 630588672 /nfs/dbraw/zinc/58/86/72/630588672.db2.gz VLHWFZNMOUKIKK-GFCCVEGCSA-N 1 0 267.413 3.134 10 0 CGAERO C[C@H](NC(=O)C[C@@H]([NH3+])C1CC1)c1ccc(C(C)(C)C)cc1 ZINC000123647748 633779923 /nfs/dbraw/zinc/77/99/23/633779923.db2.gz MYBCWXQBYCVRNK-BLLLJJGKSA-N 1 0 288.435 3.289 10 0 CGAERO C[C@H]([NH2+][C@H]1CCCOC1)c1nc2ccccc2s1 ZINC000103967101 635043058 /nfs/dbraw/zinc/04/30/58/635043058.db2.gz OWLOXGFSUDGWBL-QWRGUYRKSA-N 1 0 262.378 3.126 10 0 CGAERO C[C@H]([NH2+][C@H]1C[C@H]1C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000105784772 636009365 /nfs/dbraw/zinc/00/93/65/636009365.db2.gz SQXUYAZSXDGVME-RQJABVFESA-N 1 0 282.428 3.020 10 0 CGAERO C[C@@H]([NH2+][C@H]1CC1(C)C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000216277694 637136712 /nfs/dbraw/zinc/13/67/12/637136712.db2.gz LOXLVUPOWBQYGW-MCIONIFRSA-N 1 0 296.455 3.410 10 0 CGAERO Cc1cccc(C[NH2+]C(C)(C)CNC(=O)OC(C)(C)C)c1 ZINC000221051294 637718365 /nfs/dbraw/zinc/71/83/65/637718365.db2.gz QXRGZNIYCZJMFK-UHFFFAOYSA-N 1 0 292.423 3.388 10 0 CGAERO C[C@@H](CNC(=O)c1c(F)cccc1Cl)[NH+]1CCCCC1 ZINC000036077467 639184729 /nfs/dbraw/zinc/18/47/29/639184729.db2.gz GEGKHWPHILGHLD-NSHDSACASA-N 1 0 298.789 3.083 10 0 CGAERO Cc1cccc(-c2noc([C@@H]3CCCC[C@H]3C[NH3+])n2)c1 ZINC000089383403 640642426 /nfs/dbraw/zinc/64/24/26/640642426.db2.gz VVMNWBDRYLMPHH-UONOGXRCSA-N 1 0 271.364 3.278 10 0 CGAERO [NH3+]C[C@@H]1CCCC[C@H]1c1nc(-c2ccccc2F)no1 ZINC000089383591 640643329 /nfs/dbraw/zinc/64/33/29/640643329.db2.gz NTCBHKIPAMRWMW-WDEREUQCSA-N 1 0 275.327 3.108 10 0 CGAERO Cc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C[NH3+])c(Cl)c1 ZINC000089387337 640644004 /nfs/dbraw/zinc/64/40/04/640644004.db2.gz ISZGBMAFEVSMCF-NWDGAFQWSA-N 1 0 280.799 3.352 10 0 CGAERO Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089387058 640644757 /nfs/dbraw/zinc/64/47/57/640644757.db2.gz WYIGTDXTSODWMG-WCQYABFASA-N 1 0 280.799 3.352 10 0 CGAERO CCCCCC[C@H](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000246259425 640667466 /nfs/dbraw/zinc/66/74/66/640667466.db2.gz KWMLNRRHQXUFTM-SOUVJXGZSA-N 1 0 268.445 3.227 10 0 CGAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000246893061 640699517 /nfs/dbraw/zinc/69/95/17/640699517.db2.gz HGOJZFFHWMWLGB-RQJABVFESA-N 1 0 282.428 3.068 10 0 CGAERO COc1c(C[N@H+](C)C2CCCCCCC2)c(C)nn1C ZINC000092737039 640744706 /nfs/dbraw/zinc/74/47/06/640744706.db2.gz NXFAKSIQSLQQQA-UHFFFAOYSA-N 1 0 279.428 3.282 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000094370385 640795026 /nfs/dbraw/zinc/79/50/26/640795026.db2.gz ZWCGBMZIWSNXAQ-HZPDHXFCSA-N 1 0 282.472 3.044 10 0 CGAERO C/C(=C/C(C)(C)C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000588499023 799702613 /nfs/dbraw/zinc/70/26/13/799702613.db2.gz OJHNTRZJLQTEDZ-QBFSEMIESA-N 1 0 280.456 3.215 10 0 CGAERO [NH3+]Cc1ccc(-c2csc(-c3ccncc3)n2)cc1 ZINC000020267410 230372057 /nfs/dbraw/zinc/37/20/57/230372057.db2.gz NBTKWZASGUOAGW-UHFFFAOYSA-N 1 0 267.357 3.331 10 0 CGAERO CCC[NH2+]Cc1sc(CSC(C)C)nc1COC ZINC000082445837 178022382 /nfs/dbraw/zinc/02/23/82/178022382.db2.gz TZMXMVMBUUYJRQ-UHFFFAOYSA-N 1 0 288.482 3.431 10 0 CGAERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)N(C)c1ccccc1 ZINC000124613506 187146109 /nfs/dbraw/zinc/14/61/09/187146109.db2.gz VXNXUKQTWOCSCC-HNNXBMFYSA-N 1 0 282.387 3.309 10 0 CGAERO [NH3+]C[C@H]1c2cccc(Cl)c2CN1Cc1ccccc1 ZINC000082701457 178207132 /nfs/dbraw/zinc/20/71/32/178207132.db2.gz SFBPEFJCGUHDPM-INIZCTEOSA-N 1 0 272.779 3.356 10 0 CGAERO Cc1ccc([C@H]2CCCC[N@@H+]2Cc2cccc(C(N)=O)c2)o1 ZINC000124722245 187150904 /nfs/dbraw/zinc/15/09/04/187150904.db2.gz QSHFCFIBMXOYBU-MRXNPFEDSA-N 1 0 298.386 3.414 10 0 CGAERO [NH3+][C@@H]1CCCc2c1c(C1CC1)nn2Cc1ccccc1 ZINC000082826348 178323432 /nfs/dbraw/zinc/32/34/32/178323432.db2.gz JMIIUEWQYNXQBH-CQSZACIVSA-N 1 0 267.376 3.145 10 0 CGAERO O[C@H](c1ccc(Cl)c2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000083140644 178341221 /nfs/dbraw/zinc/34/12/21/178341221.db2.gz IQMBUPSHXPLOKB-LSDHHAIUSA-N 1 0 261.752 3.279 10 0 CGAERO Cc1ccc(Br)cc1-c1nc(CC[NH3+])cs1 ZINC000083256321 178372409 /nfs/dbraw/zinc/37/24/09/178372409.db2.gz DAXVRIJOJTWTJM-UHFFFAOYSA-N 1 0 297.221 3.382 10 0 CGAERO CC[NH2+][C@H](C)[C@H](O)c1ccc(SC(C)C)cc1 ZINC000096891035 185124650 /nfs/dbraw/zinc/12/46/50/185124650.db2.gz AWDUJHNSVYGDBU-RISCZKNCSA-N 1 0 253.411 3.219 10 0 CGAERO Cc1ncc(C[NH2+][C@H]2CCOc3c(C)cccc32)s1 ZINC000188950171 282156818 /nfs/dbraw/zinc/15/68/18/282156818.db2.gz UQSHIVVNLSBWRP-AWEZNQCLSA-N 1 0 274.389 3.373 10 0 CGAERO Cc1[nH+]ccc(N[C@H]2CCCCC[C@@H]2O)c1Cl ZINC000310562263 282191719 /nfs/dbraw/zinc/19/17/19/282191719.db2.gz WCZJODSNBOLLAY-JQWIXIFHSA-N 1 0 254.761 3.149 10 0 CGAERO Cn1cc(C[NH2+][C@H]2c3ccccc3CCC2(C)C)cn1 ZINC000126158373 187220626 /nfs/dbraw/zinc/22/06/26/187220626.db2.gz HSCZZCUPQMEKBC-INIZCTEOSA-N 1 0 269.392 3.223 10 0 CGAERO CN(CC(C)(C)C[NH3+])C(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000094546230 282366056 /nfs/dbraw/zinc/36/60/56/282366056.db2.gz LSWMDADUVBKQBH-UHFFFAOYSA-N 1 0 292.467 3.036 10 0 CGAERO CCC[NH+](CCC)[C@@H]1CCc2cc(F)c(N)cc2C1 ZINC000013741690 344880502 /nfs/dbraw/zinc/88/05/02/344880502.db2.gz ZCWXEQRWNZXNOJ-CQSZACIVSA-N 1 0 264.388 3.387 10 0 CGAERO CCc1ccc(C(=O)OC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000013586297 344880736 /nfs/dbraw/zinc/88/07/36/344880736.db2.gz IBTPITFWLATLDD-XYPWUTKMSA-N 1 0 273.376 3.031 10 0 CGAERO CCC[NH2+]C[C@H](O)c1ccc(OCc2ccccc2)cc1 ZINC000032131906 344930059 /nfs/dbraw/zinc/93/00/59/344930059.db2.gz RKEBQLVAZSZKLE-SFHVURJKSA-N 1 0 285.387 3.299 10 0 CGAERO CCC(S)(CC)CNCC[NH2+]CC(S)(CC)CC ZINC000033753461 344936650 /nfs/dbraw/zinc/93/66/50/344936650.db2.gz IRHMWRHFFWLHLM-UHFFFAOYSA-N 1 0 292.558 3.143 10 0 CGAERO CCC[C@@H](NC(=O)C1CCC([NH3+])CC1)c1ccccc1 ZINC000037629101 344952119 /nfs/dbraw/zinc/95/21/19/344952119.db2.gz WVMJSBUHYBXTIF-UYSNPLJNSA-N 1 0 274.408 3.162 10 0 CGAERO C[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1C[C@H]1C ZINC000035462973 344941743 /nfs/dbraw/zinc/94/17/43/344941743.db2.gz CWVKRKGYBYGUPM-GGZOMVNGSA-N 1 0 254.171 3.366 10 0 CGAERO C[C@@H]1CSc2c(Br)cccc2[C@H]1[NH3+] ZINC000035755537 344942809 /nfs/dbraw/zinc/94/28/09/344942809.db2.gz DMVBLYBXBCAOKD-MUWHJKNJSA-N 1 0 258.184 3.191 10 0 CGAERO CCCCC[C@@H]([NH3+])c1ccc(OC)c(OC)c1OC ZINC000036200725 344943537 /nfs/dbraw/zinc/94/35/37/344943537.db2.gz LNVRYAYTYOIVSM-GFCCVEGCSA-N 1 0 267.369 3.293 10 0 CGAERO O[C@H]1CCC[C@@H]([NH2+]Cc2c(Cl)cccc2Cl)C1 ZINC000037165368 344947889 /nfs/dbraw/zinc/94/78/89/344947889.db2.gz MZFXQQJHLRPMSA-ZJUUUORDSA-N 1 0 274.191 3.387 10 0 CGAERO CC(C)(C)c1ccc(C[NH2+][C@H]2CCC[C@@H](O)C2)cc1 ZINC000037164177 344948188 /nfs/dbraw/zinc/94/81/88/344948188.db2.gz KHNURCMULDBZCD-JKSUJKDBSA-N 1 0 261.409 3.377 10 0 CGAERO CC(C)[C@@](C)([NH3+])Cc1ccccc1Br ZINC000037463775 344950727 /nfs/dbraw/zinc/95/07/27/344950727.db2.gz ZGMQZGJMDDBVEC-LBPRGKRZSA-N 1 0 256.187 3.365 10 0 CGAERO O[C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)C1 ZINC000037424681 344950750 /nfs/dbraw/zinc/95/07/50/344950750.db2.gz QQDQVYOWICTKDC-QWHCGFSZSA-N 1 0 274.191 3.387 10 0 CGAERO CS[C@@H](c1ccccc1Br)[C@H](C)[NH3+] ZINC000043096407 344994546 /nfs/dbraw/zinc/99/45/46/344994546.db2.gz MFBUFPRKNGYCAU-OIBJUYFYSA-N 1 0 260.200 3.200 10 0 CGAERO Brc1ccc(S[C@H]2CCC[NH2+]C2)cc1 ZINC000043501674 344998754 /nfs/dbraw/zinc/99/87/54/344998754.db2.gz IMIUCUHHQNNWEG-NSHDSACASA-N 1 0 272.211 3.293 10 0 CGAERO [NH3+]Cc1cc2cc(Br)cc(Cl)c2o1 ZINC000052068897 345096604 /nfs/dbraw/zinc/09/66/04/345096604.db2.gz AGAGUOKDDYDFDQ-UHFFFAOYSA-N 1 0 260.518 3.307 10 0 CGAERO C[C@@H](c1ccccc1Cl)N(C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307887 345132154 /nfs/dbraw/zinc/13/21/54/345132154.db2.gz SFLSASPAHZPBNV-QWHCGFSZSA-N 1 0 294.826 3.249 10 0 CGAERO CC(C)COc1ccccc1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307618 345132234 /nfs/dbraw/zinc/13/22/34/345132234.db2.gz BEDSBNYCJGWPCR-CQSZACIVSA-N 1 0 290.407 3.050 10 0 CGAERO [NH3+][C@H](Cc1cc(Br)cs1)c1ccco1 ZINC000054455871 345135225 /nfs/dbraw/zinc/13/52/25/345135225.db2.gz IBGIRVJNBKQDKT-SECBINFHSA-N 1 0 272.167 3.346 10 0 CGAERO CC(C)c1ccc([C@H](O)[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000054685572 345137718 /nfs/dbraw/zinc/13/77/18/345137718.db2.gz FXPXIARXYUCZJL-MSOLQXFVSA-N 1 0 269.388 3.413 10 0 CGAERO CCCCC[C@H]([NH3+])c1cc(OC)c(OC)cc1F ZINC000061560618 345230404 /nfs/dbraw/zinc/23/04/04/345230404.db2.gz FNBNSBLCRDXSRJ-LBPRGKRZSA-N 1 0 255.333 3.423 10 0 CGAERO Cc1cc2ccccc2nc1N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000063106348 345243366 /nfs/dbraw/zinc/24/33/66/345243366.db2.gz LOEITBUHXNGOEC-ZFWWWQNUSA-N 1 0 269.392 3.343 10 0 CGAERO Brc1csc(C[C@@H]2CCC[NH2+]C2)c1 ZINC000069975086 345387647 /nfs/dbraw/zinc/38/76/47/345387647.db2.gz YENDCCNEQBOZJP-QMMMGPOBSA-N 1 0 260.200 3.053 10 0 CGAERO [NH3+][C@H]1CCCc2c1cnn2-c1ccc(OC(F)(F)F)cc1 ZINC000072415964 345409764 /nfs/dbraw/zinc/40/97/64/345409764.db2.gz QSRQNKTWQXJLKZ-LBPRGKRZSA-N 1 0 297.280 3.107 10 0 CGAERO C[C@@H]1SCC[NH2+][C@H]1c1ccc(Br)cc1 ZINC000070587987 345392176 /nfs/dbraw/zinc/39/21/76/345392176.db2.gz UQCZUQLNFCGEEY-GZMMTYOYSA-N 1 0 272.211 3.215 10 0 CGAERO C[NH2+][C@@H]1CC[C@H](Cc2ccc(Br)s2)C1 ZINC000070744289 345394784 /nfs/dbraw/zinc/39/47/84/345394784.db2.gz MAQANFBXIGZVPQ-DTWKUNHWSA-N 1 0 274.227 3.441 10 0 CGAERO OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000152327893 232209183 /nfs/dbraw/zinc/20/91/83/232209183.db2.gz BTGUZEZTOKUEMQ-JSGCOSHPSA-N 1 0 287.325 3.346 10 0 CGAERO CN(CC[NH+](C)C)c1ccc2c(Cl)ccnc2c1F ZINC000080685449 345683645 /nfs/dbraw/zinc/68/36/45/345683645.db2.gz FTOLOWLOSUXWBC-UHFFFAOYSA-N 1 0 281.762 3.025 10 0 CGAERO CC(C)c1noc(N2CCC[C@@H]([NH+]3CCCCCC3)C2)n1 ZINC000091482353 345816665 /nfs/dbraw/zinc/81/66/65/345816665.db2.gz NSNGVUDTBKGMLR-CQSZACIVSA-N 1 0 292.427 3.038 10 0 CGAERO [NH3+][C@H](c1ccc(Cl)cc1)[C@@H]1Cc2ccccc2[C@H]1O ZINC000090486523 345788542 /nfs/dbraw/zinc/78/85/42/345788542.db2.gz WCKAGTONKQFNQE-ARFHVFGLSA-N 1 0 273.763 3.246 10 0 CGAERO O=C(Nc1ccc([C@H]2CC[NH2+]C2)cc1)Oc1ccccc1 ZINC000117720398 345985583 /nfs/dbraw/zinc/98/55/83/345985583.db2.gz MOFBHNUIMUUQKK-AWEZNQCLSA-N 1 0 282.343 3.374 10 0 CGAERO CN(Cc1ccccc1)c1c(N)c[nH+]c2ccccc21 ZINC000130123316 346054601 /nfs/dbraw/zinc/05/46/01/346054601.db2.gz RRPVLAIYADQYEZ-UHFFFAOYSA-N 1 0 263.344 3.453 10 0 CGAERO CCCc1nc2ccccc2n1CC[C@@H]1CCC[NH2+]C1 ZINC000129178614 346047811 /nfs/dbraw/zinc/04/78/11/346047811.db2.gz CZEQYBFEHASZAS-AWEZNQCLSA-N 1 0 271.408 3.379 10 0 CGAERO [NH3+][C@H](c1ncccc1Br)C1CCCC1 ZINC000133186998 346076623 /nfs/dbraw/zinc/07/66/23/346076623.db2.gz CFEZMGXSXNVMMZ-JTQLQIEISA-N 1 0 255.159 3.034 10 0 CGAERO O=C1NC2(CC[NH+](CC3CCCCC3)CC2)c2ccccc21 ZINC000136202263 346090390 /nfs/dbraw/zinc/09/03/90/346090390.db2.gz DZGSDJYFTKDXQV-UHFFFAOYSA-N 1 0 298.430 3.301 10 0 CGAERO CCSCC[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000131040517 346062764 /nfs/dbraw/zinc/06/27/64/346062764.db2.gz QJXJCTXJXPUMHK-VHSXEESVSA-N 1 0 255.349 3.450 10 0 CGAERO CCCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2CO)cc1 ZINC000152329516 346141514 /nfs/dbraw/zinc/14/15/14/346141514.db2.gz BVYPXLRENLJBFE-NVXWUHKLSA-N 1 0 277.408 3.116 10 0 CGAERO O=C(O[C@@H]1CCC[NH2+]C1)c1ccc(-c2ccccc2)cc1 ZINC000147219470 346125555 /nfs/dbraw/zinc/12/55/55/346125555.db2.gz VIOKWMUJQSDLRV-QGZVFWFLSA-N 1 0 281.355 3.262 10 0 CGAERO F[C@]1(Cc2cc(Br)cs2)CCC[NH2+]C1 ZINC000158102520 346163470 /nfs/dbraw/zinc/16/34/70/346163470.db2.gz VMLFKFSJSCVZSP-JTQLQIEISA-N 1 0 278.190 3.145 10 0 CGAERO F[C@@]1(Cc2cc(Br)cs2)CCC[NH2+]C1 ZINC000158102365 346163828 /nfs/dbraw/zinc/16/38/28/346163828.db2.gz VMLFKFSJSCVZSP-SNVBAGLBSA-N 1 0 278.190 3.145 10 0 CGAERO [NH3+][C@H](Cc1cc(Br)cs1)[C@@H]1CCSC1 ZINC000162564106 346178578 /nfs/dbraw/zinc/17/85/78/346178578.db2.gz WLYBMDVQPWTYMG-GMSGAONNSA-N 1 0 292.267 3.134 10 0 CGAERO CC(C)CSCCC[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000155899377 346156291 /nfs/dbraw/zinc/15/62/91/346156291.db2.gz FOUNTOWJDFUSSS-MRXNPFEDSA-N 1 0 294.464 3.314 10 0 CGAERO CCNC(=[NH2+])c1cc(C)c(Br)c(C)c1 ZINC000162923900 346180284 /nfs/dbraw/zinc/18/02/84/346180284.db2.gz NHHMIIOVDSMDPW-UHFFFAOYSA-N 1 0 255.159 3.001 10 0 CGAERO CC[C@H]1SCc2ccc(Br)cc2[C@@H]1[NH3+] ZINC000162814870 346180311 /nfs/dbraw/zinc/18/03/11/346180311.db2.gz CZSJRQSECXPZFE-MNOVXSKESA-N 1 0 272.211 3.474 10 0 CGAERO Cc1ccc(-c2cc(C)cc3c2O[C@H](C[NH3+])C3)cc1 ZINC000167003261 346187487 /nfs/dbraw/zinc/18/74/87/346187487.db2.gz OSUOSEHRBPXXJE-HNNXBMFYSA-N 1 0 253.345 3.233 10 0 CGAERO Cc1ccc(CN2Cc3ccccc3NC2=[NH2+])c(C)c1 ZINC000167911268 346189855 /nfs/dbraw/zinc/18/98/55/346189855.db2.gz HVXNFGRQDZVZLE-UHFFFAOYSA-N 1 0 265.360 3.265 10 0 CGAERO Cc1cccc(CO[C@@H]2C[NH2+]CC[C@@H]2c2ccoc2)c1 ZINC000169105889 346192209 /nfs/dbraw/zinc/19/22/09/346192209.db2.gz HNCBMNIJIFASAN-IAGOWNOFSA-N 1 0 271.360 3.250 10 0 CGAERO CC1CCC(C[N@@H+]2CCCC[C@@H]2c2nnc[nH]2)CC1 ZINC000182631862 346256857 /nfs/dbraw/zinc/25/68/57/346256857.db2.gz DAKOINWUYBRAKL-JXQTWKCFSA-N 1 0 262.401 3.158 10 0 CGAERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2c(C)cccc2Cl)C1 ZINC000186293708 346259556 /nfs/dbraw/zinc/25/95/56/346259556.db2.gz ZPDAAYGYZODZOH-GFCCVEGCSA-N 1 0 295.814 3.254 10 0 CGAERO Fc1ccc([C@H]2CCCC[NH2+]2)c(Br)c1 ZINC000218292387 346292979 /nfs/dbraw/zinc/29/29/79/346292979.db2.gz YAROGJCHQWBMPS-LLVKDONJSA-N 1 0 258.134 3.403 10 0 CGAERO C[C@@H](CCc1ccccc1)[NH2+]CC(=O)c1cccc(O)c1 ZINC000220371450 346295705 /nfs/dbraw/zinc/29/57/05/346295705.db2.gz UVMFZCQETMCDRQ-AWEZNQCLSA-N 1 0 283.371 3.186 10 0 CGAERO CCCc1c(C(F)(F)F)nc2n1[C@H](C)CN[C@H]2C ZINC000221252547 346297618 /nfs/dbraw/zinc/29/76/18/346297618.db2.gz QFQTZKVKLPIWSE-SFYZADRCSA-N 1 0 261.291 3.080 10 0 CGAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)c1cscc1Br ZINC000226549020 346307542 /nfs/dbraw/zinc/30/75/42/346307542.db2.gz SIJTVIPYCXPPIB-YUMQZZPRSA-N 1 0 288.210 3.068 10 0 CGAERO CC[NH2+][C@@H](C)c1c(F)ccc(Br)c1F ZINC000233551818 346329854 /nfs/dbraw/zinc/32/98/54/346329854.db2.gz QZAURCZPUQVDCQ-LURJTMIESA-N 1 0 264.113 3.398 10 0 CGAERO c1ccc2c(C[NH2+]CC[C@@H]3CCCCO3)ccnc2c1 ZINC000227340403 346309360 /nfs/dbraw/zinc/30/93/60/346309360.db2.gz ZUTCSOXARBPRGK-HNNXBMFYSA-N 1 0 270.376 3.284 10 0 CGAERO C[NH2+][C@H](C)c1ccc(I)c(Cl)c1 ZINC000229296969 346316892 /nfs/dbraw/zinc/31/68/92/346316892.db2.gz FXCZIJNRRMVRAE-ZCFIWIBFSA-N 1 0 295.551 3.225 10 0 CGAERO CC1(C)[C@@H]([NH3+])C[C@@H]1c1cc(Br)cs1 ZINC000229870884 346319211 /nfs/dbraw/zinc/31/92/11/346319211.db2.gz BMIHAHPJAOFOHA-APPZFPTMSA-N 1 0 260.200 3.351 10 0 CGAERO C[C@H]([NH3+])/C=C/c1ccc(Br)c(Cl)c1 ZINC000235481709 346336077 /nfs/dbraw/zinc/33/60/77/346336077.db2.gz HZCCFLWAYKFYHK-AIYRYJHASA-N 1 0 260.562 3.463 10 0 CGAERO CC[NH2+]CCCc1c(C)n(C)c2c1cccc2OC ZINC000098160134 185694255 /nfs/dbraw/zinc/69/42/55/185694255.db2.gz ZBDQJBOZVXIPOJ-UHFFFAOYSA-N 1 0 260.381 3.037 10 0 CGAERO CC1(C)[C@@H]([NH3+])[C@@]1(C)c1ccc(Br)s1 ZINC000300954343 346439274 /nfs/dbraw/zinc/43/92/74/346439274.db2.gz HLPMANQAUNMDOO-PSASIEDQSA-N 1 0 260.200 3.135 10 0 CGAERO 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171369817 /nfs/dbraw/zinc/36/98/17/171369817.db2.gz BRBVSMKBZYJPOV-UHFFFAOYSA-N 1 0 257.333 3.123 10 0 CGAERO COc1ccc([C@H]([NH3+])[C@@H](C)Oc2ccccc2F)cc1 ZINC000022567204 171392295 /nfs/dbraw/zinc/39/22/95/171392295.db2.gz NCPNGHHPSWLNTJ-BDJLRTHQSA-N 1 0 275.323 3.302 10 0 CGAERO Cc1ccc([C@H](c2ccccc2)N2CC[NH2+]CC2)cc1C ZINC000022794002 171399542 /nfs/dbraw/zinc/39/95/42/171399542.db2.gz STWJPILSTPVEHB-IBGZPJMESA-N 1 0 280.415 3.298 10 0 CGAERO COc1cccc([C@H](CN)[NH+](CC(C)C)CC(C)C)c1 ZINC000032049673 171691303 /nfs/dbraw/zinc/69/13/03/171691303.db2.gz PFNKIXYHKOGYPQ-KRWDZBQOSA-N 1 0 278.440 3.309 10 0 CGAERO Cc1cccc([C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2[NH3+])c1 ZINC000032629328 171740838 /nfs/dbraw/zinc/74/08/38/171740838.db2.gz RUNXGQHSGMQABU-HUUCEWRRSA-N 1 0 290.407 3.047 10 0 CGAERO Cc1cc(C)c(C)c(OCc2ccc(C(N)=[NH2+])cc2)c1 ZINC000034940050 171899874 /nfs/dbraw/zinc/89/98/74/171899874.db2.gz RPMWMHCNXKHIBO-UHFFFAOYSA-N 1 0 268.360 3.475 10 0 CGAERO Cc1ccsc1[C@@H]([NH3+])c1ccc2c(c1)C[C@@H](C)O2 ZINC000035081826 171967247 /nfs/dbraw/zinc/96/72/47/171967247.db2.gz JPELARWPZPOQBC-YGRLFVJLSA-N 1 0 259.374 3.428 10 0 CGAERO C[C@H]1[NH2+]C[C@@H](c2ccccc2)O[C@@H]1c1ccccc1 ZINC000035285470 172103268 /nfs/dbraw/zinc/10/32/68/172103268.db2.gz IVDXEFNKIGIFDS-COXVUDFISA-N 1 0 253.345 3.477 10 0 CGAERO Cc1ccc([C@@H]([NH3+])c2ccc3c(c2)OCCCO3)s1 ZINC000035379889 172162708 /nfs/dbraw/zinc/16/27/08/172162708.db2.gz OFSFIQCSSFVTSX-HNNXBMFYSA-N 1 0 275.373 3.266 10 0 CGAERO COc1ccc([C@@H]([NH3+])c2ccc(C)o2)cc1Br ZINC000035381631 172164190 /nfs/dbraw/zinc/16/41/90/172164190.db2.gz NWRZEXOAFPJEMQ-CYBMUJFWSA-N 1 0 296.164 3.407 10 0 CGAERO COc1ccc([C@H]([NH3+])c2cc(C)ccc2C)cc1F ZINC000035424588 172193326 /nfs/dbraw/zinc/19/33/26/172193326.db2.gz OLUBKEAOCKXWJA-INIZCTEOSA-N 1 0 259.324 3.499 10 0 CGAERO C[NH2+][C@@H](Cc1ccccc1)c1ccc2c(c1)CCO2 ZINC000035467988 172216508 /nfs/dbraw/zinc/21/65/08/172216508.db2.gz RUUIOMRAQDUJDK-INIZCTEOSA-N 1 0 253.345 3.125 10 0 CGAERO C[NH2+][C@H](c1ccc(Br)o1)c1cccs1 ZINC000035487837 172223271 /nfs/dbraw/zinc/22/32/71/172223271.db2.gz QDPDLVZCBWSREF-SNVBAGLBSA-N 1 0 272.167 3.412 10 0 CGAERO C[NH2+][C@H](Cc1ncc[nH]1)c1ccc2ccccc2c1 ZINC000035504230 