smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCO[C@@H](CNC(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000091669130 349473388 /nfs/dbraw/zinc/47/33/88/349473388.db2.gz IBAYEKUYPPOTIL-STQMWFEESA-N 1 0 269.389 0.213 10 0 CCAERO CN1CCO[C@H](CNC(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000091669128 349471943 /nfs/dbraw/zinc/47/19/43/349471943.db2.gz IBAYEKUYPPOTIL-QWHCGFSZSA-N 1 0 269.389 0.213 10 0 CCAERO O=C(C[NH2+]Cc1ccccc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000095620096 185016150 /nfs/dbraw/zinc/01/61/50/185016150.db2.gz JBAJOGOILSMZTE-GFCCVEGCSA-N 1 0 282.365 0.080 10 0 CCAERO CNC(=O)CN1CC[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]2C1 ZINC000096081420 185091337 /nfs/dbraw/zinc/09/13/37/185091337.db2.gz GPKRRLPYRMJJOB-CABCVRRESA-N 1 0 288.395 0.581 10 0 CCAERO COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000093344628 349540367 /nfs/dbraw/zinc/54/03/67/349540367.db2.gz MARNBIKVWBFKLO-SRVKXCTJSA-N 1 0 258.362 0.230 10 0 CCAERO C[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1C[C@@H]1COCCO1 ZINC000094433730 349567697 /nfs/dbraw/zinc/56/76/97/349567697.db2.gz LJYADTFWEUKXKP-MGPQQGTHSA-N 1 0 254.374 0.960 10 0 CCAERO COCC[NH2+]C[C@H](O)COCc1ccc(OC)cc1 ZINC000095082309 349590206 /nfs/dbraw/zinc/59/02/06/349590206.db2.gz DBBCYFMGLASOMW-ZDUSSCGKSA-N 1 0 269.341 0.809 10 0 CCAERO C[C@@H](c1ccccn1)S(=O)(=O)N1CCC[C@H]([NH3+])C1 ZINC000095068088 349585060 /nfs/dbraw/zinc/58/50/60/349585060.db2.gz VKRFPXRXPHKTKF-QWRGUYRKSA-N 1 0 269.370 0.896 10 0 CCAERO C[C@@H](c1ccccn1)S(=O)(=O)N[C@H]1CC[NH2+]C1 ZINC000095068080 349585456 /nfs/dbraw/zinc/58/54/56/349585456.db2.gz OTKKXPWTWKLAEY-UWVGGRQHSA-N 1 0 255.343 0.424 10 0 CCAERO O=S(=O)(C[C@@H]1CCC[NH2+]1)c1ccnc(Cl)n1 ZINC000095070085 349587408 /nfs/dbraw/zinc/58/74/08/349587408.db2.gz KJUSCPVTFGGEAO-ZETCQYMHSA-N 1 0 261.734 0.656 10 0 CCAERO Cc1nccnc1S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000095070667 349587436 /nfs/dbraw/zinc/58/74/36/349587436.db2.gz MYHHWSRAYASJDD-UHFFFAOYSA-N 1 0 270.358 0.158 10 0 CCAERO C[NH2+]C1CCN(S(=O)(=O)c2cc(C)ccn2)CC1 ZINC000095071559 349587468 /nfs/dbraw/zinc/58/74/68/349587468.db2.gz ALHBYNFZBNEFGW-UHFFFAOYSA-N 1 0 269.370 0.763 10 0 CCAERO O=S(=O)(C[C@H]1CCC[NH2+]C1)c1ccnc(Cl)n1 ZINC000095070088 349587525 /nfs/dbraw/zinc/58/75/25/349587525.db2.gz MFSXNJFSEMHUAV-QMMMGPOBSA-N 1 0 275.761 0.903 10 0 CCAERO [NH3+]C[C@H]1CCCCN1S(=O)(=O)Cc1cccnc1 ZINC000095072481 349588324 /nfs/dbraw/zinc/58/83/24/349588324.db2.gz MZCRYOJPCSRLGR-GFCCVEGCSA-N 1 0 269.370 0.725 10 0 CCAERO O=S(=O)(Cc1cccnc1)C[C@@H]1CCC[NH2+]C1 ZINC000095073221 349588373 /nfs/dbraw/zinc/58/83/73/349588373.db2.gz AETIDXHGGNZPBC-GFCCVEGCSA-N 1 0 254.355 0.996 10 0 CCAERO O=S1(=O)N=C(NC[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000095073734 349589013 /nfs/dbraw/zinc/58/90/13/349589013.db2.gz ULWWSBWKXAJGGH-SECBINFHSA-N 1 0 265.338 0.335 10 0 CCAERO CC(C)(C)OC(=O)N[C@@H]1CCCN2CC[NH2+]C[C@H]12 ZINC000096957856 185142021 /nfs/dbraw/zinc/14/20/21/185142021.db2.gz SZDQRFAGAJFXCZ-GHMZBOCLSA-N 1 0 255.362 0.947 10 0 CCAERO NS(=O)(=O)c1cccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000097092343 349626662 /nfs/dbraw/zinc/62/66/62/349626662.db2.gz OPSZONXKLYJKKV-IUCAKERBSA-N 1 0 283.353 0.400 10 0 CCAERO OC1(C[N@@H+]2CCC[C@](O)(Cn3ccnn3)C2)CCCC1 ZINC000408034442 137825663 /nfs/dbraw/zinc/82/56/63/137825663.db2.gz TYIXMGLBXIGAIY-CQSZACIVSA-N 1 0 280.372 0.410 10 0 CCAERO CNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000102699331 349683314 /nfs/dbraw/zinc/68/33/14/349683314.db2.gz LHIDPIYHKRUXLG-QMMMGPOBSA-N 1 0 283.303 0.941 10 0 CCAERO Cc1ccc(O)c(C[NH2+]C2CCN(S(C)(=O)=O)CC2)n1 ZINC000103341777 349698464 /nfs/dbraw/zinc/69/84/64/349698464.db2.gz SISRYKDMELCBRJ-UHFFFAOYSA-N 1 0 299.396 0.609 10 0 CCAERO COc1ccccc1C(C)(C)[NH2+]CC(=O)NC(N)=O ZINC000103484610 349701205 /nfs/dbraw/zinc/70/12/05/349701205.db2.gz YHMBUCIOJCGYLP-UHFFFAOYSA-N 1 0 265.313 0.715 10 0 CCAERO CC(=O)NCCCNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105139610 349720546 /nfs/dbraw/zinc/72/05/46/349720546.db2.gz BOPIGVFGFFZEPV-CYBMUJFWSA-N 1 0 282.388 0.392 10 0 CCAERO Cc1nnc(CN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)o1 ZINC000105822456 349724911 /nfs/dbraw/zinc/72/49/11/349724911.db2.gz RICOHCHLMRIRKV-NXEZZACHSA-N 1 0 254.334 0.265 10 0 CCAERO CC[C@@H]1CN(Cc2nncn2C)CC[N@@H+]1C[C@@H](C)O ZINC000105827915 349725376 /nfs/dbraw/zinc/72/53/76/349725376.db2.gz MGFZXVJFCPFRCZ-VXGBXAGGSA-N 1 0 267.377 0.092 10 0 CCAERO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105882841 349726534 /nfs/dbraw/zinc/72/65/34/349726534.db2.gz VSISDFPJULVHRB-CYBMUJFWSA-N 1 0 279.388 0.859 10 0 CCAERO O=C(C[N@@H+]1CCC[C@@H](Cn2cncn2)C1)NC1CC1 ZINC000105883084 349726771 /nfs/dbraw/zinc/72/67/71/349726771.db2.gz BFOQFOPYHTXJLM-LLVKDONJSA-N 1 0 263.345 0.269 10 0 CCAERO COC(=O)CN(C)[C@H]1CCCN(c2cccnn2)C1 ZINC000105909838 349727221 /nfs/dbraw/zinc/72/72/21/349727221.db2.gz MVPCEJFUUGQYQD-NSHDSACASA-N 1 0 264.329 0.550 10 0 CCAERO CCOCC[N@H+](CC)C[C@@H](O)CN1CCCC1=O ZINC000111691145 349774762 /nfs/dbraw/zinc/77/47/62/349774762.db2.gz HAJWRYAUEUWLST-GFCCVEGCSA-N 1 0 258.362 0.328 10 0 CCAERO CCC(=O)N1CC[C@@H](NC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000151700621 290660191 /nfs/dbraw/zinc/66/01/91/290660191.db2.gz LMWBEYLXFIITOX-NEPJUHHUSA-N 1 0 282.388 0.343 10 0 CCAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)[C@@]2(C)CCCNC2=O)C1 ZINC000337157824 282221457 /nfs/dbraw/zinc/22/14/57/282221457.db2.gz QPVZXCBXOTYKGY-WDMOLILDSA-N 1 0 267.373 0.502 10 0 CCAERO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C(N)=O ZINC000408059376 137830577 /nfs/dbraw/zinc/83/05/77/137830577.db2.gz CDNGPWKJSHSMBB-NOOOWODRSA-N 1 0 267.373 0.297 10 0 CCAERO COC(=O)c1cnc(N2CC[N@@H+]3CCCC[C@@H]3C2)nc1 ZINC000113033987 349800342 /nfs/dbraw/zinc/80/03/42/349800342.db2.gz RJNQZOCXWJQOJN-GFCCVEGCSA-N 1 0 276.340 0.938 10 0 CCAERO CCS(=O)(=O)CC(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000113227033 349805077 /nfs/dbraw/zinc/80/50/77/349805077.db2.gz DXBUWACLBOHIRJ-WDEREUQCSA-N 1 0 274.386 0.116 10 0 CCAERO Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)no1 ZINC000113230082 349806156 /nfs/dbraw/zinc/80/61/56/349806156.db2.gz BFIYNOZSRCTZNO-ONGXEEELSA-N 1 0 292.339 0.617 10 0 CCAERO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CC1CCOCC1 ZINC000408073918 137832747 /nfs/dbraw/zinc/83/27/47/137832747.db2.gz YEVGMJGCMPZDLC-OLZOCXBDSA-N 1 0 290.429 0.863 10 0 CCAERO COC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000127906764 187339916 /nfs/dbraw/zinc/33/99/16/187339916.db2.gz IKYBBANBOQDPRO-YNEHKIRRSA-N 1 0 253.346 0.964 10 0 CCAERO CN(CC1CC1)C(=O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000113503918 349813370 /nfs/dbraw/zinc/81/33/70/349813370.db2.gz OKYOADCALRGDRL-CYBMUJFWSA-N 1 0 269.389 0.117 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC(=O)N(C)C ZINC000113596364 349816941 /nfs/dbraw/zinc/81/69/41/349816941.db2.gz QPGDEGLDEJZBTP-NWDGAFQWSA-N 1 0 282.388 0.343 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCn1cccn1 ZINC000114971296 349848383 /nfs/dbraw/zinc/84/83/83/349848383.db2.gz MYWLHHIWLVDMOZ-QWHCGFSZSA-N 1 0 277.372 0.761 10 0 CCAERO COCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116321286 349867730 /nfs/dbraw/zinc/86/77/30/349867730.db2.gz RDMWLHHFLVZNPU-OLZOCXBDSA-N 1 0 294.399 0.751 10 0 CCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)CN1CCCCCC1=O ZINC000335502735 300703245 /nfs/dbraw/zinc/70/32/45/300703245.db2.gz XPUPYXCFIFGTHP-WDEREUQCSA-N 1 0 253.346 0.337 10 0 CCAERO Cc1nn(C)c(C)c1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116786043 349872119 /nfs/dbraw/zinc/87/21/19/349872119.db2.gz BKKZAQYCVASPKD-LBPRGKRZSA-N 1 0 280.372 0.440 10 0 CCAERO CCOCCCNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117024121 349879419 /nfs/dbraw/zinc/87/94/19/349879419.db2.gz UNFNVGHDNNOJFX-GFCCVEGCSA-N 1 0 273.377 0.385 10 0 CCAERO CCOCCN1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC000117280547 349882614 /nfs/dbraw/zinc/88/26/14/349882614.db2.gz YJXXZPJDBHFMDE-CQSZACIVSA-N 1 0 285.432 0.896 10 0 CCAERO C[NH2+]C[C@@H]1COc2c(F)cc(S(C)(=O)=O)cc2O1 ZINC000117421051 349885939 /nfs/dbraw/zinc/88/59/39/349885939.db2.gz CCAIFRVSMWLNEE-SSDOTTSWSA-N 1 0 275.301 0.588 10 0 CCAERO C[C@H]1SCCN(C(=O)C2([NH3+])CCOCC2)[C@H]1C ZINC000159572201 290724898 /nfs/dbraw/zinc/72/48/98/290724898.db2.gz JQNYMPCCSOXJEQ-VHSXEESVSA-N 1 0 258.387 0.847 10 0 CCAERO C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)C1C[NH2+]C1 ZINC000164144025 290746724 /nfs/dbraw/zinc/74/67/24/290746724.db2.gz SVQZVCBQBHMWJK-LBPRGKRZSA-N 1 0 289.379 0.896 10 0 CCAERO C[C@H]1C[N@H+](Cc2cccnc2N)C[C@@H]1N1CCOCC1 ZINC000295119127 199355382 /nfs/dbraw/zinc/35/53/82/199355382.db2.gz WNUUQKGROHQLDA-JSGCOSHPSA-N 1 0 276.384 0.816 10 0 CCAERO CN(C)C(=O)c1ccc(CN2CCO[C@H](C[NH+](C)C)C2)[nH]1 ZINC000128257564 187360363 /nfs/dbraw/zinc/36/03/63/187360363.db2.gz JSCPEDLVXSGZPO-CYBMUJFWSA-N 1 0 294.399 0.479 10 0 CCAERO O=C(CC(F)(F)F)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404031020 290765274 /nfs/dbraw/zinc/76/52/74/290765274.db2.gz XCCLAFWHNRHVBR-HTQZYQBOSA-N 1 0 252.236 0.528 10 0 CCAERO C[N@H+](CCCO)C1CCN([C@H]2CCCCNC2=O)CC1 ZINC000120226393 349975225 /nfs/dbraw/zinc/97/52/25/349975225.db2.gz MFYDJOXLVFZTRP-AWEZNQCLSA-N 1 0 283.416 0.434 10 0 CCAERO C[NH2+][C@@H](C)CNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000261771635 290804297 /nfs/dbraw/zinc/80/42/97/290804297.db2.gz PITOGKKWJCHOLO-QWRGUYRKSA-N 1 0 267.373 0.502 10 0 CCAERO CC(C)C[C@H](CNC(=O)C1=NNC(=O)CC1)[NH+](C)C ZINC000040435791 136753428 /nfs/dbraw/zinc/75/34/28/136753428.db2.gz ZZRZPGDJLWHTDE-SNVBAGLBSA-N 1 0 268.361 0.345 10 0 CCAERO C[C@H](NC(=O)[C@H]1CCC[C@@H]1[NH3+])C(=O)N1CCCCC1 ZINC000085366244 136794283 /nfs/dbraw/zinc/79/42/83/136794283.db2.gz PGJSIVQXDVGJPK-SRVKXCTJSA-N 1 0 267.373 0.631 10 0 CCAERO CCc1nc2n(n1)C[C@H](NC(=O)C[NH+](CC)CC)CC2 ZINC000114865475 136816948 /nfs/dbraw/zinc/81/69/48/136816948.db2.gz STBZZLJKUIKOTI-LLVKDONJSA-N 1 0 279.388 0.613 10 0 CCAERO C[C@@H]([NH3+])CCNC(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000178657276 136880041 /nfs/dbraw/zinc/88/00/41/136880041.db2.gz OEMNRQREEGUZJV-SECBINFHSA-N 1 0 277.303 0.874 10 0 CCAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCNC(N)=O ZINC000246462656 136979780 /nfs/dbraw/zinc/97/97/80/136979780.db2.gz AISBTRKPSDRYJR-QWRGUYRKSA-N 1 0 268.361 0.130 10 0 CCAERO COC(=O)[C@@H](C)C[N@H+](C)C[C@@H](O)COC(C)(C)C ZINC000249744719 137000525 /nfs/dbraw/zinc/00/05/25/137000525.db2.gz ZASWBIDRSVKAGK-WDEREUQCSA-N 1 0 261.362 0.903 10 0 CCAERO O=C([C@@H]1CNC(=O)C1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252725347 137003706 /nfs/dbraw/zinc/00/37/06/137003706.db2.gz ZZVIJQNVMWXWFS-SDDRHHMPSA-N 1 0 265.357 0.113 10 0 CCAERO C[C@@H]1OCCC[C@H]1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000253351854 137004962 /nfs/dbraw/zinc/00/49/62/137004962.db2.gz MNEHEKUEAOQPQU-DMDPSCGWSA-N 1 0 258.362 0.230 10 0 CCAERO CCCS(=O)(=O)CCN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261544382 137007168 /nfs/dbraw/zinc/00/71/68/137007168.db2.gz DWPQSJCSHDTZLX-QJPTWQEYSA-N 1 0 260.403 0.480 10 0 CCAERO O=C(NCC1(O)C[NH2+]C1)Nc1cccc(Cl)c1 ZINC000261555819 137008013 /nfs/dbraw/zinc/00/80/13/137008013.db2.gz QCAOQRNAXDUMPO-UHFFFAOYSA-N 1 0 255.705 0.796 10 0 CCAERO CC1(C)CN(CCN2C(=O)CCC2=O)CC[C@H]1[NH3+] ZINC000261563926 137008321 /nfs/dbraw/zinc/00/83/21/137008321.db2.gz HBICITYOHWKBSW-SNVBAGLBSA-N 1 0 253.346 0.195 10 0 CCAERO CC1(C)CN(S(=O)(=O)C[C@@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000261576702 137009833 /nfs/dbraw/zinc/00/98/33/137009833.db2.gz NVCVMUQQYYXGOK-QWRGUYRKSA-N 1 0 276.402 0.554 10 0 CCAERO CC1(C)CN(S(=O)(=O)c2cnc3n2CCC3)CC[C@H]1[NH3+] ZINC000261637543 137013460 /nfs/dbraw/zinc/01/34/60/137013460.db2.gz FRFIXKGGSSPYBN-SNVBAGLBSA-N 1 0 298.412 0.577 10 0 CCAERO C[NH2+][C@@H](C)CNC(=O)CCS(=O)(=O)c1ccc(C)cc1 ZINC000261651276 137014082 /nfs/dbraw/zinc/01/40/82/137014082.db2.gz FCNOJKJQPFURBN-LBPRGKRZSA-N 1 0 298.408 0.883 10 0 CCAERO Cc1cc(Cl)ccc1OCC(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262334628 137039075 /nfs/dbraw/zinc/03/90/75/137039075.db2.gz SMAZQVUAMVVOQR-PWSUYJOCSA-N 1 0 298.770 0.724 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(Cl)cc1 ZINC000262371285 137040869 /nfs/dbraw/zinc/04/08/69/137040869.db2.gz WCWRAXLPOHJEKS-ONGXEEELSA-N 1 0 254.717 0.650 10 0 CCAERO CO[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@H]1O)c1ccccc1 ZINC000262387961 137041402 /nfs/dbraw/zinc/04/14/02/137041402.db2.gz XOOHBCXIFBLJQK-XQQFMLRXSA-N 1 0 264.325 0.071 10 0 CCAERO CSc1ccc(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000262489294 137045025 /nfs/dbraw/zinc/04/50/25/137045025.db2.gz JALKTAVRXYXARU-PWSUYJOCSA-N 1 0 266.366 0.748 10 0 CCAERO C[C@H](C(=O)NC[C@@H](O)c1cccc(F)c1)C1C[NH2+]C1 ZINC000262525820 137045975 /nfs/dbraw/zinc/04/59/75/137045975.db2.gz LIILXUPLRBFBDU-TVQRCGJNSA-N 1 0 266.316 0.831 10 0 CCAERO C[C@H]([NH3+])C(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000262531052 137046010 /nfs/dbraw/zinc/04/60/10/137046010.db2.gz IGIBARCTSPCEBF-FPMFFAJLSA-N 1 0 278.352 0.685 10 0 CCAERO CCC[C@@H](NC(N)=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000262580401 137047341 /nfs/dbraw/zinc/04/73/41/137047341.db2.gz LRJICUVCQYHPMV-OUAUKWLOSA-N 1 0 270.377 0.409 10 0 CCAERO CO[C@@H](C[NH3+])CC(=O)NC[C@@H](O)c1ccc(Cl)cc1 ZINC000262812641 137053796 /nfs/dbraw/zinc/05/37/96/137053796.db2.gz FZNSWIZXMBUWOX-VXGBXAGGSA-N 1 0 286.759 0.853 10 0 CCAERO C[C@@H]1CCN(C(=O)Cc2ccc(N)cn2)[C@@H](C[NH3+])C1 