172237572 /nfs/dbraw/zinc/23/75/72/172237572.db2.gz BPAKCIPEBLNKHZ-OAHLLOKOSA-N 1 0 251.333 3.066 10 0 CGAERO C[NH2+][C@@H](c1ccsc1)c1ccc(OC)c(F)c1 ZINC000035507432 172239917 /nfs/dbraw/zinc/23/99/17/172239917.db2.gz CXLSBEBBQOYELI-CYBMUJFWSA-N 1 0 251.326 3.205 10 0 CGAERO CC[NH2+][C@@H](c1cc2c(cc1Cl)OCCO2)[C@H]1C[C@@H]1C ZINC000035557846 172263691 /nfs/dbraw/zinc/26/36/91/172263691.db2.gz VOFJMVCLPSJEIH-AMJWSMQMSA-N 1 0 281.783 3.418 10 0 CGAERO CC[NH2+][C@@H](Cc1ncc[nH]1)c1cc(Cl)ccc1F ZINC000035570194 172265338 /nfs/dbraw/zinc/26/53/38/172265338.db2.gz CDKCLBWMUYNKHS-LBPRGKRZSA-N 1 0 267.735 3.096 10 0 CGAERO CCC[NH2+][C@H](Cc1ncc[nH]1)c1ccc(Br)o1 ZINC000035586299 172285602 /nfs/dbraw/zinc/28/56/02/172285602.db2.gz HPHZCNKPGUSWOH-SECBINFHSA-N 1 0 298.184 3.049 10 0 CGAERO C[NH2+][C@@H](C)c1cccc(NC(=O)OCC(C)C)c1 ZINC000035645506 172323054 /nfs/dbraw/zinc/32/30/54/172323054.db2.gz IVNBCEDUTWGGJD-NSHDSACASA-N 1 0 250.342 3.172 10 0 CGAERO C[NH2+][C@H](C)c1c(F)cccc1N(C)Cc1ccco1 ZINC000035702204 172369854 /nfs/dbraw/zinc/36/98/54/172369854.db2.gz AAMQJYAOBBYLLR-LLVKDONJSA-N 1 0 262.328 3.336 10 0 CGAERO Cc1ccccc1[C@@H](C[NH3+])N(C)Cc1ccsc1 ZINC000035718843 172372671 /nfs/dbraw/zinc/37/26/71/172372671.db2.gz PETBNKTWSXDCFE-OAHLLOKOSA-N 1 0 260.406 3.188 10 0 CGAERO [NH3+]C[C@@H]1CCCC[C@H]1OCc1ccccc1Cl ZINC000035725670 172380169 /nfs/dbraw/zinc/38/01/69/172380169.db2.gz QCFGCSWEUFAZRQ-SMDDNHRTSA-N 1 0 253.773 3.374 10 0 CGAERO Cc1ccccc1C1CC([NH2+]Cc2ccncc2)C1 ZINC000036843859 172746539 /nfs/dbraw/zinc/74/65/39/172746539.db2.gz WDMXDEFHIFRFQP-UHFFFAOYSA-N 1 0 252.361 3.426 10 0 CGAERO CC[C@H](C)CN(C)[C@@H](C[NH3+])c1ccccc1Br ZINC000037172761 173006550 /nfs/dbraw/zinc/00/65/50/173006550.db2.gz NMORCHQYEPCQQG-FZMZJTMJSA-N 1 0 299.256 3.427 10 0 CGAERO C[C@@H](Nc1ccccc1Cl)C1CC[NH+](C)CC1 ZINC000037209971 173031739 /nfs/dbraw/zinc/03/17/39/173031739.db2.gz FAXRYWQSQAUSCL-LLVKDONJSA-N 1 0 252.789 3.482 10 0 CGAERO CCC[C@H](C)[C@@H]([NH3+])c1ccc2c(c1)CCCC(=O)N2 ZINC000037371333 173161365 /nfs/dbraw/zinc/16/13/65/173161365.db2.gz TUKLMBBZPZGZEN-MEDUHNTESA-N 1 0 260.381 3.397 10 0 CGAERO CCC[C@H](NC(=O)C[NH2+][C@H](C)CC)c1ccccc1 ZINC000037394591 173174958 /nfs/dbraw/zinc/17/49/58/173174958.db2.gz JKAUDQKOCDOQFZ-HIFRSBDPSA-N 1 0 262.397 3.032 10 0 CGAERO CCC[C@@H](NC(=O)C[NH2+][C@H](C)CC)c1ccccc1 ZINC000037394592 173175225 /nfs/dbraw/zinc/17/52/25/173175225.db2.gz JKAUDQKOCDOQFZ-UKRRQHHQSA-N 1 0 262.397 3.032 10 0 CGAERO COC(=O)CCC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000037415930 173192475 /nfs/dbraw/zinc/19/24/75/173192475.db2.gz VGUIFLHBKBERFD-VIFPVBQESA-N 1 0 273.735 3.083 10 0 CGAERO Cc1ccc2c(c1)nc([C@H]1CCC[NH2+]C1)n2C1CC1 ZINC000037438624 173209680 /nfs/dbraw/zinc/20/96/80/173209680.db2.gz VHIGTWQXWUZJMN-LBPRGKRZSA-N 1 0 255.365 3.147 10 0 CGAERO CC[C@H](C)[C@@H]([NH3+])c1nc2cc(Cl)ccc2n1C ZINC000037440282 173210276 /nfs/dbraw/zinc/21/02/76/173210276.db2.gz YRROOHRCFIEEFW-QPUJVOFHSA-N 1 0 251.761 3.273 10 0 CGAERO CC(C)n1c2ccc(Br)cc2nc1CCC[NH3+] ZINC000037441792 173211194 /nfs/dbraw/zinc/21/11/94/173211194.db2.gz RGESDXHUYXLSJB-UHFFFAOYSA-N 1 0 296.212 3.271 10 0 CGAERO Cc1csc2nc(C)c(C[NH2+]C3CCCCC3)n12 ZINC000037509860 173243692 /nfs/dbraw/zinc/24/36/92/173243692.db2.gz GQKRZAPYNVRAMD-UHFFFAOYSA-N 1 0 263.410 3.435 10 0 CGAERO C[C@]([NH3+])(C(=O)Nc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000037614248 173561127 /nfs/dbraw/zinc/56/11/27/173561127.db2.gz XKZFGIYNSBNZCA-GFCCVEGCSA-N 1 0 273.163 3.059 10 0 CGAERO CCC[C@@H]1CC[C@H](N)[C@H]([N@@H+]2CCC[C@H](CC)C2)C1 ZINC000037743243 173665456 /nfs/dbraw/zinc/66/54/56/173665456.db2.gz WHRXSXSCVQOZEM-XUWVNRHRSA-N 1 0 252.446 3.405 10 0 CGAERO [NH3+]Cc1ccc(CNc2ncc(Cl)cc2Cl)cc1 ZINC000037748180 173670399 /nfs/dbraw/zinc/67/03/99/173670399.db2.gz BUUVFTHRKAJAHX-UHFFFAOYSA-N 1 0 282.174 3.459 10 0 CGAERO CSc1nc2ccc(NC3CC[NH2+]CC3)cc2s1 ZINC000038040981 174041424 /nfs/dbraw/zinc/04/14/24/174041424.db2.gz UARIPEXXWRLPCR-UHFFFAOYSA-N 1 0 279.434 3.182 10 0 CGAERO CC[C@H](C)[NH2+][C@]1(C(=O)OC)C[C@H](C)CC[C@@H]1C(C)C ZINC000038066725 174078365 /nfs/dbraw/zinc/07/83/65/174078365.db2.gz KRGZKVPFRUFBRS-HLPPOEQASA-N 1 0 269.429 3.379 10 0 CGAERO C[NH2+]Cc1ccc(F)c(-c2cc(F)ccc2OC)c1 ZINC000038073423 174083253 /nfs/dbraw/zinc/08/32/53/174083253.db2.gz FTQJOQOAUBNIDA-UHFFFAOYSA-N 1 0 263.287 3.360 10 0 CGAERO Cc1cc(C)cc(COc2ccccc2C(N)=[NH2+])c1 ZINC000038076848 174087636 /nfs/dbraw/zinc/08/76/36/174087636.db2.gz VOYPETFTJNSLKR-UHFFFAOYSA-N 1 0 254.333 3.167 10 0 CGAERO C[C@H](C[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2)N(C)C ZINC000038088582 174101467 /nfs/dbraw/zinc/10/14/67/174101467.db2.gz PUYJKZTYABVMQZ-HAWGNNMYSA-N 1 0 264.457 3.131 10 0 CGAERO Cc1cc(C)c([C@@H](C)[NH2+]CC[C@@H]2CCCO2)c(C)n1 ZINC000038096399 174110288 /nfs/dbraw/zinc/11/02/88/174110288.db2.gz KXPQVTZCTJLNBG-HIFRSBDPSA-N 1 0 262.397 3.227 10 0 CGAERO CCC[C@@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000040177378 174202429 /nfs/dbraw/zinc/20/24/29/174202429.db2.gz HPGLGCXNLCKQEN-IAODNVIUSA-N 1 0 280.456 3.094 10 0 CGAERO CCCn1c(C[NH2+]C)nc2cc(C(F)(F)F)ccc21 ZINC000040417576 174255975 /nfs/dbraw/zinc/25/59/75/174255975.db2.gz FGWBTPWZVAEJKN-UHFFFAOYSA-N 1 0 271.286 3.185 10 0 CGAERO c1cc2c(c(OCCC[NH+]3CCCCC3)c1)NCCC2 ZINC000040567132 174337954 /nfs/dbraw/zinc/33/79/54/174337954.db2.gz AJEVXICBHSRVIZ-UHFFFAOYSA-N 1 0 274.408 3.300 10 0 CGAERO Cc1cccc(NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)n1 ZINC000040670065 174368626 /nfs/dbraw/zinc/36/86/26/174368626.db2.gz NRSOGEGZAYUQRR-CJNGLKHVSA-N 1 0 261.413 3.312 10 0 CGAERO CCC[NH2+]Cc1cnc(-c2cccc(OC)c2)s1 ZINC000040996687 174447118 /nfs/dbraw/zinc/44/71/18/174447118.db2.gz FEZGNDBOLDBRRV-UHFFFAOYSA-N 1 0 262.378 3.318 10 0 CGAERO COc1cccc(OC)c1OCC[NH2+]C1CCCCC1 ZINC000041434794 174552306 /nfs/dbraw/zinc/55/23/06/174552306.db2.gz ZTRMVHGBBFDVCW-UHFFFAOYSA-N 1 0 279.380 3.005 10 0 CGAERO C[NH2+][C@H]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000042398583 174709674 /nfs/dbraw/zinc/70/96/74/174709674.db2.gz SGTGMFMJMSZNEX-AAEUAGOBSA-N 1 0 268.198 3.380 10 0 CGAERO Cc1ccc([C@H](C[NH3+])OCCc2cccs2)cc1 ZINC000042907350 174908402 /nfs/dbraw/zinc/90/84/02/174908402.db2.gz DWUIUOSEVPFVHU-HNNXBMFYSA-N 1 0 261.390 3.316 10 0 CGAERO CC[C@H]([NH3+])[C@H](Sc1cnn(C)c1)c1cccc(F)c1 ZINC000042974873 174937840 /nfs/dbraw/zinc/93/78/40/174937840.db2.gz XUDOGCXLELOIGE-UONOGXRCSA-N 1 0 279.384 3.130 10 0 CGAERO CC[C@H]([NH3+])[C@H](c1cccc(Cl)c1)n1cc(C)cn1 ZINC000043016788 174943572 /nfs/dbraw/zinc/94/35/72/174943572.db2.gz WJKJSRLWJIKYQB-KBPBESRZSA-N 1 0 263.772 3.172 10 0 CGAERO C[C@@H]([NH3+])[C@@H](OCc1cccs1)c1ccccc1F ZINC000043048882 174957934 /nfs/dbraw/zinc/95/79/34/174957934.db2.gz QUOSCLYGZDDLNF-QMTHXVAHSA-N 1 0 265.353 3.492 10 0 CGAERO CC[C@@H]([NH3+])[C@@H](c1cccs1)N(C)Cc1ccco1 ZINC000043103715 174969016 /nfs/dbraw/zinc/96/90/16/174969016.db2.gz BERXDVUGOILZGI-OCCSQVGLSA-N 1 0 264.394 3.252 10 0 CGAERO C[C@H]([NH3+])[C@H](c1cccs1)N1CCc2ccccc21 ZINC000043102613 174969042 /nfs/dbraw/zinc/96/90/42/174969042.db2.gz QDWGXZHYJGLKMN-XHDPSFHLSA-N 1 0 258.390 3.199 10 0 CGAERO CC[C@H]([NH3+])[C@@H](c1cccs1)N(C)CC(F)(F)F ZINC000043104827 174970704 /nfs/dbraw/zinc/97/07/04/174970704.db2.gz WDEPPAZSQZXHLP-WPRPVWTQSA-N 1 0 266.332 3.021 10 0 CGAERO Oc1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1Cl ZINC000043477098 175054775 /nfs/dbraw/zinc/05/47/75/175054775.db2.gz XXLAXDKVYOKGHW-UHFFFAOYSA-N 1 0 291.734 3.064 10 0 CGAERO c1ccc2sc(S[C@H]3CCC[NH2+]C3)nc2c1 ZINC000043501628 175058592 /nfs/dbraw/zinc/05/85/92/175058592.db2.gz UUPVULUCICXBDA-VIFPVBQESA-N 1 0 250.392 3.140 10 0 CGAERO CCOc1ccc([C@@H](O)C[N@@H+]2CCCC[C@@H]2CC)cc1 ZINC000044128916 175144401 /nfs/dbraw/zinc/14/44/01/175144401.db2.gz DAUUDOBMQUJOAH-RDJZCZTQSA-N 1 0 277.408 3.383 10 0 CGAERO COc1ccc(Cl)c(-n2c(N)[nH+]c3ccccc32)c1 ZINC000044418759 175173220 /nfs/dbraw/zinc/17/32/20/175173220.db2.gz NKCGNTRUFCQUAK-UHFFFAOYSA-N 1 0 273.723 3.270 10 0 CGAERO C[C@@H](c1ccc(Cl)s1)N1CCC[C@H](C[NH3+])C1 ZINC000044527998 175192721 /nfs/dbraw/zinc/19/27/21/175192721.db2.gz YMYCGMXEXCTOGV-VHSXEESVSA-N 1 0 258.818 3.133 10 0 CGAERO CCOc1ccc2[nH]c(Nc3ccc(O)cc3)[nH+]c2c1 ZINC000045918824 175386252 /nfs/dbraw/zinc/38/62/52/175386252.db2.gz PYEMAQPQKBVFBW-UHFFFAOYSA-N 1 0 269.304 3.411 10 0 CGAERO Cc1ccc(C[NH2+]Cc2nc3ccccc3[nH]2)s1 ZINC000048435762 175433948 /nfs/dbraw/zinc/43/39/48/175433948.db2.gz FMGGKKCBPJYMHA-UHFFFAOYSA-N 1 0 257.362 3.223 10 0 CGAERO CC(C)[C@H]1[NH2+]CCc2c(F)ccc(Br)c21 ZINC000070821309 176007332 /nfs/dbraw/zinc/00/73/32/176007332.db2.gz NPONZGACTLKGOX-GFCCVEGCSA-N 1 0 272.161 3.431 10 0 CGAERO Cc1ccc(Nc2cc[nH+]cc2N)cc1Br ZINC000070993806 176019990 /nfs/dbraw/zinc/01/99/90/176019990.db2.gz LLLNCLLGRSRWIM-UHFFFAOYSA-N 1 0 278.153 3.478 10 0 CGAERO CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C)c1OC ZINC000071206526 176080283 /nfs/dbraw/zinc/08/02/83/176080283.db2.gz QKPHBWQEQSHGHX-GXTWGEPZSA-N 1 0 263.381 3.372 10 0 CGAERO CN(Cc1ccc(F)cc1C[NH3+])c1cccc(F)c1 ZINC000071263594 176096503 /nfs/dbraw/zinc/09/65/03/176096503.db2.gz NQEKCQGDTLTIBK-UHFFFAOYSA-N 1 0 262.303 3.060 10 0 CGAERO [NH3+]Cc1cc(F)ccc1Cn1ccc2ccccc21 ZINC000071263790 176096599 /nfs/dbraw/zinc/09/65/99/176096599.db2.gz PPDDZDGLSOEPMT-UHFFFAOYSA-N 1 0 254.308 3.287 10 0 CGAERO CCCN([C@H]1CC[NH2+]C1)[C@@H]1CCSc2ccccc21 ZINC000071314739 176120875 /nfs/dbraw/zinc/12/08/75/176120875.db2.gz YDKSRGZYUCNJEO-DZGCQCFKSA-N 1 0 276.449 3.297 10 0 CGAERO CC(C)Oc1ccc(C[C@H](C)[NH3+])cc1C(F)(F)F ZINC000071399665 176152403 /nfs/dbraw/zinc/15/24/03/176152403.db2.gz WULFMMXDWPNTGM-VIFPVBQESA-N 1 0 261.287 3.382 10 0 CGAERO C[C@@]1(c2cccc(Br)c2)CCC[NH2+]C1 ZINC000071575398 176202707 /nfs/dbraw/zinc/20/27/07/176202707.db2.gz PUEXTEJPWHHEPD-GFCCVEGCSA-N 1 0 254.171 3.090 10 0 CGAERO Brc1ccc([C@H]2CCC[NH2+]CC2)s1 ZINC000071586016 176212320 /nfs/dbraw/zinc/21/23/20/176212320.db2.gz BBIQXDXKXWFPRS-QMMMGPOBSA-N 1 0 260.200 3.368 10 0 CGAERO CC(C)(C)c1ccc([C@@](C)(O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000071587889 176215502 /nfs/dbraw/zinc/21/55/02/176215502.db2.gz MGRHEXBTJYDKFC-NVXWUHKLSA-N 1 0 261.409 3.191 10 0 CGAERO C[NH2+][C@H](C(=O)c1ccc(C(C)C)cc1OC)C(C)C ZINC000071595973 176219379 /nfs/dbraw/zinc/21/93/79/176219379.db2.gz ACMGCASDYXRZAD-HNNXBMFYSA-N 1 0 263.381 3.245 10 0 CGAERO COc1ccc([C@@H](O)[C@H](C)[NH2+]C(C)C)cc1C(C)C ZINC000071597972 176221663 /nfs/dbraw/zinc/22/16/63/176221663.db2.gz LYYIJNHJLFZVPX-LRDDRELGSA-N 1 0 265.397 3.239 10 0 CGAERO CC[NH2+][C@H](C)[C@H](O)c1ccc(OC(C)C)c(Cl)c1 ZINC000071611285 176231878 /nfs/dbraw/zinc/23/18/78/176231878.db2.gz MPUAQDGQBZJVCY-YGRLFVJLSA-N 1 0 271.788 3.159 10 0 CGAERO C[C@@H]1CCC[C@@]1(C[NH3+])c1cccc(Br)c1 ZINC000076397982 177015230 /nfs/dbraw/zinc/01/52/30/177015230.db2.gz FRIZRNOGTWJRAK-MFKMUULPSA-N 1 0 268.198 3.466 10 0 CGAERO CCC[C@H](CC[NH3+])C(=O)Nc1ccccc1Cl ZINC000076658761 177047555 /nfs/dbraw/zinc/04/75/55/177047555.db2.gz JNUFSUDHSYMSKV-SNVBAGLBSA-N 1 0 254.761 3.044 10 0 CGAERO [NH3+]CC[C@@H](COc1ccc(F)cc1)c1ccccc1 ZINC000076668600 177052374 /nfs/dbraw/zinc/05/23/74/177052374.db2.gz SDHONFGRQGWGPS-AWEZNQCLSA-N 1 0 259.324 3.337 10 0 CGAERO Cn1cccc1[C@H](CC[NH3+])CCc1ccc(F)cc1 ZINC000076670874 177053918 /nfs/dbraw/zinc/05/39/18/177053918.db2.gz WFGANRYQPJTUJK-AWEZNQCLSA-N 1 0 260.356 3.229 10 0 CGAERO CCOc1ccc([C@H](CC[NH3+])c2ccco2)cc1F ZINC000076677301 177056668 /nfs/dbraw/zinc/05/66/68/177056668.db2.gz SIPVFISZGUWPQN-LBPRGKRZSA-N 1 0 263.312 3.298 10 0 CGAERO CC1(C)CC[C@H]2CN(Cc3ccccc3)CC[C@@H]2[NH2+]1 ZINC000076697646 177060923 /nfs/dbraw/zinc/06/09/23/177060923.db2.gz UQAKWMWJCCTQDY-HOTGVXAUSA-N 1 0 258.409 3.039 10 0 CGAERO Brc1ccc(C[C@@H]2CCCC[NH2+]C2)cc1 ZINC000076700233 177062145 /nfs/dbraw/zinc/06/21/45/177062145.db2.gz MPOJJIQWFFDCBY-LBPRGKRZSA-N 1 0 268.198 3.381 10 0 CGAERO CCC[C@@H](C[NH3+])CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000076705988 177065566 /nfs/dbraw/zinc/06/55/66/177065566.db2.gz MWAHGBKZVIZOME-LLVKDONJSA-N 1 0 268.788 3.352 10 0 CGAERO [NH3+]C[C@H](CCC(=O)Nc1ccccc1)c1cccs1 ZINC000076720875 177069714 /nfs/dbraw/zinc/06/97/14/177069714.db2.gz QZTKSWLVLNYOEF-LBPRGKRZSA-N 1 0 274.389 3.209 10 0 CGAERO CC[C@H](C[NH3+])CC(=O)Nc1ccc(Cl)cc1Cl ZINC000076722301 177069989 /nfs/dbraw/zinc/06/99/89/177069989.db2.gz YFMJRSYGPKIFST-QMMMGPOBSA-N 1 0 275.179 3.307 10 0 CGAERO CCOc1cccc(-c2nc([C@@H](C)[NH2+]C)cs2)c1 ZINC000076784864 177092165 /nfs/dbraw/zinc/09/21/65/177092165.db2.gz CPGCIIXIZTZWGD-SNVBAGLBSA-N 1 0 262.378 3.489 10 0 CGAERO C[NH2+][C@@H](C)c1csc(Cc2ccc(OC)c(OC)c2)n1 ZINC000076784766 177092320 /nfs/dbraw/zinc/09/23/20/177092320.db2.gz RQQVVMOPPADTPZ-JTQLQIEISA-N 1 0 292.404 3.032 10 0 CGAERO Cc1ccc(Br)cc1[C@@H]1CC[C@H]([NH3+])C1 ZINC000077607682 177284564 /nfs/dbraw/zinc/28/45/64/177284564.db2.gz QMJYCJUSJICPGP-KOLCDFICSA-N 1 0 254.171 3.352 10 0 CGAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2cc(C)cc(C)c2)C1 ZINC000130410669 287354442 /nfs/dbraw/zinc/35/44/42/287354442.db2.gz VWHSFZOQFDYOLY-RDJZCZTQSA-N 1 0 260.425 3.438 10 0 CGAERO CC[C@H](C)C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]1 ZINC000725261913 544113974 /nfs/dbraw/zinc/11/39/74/544113974.db2.gz NEVZMKJXWWYOGN-RFQIPJPRSA-N 1 0 284.444 3.456 10 0 CGAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCC(C)(C)CC(C)(C)C1 ZINC000659357012 418979567 /nfs/dbraw/zinc/97/95/67/418979567.db2.gz CVSPLMNEFMCGBS-KGLIPLIRSA-N 1 0 280.456 3.049 10 0 CGAERO CC1(C)CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC(C)(C)C1 ZINC000659359339 418981098 /nfs/dbraw/zinc/98/10/98/418981098.db2.gz ZYDXGHCGGHTICP-ZIAGYGMSSA-N 1 0 280.456 3.179 10 0 CGAERO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C)c(F)c2)CO1 ZINC000657391355 419267759 /nfs/dbraw/zinc/26/77/59/419267759.db2.gz DGJNODMYODYNDR-IACUBPJLSA-N 1 0 251.345 3.352 10 0 CGAERO O[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@H](C3CCC3)C2)C1 ZINC000662042801 419328493 /nfs/dbraw/zinc/32/84/93/419328493.db2.gz HBAVOTLZLMXDRZ-VNQPRFMTSA-N 1 0 251.414 3.050 10 0 CGAERO C[C@@H]([NH2+][C@H]1CCCSCC1)c1cncc(F)c1 ZINC000657969273 419466475 /nfs/dbraw/zinc/46/64/75/419466475.db2.gz LQJYDEANRGYLTC-MFKMUULPSA-N 1 0 254.374 3.157 10 0 CGAERO COc1ccc([C@@H](C)[NH2+][C@@H]2CCO[C@@H](C)C2)cc1F ZINC000226583891 287635186 /nfs/dbraw/zinc/63/51/86/287635186.db2.gz MQDMLGIGCBKGTG-DMDPSCGWSA-N 1 0 267.344 3.052 10 0 CGAERO CCC[C@H](C(=O)Nc1cccc(-n2cccc2)c1)[NH+](C)C ZINC000179440282 260049194 /nfs/dbraw/zinc/04/91/94/260049194.db2.gz WXTQWURSHNXRRZ-MRXNPFEDSA-N 1 0 285.391 3.146 10 0 CGAERO CC(C)(C)CCC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000301951212 262391239 /nfs/dbraw/zinc/39/12/39/262391239.db2.gz JPEKVKXBECGSNO-GOEBONIOSA-N 1 0 253.430 3.440 10 0 CGAERO C[C@H]([NH2+]CC(=O)N[C@@H]1CCCC[C@H]1C)c1cccs1 ZINC000007581239 270026226 /nfs/dbraw/zinc/02/62/26/270026226.db2.gz PFDUWCWRGHOODI-FRRDWIJNSA-N 1 0 280.437 3.094 10 0 CGAERO C[C@H]([NH2+]CC(=O)N[C@H]1CCCC[C@@H]1C)c1cccs1 ZINC000007581236 270026240 /nfs/dbraw/zinc/02/62/40/270026240.db2.gz PFDUWCWRGHOODI-AVGNSLFASA-N 1 0 280.437 3.094 10 0 CGAERO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000035206920 270027750 /nfs/dbraw/zinc/02/77/50/270027750.db2.gz AXGISBOLWGPOQE-SRVKXCTJSA-N 1 0 268.426 3.092 10 0 CGAERO Cc1ccccc1CNC(=O)C[NH2+][C@H](C)c1ccccc1C ZINC000102683834 270044863 /nfs/dbraw/zinc/04/48/63/270044863.db2.gz PUTBKTGHFVMQIN-MRXNPFEDSA-N 1 0 296.414 3.270 10 0 CGAERO C[C@H]1C[C@@H](C(=O)NC2CC[NH+](C3CC3)CC2)CC(C)(C)C1 ZINC000182981543 270054853 /nfs/dbraw/zinc/05/48/53/270054853.db2.gz MFCDKNGSZLNGHZ-UONOGXRCSA-N 1 0 292.467 3.192 10 0 CGAERO CC/C=C/CC[N@@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000184685591 270059634 /nfs/dbraw/zinc/05/96/34/270059634.db2.gz VKYDBHHAGKAKEN-UOYPKJBKSA-N 1 0 281.346 3.429 10 0 CGAERO CCO[C@H]1C[C@@H]([NH2+]CC2(CC(C)C)CC2)C12CCOCC2 ZINC000186418648 270066026 /nfs/dbraw/zinc/06/60/26/270066026.db2.gz PUYVUKWZHBFESA-CVEARBPZSA-N 1 0 295.467 3.377 10 0 CGAERO Cc1cc(C)c(C[NH2+][C@@H]2CCCC[C@H]2CO)cc1C ZINC000219021041 270085925 /nfs/dbraw/zinc/08/59/25/270085925.db2.gz NRBGXWQCSCYUBC-DOTOQJQBSA-N 1 0 261.409 3.253 10 0 CGAERO CC[C@@H](c1ccc(Br)cc1)N1CC[NH2+][C@@H](C)C1 ZINC000227534207 270086977 /nfs/dbraw/zinc/08/69/77/270086977.db2.gz XLCKHXRYIMYHIQ-FZMZJTMJSA-N 1 0 297.240 3.194 10 0 CGAERO C[C@H]1CC(C[NH2+]Cc2ccncc2Cl)C[C@H](C)O1 ZINC000527703971 270132540 /nfs/dbraw/zinc/13/25/40/270132540.db2.gz SGAADPGNIIFNLL-QWRGUYRKSA-N 1 0 268.788 3.028 10 0 CGAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC(=O)N1CCCCC1 ZINC000222003554 268031606 /nfs/dbraw/zinc/03/16/06/268031606.db2.gz LRSZHAMMPPFULJ-OAGGEKHMSA-N 1 0 280.456 3.049 10 0 CGAERO CC1(C)C[C@H]([NH2+]CC2=CCCOC2)c2ccccc2O1 ZINC000127916370 273589130 /nfs/dbraw/zinc/58/91/30/273589130.db2.gz ASJNWLDORCFZJL-HNNXBMFYSA-N 1 0 273.376 3.225 10 0 CGAERO CC[NH+]1CCC(Nc2cccc(Cl)c2N(C)C)CC1 ZINC000037127100 273650443 /nfs/dbraw/zinc/65/04/43/273650443.db2.gz ZYBGEMOXGAZKTO-UHFFFAOYSA-N 1 0 281.831 3.302 10 0 CGAERO OC[C@H]1CCCC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000374054546 275049924 /nfs/dbraw/zinc/04/99/24/275049924.db2.gz POECADBHYUUOOM-LBPRGKRZSA-N 1 0 287.325 3.300 10 0 CGAERO CCCCC[C@@H](C)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000089733183 275971447 /nfs/dbraw/zinc/97/14/47/275971447.db2.gz LOLGVBJVSVGNOU-HUUCEWRRSA-N 1 0 276.428 3.004 10 0 CGAERO CC(C)[C@@H](Cc1ccccc1)[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000187371179 275983848 /nfs/dbraw/zinc/98/38/48/275983848.db2.gz WFBMJUCTHOXLPT-FUHWJXTLSA-N 1 0 283.419 3.124 10 0 CGAERO CC1(C)C[C@@H]([NH2+][C@@H]2CCCOC2)c2ccccc2O1 ZINC000128967851 276143432 /nfs/dbraw/zinc/14/34/32/276143432.db2.gz RNLYWRPWROTMQC-TZMCWYRMSA-N 1 0 261.365 3.057 10 0 CGAERO CCN1CCC[C@H]([NH2+][C@@H]2C[C@H](C)c3ccccc32)C1 ZINC000311614003 276376026 /nfs/dbraw/zinc/37/60/26/276376026.db2.gz WCLVXIUBQYYXSV-GRDNDAEWSA-N 1 0 258.409 3.309 10 0 CGAERO Cc1cc(Cl)cc(C[NH2+][C@@H](C)[C@H]2CCCO2)c1 ZINC000339183143 287957010 /nfs/dbraw/zinc/95/70/10/287957010.db2.gz YGIDRTGGVBCQMD-SMDDNHRTSA-N 1 0 253.773 3.306 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1cc2ccccc2s1 ZINC000392905199 287996922 /nfs/dbraw/zinc/99/69/22/287996922.db2.gz RAKVBTDCUQEPIG-NTZNESFSSA-N 1 0 288.416 3.219 10 0 CGAERO COc1ccccc1C[C@H]([NH2+]C[C@H](C)C[C@@H](C)O)C(C)C ZINC000157740055 278051374 /nfs/dbraw/zinc/05/13/74/278051374.db2.gz HHAVVOWQCGYXNN-INMHGKMJSA-N 1 0 293.451 3.259 10 0 CGAERO C[C@H](N[C@@H]1CCC[NH2+][C@@H]1C)c1ccccc1Br ZINC000396599916 288014338 /nfs/dbraw/zinc/01/43/38/288014338.db2.gz ASSLXIMAZRVAOC-MISXGVKJSA-N 1 0 297.240 3.240 10 0 CGAERO CC[C@H]([NH2+][C@@H]1CCN2CCCC[C@H]12)[C@@H]1CC1(C)C ZINC000397587498 288024714 /nfs/dbraw/zinc/02/47/14/288024714.db2.gz IWDNODGUGLXSQI-BYNSBNAKSA-N 1 0 250.430 3.028 10 0 CGAERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1cnc2ccsc2c1 ZINC000134238749 278275506 /nfs/dbraw/zinc/27/55/06/278275506.db2.gz GBUOSERLHMKYQN-HOSYDEDBSA-N 1 0 262.378 3.124 10 0 CGAERO C[n+]1ccc(-c2nc3c(ccc4ccccc34)o2)cc1 ZINC000226300387 278574846 /nfs/dbraw/zinc/57/48/46/278574846.db2.gz DVKQMIQLPAVISS-UHFFFAOYSA-N 1 0 261.304 3.473 10 0 CGAERO CC(C)CCN(C(=O)[C@H]1CCC[NH2+][C@H]1C)C1CCCC1 ZINC000094848667 278760009 /nfs/dbraw/zinc/76/00/09/278760009.db2.gz VDFPHWOLYGRQJH-HOCLYGCPSA-N 1 0 280.456 3.192 10 0 CGAERO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCc3occc32)C[C@H](C)O1 ZINC000281463541 278894124 /nfs/dbraw/zinc/89/41/24/278894124.db2.gz DYCNTGWVZQHMSK-QVHKTLOISA-N 1 0 263.381 3.450 10 0 CGAERO CC[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1cccs1 ZINC000300412388 288088184 /nfs/dbraw/zinc/08/81/84/288088184.db2.gz SQGXGTFPMKLJJX-AVGNSLFASA-N 1 0 253.411 3.340 10 0 CGAERO C[C@H]1[N@H+](C[C@@H]2CCCC2(F)F)CCC12CCOCC2 ZINC000334798757 280038615 /nfs/dbraw/zinc/03/86/15/280038615.db2.gz HDHLSDLGLDHSMF-OLZOCXBDSA-N 1 0 273.367 3.313 10 0 CGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(C)cc1 ZINC000092696038 281194779 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COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CCCCC[C@H]2O)c1 ZINC000252855791 295182641 /nfs/dbraw/zinc/18/26/41/295182641.db2.gz HQXXWGBHNBPYPL-APHBMKBZSA-N 1 0 293.407 3.048 10 0 CGAERO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000226776922 295297264 /nfs/dbraw/zinc/29/72/64/295297264.db2.gz JUZBBTCGULJOEG-JJXSEGSLSA-N 1 0 278.440 3.075 10 0 CGAERO C[C@@]([NH2+]C1CCCC1)(C(N)=O)c1cccc2ccccc21 ZINC000037969553 297840778 /nfs/dbraw/zinc/84/07/78/297840778.db2.gz BDWWZMRUAUZSMD-SFHVURJKSA-N 1 0 282.387 3.073 10 0 CGAERO [NH3+][C@H](c1ccc2c(c1)OCCCO2)C1CCCCC1 ZINC000015014399 303481574 /nfs/dbraw/zinc/48/15/74/303481574.db2.gz BIHFZTSALGJXJX-INIZCTEOSA-N 1 0 261.365 3.428 10 0 CGAERO CCO[C@@H]1C[C@H]([NH2+]CCCC(C)(C)C)C12CCOCC2 ZINC000186412439 327690567 /nfs/dbraw/zinc/69/05/67/327690567.db2.gz YBWQJNCIXXZZCP-LSDHHAIUSA-N 1 0 283.456 3.377 10 0 CGAERO C[C@@H](Nc1cc(F)cc(Cl)c1)[C@H]1CCC[NH2+]C1 ZINC000566090709 322104088 /nfs/dbraw/zinc/10/40/88/322104088.db2.gz 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522547835 /nfs/dbraw/zinc/54/78/35/522547835.db2.gz DFDFHSFBLVAXES-INIZCTEOSA-N 1 0 260.425 3.458 10 0 CGAERO CNc1cc(C)[nH+]c2c(I)cccc12 ZINC000050868424 522565235 /nfs/dbraw/zinc/56/52/35/522565235.db2.gz AAUMRQWPOUAPAY-UHFFFAOYSA-N 1 0 298.127 3.190 10 0 CGAERO CC[C@@H](NC(=O)CC[NH2+]C(C)(C)C)c1cccs1 ZINC000049532147 522675906 /nfs/dbraw/zinc/67/59/06/522675906.db2.gz VJMIPSPGTFUUFB-LLVKDONJSA-N 1 0 268.426 3.094 10 0 CGAERO CC[C@H]([NH2+][C@@H](C)C(=O)N(CC)CC)C1CCCCC1 ZINC000052339709 522684909 /nfs/dbraw/zinc/68/49/09/522684909.db2.gz AZKXYQJKUYCWRL-ZFWWWQNUSA-N 1 0 268.445 3.192 10 0 CGAERO CN(Cc1c(F)cccc1Cl)c1cc[nH+]cc1N ZINC000049345505 523157433 /nfs/dbraw/zinc/15/74/33/523157433.db2.gz OLNNHEJXGYIJND-UHFFFAOYSA-N 1 0 265.719 3.093 10 0 CGAERO CC[C@@H]1CCCCN1c1ccc(Cl)cc1C(N)=[NH2+] ZINC000052860022 523180581 /nfs/dbraw/zinc/18/05/81/523180581.db2.gz HHSBCOZVBVVQKJ-LLVKDONJSA-N 1 0 265.788 3.393 10 0 CGAERO CC[C@]1(c2ccc(Cl)cc2)C[C@@H]1C[NH2+]CCOC ZINC000054599289 523628024 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CC[NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000621344258 349502468 /nfs/dbraw/zinc/50/24/68/349502468.db2.gz APBJTDKPFMXQMW-KBPBESRZSA-N 1 0 276.424 3.060 10 0 CGAERO CCC[NH2+]Cc1sc(COC)nc1C(C)(C)C ZINC000082440612 178019010 /nfs/dbraw/zinc/01/90/10/178019010.db2.gz YZIHCNSQJGPSLU-UHFFFAOYSA-N 1 0 256.415 3.087 10 0 CGAERO CCC[NH2+]Cc1sc(-c2ccccc2)nc1COC ZINC000082441415 178021162 /nfs/dbraw/zinc/02/11/62/178021162.db2.gz YOROTRCKCPFOPG-UHFFFAOYSA-N 1 0 276.405 3.456 10 0 CGAERO C[NH2+]C1CN([C@@H]2c3ccccc3CSc3ccccc32)C1 ZINC000095856752 185029790 /nfs/dbraw/zinc/02/97/90/185029790.db2.gz PLPQQXYMEUVZKD-GOSISDBHSA-N 1 0 296.439 3.285 10 0 CGAERO CN1CCNC([C@@H](c2ccccc2)c2ccc(Cl)cc2)=[NH+]1 ZINC000095864210 185030337 /nfs/dbraw/zinc/03/03/37/185030337.db2.gz MNWSPCCGBNBSCU-INIZCTEOSA-N 1 0 299.805 3.320 10 0 CGAERO C[NH2+][C@H](CCc1ccc(OC)cc1)CC(F)(F)F ZINC000082718691 178233570 /nfs/dbraw/zinc/23/35/70/178233570.db2.gz BNGJBBFOERSCLV-LLVKDONJSA-N 1 0 261.287 3.168 10 0 CGAERO 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3.063 10 0 CGAERO [NH3+]CCCN(Cc1ccco1)c1cccc(Cl)c1 ZINC000020237358 171096589 /nfs/dbraw/zinc/09/65/89/171096589.db2.gz UOJARCUSQQFZRA-UHFFFAOYSA-N 1 0 264.756 3.288 10 0 CGAERO NC(=S)c1ccc(F)c(C[NH+]2CCCCCCC2)c1 ZINC000020265920 171122730 /nfs/dbraw/zinc/12/27/30/171122730.db2.gz PQRFQCZXQVERJP-UHFFFAOYSA-N 1 0 280.412 3.226 10 0 CGAERO [NH3+][C@@H](COc1ccc2c(c1)CCC2)c1ccccc1 ZINC000020296751 171136698 /nfs/dbraw/zinc/13/66/98/171136698.db2.gz OVVKNTAROVIWSV-KRWDZBQOSA-N 1 0 253.345 3.254 10 0 CGAERO [NH3+][C@@H](c1ccc(Cl)s1)[C@H]1COc2ccccc2O1 ZINC000020375022 171170652 /nfs/dbraw/zinc/17/06/52/171170652.db2.gz DHOVREXTOVRDEM-ZWNOBZJWSA-N 1 0 281.764 3.241 10 0 CGAERO CC[NH+](CC)CCCNc1ccc(Cl)cc1N ZINC000020383575 171174293 /nfs/dbraw/zinc/17/42/93/171174293.db2.gz BZBZCNODIHIOIM-UHFFFAOYSA-N 1 0 255.793 3.066 10 0 CGAERO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH3+])cc1 ZINC000020390685 171179423 /nfs/dbraw/zinc/17/94/23/171179423.db2.gz YPDQQSMIKMPCHY-UHFFFAOYSA-N 1 0 279.343 3.007 10 0 CGAERO Cc1ccccc1[C@@H]([NH3+])Cc1nc2ccccc2o1 ZINC000020427739 171193545 /nfs/dbraw/zinc/19/35/45/171193545.db2.gz HEJHNFKDSBMBFR-ZDUSSCGKSA-N 1 0 252.317 3.379 10 0 CGAERO [NH3+][C@@H](Cc1ccccn1)c1ccc(F)cc1Cl ZINC000020429108 171193991 /nfs/dbraw/zinc/19/39/91/171193991.db2.gz SMEKCNFHQFEENM-ZDUSSCGKSA-N 1 0 250.704 3.117 10 0 CGAERO COc1ccc([C@@H]([NH3+])c2cc(C)sc2C)c(OC)c1 ZINC000020431468 171196200 /nfs/dbraw/zinc/19/62/00/171196200.db2.gz QURMEPSYPUPKKE-OAHLLOKOSA-N 1 0 277.389 3.430 10 0 CGAERO CCC[N@@H+]1CCc2nc(-c3cccc(O)c3)sc2C1 ZINC000020433018 171198051 /nfs/dbraw/zinc/19/80/51/171198051.db2.gz RUCHWBIKKXVCMO-UHFFFAOYSA-N 1 0 274.389 3.284 10 0 CGAERO CC[C@@H]([NH3+])c1ccccc1OCC(F)(F)C(F)F ZINC000020518377 171233293 /nfs/dbraw/zinc/23/32/93/171233293.db2.gz REXXPQPKJWEMMF-SECBINFHSA-N 1 0 265.250 3.376 10 0 CGAERO CC(C)[NH2+]CCCOc1cccc(C(F)(F)F)c1 ZINC000020525438 171238179 /nfs/dbraw/zinc/23/81/79/171238179.db2.gz OFCUPGWSALFFCG-UHFFFAOYSA-N 1 0 261.287 3.472 10 0 CGAERO CC[NH+](CC)CCC[C@H](C)N1C(=S)N=NC1C1CC1 ZINC000020589479 171260197 /nfs/dbraw/zinc/26/01/97/171260197.db2.gz JGIKVPVYNJGOOH-NSHDSACASA-N 1 0 282.457 3.127 10 0 CGAERO CCc1cccc(C)c1NC(=O)C[C@H]1CCCC[NH2+]1 ZINC000020597228 171265913 /nfs/dbraw/zinc/26/59/13/171265913.db2.gz LSSOWCXQVPIQDF-CQSZACIVSA-N 1 0 260.381 3.028 10 0 CGAERO Clc1nc2ccccc2cc1C[NH2+]C[C@@H]1CCCO1 ZINC000020935435 171281669 /nfs/dbraw/zinc/28/16/69/171281669.db2.gz ZTSNBZODKNUAQP-ZDUSSCGKSA-N 1 0 276.767 3.157 10 0 CGAERO CCCOc1ccccc1C[NH2+]C[C@@H]1CCCN1CC ZINC000020967320 171282145 /nfs/dbraw/zinc/28/21/45/171282145.db2.gz WQUKLKGMFWOGGW-INIZCTEOSA-N 1 0 276.424 3.049 10 0 CGAERO C[C@@H]1CCC[N@H+](C[C@@H](N)C23CC4CC(CC(C4)C2)C3)C1 ZINC000021501629 171305860 /nfs/dbraw/zinc/30/58/60/171305860.db2.gz RECBTJSNEOPBPS-IXRCJPEJSA-N 1 0 276.468 3.262 10 0 CGAERO C[C@H]1CCC[N@@H+]([C@@]2(CN)C[C@@H](C)CC(C)(C)C2)C1 ZINC000021513411 171311354 /nfs/dbraw/zinc/31/13/54/171311354.db2.gz CGLNXMNYJDKPTC-DZKIICNBSA-N 1 0 252.446 3.262 10 0 CGAERO NC[C@]1([NH+]2CCCCCCC2)CCCc2ccccc21 ZINC000021517798 171314172 /nfs/dbraw/zinc/31/41/72/171314172.db2.gz ACNBTRCXHSTOGW-GOSISDBHSA-N 1 0 272.436 3.443 10 0 CGAERO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000021720542 171320513 /nfs/dbraw/zinc/32/05/13/171320513.db2.gz HLAWRMVMMYCSAY-CQSZACIVSA-N 1 0 257.337 3.024 10 0 CGAERO C[C@H]1C[C@H](C)C[NH+]([C@@H]2CCCc3ccccc3[C@@H]2N)C1 ZINC000021814005 171331402 /nfs/dbraw/zinc/33/14/02/171331402.db2.gz VOEIWIRKFWQLQP-ZZCKCESHSA-N 1 0 272.436 3.369 10 0 CGAERO C[N@H+](CC(=O)Nc1ccc(Cl)cc1N)C1CCCCC1 ZINC000022167589 171366485 /nfs/dbraw/zinc/36/64/85/171366485.db2.gz LRVFRWAIWFJONY-UHFFFAOYSA-N 1 0 295.814 3.125 10 0 CGAERO Cc1cccc([C@@H](C[NH3+])N2CCc3sccc3C2)c1 ZINC000022168785 171367169 /nfs/dbraw/zinc/36/71/69/171367169.db2.gz PFXOQNUNQIFVJO-OAHLLOKOSA-N 1 0 272.417 3.115 10 0 CGAERO COc1ccc(NC(=O)Nc2cccc([C@H](C)[NH3+])c2)cc1 ZINC000022169017 171367256 /nfs/dbraw/zinc/36/72/56/171367256.db2.gz ZUHSPGFLQIGVFO-NSHDSACASA-N 1 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NCPNGHHPSWLNTJ-ZBEGNZNMSA-N 1 0 275.323 3.302 10 0 CGAERO COc1ccc2[nH]cc(CCC3CC[NH2+]CC3)c2c1 ZINC000028757516 171572975 /nfs/dbraw/zinc/57/29/75/171572975.db2.gz IIKBAURXMKGMGY-UHFFFAOYSA-N 1 0 258.365 3.109 10 0 CGAERO COc1ccccc1O[C@H](C[NH3+])c1ccc(C)cc1 ZINC000032110270 171702705 /nfs/dbraw/zinc/70/27/05/171702705.db2.gz JRUFMJZSQUJJAU-MRXNPFEDSA-N 1 0 257.333 3.082 10 0 CGAERO COc1ccc(-c2nc(C[C@H](C)[NH3+])sc2C)cc1 ZINC000032112588 171705646 /nfs/dbraw/zinc/70/56/46/171705646.db2.gz QKXFTWMGWOGQJJ-VIFPVBQESA-N 1 0 262.378 3.017 10 0 CGAERO COc1cccc(C[NH2+]CC(C)C)c1OCC(C)C ZINC000032114199 171707885 /nfs/dbraw/zinc/70/78/85/171707885.db2.gz HEUFDJHGJUYVRE-UHFFFAOYSA-N 1 0 265.397 3.476 10 0 CGAERO CC[NH2+]CCCOc1cc(C)c(Br)c(C)c1 ZINC000033442767 171802816 /nfs/dbraw/zinc/80/28/16/171802816.db2.gz RFUMYRRIDFQDLF-UHFFFAOYSA-N 1 0 286.213 3.444 10 0 CGAERO CC[NH2+]Cc1ccccc1N(C)Cc1ccccc1 ZINC000034823571 171877110 /nfs/dbraw/zinc/87/71/10/171877110.db2.gz VGNBGNOQMRRMFY-UHFFFAOYSA-N 1 0 254.377 3.433 10 0 CGAERO Cc1ccc(Cl)cc1NC(=O)C[NH2+]C1CCCC1 ZINC000035159858 172018081 /nfs/dbraw/zinc/01/80/81/172018081.db2.gz XFGVXFBIECLNLP-UHFFFAOYSA-N 1 0 266.772 3.119 10 0 CGAERO C[C@H]([NH2+][C@H]1CCCc2ccccc21)C(=O)NC1CCCC1 ZINC000035179118 172032197 /nfs/dbraw/zinc/03/21/97/172032197.db2.gz MMUSSNZWABYNLV-GUYCJALGSA-N 1 0 286.419 3.101 10 0 CGAERO CCN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000035223065 172066897 /nfs/dbraw/zinc/06/68/97/172066897.db2.gz TYYQPLRWNYFISO-GJZGRUSLSA-N 1 0 276.424 3.211 10 0 CGAERO Cc1ccccc1[C@@H]1C[NH2+]C[C@H](c2ccccc2)O1 ZINC000035285379 172103246 /nfs/dbraw/zinc/10/32/46/172103246.db2.gz SJPYRTOGODBZMQ-SJORKVTESA-N 1 0 253.345 3.397 10 0 CGAERO CC(C)[N@H+](Cc1cccnc1)Cc1cccc(N)c1 ZINC000035365556 172155830 /nfs/dbraw/zinc/15/58/30/172155830.db2.gz CCFDZJJKKISJLK-UHFFFAOYSA-N 1 0 255.365 3.074 10 0 CGAERO C[NH2+]Cc1c(Oc2cccc(F)c2)nc2sccn21 ZINC000035430710 172199108 /nfs/dbraw/zinc/19/91/08/172199108.db2.gz YUYXAZWPOJAEHD-UHFFFAOYSA-N 1 0 277.324 3.047 10 0 CGAERO C[NH2+][C@@H](c1ccoc1)c1cc(Br)ccc1OC ZINC000035455952 172207041 /nfs/dbraw/zinc/20/70/41/172207041.db2.gz OGINXRJBTPHYET-ZDUSSCGKSA-N 1 0 296.164 3.360 10 0 CGAERO C[NH2+][C@@H](c1ccc(F)cc1)c1ccc(C)c(OC)c1 ZINC000035463701 172211854 /nfs/dbraw/zinc/21/18/54/172211854.db2.gz UCZNIFGZJFMJHC-INIZCTEOSA-N 1 0 259.324 3.452 10 0 CGAERO C[NH2+][C@H](c1ccc(Br)o1)c1ccc(OC)cc1 ZINC000035465533 172212862 /nfs/dbraw/zinc/21/28/62/172212862.db2.gz NYZXXQNRMDIXIE-ZDUSSCGKSA-N 1 0 296.164 3.360 10 0 CGAERO C[NH2+][C@@H](c1ccc(Br)o1)c1ccc(OC)cc1 ZINC000035465536 172212968 /nfs/dbraw/zinc/21/29/68/172212968.db2.gz NYZXXQNRMDIXIE-CYBMUJFWSA-N 1 0 296.164 3.360 10 0 CGAERO C[NH2+][C@H](c1cc(C)oc1C)c1ccc(F)c(F)c1 ZINC000035494164 172227672 /nfs/dbraw/zinc/22/76/72/172227672.db2.gz SYXXIINAMPCQLS-AWEZNQCLSA-N 1 0 251.276 3.483 10 0 CGAERO CC[NH2+][C@H](c1ccc(OC)c(OC)c1)C(C)(C)C ZINC000035539484 172245381 /nfs/dbraw/zinc/24/53/81/172245381.db2.gz XAGZNPHUQHKKTI-CQSZACIVSA-N 1 0 251.370 3.401 10 0 CGAERO CC[NH2+][C@H](c1cc(OC)ccc1OC)[C@@H](C)CC ZINC000035541452 172248584 /nfs/dbraw/zinc/24/85/84/172248584.db2.gz LJFGGTWJAVGIMG-NHYWBVRUSA-N 1 0 251.370 3.401 10 0 CGAERO CC[NH2+][C@@H](c1cnn(C)c1)c1ccc(Cl)c(Cl)c1 ZINC000035555933 172261975 /nfs/dbraw/zinc/26/19/75/172261975.db2.gz FJGHTYIXGJQOCT-CYBMUJFWSA-N 1 0 284.190 3.426 10 0 CGAERO CCC[NH2+][C@H](c1ccc(OC)cc1OC)C(C)C ZINC000035581452 172277703 /nfs/dbraw/zinc/27/77/03/172277703.db2.gz HYGGNBUTXYGVGA-HNNXBMFYSA-N 1 0 251.370 3.401 10 0 CGAERO CCC[NH2+][C@H](C)c1cc(OC)c(OC)cc1Cl ZINC000035584700 172283997 /nfs/dbraw/zinc/28/39/97/172283997.db2.gz JQIIBKCMHSJLEW-SECBINFHSA-N 1 0 257.761 3.418 10 0 CGAERO CCC(C)(C)NC(=O)[C@@H](C)Oc1ccc(C)cc1[C@@H](C)[NH3+] ZINC000035629278 172308768 /nfs/dbraw/zinc/30/87/68/172308768.db2.gz VXDHXNOTLIFZNZ-CHWSQXEVSA-N 1 0 292.423 3.087 10 0 CGAERO COc1cc2c(c(C(C)(C)C)c1)OC[C@@H]2[NH2+]C1CC1 ZINC000035652766 172329678 /nfs/dbraw/zinc/32/96/78/172329678.db2.gz RDDHJMCJAOYIKF-AWEZNQCLSA-N 1 0 261.365 3.178 10 0 CGAERO CCC[NH2+][C@@H]1CCOc2c(F)cc(Br)cc21 ZINC000035653872 172330784 /nfs/dbraw/zinc/33/07/84/172330784.db2.gz YXFKIUYKBGVTBB-LLVKDONJSA-N 1 0 288.160 3.411 10 0 CGAERO CC1CCC(C[NH3+])(N(C)Cc2cccs2)CC1 ZINC000035717219 172371164 /nfs/dbraw/zinc/37/11/64/172371164.db2.gz HFUYDBGWEXGOMP-UHFFFAOYSA-N 1 0 252.427 3.088 10 0 CGAERO CC[NH2+]Cc1ccccc1N(C)Cc1cccs1 ZINC000035718034 172372538 /nfs/dbraw/zinc/37/25/38/172372538.db2.gz UDIRWSIOPGMYFS-UHFFFAOYSA-N 1 0 260.406 3.494 10 0 CGAERO Cc1ccc([C@@H](C[NH3+])N(C)Cc2ccsc2)s1 ZINC000035718962 172373276 /nfs/dbraw/zinc/37/32/76/172373276.db2.gz NZQUYNNYEMAIRT-GFCCVEGCSA-N 1 0 266.435 3.250 10 0 CGAERO CC(C)CC[C@@](C)(C[NH3+])N(C)Cc1ccsc1 ZINC000035719048 172373571 /nfs/dbraw/zinc/37/35/71/172373571.db2.gz HNPYIHACXIRAJB-AWEZNQCLSA-N 1 0 254.443 3.334 10 0 CGAERO CCCc1ccc(-c2csc(N3CC[NH2+]CC3)n2)cc1 ZINC000036177295 172496419 /nfs/dbraw/zinc/49/64/19/172496419.db2.gz RHQIIGHBHWFSSM-UHFFFAOYSA-N 1 0 287.432 3.172 10 0 CGAERO C[C@H]1CC(C)(C)C[C@@]([NH3+])(c2noc(C(C)(C)C)n2)C1 ZINC000036764764 172683277 /nfs/dbraw/zinc/68/32/77/172683277.db2.gz ZIIGMJJCWMUQPQ-ZUZCIYMTSA-N 1 0 265.401 3.367 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000126683588 287270793 /nfs/dbraw/zinc/27/07/93/287270793.db2.gz FBBGPXIBKVDTRZ-IAGOWNOFSA-N 1 0 294.870 3.373 10 0 CGAERO Cc1cccc(C2CC([NH2+]Cc3ccncc3)C2)c1 ZINC000036843856 172746544 /nfs/dbraw/zinc/74/65/44/172746544.db2.gz KRBFNZJNMZJADM-UHFFFAOYSA-N 1 0 252.361 3.426 10 0 CGAERO [NH3+][C@H](CCC1CCCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000036892128 172785346 /nfs/dbraw/zinc/78/53/46/172785346.db2.gz NZVVANZRQXKRIE-GFCCVEGCSA-N 1 0 260.337 3.091 10 0 CGAERO [NH3+]C[C@@H](Oc1cccc2ccccc21)C(F)(F)F ZINC000037169994 173004602 /nfs/dbraw/zinc/00/46/02/173004602.db2.gz DHQUJPQLSHUMNL-GFCCVEGCSA-N 1 0 255.239 3.108 10 0 CGAERO Cc1cc(C)n(-c2ccc(F)cc2C[NH2+]C(C)C)n1 ZINC000037236854 173054330 /nfs/dbraw/zinc/05/43/30/173054330.db2.gz NEMGYSSTSUYNGO-UHFFFAOYSA-N 1 0 261.344 3.126 10 0 CGAERO COC(=O)CC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000037308571 173110889 /nfs/dbraw/zinc/11/08/89/173110889.db2.gz NSXVJQRZJFHARP-LBPRGKRZSA-N 1 0 263.381 3.198 10 0 CGAERO c1ccc(C[N@@H+]2CCC[C@@H](Nc3cccnc3)C2)cc1 ZINC000037325807 173126923 /nfs/dbraw/zinc/12/69/23/173126923.db2.gz RDCHZSOXGHECMY-QGZVFWFLSA-N 1 0 267.376 3.158 10 0 CGAERO Cc1c(C)c(C)c([C@@H](O)C2CC[NH2+]CC2)c(C)c1C ZINC000037327926 173127855 /nfs/dbraw/zinc/12/78/55/173127855.db2.gz QBKNWZUVPRIFFS-KRWDZBQOSA-N 1 0 261.409 3.262 10 0 CGAERO CCC[N@H+](CC(=O)c1ccc(OC)c(F)c1)C(C)C ZINC000037335169 173136872 /nfs/dbraw/zinc/13/68/72/173136872.db2.gz UXCFQXOEMUQQBF-UHFFFAOYSA-N 1 0 267.344 3.137 10 0 CGAERO CC[C@H](C)[NH2+]CC(=O)Nc1c(C)cccc1C(C)C ZINC000037386414 173170036 /nfs/dbraw/zinc/17/00/36/173170036.db2.gz SPVBUKJUBZSJJW-ZDUSSCGKSA-N 1 0 262.397 3.445 10 0 CGAERO C[C@H]([NH2+]C1CCCCCC1)C(=O)NC1CCCCC1 ZINC000037387528 173171074 /nfs/dbraw/zinc/17/10/74/173171074.db2.gz PWWGEVNDMLKYSA-ZDUSSCGKSA-N 1 0 266.429 3.136 10 0 CGAERO Cc1ccc2c(c1)nc([C@H]1CCC[NH2+]C1)n2C(C)C ZINC000037438414 173208575 /nfs/dbraw/zinc/20/85/75/173208575.db2.gz NGIBXYXKSYCXEK-ZDUSSCGKSA-N 1 0 257.381 3.393 10 0 CGAERO CCn1c2ccc(Cl)cc2nc1[C@H]([NH3+])C(C)C ZINC000037440428 173210406 /nfs/dbraw/zinc/21/04/06/173210406.db2.gz POTPSWRQYWJUON-GFCCVEGCSA-N 1 0 251.761 3.365 10 0 CGAERO