ZINC000261823234 137021619 /nfs/dbraw/zinc/02/16/19/137021619.db2.gz OHQWZMOZLQJQJW-ZWNOBZJWSA-N 1 0 262.357 0.792 10 0 CCAERO Cc1cc(CS(=O)(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)on1 ZINC000261829648 137021913 /nfs/dbraw/zinc/02/19/13/137021913.db2.gz PXDKGXORZLNZTF-LLVKDONJSA-N 1 0 287.385 0.872 10 0 CCAERO C[C@H]([NH3+])CC(=O)NCc1ccc(OCCO)cc1 ZINC000261844311 137022660 /nfs/dbraw/zinc/02/26/60/137022660.db2.gz OEVLWHKPTJTNMI-JTQLQIEISA-N 1 0 252.314 0.411 10 0 CCAERO Cn1cc([C@@H]2CCCN2C(=O)[C@@H]2CC[C@H](C[NH3+])O2)cn1 ZINC000261899299 137024488 /nfs/dbraw/zinc/02/44/88/137024488.db2.gz WJJXWTSEXQWBSB-AGIUHOORSA-N 1 0 278.356 0.590 10 0 CCAERO C[C@H]1CCN(C(=O)CCN2C(=O)CCC2=O)[C@H](C[NH3+])C1 ZINC000261901223 137025281 /nfs/dbraw/zinc/02/52/81/137025281.db2.gz 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296.367 0.382 10 0 CCAERO C[C@@H]1CCc2nc(CNC[C@@H]3C[NH2+]C[C@H]3O)sc2C1 ZINC000263270598 137062224 /nfs/dbraw/zinc/06/22/24/137062224.db2.gz SBXMWLUHAFHLSW-JFGNBEQYSA-N 1 0 281.425 0.938 10 0 CCAERO CN(C)c1ccc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)cn1 ZINC000263275181 137062479 /nfs/dbraw/zinc/06/24/79/137062479.db2.gz STDWJXHZKFLQMB-NSHDSACASA-N 1 0 288.355 0.774 10 0 CCAERO Cn1cc(CNC[C@H]2C[NH2+]C[C@H]2O)c(-c2ccccc2)n1 ZINC000263283896 137062600 /nfs/dbraw/zinc/06/26/00/137062600.db2.gz USDDEJFRPBLMIH-DZGCQCFKSA-N 1 0 286.379 0.757 10 0 CCAERO C[C@@H](CNC(=O)C1C[NH2+]C1)N1CCc2sccc2C1 ZINC000263298964 137063241 /nfs/dbraw/zinc/06/32/41/137063241.db2.gz NAKWNIADNWRTDK-JTQLQIEISA-N 1 0 279.409 0.830 10 0 CCAERO O=C(N[C@@H]1CCCN(c2ccccc2F)C1=O)C1C[NH2+]C1 ZINC000263300150 137063510 /nfs/dbraw/zinc/06/35/10/137063510.db2.gz NIWJIGXBUOKOFN-GFCCVEGCSA-N 1 0 291.326 0.657 10 0 CCAERO CNS(=O)(=O)CC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000309650506 137070927 /nfs/dbraw/zinc/07/09/27/137070927.db2.gz 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348149046 /nfs/dbraw/zinc/14/90/46/348149046.db2.gz CRPCSEZDTZRRFH-LLVKDONJSA-N 1 0 262.309 0.856 10 0 CCAERO CC(C)Oc1ccccc1N1CCN(C[C@@H](O)C[NH3+])CC1 ZINC000034420956 348149769 /nfs/dbraw/zinc/14/97/69/348149769.db2.gz ZODFWRZKZYSGPT-AWEZNQCLSA-N 1 0 293.411 0.915 10 0 CCAERO Cc1ccc([C@H](C)[NH2+]C[C@H](O)CN2CCOCC2)o1 ZINC000038097648 348227083 /nfs/dbraw/zinc/22/70/83/348227083.db2.gz UOBHOQFNVBNJEQ-STQMWFEESA-N 1 0 268.357 0.932 10 0 CCAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccc(C(N)=O)c(Cl)c2)C1 ZINC000040633728 348240226 /nfs/dbraw/zinc/24/02/26/348240226.db2.gz PYAGTBOHXMLFKL-LDYMZIIASA-N 1 0 297.742 0.754 10 0 CCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H](c2ccco2)N(C)C)C1 ZINC000040805985 348242349 /nfs/dbraw/zinc/24/23/49/348242349.db2.gz TUDZNAQMHYCSMZ-TUAOUCFPSA-N 1 0 281.356 0.375 10 0 CCAERO COC(=O)[C@H](NC(=O)C1CCC([NH3+])CC1)C(C)C ZINC000040438708 348233776 /nfs/dbraw/zinc/23/37/76/348233776.db2.gz JAFRZIYYOACSFY-VQXHTEKXSA-N 1 0 256.346 0.818 10 0 CCAERO O=C(NCc1ccc(-c2cc[nH]n2)cc1)[C@H]1C[NH2+]CCO1 ZINC000043800544 348314909 /nfs/dbraw/zinc/31/49/09/348314909.db2.gz CIIJVROGHCNHGL-CQSZACIVSA-N 1 0 286.335 0.681 10 0 CCAERO O=C(NCc1ccc(-c2cc[nH]n2)cc1)[C@@H]1C[NH2+]CCO1 ZINC000043800542 348315235 /nfs/dbraw/zinc/31/52/35/348315235.db2.gz CIIJVROGHCNHGL-AWEZNQCLSA-N 1 0 286.335 0.681 10 0 CCAERO CC[C@@H]1CN(C[C@](C)(NC)C(=O)OC)CC[N@@H+]1C ZINC000104136051 185905175 /nfs/dbraw/zinc/90/51/75/185905175.db2.gz RAZRQRNTPQZJLO-YPMHNXCESA-N 1 0 257.378 0.164 10 0 CCAERO CCC1CCC(NC(=O)C(=O)N2CC[NH2+]CC2)CC1 ZINC000049124363 348442634 /nfs/dbraw/zinc/44/26/34/348442634.db2.gz NWOIAGBDRAYCQG-UHFFFAOYSA-N 1 0 267.373 0.503 10 0 CCAERO O=C(CC[C@H]1CCC[NH2+]C1)N[C@@H]1CCCNC1=O ZINC000050397727 348474952 /nfs/dbraw/zinc/47/49/52/348474952.db2.gz OOBBWYGOJBQEHL-GHMZBOCLSA-N 1 0 253.346 0.161 10 0 CCAERO C[NH2+][C@H](C)C(=O)NCc1ccccc1CN1CCOCC1 ZINC000054076292 348541547 /nfs/dbraw/zinc/54/15/47/348541547.db2.gz RUONRYAVKWOSIB-CYBMUJFWSA-N 1 0 291.395 0.743 10 0 CCAERO C[C@@H](Cn1cccn1)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054291437 348548050 /nfs/dbraw/zinc/54/80/50/348548050.db2.gz JCDLGYPSLPDWAD-RYUDHWBXSA-N 1 0 250.346 0.778 10 0 CCAERO CC(C)CN(CC(N)=O)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054292044 348548053 /nfs/dbraw/zinc/54/80/53/348548053.db2.gz MPUKTVJIWMLHLM-LLVKDONJSA-N 1 0 255.362 0.346 10 0 CCAERO COC(=O)CCCN(C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307984 348549638 /nfs/dbraw/zinc/54/96/38/348549638.db2.gz IPIJZZIINGEFOV-LLVKDONJSA-N 1 0 256.346 0.788 10 0 CCAERO [NH2+]=C(NN1CCOCC1)[C@@H]1COc2ccccc2O1 ZINC000053275876 348523938 /nfs/dbraw/zinc/52/39/38/348523938.db2.gz KSMHWVNCUQXIKB-LBPRGKRZSA-N 1 0 263.297 0.640 10 0 CCAERO C[NH2+]CCN(C)C(=O)[C@@H]1CCCCN1C(=O)[C@H]1CCCO1 ZINC000120685817 350000237 /nfs/dbraw/zinc/00/02/37/350000237.db2.gz HLODXABPANIMPH-QWHCGFSZSA-N 1 0 297.399 0.224 10 0 CCAERO CCC(=O)N1CCCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000062115522 348664966 /nfs/dbraw/zinc/66/49/66/348664966.db2.gz UKRDAUXKNDIKNY-NSHDSACASA-N 1 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/nfs/dbraw/zinc/94/75/48/348947548.db2.gz DJWSMRTYYAZZQU-QWRGUYRKSA-N 1 0 255.362 0.805 10 0 CCAERO C[NH2+]Cc1ccccc1Sc1n[nH]c(=O)n1C ZINC000104288668 185956153 /nfs/dbraw/zinc/95/61/53/185956153.db2.gz SUBKWOHAAZBMMR-UHFFFAOYSA-N 1 0 250.327 0.979 10 0 CCAERO OCCC[C@H]1CCC[N@@H+]1CCCN1CCOCC1 ZINC000075684618 349046766 /nfs/dbraw/zinc/04/67/66/349046766.db2.gz AVVDLEOYAMJWEV-CQSZACIVSA-N 1 0 256.390 0.946 10 0 CCAERO C[C@H](NC(=O)NC[C@@H]1CC[NH2+]C1)C(=O)N1CCCC[C@@H]1C ZINC000333137007 299159530 /nfs/dbraw/zinc/15/95/30/299159530.db2.gz CNAWIJBTDUXNMI-RWMBFGLXSA-N 1 0 296.415 0.685 10 0 CCAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1CCOCCO ZINC000076007919 349063437 /nfs/dbraw/zinc/06/34/37/349063437.db2.gz OENPRUQFPLHVGF-LBPRGKRZSA-N 1 0 288.388 0.984 10 0 CCAERO C[C@]1(C(=O)N2CCN(Cc3ccncc3)CC2)CCC[NH2+]1 ZINC000079516553 349181596 /nfs/dbraw/zinc/18/15/96/349181596.db2.gz SODXHVZEBDTSJZ-MRXNPFEDSA-N 1 0 288.395 0.868 10 0 CCAERO CC(C)(CNC(=O)N1CCO[C@H](CO)C1)[NH+]1CCCCC1 ZINC000078830855 349155758 /nfs/dbraw/zinc/15/57/58/349155758.db2.gz XWIWPUBSIVPUKM-ZDUSSCGKSA-N 1 0 299.415 0.654 10 0 CCAERO CCCNC(=O)CNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000079268528 349172249 /nfs/dbraw/zinc/17/22/49/349172249.db2.gz OQSIWEAJUDFYRE-GFCCVEGCSA-N 1 0 286.420 0.788 10 0 CCAERO CC(C)S(=O)(=O)CCN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261663562 535093980 /nfs/dbraw/zinc/09/39/80/535093980.db2.gz GZMIQZFZKKBUKV-AWEZNQCLSA-N 1 0 297.424 0.851 10 0 CCAERO CC1CC[NH+](CCNC(=O)N2CCO[C@@H](CO)C2)CC1 ZINC000408380299 137876085 /nfs/dbraw/zinc/87/60/85/137876085.db2.gz XEONZPCDBANGAY-CYBMUJFWSA-N 1 0 285.388 0.121 10 0 CCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CN(C)CCO1 ZINC000081292770 349255323 /nfs/dbraw/zinc/25/53/23/349255323.db2.gz XIUNOWWSWINOGJ-OLZOCXBDSA-N 1 0 271.405 0.410 10 0 CCAERO CN(c1ccc(S(N)(=O)=O)cc1)[C@H]1CCC[NH2+]C1 ZINC000104361586 185983692 /nfs/dbraw/zinc/98/36/92/185983692.db2.gz VHSLBYDMPAQQCA-NSHDSACASA-N 1 0 269.370 0.522 10 0 CCAERO O=C(N[C@H]1CCCNC1=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000087619098 349352526 /nfs/dbraw/zinc/35/25/26/349352526.db2.gz VHBNRJYMZUQQJV-STQMWFEESA-N 1 0 273.336 0.268 10 0 CCAERO C[C@@H]1COC[C@H](C)[N@H+]1CCC(=O)N1CCOCC1 ZINC000120963186 350015028 /nfs/dbraw/zinc/01/50/28/350015028.db2.gz ZUSBKTSPDYIQJV-TXEJJXNPSA-N 1 0 256.346 0.345 10 0 CCAERO COc1c(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c(C)nn1C ZINC000121036061 350018750 /nfs/dbraw/zinc/01/87/50/350018750.db2.gz ATWOZAYSCMGKJR-ZDUSSCGKSA-N 1 0 294.399 0.644 10 0 CCAERO Cc1nc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)no1 ZINC000123659481 350080013 /nfs/dbraw/zinc/08/00/13/350080013.db2.gz SFYACYNAJZJLHL-WPRPVWTQSA-N 1 0 250.302 0.687 10 0 CCAERO CC(=O)N[C@@H]1CCCN(CN2CC(C)(C)OC2=O)C1 ZINC000123789815 350082662 /nfs/dbraw/zinc/08/26/62/350082662.db2.gz ZTKVGXZWRSSLRP-LLVKDONJSA-N 1 0 269.345 0.775 10 0 CCAERO CCCC(=O)NCC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000104532145 186008927 /nfs/dbraw/zinc/00/89/27/186008927.db2.gz QYYKNIMBHZQBDJ-ZDUSSCGKSA-N 1 0 299.415 0.472 10 0 CCAERO C[C@H](C[NH3+])N(C)c1ncc(I)cn1 ZINC000126424026 350146420 /nfs/dbraw/zinc/14/64/20/350146420.db2.gz AWGUQGKUNQGPDQ-ZCFIWIBFSA-N 1 0 292.124 0.865 10 0 CCAERO Cc1nc(CN(C)C(=O)C[C@@H]2C[NH2+]CCO2)cs1 ZINC000091311251 180132798 /nfs/dbraw/zinc/13/27/98/180132798.db2.gz MXVVALREXIMKNQ-LLVKDONJSA-N 1 0 269.370 0.788 10 0 CCAERO CCC[C@H](C(=O)NCCCNC(=O)C(C)C)[NH+](C)C ZINC000127844337 350179973 /nfs/dbraw/zinc/17/99/73/350179973.db2.gz UWXGWOUAACCSNK-GFCCVEGCSA-N 1 0 271.405 0.995 10 0 CCAERO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1)NC(=O)NC1CC1 ZINC000128523756 350194782 /nfs/dbraw/zinc/19/47/82/350194782.db2.gz WZRKTVJLMJYHGQ-XHDPSFHLSA-N 1 0 295.383 0.602 10 0 CCAERO [NH3+]C[C@@H]1CCCN1Cc1nnnn1Cc1ccccc1 ZINC000128200197 350187703 /nfs/dbraw/zinc/18/77/03/350187703.db2.gz CUFBGQJJIWSYTK-ZDUSSCGKSA-N 1 0 272.356 0.645 10 0 CCAERO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCNC(=O)CC1 ZINC000105182024 186044313 /nfs/dbraw/zinc/04/43/13/186044313.db2.gz RGACXOXDGFLMLP-CHWSQXEVSA-N 1 0 296.415 0.638 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CCN2CCOCC2)C1 ZINC000105174355 186044429 /nfs/dbraw/zinc/04/44/29/186044429.db2.gz GQRLNADJBQITPU-CQSZACIVSA-N 1 0 298.431 0.444 10 0 CCAERO Cc1cc(CNC(=O)C(C)(C)N2CC[NH2+]CC2)no1 ZINC000131268711 350270205 /nfs/dbraw/zinc/27/02/05/350270205.db2.gz QRKWTPQTRQHWIT-UHFFFAOYSA-N 1 0 266.345 0.283 10 0 CCAERO C[C@@H]1CC[C@@H](C(=O)NCC2CC[NH+](CCO)CC2)O1 ZINC000132969797 350321246 /nfs/dbraw/zinc/32/12/46/350321246.db2.gz HTPZCXVMNATTBX-YPMHNXCESA-N 1 0 270.373 0.374 10 0 CCAERO Cc1ccc([C@H]2CN(C(=O)[C@H]3CN(C)CCO3)CCO2)o1 ZINC000134166528 350356079 /nfs/dbraw/zinc/35/60/79/350356079.db2.gz LSACIMMHPVHTTG-ZIAGYGMSSA-N 1 0 294.351 0.819 10 0 CCAERO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)NCC(F)(F)F ZINC000134270067 350359068 /nfs/dbraw/zinc/35/90/68/350359068.db2.gz WZVITBLUZVQXIO-BDAKNGLRSA-N 1 0 281.278 0.711 10 0 CCAERO CCOC(=O)c1cnc(N2CCC[C@H]2C[NH3+])nc1C ZINC000134319045 350360809 /nfs/dbraw/zinc/36/08/09/350360809.db2.gz HEPUNZMNYYABDV-JTQLQIEISA-N 1 0 264.329 0.889 10 0 CCAERO CCN1CCO[C@H](C[NH2+]C2CCN(C(C)=O)CC2)C1 ZINC000134441042 350364544 /nfs/dbraw/zinc/36/45/44/350364544.db2.gz IPXKLLXPJUYYOX-CQSZACIVSA-N 1 0 269.389 0.308 10 0 CCAERO CCN1CCO[C@H](C[NH2+]Cc2c(C)nn(C)c2OC)C1 ZINC000134439328 350364660 /nfs/dbraw/zinc/36/46/60/350364660.db2.gz FMPSVIOZEXVEOA-GFCCVEGCSA-N 1 0 282.388 0.547 10 0 CCAERO C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@]2(C)CCCO2)CCO1 ZINC000133315348 350331601 /nfs/dbraw/zinc/33/16/01/350331601.db2.gz INWXZPIBNZRQLI-TZMCWYRMSA-N 1 0 285.388 0.528 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N1CCOCC1 ZINC000135581290 350402878 /nfs/dbraw/zinc/40/28/78/350402878.db2.gz FKUXSTJIHXXTEN-GFCCVEGCSA-N 1 0 255.362 0.855 10 0 CCAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000105871927 186080419 /nfs/dbraw/zinc/08/04/19/186080419.db2.gz NFZAGHNEVUJNPA-WDEREUQCSA-N 1 0 279.388 0.876 10 0 CCAERO COC(=O)[C@H]1CCCCN1C(=O)C[C@H]([NH3+])C(C)C ZINC000136383687 350421529 /nfs/dbraw/zinc/42/15/29/350421529.db2.gz GEOJAAIEPITUTD-WDEREUQCSA-N 1 0 256.346 0.914 10 0 CCAERO CCOCC[N@@H+]1CCN(CCn2cccn2)C[C@@H]1C ZINC000105835536 186076930 /nfs/dbraw/zinc/07/69/30/186076930.db2.gz ZTMIUHAHEDPRFL-AWEZNQCLSA-N 1 0 266.389 0.926 10 0 CCAERO CNC(=O)C[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000105919938 186089287 /nfs/dbraw/zinc/08/92/87/186089287.db2.gz RTYOZSQCXGVIOZ-LBPRGKRZSA-N 1 0 265.361 0.353 10 0 CCAERO Cc1nnc(CN2CCO[C@H](C[NH+](C)C)C2)n1C1CC1 ZINC000105924299 186091248 /nfs/dbraw/zinc/09/12/48/186091248.db2.gz YNUWMPKMYKVVRC-CYBMUJFWSA-N 1 0 279.388 0.684 10 0 CCAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)N1CCC(C)CC1 ZINC000105933256 186092278 /nfs/dbraw/zinc/09/22/78/186092278.db2.gz NBHMSIURWVRMEX-KBPBESRZSA-N 1 0 283.416 0.554 10 0 CCAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)NC(C)(C)C ZINC000105933445 186092837 /nfs/dbraw/zinc/09/28/37/186092837.db2.gz FDCQSYYTKGJFCG-GHMZBOCLSA-N 1 0 257.378 0.210 10 0 CCAERO CC(C)(C)OC(=O)N[C@H]1CCS(=O)(=O)C[C@@H]1[NH3+] ZINC000142584653 350457032 /nfs/dbraw/zinc/45/70/32/350457032.db2.gz POPSAHJDHHOFHE-YUMQZZPRSA-N 1 0 264.347 0.026 10 0 CCAERO CC[N@H+](CC(=O)N[C@@H]1CCc2ncnn2C1)C1CC1 ZINC000152536601 350532589 /nfs/dbraw/zinc/53/25/89/350532589.db2.gz NGBSJDUABIJAGU-SNVBAGLBSA-N 1 0 263.345 0.193 10 0 CCAERO C[C@H](CNC(=O)[C@H]1CC[C@@H](C)O1)N1CC[NH+](C)CC1 ZINC000154684611 350596969 /nfs/dbraw/zinc/59/69/69/350596969.db2.gz NTPPSBIALCIHSQ-JHJVBQTASA-N 1 0 269.389 0.306 10 0 CCAERO COC(=O)NCCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000155437532 350618440 /nfs/dbraw/zinc/61/84/40/350618440.db2.gz CRAAWPYYSRBCPU-MNOVXSKESA-N 1 0 271.361 0.577 10 0 CCAERO CCC[C@@H](C(=O)NC[C@]1(CCO)CCOC1)[NH+](C)C ZINC000155575494 350619682 /nfs/dbraw/zinc/61/96/82/350619682.db2.gz QMBNOVONIMOGGC-JSGCOSHPSA-N 1 0 272.389 0.622 10 0 CCAERO CCCc1cc(=O)[nH]c([C@H](C)N2CC[NH2+]CC2)n1 ZINC000110460857 186296883 /nfs/dbraw/zinc/29/68/83/186296883.db2.gz WTVPACMZHIYTJY-JTQLQIEISA-N 1 0 250.346 0.689 10 0 CCAERO CCC[C@@H](C(=O)NCC(C)(C)C(=O)NCC)[NH+](C)C ZINC000162621867 350748343 /nfs/dbraw/zinc/74/83/43/350748343.db2.gz DEPNRQFJGAAISS-NSHDSACASA-N 1 0 271.405 0.995 10 0 CCAERO CCC[C@@H](C(=O)N(C)CCN1CCOCC1)[NH+](C)C ZINC000161961423 350732798 /nfs/dbraw/zinc/73/27/98/350732798.db2.gz GIYQJXISZVZDEG-ZDUSSCGKSA-N 1 0 271.405 0.507 10 0 CCAERO