C[NH2+][C@H](Cc1ccc(Cl)cc1)Cc1ccccn1 ZINC000037535360 173254503 /nfs/dbraw/zinc/25/45/03/173254503.db2.gz XXNNHCLFBIQRBY-OAHLLOKOSA-N 1 0 260.768 3.108 10 0 CGAERO CCOc1cccc(CC[NH3+])c1OCc1ccsc1 ZINC000037721951 173640371 /nfs/dbraw/zinc/64/03/71/173640371.db2.gz NATNBZYGKPVQKL-UHFFFAOYSA-N 1 0 277.389 3.227 10 0 CGAERO Cc1ccc([C@@](C)([NH2+]C2CCCCCC2)C(N)=O)cc1C ZINC000037972338 173924918 /nfs/dbraw/zinc/92/49/18/173924918.db2.gz FFHKOSWWJZQZBT-GOSISDBHSA-N 1 0 288.435 3.316 10 0 CGAERO CC(C)CCC[NH2+]C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000037984717 173946091 /nfs/dbraw/zinc/94/60/91/173946091.db2.gz MFCVEXCPFYRUNS-MRXNPFEDSA-N 1 0 299.842 3.243 10 0 CGAERO C[C@@H](CC(=O)N(CC[NH3+])Cc1ccccc1)CC(C)(C)C ZINC000038033074 174029885 /nfs/dbraw/zinc/02/98/85/174029885.db2.gz PJGSWFFPSFZZND-HNNXBMFYSA-N 1 0 290.451 3.436 10 0 CGAERO COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CCCOC1 ZINC000038043607 174050614 /nfs/dbraw/zinc/05/06/14/174050614.db2.gz IABLYQNMBLEKQT-SUMWQHHRSA-N 1 0 275.392 3.089 10 0 CGAERO Cc1cccc(C2CC([NH2+]C[C@H]3CCCOC3)C2)c1 ZINC000038044753 174052862 /nfs/dbraw/zinc/05/28/62/174052862.db2.gz LTRGARVCIATSHS-ODIFPOPNSA-N 1 0 259.393 3.257 10 0 CGAERO [NH3+][C@@H]1CCCC[C@@H]1Nc1c(F)c(F)c(F)c(F)c1F ZINC000038050970 174062920 /nfs/dbraw/zinc/06/29/20/174062920.db2.gz OCYJFUNKPJADEQ-RITPCOANSA-N 1 0 280.240 3.064 10 0 CGAERO C[NH2+][C@@H](CC(F)(F)F)c1ccc2c(c1)CCCO2 ZINC000038057932 174068087 /nfs/dbraw/zinc/06/80/87/174068087.db2.gz VFHNQGXLCJZGJS-NSHDSACASA-N 1 0 259.271 3.225 10 0 CGAERO C[C@H](Cc1ccco1)[NH2+]C[C@H](O)c1ccccc1Cl ZINC000038092542 174106313 /nfs/dbraw/zinc/10/63/13/174106313.db2.gz KRPLLWAYFLIPBT-ABAIWWIYSA-N 1 0 279.767 3.187 10 0 CGAERO C[C@@H](Cc1ccco1)[NH2+]C[C@H](O)c1ccccc1Cl ZINC000038092541 174106540 /nfs/dbraw/zinc/10/65/40/174106540.db2.gz KRPLLWAYFLIPBT-NHYWBVRUSA-N 1 0 279.767 3.187 10 0 CGAERO [NH3+]C[C@@H](c1cccc(Cl)c1)N1CCCCCC1 ZINC000038808914 174155905 /nfs/dbraw/zinc/15/59/05/174155905.db2.gz CTEZAIZMNVWTRR-AWEZNQCLSA-N 1 0 252.789 3.216 10 0 CGAERO CCCOc1ccc([C@@H](C[NH3+])N2CCC(C)CC2)cc1 ZINC000039789143 174173383 /nfs/dbraw/zinc/17/33/83/174173383.db2.gz LQGIJKOZLSFDNR-QGZVFWFLSA-N 1 0 276.424 3.207 10 0 CGAERO CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000040177369 174202607 /nfs/dbraw/zinc/20/26/07/174202607.db2.gz NZZMYTFRSVVNQH-HAFSJTIUSA-N 1 0 280.456 3.094 10 0 CGAERO CC[NH+](CC)CCn1cnc2ccc(Cl)cc21 ZINC000040405499 174254044 /nfs/dbraw/zinc/25/40/44/174254044.db2.gz QHFPPTZTBPEDKC-UHFFFAOYSA-N 1 0 251.761 3.032 10 0 CGAERO CC(C)[C@](C)(C[NH3+])c1ccc(Br)cc1 ZINC000041326406 174522762 /nfs/dbraw/zinc/52/27/62/174522762.db2.gz ZPSFITSWOPNUBG-LBPRGKRZSA-N 1 0 256.187 3.322 10 0 CGAERO CCOc1ccccc1-c1nc(CCC[NH3+])cs1 ZINC000041354405 174532451 /nfs/dbraw/zinc/53/24/51/174532451.db2.gz YRQVCEAGSBFNEL-UHFFFAOYSA-N 1 0 262.378 3.100 10 0 CGAERO [NH3+]Cc1ccc(OCCCOCC(F)(F)F)c(Cl)c1 ZINC000042321725 174684795 /nfs/dbraw/zinc/68/47/95/174684795.db2.gz MXOZCOQXVDDVOO-UHFFFAOYSA-N 1 0 297.704 3.147 10 0 CGAERO CC(C)[NH2+]CCN(C)Cc1cccc(C(F)(F)F)c1 ZINC000042691131 174839368 /nfs/dbraw/zinc/83/93/68/174839368.db2.gz SJFORZOVOGRGJT-UHFFFAOYSA-N 1 0 274.330 3.135 10 0 CGAERO CCCN(CC(F)(F)F)[C@@]1(C[NH3+])CCC[C@H](C)C1 ZINC000042746267 174865109 /nfs/dbraw/zinc/86/51/09/174865109.db2.gz VDRDFPUBDFUCDS-RYUDHWBXSA-N 1 0 266.351 3.168 10 0 CGAERO COc1cccc([C@@H](OC2CCCCC2)[C@@H](C)[NH3+])c1 ZINC000043029036 174948439 /nfs/dbraw/zinc/94/84/39/174948439.db2.gz PFKXVLXPTNPPFI-WBMJQRKESA-N 1 0 263.381 3.433 10 0 CGAERO Cc1ncsc1CCO[C@H](C[NH3+])c1ccccc1C ZINC000043039435 174952777 /nfs/dbraw/zinc/95/27/77/174952777.db2.gz YDSFACOPSLKLFZ-CQSZACIVSA-N 1 0 276.405 3.019 10 0 CGAERO CC[C@@H]([NH3+])[C@@H](c1ccccc1Cl)n1cc(C)cn1 ZINC000043053235 174960720 /nfs/dbraw/zinc/96/07/20/174960720.db2.gz VMCMWQGSHJTMNG-ZIAGYGMSSA-N 1 0 263.772 3.172 10 0 CGAERO C[NH2+]CCc1nc2cc(Cl)ccc2n1C(C)C ZINC000043598780 175077228 /nfs/dbraw/zinc/07/72/28/175077228.db2.gz VYIXGXIKWUNNSX-UHFFFAOYSA-N 1 0 251.761 3.033 10 0 CGAERO C[NH2+][C@H]1CCC[C@@H]1Cc1sccc1Br ZINC000043676296 175088343 /nfs/dbraw/zinc/08/83/43/175088343.db2.gz MYJAPWHPEDAOER-SCZZXKLOSA-N 1 0 274.227 3.441 10 0 CGAERO CC[C@H](Cc1cc(Br)cs1)[C@H](C)[NH3+] ZINC000043688074 175094975 /nfs/dbraw/zinc/09/49/75/175094975.db2.gz JNXUPOYHTWOEJO-JGVFFNPUSA-N 1 0 262.216 3.427 10 0 CGAERO CC(C)Oc1ccc([C@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000044114990 175141769 /nfs/dbraw/zinc/14/17/69/175141769.db2.gz IEQSQIASOLMBCN-QGZVFWFLSA-N 1 0 277.408 3.239 10 0 CGAERO O[C@@]12CCCC[C@@H]1C[N@H+](CCSc1ccccc1)CC2 ZINC000127895016 287298611 /nfs/dbraw/zinc/29/86/11/287298611.db2.gz CHEQJSFCQSDKBJ-NVXWUHKLSA-N 1 0 291.460 3.406 10 0 CGAERO CC(C)[N@@H+]1CC[C@@H](CNCc2nc3ccccc3s2)C1 ZINC000045134691 175312924 /nfs/dbraw/zinc/31/29/24/175312924.db2.gz GKDXWMKLKKVKTO-ZDUSSCGKSA-N 1 0 289.448 3.116 10 0 CGAERO COc1cccc(-c2cnc(C[NH2+]C3CC3)s2)c1 ZINC000045206078 175327491 /nfs/dbraw/zinc/32/74/91/175327491.db2.gz GDWNIGXOCYZTHM-UHFFFAOYSA-N 1 0 260.362 3.071 10 0 CGAERO CC(C)[NH2+]Cc1nc(-c2ccc(F)cc2)cs1 ZINC000045206555 175328540 /nfs/dbraw/zinc/32/85/40/175328540.db2.gz SQCATBBSBCEIGT-UHFFFAOYSA-N 1 0 250.342 3.447 10 0 CGAERO Cc1cccc(C)c1-c1cccc(OCC[NH+](C)C)n1 ZINC000045337082 175360849 /nfs/dbraw/zinc/36/08/49/175360849.db2.gz JHBWHUYJOTVNEB-UHFFFAOYSA-N 1 0 270.376 3.306 10 0 CGAERO CCCCOCCC[NH2+]Cc1cn(C)c2ccccc12 ZINC000045945051 175387527 /nfs/dbraw/zinc/38/75/27/175387527.db2.gz NEQCWTBVUPAQKR-UHFFFAOYSA-N 1 0 274.408 3.475 10 0 CGAERO CC(C)[C@H]1[NH2+]CCc2ccc(Br)cc21 ZINC000070821302 176007327 /nfs/dbraw/zinc/00/73/27/176007327.db2.gz NSVVXAIHLHBHME-GFCCVEGCSA-N 1 0 254.171 3.292 10 0 CGAERO CC(C)CCOCCN1Cc2ccc(F)cc2C1=[NH2+] ZINC000071269104 176102621 /nfs/dbraw/zinc/10/26/21/176102621.db2.gz CZRCGALQRWYGAG-UHFFFAOYSA-N 1 0 264.344 3.029 10 0 CGAERO [NH3+][C@@H](c1c[nH]c2ccc(Br)cc21)C1CC1 ZINC000071488170 176189651 /nfs/dbraw/zinc/18/96/51/176189651.db2.gz PXLLFABPFSLCMI-GFCCVEGCSA-N 1 0 265.154 3.340 10 0 CGAERO CCCCc1ccc(-c2ccc(C[NH2+]C)nn2)cc1 ZINC000071576772 176204625 /nfs/dbraw/zinc/20/46/25/176204625.db2.gz PHBBLNCLVPXSAT-UHFFFAOYSA-N 1 0 255.365 3.206 10 0 CGAERO CCCCc1ccc([C@@H](CC)N2CC[NH2+]CC2)cc1 ZINC000071587056 176214206 /nfs/dbraw/zinc/21/42/06/176214206.db2.gz BLHHVIIGZZEFHC-QGZVFWFLSA-N 1 0 260.425 3.386 10 0 CGAERO CC[NH2+][C@@H](C)[C@H](O)c1cc(C(C)C)c(OC)cc1C ZINC000071598021 176221447 /nfs/dbraw/zinc/22/14/47/176221447.db2.gz IJSQSRGWDYBVRR-LRDDRELGSA-N 1 0 265.397 3.158 10 0 CGAERO COc1cc(C)c([C@@H](C)OCC[NH3+])cc1C(C)(C)C ZINC000071598047 176221693 /nfs/dbraw/zinc/22/16/93/176221693.db2.gz SYTBMMWGZXPLNO-GFCCVEGCSA-N 1 0 265.397 3.337 10 0 CGAERO COc1ccc([C@@H]2CCCC[NH2+]2)cc1Br ZINC000071601409 176228058 /nfs/dbraw/zinc/22/80/58/176228058.db2.gz FGSJHLVCFHUINN-NSHDSACASA-N 1 0 270.170 3.272 10 0 CGAERO [NH3+]Cc1nc(-c2cc(Br)cs2)cs1 ZINC000071616031 176234949 /nfs/dbraw/zinc/23/49/49/176234949.db2.gz CWYWKZDDGJEKKG-UHFFFAOYSA-N 1 0 275.196 3.093 10 0 CGAERO COc1cccc([C@@H]2[NH2+]CC3(CC3)c3cc(OC)ccc32)c1 ZINC000071650856 176241034 /nfs/dbraw/zinc/24/10/34/176241034.db2.gz KORDKGXDAYFYEA-SFHVURJKSA-N 1 0 295.382 3.428 10 0 CGAERO Cc1cc(Br)c2c(c1)[C@H](C1CC1)[NH2+]CC2 ZINC000075790734 176786796 /nfs/dbraw/zinc/78/67/96/176786796.db2.gz FCYMONOPIWKILY-ZDUSSCGKSA-N 1 0 266.182 3.354 10 0 CGAERO Cc1cc(C(C)(C)C)cc(C)c1CN1CC[NH2+]C[C@H]1C ZINC000076436289 177024814 /nfs/dbraw/zinc/02/48/14/177024814.db2.gz ZXMFLUHVYWKTEK-OAHLLOKOSA-N 1 0 274.452 3.395 10 0 CGAERO COc1cc(C)c([C@H](C[NH3+])CC(C)C)cc1OC ZINC000076656032 177045728 /nfs/dbraw/zinc/04/57/28/177045728.db2.gz NOAXMUDAATYDCF-LBPRGKRZSA-N 1 0 251.370 3.101 10 0 CGAERO CC[C@@H](C[NH3+])CCC(=O)Nc1ccccc1Cl ZINC000076659053 177047742 /nfs/dbraw/zinc/04/77/42/177047742.db2.gz YLTSYLXROIAAFA-SNVBAGLBSA-N 1 0 254.761 3.044 10 0 CGAERO CC[C@@H](C[NH3+])CCC(=O)Nc1ccc(Cl)cc1 ZINC000076659065 177047888 /nfs/dbraw/zinc/04/78/88/177047888.db2.gz DUKIWHSYQOGFNL-SNVBAGLBSA-N 1 0 254.761 3.044 10 0 CGAERO [NH3+]CC[C@H](COc1ccccc1)c1ccc(F)cc1 ZINC000076668538 177052506 /nfs/dbraw/zinc/05/25/06/177052506.db2.gz MPVZJKRSWUMSQK-CQSZACIVSA-N 1 0 259.324 3.337 10 0 CGAERO CCC[C@@H](C[NH3+])CC(=O)Nc1c(C)cc(C)cc1C ZINC000076675761 177055938 /nfs/dbraw/zinc/05/59/38/177055938.db2.gz JZBRUVQBQWOFPW-CQSZACIVSA-N 1 0 262.397 3.315 10 0 CGAERO Cc1cc(C)cc(NC(=O)[C@@H](CC[NH3+])CC(C)C)c1 ZINC000076675528 177055988 /nfs/dbraw/zinc/05/59/88/177055988.db2.gz VZPYPYOJBJASGN-AWEZNQCLSA-N 1 0 262.397 3.253 10 0 CGAERO COc1cc(C)c([C@@H](CC[NH3+])C(C)(C)C)c(OC)c1 ZINC000076681805 177058899 /nfs/dbraw/zinc/05/88/99/177058899.db2.gz WGBOQLICCMNWFY-CYBMUJFWSA-N 1 0 265.397 3.491 10 0 CGAERO CC(C)C[C@H](CC[NH3+])C(=O)Nc1ccccc1Cl ZINC000076705904 177065341 /nfs/dbraw/zinc/06/53/41/177065341.db2.gz ZQKFPLKEDUFORU-NSHDSACASA-N 1 0 268.788 3.290 10 0 CGAERO CC[C@@H](C[NH3+])CCC(=O)Nc1cc(Cl)ccc1C ZINC000076706062 177065772 /nfs/dbraw/zinc/06/57/72/177065772.db2.gz LFDLPIQATPUVRT-LLVKDONJSA-N 1 0 268.788 3.352 10 0 CGAERO CC[C@@H](CC[NH3+])C(=O)Nc1ccccc1C(F)(F)F ZINC000076719092 177069485 /nfs/dbraw/zinc/06/94/85/177069485.db2.gz CLOIQXGODPRZFJ-VIFPVBQESA-N 1 0 274.286 3.019 10 0 CGAERO CC[C@@H](C[NH3+])CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000076722299 177069780 /nfs/dbraw/zinc/06/97/80/177069780.db2.gz RYSHQVIDGJAOPU-MRVPVSSYSA-N 1 0 275.179 3.307 10 0 CGAERO CC[C@H](C[NH3+])CC(=O)Nc1cc(Cl)ccc1Cl ZINC000076722307 177069799 /nfs/dbraw/zinc/06/97/99/177069799.db2.gz ZGOIETSTFCSFPV-QMMMGPOBSA-N 1 0 275.179 3.307 10 0 CGAERO CC[NH2+]CCc1csc(CCc2ccccc2)n1 ZINC000076783328 177091209 /nfs/dbraw/zinc/09/12/09/177091209.db2.gz QTDKEXVJACPPGW-UHFFFAOYSA-N 1 0 260.406 3.080 10 0 CGAERO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)c(Cl)c1 ZINC000404529135 416555343 /nfs/dbraw/zinc/55/53/43/416555343.db2.gz VQOPFCBXVWWVRD-CHWSQXEVSA-N 1 0 253.773 3.042 10 0 CGAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000130569635 287358269 /nfs/dbraw/zinc/35/82/69/287358269.db2.gz LBBOYZYJBUWPGM-DOTOQJQBSA-N 1 0 278.415 3.379 10 0 CGAERO CC[C@H]1CCC[C@@](C[NH3+])(C(=O)OC(C)(C)C)CC1 ZINC000725244640 544112260 /nfs/dbraw/zinc/11/22/60/544112260.db2.gz KYYDMEWJGFDMIG-SWLSCSKDSA-N 1 0 255.402 3.264 10 0 CGAERO CCC(C)(C)[C@H]1CCC(OC)(OC)[C@H](CC[NH3+])C1 ZINC000725261908 544113834 /nfs/dbraw/zinc/11/38/34/544113834.db2.gz NCNJXVXLSBTWRI-QWHCGFSZSA-N 1 0 257.418 3.177 10 0 CGAERO C[C@H]([NH2+]C1CC(CO)C1)c1ccc(Cl)c(Cl)c1 ZINC000658351278 418946856 /nfs/dbraw/zinc/94/68/56/418946856.db2.gz MDMKZGHIQGDNRN-SILCLGDVSA-N 1 0 274.191 3.415 10 0 CGAERO Cc1ccc(C[N@H+](C)C[C@@H]2CCC[C@@H](O)C2)s1 ZINC000659875980 419026118 /nfs/dbraw/zinc/02/61/18/419026118.db2.gz UJHXDCDEBDZPAD-CHWSQXEVSA-N 1 0 253.411 3.039 10 0 CGAERO O[C@@]12CCCC[C@H]1C[N@H+](CCCC1CCC1)CC2 ZINC000660013103 419065697 /nfs/dbraw/zinc/06/56/97/419065697.db2.gz OCJPLZCPQXKXNB-JKSUJKDBSA-N 1 0 251.414 3.194 10 0 CGAERO C[C@@H]1CC[C@@H]([NH2+][C@@H](CN(C)C)c2ccccc2)CS1 ZINC000655695592 419067627 /nfs/dbraw/zinc/06/76/27/419067627.db2.gz NUUFUKSTGVMNPH-BMFZPTHFSA-N 1 0 278.465 3.163 10 0 CGAERO [NH3+]C1(CNc2ncc(C(F)(F)F)cc2Cl)CCCC1 ZINC000656610201 419186664 /nfs/dbraw/zinc/18/66/64/419186664.db2.gz LRKXFHMIRXNXSG-UHFFFAOYSA-N 1 0 293.720 3.437 10 0 CGAERO CN(CC(C)(C)[NH3+])c1ccnc2cc(Cl)ccc21 ZINC000656609320 419187008 /nfs/dbraw/zinc/18/70/08/419187008.db2.gz MSHTXEWYDDEUFV-UHFFFAOYSA-N 1 0 263.772 3.062 10 0 CGAERO Cc1ccc([C@@H](C)[NH2+]Cc2cnc3n2CCC3)c(C)c1 ZINC000657317293 419249470 /nfs/dbraw/zinc/24/94/70/419249470.db2.gz BJMHXNNCRIJMEB-CQSZACIVSA-N 1 0 269.392 3.297 10 0 CGAERO CC[C@@H]([NH2+]CC1(O)CCSCC1)c1ccccc1F ZINC000660923449 419212094 /nfs/dbraw/zinc/21/20/94/419212094.db2.gz OLOZQAUVVUUVDY-CQSZACIVSA-N 1 0 283.412 3.125 10 0 CGAERO Cc1c[nH]c(C[NH2+][C@H]2CC[C@@H](C)c3ccccc32)n1 ZINC000657415603 419273596 /nfs/dbraw/zinc/27/35/96/419273596.db2.gz MIZBFXZHAYBSJJ-ABAIWWIYSA-N 1 0 255.365 3.446 10 0 CGAERO OC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000223864937 287631204 /nfs/dbraw/zinc/63/12/04/287631204.db2.gz FQLMBROGHVBJRX-USXIJHARSA-N 1 0 259.393 3.205 10 0 CGAERO CCC(CC)(CO)C[NH2+]Cc1ccnc2ccccc12 ZINC000229209263 287638644 /nfs/dbraw/zinc/63/86/44/287638644.db2.gz HCXICNRUUPDPSS-UHFFFAOYSA-N 1 0 272.392 3.123 10 0 CGAERO CCO[C@@H]1C[C@@H]([NH2+]CC=C(C)C)[C@@H]1Oc1ccccc1 ZINC000188441048 262297368 /nfs/dbraw/zinc/29/73/68/262297368.db2.gz ACPJZYHACOXFCP-ZACQAIPSSA-N 1 0 275.392 3.167 10 0 CGAERO C[C@H]1CCc2ccccc2N1CCC1CC[NH2+]CC1 ZINC000020593490 262345405 /nfs/dbraw/zinc/34/54/05/262345405.db2.gz BUJDQJGTFGXQQA-AWEZNQCLSA-N 1 0 258.409 3.217 10 0 CGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]C1CCC(C(N)=O)CC1 ZINC000037152266 270028682 /nfs/dbraw/zinc/02/86/82/270028682.db2.gz USMRJFIOFDSOJG-NVDSNGLKSA-N 1 0 280.456 3.081 10 0 CGAERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1ccc(Cl)cc1 ZINC000037166667 270028722 /nfs/dbraw/zinc/02/87/22/270028722.db2.gz MRXRXNXHLKMASO-OAHLLOKOSA-N 1 0 268.832 3.406 10 0 CGAERO COc1ccc([C@@H](C)[NH2+][C@@H](CC(C)C)CN(C)C)cc1 ZINC000037167129 270028749 /nfs/dbraw/zinc/02/87/49/270028749.db2.gz UAZVALKDDXIPDG-ZBFHGGJFSA-N 1 0 278.440 3.322 10 0 CGAERO CC(C)C[C@@H](CN(C)C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000037166554 270028908 /nfs/dbraw/zinc/02/89/08/270028908.db2.gz AHSUILRVCUWZPS-WBVHZDCISA-N 1 0 262.441 3.356 10 0 CGAERO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(CCc3ccccc3)C2)C1 ZINC000042277137 270032179 /nfs/dbraw/zinc/03/21/79/270032179.db2.gz YHZWXCSLHOJFSA-BHIYHBOVSA-N 1 0 286.463 3.472 10 0 CGAERO CCCNC(=O)CC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000045071695 270037760 /nfs/dbraw/zinc/03/77/60/270037760.db2.gz BWCMZEMZYHMXKI-KBPBESRZSA-N 1 0 268.445 3.097 10 0 CGAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000085362087 270043415 /nfs/dbraw/zinc/04/34/15/270043415.db2.gz NPARFLHEJHVFRV-HOTGVXAUSA-N 1 0 288.391 3.074 10 0 CGAERO CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CC[C@H](C)O2)cc1 ZINC000190566886 270073602 /nfs/dbraw/zinc/07/36/02/270073602.db2.gz CDUKSHNYVLQJPS-XJKSGUPXSA-N 1 0 290.407 3.034 10 0 CGAERO CCN1CCC[C@@H]([NH2+][C@H](C)CCc2ccc(OC)cc2)C1 ZINC000250224609 270091263 /nfs/dbraw/zinc/09/12/63/270091263.db2.gz FFZWRINQBMBEOM-NVXWUHKLSA-N 1 0 290.451 3.090 10 0 CGAERO CC[C@H]([NH2+][C@H](CN(C)C)c1ccccc1)[C@H]1C[C@H]1C ZINC000321173130 270093192 /nfs/dbraw/zinc/09/31/92/270093192.db2.gz YPPYYPVPWXOWSL-BSWAZPDLSA-N 1 0 260.425 3.314 10 0 CGAERO CC1(C)C[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)c2ccccc2O1 ZINC000520839429 270099365 /nfs/dbraw/zinc/09/93/65/270099365.db2.gz DBHMETFAFHFQJK-RBSFLKMASA-N 1 0 275.392 3.182 10 0 CGAERO COc1c(O)cc2c3c1-c1ccccc1C[C@H]3[N@@H+](C)CC2 ZINC000003644819 274090018 /nfs/dbraw/zinc/09/00/18/274090018.db2.gz AKXOIHNFHOEPHN-CQSZACIVSA-N 1 0 281.355 3.153 10 0 endogenous,in-man CGAERO OCC[C@@H]1CC[N@@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000227567580 275047705 /nfs/dbraw/zinc/04/77/05/275047705.db2.gz HHZNOYHZMKOUMR-AWEZNQCLSA-N 1 0 279.383 3.461 10 0 CGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCN1CCCC1=O ZINC000250122232 287827468 /nfs/dbraw/zinc/82/74/68/287827468.db2.gz HYMQJYZYOHRAES-PMPSAXMXSA-N 1 0 280.456 3.049 10 0 CGAERO CC(C)(C)OC(=O)N1CCC[C@@H](C2CCC([NH3+])CC2)C1 ZINC000044135579 275823630 /nfs/dbraw/zinc/82/36/30/275823630.db2.gz MYEYVSLXFUBETM-ROKHWSDSSA-N 1 0 282.428 3.151 10 0 CGAERO CC(C)c1ccc([C@@](C)([NH2+]C2CCCCC2)C(N)=O)cc1 ZINC000037971289 276057095 /nfs/dbraw/zinc/05/70/95/276057095.db2.gz UKWBGNJKMQJJTD-GOSISDBHSA-N 1 0 288.435 3.433 10 0 CGAERO CCSCC[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000310205981 276395089 /nfs/dbraw/zinc/39/50/89/276395089.db2.gz ISPHNBMTONHPIV-ZDUSSCGKSA-N 1 0 257.443 3.211 10 0 CGAERO CN(C)c1ccccc1C[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000173572504 276888798 /nfs/dbraw/zinc/88/87/98/276888798.db2.gz UFQKYQZQSTXSIR-FUHWJXTLSA-N 1 0 298.434 3.223 10 0 CGAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1cc2ccccc2s1 ZINC000392905197 287996956 /nfs/dbraw/zinc/99/69/56/287996956.db2.gz RAKVBTDCUQEPIG-GVXVVHGQSA-N 1 0 288.416 3.219 10 0 CGAERO C[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)Oc3ccccc32)[C@@H](C)O1 ZINC000395046555 288005252 /nfs/dbraw/zinc/00/52/52/288005252.db2.gz KXPNIAIRLUQEHT-UXOAXIEHSA-N 1 0 275.392 3.444 10 0 CGAERO C[C@H](N[C@H]1CCC[NH2+][C@H]1C)c1ccccc1Br ZINC000396599918 288014308 /nfs/dbraw/zinc/01/43/08/288014308.db2.gz ASSLXIMAZRVAOC-MJVIPROJSA-N 1 0 297.240 3.240 10 0 CGAERO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1cccc2c1OC(C)(C)C2 ZINC000080510008 278227662 /nfs/dbraw/zinc/22/76/62/278227662.db2.gz RWACXXOURBXMGC-BBRMVZONSA-N 1 0 288.435 3.102 10 0 CGAERO 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C[NH2+][C@H](CCCOC)Cc1ccc(F)cc1Cl ZINC000062608019 522458156 /nfs/dbraw/zinc/45/81/56/522458156.db2.gz TTXOBMCINKXSBN-GFCCVEGCSA-N 1 0 259.752 3.036 10 0 CGAERO CCc1[nH+]c2cc(N)ccc2n1CCc1cccs1 ZINC000052842233 522486578 /nfs/dbraw/zinc/48/65/78/522486578.db2.gz BAIRXJVYPUTBJW-UHFFFAOYSA-N 1 0 271.389 3.485 10 0 CGAERO C[NH2+][C@H]1CCCC[C@H]1OCc1ccccc1Cl ZINC000050503266 522490376 /nfs/dbraw/zinc/49/03/76/522490376.db2.gz IEQAHHIIAADESF-UONOGXRCSA-N 1 0 253.773 3.387 10 0 CGAERO CC[C@H]([NH2+]C)[C@H](C)N1CCC2(CCCCC2)CC1 ZINC000061819334 522557013 /nfs/dbraw/zinc/55/70/13/522557013.db2.gz LVKCRTMPAQWTCI-GJZGRUSLSA-N 1 0 252.446 3.419 10 0 CGAERO COc1cc(OC)c(N2CCCCC2=[NH2+])cc1Cl ZINC000049583928 522795520 /nfs/dbraw/zinc/79/55/20/522795520.db2.gz AKEAYKLAIYGDMA-UHFFFAOYSA-N 1 0 268.744 3.325 10 0 CGAERO COCCC[C@H](C[NH2+]C1CC1)Cc1ccccc1C ZINC000052978903 523493189 /nfs/dbraw/zinc/49/31/89/523493189.db2.gz ZTBSWLSWXKDCQU-HNNXBMFYSA-N 1 0 261.409 3.332 10 0 CGAERO CC[C@@H]1CSC(N[C@H](C)c2sc(C)nc2C)=[NH+]1 ZINC000049534248 523519857 /nfs/dbraw/zinc/51/98/57/523519857.db2.gz XBJLCUPYOBIITK-PSASIEDQSA-N 1 0 269.439 3.292 10 0 CGAERO CC[C@@](C)([NH3+])c1noc(-c2ccc(Cl)s2)n1 ZINC000051173369 523645688 /nfs/dbraw/zinc/64/56/88/523645688.db2.gz POXIFGDHCXPSMS-SNVBAGLBSA-N 1 0 257.746 3.035 10 0 CGAERO CC[C@H](C)[N@H+](C)CC[C@H](N)c1ccc(Cl)cc1 ZINC000053977983 523923104 /nfs/dbraw/zinc/92/31/04/523923104.db2.gz RMLBMKXNBUBJMA-FZMZJTMJSA-N 1 0 254.805 3.460 10 0 CGAERO CO[C@H]1CCC[C@@H]1[NH2+][C@@H](C)CCc1cccc(C)c1 ZINC000050372179 523981452 /nfs/dbraw/zinc/98/14/52/523981452.db2.gz AWUDMPIGLHLXAK-XIRDDKMYSA-N 1 0 261.409 3.473 10 0 CGAERO Cc1cccc(C[N@H+]2CC(C)(C)NC[C@@H]2C(C)C)c1 ZINC000062657431 524387134 /nfs/dbraw/zinc/38/71/34/524387134.db2.gz YSRYNRWVVLTPTK-MRXNPFEDSA-N 1 0 260.425 3.203 10 0 CGAERO Cc1cccc(C[C@H]([NH3+])c2ccc3c(c2)CCO3)c1 ZINC000052126983 524470435 /nfs/dbraw/zinc/47/04/35/524470435.db2.gz VABQVWUBKLGCKN-INIZCTEOSA-N 1 0 253.345 3.172 10 0 CGAERO Cc1cc(C)nc(SCC[NH2+][C@@H]2CCC[C@@H](C)C2)n1 ZINC000053624009 524599339 /nfs/dbraw/zinc/59/93/39/524599339.db2.gz XUWADOMWXTXLNA-BXUZGUMPSA-N 1 0 279.453 3.354 10 0 CGAERO C[C@H]([NH3+])[C@H](C)C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000156841906 524851863 /nfs/dbraw/zinc/85/18/63/524851863.db2.gz IQNCUBHXTORQTE-STQMWFEESA-N 1 0 284.359 3.401 10 0 CGAERO Cc1ccc(N(CCC[NH3+])c2ncccc2F)cc1 ZINC000054700336 524898991 /nfs/dbraw/zinc/89/89/91/524898991.db2.gz MISSCGKBMUVLEB-UHFFFAOYSA-N 1 0 259.328 3.016 10 0 CGAERO Cc1ccc(N2CC[C@@H](C[NH2+]C(C)C)C2)c(Cl)c1 ZINC000053013130 524969671 /nfs/dbraw/zinc/96/96/71/524969671.db2.gz BNJRYLQKMAQLSH-ZDUSSCGKSA-N 1 0 266.816 3.473 10 0 CGAERO C[C@@H]([NH3+])CCNc1ccccc1Cc1ccccc1 ZINC000051040707 524997960 /nfs/dbraw/zinc/99/79/60/524997960.db2.gz DIJSINCPPVVUDL-CQSZACIVSA-N 1 0 254.377 3.427 10 0 CGAERO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C(C1CC1)C1CC1 ZINC000157564225 525020585 /nfs/dbraw/zinc/02/05/85/525020585.db2.gz YVLIVBMEDSLOCG-KDOFPFPSSA-N 1 0 299.462 3.070 10 0 CGAERO C[C@@H]([NH3+])c1cnc(N2CCC[C@@H]2C2CCCC2)s1 ZINC000054897144 525032682 /nfs/dbraw/zinc/03/26/82/525032682.db2.gz JQSYYBRHZFOPHG-ZYHUDNBSSA-N 1 0 265.426 3.322 10 0 CGAERO C[C@]([NH3+])(c1cccc(Br)c1)c1cncc(F)c1 ZINC000049576007 525150708 /nfs/dbraw/zinc/15/07/08/525150708.db2.gz AMWKITRJMHDPGN-ZDUSSCGKSA-N 1 0 295.155 3.205 10 0 CGAERO COc1ccc([C@@](C)([NH3+])c2ccccc2C)cc1F ZINC000055262024 525281256 /nfs/dbraw/zinc/28/12/56/525281256.db2.gz SFABSFXOKYNPOR-MRXNPFEDSA-N 1 0 259.324 3.365 10 0 CGAERO Cc1ccccc1[C@@H]([NH2+]CC(C)(C)C(N)=O)c1ccccc1 ZINC000183638335 525372368 /nfs/dbraw/zinc/37/23/68/525372368.db2.gz ZLOGLJPUJINTSZ-KRWDZBQOSA-N 1 0 296.414 3.186 10 0 CGAERO Cc1cc([C@@H](C)[NH2+]C[C@H](O)COC(C)(C)C)c(C)s1 ZINC000049507184 525465263 /nfs/dbraw/zinc/46/52/63/525465263.db2.gz OCEFLGVJJVKYFB-YPMHNXCESA-N 1 0 285.453 3.192 10 0 CGAERO Cc1ccc(SCCC[NH+]2CCCC2)c(N)c1 ZINC000049333103 525654642 /nfs/dbraw/zinc/65/46/42/525654642.db2.gz QETNAIKAWUZSMK-UHFFFAOYSA-N 1 0 250.411 3.155 10 0 CGAERO Cc1ccnc(S[C@@H](C[NH3+])c2cccc(Cl)c2)n1 ZINC000051331324 525710716 /nfs/dbraw/zinc/71/07/16/525710716.db2.gz PWJNQDBZJDNMOI-LBPRGKRZSA-N 1 0 279.796 3.231 10 0 CGAERO Cc1ccc([C@@H]([NH2+][C@@H]2CCCC[C@@H]2O)C2CC2)cc1 ZINC000051770310 525775475 /nfs/dbraw/zinc/77/54/75/525775475.db2.gz HEBXUOOWGRHDRC-IXDOHACOSA-N 1 0 259.393 3.339 10 0 CGAERO Cc1ccc(-c2nc(C)c(C(C)C)c(NN)[nH+]2)cc1 ZINC000061688980 525805391 /nfs/dbraw/zinc/80/53/91/525805391.db2.gz PHVDUGSNSYFVSV-UHFFFAOYSA-N 1 0 256.353 3.169 10 0 CGAERO CSc1ccccc1NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000156674589 526177655 /nfs/dbraw/zinc/17/76/55/526177655.db2.gz BHHAJRHHJXKKEH-UHFFFAOYSA-N 1 0 284.384 3.264 10 0 CGAERO Cc1cnn([C@H](C[NH2+]C(C)(C)C)c2ccccc2)c1 ZINC000052577042 526267244 /nfs/dbraw/zinc/26/72/44/526267244.db2.gz VWECDDXIODHBJL-OAHLLOKOSA-N 1 0 257.381 3.169 10 0 CGAERO Fc1cccc(Cl)c1C[C@@]1(C[NH2+]C2CC2)CCOC1 ZINC000054665402 526391963 /nfs/dbraw/zinc/39/19/63/526391963.db2.gz YHRQQQPJEDLMDR-OAHLLOKOSA-N 1 0 283.774 3.180 10 0 CGAERO c1cc(SCC[NH2+]C[C@H]2CCCO2)cc2c1CCC2 ZINC000053619981 526435853 /nfs/dbraw/zinc/43/58/53/526435853.db2.gz FDGAAZMFSMIKIZ-OAHLLOKOSA-N 1 0 277.433 3.036 10 0 CGAERO c1ccc(C[C@H]2C[N@@H+](C3CCCCC3)CCCN2)cc1 ZINC000062666581 526476919 /nfs/dbraw/zinc/47/69/19/526476919.db2.gz UWNYPZKLAHSMET-KRWDZBQOSA-N 1 0 272.436 3.226 10 0 CGAERO Cc1nc(-c2ccncc2)sc1C[NH2+]CC(C)C ZINC000052331239 526618503 /nfs/dbraw/zinc/61/85/03/526618503.db2.gz MMBURFHTCBPRJO-UHFFFAOYSA-N 1 0 261.394 3.259 10 0 CGAERO Clc1ccc(CN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000063188338 526944372 /nfs/dbraw/zinc/94/43/72/526944372.db2.gz TXIIRBJRSXANBS-HOTGVXAUSA-N 1 0 278.827 3.447 10 0 CGAERO OCCC[C@@H]1CCC[N@@H+]1Cc1cccc(Br)c1 ZINC000052762316 527545354 /nfs/dbraw/zinc/54/53/54/527545354.db2.gz NTOUSDVGIUSHRC-AWEZNQCLSA-N 1 0 298.224 3.186 10 0 CGAERO OCCC[C@H]1CCC[N@@H+]1Cc1nc2ccccc2s1 ZINC000052762513 527546223 /nfs/dbraw/zinc/54/62/23/527546223.db2.gz NVVMXBRYZMVUQZ-GFCCVEGCSA-N 1 0 276.405 3.033 10 0 CGAERO O[C@@H]1CCCC[C@@H]1C[NH2+]C1CC(c2ccccc2)C1 ZINC000085973089 527668338 /nfs/dbraw/zinc/66/83/38/527668338.db2.gz NCAUFLKUKTXPFU-RDHHWEPZSA-N 1 0 259.393 3.073 10 0 CGAERO O[C@@H]1CCC[C@@H]1C[NH+]1CCC2(CCCCC2)CC1 ZINC000061822713 527671920 /nfs/dbraw/zinc/67/19/20/527671920.db2.gz CWMAIECLBCNEPB-HUUCEWRRSA-N 1 0 251.414 3.194 10 0 CGAERO FC(F)(F)c1cnc(Cl)c(NCC2CC[NH2+]CC2)c1 ZINC000045949535 527688968 /nfs/dbraw/zinc/68/89/68/527688968.db2.gz FGVYDMYMGFRVQJ-UHFFFAOYSA-N 1 0 293.720 3.165 10 0 CGAERO CC(C)[C@H](O)C[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000164349161 527742358 /nfs/dbraw/zinc/74/23/58/527742358.db2.gz KAWIAEJBRSWLRJ-HZPDHXFCSA-N 1 0 261.409 3.307 10 0 CGAERO CC/C=C\C[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400441910 528802439 /nfs/dbraw/zinc/80/24/39/528802439.db2.gz MTUSDFNLOUILKN-JUBSNLHESA-N 1 0 282.428 3.188 10 0 CGAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc2cccnc21 ZINC000175033875 529305836 /nfs/dbraw/zinc/30/58/36/529305836.db2.gz SCPGKZBOOSOCKW-ZWKOTPCHSA-N 1 0 295.430 3.293 10 0 CGAERO CC[C@](C)(O)C[N@H+]1CC=C(c2ccccc2F)CC1 ZINC000119519568 529374198 /nfs/dbraw/zinc/37/41/98/529374198.db2.gz XVERVMGNJDBUHQ-INIZCTEOSA-N 1 0 263.356 3.076 10 0 CGAERO CC(C)[C@@H]1C[NH2+][C@H](C)CN1c1ccc(F)c(Cl)c1 ZINC000083518250 535264666 /nfs/dbraw/zinc/26/46/66/535264666.db2.gz KSTJTSYSPRXYEU-YGRLFVJLSA-N 1 0 270.779 3.302 10 0 CGAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1c1ccccc1F ZINC000083383619 535825202 /nfs/dbraw/zinc/82/52/02/535825202.db2.gz HBPBLJSBIFEARE-TZMCWYRMSA-N 1 0 250.361 3.039 10 0 CGAERO CCc1nc2c(s1)[C@@H]([NH2+][C@@H]1CCCN(CC)C1)CCC2 ZINC000133033557 536155881 /nfs/dbraw/zinc/15/58/81/536155881.db2.gz MTTUOGCQIJFBNC-OLZOCXBDSA-N 1 0 293.480 3.157 10 0 CGAERO CC[C@H]1C[NH2+][C@H](C)CN1c1ccc(C(F)(F)F)cc1 ZINC000083535430 536169584 /nfs/dbraw/zinc/16/95/84/536169584.db2.gz YIWLXNMEFSFXFB-PWSUYJOCSA-N 1 0 272.314 3.282 10 0 CGAERO CN1C(=O)C[C@@H]([NH2+]CCCC(F)(F)F)c2ccccc21 ZINC000126788918 536316281 /nfs/dbraw/zinc/31/62/81/536316281.db2.gz CMYSAKKEMKQHJR-LLVKDONJSA-N 1 0 286.297 3.026 10 0 CGAERO [NH3+]C[C@@H](Sc1cccc(F)c1)C(F)(F)C(F)(F)F ZINC000616571497 570408913 /nfs/dbraw/zinc/40/89/13/570408913.db2.gz XXMPMRLGKDDYBK-MRVPVSSYSA-N 1 0 289.244 3.443 10 0 CGAERO CC[C@@H](C)CS[C@@H](C[NH3+])C(F)(F)C(F)(F)F ZINC000616571069 570408954 /nfs/dbraw/zinc/40/89/54/570408954.db2.gz VJCJUMHCCJBQBZ-RQJHMYQMSA-N 1 0 265.291 3.291 10 0 CGAERO CC(C)[NH2+]CC[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000381994997 570250710 /nfs/dbraw/zinc/25/07/10/570250710.db2.gz PTOOHNOORCQEPA-QWHCGFSZSA-N 1 0 270.417 3.068 10 0 CGAERO Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H](O)C2)c(C)s1 ZINC000217620988 572395283 /nfs/dbraw/zinc/39/52/83/572395283.db2.gz MGYJJYCBQVSLGD-CYZMBNFOSA-N 1 0 253.411 3.319 10 0 CGAERO CC(C)c1ccc([C@H](C)NC(=O)CCCC[NH3+])cc1 ZINC000070202003 572617194 /nfs/dbraw/zinc/61/71/94/572617194.db2.gz GQSKDYBRDGHFRK-ZDUSSCGKSA-N 1 0 262.397 3.116 10 0 CGAERO CC(C)[C@@H]1OC2(CC(CF)(CF)C2)[NH2+]CC1(C)C ZINC000757145122 617802513 /nfs/dbraw/zinc/80/25/13/617802513.db2.gz HWPWHWIZJWFHRW-NSHDSACASA-N 1 0 261.356 3.073 10 0 CGAERO CC(C)[C@@H](C)[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000309366602 618672093 /nfs/dbraw/zinc/67/20/93/618672093.db2.gz PREISCWUNWEMHU-MFKMUULPSA-N 1 0 286.213 3.117 10 0 CGAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)/C=C(\C)c1ccccc1 ZINC000177010706 618771838 /nfs/dbraw/zinc/77/18/38/618771838.db2.gz HOOCLWFMWXNJRO-LCJXNMAOSA-N 1 0 286.419 3.033 10 0 CGAERO Cc1ccc(-c2nc(C[C@@H]3CCC[NH2+]C3)no2)c(Cl)c1 ZINC000236005140 618835701 /nfs/dbraw/zinc/83/57/01/618835701.db2.gz GEQBKCOHZNTCDC-NSHDSACASA-N 1 0 291.782 3.241 10 0 CGAERO Cc1csc(-c2nc(C[C@@H]3CCC[NH2+]C3)no2)c1Cl ZINC000236021084 618836332 /nfs/dbraw/zinc/83/63/32/618836332.db2.gz QISYXIWGLAGETD-VIFPVBQESA-N 1 0 297.811 3.302 10 0 CGAERO CC[C@H]1CC[N@H+](C[C@H](O)c2cc3ccccc3o2)C1 ZINC000161749684 618852395 /nfs/dbraw/zinc/85/23/95/618852395.db2.gz 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346336736 /nfs/dbraw/zinc/33/67/36/346336736.db2.gz SQQFSUMUCMYZKB-JGVFFNPUSA-N 1 0 258.134 3.054 10 0 CGAERO C[C@@H]1C[C@H]1[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000247488089 346370954 /nfs/dbraw/zinc/37/09/54/346370954.db2.gz VLVKSGOWCREOKP-KCPJHIHWSA-N 1 0 295.810 3.396 10 0 CGAERO CC[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)C1 ZINC000248444184 346376007 /nfs/dbraw/zinc/37/60/07/346376007.db2.gz BJITVYWFEPIWAO-BZUAXINKSA-N 1 0 275.440 3.426 10 0 CGAERO C[C@@H]([NH3+])Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000258209135 346400787 /nfs/dbraw/zinc/40/07/87/346400787.db2.gz QJBAFOORTUMZCG-CQSZACIVSA-N 1 0 266.388 3.139 10 0 CGAERO CC1(C)[C@H](c2ccc(Br)cc2F)[C@@H]1[NH3+] ZINC000301040441 346439015 /nfs/dbraw/zinc/43/90/15/346439015.db2.gz ZAUKHLMCKPDDIU-ZJUUUORDSA-N 1 0 258.134 3.039 10 0 CGAERO Cc1sc(Br)c(C[NH3+])c1[C@@H]1C[C@H]1C ZINC000307635519 346464140 /nfs/dbraw/zinc/46/41/40/346464140.db2.gz RXGHGRKFLCAWJK-IYSWYEEDSA-N 1 0 260.200 3.401 10 0 CGAERO 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10 0 CGAERO CCC(=O)O[C@]1(c2ccccc2)CCC[C@H]([NH+](C)C)C1 ZINC000584601567 346689867 /nfs/dbraw/zinc/68/98/67/346689867.db2.gz YZMSSHLJWVZZAZ-DOTOQJQBSA-N 1 0 275.392 3.339 10 0 CGAERO CC[NH2+]CCCCC1=N[C@H](c2ccccc2)N(CC)O1 ZINC000584614141 346693175 /nfs/dbraw/zinc/69/31/75/346693175.db2.gz UDWQDWJXBDDIKU-INIZCTEOSA-N 1 0 275.396 3.131 10 0 CGAERO C[NH+](C)CC[C@@]1(O)c2ccccc2C[C@]1(C)c1ccccc1 ZINC000584620189 346695172 /nfs/dbraw/zinc/69/51/72/346695172.db2.gz SICMMRDTTSNPKA-WOJBJXKFSA-N 1 0 295.426 3.340 10 0 CGAERO CCC(=O)[C@]1(c2cccc(OC(C)C)c2)CC[N@H+](C)C1 ZINC000584621176 346695910 /nfs/dbraw/zinc/69/59/10/346695910.db2.gz KISJNUKVKQXNIK-QGZVFWFLSA-N 1 0 275.392 3.026 10 0 CGAERO Nc1cc(Nc2cc3cc[nH]c3cc2Cl)cc[nH+]1 ZINC000584624086 346696357 /nfs/dbraw/zinc/69/63/57/346696357.db2.gz RQIUOQRXCPTALU-UHFFFAOYSA-N 1 0 258.712 3.372 10 0 CGAERO Cc1cccc(C)c1[C@]1(O)CC[N@@H+]2CCCC[C@H]2C1 ZINC000584625419 346697497 /nfs/dbraw/zinc/69/74/97/346697497.db2.gz MAZYAQHCVVAFNR-RDJZCZTQSA-N 1 0 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OPMIXUUBGQWMOD-INIZCTEOSA-N 1 0 261.409 3.199 10 0 CGAERO CC(C)[S@](=N)(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000616568086 348833247 /nfs/dbraw/zinc/83/32/47/348833247.db2.gz CIMAVNHLKISSDH-IBGZPJMESA-N 1 0 280.437 3.106 10 0 CGAERO Cc1cc(Oc2ccc(F)cc2)nc([C@@H]2CCC[NH2+]C2)n1 ZINC000616576071 348834237 /nfs/dbraw/zinc/83/42/37/348834237.db2.gz PHRNIEGXOWAPJA-GFCCVEGCSA-N 1 0 287.338 3.183 10 0 CGAERO CC(C)[N@@H+]1CCO[C@@H](c2cc3ccccc3cn2)CC1 ZINC000616594610 348839434 /nfs/dbraw/zinc/83/94/34/348839434.db2.gz GOJQLOCPCFGAII-QGZVFWFLSA-N 1 0 270.376 3.407 10 0 CGAERO CC[N@@H+]1CCOCC[C@@H]1c1cc2ccccc2cn1 ZINC000616599855 348841249 /nfs/dbraw/zinc/84/12/49/348841249.db2.gz XZMYLQHSANFHCR-MRXNPFEDSA-N 1 0 256.349 3.018 10 0 CGAERO FC(F)(F)O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000616618947 348848253 /nfs/dbraw/zinc/84/82/53/348848253.db2.gz YTVUPOUNLAJHTP-LBPRGKRZSA-N 1 0 259.271 3.187 10 0 CGAERO CC(C)(C)[N@@H+]1CCO[C@@H](c2cccc3cnccc32)C1 ZINC000616603417 348843276 /nfs/dbraw/zinc/84/32/76/348843276.db2.gz OEFCJARDCMCLLN-MRXNPFEDSA-N 1 0 270.376 3.407 10 0 CGAERO CCOC(=O)c1ccccc1[C@@H]1CCC[N@@H+]1C(C)C ZINC000616606170 348844129 /nfs/dbraw/zinc/84/41/29/348844129.db2.gz AMDPGYMNWUIBSG-HNNXBMFYSA-N 1 0 261.365 3.409 10 0 CGAERO C[N@@H+]1CC[C@H](c2ccc(NC(=O)OC(C)(C)C)cc2)C1 ZINC000616610654 348844426 /nfs/dbraw/zinc/84/44/26/348844426.db2.gz RHXCJELXZSYOSU-ZDUSSCGKSA-N 1 0 276.380 3.453 10 0 CGAERO C[N@@H+]1CC[C@H](c2ccccc2NC(=O)OC(C)(C)C)C1 ZINC000616610208 348844823 /nfs/dbraw/zinc/84/48/23/348844823.db2.gz KTEGZCUYKDEIQA-LBPRGKRZSA-N 1 0 276.380 3.453 10 0 CGAERO CC[N@@H+]1CCC[C@H](c2cnnc3ccccc32)CC1 ZINC000616627606 348850668 /nfs/dbraw/zinc/85/06/68/348850668.db2.gz IMMKRBGGZTWBLC-ZDUSSCGKSA-N 1 0 255.365 3.219 10 0 CGAERO CC(C)[N@@H+]1CCCC[C@H](c2ccccc2CCO)C1 ZINC000616627244 348850757 /nfs/dbraw/zinc/85/07/57/348850757.db2.gz DQHQFWBFBNCBGT-INIZCTEOSA-N 1 0 261.409 3.199 10 0 CGAERO Nc1cc([C@H]2CCC[N@H+](Cc3ccccc3)CC2)ccn1 ZINC000616627879 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369907919 /nfs/dbraw/zinc/90/79/19/369907919.db2.gz MZYQPUDTBRVFCW-UHFFFAOYSA-N 1 0 251.333 3.284 10 0 CGAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000073716791 369864143 /nfs/dbraw/zinc/86/41/43/369864143.db2.gz VXZMHWRQJSKXQV-WDEREUQCSA-N 1 0 298.377 3.309 10 0 CGAERO C[C@@H](N[C@@H](C)c1ccccc1Br)[C@@H]1CC[NH2+]C1 ZINC000400799337 296151337 /nfs/dbraw/zinc/15/13/37/296151337.db2.gz UDIMHBQIGNHDPB-GRYCIOLGSA-N 1 0 297.240 3.098 10 0 CGAERO CCN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000242463423 284193190 /nfs/dbraw/zinc/19/31/90/284193190.db2.gz DAWVFBKGWMXLKJ-CHWSQXEVSA-N 1 0 270.417 3.116 10 0 CGAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CC1CCCCC1 ZINC000083704546 370008925 /nfs/dbraw/zinc/00/89/25/370008925.db2.gz USQWUJGJMCQEKT-GDBMZVCRSA-N 1 0 250.430 3.125 10 0 CGAERO CCn1nc(C)c([C@@H](C)[NH2+]CC2(O)CCCCCC2)c1C ZINC000087089115 370026368 /nfs/dbraw/zinc/02/63/68/370026368.db2.gz AUSZOZWBRDHOCC-CYBMUJFWSA-N 1 0 293.455 3.256 10 0 CGAERO c1cc2c(cccc2C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)[nH]1 ZINC000091979416 370083575 /nfs/dbraw/zinc/08/35/75/370083575.db2.gz KKDVBLRUHNQHEZ-IRXDYDNUSA-N 1 0 270.376 3.311 10 0 CGAERO Cn1cccc1C[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000093607996 370146729 /nfs/dbraw/zinc/14/67/29/370146729.db2.gz PYIPJLVVTSSGFX-UHFFFAOYSA-N 1 0 287.382 3.241 10 0 CGAERO [NH3+]Cc1ccc(C(=O)Cc2ccc(Cl)cc2)cc1 ZINC000098180729 370269308 /nfs/dbraw/zinc/26/93/08/370269308.db2.gz WELAFVQVEVDYOS-UHFFFAOYSA-N 1 0 259.736 3.224 10 0 CGAERO CCCc1nn(C2CC[NH+](C)CC2)c(N)c1-c1ccccc1 ZINC000098180637 370269365 /nfs/dbraw/zinc/26/93/65/370269365.db2.gz JSHLENIWFKBAFY-UHFFFAOYSA-N 1 0 298.434 3.352 10 0 CGAERO C[C@@H]([NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)C(=O)NC(C)(C)C ZINC000222878656 296157591 /nfs/dbraw/zinc/15/75/91/296157591.db2.gz NXGUIQNXUIUOAW-JHJVBQTASA-N 1 0 268.445 3.094 10 0 CGAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc2ccccc21 ZINC000113229432 370469081 /nfs/dbraw/zinc/46/90/81/370469081.db2.gz SVRQEIXOLYOZRQ-GOEBONIOSA-N 1 0 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CC(C)[C@H]1CN(c2cc(F)ccc2Cl)[C@@H](C)C[NH2+]1 ZINC000083518072 135026701 /nfs/dbraw/zinc/02/67/01/135026701.db2.gz AKCHIKHAJZFWBJ-GXFFZTMASA-N 1 0 270.779 3.302 10 0 CGAERO CC(C)[C@H]1CN(c2cccc(Cl)c2Cl)CC[NH2+]1 ZINC000083536391 135027165 /nfs/dbraw/zinc/02/71/65/135027165.db2.gz UFWQSKMULXWGEB-LLVKDONJSA-N 1 0 273.207 3.428 10 0 CGAERO CC[C@H]1C[NH2+][C@@H](C)CN1c1ccccc1C(F)(F)F ZINC000083535428 135027203 /nfs/dbraw/zinc/02/72/03/135027203.db2.gz MZHAHQYFUOHEJX-QWRGUYRKSA-N 1 0 272.314 3.282 10 0 CGAERO CC(C)[C@@H]1C[NH2+]CCN1c1ccc(Cl)cc1Cl ZINC000083536534 135027598 /nfs/dbraw/zinc/02/75/98/135027598.db2.gz IWRXBDPQSIAGTL-ZDUSSCGKSA-N 1 0 273.207 3.428 10 0 CGAERO C[C@H]1CN(c2ccc(C(F)(F)F)cc2Cl)CC[NH2+]1 ZINC000083587602 135030424 /nfs/dbraw/zinc/03/04/24/135030424.db2.gz GDGLPXKXDACPLV-QMMMGPOBSA-N 1 0 278.705 3.157 10 0 CGAERO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000668280151 543001296 /nfs/dbraw/zinc/00/12/96/543001296.db2.gz PWFUQUVZHMRLJH-FVCCEPFGSA-N 1 0 277.330 3.265 10 0 CGAERO Cc1ccc(-c2ccc(Br)cc2)c(C[NH3+])n1 ZINC000669372260 543103273 /nfs/dbraw/zinc/10/32/73/543103273.db2.gz LKQQGROSJDTCHJ-UHFFFAOYSA-N 1 0 277.165 3.278 10 0 CGAERO COc1cc(Cl)c(C)cc1NC(=O)C1CCC([NH3+])CC1 ZINC000037622817 397608410 /nfs/dbraw/zinc/60/84/10/397608410.db2.gz GGHLZMLWXXMZCX-UHFFFAOYSA-N 1 0 296.798 3.113 10 0 CGAERO [NH3+]C1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000037623016 397608442 /nfs/dbraw/zinc/60/84/42/397608442.db2.gz PFFHJBHAVQAWFC-UHFFFAOYSA-N 1 0 287.190 3.449 10 0 CGAERO [NH3+]C1CCC(c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000037562302 397608455 /nfs/dbraw/zinc/60/84/55/397608455.db2.gz OSAUOKQKPYVRMK-UHFFFAOYSA-N 1 0 277.755 3.375 10 0 CGAERO CCCOc1ccc(NC(=O)[C@H]([NH3+])CC(C)C)cc1Cl ZINC000037768633 397608490 /nfs/dbraw/zinc/60/84/90/397608490.db2.gz QRWCWGWOHMZKJE-CYBMUJFWSA-N 1 0 298.814 3.441 10 0 CGAERO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000044135592 397618154 /nfs/dbraw/zinc/61/81/54/397618154.db2.gz PMKFHKVDGNCTBC-IHRRRGAJSA-N 1 0 282.428 3.151 10 0 CGAERO Cc1cc([C@H]([NH3+])c2coc(Br)c2)cs1 ZINC000306675472 397678769 /nfs/dbraw/zinc/67/87/69/397678769.db2.gz SQQYKZSGTBUIOA-SNVBAGLBSA-N 1 0 272.167 3.460 10 0 CGAERO COc1ncc(C[NH2+][C@@H](C)c2ccc(C)c(F)c2)s1 ZINC000389168508 397691427 /nfs/dbraw/zinc/69/14/27/397691427.db2.gz GHGMQMATLXYUCQ-JTQLQIEISA-N 1 0 280.368 3.450 10 0 CGAERO C[C@H](COCc1ccccc1)[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000390538537 397692304 /nfs/dbraw/zinc/69/23/04/397692304.db2.gz PXOPLBUBJYFJRW-IPYPFGDCSA-N 1 0 265.422 3.075 10 0 CGAERO C[C@@H](COCc1ccccc1)[NH2+]Cc1cccc(F)c1N ZINC000390770213 397692374 /nfs/dbraw/zinc/69/23/74/397692374.db2.gz VKXRUAHJDFMGKU-ZDUSSCGKSA-N 1 0 288.366 3.103 10 0 CGAERO Cc1cc(Cl)cc(C[NH2+][C@H]2CCC[C@@H](O)C2)c1 ZINC000395072263 397696327 /nfs/dbraw/zinc/69/63/27/397696327.db2.gz KUFMIPWGFYSGCS-UONOGXRCSA-N 1 0 253.773 3.042 10 0 CGAERO [NH3+]Cc1c(-c2ccccc2Cl)nc2ccc(F)cn21 ZINC000675076046 543313521 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CC(C)[C@@H](C)C[NH2+][C@@H]1CCN(CCc2ccccc2)C1 ZINC000081046581 287070107 /nfs/dbraw/zinc/07/01/07/287070107.db2.gz YWXULKYAYQCTRA-FUHWJXTLSA-N 1 0 274.452 3.185 10 0 CGAERO CC[C@H]1CCC[C@@H]([NH2+]C2CCN(c3ncccn3)CC2)C1 ZINC000071108525 165068072 /nfs/dbraw/zinc/06/80/72/165068072.db2.gz MZLFXYBRDJOMFW-GOEBONIOSA-N 1 0 288.439 3.004 10 0 CGAERO [NH3+]Cc1cccc(-c2nc(-c3cccnc3)cs2)c1 ZINC000088832166 165196003 /nfs/dbraw/zinc/19/60/03/165196003.db2.gz YHVFAPNHOVBFSL-UHFFFAOYSA-N 1 0 267.357 3.331 10 0 CGAERO CC(C)[C@H](C)[NH2+]CCCc1nc2ccccc2n1C ZINC000090050869 165223389 /nfs/dbraw/zinc/22/33/89/165223389.db2.gz MTHMWECQUAFXLW-ZDUSSCGKSA-N 1 0 259.397 3.140 10 0 CGAERO CCn1cccc1C[NH2+][C@H](C)c1cc(OC)ccc1OC ZINC000091024476 165249329 /nfs/dbraw/zinc/24/93/29/165249329.db2.gz CNNCYFYAOMMHJH-CYBMUJFWSA-N 1 0 288.391 3.376 10 0 CGAERO CCn1cccc1C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000091023988 165251734 /nfs/dbraw/zinc/25/17/34/165251734.db2.gz HJLWSCWLSNCZIS-GFCCVEGCSA-N 1 0 272.348 3.088 10 0 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CCN(C(=O)C[C@H]1CCCC[C@H]1[NH3+])c1ccc(C)cc1 ZINC000261816189 165835809 /nfs/dbraw/zinc/83/58/09/165835809.db2.gz SUQKNCJRIHBRPN-GDBMZVCRSA-N 1 0 274.408 3.256 10 0 CGAERO CCCC[C@@H](CC)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000121968083 287205134 /nfs/dbraw/zinc/20/51/34/287205134.db2.gz GXBKJGOEZDYZFS-HIFRSBDPSA-N 1 0 268.445 3.227 10 0 CGAERO CCCCOc1c(Br)cc(C[NH3+])cc1OC ZINC000004227565 169945849 /nfs/dbraw/zinc/94/58/49/169945849.db2.gz CFQYKAKCFMQBOP-UHFFFAOYSA-N 1 0 288.185 3.095 10 0 CGAERO CCCC[NH+](CCCC)CCCNCc1cccnc1 ZINC000013733392 170583735 /nfs/dbraw/zinc/58/37/35/170583735.db2.gz DNJOMBRMQFUNOT-UHFFFAOYSA-N 1 0 277.456 3.464 10 0 CGAERO NC(=[NH2+])c1cccc(OCc2ccc(Cl)s2)c1 ZINC000019474097 170806559 /nfs/dbraw/zinc/80/65/59/170806559.db2.gz LKIJPYDGRBZQSK-UHFFFAOYSA-N 1 0 266.753 3.265 10 0 CGAERO Cc1ccc(OCc2cccc(C(N)=[NH2+])c2)cc1C ZINC000019503460 170815598 /nfs/dbraw/zinc/81/55/98/170815598.db2.gz SXQABDFUIBPMPS-UHFFFAOYSA-N 1 0 254.333 3.167 10 0 CGAERO [NH3+]C[C@@H](Oc1ccc2ncccc2c1)c1ccccc1 ZINC000019670887 170835584 /nfs/dbraw/zinc/83/55/84/170835584.db2.gz XZYDMWNPFQRCLR-QGZVFWFLSA-N 1 0 264.328 3.314 10 0 CGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1cc(C(N)=[NH2+])ccn1 ZINC000019808582 170877469 /nfs/dbraw/zinc/87/74/69/170877469.db2.gz JIYPIYDQDSLONJ-XBFCOCLRSA-N 1 0 275.396 3.205 10 0 CGAERO CCC[NH+]1CCC(Nc2cc(F)ccc2F)CC1 ZINC000019907777 170919616 /nfs/dbraw/zinc/91/96/16/170919616.db2.gz LQTPTNIRKJNGPV-UHFFFAOYSA-N 1 0 254.324 3.251 10 0 CGAERO COCCc1ccc([C@H]([NH3+])c2ccc3c(c2)CCC3)cc1 ZINC000019970920 170954548 /nfs/dbraw/zinc/95/45/48/170954548.db2.gz BPQUIKQOSKONHN-IBGZPJMESA-N 1 0 281.399 3.412 10 0 CGAERO C[C@H]1C[C@H]1c1ccc(C[NH2+]CCCOC[C@@H]2CCCO2)o1 ZINC000020146607 171033125 /nfs/dbraw/zinc/03/31/25/171033125.db2.gz CAKLQPAIHVOFBV-CWRNSKLLSA-N 1 0 293.407 3.078 10 0 CGAERO CC(C)COCCC[NH2+][C@H]1CCOc2ccccc21 ZINC000020147335 171033806 /nfs/dbraw/zinc/03/38/06/171033806.db2.gz IWKRMPMHKHZWFQ-HNNXBMFYSA-N 1 0 263.381 3.163 10 0 CGAERO C[C@H]1CCC[C@@H]([NH2+]CCCOCc2ccco2)C1 ZINC000020146979 171033915 /nfs/dbraw/zinc/03/39/15/171033915.db2.gz GLSGYOYIKCNXLM-UONOGXRCSA-N 1 0 251.370 3.355 10 0 CGAERO CCN(Cc1ccccc1)[C@@H](C[NH3+])c1ccccc1 ZINC000020225358 171088609 /nfs/dbraw/zinc/08/86/09/171088609.db2.gz XTDDJDBVWZTSQN-KRWDZBQOSA-N 1 0 254.377 3.209 10 0 CGAERO CCCOc1ccc([C@H](C[NH3+])N(C)CC(C)(C)C)cc1 ZINC000020226557 171091326 /nfs/dbraw/zinc/09/13/26/171091326.db2.gz TYCOQSZFCIFVGB-INIZCTEOSA-N 1 0 278.440 3.453 10 0 CGAERO CCCN(C)[C@H](C[NH3+])c1c(Cl)cccc1Cl ZINC000020226713 171091559 /nfs/dbraw/zinc/09/15/59/171091559.db2.gz ZRCKWCARGYDMIA-LLVKDONJSA-N 1 0 261.196 3.335 10 0 CGAERO CCOC[C@H]([NH3+])c1ccc2c(c1)Cc1ccccc1-2 ZINC000020262418 171119851 /nfs/dbraw/zinc/11/98/51/171119851.db2.gz DTEDIKFVMDBACH-KRWDZBQOSA-N 1 0 253.345 3.294 10 0 CGAERO Cc1ccc(O[C@H]2CCc3ccccc3[C@H]2[NH3+])cc1 ZINC000020262733 171121092 /nfs/dbraw/zinc/12/10/92/171121092.db2.gz RARVJSLUFPDKCW-DLBZAZTESA-N 1 0 253.345 3.389 10 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CGAERO CC(C)Oc1ccc([C@@H]([NH3+])COC(C)(C)C)cc1 ZINC000020510896 171230734 /nfs/dbraw/zinc/23/07/34/171230734.db2.gz VJUQGFVZNWYIDH-AWEZNQCLSA-N 1 0 251.370 3.289 10 0 CGAERO CCCCC[C@@H](C[NH3+])N1CCc2sccc2C1 ZINC000020520567 171233875 /nfs/dbraw/zinc/23/38/75/171233875.db2.gz JMLSUBSJFZXXGZ-ZDUSSCGKSA-N 1 0 252.427 3.014 10 0 CGAERO C[N@H+]1[C@@H]2CC[C@H]1CC(Nc1cccc(Br)c1)C2 ZINC000020523905 171237003 /nfs/dbraw/zinc/23/70/03/171237003.db2.gz ZJQHKYFJVDXWAM-AGUYFDCRSA-N 1 0 295.224 3.486 10 0 CGAERO COCCC[NH2+][C@H](C)c1ccc(OC(C)C)c(F)c1 ZINC000020549957 171246772 /nfs/dbraw/zinc/24/67/72/171246772.db2.gz SWFFYMPTXFLIGJ-GFCCVEGCSA-N 1 0 269.360 3.300 10 0 CGAERO CCCOc1ccc(C[NH2+]C2CC2)cc1Br ZINC000020926029 171280590 /nfs/dbraw/zinc/28/05/90/171280590.db2.gz GUYWVPYOPAUWCX-UHFFFAOYSA-N 1 0 284.197 3.490 10 0 CGAERO [NH3+]CC1(N2CCc3ccccc32)CCCCCCC1 ZINC000021009811 171286310 /nfs/dbraw/zinc/28/63/10/171286310.db2.gz UMAJYMCQXMRJLX-UHFFFAOYSA-N 1 0 258.409 3.491 10 0 CGAERO C[C@@H]1CCC[C@](C[NH3+])(N2CCCc3ccccc32)C1 ZINC000021506863 171308220 /nfs/dbraw/zinc/30/82/20/171308220.db2.gz OYHXBVOEYQZYIV-PBHICJAKSA-N 1 0 258.409 3.347 10 0 CGAERO Cc1cccc(NC(=O)Nc2ccc(C[NH3+])cc2)c1 ZINC000021967953 171344056 /nfs/dbraw/zinc/34/40/56/171344056.db2.gz TYZQWKNBLVPXMO-UHFFFAOYSA-N 1 0 255.321 3.098 10 0 CGAERO Cc1c(N)cccc1NC(=O)CCC[NH+]1CCCCCC1 ZINC000022156171 171362418 /nfs/dbraw/zinc/36/24/18/171362418.db2.gz UXWOQGDIYALSOI-UHFFFAOYSA-N 1 0 289.423 3.172 10 0 CGAERO C[C@H]1CCC[C@H](C)[NH+]1CCCC(=O)Nc1ccccc1N ZINC000022166696 171366118 /nfs/dbraw/zinc/36/61/18/171366118.db2.gz PSKYDYUUYHBLRZ-KBPBESRZSA-N 1 0 289.423 3.250 10 0 CGAERO Cc1ccsc1[C@H](CN)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000022170334 171367802 /nfs/dbraw/zinc/36/78/02/171367802.db2.gz HIDAEQAKGHEAGL-WZRBSPASSA-N 1 0 252.427 3.034 10 0 CGAERO CC[N@H+](CC(=O)Nc1ccc(F)c(N)c1)C1CCCCC1 ZINC000022175964 171370377 /nfs/dbraw/zinc/37/03/77/171370377.db2.gz TVLWJJBSULOAHX-UHFFFAOYSA-N 1 0 293.386 3.001 10 0 CGAERO Cc1c(N)cccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000022224203 171380049 /nfs/dbraw/zinc/38/00/49/171380049.db2.gz SCYGYZHLDRAUEQ-CQSZACIVSA-N 1 0 297.402 3.036 10 0 CGAERO Cc1ccc([C@@H]([NH3+])CN2CCc3ccccc3C2)c(C)c1 ZINC000022565958 171391923 /nfs/dbraw/zinc/39/19/23/171391923.db2.gz NBJYEJLBTBROGX-IBGZPJMESA-N 1 0 280.415 3.362 10 0 CGAERO CCc1ccc(O[C@H]2Cc3ccccc3[C@@H]2[NH3+])cc1 ZINC000023066688 171407883 /nfs/dbraw/zinc/40/78/83/171407883.db2.gz VDQJFIYIGSVLGD-IRXDYDNUSA-N 1 0 253.345 3.253 10 0 CGAERO N[C@H]1c2ccccc2CCC[C@@H]1[NH+]1CCCCCC1 ZINC000023066672 171408211 /nfs/dbraw/zinc/40/82/11/171408211.db2.gz GHTZBVYZPDEUIT-IRXDYDNUSA-N 1 0 258.409 3.267 10 0 CGAERO COc1ccc([C@@H]([NH3+])[C@@H](C)Oc2ccccc2OC)cc1 ZINC000023067285 171408389 /nfs/dbraw/zinc/40/83/89/171408389.db2.gz VEKUNWWYWLDNPX-PXAZEXFGSA-N 1 0 287.359 3.171 10 0 CGAERO O=C1CCCC[C@@H]1[NH+]1CCC(c2ccccc2)CC1 ZINC000028232412 171552406 /nfs/dbraw/zinc/55/24/06/171552406.db2.gz SQDKWKLTYJHORV-INIZCTEOSA-N 1 0 257.377 3.378 10 0 CGAERO COc1ccc([C@H](C[NH3+])Sc2ccccc2)cc1 ZINC000034436927 171840126 /nfs/dbraw/zinc/84/01/26/171840126.db2.gz OQCQIDKKMQLPCN-HNNXBMFYSA-N 1 0 259.374 3.487 10 0 CGAERO CCCNC(=O)C[NH2+]C1CCC(C(C)(C)CC)CC1 ZINC000035135784 172002700 /nfs/dbraw/zinc/00/27/00/172002700.db2.gz KGMJWJQWQQZNTF-UHFFFAOYSA-N 1 0 268.445 3.097 10 0 CGAERO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCCCC1)c1cccs1 ZINC000035139693 172008228 /nfs/dbraw/zinc/00/82/28/172008228.db2.gz OPZJLHXRQGVMGN-OLZOCXBDSA-N 1 0 280.437 3.190 10 0 CGAERO CCCC[NH2+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000035159830 172018070 /nfs/dbraw/zinc/01/80/70/172018070.db2.gz CXUNKPOOVFNBHP-UHFFFAOYSA-N 1 0 275.179 3.322 10 0 CGAERO CCN(CC)C(=O)[C@H](C)[NH2+][C@@H](c1ccc(C)cc1)C1CC1 ZINC000035224721 172069736 /nfs/dbraw/zinc/06/97/36/172069736.db2.gz SODORVLIKROVNI-YOEHRIQHSA-N 1 0 288.435 3.293 10 0 CGAERO COc1ccc(Br)cc1[C@H]([NH3+])c1ccoc1 ZINC000035381699 172164648 /nfs/dbraw/zinc/16/46/48/172164648.db2.gz DDFAZELPIFNADX-GFCCVEGCSA-N 1 0 282.137 3.099 10 0 CGAERO COc1ccc([C@@H]([NH3+])c2ccoc2C)cc1Br ZINC000035381668 172164838 /nfs/dbraw/zinc/16/48/38/172164838.db2.gz VVNPYWRRUKRTGB-CYBMUJFWSA-N 1 0 296.164 3.407 10 0 CGAERO C[C@H]([NH3+])c1ccc2ccccc2c1OC[C@@H]1CCCO1 ZINC000035427312 172194367 /nfs/dbraw/zinc/19/43/67/172194367.db2.gz FIOSOWNAABKTSC-JSGCOSHPSA-N 1 0 271.360 3.417 10 0 CGAERO C[NH2+][C@@H](c1ccc(C)s1)c1ccc(OC)c(OC)c1 ZINC000035459243 172208385 /nfs/dbraw/zinc/20/83/85/172208385.db2.gz CVQHXUBEBXLQJI-OAHLLOKOSA-N 1 0 277.389 3.383 10 0 CGAERO CCC[C@H](C)[C@H]([NH2+]C)c1ccc(OC)c(OC)c1 ZINC000035463266 172210504 /nfs/dbraw/zinc/21/05/04/172210504.db2.gz XNVVWTVEPCACCA-NHYWBVRUSA-N 1 0 251.370 3.401 10 0 CGAERO C[NH2+][C@@H](c1ccc2c(c1)CCO2)c1ccccc1F ZINC000035467892 172216479 /nfs/dbraw/zinc/21/64/79/172216479.db2.gz NQIXQGODGUFWQW-INIZCTEOSA-N 1 0 257.308 3.069 10 0 CGAERO CCC[C@@H](C)[C@H]([NH2+]C)c1ccc(OC)cc1OC ZINC000035488816 172223993 /nfs/dbraw/zinc/22/39/93/172223993.db2.gz GPTKLFDPESUGMF-ABAIWWIYSA-N 1 0 251.370 3.401 10 0 CGAERO CCC[C@H](C)[C@H]([NH2+]C)c1ccc(OC)cc1OC ZINC000035488818 172224088 /nfs/dbraw/zinc/22/40/88/172224088.db2.gz GPTKLFDPESUGMF-NHYWBVRUSA-N 1 0 251.370 3.401 10 0 CGAERO C[NH2+][C@@H](Cc1ncc[nH]1)c1c(Cl)cccc1Cl ZINC000035504279 172238327 /nfs/dbraw/zinc/23/83/27/172238327.db2.gz LPQVPZDTEWUOPT-JTQLQIEISA-N 1 0 270.163 3.220 10 0 CGAERO Cc1cc(C)c(Cn2ccnc2C[NH2+]C2CC2)c(C)c1 ZINC000035518026 172242908 /nfs/dbraw/zinc/24/29/08/172242908.db2.gz YBGUBKLDALAKKQ-UHFFFAOYSA-N 1 0 269.392 3.109 10 0 CGAERO CCC[C@H](C)[C@H]([NH2+]CC)c1ccc2c(c1)CC(=O)N2 ZINC000035549987 172257443 /nfs/dbraw/zinc/25/74/43/172257443.db2.gz VQSMSVQEUIEGBW-ZBEGNZNMSA-N 1 0 260.381 3.268 10 0 CGAERO CC[NH2+][C@H](CC)c1cc2c(cc1Cl)OCCO2 ZINC000035557724 172263154 /nfs/dbraw/zinc/26/31/54/172263154.db2.gz LLYSTGNRAHJLPE-LLVKDONJSA-N 1 0 255.745 3.172 10 0 CGAERO CC[NH2+][C@H](c1cc2c(cc1Cl)NC(=O)C2)[C@@H]1C[C@@H]1C ZINC000035572018 172267918 /nfs/dbraw/zinc/26/79/18/172267918.db2.gz DDWDZNTYEBGILV-FLBPPNCPSA-N 1 0 278.783 3.141 10 0 CGAERO CC[NH2+][C@H](c1ccoc1C)c1ccc(OC)c(F)c1 ZINC000035572076 172268484 /nfs/dbraw/zinc/26/84/84/172268484.db2.gz FWOJPNHXYRZZSN-HNNXBMFYSA-N 1 0 263.312 3.435 10 0 CGAERO [NH3+][C@@H](Cc1nc2ccccc2[nH]1)c1ccccc1Cl ZINC000035576266 172272678 /nfs/dbraw/zinc/27/26/78/172272678.db2.gz DKBJRHSVOUANKT-LBPRGKRZSA-N 1 0 271.751 3.459 10 0 CGAERO CCC[NH2+][C@@H](c1ccc(OC)c(F)c1)[C@@H]1CCCO1 ZINC000035598542 172288075 /nfs/dbraw/zinc/28/80/75/172288075.db2.gz PQYUUDKMHAJQML-GJZGRUSLSA-N 1 0 267.344 3.054 10 0 CGAERO C[NH2+][C@H](C)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000035634863 172319351 /nfs/dbraw/zinc/31/93/51/172319351.db2.gz FPLFBBUPNXVYLV-GFCCVEGCSA-N 1 0 254.333 3.219 10 0 CGAERO C[C@@H]([NH2+]CCc1ccco1)c1c(F)cccc1F ZINC000035661722 172339396 /nfs/dbraw/zinc/33/93/96/172339396.db2.gz PMZAMKYLKVFSHR-SNVBAGLBSA-N 1 0 251.276 3.451 10 0 CGAERO Cc1ccc(CN(C)[C@@H](C[NH3+])c2ccc(C)s2)o1 ZINC000035699484 172368138 /nfs/dbraw/zinc/36/81/38/172368138.db2.gz IGYFAROUFLRAIF-ZDUSSCGKSA-N 1 0 264.394 3.090 10 0 CGAERO Cc1ccsc1[C@@H](C[NH3+])N(C)Cc1ccsc1 ZINC000035718847 172372823 /nfs/dbraw/zinc/37/28/23/172372823.db2.gz QWOLEDWXRXRUSC-GFCCVEGCSA-N 1 0 266.435 3.250 10 0 CGAERO Cc1ccccc1[C@H](C[NH3+])N(C)Cc1ccsc1 ZINC000035718845 172373378 /nfs/dbraw/zinc/37/33/78/172373378.db2.gz PETBNKTWSXDCFE-HNNXBMFYSA-N 1 0 260.406 3.188 10 0 CGAERO [NH3+]Cc1ccnc(Sc2ccc(Br)cc2)c1 ZINC000035719900 172374691 /nfs/dbraw/zinc/37/46/91/172374691.db2.gz WZFKPBYVWPKTJZ-UHFFFAOYSA-N 1 0 295.205 3.454 10 0 CGAERO [NH3+]Cc1cc(C(F)(F)F)ccc1Sc1nncs1 ZINC000035720222 172374956 /nfs/dbraw/zinc/37/49/56/172374956.db2.gz AWZLUXMFBCQEDA-UHFFFAOYSA-N 1 0 291.323 3.167 10 0 CGAERO Cc1csc(S[C@H]2CCCCC[C@H]2C[NH3+])n1 ZINC000035724661 172380284 /nfs/dbraw/zinc/38/02/84/172380284.db2.gz GDZYRSZEPJHTHW-QWRGUYRKSA-N 1 0 256.440 3.451 10 0 CGAERO C[C@H]1C[C@@H]([NH3+])c2cc(Br)ccc2S1 ZINC000035752002 172396546 /nfs/dbraw/zinc/39/65/46/172396546.db2.gz QSNJETSRWNWZHC-IMTBSYHQSA-N 1 0 258.184 3.333 10 0 CGAERO C[C@@H]([NH3+])c1nc2cc(Br)ccc2s1 ZINC000037205895 173027477 /nfs/dbraw/zinc/02/74/77/173027477.db2.gz MHKSWFGMWCFFKL-RXMQYKEDSA-N 1 0 257.156 3.079 10 0 CGAERO C[C@@H](Nc1cc(F)cc(F)c1)[C@H]1CCC[N@H+](C)C1 ZINC000037210277 173032609 /nfs/dbraw/zinc/03/26/09/173032609.db2.gz RZNRCJWBISHHGN-MNOVXSKESA-N 1 0 254.324 3.107 10 0 CGAERO C[C@H]([NH2+]Cc1ccc(CSC(F)F)o1)[C@@H]1CCCO1 ZINC000037242389 173058631 /nfs/dbraw/zinc/05/86/31/173058631.db2.gz DWLAYBNDEBJEBY-CABZTGNLSA-N 1 0 291.363 3.393 10 0 CGAERO COC(=O)CC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000037300742 173106675 /nfs/dbraw/zinc/10/66/75/173106675.db2.gz PSWYQSGYPHSHKU-GFCCVEGCSA-N 1 0 257.333 3.054 10 0 CGAERO O[C@@H](c1ccc(-c2ccccc2)cc1)[C@H]1CCC[NH2+]C1 ZINC000037327939 173128601 /nfs/dbraw/zinc/12/86/01/173128601.db2.gz UZDOUDBZWJAUPI-ROUUACIJSA-N 1 0 267.372 3.387 10 0 CGAERO CCC[N@H+](CC(=O)c1ccc(C)cc1OC)C(C)C ZINC000037335124 173135402 /nfs/dbraw/zinc/13/54/02/173135402.db2.gz VRSIWZMWVBQMCZ-UHFFFAOYSA-N 1 0 263.381 3.307 10 0 CGAERO CC(C)[NH2+]CCc1nc2c(cccc2F)n1C(C)C ZINC000037600063 173554057 /nfs/dbraw/zinc/55/40/57/173554057.db2.gz ROYJJQZMLKGPCO-UHFFFAOYSA-N 1 0 263.360 3.297 10 0 CGAERO [NH3+]CCc1ccccc1OCc1ccccc1Cl ZINC000037720485 173638739 /nfs/dbraw/zinc/63/87/39/173638739.db2.gz CQOFTTSXSWCMGD-UHFFFAOYSA-N 1 0 261.752 3.420 10 0 CGAERO COc1cc(C[C@@H](C)[NH3+])cc(Cl)c1OCC1CC1 ZINC000037723057 173641395 /nfs/dbraw/zinc/64/13/95/173641395.db2.gz IQJJTDRUWRJZBU-SECBINFHSA-N 1 0 269.772 3.027 10 0 CGAERO C[C@H](Nc1ccc(Cl)cn1)c1ccc(C[NH3+])cc1 ZINC000037748099 173670086 /nfs/dbraw/zinc/67/00/86/173670086.db2.gz UNXDBFKYVSILOZ-JTQLQIEISA-N 1 0 261.756 3.367 10 0 CGAERO CC(C)(C)c1ccc(C[NH2+][C@H]2CCCC[C@H]2O)s1 ZINC000127270191 287284287 /nfs/dbraw/zinc/28/42/87/287284287.db2.gz FSWFQIIQQPMHNZ-QWHCGFSZSA-N 1 0 267.438 3.439 10 0 CGAERO CCCCCC[C@@H](C)[NH2+]CCC(=O)N[C@@H](C)CC ZINC000038013465 173983478 /nfs/dbraw/zinc/98/34/78/173983478.db2.gz OEDLMVPEDQWNIR-UONOGXRCSA-N 1 0 256.434 3.240 10 0 CGAERO C[C@H](c1cccs1)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032466 174029237 /nfs/dbraw/zinc/02/92/37/174029237.db2.gz HRMNWTWVMPNJJQ-LLVKDONJSA-N 1 0 258.390 3.450 10 0 CGAERO Cc1ccc([C@@H]([NH3+])c2ccc3c(c2)CCCO3)cc1 ZINC000038057697 174068371 /nfs/dbraw/zinc/06/83/71/174068371.db2.gz ARFLZCBSUFPPJA-QGZVFWFLSA-N 1 0 253.345 3.368 10 0 CGAERO CC[C@H](C)[NH2+][C@@](C)(C(N)=O)c1ccc(Cl)c(Cl)c1 ZINC000038065739 174077182 /nfs/dbraw/zinc/07/71/82/174077182.db2.gz YABCSGYCPCQXFR-ISVAXAHUSA-N 1 0 289.206 3.082 10 0 CGAERO C[C@H]1Cc2cc(-c3cc(C[NH3+])ccc3F)ccc2O1 ZINC000038073553 174084080 /nfs/dbraw/zinc/08/40/80/174084080.db2.gz YMEAXTYIQWQQBX-JTQLQIEISA-N 1 0 257.308 3.275 10 0 CGAERO Cc1cc(C)c([C@H](C)[NH2+]CC[C@H]2CCCO2)c(C)n1 ZINC000038096402 174110371 /nfs/dbraw/zinc/11/03/71/174110371.db2.gz KXPQVTZCTJLNBG-DZGCQCFKSA-N 1 0 262.397 3.227 10 0 CGAERO CC[NH+]1CCC(N[C@@H]2CSCc3ccccc32)CC1 ZINC000038098211 174113753 /nfs/dbraw/zinc/11/37/53/174113753.db2.gz COOLYSXRDKAWMS-MRXNPFEDSA-N 1 0 276.449 3.048 10 0 CGAERO C[C@@H](CC(=O)NCC[NH2+]C1CCCCCC1)C(C)(C)C ZINC000127473546 287288931 /nfs/dbraw/zinc/28/89/31/287288931.db2.gz UHXIOGTUDCEZMQ-AWEZNQCLSA-N 1 0 282.472 3.487 10 0 CGAERO C[C@H]([NH3+])c1ccccc1N(CC(F)(F)F)C1CC1 ZINC000042769458 174870681 /nfs/dbraw/zinc/87/06/81/174870681.db2.gz WLUCBPJFJQYQGO-VIFPVBQESA-N 1 0 258.287 3.237 10 0 CGAERO Cc1nn([C@H](c2cccc(C)c2)[C@H](C)[NH3+])c(C)c1C ZINC000042967844 