C[C@H]([NH3+])[C@H]1CCN(CN2C(=O)c3ccccc3C2=O)C1 ZINC000169239075 350836706 /nfs/dbraw/zinc/83/67/06/350836706.db2.gz APSOWCVHNWJPKG-QWRGUYRKSA-N 1 0 273.336 0.909 10 0 CCAERO Cc1cnc(C(=O)N2C[C@@H](CO)C3(C2)CC[NH2+]CC3)cn1 ZINC000169789437 350839588 /nfs/dbraw/zinc/83/95/88/350839588.db2.gz HFWQTAWSLZDXBP-LBPRGKRZSA-N 1 0 290.367 0.219 10 0 CCAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)nn2)C1 ZINC000170860141 350868636 /nfs/dbraw/zinc/86/86/36/350868636.db2.gz JXIODZZWSSEVFZ-GFCCVEGCSA-N 1 0 289.383 0.853 10 0 CCAERO C[NH+](C)[C@@H]1CCN(C(=O)NCCc2ccccn2)C1 ZINC000170861837 350868835 /nfs/dbraw/zinc/86/88/35/350868835.db2.gz SBZLAJSXYLPMPF-CYBMUJFWSA-N 1 0 262.357 0.970 10 0 CCAERO C[NH+](C)[C@H]1CCN(C(=O)NC2CCC(O)CC2)C1 ZINC000170861833 350869009 /nfs/dbraw/zinc/86/90/09/350869009.db2.gz XSIMHNJJIJZOMN-CXQJBGSLSA-N 1 0 255.362 0.635 10 0 CCAERO O=C(NCc1cccnc1)NCC1CC[NH+](CCO)CC1 ZINC000171587228 350918651 /nfs/dbraw/zinc/91/86/51/350918651.db2.gz OIRMTZBFSXVJCH-UHFFFAOYSA-N 1 0 292.383 0.585 10 0 CCAERO CC(C)N(C)S(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171770764 350933559 /nfs/dbraw/zinc/93/35/59/350933559.db2.gz PARCSVWIBUFOIL-LLVKDONJSA-N 1 0 261.391 0.351 10 0 CCAERO NS(=O)(=O)CCC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000170914515 350873188 /nfs/dbraw/zinc/87/31/88/350873188.db2.gz SARNWLHUAGMOOR-UHFFFAOYSA-N 1 0 272.374 0.268 10 0 CCAERO NS(=O)(=O)CCC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000170914533 350873291 /nfs/dbraw/zinc/87/32/91/350873291.db2.gz BPCRLSHDAAYTSE-LBPRGKRZSA-N 1 0 298.412 0.494 10 0 CCAERO CCOC(=O)CN(C)C(=O)CN1CCC[N@@H+](C2CC2)CC1 ZINC000172237822 350969708 /nfs/dbraw/zinc/96/97/08/350969708.db2.gz CVPJQRFRBMAIOX-UHFFFAOYSA-N 1 0 297.399 0.178 10 0 CCAERO O=C(NCCCN1CCOC1=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171907035 350942110 /nfs/dbraw/zinc/94/21/10/350942110.db2.gz CVFJYMBPSHYJLB-GFCCVEGCSA-N 1 0 296.371 0.318 10 0 CCAERO CN(C(=O)CN1CC[N@@H+]2CCC[C@@H]2C1)c1nccs1 ZINC000171930723 350944735 /nfs/dbraw/zinc/94/47/35/350944735.db2.gz NUWDWMVVPIIPFC-LLVKDONJSA-N 1 0 280.397 0.886 10 0 CCAERO COC[C@@H](O)C[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000171973270 350948577 /nfs/dbraw/zinc/94/85/77/350948577.db2.gz ZSIUPYGIEURRCM-ZDUSSCGKSA-N 1 0 280.372 0.385 10 0 CCAERO O=S(=O)(CC1CCOCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000173135015 351027933 /nfs/dbraw/zinc/02/79/33/351027933.db2.gz ZHBNNQKJHGCTSN-ZDUSSCGKSA-N 1 0 288.413 0.523 10 0 CCAERO COCc1cc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)no1 ZINC000173523125 351042523 /nfs/dbraw/zinc/04/25/23/351042523.db2.gz YJQVJKUQQBSIFN-NSHDSACASA-N 1 0 283.328 0.224 10 0 CCAERO O=C(CC[N@@H+]1CC[C@H](N2CCOCC2)C1)NC1CCCC1 ZINC000173930215 351062230 /nfs/dbraw/zinc/06/22/30/351062230.db2.gz CFQIAVFGKYAKBP-HNNXBMFYSA-N 1 0 295.427 0.842 10 0 CCAERO CNC(=O)NC(=O)[C@@H](C)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172805534 351011529 /nfs/dbraw/zinc/01/15/29/351011529.db2.gz IVUGUAPCXAZWMN-GHMZBOCLSA-N 1 0 268.361 0.001 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1nccnc1N ZINC000174998691 351114485 /nfs/dbraw/zinc/11/44/85/351114485.db2.gz VXMZZHUUVSDTDF-GHMZBOCLSA-N 1 0 275.356 0.758 10 0 CCAERO CCOC(=O)CN(C)C(=O)CN(C)C[C@@H]1CCC[N@@H+]1CC ZINC000175346693 351126526 /nfs/dbraw/zinc/12/65/26/351126526.db2.gz AHRVZNFAXCXQCN-ZDUSSCGKSA-N 1 0 299.415 0.424 10 0 CCAERO CC[C@H](O)C[NH+]1CCN(Cc2ccoc2C(=O)OC)CC1 ZINC000174071772 351068530 /nfs/dbraw/zinc/06/85/30/351068530.db2.gz ZIYQQWGONCXZPB-ZDUSSCGKSA-N 1 0 296.367 0.955 10 0 CCAERO CC(C)c1nnnn1CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000174235942 351075636 /nfs/dbraw/zinc/07/56/36/351075636.db2.gz RTQGYWDSACDPBF-NWDGAFQWSA-N 1 0 292.387 0.492 10 0 CCAERO C[NH+](C)C[C@H]1CN(C(=O)CC[C@H]2CCOC2)CCO1 ZINC000176093429 351157125 /nfs/dbraw/zinc/15/71/25/351157125.db2.gz 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FGLLJZVNRSKRLY-NWDGAFQWSA-N 1 0 252.362 0.687 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC1(C)COC1 ZINC000247524569 352419030 /nfs/dbraw/zinc/41/90/30/352419030.db2.gz WZAVUXZIIVTICW-RYUDHWBXSA-N 1 0 267.373 0.901 10 0 CCAERO Cn1ccc(N2CCC[C@H]([N@@H+]3CC[C@](C)(O)C3)C2=O)n1 ZINC000248332034 352434861 /nfs/dbraw/zinc/43/48/61/352434861.db2.gz FEHKWLYPYYJSJJ-FZMZJTMJSA-N 1 0 278.356 0.372 10 0 CCAERO O=C1O[C@H](C[N@H+]2C[C@@H](O)C[C@@H]2CO)CN1c1ccccc1 ZINC000248401171 352439022 /nfs/dbraw/zinc/43/90/22/352439022.db2.gz YXPBKIPMNQCQLO-HZSPNIEDSA-N 1 0 292.335 0.439 10 0 CCAERO CCC[C@H](C)NC(=O)[C@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000247165016 352401199 /nfs/dbraw/zinc/40/11/99/352401199.db2.gz MNUHSGIVZANIKM-AVGNSLFASA-N 1 0 271.405 0.600 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCN1C(=O)CCC1=O ZINC000247177551 352402240 /nfs/dbraw/zinc/40/22/40/352402240.db2.gz KVYDBJFOFDAQSI-NEPJUHHUSA-N 1 0 293.367 0.221 10 0 CCAERO CC(C)CCNC(=O)[C@H](C)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247177876 352402387 /nfs/dbraw/zinc/40/23/87/352402387.db2.gz NHTOLVSYSHVRFY-KBPBESRZSA-N 1 0 285.432 0.800 10 0 CCAERO COCCN1CC[N@H+](C[C@@H](O)COC(C)(C)C)C[C@@H]1C ZINC000247207009 352403588 /nfs/dbraw/zinc/40/35/88/352403588.db2.gz PKVUKXHPEPHNQJ-UONOGXRCSA-N 1 0 288.432 0.815 10 0 CCAERO CC(C)CNC(=O)NC(=O)[C@@H](C)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247221644 352404694 /nfs/dbraw/zinc/40/46/94/352404694.db2.gz QOJFYQNCFRVRHK-OLZOCXBDSA-N 1 0 296.415 0.637 10 0 CCAERO CCNC(=O)CCN1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000247248885 352405959 /nfs/dbraw/zinc/40/59/59/352405959.db2.gz TVLISGAGHMDVGS-STQMWFEESA-N 1 0 271.405 0.290 10 0 CCAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC000247241080 352406327 /nfs/dbraw/zinc/40/63/27/352406327.db2.gz ZYJFBMGOWPYXRF-LSDHHAIUSA-N 1 0 289.383 0.914 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1nccn(C)c1=O ZINC000248585030 352446737 /nfs/dbraw/zinc/44/67/37/352446737.db2.gz FYZCDFPYHLOGBY-QWRGUYRKSA-N 1 0 291.355 0.481 10 0 CCAERO COC(=O)C1(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000248651807 352452053 /nfs/dbraw/zinc/45/20/53/352452053.db2.gz SXSGFMOELVZGCO-WDEREUQCSA-N 1 0 268.357 0.785 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NCC1CC1 ZINC000249099519 352477920 /nfs/dbraw/zinc/47/79/20/352477920.db2.gz VZMASTOFPAHBNY-OLZOCXBDSA-N 1 0 279.384 0.598 10 0 CCAERO Nc1nc(Cl)cc(N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000249744678 352499876 /nfs/dbraw/zinc/49/98/76/352499876.db2.gz YZBUZWQWOFDPNE-QMMMGPOBSA-N 1 0 253.737 0.997 10 0 CCAERO CCOC(=O)C[C@@H](O)C[N@@H+]1CCC[C@H]1CCCO ZINC000250699383 352507239 /nfs/dbraw/zinc/50/72/39/352507239.db2.gz RZLRNIZXYWRTBC-NWDGAFQWSA-N 1 0 259.346 0.537 10 0 CCAERO CC[C@H]1CN(C(=O)[C@@H]2CCCO2)CC[N@@H+]1C[C@H](C)O ZINC000252735156 352524270 /nfs/dbraw/zinc/52/42/70/352524270.db2.gz JBLHOIKGZSEPLT-AVGNSLFASA-N 1 0 270.373 0.469 10 0 CCAERO CCN1CN(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1=O ZINC000253353493 352531160 /nfs/dbraw/zinc/53/11/60/352531160.db2.gz ZGADWUZYZOKCHT-VXGBXAGGSA-N 1 0 282.388 0.546 10 0 CCAERO COc1ccc([C@H]([NH3+])C[C@@H]([NH3+])C(=O)[O-])cc1OC ZINC000259127868 352556433 /nfs/dbraw/zinc/55/64/33/352556433.db2.gz ASFXACKXHVTOFU-RKDXNWHRSA-N 1 0 254.286 0.506 10 0 CCAERO CC(C)[C@@H](C)NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262033252 352571770 /nfs/dbraw/zinc/57/17/70/352571770.db2.gz XRSHSHROWCKLCP-RTXFEEFZSA-N 1 0 264.373 0.884 10 0 CCAERO Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H]1CN(C)CCO1 ZINC000091667074 282836587 /nfs/dbraw/zinc/83/65/87/282836587.db2.gz KLRKRZSGCFUOOY-DGCLKSJQSA-N 1 0 264.373 0.718 10 0 CCAERO C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[NH2+]CC1 ZINC000015042131 299193726 /nfs/dbraw/zinc/19/37/26/299193726.db2.gz XGQKYXVXKHPGEW-JTQLQIEISA-N 1 0 271.361 0.722 10 0 CCAERO CC[N@H+](CC(=O)NCCn1cc(C)cn1)C1CC1 ZINC000152757889 188042215 /nfs/dbraw/zinc/04/22/15/188042215.db2.gz YGGGLZNAEAUDHS-UHFFFAOYSA-N 1 0 250.346 0.792 10 0 CCAERO C[C@H]([NH3+])C(=O)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000157695742 188332889 /nfs/dbraw/zinc/33/28/89/188332889.db2.gz WQHGTDQIQBEQIQ-AXFHLTTASA-N 1 0 268.313 0.278 10 0 CCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1 ZINC000282305230 353412281 /nfs/dbraw/zinc/41/22/81/353412281.db2.gz KBAPQVFSGDHCAH-OBJOEFQTSA-N 1 0 278.352 0.683 10 0 CCAERO CNc1nc(C)cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000287407216 353644528 /nfs/dbraw/zinc/64/45/28/353644528.db2.gz FBMZCBCQQOUOIZ-NSHDSACASA-N 1 0 275.356 0.747 10 0 CCAERO COC[C@H](C)OC[C@H](O)CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000300285651 354062602 /nfs/dbraw/zinc/06/26/02/354062602.db2.gz SOLDLZUMZAYMNG-BYNSBNAKSA-N 1 0 286.416 0.567 10 0 CCAERO CN(CC(=O)NC[C@@H]1CCCO1)[C@H]1CCC[NH2+]CC1 ZINC000300280431 354062754 /nfs/dbraw/zinc/06/27/54/354062754.db2.gz TVBBZSBTJZJDFB-STQMWFEESA-N 1 0 269.389 0.356 10 0 CCAERO [NH3+][C@@H]1CC(=O)N(c2cncc(Br)c2)C1 ZINC000301002246 354068673 /nfs/dbraw/zinc/06/86/73/354068673.db2.gz WBJHVHKYDNDUNE-SSDOTTSWSA-N 1 0 256.103 0.908 10 0 CCAERO COc1cccc(CN2CCO[C@H]3C[NH2+]C[C@H]32)c1OC ZINC000299742208 354043802 /nfs/dbraw/zinc/04/38/02/354043802.db2.gz IREPPMAQVHVRTO-OCCSQVGLSA-N 1 0 278.352 0.876 10 0 CCAERO COCCC1(CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CCCC1 ZINC000161981425 188554332 /nfs/dbraw/zinc/55/43/32/188554332.db2.gz KZQOYMBBBCETAQ-RYUDHWBXSA-N 1 0 270.373 0.422 10 0 CCAERO Cc1cc(=O)n2nc(C[N@H+]3CC[C@H](C)[C@H](O)C3)sc2n1 ZINC000299907291 354056060 /nfs/dbraw/zinc/05/60/60/354056060.db2.gz RKNPCDZVSJKQAB-WCBMZHEXSA-N 1 0 294.380 0.662 10 0 CCAERO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2C[C@H](O)c1ccccc1 ZINC000300077176 354058161 /nfs/dbraw/zinc/05/81/61/354058161.db2.gz ZDPVYSAPWTWCSQ-MCIONIFRSA-N 1 0 260.337 0.930 10 0 CCAERO COC[C@H](C)OC[C@H](O)C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000300256534 354061227 /nfs/dbraw/zinc/06/12/27/354061227.db2.gz DAGTZWVIODCEPZ-WUHRBBMRSA-N 1 0 261.362 0.556 10 0 CCAERO O=C1CCCN1C[C@H](O)C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000304974406 354123810 /nfs/dbraw/zinc/12/38/10/354123810.db2.gz AUWRFHPZAGWCKG-OCCSQVGLSA-N 1 0 268.357 0.082 10 0 CCAERO C[C@@H]1[C@H]([NH3+])CCN1CN1C(=O)c2ccccc2C1=O ZINC000306454741 354175070 /nfs/dbraw/zinc/17/50/70/354175070.db2.gz PRFYTAQLWQHSKD-BXKDBHETSA-N 1 0 259.309 0.662 10 0 CCAERO NC(=[NH2+])N[C@@H](CO)c1ccccc1Br ZINC000306892859 354177267 /nfs/dbraw/zinc/17/72/67/354177267.db2.gz XTTVEQDKDOYYOL-QMMMGPOBSA-N 1 0 258.119 0.966 10 0 CCAERO O=S1(=O)CCCN1CC[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000328671464 202002222 /nfs/dbraw/zinc/00/22/22/202002222.db2.gz NJWDLQFQCFSKGY-NSHDSACASA-N 1 0 299.400 0.020 10 0 CCAERO Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000330089086 354292350 /nfs/dbraw/zinc/29/23/50/354292350.db2.gz VJLALYFJWJCCSS-OUCADQQQSA-N 1 0 292.383 0.660 10 0 CCAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1c[nH]nc1[C@H]1CCOC1 ZINC000330347723 354323110 /nfs/dbraw/zinc/32/31/10/354323110.db2.gz HXSYSBXNLHCRAO-NEPJUHHUSA-N 1 0 292.383 0.937 10 0 CCAERO Cc1nnsc1CNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000333630872 354766622 /nfs/dbraw/zinc/76/66/22/354766622.db2.gz SQJCUMHMEUYGPD-UHFFFAOYSA-N 1 0 269.374 0.740 10 0 CCAERO CN1CCO[C@H](CN(CC2CC2)C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000333671084 354773171 /nfs/dbraw/zinc/77/31/71/354773171.db2.gz NCSGHHQDTWMZLJ-KBPBESRZSA-N 1 0 296.415 0.101 10 0 CCAERO CN(CCn1cccn1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333750609 354787892 /nfs/dbraw/zinc/78/78/92/354787892.db2.gz YXZNFAKKAHGAEL-LBPRGKRZSA-N 1 0 265.361 0.667 10 0 CCAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CC[C@H](CCO)C1 ZINC000333804033 354797865 /nfs/dbraw/zinc/79/78/65/354797865.db2.gz IGXHTIQEFXGMFK-VXGBXAGGSA-N 1 0 255.362 0.542 10 0 CCAERO COCCOC1CN(C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333798028 354795820 /nfs/dbraw/zinc/79/58/20/354795820.db2.gz HIIMTAREXBZYGP-NSHDSACASA-N 1 0 271.361 0.185 10 0 CCAERO C[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCC[C@H]32)CC1 ZINC000334308821 354859257 /nfs/dbraw/zinc/85/92/57/354859257.db2.gz FFGGTEMPBZPUCN-ZYHUDNBSSA-N 1 0 265.357 0.208 10 0 CCAERO O=C(NC1C[NH2+]C1)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000335377640 354994806 /nfs/dbraw/zinc/99/48/06/354994806.db2.gz IOJTZMMFKJTQGD-INIZCTEOSA-N 1 0 287.363 0.842 10 0 CCAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CN1CSCC1=O ZINC000335468178 354998825 /nfs/dbraw/zinc/99/88/25/354998825.db2.gz YIBFTCBIGUJXAY-NEPJUHHUSA-N 1 0 297.424 0.605 10 0 CCAERO CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@H](CCO)C1 ZINC000336703980 355141902 /nfs/dbraw/zinc/14/19/02/355141902.db2.gz CDDGNDBZASFGHO-GFCCVEGCSA-N 1 0 263.403 0.904 10 0 CCAERO CNC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)C1 ZINC000341604423 355702843 /nfs/dbraw/zinc/70/28/43/355702843.db2.gz DBBRRPMKRNOMQM-FRRDWIJNSA-N 1 0 296.415 0.637 10 0 CCAERO CN(C)c1noc(CN2CC[C@H]3OCCN(C)[C@H]3C2)n1 ZINC000328867472 202088790 /nfs/dbraw/zinc/08/87/90/202088790.db2.gz CEZJWJAZJMLPAV-WDEREUQCSA-N 1 0 281.360 0.041 10 0 CCAERO CCCN(CCC)C(=O)CN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000420406410 283202648 /nfs/dbraw/zinc/20/26/48/283202648.db2.gz QUAIXLXLYXBXFE-QWHCGFSZSA-N 1 0 269.389 0.308 10 0 CCAERO O=S(=O)(CC[NH+]1CCCC1)N1C[C@@H]2CCC[C@H]21 ZINC000336343056 213192228 /nfs/dbraw/zinc/19/22/28/213192228.db2.gz AFZXNOPBCRCLKD-NWDGAFQWSA-N 1 0 258.387 0.896 10 0 CCAERO O=S(=O)(CC[NH+]1CCCC1)N1C[C@H]2CCC[C@H]21 ZINC000336343058 