174931787 /nfs/dbraw/zinc/93/17/87/174931787.db2.gz CRNCFKZTUHUMOU-LRDDRELGSA-N 1 0 257.381 3.053 10 0 CGAERO CCC(C)(C)O[C@@H](c1cccc(OC)c1)[C@H](C)[NH3+] ZINC000043030676 174948692 /nfs/dbraw/zinc/94/86/92/174948692.db2.gz WDESLGYPWZGPSQ-SMDDNHRTSA-N 1 0 251.370 3.289 10 0 CGAERO CC[C@H]([NH3+])[C@@H](OC(C)(C)C)c1ccccc1OC ZINC000043099885 174967099 /nfs/dbraw/zinc/96/70/99/174967099.db2.gz TVRKBTNLTKIRKJ-JSGCOSHPSA-N 1 0 251.370 3.289 10 0 CGAERO C[NH2+][C@H](C)[C@H](C)Cc1cc(Br)cs1 ZINC000043688060 175095044 /nfs/dbraw/zinc/09/50/44/175095044.db2.gz STBJVTOCXBBNQW-HTQZYQBOSA-N 1 0 262.216 3.297 10 0 CGAERO [NH3+]CCCc1cc2cc(Br)ccc2o1 ZINC000044282438 175158799 /nfs/dbraw/zinc/15/87/99/175158799.db2.gz BELITTCVEPUSRC-UHFFFAOYSA-N 1 0 254.127 3.087 10 0 CGAERO C[C@H](c1ccc(Cl)s1)N1CCC[C@H](C[NH3+])C1 ZINC000044527999 175192457 /nfs/dbraw/zinc/19/24/57/175192457.db2.gz YMYCGMXEXCTOGV-NXEZZACHSA-N 1 0 258.818 3.133 10 0 CGAERO CN(CC(C)(C)C)[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000045065482 175299718 /nfs/dbraw/zinc/29/97/18/175299718.db2.gz RLKZWIYFSYLNJQ-VIFPVBQESA-N 1 0 260.834 3.379 10 0 CGAERO Cc1nnc(S[C@@H](C[NH2+]C(C)(C)C)C(C)C)s1 ZINC000071137940 176036276 /nfs/dbraw/zinc/03/62/76/176036276.db2.gz XTDXNGVXRMPERY-JTQLQIEISA-N 1 0 273.471 3.351 10 0 CGAERO [NH3+]Cc1cc(F)c(Oc2cc(F)ccc2F)c(F)c1 ZINC000071168124 176049299 /nfs/dbraw/zinc/04/92/99/176049299.db2.gz GBSSLIXSQWBCBM-UHFFFAOYSA-N 1 0 271.213 3.494 10 0 CGAERO C[C@@H](c1cccnc1)N1Cc2ccc(F)cc2C1=[NH2+] ZINC000071268746 176102075 /nfs/dbraw/zinc/10/20/75/176102075.db2.gz USHDGXXVQNWFHA-JTQLQIEISA-N 1 0 255.296 3.123 10 0 CGAERO Cc1cccnc1C[NH2+]Cc1c[nH]c2ccccc12 ZINC000071339932 176129986 /nfs/dbraw/zinc/12/99/86/176129986.db2.gz VHUXPYHODYESIF-UHFFFAOYSA-N 1 0 251.333 3.161 10 0 CGAERO CC(C)(C)c1cc(C(C)(C)C)nc([C@@H]2CCC[NH2+]2)n1 ZINC000071396766 176150171 /nfs/dbraw/zinc/15/01/71/176150171.db2.gz LYQLDBGAVQZBHF-NSHDSACASA-N 1 0 261.413 3.496 10 0 CGAERO [NH3+]Cc1cnoc1-c1ccc(-c2ccccc2)cc1 ZINC000071572152 176198114 /nfs/dbraw/zinc/19/81/14/176198114.db2.gz PLYYBPBEJOWUCC-UHFFFAOYSA-N 1 0 250.301 3.467 10 0 CGAERO CC(C)[NH2+][C@H](C)[C@H](O)c1ccc(OC(C)(C)C)cc1 ZINC000071598014 176221542 /nfs/dbraw/zinc/22/15/42/176221542.db2.gz BTVVVVBZHGBALS-DOMZBBRYSA-N 1 0 265.397 3.284 10 0 CGAERO COc1ccc(C(C)C)cc1[C@@H](O)[C@@H](C)[NH2+]C(C)C ZINC000071597978 176221726 /nfs/dbraw/zinc/22/17/26/176221726.db2.gz OPRRYPROXOLXBL-WBMJQRKESA-N 1 0 265.397 3.239 10 0 CGAERO O[C@H](c1ccc(Oc2ccccc2)cc1)[C@H]1CCC[NH2+]1 ZINC000071600595 176226522 /nfs/dbraw/zinc/22/65/22/176226522.db2.gz DWMMCIGBVZLRDX-IAGOWNOFSA-N 1 0 269.344 3.264 10 0 CGAERO CCOc1cc(C)c([C@@H](O)C[NH2+]C(C)C)cc1Cl ZINC000071611238 176231742 /nfs/dbraw/zinc/23/17/42/176231742.db2.gz OPDCNOQJKRPPCR-ZDUSSCGKSA-N 1 0 271.788 3.079 10 0 CGAERO Cc1cc(C(C)(C)C)cc(C)c1CN1CC[NH2+][C@H](C)C1 ZINC000076436281 177024591 /nfs/dbraw/zinc/02/45/91/177024591.db2.gz LWLQKOKKTVDDHI-OAHLLOKOSA-N 1 0 274.452 3.395 10 0 CGAERO Cc1cc(C(C)(C)C)cc(C)c1CN1CC[NH2+][C@@H](C)C1 ZINC000076436283 177024700 /nfs/dbraw/zinc/02/47/00/177024700.db2.gz LWLQKOKKTVDDHI-HNNXBMFYSA-N 1 0 274.452 3.395 10 0 CGAERO COc1cc(C)c([C@@H](C[NH3+])CC(C)C)c(OC)c1 ZINC000076656044 177045665 /nfs/dbraw/zinc/04/56/65/177045665.db2.gz WYESMDCJJWDOKV-GFCCVEGCSA-N 1 0 251.370 3.101 10 0 CGAERO CN(C[C@@H](CC[NH3+])c1ccccc1)c1ccccc1 ZINC000076658520 177047553 /nfs/dbraw/zinc/04/75/53/177047553.db2.gz CQRGCAWJOSTFHJ-MRXNPFEDSA-N 1 0 254.377 3.255 10 0 CGAERO CCC[C@H](CC[NH3+])C(=O)Nc1cccc(Cl)c1 ZINC000076658776 177047574 /nfs/dbraw/zinc/04/75/74/177047574.db2.gz AYNOXWDIAIXCKC-SNVBAGLBSA-N 1 0 254.761 3.044 10 0 CGAERO C[C@@H](C[NH3+])CCC(=O)Nc1ccccc1C(C)(C)C ZINC000076676099 177056103 /nfs/dbraw/zinc/05/61/03/177056103.db2.gz ZGLVJSJCSGEYJG-GFCCVEGCSA-N 1 0 262.397 3.298 10 0 CGAERO CC[C@H](CCC[NH3+])C(=O)Nc1ccc(F)c(Cl)c1 ZINC000076715614 177069192 /nfs/dbraw/zinc/06/91/92/177069192.db2.gz PWQWJKDOPGJNHA-SECBINFHSA-N 1 0 272.751 3.183 10 0 CGAERO C[C@@H](CCC[NH3+])C(=O)Nc1cc(Cl)ccc1Cl ZINC000076722351 177069858 /nfs/dbraw/zinc/06/98/58/177069858.db2.gz IMVAKWKAJDJAIE-QMMMGPOBSA-N 1 0 275.179 3.307 10 0 CGAERO C[C@@H](C[NH3+])CCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000076722414 177070017 /nfs/dbraw/zinc/07/00/17/177070017.db2.gz USTXUZHMFVTXJS-MRVPVSSYSA-N 1 0 275.179 3.307 10 0 CGAERO Cc1cc(NC(=O)[C@@H](C)CCC[NH3+])ccc1Br ZINC000076870250 177125557 /nfs/dbraw/zinc/12/55/57/177125557.db2.gz KBRLBZJANUKHGY-VIFPVBQESA-N 1 0 299.212 3.071 10 0 CGAERO Cc1ccc(NC(=O)[C@@H](C)CCC[NH3+])cc1Br ZINC000076870231 177125558 /nfs/dbraw/zinc/12/55/58/177125558.db2.gz OGQAWWQFZWMMKH-JTQLQIEISA-N 1 0 299.212 3.071 10 0 CGAERO COc1ccc(Cl)cc1[C@@]1(C[NH3+])CCC[C@@H]1C ZINC000077607320 177283914 /nfs/dbraw/zinc/28/39/14/177283914.db2.gz PCTVQHZPIHWBEE-IINYFYTJSA-N 1 0 253.773 3.365 10 0 CGAERO C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CCC[C@H](O)C1 ZINC000310912961 416532558 /nfs/dbraw/zinc/53/25/58/416532558.db2.gz YOEGCSHUKJPCDG-HIFRSBDPSA-N 1 0 267.800 3.323 10 0 CGAERO Cc1ccc([C@H](C)[NH2+]CCCc2cncn2C)cc1F ZINC000314477863 416537449 /nfs/dbraw/zinc/53/74/49/416537449.db2.gz AYKZJBSEDJQKNE-ZDUSSCGKSA-N 1 0 275.371 3.151 10 0 CGAERO CC(C)OC1CCC([NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)CC1 ZINC000680650204 543722756 /nfs/dbraw/zinc/72/27/56/543722756.db2.gz KMUCNQBPOWGDHF-KDQUWOQTSA-N 1 0 281.440 3.126 10 0 CGAERO CC(C)[C@H](C)NC(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000725264444 544114107 /nfs/dbraw/zinc/11/41/07/544114107.db2.gz OOZMYVUXSBNZMG-NSHDSACASA-N 1 0 263.385 3.046 10 0 CGAERO CC(C)(C)OC(=O)C[C@H]([NH3+])c1cccc(Cl)c1 ZINC000725269102 544114637 /nfs/dbraw/zinc/11/46/37/544114637.db2.gz KMEMQJIRJIWLFJ-NSHDSACASA-N 1 0 255.745 3.072 10 0 CGAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000134639187 287451097 /nfs/dbraw/zinc/45/10/97/287451097.db2.gz FSFCCFXARPJVOG-XGUBFFRZSA-N 1 0 251.414 3.118 10 0 CGAERO Cc1c2ccccc2oc1[C@@H](C)[NH2+]C1CC(CO)C1 ZINC000658352921 418946979 /nfs/dbraw/zinc/94/69/79/418946979.db2.gz ZYEZMPKCHWLRFV-PNESKVBLSA-N 1 0 259.349 3.163 10 0 CGAERO CSc1cccc(C[NH2+][C@@H](C)[C@H]2CCCO2)c1 ZINC000660263725 419116159 /nfs/dbraw/zinc/11/61/59/419116159.db2.gz MERZICBKQKGDBI-SMDDNHRTSA-N 1 0 251.395 3.066 10 0 CGAERO O[C@@H]1CCC[C@H]([NH2+]C2CCC(C3CCC3)CC2)C1 ZINC000657325045 419250825 /nfs/dbraw/zinc/25/08/25/419250825.db2.gz FPAPFMPHZFKYGN-SSHXOBKSSA-N 1 0 251.414 3.238 10 0 CGAERO Cc1ccc([C@@H](C)[NH2+]Cc2cnc3n2CCC3)cc1C ZINC000657337520 419254422 /nfs/dbraw/zinc/25/44/22/419254422.db2.gz YEHJFOWAFFXEHP-CQSZACIVSA-N 1 0 269.392 3.297 10 0 CGAERO CC(C)n1ccnc1C[NH2+][C@H](C)COCc1ccccc1 ZINC000657379545 419264778 /nfs/dbraw/zinc/26/47/78/419264778.db2.gz ZRJPYTXPHTXSMO-OAHLLOKOSA-N 1 0 287.407 3.159 10 0 CGAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCC(C)(C)CC(C)(C)C1 ZINC000662658247 419476195 /nfs/dbraw/zinc/47/61/95/419476195.db2.gz VVBWKIOGCNDINE-ZDUSSCGKSA-N 1 0 268.445 3.035 10 0 CGAERO CC1(C)CCN(C(=O)CC[C@H]2CCC[NH2+]2)CC(C)(C)C1 ZINC000662656422 419474342 /nfs/dbraw/zinc/47/43/42/419474342.db2.gz DDGOPHXALWDAIX-CQSZACIVSA-N 1 0 280.456 3.193 10 0 CGAERO CCn1nc(C)c([C@@H](C)[NH2+]C[C@@]2(C)CC2(F)F)c1C ZINC000658220582 419674743 /nfs/dbraw/zinc/67/47/43/419674743.db2.gz QPJIFDDVZQSIEJ-NOZJJQNGSA-N 1 0 271.355 3.216 10 0 CGAERO O[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCCC12CCCCC2 ZINC000313052800 260241649 /nfs/dbraw/zinc/24/16/49/260241649.db2.gz UVEZWVBZFGQFRQ-KFWWJZLASA-N 1 0 251.414 3.240 10 0 CGAERO COc1cccc(NC(=O)C[NH2+][C@@H](C)c2cccs2)c1 ZINC000035133043 270027758 /nfs/dbraw/zinc/02/77/58/270027758.db2.gz FHUXYROCBXPRKK-NSHDSACASA-N 1 0 290.388 3.046 10 0 CGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1cccc(C(N)=O)c1 ZINC000035231721 270027799 /nfs/dbraw/zinc/02/77/99/270027799.db2.gz LLXCYCDKSLZMSE-XOKHGSTOSA-N 1 0 288.435 3.336 10 0 CGAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@@H](C)c1cccs1 ZINC000037167059 270028693 /nfs/dbraw/zinc/02/86/93/270028693.db2.gz AASHIMQGSCYRHO-STQMWFEESA-N 1 0 254.443 3.375 10 0 CGAERO CCCCC[NH2+][C@H]1CCN(CCc2ccccc2)C1 ZINC000040671132 270029964 /nfs/dbraw/zinc/02/99/64/270029964.db2.gz WVXFONRKOCCEOL-KRWDZBQOSA-N 1 0 260.425 3.083 10 0 CGAERO CCN(CC)C[C@@H](C)[NH2+][C@H](c1ccc(OC)cc1)C1CC1 ZINC000045692874 270038771 /nfs/dbraw/zinc/03/87/71/270038771.db2.gz CACNKCZCBRBWJF-KDOFPFPSSA-N 1 0 290.451 3.466 10 0 CGAERO C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000085360027 270043533 /nfs/dbraw/zinc/04/35/33/270043533.db2.gz RAKCRIWOLCOWPP-WQVCFCJDSA-N 1 0 288.435 3.289 10 0 CGAERO CC(C)Oc1ccc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])cc1Cl ZINC000085364173 270043544 /nfs/dbraw/zinc/04/35/44/270043544.db2.gz AJQIFMNRCVJLNC-AAEUAGOBSA-N 1 0 296.798 3.193 10 0 CGAERO C[C@@H]1C[C@H](C(=O)NCCC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC000183558204 270055611 /nfs/dbraw/zinc/05/56/11/270055611.db2.gz NFHFHMCCZPBOEY-ZBFHGGJFSA-N 1 0 294.483 3.297 10 0 CGAERO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1nnc(C)n1CC ZINC000191829778 270076431 /nfs/dbraw/zinc/07/64/31/270076431.db2.gz FAICYERYJPNACX-UONOGXRCSA-N 1 0 264.417 3.055 10 0 CGAERO CCC[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000192744150 270077749 /nfs/dbraw/zinc/07/77/49/270077749.db2.gz CEOWZEGYEGOEQK-HUUCEWRRSA-N 1 0 261.413 3.312 10 0 CGAERO CC(C)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2CO)cc1 ZINC000219031147 270085920 /nfs/dbraw/zinc/08/59/20/270085920.db2.gz AQVGSTPHDSOODQ-DLBZAZTESA-N 1 0 261.409 3.451 10 0 CGAERO C[C@H](CN(C)Cc1ccccc1)[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000321534414 270093414 /nfs/dbraw/zinc/09/34/14/270093414.db2.gz PRDVSXZRORAQHF-HWMZRRJGSA-N 1 0 260.425 3.141 10 0 CGAERO CCn1nc(C)c([C@@H](C)[NH2+]Cc2cccnc2C)c1C ZINC000527988727 270148797 /nfs/dbraw/zinc/14/87/97/270148797.db2.gz UQUOIZVCBDFSOW-GFCCVEGCSA-N 1 0 272.396 3.074 10 0 CGAERO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccccc1)C1CCCC1 ZINC000246364870 287703296 /nfs/dbraw/zinc/70/32/96/287703296.db2.gz LFIJJKPPAXCVIC-ILXRZTDVSA-N 1 0 288.435 3.421 10 0 CGAERO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)CCC2 ZINC000268926778 274132647 /nfs/dbraw/zinc/13/26/47/274132647.db2.gz XZUZGSRGYPNZFR-JKSUJKDBSA-N 1 0 277.408 3.069 10 0 CGAERO C[C@H]([NH2+]C1CCN(c2ncccn2)CC1)C1CCCCC1 ZINC000037273267 274510540 /nfs/dbraw/zinc/51/05/40/274510540.db2.gz UAFYKZMEOYQXMQ-AWEZNQCLSA-N 1 0 288.439 3.004 10 0 CGAERO Clc1ccc2onc(N3CC[C@]4(C3)CCC[NH2+]C4)c2c1 ZINC000334993898 274883466 /nfs/dbraw/zinc/88/34/66/274883466.db2.gz FBBGQBPEPCBWIG-OAHLLOKOSA-N 1 0 291.782 3.061 10 0 CGAERO O[C@]1(c2ccc(F)cc2)[C@@H]2C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000100645510 275060491 /nfs/dbraw/zinc/06/04/91/275060491.db2.gz DKGIIODMNFUNIW-IZZQQSIFSA-N 1 0 297.373 3.165 10 0 CGAERO C[C@@H]1CCCC[C@H]1[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000252087425 287838677 /nfs/dbraw/zinc/83/86/77/287838677.db2.gz DAUSYHNBGKSOOU-DJIMGWMZSA-N 1 0 260.425 3.458 10 0 CGAERO CC[N@@H+]1CCC[C@H]1CN[C@@H](c1ccco1)c1ccccc1 ZINC000216024546 276187611 /nfs/dbraw/zinc/18/76/11/276187611.db2.gz OIVRTXOZZFPINL-FUHWJXTLSA-N 1 0 284.403 3.443 10 0 CGAERO CC1CCC(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000094372576 276189649 /nfs/dbraw/zinc/18/96/49/276189649.db2.gz BTSGKVNRDOFRMN-QDIHITRGSA-N 1 0 283.481 3.457 10 0 CGAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCOc3ccccc32)C12CCC2 ZINC000087709869 276346765 /nfs/dbraw/zinc/34/67/65/276346765.db2.gz ZVHVRFGJIMDYKC-DJIMGWMZSA-N 1 0 287.403 3.448 10 0 CGAERO CCN1CCC[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC000085126042 276375996 /nfs/dbraw/zinc/37/59/96/276375996.db2.gz HTGJVKSFBZQXEG-BPCQOVAHSA-N 1 0 278.362 3.181 10 0 CGAERO CC[C@@H]([NH3+])C(=O)Nc1ccccc1-c1ccccc1 ZINC000089069433 276431497 /nfs/dbraw/zinc/43/14/97/276431497.db2.gz PUUNYADIKLAIIC-CQSZACIVSA-N 1 0 254.333 3.029 10 0 CGAERO CC[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1ccccc1OC ZINC000166640090 276591215 /nfs/dbraw/zinc/59/12/15/276591215.db2.gz AMZFGZCKLZWMJA-JENIJYKNSA-N 1 0 297.398 3.394 10 0 CGAERO CC[C@](C)(O)C[NH2+][C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000154538292 276650146 /nfs/dbraw/zinc/65/01/46/276650146.db2.gz MJOAHPILGPTPPE-BBRMVZONSA-N 1 0 281.371 3.179 10 0 CGAERO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@@H]1CCSC1 ZINC000180991405 276712261 /nfs/dbraw/zinc/71/22/61/276712261.db2.gz WKEROKBIUBJFGJ-VXGBXAGGSA-N 1 0 275.421 3.212 10 0 CGAERO CN1C(=O)C[C@@H]([NH2+]Cc2ccc(F)cc2)c2ccccc21 ZINC000037211155 277012425 /nfs/dbraw/zinc/01/24/25/277012425.db2.gz ZVJSCVJCBLGJPX-OAHLLOKOSA-N 1 0 284.334 3.023 10 0 CGAERO CC(C)CC1(CNC(=O)[C@H]([NH3+])C(C)(C)C)CCCC1 ZINC000123436052 277348846 /nfs/dbraw/zinc/34/88/46/277348846.db2.gz LAWDUQUEBXWYAE-ZDUSSCGKSA-N 1 0 268.445 3.083 10 0 CGAERO COC1CCC([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)CC1 ZINC000328617036 277477597 /nfs/dbraw/zinc/47/75/97/277477597.db2.gz CICANEYFYIHTMN-AQEOSJORSA-N 1 0 289.419 3.311 10 0 CGAERO C[C@@H](CC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+])C1CCCCC1 ZINC000261680311 277559115 /nfs/dbraw/zinc/55/91/15/277559115.db2.gz DHYMVUGRKZXFOP-IJEWVQPXSA-N 1 0 280.456 3.179 10 0 CGAERO OCCC[C@@H]1CCC[N@@H+]1C[C@H]1CCCCC1(F)F ZINC000394473145 288002399 /nfs/dbraw/zinc/00/23/99/288002399.db2.gz NRHJWZIJRPKVHX-OLZOCXBDSA-N 1 0 261.356 3.049 10 0 CGAERO COc1cccc(C[NH2+][C@H]2c3cc(C)ccc3C[C@H]2C)n1 ZINC000180460640 278013297 /nfs/dbraw/zinc/01/32/97/278013297.db2.gz HUAVONNVJGNMCY-FZKQIMNGSA-N 1 0 282.387 3.422 10 0 CGAERO CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000395203018 288007096 /nfs/dbraw/zinc/00/70/96/288007096.db2.gz DYWUOBSTMDZOLS-WFASDCNBSA-N 1 0 294.826 3.077 10 0 CGAERO C[C@H](N[C@@H]1CCC[NH2+][C@@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000396547934 288013722 /nfs/dbraw/zinc/01/37/22/288013722.db2.gz CWNDGSLAFGYVJK-MISXGVKJSA-N 1 0 286.341 3.497 10 0 CGAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCC1(CO)CC1 ZINC000396031131 288012584 /nfs/dbraw/zinc/01/25/84/288012584.db2.gz ZUEBIRRNUPBJGN-KBPBESRZSA-N 1 0 253.430 3.344 10 0 CGAERO CC1(C)C[C@@H]([NH2+][C@H]2CC(C)(C)Oc3ccccc32)CO1 ZINC000396625495 288014673 /nfs/dbraw/zinc/01/46/73/288014673.db2.gz FHCFULSFSFEREX-OCCSQVGLSA-N 1 0 275.392 3.446 10 0 CGAERO C[C@@H](CCO)[NH2+]C1c2ccccc2CCc2ccccc21 ZINC000180582846 278234811 /nfs/dbraw/zinc/23/48/11/278234811.db2.gz GFYJOQGJMGIUBO-AWEZNQCLSA-N 1 0 281.399 3.235 10 0 CGAERO CC[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)[C@H]1CC1(C)C ZINC000397587496 288024694 /nfs/dbraw/zinc/02/46/94/288024694.db2.gz IWDNODGUGLXSQI-BARDWOONSA-N 1 0 250.430 3.028 10 0 CGAERO O[C@@H]1CC[C@H]2C[N@H+](CCSc3ccc(F)cc3)C[C@H]2C1 ZINC000398984234 288048884 /nfs/dbraw/zinc/04/88/84/288048884.db2.gz DWTPVFQTITZRKQ-GZBFAFLISA-N 1 0 295.423 3.011 10 0 CGAERO CC(C)[C@@H](C(=O)N[C@@H](C)c1ccc(Cl)s1)[C@@H](C)[NH3+] ZINC000399494734 288052081 /nfs/dbraw/zinc/05/20/81/288052081.db2.gz HTJIVWSIHRTVQO-VDDIYKPWSA-N 1 0 288.844 3.198 10 0 CGAERO CC(C)[C@H](C(=O)N[C@@H](C)c1cccc(Cl)c1)[C@H](C)[NH3+] ZINC000399700724 288053605 /nfs/dbraw/zinc/05/36/05/288053605.db2.gz CCTUSBUQLZDHJQ-MJVIPROJSA-N 1 0 282.815 3.137 10 0 CGAERO CCCC[NH+](CCCC)[C@H](C(N)=O)c1ccc(OC)cc1 ZINC000002036733 278692800 /nfs/dbraw/zinc/69/28/00/278692800.db2.gz WUSAVCGXMSWMQM-INIZCTEOSA-N 1 0 292.423 3.124 10 0 in-man CGAERO ClC(Cl)(Cl)CC[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000248618342 279290190 /nfs/dbraw/zinc/29/01/90/279290190.db2.gz LLQXTMHAKKNMOV-NXEZZACHSA-N 1 0 286.630 3.248 10 0 CGAERO FC1(F)CCC[C@@H]1CN1CCC([NH+]2CCCCC2)CC1 ZINC000336186807 279451692 /nfs/dbraw/zinc/45/16/92/279451692.db2.gz CGAPIHNTBOPUPB-CQSZACIVSA-N 1 0 286.410 3.372 10 0 CGAERO C[C@H]([NH2+]C1(C2CCC2)CCC1)C(=O)Nc1ccccc1 ZINC000459757986 279451940 /nfs/dbraw/zinc/45/19/40/279451940.db2.gz HPCFCHZORXCNDB-ZDUSSCGKSA-N 1 0 272.392 3.326 10 0 CGAERO C[C@@H]1C[C@H](C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC(C)(C)C1 ZINC000245656413 288620158 /nfs/dbraw/zinc/62/01/58/288620158.db2.gz DRUUWRZAOPMRMK-OWCLPIDISA-N 1 0 292.467 3.146 10 0 CGAERO C[C@H]([NH2+][C@H]1CC(C)(C)C[C@H]1C)c1nnc2n1CCCC2 ZINC000192910994 290039235 /nfs/dbraw/zinc/03/92/35/290039235.db2.gz GXCDGIHEORFDLE-AGIUHOORSA-N 1 0 276.428 3.090 10 0 CGAERO Cn1cc([C@@H]2CCC[N@@H+]2[C@@H]2CCc3ccc(F)cc32)cn1 ZINC000177706066 294278591 /nfs/dbraw/zinc/27/85/91/294278591.db2.gz BJNPTOVRYNDARS-DLBZAZTESA-N 1 0 285.366 3.384 10 0 CGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@]3(CCOC3)C2)CC(C)(C)C1 ZINC000356308989 297447490 /nfs/dbraw/zinc/44/74/90/297447490.db2.gz YDKCPZPOQQHMRV-PNBKFKSVSA-N 1 0 281.440 3.129 10 0 CGAERO CCc1ccccc1C[NH+]1CCC(Cn2cccn2)CC1 ZINC000188962036 327762714 /nfs/dbraw/zinc/76/27/14/327762714.db2.gz INKFQCVNIWWTNA-UHFFFAOYSA-N 1 0 283.419 3.358 10 0 CGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)CCn1cccn1)[C@H](C)C2 ZINC000162298823 321881072 /nfs/dbraw/zinc/88/10/72/321881072.db2.gz LRMTUXFBDNVDNR-RVKKMQEKSA-N 1 0 283.419 3.493 10 0 CGAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000572834402 322356925 /nfs/dbraw/zinc/35/69/25/322356925.db2.gz INQPXKDAGUHYQM-GRYCIOLGSA-N 1 0 281.362 3.352 10 0 CGAERO CCC[C@@H]1C[C@@H]1[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000396417197 329319927 /nfs/dbraw/zinc/31/99/27/329319927.db2.gz MAMBOKFCXMXICY-ZYGVAYEYSA-N 1 0 265.319 3.001 10 0 CGAERO CC(C)(C)OC(=O)Nc1c(Cl)ccc2c1CC[NH2+]C2 ZINC000536950076 330382185 /nfs/dbraw/zinc/38/21/85/330382185.db2.gz KFWCFHVRIYDXFT-UHFFFAOYSA-N 1 0 282.771 3.333 10 0 CGAERO CC(C)Cn1cc([C@H]2[NH2+]CC23CCC(F)(F)CC3)cn1 ZINC000536960406 330384120 /nfs/dbraw/zinc/38/41/20/330384120.db2.gz QBVKRDBEAACIFE-CYBMUJFWSA-N 1 0 283.366 3.379 10 0 CGAERO CC/C=C\CC[N@@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000341305514 335167772 /nfs/dbraw/zinc/16/77/72/335167772.db2.gz VKYDBHHAGKAKEN-IHLDYCTFSA-N 1 0 281.346 3.429 10 0 CGAERO [NH3+]C[C@H]1CC[C@@H](Nc2ccnc3cc(Cl)ccc32)C1 ZINC000382431648 336089234 /nfs/dbraw/zinc/08/92/34/336089234.db2.gz RDKBKEDLJVDBQZ-CMPLNLGQSA-N 1 0 275.783 3.428 10 0 CGAERO CC(C)N(Cc1cccs1)[C@@H](C)C[NH2+]C1CC1 ZINC000052544923 519661654 /nfs/dbraw/zinc/66/16/54/519661654.db2.gz UGLTYTXUDFARMU-LBPRGKRZSA-N 1 0 252.427 3.099 10 0 CGAERO CC(C)[NH2+]C[C@H]1C[C@H]1c1ccccc1OC(F)F ZINC000054594719 519726303 /nfs/dbraw/zinc/72/63/03/519726303.db2.gz GPJJTFGVGSQYRV-ZYHUDNBSSA-N 1 0 255.308 3.390 10 0 CGAERO CC(C)C[NH2+]Cc1cnc(N2C[C@@H](C)C[C@H](C)C2)s1 ZINC000054899736 519748439 /nfs/dbraw/zinc/74/84/39/519748439.db2.gz YZLHJWSIDWEXGH-STQMWFEESA-N 1 0 281.469 3.371 10 0 CGAERO CC(C)OCC[C@@H](C[NH3+])Cc1ccccc1Cl ZINC000052948601 519770259 /nfs/dbraw/zinc/77/02/59/519770259.db2.gz RRDCMWSLUDUVAU-GFCCVEGCSA-N 1 0 255.789 3.273 10 0 CGAERO CCC[NH2+]CCCCCn1nc(C)c(CC)c1C ZINC000052592147 519912279 /nfs/dbraw/zinc/91/22/79/519912279.db2.gz BEJBSGKQWFLRPK-UHFFFAOYSA-N 1 0 251.418 3.232 10 0 CGAERO CCC[NH2+]C[C@@H](CCOCC)Cc1cccc(F)c1 ZINC000052977234 519921421 /nfs/dbraw/zinc/92/14/21/519921421.db2.gz GSXCXYRTJDCDMB-HNNXBMFYSA-N 1 0 267.388 3.411 10 0 CGAERO CCC[NH2+][C@@H]1CC[C@@H](CC)C[C@@H]1Cc1cnn(C)c1 ZINC000050540938 520024704 /nfs/dbraw/zinc/02/47/04/520024704.db2.gz DQLBHNZUSFQTBT-FVQBIDKESA-N 1 0 263.429 3.157 10 0 CGAERO CC1(C)CN(Cc2ccccc2Cl)C(C)(C)C[NH2+]1 ZINC000062663521 520481744 /nfs/dbraw/zinc/48/17/44/520481744.db2.gz OVQHLJIGPHVYJU-UHFFFAOYSA-N 1 0 266.816 3.302 10 0 CGAERO CCCc1nc(N2CC[C@@H](C)C2)sc1C[NH2+]CC ZINC000054998392 521534369 /nfs/dbraw/zinc/53/43/69/521534369.db2.gz IBEFJTDWZYYQOJ-LLVKDONJSA-N 1 0 267.442 3.051 10 0 CGAERO C[NH2+]C(C)(C)C(=O)N[C@H](c1ccc(Cl)cc1)C(C)C ZINC000061300804 521938913 /nfs/dbraw/zinc/93/89/13/521938913.db2.gz QAVBIFQOGCNFCO-ZDUSSCGKSA-N 1 0 282.815 3.151 10 0 CGAERO C[NH2+]C[C@H](CCCOC)Cc1ccccc1Cl ZINC000052979473 522074539 /nfs/dbraw/zinc/07/45/39/522074539.db2.gz BPVVVRFNHHFYOT-GFCCVEGCSA-N 1 0 255.789 3.145 10 0 CGAERO C[NH2+][C@@H](C)c1ccc(OC[C@@H]2CCCO2)c(Cl)c1 ZINC000061698833 522334159 /nfs/dbraw/zinc/33/41/59/522334159.db2.gz QMHHZZBHYLHUMK-JQWIXIFHSA-N 1 0 269.772 3.178 10 0 CGAERO CCc1nc(N(CC)C(C)C)sc1C[NH2+]C1CC1 ZINC000054996505 522380912 /nfs/dbraw/zinc/38/09/12/522380912.db2.gz XUFKCPUUENJAPG-UHFFFAOYSA-N 1 0 267.442 3.192 10 0 CGAERO C[NH2+][C@@H]1CCC[C@H]1Cc1cc(Br)ccc1OC ZINC000049597077 522387113 /nfs/dbraw/zinc/38/71/13/522387113.db2.gz FRFVKKANCMSQGQ-GXFFZTMASA-N 1 0 298.224 3.388 10 0 CGAERO OC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1Br ZINC000152301498 534395697 /nfs/dbraw/zinc/39/56/97/534395697.db2.gz MHNBHTROWSVBKW-OCCSQVGLSA-N 1 0 298.224 3.090 10 0 CGAERO CC(C)C[C@H]1C[NH2+]CCN1Cc1ccc(Cl)cc1 ZINC000062663532 519415801 /nfs/dbraw/zinc/41/58/01/519415801.db2.gz LDKGMCNPPPYVCN-HNNXBMFYSA-N 1 0 266.816 3.160 10 0 CGAERO CC(C)[NH2+]Cc1sc(N(C)C)nc1C(C)(C)C ZINC000054995960 519730237 /nfs/dbraw/zinc/73/02/37/519730237.db2.gz NEUZYWJIOJTZKI-UHFFFAOYSA-N 1 0 255.431 3.005 10 0 CGAERO CC(C)C[NH2+]C[C@@]1(Cc2ccccc2F)CCOC1 ZINC000054665843 519745646 /nfs/dbraw/zinc/74/56/46/519745646.db2.gz LSGVMFDJTSKKNN-INIZCTEOSA-N 1 0 265.372 3.021 10 0 CGAERO CC(C)C[NH2+]Cc1cnc(N2CCC(C)CC2)s1 ZINC000054899893 519748314 /nfs/dbraw/zinc/74/83/14/519748314.db2.gz JUXPVRWTHZPSBN-UHFFFAOYSA-N 1 0 267.442 3.125 10 0 CGAERO CC(C)Oc1cccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)c1 ZINC000085979067 519783210 /nfs/dbraw/zinc/78/32/10/519783210.db2.gz VFOXRRUGQBESTH-RDJZCZTQSA-N 1 0 277.408 3.115 10 0 CGAERO CC(C)[C@@H](C)[NH2+]CCn1cc(-c2ccccc2)cn1 ZINC000054962212 519792330 /nfs/dbraw/zinc/79/23/30/519792330.db2.gz YYPALTSGTDHDPE-CQSZACIVSA-N 1 0 257.381 3.184 10 0 CGAERO CC(C)[C@@H](C[NH3+])Cc1ccc(OC(F)(F)F)cc1 ZINC000052947174 519794324 /nfs/dbraw/zinc/79/43/24/519794324.db2.gz GIDGFMYEFVBHDK-LLVKDONJSA-N 1 0 261.287 3.359 10 0 CGAERO CC(C)c1ccc(OCc2cccnc2C[NH3+])cc1 ZINC000061657213 519838322 /nfs/dbraw/zinc/83/83/22/519838322.db2.gz CTIIJRPAEQAUAY-UHFFFAOYSA-N 1 0 256.349 3.243 10 0 CGAERO CC(C)c1ccc(OCc2cc[nH+]c(NN)c2)cc1 ZINC000052728573 519838334 /nfs/dbraw/zinc/83/83/34/519838334.db2.gz DMRRQIOKCJYBRS-UHFFFAOYSA-N 1 0 257.337 3.070 10 0 CGAERO CCCC1CC[NH+]([C@@]2(CN)CCC[C@@H](C)C2)CC1 ZINC000050893304 519903154 /nfs/dbraw/zinc/90/31/54/519903154.db2.gz CIVUOKMTVOZGDE-ZBFHGGJFSA-N 1 0 252.446 3.406 10 0 CGAERO CC[NH2+]C(C)(C)CN(C)Cc1ccc(Br)cc1 ZINC000061299761 519908396 /nfs/dbraw/zinc/90/83/96/519908396.db2.gz RXNXNMUVXVZQMY-UHFFFAOYSA-N 1 0 299.256 3.269 10 0 CGAERO CCC[NH2+]CCCCOc1ccc(CCOC)cc1 ZINC000052699211 519911815 /nfs/dbraw/zinc/91/18/15/519911815.db2.gz BCHOJPCYFYXDNK-UHFFFAOYSA-N 1 0 265.397 3.034 10 0 CGAERO CCC[NH2+]C[C@@H](OCCOC)c1ccccc1Cl ZINC000050495621 519921742 /nfs/dbraw/zinc/92/17/42/519921742.db2.gz LZWMSFHUPKKBFD-CQSZACIVSA-N 1 0 271.788 3.044 10 0 CGAERO CC[NH2+]C[C@H](OCCC(C)C)c1ccccc1OC ZINC000050493528 519972928 /nfs/dbraw/zinc/97/29/28/519972928.db2.gz RFLJLIRMRVFGLE-INIZCTEOSA-N 1 0 265.397 3.409 10 0 CGAERO CCC[NH2+]Cc1sc(N2CCC[C@H]2CC)nc1C ZINC000054968819 519974700 /nfs/dbraw/zinc/97/47/00/519974700.db2.gz JGSPQTIODAGQDC-GFCCVEGCSA-N 1 0 267.442 3.330 10 0 CGAERO CC[NH2+]Cc1cc(C)nc(-c2ccccc2Cl)n1 ZINC000054831137 519988426 /nfs/dbraw/zinc/98/84/26/519988426.db2.gz IXTBMKBOQAGCBS-UHFFFAOYSA-N 1 0 261.756 3.215 10 0 CGAERO CCC[NH2+][C@@H]1CCN([C@@H](C)c2cc(C)sc2C)C1 ZINC000049508941 520021965 /nfs/dbraw/zinc/02/19/65/520021965.db2.gz ZSRDPLZEIVPHEW-GXTWGEPZSA-N 1 0 266.454 3.500 10 0 CGAERO CC[NH2+]Cc1sc(N2CC[C@@H](C)C2)nc1C(C)(C)C ZINC000054998436 520035116 /nfs/dbraw/zinc/03/51/16/520035116.db2.gz LZFSTGUFMYBNTO-LLVKDONJSA-N 1 0 281.469 3.396 10 0 CGAERO CCC[NH2+][C@H](C)COc1cccc2ccc(C)nc21 ZINC000044101101 520061807 /nfs/dbraw/zinc/06/18/07/520061807.db2.gz RBZMSZVAAFZPNX-CYBMUJFWSA-N 1 0 258.365 3.310 10 0 CGAERO CC[NH2+][C@H](Cc1csc(C)n1)c1ccc(OC)cc1 ZINC000055295356 520203771 /nfs/dbraw/zinc/20/37/71/520203771.db2.gz UFENXURSQITKLS-OAHLLOKOSA-N 1 0 276.405 3.353 10 0 CGAERO CCCOc1cc(OC)ccc1C[NH2+]C(C)(C)C ZINC000062733085 520316466 /nfs/dbraw/zinc/31/64/66/520316466.db2.gz YIHLBSHHDJCACV-UHFFFAOYSA-N 1 0 251.370 3.372 10 0 CGAERO c1ccc(C2CCC([NH2+]C[C@@H]3[C@H]4COC[C@H]43)CC2)cc1 ZINC000367683464 534483343 /nfs/dbraw/zinc/48/33/43/534483343.db2.gz COSFOFJYTNNSLK-NJZDOBRDSA-N 1 0 271.404 3.195 10 0 CGAERO CCCOc1ccc([C@@H](CSC)[NH2+]CC)cc1 ZINC000055264830 520417219 /nfs/dbraw/zinc/41/72/19/520417219.db2.gz MUDYPRDJBBWZFT-CQSZACIVSA-N 1 0 253.411 3.489 10 0 CGAERO CCC[C@@H](C[NH2+]CC(C)C)Cc1cnn(CC)c1 ZINC000052970863 520709852 /nfs/dbraw/zinc/70/98/52/520709852.db2.gz PUQTZQNJSXKZDM-CQSZACIVSA-N 1 0 251.418 3.107 10 0 CGAERO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(NC)n1 ZINC000054613818 520762628 /nfs/dbraw/zinc/76/26/28/520762628.db2.gz YSRSPVNMPOSIPA-UHFFFAOYSA-N 1 0 278.425 3.192 10 0 CGAERO CCC[C@@H]([NH2+]CCCC(=O)OC)c1cccs1 ZINC000049544333 520774768 /nfs/dbraw/zinc/77/47/68/520774768.db2.gz BVABVIIUWDJYPZ-LLVKDONJSA-N 1 0 255.383 3.132 10 0 CGAERO CCC[C@H](C)[NH2+]C[C@@H](C)n1ccc(C(F)(F)F)n1 ZINC000053533698 521061384 /nfs/dbraw/zinc/06/13/84/521061384.db2.gz NJUDEDQOQIZLFB-VHSXEESVSA-N 1 0 263.307 3.241 10 0 CGAERO CCCC[C@](CC)(C[NH2+]C1CC1)Cc1cnn(C)c1 ZINC000054658074 521256302 /nfs/dbraw/zinc/25/63/02/521256302.db2.gz CYESWIBCCGFBMY-INIZCTEOSA-N 1 0 263.429 3.301 10 0 CGAERO CCOc1cccc(C[NH2+]C(C)(C)C)c1OCC ZINC000062732671 521358732 /nfs/dbraw/zinc/35/87/32/521358732.db2.gz ABKTVOLVLMTMEV-UHFFFAOYSA-N 1 0 251.370 3.372 10 0 CGAERO CCN(Cc1cccs1)[C@@H](C)C[NH2+]C(C)(C)C ZINC000052546288 521410413 /nfs/dbraw/zinc/41/04/13/521410413.db2.gz HSQVXQFMYCTOPZ-LBPRGKRZSA-N 1 0 254.443 3.347 10 0 CGAERO CCN([C@H](C[NH3+])c1csc2ccccc12)C1CC1 ZINC000054463987 521477006 /nfs/dbraw/zinc/47/70/06/521477006.db2.gz XZCXRLWWESYFAX-CQSZACIVSA-N 1 0 260.406 3.385 10 0 CGAERO CCC(CC)(c1ccccc1)[C@@H]([NH3+])c1cnn(C)c1 ZINC000062783868 521480350 /nfs/dbraw/zinc/48/03/50/521480350.db2.gz AFKXLUFQDSBSNY-HNNXBMFYSA-N 1 0 257.381 3.178 10 0 CGAERO CCC(CC)CN(CC)C(=O)[C@H]1CCC[C@@H]([NH3+])[C@@H]1C ZINC000055128876 521518436 /nfs/dbraw/zinc/51/84/36/521518436.db2.gz FYGQCOPFZJFVBM-VHDGCEQUSA-N 1 0 268.445 3.035 10 0 CGAERO CCOc1ccccc1[C@@H](C[NH3+])Nc1ccc(OC)cc1 ZINC000057597303 521576781 /nfs/dbraw/zinc/57/67/81/521576781.db2.gz NSAMZFVUAYZSPC-MRXNPFEDSA-N 1 0 286.375 3.206 10 0 CGAERO CCC(CC)[NH2+]C[C@@H](C)n1nc(C)c(Cl)c1C ZINC000053536140 521596563 /nfs/dbraw/zinc/59/65/63/521596563.db2.gz OVEMWKBGFIXPRP-SECBINFHSA-N 1 0 257.809 3.493 10 0 CGAERO C[NH2+]C[C@@]1(Cc2ccccc2OC)C[C@H]2CC[C@@H]1C2 ZINC000054638907 522063305 /nfs/dbraw/zinc/06/33/05/522063305.db2.gz IRJQEPLURACCDM-LXZKKBNFSA-N 1 0 259.393 3.264 10 0 CGAERO C[NH2+]Cc1cc(CO[C@@H]2CCC[C@@H](C)C2)c(C)o1 ZINC000052632145 522111987 /nfs/dbraw/zinc/11/19/87/522111987.db2.gz MLIFRXHRZILXDI-BXUZGUMPSA-N 1 0 251.370 3.403 10 0 CGAERO CC[C@@H](C)[N@@H+]1C[C@H](C(C)C)NC[C@@H]1c1ccccc1 ZINC000062657500 522136254 /nfs/dbraw/zinc/13/62/54/522136254.db2.gz DSCYJDOZEJPOPY-DJIMGWMZSA-N 1 0 260.425 3.456 10 0 CGAERO C[NH2+]Cc1sc(Cc2ccc(C)c(C)c2)nc1C ZINC000061682109 522164346 /nfs/dbraw/zinc/16/43/46/522164346.db2.gz NAORSDFSEJPPDT-UHFFFAOYSA-N 1 0 260.406 3.379 10 0 CGAERO CC[C@H](C[NH2+]C(C)(C)C)n1ccc(C(F)(F)F)n1 ZINC000052592849 522189180 /nfs/dbraw/zinc/18/91/80/522189180.db2.gz HPIOEBFZLZPKKH-SECBINFHSA-N 1 0 263.307 3.241 10 0 CGAERO C[NH2+][C@H]1CCCCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000055232140 522489984 /nfs/dbraw/zinc/48/99/84/522489984.db2.gz WOEOKXFRMDOUCS-KGLIPLIRSA-N 1 0 263.381 3.340 10 0 CGAERO CNc1nc(C[N@H+](C)[C@@H](C)C(C)C)nc2sccc21 ZINC000050814063 522682188 /nfs/dbraw/zinc/68/21/88/522682188.db2.gz LDTOLRVJQKOBMK-JTQLQIEISA-N 1 0 278.425 3.209 10 0 CGAERO CCn1c2ccc(Br)cc2nc1[C@H]([NH3+])C1CC1 ZINC000054501983 523259057 /nfs/dbraw/zinc/25/90/57/523259057.db2.gz OVTXKAMVVNEWGA-GFCCVEGCSA-N 1 0 294.196 3.229 10 0 CGAERO CC[C@@H]1CCCN1c1cccc(Cl)c1C(N)=[NH2+] ZINC000052905218 523271361 /nfs/dbraw/zinc/27/13/61/523271361.db2.gz CEOOQOZCZJHTHE-SECBINFHSA-N 1 0 251.761 3.003 10 0 CGAERO CC[C@H]1C[NH2+][C@H](C(C)C)CN1Cc1ccccc1F ZINC000068695367 523322722 /nfs/dbraw/zinc/32/27/22/523322722.db2.gz QPLBSFRMXHXWRU-HOCLYGCPSA-N 1 0 264.388 3.034 10 0 CGAERO CN(c1nc2c(s1)[C@H]([NH3+])CCC2)c1ccc(F)cc1 ZINC000054897260 523666013 /nfs/dbraw/zinc/66/60/13/523666013.db2.gz GSUIBBYBGMKNPV-LLVKDONJSA-N 1 0 277.368 3.386 10 0 CGAERO C[N@@H+]1CCCC[C@H]1CCNc1c(F)cccc1F ZINC000052205453 523797668 /nfs/dbraw/zinc/79/76/68/523797668.db2.gz YFJNNILNDIKSSV-NSHDSACASA-N 1 0 254.324 3.251 10 0 CGAERO COc1ccc(C)cc1C[C@H](C[NH3+])c1ccccc1 ZINC000057762218 523815844 /nfs/dbraw/zinc/81/58/44/523815844.db2.gz SYPQKSNOOJMDHZ-MRXNPFEDSA-N 1 0 255.361 3.289 10 0 CGAERO C[C@H](CCC[NH2+]C(C)(C)C)n1nnc2ccccc21 ZINC000052576678 524143448 /nfs/dbraw/zinc/14/34/48/524143448.db2.gz UNCPOQWRSOWDHS-GFCCVEGCSA-N 1 0 260.385 3.161 10 0 CGAERO C[C@@H]1CCCC[C@H]1N(C)Cc1[nH+]c(NN)ccc1Cl ZINC000061638474 524162102 /nfs/dbraw/zinc/16/21/02/524162102.db2.gz PVRTYWOOOCFLRK-ZWNOBZJWSA-N 1 0 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292.242 3.007 10 0 CGAERO CCN1CCC[C@H]([NH2+]Cc2cc3cccc(OC)c3o2)C1 ZINC000040502795 618198690 /nfs/dbraw/zinc/19/86/90/618198690.db2.gz VGGHRWMAHNVPCU-AWEZNQCLSA-N 1 0 288.391 3.015 10 0 CGAERO CO[C@@H]1C[C@@H]([NH2+][C@H]2CCOc3ccccc32)C12CCC2 ZINC000308365820 618212491 /nfs/dbraw/zinc/21/24/91/618212491.db2.gz LAYLZQOERNAOBO-NUEKZKHPSA-N 1 0 273.376 3.057 10 0 CGAERO CCCCCC[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000157978890 618245993 /nfs/dbraw/zinc/24/59/93/618245993.db2.gz QJCWAOQKJOQGSK-INIZCTEOSA-N 1 0 278.444 3.187 10 0 CGAERO CC1CC[NH+](C[C@H](O)c2cc3ccccc3o2)CC1 ZINC000044114828 618612231 /nfs/dbraw/zinc/61/22/31/618612231.db2.gz RITVEJMHBFQJAM-AWEZNQCLSA-N 1 0 259.349 3.198 10 0 CGAERO CC1(C)C[C@@H]1[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000044368935 618614164 /nfs/dbraw/zinc/61/41/64/618614164.db2.gz UZPFHRHZSDSPGO-RYUDHWBXSA-N 1 0 273.298 3.127 10 0 CGAERO Cc1cc(C[NH3+])ccc1-c1ccc2c(c1)C[C@H](C)O2 ZINC000091473658 618671499 /nfs/dbraw/zinc/67/14/99/618671499.db2.gz RZBIQJYPAZVYSC-LBPRGKRZSA-N 1 0 253.345 3.444 10 0 CGAERO CC(C)(C)[C@@H]([NH3+])c1ccc(O)c(Br)c1 ZINC000238140934 618687385 /nfs/dbraw/zinc/68/73/85/618687385.db2.gz MPQDDFRBBBOXEW-JTQLQIEISA-N 1 0 258.159 3.201 10 0 CGAERO CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C)C(C)C ZINC000309870744 619014229 /nfs/dbraw/zinc/01/42/29/619014229.db2.gz QPBGHEWUSUAOEQ-CHWSQXEVSA-N 1 0 272.433 3.266 10 0 CGAERO O[C@@H]1CCCCC[C@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000312153070 619031088 /nfs/dbraw/zinc/03/10/88/619031088.db2.gz BIAKQCCJYSFDTK-IAGOWNOFSA-N 1 0 270.376 3.018 10 0 CGAERO FCC[C@H]1CCC[C@H]1[NH2+]CCSC(F)(F)F ZINC000309571569 619039782 /nfs/dbraw/zinc/03/97/82/619039782.db2.gz NAQNKKHSVKOBBO-RKDXNWHRSA-N 1 0 259.312 3.357 10 0 CGAERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1Br)[C@H](C)O ZINC000309962637 619046364 /nfs/dbraw/zinc/04/63/64/619046364.db2.gz LZRDYXGDDBUEKG-VGMNWLOBSA-N 1 0 290.176 3.008 10 0 CGAERO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000310882155 619096789 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CC(C)c1nc([C@@H]2CCC[N@@H+]2C[Si](C)(C)C)no1 ZINC000171735818 623187143 /nfs/dbraw/zinc/18/71/43/623187143.db2.gz IBCUSRWKIGGLCK-NSHDSACASA-N 1 0 267.449 3.207 10 0 CGAERO Clc1cccc(Cl)c1Cc1noc([C@H]2CC[NH2+]C2)n1 ZINC000062119761 623203566 /nfs/dbraw/zinc/20/35/66/623203566.db2.gz XKNHELHOIYBFIK-QMMMGPOBSA-N 1 0 298.173 3.044 10 0 CGAERO CCc1oc2ccccc2c1C[NH2+]C1CC(OC)C1 ZINC000230690227 623266231 /nfs/dbraw/zinc/26/62/31/623266231.db2.gz CXQDQOPRLXBVAT-UHFFFAOYSA-N 1 0 259.349 3.262 10 0 CGAERO C(Cc1nc(C(C2CCC2)C2CCC2)no1)[NH2+]C1CC1 ZINC000312430890 623517297 /nfs/dbraw/zinc/51/72/97/623517297.db2.gz VRVIJISTLDBCAX-UHFFFAOYSA-N 1 0 275.396 3.048 10 0 CGAERO CC1CCC(c2noc([C@@H]3CCC[C@@H]3C[NH3+])n2)CC1 ZINC000089431106 623821444 /nfs/dbraw/zinc/82/14/44/623821444.db2.gz WVHBMRRIXCLVHF-FIYWTHMPSA-N 1 0 263.385 3.206 10 0 CGAERO CCCCCCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000175044931 624610941 /nfs/dbraw/zinc/61/09/41/624610941.db2.gz YDZIBAYEIWJAQK-LSDHHAIUSA-N 1 0 266.429 3.042 10 0 CGAERO CCSc1ccc(-c2noc([C@H]3CCC[NH2+]3)n2)cc1 ZINC000233836172 624649125 /nfs/dbraw/zinc/64/91/25/624649125.db2.gz JRHKPBOTBHRURI-GFCCVEGCSA-N 1 0 275.377 3.273 10 0 CGAERO C[C@H]1C[N@H+](C[C@H](O)c2ccc3ccccc3c2)C[C@H]1C ZINC000076114032 625050883 /nfs/dbraw/zinc/05/08/83/625050883.db2.gz YJEWSKLXEXBENR-IYOUNJFTSA-N 1 0 269.388 3.461 10 0 CGAERO CCC[N@@H+]1CCC[C@H]([C@@H]2CC[C@@H](C(F)(F)F)NC2)C1 ZINC000757571059 630621220 /nfs/dbraw/zinc/62/12/20/630621220.db2.gz JEZOCRCMOSTASW-AGIUHOORSA-N 1 0 278.362 3.039 10 0 CGAERO COc1c(C[NH2+]CCCCCCC(C)C)c(C)nn1C ZINC000134293561 637013302 /nfs/dbraw/zinc/01/33/02/637013302.db2.gz PHUSHYGRQXKFTO-UHFFFAOYSA-N 1 0 281.444 3.433 10 0 CGAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](O)c1ccccc1Cl ZINC000300581065 637846000 /nfs/dbraw/zinc/84/60/00/637846000.db2.gz JNCOIPQIQZQYOP-SWHYSGLUSA-N 1 0 253.773 3.152 10 0 CGAERO CCC[C@@H]1C[C@H]1[NH2+]C[C@H](O)c1ccccc1Cl ZINC000300581063 637846336 /nfs/dbraw/zinc/84/63/36/637846336.db2.gz JNCOIPQIQZQYOP-HONMWMINSA-N 1 0 253.773 3.152 10 0 CGAERO CCCCC[C@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)C(C)(C)C ZINC000115848639 638627146 /nfs/dbraw/zinc/62/71/46/638627146.db2.gz CODDHYWLWRPDDS-GJZGRUSLSA-N 1 0 297.487 3.327 10 0 CGAERO [NH3+][C@H]1CC[C@@H](c2nc(C3CCCCCCC3)no2)C1 ZINC000158827281 640019653 /nfs/dbraw/zinc/01/96/53/640019653.db2.gz MYWXURTWQLALLJ-OLZOCXBDSA-N 1 0 263.385 3.492 10 0 CGAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1[C@H]1C=CCCC1 ZINC000076007755 640166013 /nfs/dbraw/zinc/16/60/13/640166013.db2.gz KFXXSCLDSPNZHH-KBPBESRZSA-N 1 0 280.412 3.084 10 0 CGAERO Cc1c(Cl)cccc1NC(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089385766 640643409 /nfs/dbraw/zinc/64/34/09/640643409.db2.gz VTDMFITUJRQIJU-VXGBXAGGSA-N 1 0 280.799 3.352 10 0 CGAERO CC[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1ccc2c(c1)CCO2 ZINC000246942094 640700556 /nfs/dbraw/zinc/70/05/56/640700556.db2.gz JPSFJIHRXRGUNL-IXDOHACOSA-N 1 0 289.419 3.213 10 0 CGAERO Cc1c(C[NH2+]CCCCCCC(C)C)cnn1C ZINC000093649365 640778302 /nfs/dbraw/zinc/77/83/02/640778302.db2.gz LAKPWANXZLQFQZ-UHFFFAOYSA-N 1 0 251.418 3.425 10 0 CGAERO CC[C@H]1CN2CCCC[C@@H]2C[N@@H+]1CCc1cccs1 ZINC000094433508 640796203 /nfs/dbraw/zinc/79/62/03/640796203.db2.gz PPRYPDHIUPIVCT-LSDHHAIUSA-N 1 0 278.465 3.239 10 0 CGAERO CO[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000251113511 640821516 /nfs/dbraw/zinc/82/15/16/640821516.db2.gz CPLNXUAERRNLDP-OFQRWUPVSA-N 1 0 275.392 3.446 10 0 CGAERO