213191481 /nfs/dbraw/zinc/19/14/81/213191481.db2.gz AFZXNOPBCRCLKD-VXGBXAGGSA-N 1 0 258.387 0.896 10 0 CCAERO Cn1nccc1[C@@H]1OCC[C@H]1C[N@@H+]1C[C@@H](F)C[C@@H]1CO ZINC000329006051 202148752 /nfs/dbraw/zinc/14/87/52/202148752.db2.gz XRDAKXZMXPWAQJ-CIQGVGRVSA-N 1 0 283.347 0.902 10 0 CCAERO CO[C@H]1C[C@@H](C(=O)N2CCC[C@@H](n3cncn3)C2)[N@H+](C)C1 ZINC000329035871 202163434 /nfs/dbraw/zinc/16/34/34/202163434.db2.gz REAOWEPLTBOJLZ-AGIUHOORSA-N 1 0 293.371 0.161 10 0 CCAERO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cnc2ccccn2c1=O ZINC000366525212 357222720 /nfs/dbraw/zinc/22/27/20/357222720.db2.gz NFENHJARDSYJCS-UWVGGRQHSA-N 1 0 290.298 0.124 10 0 CCAERO O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1CCn2nccc21 ZINC000367497040 357272098 /nfs/dbraw/zinc/27/20/98/357272098.db2.gz JJQZASLOKBFRHT-CYBMUJFWSA-N 1 0 290.367 0.873 10 0 CCAERO CCCn1cc(C[NH2+][C@@H]2CCCN(CCO)C2)cn1 ZINC000384574832 357720397 /nfs/dbraw/zinc/72/03/97/357720397.db2.gz MLGJBDYLPFZVOX-CQSZACIVSA-N 1 0 266.389 0.839 10 0 CCAERO Cc1cc(CNC[C@@H](O)C[NH+]2CCCCC2)on1 ZINC000385884538 357728629 /nfs/dbraw/zinc/72/86/29/357728629.db2.gz CHIKYUMNOMFRHQ-GFCCVEGCSA-N 1 0 253.346 0.919 10 0 CCAERO COC(=O)c1cncc(N[C@H]2C[NH2+]CC[C@@H]2C)n1 ZINC000389732634 357737218 /nfs/dbraw/zinc/73/72/18/357737218.db2.gz RJOPGIODAVDCCW-IUCAKERBSA-N 1 0 250.302 0.673 10 0 CCAERO Cc1ccc(C(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)c(C)n1 ZINC000404023260 357813415 /nfs/dbraw/zinc/81/34/15/357813415.db2.gz UKRNFEJMHHEAPC-ZIAGYGMSSA-N 1 0 275.352 0.901 10 0 CCAERO CO[C@H](C)CCC(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404045969 357814053 /nfs/dbraw/zinc/81/40/53/357814053.db2.gz CPIJWCTXMSTEFJ-UTUOFQBUSA-N 1 0 256.346 0.391 10 0 CCAERO O=C(CN1CC[C@H]2OCC[NH2+][C@H]2C1)NC1CCCCC1 ZINC000404114505 357815788 /nfs/dbraw/zinc/81/57/88/357815788.db2.gz KGSBAILPRBDCGP-UONOGXRCSA-N 1 0 281.400 0.498 10 0 CCAERO CCn1ccnc1CNC1CC[NH+](CCO)CC1 ZINC000399262969 357782040 /nfs/dbraw/zinc/78/20/40/357782040.db2.gz QRPOQZJQHNOVEQ-UHFFFAOYSA-N 1 0 252.362 0.449 10 0 CCAERO C[C@@H]1C[NH+](CCC2CCN(C(=O)CO)CC2)C[C@@H](C)O1 ZINC000407999097 357859681 /nfs/dbraw/zinc/85/96/81/357859681.db2.gz UTQIZVMROWHKAM-CHWSQXEVSA-N 1 0 284.400 0.717 10 0 CCAERO CCc1nn(C)cc1C(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000408022685 357871698 /nfs/dbraw/zinc/87/16/98/357871698.db2.gz NEZLWSJPBCZCHN-KBPBESRZSA-N 1 0 292.383 0.528 10 0 CCAERO C[C@H](CN1CCCC1=O)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000408024891 357872980 /nfs/dbraw/zinc/87/29/80/357872980.db2.gz IWEWFDYTVRCVJQ-VXGBXAGGSA-N 1 0 282.388 0.343 10 0 CCAERO CCc1nnc([C@H]2CN(CC(C)(C)O)CCO2)o1 ZINC000408060993 357895705 /nfs/dbraw/zinc/89/57/05/357895705.db2.gz KJVPDLIWKDTBLJ-SECBINFHSA-N 1 0 255.318 0.776 10 0 CCAERO C[C@@H]1CC(=O)N[C@H](C(=O)N(C)CC[NH+]2CCCC2)C1 ZINC000408006301 357862802 /nfs/dbraw/zinc/86/28/02/357862802.db2.gz XPBVBGQWSSYQFW-RYUDHWBXSA-N 1 0 267.373 0.455 10 0 CCAERO NC(=O)N1CCC[C@H](C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)C1 ZINC000186543822 283300468 /nfs/dbraw/zinc/30/04/68/283300468.db2.gz AOURPIKWDPHVAP-NWDGAFQWSA-N 1 0 294.399 0.520 10 0 CCAERO CC[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C)CC[N@@H+]1C[C@H](C)O ZINC000408084187 357911770 /nfs/dbraw/zinc/91/17/70/357911770.db2.gz NKQTUQNJDZERCU-IGQOVBAYSA-N 1 0 284.400 0.715 10 0 CCAERO C[NH+](C)C[C@@H]1CN(C(=O)NC[C@]2(C)CCOC2)CCO1 ZINC000408182324 357957025 /nfs/dbraw/zinc/95/70/25/357957025.db2.gz JDHMYLDDLKRQKR-OCCSQVGLSA-N 1 0 285.388 0.385 10 0 CCAERO C[C@@H]1C[C@H](C(=O)N2CC[C@H]([NH+](C)C)C2)CC(=O)N1 ZINC000408202061 357967488 /nfs/dbraw/zinc/96/74/88/357967488.db2.gz HJHMOHCOIOVGPL-VWYCJHECSA-N 1 0 253.346 0.064 10 0 CCAERO CC[C@@H]1C[C@H](C(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC(=O)N1 ZINC000408201912 357967862 /nfs/dbraw/zinc/96/78/62/357967862.db2.gz GUMQQFBQXVCRHR-XQQFMLRXSA-N 1 0 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CNC(=O)[C@]1(C)CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333774515 283458540 /nfs/dbraw/zinc/45/85/40/283458540.db2.gz COOLTYHKKKLEQT-BXUZGUMPSA-N 1 0 282.388 0.296 10 0 CCAERO CCC[C@@H](C(=O)N1CCC[C@@]2(CNC(=O)C2)C1)[NH+](C)C ZINC000408035085 283466205 /nfs/dbraw/zinc/46/62/05/283466205.db2.gz WPSRZGIIGFWGMW-SWLSCSKDSA-N 1 0 281.400 0.845 10 0 CCAERO O=C([C@@H]1CCC(=O)N1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107667495 296004533 /nfs/dbraw/zinc/00/45/33/296004533.db2.gz LHLLPXCKZYFSQJ-STQMWFEESA-N 1 0 279.384 0.742 10 0 CCAERO CO[C@]1(C(=O)N2CC[NH2+][C@H](C(C)C)C2)CCOC1 ZINC000621157969 366659828 /nfs/dbraw/zinc/65/98/28/366659828.db2.gz FTTMPOQOSJZRIC-WCQYABFASA-N 1 0 256.346 0.248 10 0 CCAERO COC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000593911482 360207249 /nfs/dbraw/zinc/20/72/49/360207249.db2.gz HOOUIAORQAIWJY-NXEZZACHSA-N 1 0 290.310 0.643 10 0 CCAERO CNC(=O)NC(=O)CC[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178316036 189105519 /nfs/dbraw/zinc/10/55/19/189105519.db2.gz 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C[C@@H]1CN(C(=O)Cc2cn3ccccc3n2)C[C@@H]1[NH3+] ZINC000335515066 212200994 /nfs/dbraw/zinc/20/09/94/212200994.db2.gz GLXCZDJVICSAHB-PWSUYJOCSA-N 1 0 258.325 0.682 10 0 CCAERO C[C@H]1CN(C(=O)Cn2ccc(C(F)(F)F)n2)C[C@@H]1[NH3+] ZINC000335483573 212158744 /nfs/dbraw/zinc/15/87/44/212158744.db2.gz NVAJFKJKHRHERU-YUMQZZPRSA-N 1 0 276.262 0.708 10 0 CCAERO O=C([C@H]1CCNCC1(F)F)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000336509702 296124928 /nfs/dbraw/zinc/12/49/28/296124928.db2.gz KZLOCBDHZYHIIY-YPMHNXCESA-N 1 0 287.354 0.833 10 0 CCAERO O=C([C@H]1CNC(=O)C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000194525085 296136923 /nfs/dbraw/zinc/13/69/23/296136923.db2.gz IEPNGNOBHLQUCF-VXGBXAGGSA-N 1 0 265.357 0.209 10 0 CCAERO C[C@@H]1CN(C(=O)[C@]23CCC[C@H]2OCC3)C[C@H]1C[NH3+] ZINC000630094626 369952872 /nfs/dbraw/zinc/95/28/72/369952872.db2.gz VOOWFRNRMMKJSM-BYNQJWBRSA-N 1 0 252.358 0.999 10 0 CCAERO CCc1noc(CN2C[C@@H](OC)C[C@@]2(C)C[NH3+])n1 ZINC000630358616 370061319 /nfs/dbraw/zinc/06/13/19/370061319.db2.gz AYEAPZLJANLEGN-CABZTGNLSA-N 1 0 254.334 0.570 10 0 CCAERO CO[C@@H]1CN(C(=O)C[C@H]2CCCO2)[C@@](C)(C[NH3+])C1 ZINC000630359855 370062084 /nfs/dbraw/zinc/06/20/84/370062084.db2.gz HIKLBTWZGYIOJO-NTZNESFSSA-N 1 0 256.346 0.520 10 0 CCAERO CO[C@H]1CN(CC(=O)N2CCC(C)CC2)[C@@](C)(C[NH3+])C1 ZINC000630364835 370066605 /nfs/dbraw/zinc/06/66/05/370066605.db2.gz WFCPVUXSXSFGJH-UKRRQHHQSA-N 1 0 283.416 0.683 10 0 CCAERO CO[C@H]1CN(Cc2ncnn2C(C)C)[C@](C)(C[NH3+])C1 ZINC000630365482 370066895 /nfs/dbraw/zinc/06/68/95/370066895.db2.gz IKLJFJVDOUBVNU-YPMHNXCESA-N 1 0 267.377 0.797 10 0 CCAERO CO[C@H]1CN(C(=O)c2ccc(C)[nH]c2=O)[C@@](C)(C[NH3+])C1 ZINC000630367978 370068637 /nfs/dbraw/zinc/06/86/37/370068637.db2.gz OUWHHZXFSLFOPK-QMTHXVAHSA-N 1 0 279.340 0.674 10 0 CCAERO CO[C@H]1CN(S(=O)(=O)CCC2CC2)[C@](C)(C[NH3+])C1 ZINC000630368656 370068947 /nfs/dbraw/zinc/06/89/47/370068947.db2.gz SNTVBIMDVVZJDE-NEPJUHHUSA-N 1 0 276.402 0.554 10 0 CCAERO CO[C@@H]1CN(C(=O)CCn2ccnc2)[C@@](C)(C[NH3+])C1 ZINC000630370486 370072137 /nfs/dbraw/zinc/07/21/37/370072137.db2.gz FBYMETFWEMSRLF-WCQYABFASA-N 1 0 266.345 0.238 10 0 CCAERO COC[C@H](C)CC(=O)N1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630372403 370073508 /nfs/dbraw/zinc/07/35/08/370073508.db2.gz QCLXPFHHSBKXLI-MDZLAQPJSA-N 1 0 258.362 0.624 10 0 CCAERO COC1CC(C(=O)N2C[C@H](OC)C[C@@]2(C)C[NH3+])C1 ZINC000630375089 370076279 /nfs/dbraw/zinc/07/62/79/370076279.db2.gz MYWIWVNEAQYQPP-KMFOADKKSA-N 1 0 256.346 0.376 10 0 CCAERO CCCOc1nccnc1N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000630512413 370140657 /nfs/dbraw/zinc/14/06/57/370140657.db2.gz WASYEFGILCHHGY-GHMZBOCLSA-N 1 0 266.345 0.818 10 0 CCAERO C[NH2+]CCOCCNc1ccncc1Br ZINC000630527689 370146788 /nfs/dbraw/zinc/14/67/88/370146788.db2.gz RJUBXSIWMFTEBL-UHFFFAOYSA-N 1 0 274.162 0.914 10 0 CCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CSCCS1 ZINC000235292438 189826515 /nfs/dbraw/zinc/82/65/15/189826515.db2.gz CTZOHIRKAABROO-KXUCPTDWSA-N 1 0 260.428 0.807 10 0 CCAERO O[C@@H](C[NH2+]CC[C@H](O)C(F)F)COCc1ccco1 ZINC000634725839 372172869 /nfs/dbraw/zinc/17/28/69/372172869.db2.gz FFOXWOZVBJPNBV-ONGXEEELSA-N 1 0 279.283 0.763 10 0 CCAERO CCN(CC(=O)N(C)C)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634739978 372182663 /nfs/dbraw/zinc/18/26/63/372182663.db2.gz KTGBPNFXZCSJNJ-FZMZJTMJSA-N 1 0 267.373 0.313 10 0 CCAERO CCCNC(=O)CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634736710 372179314 /nfs/dbraw/zinc/17/93/14/372179314.db2.gz WWGCGKISXIGHLX-GWCFXTLKSA-N 1 0 253.346 0.019 10 0 CCAERO CC(C)N1CCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC000634765061 372212506 /nfs/dbraw/zinc/21/25/06/372212506.db2.gz JRYHTJFCJNPMSY-ZFWWWQNUSA-N 1 0 265.401 0.929 10 0 CCAERO O=C(N[C@@H]1CCCC[C@H]1O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634770191 372219054 /nfs/dbraw/zinc/21/90/54/372219054.db2.gz CDKFTGRPIIIQDG-SFTQSGBHSA-N 1 0 252.358 0.796 10 0 CCAERO C[C@H](Cn1cccn1)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634770549 372220687 /nfs/dbraw/zinc/22/06/87/372220687.db2.gz PAVMFWNJWXAHAL-DYEKYZERSA-N 1 0 262.357 0.778 10 0 CCAERO O=C(N1CC[C@H]2COC[C@H]2C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634771698 372222174 /nfs/dbraw/zinc/22/21/74/372222174.db2.gz FRSCWOSLTIOWSH-XFMPKHEZSA-N 1 0 264.369 0.871 10 0 CCAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCO[C@H](C(F)F)CC2)C1 ZINC000634752899 372201956 /nfs/dbraw/zinc/20/19/56/372201956.db2.gz VAWFJCGMEVBFPS-AEJSXWLSSA-N 1 0 262.300 0.996 10 0 CCAERO c1cc2c(ncnc2N2CC[C@H]3OCC[NH2+][C@@H]3C2)[nH]1 ZINC000634809678 372251776 /nfs/dbraw/zinc/25/17/76/372251776.db2.gz YBKZTGDTCWFGEE-GHMZBOCLSA-N 1 0 259.313 0.525 10 0 CCAERO CN(C(=O)NCc1cccs1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333220999 205127519 /nfs/dbraw/zinc/12/75/19/205127519.db2.gz WPJPWBHDWHMGSO-UWVGGRQHSA-N 1 0 255.343 0.222 10 0 CCAERO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N1CCO[C@H](CO)C1 ZINC000333193980 205105254 /nfs/dbraw/zinc/10/52/54/205105254.db2.gz WMTMQTCAXWLPEE-KBPBESRZSA-N 1 0 297.399 0.406 10 0 CCAERO COc1nnccc1NC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333293137 205190495 /nfs/dbraw/zinc/19/04/95/205190495.db2.gz JNMJTHRBJHQTSS-VIFPVBQESA-N 1 0 265.317 0.749 10 0 CCAERO O=C(NCCN1CCSCC1)N[C@@H]1CCCC[NH2+]C1 ZINC000333410221 205296783 /nfs/dbraw/zinc/29/67/83/205296783.db2.gz RDRFZSRWRDYLOK-GFCCVEGCSA-N 1 0 286.445 0.477 10 0 CCAERO CCC1(CNC(=O)N[C@@H]2CCCC[NH2+]C2)COC1 ZINC000333504641 205382898 /nfs/dbraw/zinc/38/28/98/205382898.db2.gz DRXCSNAJIVNYGE-LLVKDONJSA-N 1 0 255.362 0.854 10 0 CCAERO O=C(NC[C@H]1CC[NH2+]C1)N1CCC[C@@H](n2ccnn2)C1 ZINC000333653632 205554336 /nfs/dbraw/zinc/55/43/36/205554336.db2.gz ZLKZMJDVSFYUBT-NWDGAFQWSA-N 1 0 278.360 0.234 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000333825982 205747127 /nfs/dbraw/zinc/74/71/27/205747127.db2.gz LOVDEJCZWIVWNB-CABZTGNLSA-N 1 0 280.372 0.047 10 0 CCAERO O=C(NCc1ccoc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000046337169 284467192 /nfs/dbraw/zinc/46/71/92/284467192.db2.gz SICFQWQNSQAPLP-ZDUSSCGKSA-N 1 0 281.356 0.926 10 0 CCAERO C[C@]1(C(=O)NC[C@@H]2CCCC[C@H]2O)C[NH2+]CCO1 ZINC000638012513 374555657 /nfs/dbraw/zinc/55/56/57/374555657.db2.gz YEOGRSLIAQJJNZ-DMDPSCGWSA-N 1 0 256.346 0.032 10 0 CCAERO CC1(C)NC(=O)CC[C@H]1NC(=O)N1CC[NH+]2CCC1CC2 ZINC000334200436 206182464 /nfs/dbraw/zinc/18/24/64/206182464.db2.gz OFTSTKVVHZVJTO-GFCCVEGCSA-N 1 0 294.399 0.533 10 0 CCAERO COC[C@]1(C(=O)N2CCn3ccnc3C2)CCCC[NH2+]1 ZINC000638096998 374658836 /nfs/dbraw/zinc/65/88/36/374658836.db2.gz PSOBBPDNCZCCDG-AWEZNQCLSA-N 1 0 278.356 0.384 10 0 CCAERO CC(C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CC(=O)N(C)C1 ZINC000638420938 375017245 /nfs/dbraw/zinc/01/72/45/375017245.db2.gz QRGFRCKHXRVYOH-QWRGUYRKSA-N 1 0 255.362 0.344 10 0 CCAERO CCOC[C@@H]1CN(C(=O)[C@@]2(C)CCCC[NH2+]2)CCO1 ZINC000638604270 375184048 /nfs/dbraw/zinc/18/40/48/375184048.db2.gz FVHLUIULJWCPLI-GXTWGEPZSA-N 1 0 270.373 0.783 10 0 CCAERO COC[C@@]1(C(=O)NCc2cccnc2C)CCC[NH2+]1 ZINC000638599626 375179137 /nfs/dbraw/zinc/17/91/37/375179137.db2.gz MEWMKOQYFWZKDS-CQSZACIVSA-N 1 0 263.341 0.775 10 0 CCAERO O=C([C@@H]1C[NH2+]Cc2ccccc21)N1CCS(=O)CC1 ZINC000087618791 284508167 /nfs/dbraw/zinc/50/81/67/284508167.db2.gz MYTDRAFOROTXSY-CYBMUJFWSA-N 1 0 278.377 0.464 10 0 CCAERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)C1(C[NH3+])CCOCC1 ZINC000638627292 375229503 /nfs/dbraw/zinc/22/95/03/375229503.db2.gz FPECZOAILRFCCZ-NNYUYHANSA-N 1 0 270.373 0.670 10 0 CCAERO Cn1nnnc1N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656609945 412835289 /nfs/dbraw/zinc/83/52/89/412835289.db2.gz XAFQYAORGZGXHA-NSHDSACASA-N 1 0 250.350 0.426 10 0 CCAERO CCC1([NH+](C)C)CCN(C(=O)[C@H]2COCCN2)CC1 ZINC000638975941 375492153 /nfs/dbraw/zinc/49/21/53/375492153.db2.gz QOANSZLQCHWETH-GFCCVEGCSA-N 1 0 269.389 0.308 10 0 CCAERO C[C@@H]([NH3+])C(=O)N1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000261917081 190045942 /nfs/dbraw/zinc/04/59/42/190045942.db2.gz XEZROOMHCUMTPD-OUAUKWLOSA-N 1 0 284.381 0.746 10 0 CCAERO CC[C@@H]1CN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)CCO1 ZINC000261978093 190046398 /nfs/dbraw/zinc/04/63/98/190046398.db2.gz RIHVCSKLMXIJIY-MCIONIFRSA-N 1 0 292.383 0.361 10 0 CCAERO Cc1cccc(C)c1CCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262371384 190054100 /nfs/dbraw/zinc/05/41/00/190054100.db2.gz JYNXCCFBOGIATI-JSGCOSHPSA-N 1 0 262.353 0.685 10 0 CCAERO CCC(=O)N1CSC[C@H]1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000334276058 206295645 /nfs/dbraw/zinc/29/56/45/206295645.db2.gz RSIAZBSDIUEDEJ-NEPJUHHUSA-N 1 0 297.424 0.605 10 0 CCAERO OC[C@]1(O)CCC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000313643639 249000215 /nfs/dbraw/zinc/00/02/15/249000215.db2.gz SDTCGFDJRYRHKR-CVEARBPZSA-N 1 0 295.379 0.383 10 0 CCAERO Cc1cc(CS(=O)(=O)N2CC[C@H]([NH+](C)C)C2)no1 ZINC000265329039 190174925 /nfs/dbraw/zinc/17/49/25/190174925.db2.gz MGTZLGOMZZGBMD-NSHDSACASA-N 1 0 273.358 0.449 10 0 CCAERO Cc1csc2c1ncnc2NC[C@H]1C[NH2+]C[C@@H]1O ZINC000643040665 377702942 /nfs/dbraw/zinc/70/29/42/377702942.db2.gz LRSBPFGAGGZIHI-BDAKNGLRSA-N 1 0 264.354 0.414 10 0 CCAERO [NH3+][C@H](C(=O)N1CC[C@@H](N2CCOCC2)C1)c1ccccc1 ZINC000062976792 295328162 /nfs/dbraw/zinc/32/81/62/295328162.db2.gz YRCQHBZAGZLONQ-CABCVRRESA-N 1 0 289.379 0.620 10 0 CCAERO C[NH+](C)[C@H]1CCN(C(=O)c2nccn3ccnc23)C1 ZINC000266269881 190244628 /nfs/dbraw/zinc/24/46/28/190244628.db2.gz ZHIQCYATOZLSBZ-JTQLQIEISA-N 1 0 259.313 0.505 10 0 CCAERO O=C1CCC[C@@H]2[C@H]3CCC[N@H+]4CCC[C@@](O)(CN12)[C@@H]34 ZINC000056874346 296321592 /nfs/dbraw/zinc/32/15/92/296321592.db2.gz VQYBAEAOOJBSTR-QHSBEEBCSA-N 1 0 264.369 0.987 10 0 biogenic,in-vitro CCAERO C[NH+](C)[C@H](CNC(=O)[C@@H]1CNC(=O)C1)c1cccc(F)c1 ZINC000194860571 284936242 /nfs/dbraw/zinc/93/62/42/284936242.db2.gz BZWWUAVQVANJSA-WCQYABFASA-N 1 0 293.342 0.681 10 0 CCAERO NC(=O)CCC[NH2+]C[C@@H](O)c1cc(F)ccc1F ZINC000037894509 184544052 /nfs/dbraw/zinc/54/40/52/184544052.db2.gz LTEHHOCDYDOFTD-LLVKDONJSA-N 1 0 258.268 0.853 10 0 CCAERO CC[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000335047397 207537119 /nfs/dbraw/zinc/53/71/19/207537119.db2.gz JCKPBUAJEQUVTL-VXGBXAGGSA-N 1 0 281.400 0.831 10 0 CCAERO C[C@@H]1COC[C@H](C)[N@H+]1C[C@@H](O)COC1CCOCC1 ZINC000246303317 285014233 /nfs/dbraw/zinc/01/42/33/285014233.db2.gz VMROGLLQYBZFCW-FRRDWIJNSA-N 1 0 273.373 0.652 10 0 CCAERO O=C(CN1CC[N@@H+]2CCC[C@H]2C1)NC(=O)NC1CCCC1 ZINC000246398310 285018087 /nfs/dbraw/zinc/01/80/87/285018087.db2.gz PVXZYMDYOOAAIQ-ZDUSSCGKSA-N 1 0 294.399 0.535 10 0 CCAERO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C[C@H](C)C1)C(=O)N(C)C ZINC000246651277 285027635 /nfs/dbraw/zinc/02/76/35/285027635.db2.gz KGSCSDVVXZFZMT-AGIUHOORSA-N 1 0 283.416 0.947 10 0 CCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CCN2C(=O)CCC2=O)C1 ZINC000246831726 285034418 /nfs/dbraw/zinc/03/44/18/285034418.db2.gz DUPBOXTYJNKRDW-NWDGAFQWSA-N 1 0 295.383 0.370 10 0 CCAERO CN(Cc1cnn(C)c1)C(=O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247049299 285042054 /nfs/dbraw/zinc/04/20/54/285042054.db2.gz FDXKIMGHSFZPGI-AWEZNQCLSA-N 1 0 291.399 0.159 10 0 CCAERO COC(=O)NCCCC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000247331390 285048242 /nfs/dbraw/zinc/04/82/42/285048242.db2.gz MZQQVSJWTXMWJQ-NWDGAFQWSA-N 1 0 285.388 0.968 10 0 CCAERO CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000247525463 285053544 /nfs/dbraw/zinc/05/35/44/285053544.db2.gz ZJPMGWLUWNXLAD-CYZMBNFOSA-N 1 0 299.440 0.753 10 0 CCAERO CC[C@H]1CN(CCCN2CCOCC2)CC[N@@H+]1C[C@H](C)O ZINC000247562496 285054726 /nfs/dbraw/zinc/05/47/26/285054726.db2.gz QYNOFZJREIUHCG-HOTGVXAUSA-N 1 0 299.459 0.486 10 0 CCAERO Cc1cc(=O)[nH]c([C@H](C)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)n1 ZINC000248741562 285079044 /nfs/dbraw/zinc/07/90/44/285079044.db2.gz MAADFBFGPUHPLR-XQQFMLRXSA-N 1 0 294.399 0.939 10 0 CCAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2cnns2)C1 ZINC000248839407 285084190 /nfs/dbraw/zinc/08/41/90/285084190.db2.gz OYNSNLREQUAYEF-RKDXNWHRSA-N 1 0 297.384 0.322 10 0 CCAERO Cc1cc(C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)cc(=O)[nH]1 ZINC000248820788 285082508 /nfs/dbraw/zinc/08/25/08/285082508.db2.gz BMCUCFXHZVVFEM-NEPJUHHUSA-N 1 0 293.367 0.623 10 0 CCAERO C[C@H](C(F)(F)F)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000335370875 208297590 /nfs/dbraw/zinc/29/75/90/208297590.db2.gz ASBGLJNNCCPZRC-SSDOTTSWSA-N 1 0 274.308 0.951 10 0 CCAERO C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000248937376 285091095 /nfs/dbraw/zinc/09/10/95/285091095.db2.gz NJRUMGIWLFJLAZ-AXFHLTTASA-N 1 0 262.375 0.130 10 0 CCAERO Cc1c(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cnn1C ZINC000335390086 208341867 /nfs/dbraw/zinc/34/18/67/208341867.db2.gz LTZXXAOMQVNVJS-NOZJJQNGSA-N 1 0 250.346 0.785 10 0 CCAERO CC[N@H+](CCO)CCNC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000249019179 285097555 /nfs/dbraw/zinc/09/75/55/285097555.db2.gz QHKRYSFZTUKYRH-NWDGAFQWSA-N 1 0 273.377 0.167 10 0 CCAERO CCCCOC[C@H](O)C[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000249591875 285130979 /nfs/dbraw/zinc/13/09/79/285130979.db2.gz PGCCJENQZLNFEZ-TUAOUCFPSA-N 1 0 258.362 0.278 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H](CO)C2)C1 ZINC000249758164 285139096 /nfs/dbraw/zinc/13/90/96/285139096.db2.gz JHLHNTDJSMFINK-OLZOCXBDSA-N 1 0 269.389 0.885 10 0 CCAERO CN1CCC[C@@H]([NH2+]C[C@@H](O)COCc2ccco2)C1=O ZINC000572632303 291892902 /nfs/dbraw/zinc/89/29/02/291892902.db2.gz XRFOIOOXLPDBBQ-DGCLKSJQSA-N 1 0 282.340 0.368 10 0 CCAERO CCOC(=O)N1CCC([NH2+][C@H]2CCC(=O)N[C@@H]2C)CC1 ZINC000392961742 285207350 /nfs/dbraw/zinc/20/73/50/285207350.db2.gz YMPPAXYPJXLOJH-PWSUYJOCSA-N 1 0 283.372 0.864 10 0 CCAERO O=c1cc(C(F)(F)F)nc(N[C@H]2CCC[NH2+]C2)[nH]1 ZINC000057342917 285216563 /nfs/dbraw/zinc/21/65/63/285216563.db2.gz XPHGHKWRRLKVTI-LURJTMIESA-N 1 0 262.235 0.953 10 0 CCAERO O=S(=O)(C1CC1)N1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000096268814 256740073 /nfs/dbraw/zinc/74/00/73/256740073.db2.gz GIVYPUCSLOJQQE-GFCCVEGCSA-N 1 0 258.387 0.944 10 0 CCAERO CNC(=O)[C@H]([NH2+]CC(=O)NC(=O)NC1CCCC1)C(C)C ZINC000183659252 388760992 /nfs/dbraw/zinc/76/09/92/388760992.db2.gz YBSXSRSJSSVCSB-GFCCVEGCSA-N 1 0 298.387 0.115 10 0 CCAERO Cn1nnc2ccc(C(=O)N3CC[C@@H]([NH+](C)C)C3)cc21 ZINC000185181646 388791170 /nfs/dbraw/zinc/79/11/70/388791170.db2.gz UFQUISLCZMPQAM-LLVKDONJSA-N 1 0 273.340 0.744 10 0 CCAERO CC(=O)N1CC(C(=O)N[C@H](C)C[NH+]2CCCCCC2)C1 ZINC000188674148 388936047 /nfs/dbraw/zinc/93/60/47/388936047.db2.gz BFSYXHTXXDZWSG-GFCCVEGCSA-N 1 0 281.400 0.845 10 0 CCAERO C[C@H](C(=O)N1CCCNC(=O)[C@H]1C)[NH+]1CCCCCC1 ZINC000188091489 388913267 /nfs/dbraw/zinc/91/32/67/388913267.db2.gz FITBHBSCDPKISK-CHWSQXEVSA-N 1 0 281.400 0.988 10 0 CCAERO O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000188676741 388936439 /nfs/dbraw/zinc/93/64/39/388936439.db2.gz FNHRPBQCVWJOIF-QCNOEVLYSA-N 1 0 272.320 0.093 10 0 CCAERO C[C@H](NC(=O)[C@H]1C[C@H](F)C[NH2+]1)[C@@H](O)Cc1ccccc1 ZINC000188969326 388945429 /nfs/dbraw/zinc/94/54/29/388945429.db2.gz HQKJWOPZEJZFKB-DEQVHRJGSA-N 1 0 280.343 0.795 10 0 CCAERO CC(=O)NC1CN(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC000189957253 388978787 /nfs/dbraw/zinc/97/87/87/388978787.db2.gz CWTMRNLGEUQVMN-LBPRGKRZSA-N 1 0 296.415 0.637 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cnn(C)c1 ZINC000190105411 388983600 /nfs/dbraw/zinc/98/36/00/388983600.db2.gz MXKPRFUYGZLXMP-CMPLNLGQSA-N 1 0 291.355 0.054 10 0 CCAERO CC[C@@H]1CN(CCN2CCO[C@H](C)C2)CC[N@@H+]1CCOC ZINC000191484385 389011932 /nfs/dbraw/zinc/01/19/32/389011932.db2.gz DMSQWVACSPGUCC-HZPDHXFCSA-N 1 0 299.459 0.750 10 0 CCAERO CO[C@@H]1C[C@H](CO)[N@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000307992311 389092378 /nfs/dbraw/zinc/09/23/78/389092378.db2.gz XWCPCBAXOOEWSH-HRDYMLBCSA-N 1 0 257.252 0.381 10 0 CCAERO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3C[C@H]3C(=O)OC)[C@H]2C1 ZINC000355353595 389065187 /nfs/dbraw/zinc/06/51/87/389065187.db2.gz XKJGTTCPTGYWKH-NDBYEHHHSA-N 1 0 296.367 0.117 10 0 CCAERO CCCCOC[C@@H](O)C[N@@H+]1CCN(CCOC)[C@H](C)C1 ZINC000193378842 389068163 /nfs/dbraw/zinc/06/81/63/389068163.db2.gz VQKPQXUDOMQBQD-CABCVRRESA-N 1 0 288.432 0.817 10 0 CCAERO [NH3+]C[C@]1(c2ncc(Br)cn2)CCOC1 ZINC000307615551 389091809 /nfs/dbraw/zinc/09/18/09/389091809.db2.gz QDQGKULTFIYYQY-SECBINFHSA-N 1 0 258.119 0.856 10 0 CCAERO CC(=O)N1CCC2(C1)CCN(C(=O)[C@@H](C)[NH3+])CC2 ZINC000095088905 389041219 /nfs/dbraw/zinc/04/12/19/389041219.db2.gz UINMUHHRNKBFDD-SNVBAGLBSA-N 1 0 253.346 0.195 10 0 CCAERO CCOC(C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)OCC ZINC000300075191 389043825 /nfs/dbraw/zinc/04/38/25/389043825.db2.gz IJTBWURMBOIZTF-GHMZBOCLSA-N 1 0 256.346 0.596 10 0 CCAERO CO[C@H](C)c1nsc(N(C)CCOCC[NH3+])n1 ZINC000310178723 389095363 /nfs/dbraw/zinc/09/53/63/389095363.db2.gz SHCUYYWEQPHSCK-MRVPVSSYSA-N 1 0 260.363 0.657 10 0 CCAERO CC[N@H+](C)C[C@H](O)CN1C[C@H]2CCCC[NH+]2C[C@@H]1C ZINC000311945955 389106205 /nfs/dbraw/zinc/10/62/05/389106205.db2.gz KKRFWOMGETURPI-ZNMIVQPWSA-N 1 0 269.433 0.858 10 0 CCAERO COc1ccc(C)cc1C[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000312815152 389109790 /nfs/dbraw/zinc/10/97/90/389109790.db2.gz RZQNRQOHFOUZKR-OAHLLOKOSA-N 1 0 278.352 0.816 10 0 CCAERO Cn1ncc2c1ncnc2NC[C@H]1CN(C)CCO1 ZINC000112012751 389116722 /nfs/dbraw/zinc/11/67/22/389116722.db2.gz DQZQNVHAGRTEOK-VIFPVBQESA-N 1 0 262.317 0.106 10 0 CCAERO CC(=O)N1CCC(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000113223761 389129110 /nfs/dbraw/zinc/12/91/10/389129110.db2.gz RRWQDCPGCGKXMO-SWLSCSKDSA-N 1 0 293.411 0.940 10 0 CCAERO C[C@H]1COCC[N@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000328695935 389132858 /nfs/dbraw/zinc/13/28/58/389132858.db2.gz UAPXISYPYNNYIB-NEPJUHHUSA-N 1 0 283.372 0.729 10 0 CCAERO O[C@@]12CCCC[C@@H]1C[N@H+](CCN1CCOCC1)CC2 ZINC000220404935 389139405 /nfs/dbraw/zinc/13/94/05/389139405.db2.gz SLNUVIDGSDIWCX-HUUCEWRRSA-N 1 0 268.401 0.946 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CN(C)CCO1 ZINC000245415256 389206216 /nfs/dbraw/zinc/20/62/16/389206216.db2.gz DBJGKXGCHFIFHC-MGPQQGTHSA-N 1 0 281.400 0.402 10 0 CCAERO [NH3+]C[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000237957641 389197233 /nfs/dbraw/zinc/19/72/33/389197233.db2.gz GGINMQPWFBFKQX-AAEUAGOBSA-N 1 0 279.384 0.727 10 0 CCAERO CN(CC(N)=O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000238853033 389200322 /nfs/dbraw/zinc/20/03/22/389200322.db2.gz 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DKWDVUAJFJDKDU-UHFFFAOYSA-N 1 0 270.358 0.158 10 0 CCAERO CCN1CCO[C@H](C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000261999837 285361225 /nfs/dbraw/zinc/36/12/25/285361225.db2.gz NIMAPQYKMTUKAX-NWDGAFQWSA-N 1 0 269.389 0.293 10 0 CCAERO CC(C)n1nnnc1CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000647973962 390235967 /nfs/dbraw/zinc/23/59/67/390235967.db2.gz KBZNFUPSZDYXRX-WDEREUQCSA-N 1 0 250.350 0.438 10 0 CCAERO CS(=O)(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000647964643 390231286 /nfs/dbraw/zinc/23/12/86/390231286.db2.gz SNFOYYDZYYELLT-UTUOFQBUSA-N 1 0 276.402 0.161 10 0 CCAERO O=C(NC[C@@H]1CC[NH2+]C1)[C@H]1CCCN1c1ncccn1 ZINC000648109193 390289672 /nfs/dbraw/zinc/28/96/72/390289672.db2.gz DNTYGZICQUFFBZ-VXGBXAGGSA-N 1 0 275.356 0.171 10 0 CCAERO CCCCOC[C@@H](O)C[NH2+][C@H]1CCN(CC)C1=O ZINC000644643090 390274790 /nfs/dbraw/zinc/27/47/90/390274790.db2.gz YCWPYLDBUVYZDB-RYUDHWBXSA-N 1 0 258.362 0.374 10 0 CCAERO [NH3+]CC1(C(=O)N2CCO[C@@H](C(F)(F)F)C2)CCOCC1 ZINC000648088557 390276793 /nfs/dbraw/zinc/27/67/93/390276793.db2.gz QMLDIGRLKWFLMK-SECBINFHSA-N 1 0 296.289 0.532 10 0 CCAERO Cn1cc(C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)cn1 ZINC000583616538 390298040 /nfs/dbraw/zinc/29/80/40/390298040.db2.gz HEBYLFAWQZBWEE-HIFRSBDPSA-N 1 0 285.351 0.877 10 0 CCAERO C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCN1c1ncccn1 ZINC000648131486 390300966 /nfs/dbraw/zinc/30/09/66/390300966.db2.gz WZXIOOLVGXUTCJ-WDEREUQCSA-N 1 0 263.345 0.170 10 0 CCAERO C[NH2+][C@H](C)CNC(=O)CNC(=O)Nc1ccccc1 ZINC000648131482 390300999 /nfs/dbraw/zinc/30/09/99/390300999.db2.gz WUWVFGJWZTXKOL-SNVBAGLBSA-N 1 0 264.329 0.532 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cccc2ccncc21 ZINC000648133316 390301649 /nfs/dbraw/zinc/30/16/49/390301649.db2.gz CBJJNMWQEJRXDM-BXUZGUMPSA-N 1 0 271.320 0.545 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000648195747 390338107 /nfs/dbraw/zinc/33/81/07/390338107.db2.gz ZDWDXAOZHPFZOF-LOWDOPEQSA-N 1 0 252.358 0.999 10 0 CCAERO COCCCN(C)C(=O)C1(CCOC)CC[NH2+]CC1 ZINC000643665061 390494289 /nfs/dbraw/zinc/49/42/89/390494289.db2.gz YWKCUDDTXVMYAM-UHFFFAOYSA-N 1 0 272.389 0.888 10 0 CCAERO C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCOC2)C[C@@H](C)S1 ZINC000643665268 390494307 /nfs/dbraw/zinc/49/43/07/390494307.db2.gz NYFTXCWPNHETNN-GMTAPVOTSA-N 1 0 258.387 0.575 10 0 CCAERO COCCC1(C(=O)NCC2(CO)CC2)CC[NH2+]CC1 ZINC000643689351 390500298 /nfs/dbraw/zinc/50/02/98/390500298.db2.gz CQIHLAGWHZFAKW-UHFFFAOYSA-N 1 0 270.373 0.281 10 0 CCAERO COC[C@@]1(C(=O)N[C@H](CCO)C(C)C)CCC[NH2+]1 ZINC000643689539 390500604 /nfs/dbraw/zinc/50/06/04/390500604.db2.gz JLAWJHJTAJIAAY-DGCLKSJQSA-N 1 0 258.362 0.278 10 0 CCAERO COC[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)O3)CCC[NH2+]1 ZINC000643700345 390505131 /nfs/dbraw/zinc/50/51/31/390505131.db2.gz XYBOQGBSWMLEEY-NTZNESFSSA-N 1 0 254.330 0.145 10 0 CCAERO COC[C@]1(C(=O)N2CCO[C@H](C(F)(F)F)C2)CCC[NH2+]1 ZINC000643710310 390509732 /nfs/dbraw/zinc/50/97/32/390509732.db2.gz ZXQAQOCSIWDXSG-ONGXEEELSA-N 1 0 296.289 0.545 10 0 CCAERO COC[C@]1(C(=O)N2CC[C@](O)(C(F)(F)F)C2)CCC[NH2+]1 ZINC000643712438 390510601 /nfs/dbraw/zinc/51/06/01/390510601.db2.gz SNOFIQNSNVXLBE-WDEREUQCSA-N 1 0 296.289 0.281 10 0 CCAERO C[C@@H](O)CC(C)(C)CNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643713333 390511775 /nfs/dbraw/zinc/51/17/75/390511775.db2.gz QWDWVIJBMVQSCP-MNOVXSKESA-N 1 0 258.362 0.136 10 0 CCAERO COC[C@]1(C(=O)N2C[C@@H]3[C@H](C2)C3(C)C)CCC[NH2+]1 ZINC000643715843 390514706 /nfs/dbraw/zinc/51/47/06/390514706.db2.gz UHCREQSABZIIIB-WDMOLILDSA-N 1 0 252.358 0.869 10 0 CCAERO CCc1nnc(NC(=O)[C@H]2C[NH2+]CCOC2)s1 ZINC000643616476 390471204 /nfs/dbraw/zinc/47/12/04/390471204.db2.gz WHFRDUUGUYDZEF-ZETCQYMHSA-N 1 0 256.331 0.275 10 0 CCAERO CN(Cc1cccs1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643618698 390473410 /nfs/dbraw/zinc/47/34/10/390473410.db2.gz YGZHGAZKWTZDFY-SNVBAGLBSA-N 1 0 254.355 0.943 10 0 CCAERO O=C(NCCCOCC1CC1)[C@H]1C[NH2+]CCOC1 ZINC000643622819 390475284 /nfs/dbraw/zinc/47/52/84/390475284.db2.gz GIBKMHKIIJHHOU-LBPRGKRZSA-N 1 0 256.346 0.155 10 0 CCAERO NC(=O)Nc1ccc(NC(=O)[C@H]2C[NH2+]CCOC2)cc1 ZINC000643626885 390477903 /nfs/dbraw/zinc/47/79/03/390477903.db2.gz ZOQYSCQDVJQZTH-VIFPVBQESA-N 1 0 278.312 0.352 10 0 CCAERO COCCC1(C(=O)NCC[C@H](C)O)CC[NH2+]CC1 ZINC000643630421 390480937 /nfs/dbraw/zinc/48/09/37/390480937.db2.gz KUIHQRZRAKDUQP-NSHDSACASA-N 1 0 258.362 0.280 10 0 CCAERO CCO[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000643642537 390486617 /nfs/dbraw/zinc/48/66/17/390486617.db2.gz NFTRIIPCSICNLP-NWDGAFQWSA-N 1 0 256.346 0.250 10 0 CCAERO COC[C@@]1(C(=O)N(C)CC(C)(C)OC)CCC[NH2+]1 ZINC000643736551 390522664 /nfs/dbraw/zinc/52/26/64/390522664.db2.gz GNCRUEYQCFAIIS-CYBMUJFWSA-N 1 0 258.362 0.638 10 0 CCAERO COC[C@@]1(C(=O)N(C)CCc2ccccn2)CCC[NH2+]1 ZINC000643774514 390541239 /nfs/dbraw/zinc/54/12/39/390541239.db2.gz CJRPJAKRMVPQOU-OAHLLOKOSA-N 1 0 277.368 0.851 10 0 CCAERO CN(CCc1nccs1)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643788841 390549897 /nfs/dbraw/zinc/54/98/97/390549897.db2.gz ILCGTVWWQNRLAK-JTQLQIEISA-N 1 0 269.370 0.380 10 0 CCAERO O=C(NCC1(C2CC2)CCC1)[C@H]1C[NH2+]CCOC1 ZINC000643793675 390553294 /nfs/dbraw/zinc/55/32/94/390553294.db2.gz CXRAKJMVLOBMPJ-NSHDSACASA-N 1 0 252.358 0.919 10 0 CCAERO Cc1csc(CCNC(=O)[C@@H]2C[NH2+]CCOC2)n1 ZINC000649298136 390558540 /nfs/dbraw/zinc/55/85/40/390558540.db2.gz TWXLTNFEQDKBFM-SNVBAGLBSA-N 1 0 269.370 0.346 10 0 CCAERO COC[C@]1(C(=O)N(C)CC(F)(F)F)CCC[NH2+]1 ZINC000649373862 390609732 /nfs/dbraw/zinc/60/97/32/390609732.db2.gz OMLIGBBXJGLRAQ-VIFPVBQESA-N 1 0 254.252 0.776 10 0 CCAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC(=O)N(C2CC2)C1 ZINC000646640691 390702478 /nfs/dbraw/zinc/70/24/78/390702478.db2.gz WQTRWDITVUJMAJ-WSMDXJOWSA-N 1 0 277.368 0.397 10 0 CCAERO CC(C)n1nnnc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000571325752 390731130 /nfs/dbraw/zinc/73/11/30/390731130.db2.gz RQWAWRRXQIPRPE-HBNTYKKESA-N 1 0 250.350 0.423 10 0 CCAERO C[C@H](NC(=O)C(C)(C)C)C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000567233846 390681219 /nfs/dbraw/zinc/68/12/19/390681219.db2.gz AFJIFBCAGMYMIG-UTLUCORTSA-N 1 0 255.362 0.343 10 0 CCAERO C[N@@H+]1CCO[C@H]2CN(c3nc(C4CCC4)no3)C[C@@H]21 ZINC000567454386 390698840 /nfs/dbraw/zinc/69/88/40/390698840.db2.gz MESFTCZQMRXHDE-QWRGUYRKSA-N 1 0 264.329 0.856 10 0 CCAERO O=C(CCc1ccccc1O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000647040930 390763605 /nfs/dbraw/zinc/76/36/05/390763605.db2.gz DEPZXJXZBDOAMX-AAEUAGOBSA-N 1 0 264.325 0.021 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cccn1Cc1ccccc1 ZINC000647041677 390764148 /nfs/dbraw/zinc/76/41/48/390764148.db2.gz YSHSOOPNNZPHER-GDBMZVCRSA-N 1 0 299.374 0.847 10 0 CCAERO Cc1nc(NCCC[NH2+]C(C)C)sc1S(N)(=O)=O ZINC000572706464 390797815 /nfs/dbraw/zinc/79/78/15/390797815.db2.gz FPUDSOQYMLZKJR-UHFFFAOYSA-N 1 0 292.430 0.321 10 0 CCAERO CN1C[C@H](C[NH2+]Cc2c(Cl)cnn2C)CC1=O ZINC000657696090 413049556 /nfs/dbraw/zinc/04/95/56/413049556.db2.gz RUQFJKOQEANEHR-QMMMGPOBSA-N 1 0 256.737 0.641 10 0 CCAERO Nc1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)cn1 ZINC000035367744 134795168 /nfs/dbraw/zinc/79/51/68/134795168.db2.gz UEIPKYSDZQWUFT-ZDUSSCGKSA-N 1 0 262.357 0.965 10 0 CCAERO NNc1[nH+]cnc(N2CCN(c3ccccc3)CC2)c1N ZINC000040727074 134870043 /nfs/dbraw/zinc/87/00/43/134870043.db2.gz MNAJHDZPAFSJBJ-UHFFFAOYSA-N 1 0 285.355 0.671 10 0 CCAERO CC[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000037015582 397380063 /nfs/dbraw/zinc/38/00/63/397380063.db2.gz XWLQBTZNUXWAQR-KWQFWETISA-N 1 0 285.369 0.249 10 0 CCAERO C[C@@H]([NH3+])CC(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000037607812 397382561 /nfs/dbraw/zinc/38/25/61/397382561.db2.gz CGQDQHLESZRUJA-RKDXNWHRSA-N 1 0 285.369 0.249 10 0 CCAERO O=C(C[C@@H]1OCCc2ccccc21)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262091010 143937185 /nfs/dbraw/zinc/93/71/85/143937185.db2.gz CZNFUYRLKZJAIT-CFVMTHIKSA-N 1 0 290.363 0.387 10 0 CCAERO Cc1ccc(SCC(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262121648 143939989 /nfs/dbraw/zinc/93/99/89/143939989.db2.gz FYWGVVTZFNWJGM-DGCLKSJQSA-N 1 0 280.393 0.784 10 0 CCAERO C[C@@H]1CN(C(=O)[C@@H]2CCc3n[nH]nc3C2)C[C@H]1[NH+](C)C ZINC000328965773 397449525 /nfs/dbraw/zinc/44/95/25/397449525.db2.gz MNMOXSJZUOBQJD-GIPNMCIBSA-N 1 0 277.372 0.318 10 0 CCAERO C[C@H]1CC(C(=O)N2CCN(CCO)CC2)C[C@H](C)O1 ZINC000093940811 397400236 /nfs/dbraw/zinc/40/02/36/397400236.db2.gz XNRBJBPJIUHVFL-RYUDHWBXSA-N 1 0 270.373 0.327 10 0 CCAERO CC[C@@H](NC(=O)Nc1ccc(C[NH3+])cc1)C(N)=O ZINC000357746709 144118379 /nfs/dbraw/zinc/11/83/79/144118379.db2.gz KPNKVYINKPDLOS-SNVBAGLBSA-N 1 0 250.302 0.531 10 0 CCAERO O=C(c1ccc(F)c(F)c1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000369329281 144263611 /nfs/dbraw/zinc/26/36/11/144263611.db2.gz GDWHLVVFSSJKDP-NEPJUHHUSA-N 1 0 268.263 0.778 10 0 CCAERO O=C1CNC(=O)N1C[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000370112768 144290773 /nfs/dbraw/zinc/29/07/73/144290773.db2.gz QCFVAYLJCQHIMO-CYBMUJFWSA-N 1 0 288.351 0.845 10 0 CCAERO CCCCOC[C@@H](O)Cn1cc([C@@H](C)[NH2+]C)nn1 ZINC000386437261 397501293 /nfs/dbraw/zinc/50/12/93/397501293.db2.gz BCRMCOPSJFLLIM-MNOVXSKESA-N 1 0 256.350 0.736 10 0 CCAERO COc1nc(N2CC[C@H]2C[NH3+])ncc1Br ZINC000757153093 581682360 /nfs/dbraw/zinc/68/23/60/581682360.db2.gz SQSMLAFEJOFJQR-LURJTMIESA-N 1 0 273.134 0.785 10 0 CCAERO COC[C@]1(C(=O)N2C[C@@H](C)OC[C@H]2C)CCC[NH2+]1 ZINC000659262058 413360716 /nfs/dbraw/zinc/36/07/16/413360716.db2.gz HTOFSRYASNQPMN-WZRBSPASSA-N 1 0 256.346 0.391 10 0 CCAERO COC[C@]1(C(=O)NC[C@@H]2CCC[C@H](C)O2)CCC[NH2+]1 ZINC000659361698 413446152 /nfs/dbraw/zinc/44/61/52/413446152.db2.gz MGXYHTNGCWXQIV-OBJOEFQTSA-N 1 0 270.373 0.829 10 0 CCAERO CC[C@@H](O)C[NH+]1CCN(CC(=O)N[C@H](C)C(C)C)CC1 ZINC000174078200 286943105 /nfs/dbraw/zinc/94/31/05/286943105.db2.gz QRCHKBTXHSHNEB-ZIAGYGMSSA-N 1 0 285.432 0.536 10 0 CCAERO CN(Cc1cn(C)nn1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000659367348 413450832 /nfs/dbraw/zinc/45/08/32/413450832.db2.gz IESSSYKTNRIAIW-ZJUUUORDSA-N 1 0 251.334 0.291 10 0 CCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCC(=O)N(C)CC1 ZINC000659372389 413454608 /nfs/dbraw/zinc/45/46/08/413454608.db2.gz AYAFIPFUKQTGGT-MNOVXSKESA-N 1 0 253.346 0.065 10 0 CCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(C)Cc1cn(C)nn1 ZINC000659369043 413453731 /nfs/dbraw/zinc/45/37/31/413453731.db2.gz SHQVEOMKJUMVJW-KOLCDFICSA-N 1 0 251.334 0.162 10 0 CCAERO C[C@@H](NC(N)=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000171505834 287007331 /nfs/dbraw/zinc/00/73/31/287007331.db2.gz FDLDTJZPDIAOIH-SNVBAGLBSA-N 1 0 268.361 0.130 10 0 CCAERO [NH3+]Cc1cn(CC(=O)N2CCSc3ccccc32)nn1 ZINC000050224318 411676625 /nfs/dbraw/zinc/67/66/25/411676625.db2.gz GZABGFMGBPREKH-UHFFFAOYSA-N 1 0 289.364 0.876 10 0 CCAERO [NH3+]Cc1cn(CCOCCOc2ccccc2)nn1 ZINC000052628488 411680992 /nfs/dbraw/zinc/68/09/92/411680992.db2.gz PKIFEVLHSFNBCI-UHFFFAOYSA-N 1 0 262.313 0.832 10 0 CCAERO C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000111264322 411701408 /nfs/dbraw/zinc/70/14/08/411701408.db2.gz UYYBHCDNJDVNIY-WCABBAIRSA-N 1 0 288.351 0.889 10 0 CCAERO CN(C[C@H](O)C[NH2+]C[C@H]1CCCC[C@H]1O)C1CC1 ZINC000311006608 411747372 /nfs/dbraw/zinc/74/73/72/411747372.db2.gz JIDWVRDKTSUTNF-MRVWCRGKSA-N 1 0 256.390 0.582 10 0 CCAERO C[C@@H](NC(=O)C1(C)C[NH2+]C1)c1ccc(S(N)(=O)=O)cc1 ZINC000399322686 411777558 /nfs/dbraw/zinc/77/75/58/411777558.db2.gz VVBKRUDDAGNEMF-SECBINFHSA-N 1 0 297.380 0.121 10 0 CCAERO CC(C)(C(=O)N1CCO[C@H]2CCCC[C@@H]21)N1CC[NH2+]CC1 ZINC000129657519 411721056 /nfs/dbraw/zinc/72/10/56/411721056.db2.gz CUSFXMDCTFMRGK-KBPBESRZSA-N 1 0 295.427 0.840 10 0 CCAERO COc1ncc(Cl)c(N2CCO[C@H]([C@H](C)[NH3+])C2)n1 ZINC000132927197 411727121 /nfs/dbraw/zinc/72/71/21/411727121.db2.gz METSOAYWLVYKCE-CBAPKCEASA-N 1 0 272.736 0.691 10 0 CCAERO C[NH2+]Cc1ccccc1CNC(=O)[C@H]1CNC(=O)C1 ZINC000404712410 411797145 /nfs/dbraw/zinc/79/71/45/411797145.db2.gz HZDSSQPBDMLNPV-GFCCVEGCSA-N 1 0 261.325 0.158 10 0 CCAERO O[C@@H](COc1ccc(F)c(F)c1)CN1CC[NH2+]CC1 ZINC000019668817 170835098 /nfs/dbraw/zinc/83/50/98/170835098.db2.gz AXCRFUFGCZTBES-SNVBAGLBSA-N 1 0 272.295 0.610 10 0 CCAERO CC(C)CC(=O)N1CCC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000020184157 171047231 /nfs/dbraw/zinc/04/72/31/171047231.db2.gz LTARUFQAANLJOY-LBPRGKRZSA-N 1 0 267.373 0.455 10 0 CCAERO COc1cc([C@H](O)C[NH3+])cc(Cl)c1OCC(N)=O ZINC000020216696 171078734 /nfs/dbraw/zinc/07/87/34/171078734.db2.gz FWSHVGURLCNKTG-MRVPVSSYSA-N 1 0 274.704 0.205 10 0 CCAERO [NH3+]CCOc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000020228590 171093294 /nfs/dbraw/zinc/09/32/94/171093294.db2.gz FFLMJNIRSNHNQK-ZDUSSCGKSA-N 1 0 264.325 0.933 10 0 CCAERO CCc1cccc(NS(=O)(=O)N2CC[NH2+]CC2)c1 ZINC000020247730 171100940 /nfs/dbraw/zinc/10/09/40/171100940.db2.gz WVDZHUGDHSCVQG-UHFFFAOYSA-N 1 0 269.370 0.811 10 0 CCAERO C[C@@H]1[C@@H](C)CCC[C@@H]1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000020247748 171101385 /nfs/dbraw/zinc/10/13/85/171101385.db2.gz UXSNAFZWSIPMEE-TUAOUCFPSA-N 1 0 275.418 0.551 10 0 CCAERO O=S(=O)(Nc1ccc(F)c(F)c1)N1CC[NH2+]CC1 ZINC000020247585 171101446 /nfs/dbraw/zinc/10/14/46/171101446.db2.gz WXYJCFXAMUGQIQ-UHFFFAOYSA-N 1 0 277.296 0.527 10 0 CCAERO CO[C@H]1C[C@@H](CN(C)C(=O)Cc2cccnc2)[N@H+](C)C1 ZINC000284605114 196095426 /nfs/dbraw/zinc/09/54/26/196095426.db2.gz ASLSFGGGZIJMFJ-KBPBESRZSA-N 1 0 277.368 0.802 10 0 CCAERO CC(C)[NH+](CCN[C@@H](C)C(=O)NC(N)=O)C(C)C ZINC000020309645 171144083 /nfs/dbraw/zinc/14/40/83/171144083.db2.gz WMUXXVCYXGAJBK-JTQLQIEISA-N 1 0 258.366 0.278 10 0 CCAERO COCCNC(=O)[C@H](C)[NH2+]CCc1ccc(OC)cc1 ZINC000020315017 171145550 /nfs/dbraw/zinc/14/55/50/171145550.db2.gz IZAJOERWPKVLSJ-LBPRGKRZSA-N 1 0 280.368 0.978 10 0 CCAERO CNC(=O)NC(=O)[C@H](C)Oc1ccccc1C[NH3+] ZINC000020386576 171176860 /nfs/dbraw/zinc/17/68/60/171176860.db2.gz CMBISOJMALNAEG-QMMMGPOBSA-N 1 0 251.286 0.368 10 0 CCAERO COCCNC(=O)[C@H](C)Oc1ccccc1C[NH3+] ZINC000020386674 171177025 /nfs/dbraw/zinc/17/70/25/171177025.db2.gz JWPXXDVRLFFORZ-JTQLQIEISA-N 1 0 252.314 0.675 10 0 CCAERO COc1cc([C@@H](C)[NH3+])ccc1O[C@@H](C)C(=O)NC(N)=O ZINC000020419854 171185101 /nfs/dbraw/zinc/18/51/01/171185101.db2.gz QZSONIUUBXFJRZ-SFYZADRCSA-N 1 0 281.312 0.677 10 0 CCAERO CC(C)NC(=O)CN(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653061282 412206432 /nfs/dbraw/zinc/20/64/32/412206432.db2.gz JDFXOJHUHVHMGA-RKDXNWHRSA-N 1 0 295.305 0.367 10 0 CCAERO COC[C@H](C)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653079476 412209813 /nfs/dbraw/zinc/20/98/13/412209813.db2.gz BFOZZAFTPWNSQT-IWSPIJDZSA-N 1 0 268.279 0.783 10 0 CCAERO COC[C@@]1(C(=O)N2CCC(CCO)CC2)CCC[NH2+]1 ZINC000653256123 412272377 /nfs/dbraw/zinc/27/23/77/412272377.db2.gz XYFRCEVVCXMDLA-CQSZACIVSA-N 1 0 270.373 0.376 10 0 CCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653130585 412234869 /nfs/dbraw/zinc/23/48/69/412234869.db2.gz ULVOHVUGVCEKOE-KDXUFGMBSA-N 1 0 266.263 0.678 10 0 CCAERO Cc1cc(NC(=O)CN2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)no1 ZINC000284900938 196154016 /nfs/dbraw/zinc/15/40/16/196154016.db2.gz RXSPEHXSHIZPDX-VXGBXAGGSA-N 1 0 294.355 0.326 10 0 CCAERO Cc1csc2c1ncn(CCN1CC[NH2+]CC1)c2=O ZINC000032509005 171730413 /nfs/dbraw/zinc/73/04/13/171730413.db2.gz JNFBDZMKZAFJMI-UHFFFAOYSA-N 1 0 278.381 0.672 10 0 CCAERO CCNC(=O)C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000035139792 172008053 /nfs/dbraw/zinc/00/80/53/172008053.db2.gz WWOFAKJVPCWDHU-JTQLQIEISA-N 1 0 284.381 0.877 10 0 CCAERO CCNC(=O)C[NH2+][C@@H](C)C(=O)N1CCCCCC1 ZINC000035142088 172008658 /nfs/dbraw/zinc/00/86/58/172008658.db2.gz DJFILVGTLAFMBC-NSHDSACASA-N 1 0 255.362 0.503 10 0 CCAERO CC(C)CCNC(=O)[C@@H](C)[NH2+]CC(=O)NC(C)C ZINC000035207165 172052039 /nfs/dbraw/zinc/05/20/39/172052039.db2.gz VGYCPFQUWHGMRH-LLVKDONJSA-N 1 0 257.378 0.651 10 0 CCAERO CCCCCNC(=O)[C@H](C)[NH2+]CC(=O)NC(C)C ZINC000035207160 172052091 /nfs/dbraw/zinc/05/20/91/172052091.db2.gz BPZRDCXISLGLRE-NSHDSACASA-N 1 0 257.378 0.796 10 0 CCAERO Cc1nn(CC(=O)N2CCC[N@@H+](C)CC2)c(C)c1N ZINC000035321114 172124553 /nfs/dbraw/zinc/12/45/53/172124553.db2.gz YHTVSRTXMTXUHL-UHFFFAOYSA-N 1 0 265.361 0.246 10 0 CCAERO CC[NH2+][C@H](C)c1cccc(S(=O)(=O)NCC(N)=O)c1 ZINC000035632982 172315953 /nfs/dbraw/zinc/31/59/53/172315953.db2.gz IAUKSPUJOXROCD-SECBINFHSA-N 1 0 285.369 0.121 10 0 CCAERO [NH3+][C@@H]1CC(=O)N(CCc2ccc3c(c2)OCCO3)C1 ZINC000035679704 172350746 /nfs/dbraw/zinc/35/07/46/172350746.db2.gz NJUXECHTVBFHOB-LLVKDONJSA-N 1 0 262.309 0.560 10 0 CCAERO Cc1c(C(=O)N[C@@H](C)[C@@H]2CCCC[NH2+]2)cnn1C ZINC000035690142 172359031 /nfs/dbraw/zinc/35/90/31/172359031.db2.gz OETOVENQLUXXOG-CABZTGNLSA-N 1 0 250.346 0.989 10 0 CCAERO CN(Cc1ccsc1)C(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000035719284 172372917 /nfs/dbraw/zinc/37/29/17/172372917.db2.gz AAKMUDNFRDJMEO-JTQLQIEISA-N 1 0 290.410 0.469 10 0 CCAERO C[C@@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1ccco1 ZINC000035738267 172391615 /nfs/dbraw/zinc/39/16/15/172391615.db2.gz GWUIENYUVKMBDX-BDAKNGLRSA-N 1 0 274.342 0.219 10 0 CCAERO CS(=O)(=O)NCCn1c(N)[nH+]c2ccccc21 ZINC000035798445 172421549 /nfs/dbraw/zinc/42/15/49/172421549.db2.gz GOAJTGZUACTKSJ-UHFFFAOYSA-N 1 0 254.315 0.168 10 0 CCAERO CCOCC(=O)N1CCN([C@H](CC)CC[NH3+])CC1 ZINC000037038931 172906788 /nfs/dbraw/zinc/90/67/88/172906788.db2.gz OAAXJMSEXAOOFG-GFCCVEGCSA-N 1 0 257.378 0.295 10 0 CCAERO CO[C@H]1CCCC[C@H]1[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000037270418 173081724 /nfs/dbraw/zinc/08/17/24/173081724.db2.gz MDZVZECXUVPQPX-OLZOCXBDSA-N 1 0 290.429 0.958 10 0 CCAERO CS(=O)(=O)N1CCC([NH2+][C@@H]2C[C@H]3CC=C[C@@H]32)CC1 ZINC000037270379 173081819 /nfs/dbraw/zinc/08/18/19/173081819.db2.gz REIHZBKWNASTGT-KGYLQXTDSA-N 1 0 270.398 0.965 10 0 CCAERO COc1ccc(NS(=O)(=O)N2CC[NH2+]CC2)cc1F ZINC000037290965 173096212 /nfs/dbraw/zinc/09/62/12/173096212.db2.gz STDNWBOWXUCDTM-UHFFFAOYSA-N 1 0 289.332 0.396 10 0 CCAERO C[C@H]1CCC[C@@H](C(=O)NCCCN2CCOCC2)[NH2+]1 ZINC000037393637 173174323 /nfs/dbraw/zinc/17/43/23/173174323.db2.gz PDUPJWSKVPJGBL-STQMWFEESA-N 1 0 269.389 0.356 10 0 CCAERO CC(C)[NH2+]CCCC(=O)N1CCS(=O)(=O)CC1 ZINC000037633520 173581737 /nfs/dbraw/zinc/58/17/37/173581737.db2.gz SXAITUJOQXMKMR-UHFFFAOYSA-N 1 0 262.375 0.022 10 0 CCAERO CCC[NH2+]C1CCC(NS(=O)(=O)c2cn[nH]c2)CC1 ZINC000037744971 173667625 /nfs/dbraw/zinc/66/76/25/173667625.db2.gz GHFRWKIJSHRPRX-UHFFFAOYSA-N 1 0 286.401 0.999 10 0 CCAERO C[C@@]([NH3+])(C(=O)N1CCC[C@H](CNC(N)=O)C1)C1CC1 ZINC000037820968 173773643 /nfs/dbraw/zinc/77/36/43/173773643.db2.gz AWOBGYPKJRULSK-RNCFNFMXSA-N 1 0 268.361 0.021 10 0 CCAERO [NH3+]C1CCC(C(=O)N(CCO)CC(F)(F)F)CC1 ZINC000037827473 173785426 /nfs/dbraw/zinc/78/54/26/173785426.db2.gz NMVQUFNZKCTMCJ-UHFFFAOYSA-N 1 0 268.279 0.887 10 0 CCAERO C[C@H](CNS(=O)(=O)c1cn[nH]c1)[NH+]1CCCCC1 ZINC000038029592 174020475 /nfs/dbraw/zinc/02/04/75/174020475.db2.gz DLNXNSDUJJVZNC-SNVBAGLBSA-N 1 0 272.374 0.562 10 0 CCAERO CCN(CCC[NH2+][C@H](C)CC(=O)OC)S(C)(=O)=O ZINC000038035712 174033958 /nfs/dbraw/zinc/03/39/58/174033958.db2.gz ZTMPEAGWKAFNQT-SNVBAGLBSA-N 1 0 280.390 0.199 10 0 CCAERO CCN1C(=O)C[C@@H](NC[C@H](C)C[NH+]2CCCCC2)C1=O ZINC000038042093 174044019 /nfs/dbraw/zinc/04/40/19/174044019.db2.gz MMJWKYSFICLJRU-QWHCGFSZSA-N 1 0 281.400 0.845 10 0 CCAERO Cc1cc(NC(=O)[C@H]2CCCN2C2CC[NH2+]CC2)n(C)n1 ZINC000038042937 174047607 /nfs/dbraw/zinc/04/76/07/174047607.db2.gz NKFGBFZSXSIUGD-CYBMUJFWSA-N 1 0 291.399 0.883 10 0 CCAERO O=C(NC1CCOCC1)[C@H]1CCCN1C1CC[NH2+]CC1 ZINC000038043253 174050224 /nfs/dbraw/zinc/05/02/24/174050224.db2.gz NDCXHEAJQVQZAY-CQSZACIVSA-N 1 0 281.400 0.498 10 0 CCAERO Cc1[nH]c(=O)sc1S(=O)(=O)N[C@H]1CCCC[C@@H]1[NH3+] ZINC000038050245 174061568 /nfs/dbraw/zinc/06/15/68/174061568.db2.gz MTSIKIIFPXTYBA-YUMQZZPRSA-N 1 0 291.398 0.293 10 0 CCAERO Cn1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000038049960 174061647 /nfs/dbraw/zinc/06/16/47/174061647.db2.gz BTRFVBPNWSJCST-QWRGUYRKSA-N 1 0 257.359 0.573 10 0 CCAERO [NH3+]Cc1ccc(NC(=O)NC[C@H]2COCCO2)cc1 ZINC000038063232 174074842 /nfs/dbraw/zinc/07/48/42/174074842.db2.gz ASMMZMJYWBQTPW-LBPRGKRZSA-N 1 0 265.313 0.682 10 0 CCAERO C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)C(=O)N1CCCC1 ZINC000038084241 174094212 /nfs/dbraw/zinc/09/42/12/174094212.db2.gz BWHQTRVRNWCVKC-MNOVXSKESA-N 1 0 274.386 0.022 10 0 CCAERO CC[C@@H](C)NC(=O)C[NH2+]C1CCC(C(N)=O)CC1 ZINC000038092049 174105423 /nfs/dbraw/zinc/10/54/23/174105423.db2.gz YLNZVJDRSYLVLW-KPPDAEKUSA-N 1 0 255.362 0.535 10 0 CCAERO CC[C@H](C)NC(=O)C[NH2+]C1CCC(C(N)=O)CC1 ZINC000038092050 174105692 /nfs/dbraw/zinc/10/56/92/174105692.db2.gz YLNZVJDRSYLVLW-WHXUTIOJSA-N 1 0 255.362 0.535 10 0 CCAERO CC(C)(C)OC[C@H](O)C[NH2+]C1CCC(C(N)=O)CC1 ZINC000038091891 174105830 /nfs/dbraw/zinc/10/58/30/174105830.db2.gz KSMLPQZGFAZCJA-HTAVTVPLSA-N 1 0 272.389 0.796 10 0 CCAERO COC(=O)N1CCN(C(=O)[C@H]([NH3+])CC(C)C)CC1 ZINC000038101797 174117833 /nfs/dbraw/zinc/11/78/33/174117833.db2.gz KPAOMMLRUQRUOZ-SNVBAGLBSA-N 1 0 257.334 0.270 10 0 CCAERO O=C(N[C@H]1C[C@H]2C[C@@H]1C[NH2+]2)c1ccn2c[nH+]cc2c1 ZINC000039073320 174162634 /nfs/dbraw/zinc/16/26/34/174162634.db2.gz NLQYGXDOYSQJIX-WZRBSPASSA-N 1 0 256.309 0.815 10 0 CCAERO O=C(NC1CN([C@H]2CC[NH2+]C2)C1)OCc1ccccc1 ZINC000039952183 174177141 /nfs/dbraw/zinc/17/71/41/174177141.db2.gz QMNGNCBYHVEHES-AWEZNQCLSA-N 1 0 275.352 0.959 10 0 CCAERO CC(C)(C)[NH2+]C[C@H](O)COc1nsnc1NCCO ZINC000040505464 174301499 /nfs/dbraw/zinc/30/14/99/174301499.db2.gz ATTFJZVUWAYAIV-QMMMGPOBSA-N 1 0 290.389 0.070 10 0 CCAERO COC(=O)c1ccccc1Nc1nc[nH+]c(NN)c1N ZINC000040761570 174397028 /nfs/dbraw/zinc/39/70/28/174397028.db2.gz VJQMFHSVSYEIKN-UHFFFAOYSA-N 1 0 274.284 0.875 10 0 CCAERO CC(C)n1nnnc1CN(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662331325 414710578 /nfs/dbraw/zinc/71/05/78/414710578.db2.gz GLYKYSISDHHHLX-ZETCQYMHSA-N 1 0 266.271 0.575 10 0 CCAERO [NH3+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC000662749420 414759362 /nfs/dbraw/zinc/75/93/62/414759362.db2.gz LXMZUCOKGPSFIJ-AYMMMOKOSA-N 1 0 262.313 0.303 10 0 CCAERO O=C([C@H]1C[C@H]2C[C@H]2C1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000662778323 414785256 /nfs/dbraw/zinc/78/52/56/414785256.db2.gz GOXABGLGAVOSDM-QWQWKMKNSA-N 1 0 250.342 0.622 10 0 CCAERO CC[C@H](C)CCNC(=O)[C@H]([NH3+])CCS(C)(=O)=O ZINC000662627264 414734540 /nfs/dbraw/zinc/73/45/40/414734540.db2.gz PFAFGQGSTUEFTJ-VHSXEESVSA-N 1 0 264.391 0.301 10 0 CCAERO CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H]1CC(=O)N(C)C1 ZINC000662691694 414741897 /nfs/dbraw/zinc/74/18/97/414741897.db2.gz AAJIHOLDOSRLRM-RYUDHWBXSA-N 1 0 269.389 0.592 10 0 CCAERO CN1C[C@@H](CNC(=O)[C@@H]([NH3+])CC2CCCCC2)CC1=O ZINC000662693289 414742008 /nfs/dbraw/zinc/74/20/08/414742008.db2.gz JAULUQNSGUPGOK-OLZOCXBDSA-N 1 0 281.400 0.879 10 0 CCAERO CN(C(=O)CCn1ccccc1=O)[C@H](C[NH3+])C(F)(F)F ZINC000662980132 414932147 /nfs/dbraw/zinc/93/21/47/414932147.db2.gz OBSGZCHQOPXLMM-SECBINFHSA-N 1 0 291.273 0.586 10 0 CCAERO COC[C@]1(C(=O)N2CCO[C@](C)(C(F)F)C2)CCC[NH2+]1 ZINC000663001506 414940644 /nfs/dbraw/zinc/94/06/44/414940644.db2.gz DXVHYAJHQHPRHI-STQMWFEESA-N 1 0 292.326 0.638 10 0 CCAERO CN1C[C@H](CNC(=O)[C@@](C)([NH3+])c2ccccc2)CC1=O ZINC000662886705 414869934 /nfs/dbraw/zinc/86/99/34/414869934.db2.gz KVDYPSWZJCYHQA-NHYWBVRUSA-N 1 0 275.352 0.455 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000662920551 414894320 /nfs/dbraw/zinc/89/43/20/414894320.db2.gz YJHZEZYOLKIAAR-LOWDOPEQSA-N 1 0 252.358 0.856 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000662920550 414894574 /nfs/dbraw/zinc/89/45/74/414894574.db2.gz YJHZEZYOLKIAAR-CYDGBPFRSA-N 1 0 252.358 0.856 10 0 CCAERO CO[C@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)C1CCCCC1 ZINC000662928605 414898190 /nfs/dbraw/zinc/89/81/90/414898190.db2.gz RCHOJMKZLBZMRG-JHJVBQTASA-N 1 0 270.373 0.421 10 0 CCAERO CNS(=O)(=O)c1ccc(N[C@@H]2CC[N@H+](C)C2)cc1 ZINC000042548045 174787884 /nfs/dbraw/zinc/78/78/84/174787884.db2.gz LAKHKSCYHRGNAQ-LLVKDONJSA-N 1 0 269.370 0.711 10 0 CCAERO CC(=O)N1CCCN([C@H](C[NH3+])C(F)(F)F)CC1 ZINC000042614134 174826393 /nfs/dbraw/zinc/82/63/93/174826393.db2.gz PMPZZGRXHHCLTC-SECBINFHSA-N 1 0 253.268 0.430 10 0 CCAERO OCC1CC([NH2+]C[C@@H](O)COc2ccccc2F)C1 ZINC000663373985 415052789 /nfs/dbraw/zinc/05/27/89/415052789.db2.gz ABYKJPZJOHUVNY-HTAVTVPLSA-N 1 0 269.316 0.926 10 0 CCAERO [NH3+]Cc1ccccc1S(=O)(=O)NC[C@H]1CCCCO1 ZINC000042820606 174886663 /nfs/dbraw/zinc/88/66/63/174886663.db2.gz UXELIBHHPVOKEC-GFCCVEGCSA-N 1 0 284.381 0.993 10 0 CCAERO CCOc1cc(NC[C@@H]2C[NH2+]C[C@H]2O)nc(C)n1 ZINC000663272405 415032468 /nfs/dbraw/zinc/03/24/68/415032468.db2.gz NVFDGZUAQLXRPO-VHSXEESVSA-N 1 0 252.318 0.176 10 0 CCAERO CC[C@@H]([NH3+])[C@@H](c1ccc(F)cc1)N(CCO)CCO ZINC000042914913 174914029 /nfs/dbraw/zinc/91/40/29/174914029.db2.gz WSTGOISCTKKSEI-ZIAGYGMSSA-N 1 0 270.348 0.891 10 0 CCAERO O=C1NC2(CCCC2)C(=O)N1C[C@@H]1CCC[NH2+]C1 ZINC000043493727 175057701 /nfs/dbraw/zinc/05/77/01/175057701.db2.gz AOLPUIPJTCIELA-SNVBAGLBSA-N 1 0 251.330 0.851 10 0 CCAERO [NH3+]CC1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000044514680 175189529 /nfs/dbraw/zinc/18/95/29/175189529.db2.gz KHDCNHSBHPKMKC-UHFFFAOYSA-N 1 0 279.365 0.806 10 0 CCAERO CCC[NH+]1CCN(C(=O)[C@@H](CC)C(N)=S)CC1 ZINC000044832731 175261702 /nfs/dbraw/zinc/26/17/02/175261702.db2.gz YVTQWISDQBNXNY-JTQLQIEISA-N 1 0 257.403 0.853 10 0 CCAERO Cn1ncc2c1ncn(CCC[C@H]1CCC[NH2+]1)c2=O ZINC000071204847 176079455 /nfs/dbraw/zinc/07/94/55/176079455.db2.gz WURZDPXSBBOPKW-SNVBAGLBSA-N 1 0 261.329 0.662 10 0 CCAERO Cc1ncsc1CNC(=O)CN1CCC[NH2+]CC1 ZINC000071213482 176085416 /nfs/dbraw/zinc/08/54/16/176085416.db2.gz GULJDUKIVFTVAQ-UHFFFAOYSA-N 1 0 268.386 0.363 10 0 CCAERO CC[C@H](C)CNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000071221285 176087060 /nfs/dbraw/zinc/08/70/60/176087060.db2.gz UMEYECSNXCVDMV-JTQLQIEISA-N 1 0 265.361 0.979 10 0 CCAERO CCC(C)(C)NC(=O)C[N@H+](CCOC)CCC(N)=S ZINC000071225410 176088930 /nfs/dbraw/zinc/08/89/30/176088930.db2.gz OVXPBRITZIZVOJ-UHFFFAOYSA-N 1 0 289.445 0.916 10 0 CCAERO COCCCS(=O)(=O)NC1(C[NH3+])CCCCCC1 ZINC000071233245 176092776 /nfs/dbraw/zinc/09/27/76/176092776.db2.gz WSLJSECIDWNHHL-UHFFFAOYSA-N 1 0 278.418 0.994 10 0 CCAERO C[C@@H]1C[C@H]1NS(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000071244628 176094784 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GOVLAJMWKSRHFV-OCCSQVGLSA-N 1 0 279.384 0.996 10 0 CCAERO COc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCCNC1=O)CO2 ZINC000333809999 545043469 /nfs/dbraw/zinc/04/34/69/545043469.db2.gz HUIUGOFRPUFECO-DGCLKSJQSA-N 1 0 276.336 0.867 10 0 CCAERO C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000333809069 545043487 /nfs/dbraw/zinc/04/34/87/545043487.db2.gz ZUAAZFZFBOQWNN-NWDGAFQWSA-N 1 0 277.372 0.995 10 0 CCAERO CN(C(=O)N[C@@H]1CCc2ccccc21)[C@H]1C[NH2+]C[C@@H]1O ZINC000333925680 545044448 /nfs/dbraw/zinc/04/44/48/545044448.db2.gz UWGRYOGTXUMCGN-RDBSUJKOSA-N 1 0 275.352 0.648 10 0 CCAERO CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000332725102 545031966 /nfs/dbraw/zinc/03/19/66/545031966.db2.gz NCGWSRLYJZKMFS-AGIUHOORSA-N 1 0 294.399 0.533 10 0 CCAERO C[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCOCC1 ZINC000332829515 545034684 /nfs/dbraw/zinc/03/46/84/545034684.db2.gz AYRHQXNUKYLSQB-QWHCGFSZSA-N 1 0 296.415 0.243 10 0 CCAERO 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CC(C)[NH2+][C@H](CCN1CCO[C@H]2CCC[C@@H]21)C(N)=O ZINC000062461397 519738400 /nfs/dbraw/zinc/73/84/00/519738400.db2.gz ROCTVZUQICETEW-AGIUHOORSA-N 1 0 269.389 0.482 10 0 CCAERO CCC[NH2+][C@H](CCN(C)C1CC[NH+](C)CC1)C(=O)[O-] ZINC000062443226 520069052 /nfs/dbraw/zinc/06/90/52/520069052.db2.gz TUTDVPKNDLNXEZ-CYBMUJFWSA-N 1 0 271.405 0.855 10 0 CCAERO CC[NH2+][C@H](C)CC(=O)N(C)Cc1nnc2n1CCC2 ZINC000061272506 520163174 /nfs/dbraw/zinc/16/31/74/520163174.db2.gz IFUQQEFYFUOPKK-SNVBAGLBSA-N 1 0 265.361 0.571 10 0 CCAERO CN[C@@H](CC[N@H+](C)CCc1ccncc1)C(N)=O ZINC000062452499 522342173 /nfs/dbraw/zinc/34/21/73/522342173.db2.gz VZSIFLBGWABSEG-LBPRGKRZSA-N 1 0 250.346 0.019 10 0 CCAERO C[C@H]1CN(C(=O)c2cn(-c3ccccc3)nn2)C[C@@H]1[NH3+] ZINC000423940329 533892018 /nfs/dbraw/zinc/89/20/18/533892018.db2.gz BWOMONWRVXWLGQ-JQWIXIFHSA-N 1 0 271.324 0.687 10 0 CCAERO CC(C)(C)[NH2+]Cc1cnc(CS(C)(=O)=O)nc1 ZINC000054856528 518768116 /nfs/dbraw/zinc/76/81/16/518768116.db2.gz WCDPJWNSOHDLLF-UHFFFAOYSA-N 1 0 257.359 0.909 10 0 CCAERO CC(=O)N1CCN(C(=O)[C@H]2CC[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000055123443 519579483 /nfs/dbraw/zinc/57/94/83/519579483.db2.gz MULJSDMXIOZEQB-DRZSPHRISA-N 1 0 267.373 0.441 10 0 CCAERO CC(C)[NH2+]C[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000053012455 519723579 /nfs/dbraw/zinc/72/35/79/519723579.db2.gz XDMSPTTUIFGEMR-AWEZNQCLSA-N 1 0 255.406 0.639 10 0 CCAERO CC(C)[C@@H](CN(C)C)[NH2+]CC(=O)N1CCOCC1 ZINC000049216291 519793638 /nfs/dbraw/zinc/79/36/38/519793638.db2.gz LIUGSJNBZMJBIS-GFCCVEGCSA-N 1 0 257.378 0.021 10 0 CCAERO CC[NH2+]CCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000061294672 519915945 /nfs/dbraw/zinc/91/59/45/519915945.db2.gz XPFSOEVXLOYCOC-UHFFFAOYSA-N 1 0 253.346 0.067 10 0 CCAERO CC[NH2+]CCC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000061293822 519916761 /nfs/dbraw/zinc/91/67/61/519916761.db2.gz YOBNAMMHJNYMJQ-NSHDSACASA-N 1 0 255.362 0.503 10 0 CCAERO CC[NH2+]CCS(=O)(=O)Nc1ccnn1C(C)C ZINC000049640733 519928385 /nfs/dbraw/zinc/92/83/85/519928385.db2.gz TWHBSWDTHNCUSB-UHFFFAOYSA-N 1 0 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277.372 0.584 10 0 CCAERO COc1cccc([C@H](O)C(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000163126392 631618915 /nfs/dbraw/zinc/61/89/15/631618915.db2.gz POSPYJTUTQQBJY-OCCSQVGLSA-N 1 0 278.352 0.891 10 0 CCAERO C[NH2+]C[C@@H]1CCN(C(=O)[C@H](CC(C)C)NC(=O)OC)C1 ZINC000178982311 631932258 /nfs/dbraw/zinc/93/22/58/631932258.db2.gz LNKNDCFSFDEZDD-RYUDHWBXSA-N 1 0 285.388 0.825 10 0 CCAERO Cc1cnc([C@H](C)NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)o1 ZINC000897338712 632561048 /nfs/dbraw/zinc/56/10/48/632561048.db2.gz RBBWLJCFVICKQV-CMPLNLGQSA-N 1 0 279.340 0.881 10 0 CCAERO C[C@@H]1[C@@H](O)CCCN1C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897895819 633252324 /nfs/dbraw/zinc/25/23/24/633252324.db2.gz HXVMEMMTSNDVBP-WXHSDQCUSA-N 1 0 268.357 0.079 10 0 CCAERO CN1CCN(S(=O)(=O)/C=C/c2ccccc2)[C@@H](C[NH3+])C1 ZINC000226619857 636990560 /nfs/dbraw/zinc/99/05/60/636990560.db2.gz MHOVOSXOVMDBHN-RNVIBTMRSA-N 1 0 295.408 0.562 10 0 CCAERO O=C(N[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CO[C@H]2C=CC=C[C@@H]2O1 ZINC000226696621 636995989 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VNSWVCZNFWZJKY-GMOCCLDISA-N 1 0 287.363 0.764 10 0 CCAERO O=C1CCCN1C[C@H](O)C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000252442440 649825862 /nfs/dbraw/zinc/82/58/62/649825862.db2.gz ZYNJWPHQYPJPMD-QWHCGFSZSA-N 1 0 298.383 0.055 10 0 CCAERO COc1ccc(C(=O)NCCC[NH+](C)C)c(N)c1 ZINC000082697794 178197615 /nfs/dbraw/zinc/19/76/15/178197615.db2.gz HFYHNIQTHSNHFF-UHFFFAOYSA-N 1 0 251.330 0.959 10 0 CCAERO CN(C)C(=O)CN1CCc2c(C[NH+](C)C)cncc2C1 ZINC000096067397 185085844 /nfs/dbraw/zinc/08/58/44/185085844.db2.gz JOHTZUIRXABOCV-UHFFFAOYSA-N 1 0 276.384 0.590 10 0 CCAERO CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000093344631 349540315 /nfs/dbraw/zinc/54/03/15/349540315.db2.gz HIPQAOQHYLFHLI-WOPDTQHZSA-N 1 0 285.388 0.559 10 0 CCAERO Cc1cnc(S(=O)(=O)C[C@H]2CCC[NH2+]2)nc1Cl ZINC000095068692 349585685 /nfs/dbraw/zinc/58/56/85/349585685.db2.gz LYHSGQOSKWHCRV-MRVPVSSYSA-N 1 0 275.761 0.964 10 0 CCAERO Cc1ccc(S(=O)(=O)N2CCC([NH3+])CC2)nc1 ZINC000095069022 349586312 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ZINC000105870844 349726596 /nfs/dbraw/zinc/72/65/96/349726596.db2.gz UJGYRXADIHMJCG-TZMCWYRMSA-N 1 0 299.378 0.887 10 0 CCAERO CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000110361552 349759683 /nfs/dbraw/zinc/75/96/83/349759683.db2.gz LQCWLIQMQULSCW-NSHDSACASA-N 1 0 267.373 0.455 10 0 CCAERO CC(C)n1nnnc1CN1CCC[C@H]([NH+](C)C)C1 ZINC000111249687 349768118 /nfs/dbraw/zinc/76/81/18/349768118.db2.gz PNLSWICHCCCXEZ-NSHDSACASA-N 1 0 252.366 0.780 10 0 CCAERO Cc1n[nH]cc1CCCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000111272263 349769210 /nfs/dbraw/zinc/76/92/10/349769210.db2.gz FSCKGYXIMOEUHE-BXKDBHETSA-N 1 0 250.346 0.622 10 0 CCAERO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](C)CC1CC1 ZINC000126354976 187234539 /nfs/dbraw/zinc/23/45/39/187234539.db2.gz LFLQQBRDEXAGPA-CABZTGNLSA-N 1 0 255.362 0.391 10 0 CCAERO CC(C)n1nnnc1CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000113270790 349806742 /nfs/dbraw/zinc/80/67/42/349806742.db2.gz SWDXKBYTYXXWDI-VXGBXAGGSA-N 1 0 264.377 0.923 10 0 CCAERO C[C@@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000126823923 187264739 /nfs/dbraw/zinc/26/47/39/187264739.db2.gz BUIOQPWEAGTXQU-ZYHUDNBSSA-N 1 0 276.340 0.675 10 0 CCAERO CCC[C@@H](C(=O)OCC)N1CCO[C@H](C[NH+](C)C)C1 ZINC000114803124 349840223 /nfs/dbraw/zinc/84/02/23/349840223.db2.gz KBBSEEWPDNMUFK-OLZOCXBDSA-N 1 0 272.389 0.981 10 0 CCAERO CN(CC(=O)N1CCC[C@H]2CCCC[C@@H]21)[C@H]1C[NH2+]C[C@@H]1O ZINC000333846145 529827700 /nfs/dbraw/zinc/82/77/00/529827700.db2.gz MIQNHFHSNMFYBP-QPSCCSFWSA-N 1 0 295.427 0.432 10 0 CCAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H]1CCN(C)C1=O)CC2 ZINC000116278411 349866922 /nfs/dbraw/zinc/86/69/22/349866922.db2.gz XXXHGOWXVLEJFX-MNOVXSKESA-N 1 0 277.372 0.537 10 0 CCAERO Cc1noc(C)c1CC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116786373 349871906 /nfs/dbraw/zinc/87/19/06/349871906.db2.gz SXIPRLRGQDNSCP-GFCCVEGCSA-N 1 0 281.356 0.623 10 0 CCAERO C[C@@H](OCC1CC1)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116794727 349872861 /nfs/dbraw/zinc/87/28/61/349872861.db2.gz 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276.340 0.362 10 0 CCAERO CN(C)c1nc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc(=O)[nH]1 ZINC000407993343 357856698 /nfs/dbraw/zinc/85/66/98/357856698.db2.gz XRGUBQYMEQEIOY-VIFPVBQESA-N 1 0 279.344 0.024 10 0 CCAERO Cc1nc(C)c(C[N@@H+]2CCC[C@@](O)(C(N)=O)C2)s1 ZINC000407949163 357832247 /nfs/dbraw/zinc/83/22/47/357832247.db2.gz WIFCLDJXKZXPTP-LBPRGKRZSA-N 1 0 269.370 0.572 10 0 CCAERO COc1ncc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)c(C)n1 ZINC000407959832 357839548 /nfs/dbraw/zinc/83/95/48/357839548.db2.gz VSEBGRUEOMCPNC-BXKDBHETSA-N 1 0 251.330 0.996 10 0 CCAERO Cc1noc([C@H]2CN(C[C@@H](O)C(F)(F)F)CCN2C)n1 ZINC000408035254 357877848 /nfs/dbraw/zinc/87/78/48/357877848.db2.gz KDQHEMJDHAEFLR-RKDXNWHRSA-N 1 0 294.277 0.590 10 0 CCAERO Cc1noc([C@@H]2C[N@@H+](CC3(O)CCCC3)CCN2C)n1 ZINC000408036191 357879375 /nfs/dbraw/zinc/87/93/75/357879375.db2.gz QFFAWIZDYAKSFG-LBPRGKRZSA-N 1 0 280.372 0.972 10 0 CCAERO C[C@@H]1C[N@H+](CC(=O)NC2CCCCC2)C[C@H]1C(N)=O ZINC000408046042 357886035 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CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)C1CC1 ZINC000262036145 190047886 /nfs/dbraw/zinc/04/78/86/190047886.db2.gz YACXEASRGAOABO-OLZOCXBDSA-N 1 0 262.357 0.734 10 0 CCAERO CCN(CCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)c1cccc(C)c1 ZINC000262313135 190053106 /nfs/dbraw/zinc/05/31/06/190053106.db2.gz BRURITBYTCWOKK-CABCVRRESA-N 1 0 291.395 0.660 10 0 CCAERO C[NH2+][C@H](C(=O)N1C[C@@H]2CCC[C@H]2C1)c1cnn(C)c1 ZINC000262582513 190058064 /nfs/dbraw/zinc/05/80/64/190058064.db2.gz UTUVAHJWMZORCN-GVXVVHGQSA-N 1 0 262.357 0.939 10 0 CCAERO CC(C)(CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)c1cccc(F)c1 ZINC000262413869 190054587 /nfs/dbraw/zinc/05/45/87/190054587.db2.gz PRAWJWKCYUGPQY-OLZOCXBDSA-N 1 0 280.343 0.942 10 0 CCAERO CCc1ccc(CCNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000262564740 190057538 /nfs/dbraw/zinc/05/75/38/190057538.db2.gz XPHXRXLADTZHLV-KBPBESRZSA-N 1 0 262.353 0.631 10 0 CCAERO COc1cc(CN2CC[C@@H]3OCC[NH2+][C@H]3C2)on1 ZINC000641799766 377469972 /nfs/dbraw/zinc/46/99/72/377469972.db2.gz 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284.363 0.821 10 0 CCAERO OCC[NH2+]CCNCc1cccc(Oc2ncccn2)c1 ZINC000022937312 388798763 /nfs/dbraw/zinc/79/87/63/388798763.db2.gz NQHDRCAFJYDCNF-UHFFFAOYSA-N 1 0 288.351 0.940 10 0 CCAERO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc(C4CC4)n[nH]3)[C@@H]2C1 ZINC000285808864 388799230 /nfs/dbraw/zinc/79/92/30/388799230.db2.gz OJUYZUFPBCBPBY-KGLIPLIRSA-N 1 0 290.367 0.832 10 0 CCAERO CC[C@@H]1C[C@@H](C(=O)N2CCO[C@H](C[NH+](C)C)C2)CCO1 ZINC000183821459 388762648 /nfs/dbraw/zinc/76/26/48/388762648.db2.gz AWTAHVVVIDUYEQ-BFHYXJOUSA-N 1 0 284.400 0.981 10 0 CCAERO CCN(CC)C(=O)CSc1nnc(CCC[NH3+])o1 ZINC000011847804 388775433 /nfs/dbraw/zinc/77/54/33/388775433.db2.gz QKCXGQUCCARECE-UHFFFAOYSA-N 1 0 272.374 0.921 10 0 CCAERO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000185882110 388816447 /nfs/dbraw/zinc/81/64/47/388816447.db2.gz ABECUNIPIRFIBH-SMDDNHRTSA-N 1 0 272.389 0.892 10 0 CCAERO CN1CCO[C@@H](C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)C1 ZINC000186527214 388839634 /nfs/dbraw/zinc/83/96/34/388839634.db2.gz 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ZINC000575461285 397581002 /nfs/dbraw/zinc/58/10/02/397581002.db2.gz TUQPYRXLSLKNTP-JTQLQIEISA-N 1 0 272.304 0.804 10 0 CCAERO Cc1ccc(N2CCC[C@H](N[C@H]3CC[NH2+]C3)C2)nn1 ZINC000333249902 292133979 /nfs/dbraw/zinc/13/39/79/292133979.db2.gz GNELXOKFOGVHPX-STQMWFEESA-N 1 0 261.373 0.705 10 0 CCAERO CO[C@H]1C[C@@H](C(=O)N2CCC[C@@H](O)CC2)[N@H+](C)C1 ZINC000408176135 286082159 /nfs/dbraw/zinc/08/21/59/286082159.db2.gz CDWCKBCSRHWMLU-WOPDTQHZSA-N 1 0 256.346 0.079 10 0 CCAERO CO[C@H]1C[C@@H](C(=O)N2CCN(C(C)=O)CC2(C)C)[N@H+](C)C1 ZINC000408055914 286082879 /nfs/dbraw/zinc/08/28/79/286082879.db2.gz YGYZJPGSVIQMGT-STQMWFEESA-N 1 0 297.399 0.175 10 0 CCAERO CO[C@H]1C[C@H](C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)N(C(C)=O)C1 ZINC000408272302 286104364 /nfs/dbraw/zinc/10/43/64/286104364.db2.gz BLOJJZLSIOGICP-YIYPIFLZSA-N 1 0 297.399 0.221 10 0 CCAERO c1cn([C@@H]2COC[C@@H]2[NH2+]C[C@H]2CCCOC2)nn1 ZINC000328916668 296631193 /nfs/dbraw/zinc/63/11/93/296631193.db2.gz AOSTYRUQRVBKAI-GRYCIOLGSA-N 1 0 252.318 0.234 10 0 CCAERO CCN(CC)S(=O)(=O)C[C@@H]([NH3+])C1CCOCC1 ZINC000757152053 581681813 /nfs/dbraw/zinc/68/18/13/581681813.db2.gz RFSVUDRTSBPDCT-LLVKDONJSA-N 1 0 264.391 0.412 10 0 CCAERO CCO[C@@H]1C[C@@H]([NH2+]CCOCCO)C12CCOCC2 ZINC000186211480 286281939 /nfs/dbraw/zinc/28/19/39/286281939.db2.gz NIMNXUDIZRTRQY-CHWSQXEVSA-N 1 0 273.373 0.559 10 0 CCAERO C[C@@H](C[NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC000054340639 286822661 /nfs/dbraw/zinc/82/26/61/286822661.db2.gz BFZMNRCJSYQBKS-CABZTGNLSA-N 1 0 261.325 0.020 10 0 CCAERO COC[C@H](CCNC(=O)[C@H]1CCC[NH2+][C@@H]1C)OC ZINC000659334736 413427392 /nfs/dbraw/zinc/42/73/92/413427392.db2.gz DIKCPELUCGROEA-WOPDTQHZSA-N 1 0 258.362 0.542 10 0 CCAERO O=C(C[C@@H]1CCC[NH2+]C1)NCCO[C@@H]1CC1(F)F ZINC000659345807 413438346 /nfs/dbraw/zinc/43/83/46/413438346.db2.gz OYUPKSADGQVALI-VHSXEESVSA-N 1 0 262.300 0.917 10 0 CCAERO CC(C)(F)CCNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000659359711 413442630 /nfs/dbraw/zinc/44/26/30/413442630.db2.gz VMPVAOXTIUKWSA-UHFFFAOYSA-N 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ZINC000020189089 171054593 /nfs/dbraw/zinc/05/45/93/171054593.db2.gz GXCIFYJXCPUQHO-UHFFFAOYSA-N 1 0 276.333 0.599 10 0 CCAERO COc1ccc(S(=O)(=O)NC2CC2)cc1C[NH3+] ZINC000020189865 171056878 /nfs/dbraw/zinc/05/68/78/171056878.db2.gz ZEYYKEVIIOQVCC-UHFFFAOYSA-N 1 0 256.327 0.595 10 0 CCAERO [NH3+]Cc1cccc(NS(=O)(=O)N2CCOCC2)c1 ZINC000020254522 171107430 /nfs/dbraw/zinc/10/74/30/171107430.db2.gz GSKMREVYOQOZLY-UHFFFAOYSA-N 1 0 271.342 0.134 10 0 CCAERO CC(C)CNC(=O)[C@@H](C)[NH2+][C@@H]1CN2CCC1CC2 ZINC000020358431 171157681 /nfs/dbraw/zinc/15/76/81/171157681.db2.gz ZGLGGDHMWLERGV-DGCLKSJQSA-N 1 0 253.390 0.831 10 0 CCAERO Cn1nccc1[C@H]1[C@H]([NH2+][C@@H]2CCOC2)CC(=O)N1C ZINC000284633418 196100503 /nfs/dbraw/zinc/10/05/03/196100503.db2.gz UCDVVCLXQIWMIF-GIPNMCIBSA-N 1 0 264.329 0.070 10 0 CCAERO CCOc1ccc(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000020433908 171199028 /nfs/dbraw/zinc/19/90/28/171199028.db2.gz QIWFYOPBXBLSMW-JQWIXIFHSA-N 1 0 250.298 0.747 10 0 CCAERO C[C@@H]1CN([C@]2(C[NH3+])CN3CCC2CC3)C[C@@H](C)O1 ZINC000020442140 171205374 /nfs/dbraw/zinc/20/53/74/171205374.db2.gz SEEJPRUWFUYQOM-YRGRVCCFSA-N 1 0 253.390 0.519 10 0 CCAERO C[C@H](C(=O)N1CCCC[C@H]1CCO)N1CC[NH2+]CC1 ZINC000020521347 171234735 /nfs/dbraw/zinc/23/47/35/171234735.db2.gz SSHRZCXVQBULQY-OLZOCXBDSA-N 1 0 269.389 0.044 10 0 CCAERO COc1ccc([C@H]([NH3+])CC(N)=O)c(OC)c1OC ZINC000020577978 171256416 /nfs/dbraw/zinc/25/64/16/171256416.db2.gz DQFLBZHSHBRAIS-MRVPVSSYSA-N 1 0 254.286 0.588 10 0 CCAERO Cc1c(C)n2c(CSC(N)=[NH2+])c(C)c(=O)n2c1=O ZINC000022061674 171351747 /nfs/dbraw/zinc/35/17/47/171351747.db2.gz AORHWAFGCAUVHB-UHFFFAOYSA-N 1 0 266.326 0.249 10 0 in-vitro CCAERO COc1coc(CN2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)cc1=O ZINC000284774336 196129422 /nfs/dbraw/zinc/12/94/22/196129422.db2.gz HKWUEJSATKORBP-GXTWGEPZSA-N 1 0 294.351 0.553 10 0 CCAERO C[C@H](C(=O)Nc1ccc(C[NH3+])cc1)N1CCC(O)CC1 ZINC000022218561 171376650 /nfs/dbraw/zinc/37/66/50/171376650.db2.gz RUKXIFBSSUFVGK-LLVKDONJSA-N 1 0 277.368 0.929 10 0 CCAERO Cn1ccc(=NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)[nH]1 ZINC000653061221 412206371 /nfs/dbraw/zinc/20/63/71/412206371.db2.gz GIAFWTVVEDPZHZ-RNFRBKRXSA-N 1 0 262.235 0.178 10 0 CCAERO CCCNC(=O)CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653077063 412209530 /nfs/dbraw/zinc/20/95/30/412209530.db2.gz NJKPRWHDTOCLSR-RKDXNWHRSA-N 1 0 295.305 0.417 10 0 CCAERO O=C(NC[C@H]1CCCOC1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653074316 412209997 /nfs/dbraw/zinc/20/99/97/412209997.db2.gz DIFHSWUCVIUNTQ-OPRDCNLKSA-N 1 0 280.290 0.927 10 0 CCAERO COCC[N@H+](C)CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653114453 412225488 /nfs/dbraw/zinc/22/54/88/412225488.db2.gz IRUCZQXXIWAGII-NXEZZACHSA-N 1 0 297.321 0.079 10 0 CCAERO C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653113886 412226327 /nfs/dbraw/zinc/22/63/27/412226327.db2.gz QYUIBXCDSYIIDD-HBNTYKKESA-N 1 0 293.333 0.842 10 0 CCAERO Cc1[nH]c2ccccc2c1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000653138893 412238771 /nfs/dbraw/zinc/23/87/71/412238771.db2.gz NEXMHUWMUCPNPL-GXFFZTMASA-N 1 0 273.336 0.786 10 0 CCAERO O=C([C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N1CCc2n[nH]cc2C1 ZINC000653147827 412242421 /nfs/dbraw/zinc/24/24/21/412242421.db2.gz BJLQEMMNABTOSS-RKDXNWHRSA-N 1 0 288.273 0.692 10 0 CCAERO CNC(=O)[C@@H](C)Oc1cc(C[NH2+]C)ccc1OC ZINC000034817165 171870132 /nfs/dbraw/zinc/87/01/32/171870132.db2.gz SOYXKOPXSHGPQV-SECBINFHSA-N 1 0 252.314 0.928 10 0 CCAERO CCCNC(=O)C[NH2+][C@@H](C)C(=O)N[C@@H](C)CCC ZINC000035207108 172051566 /nfs/dbraw/zinc/05/15/66/172051566.db2.gz RBVLLATYVHLWMX-QWRGUYRKSA-N 1 0 257.378 0.796 10 0 CCAERO NS(=O)(=O)c1ccc(N2CCC[NH2+]CC2)cc1 ZINC000035348701 172143257 /nfs/dbraw/zinc/14/32/57/172143257.db2.gz GKXAULNSPOMQAZ-UHFFFAOYSA-N 1 0 255.343 0.134 10 0 CCAERO CO[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(F)ccc1F ZINC000036235851 172532410 /nfs/dbraw/zinc/53/24/10/172532410.db2.gz ABVXSRRXXIKSCU-QWRGUYRKSA-N 1 0 256.252 0.681 10 0 CCAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C3=COCCO3)C[C@@H]2C1 ZINC000036261623 172554690 /nfs/dbraw/zinc/55/46/90/172554690.db2.gz VWMRODCRIYVBGR-OUAUKWLOSA-N 1 0 252.314 0.460 10 0 CCAERO CN(C)S(=O)(=O)c1ccc(N[C@H]2C[C@H]2[NH3+])cc1 ZINC000036267596 172562529 /nfs/dbraw/zinc/56/25/29/172562529.db2.gz UJJRDEIGZZCJPN-MNOVXSKESA-N 1 0 255.343 0.448 10 0 CCAERO NC(=O)c1ccc(OC[C@H](O)C[NH2+]C2CC2)cc1 ZINC000036951128 172824588 /nfs/dbraw/zinc/82/45/88/172824588.db2.gz SLLVRHNPUGJHOS-LLVKDONJSA-N 1 0 250.298 0.277 10 0 CCAERO C[C@H](CS(C)(=O)=O)[N@H+](C)C[C@@H]1CCC[C@@H](O)C1 ZINC000659921581 413975167 /nfs/dbraw/zinc/97/51/67/413975167.db2.gz ZHASDYACQFWZLX-IJLUTSLNSA-N 1 0 263.403 0.902 10 0 CCAERO NC(=O)NC1CC[NH+](C[C@H]2CCC[C@H](O)C2)CC1 ZINC000659994619 414034056 /nfs/dbraw/zinc/03/40/56/414034056.db2.gz XRCATDYGRQUBSR-JQWIXIFHSA-N 1 0 255.362 0.670 10 0 CCAERO CCN(C1CC[NH2+]CC1)S(=O)(=O)Cc1cc(C)on1 ZINC000037537911 173257957 /nfs/dbraw/zinc/25/79/57/173257957.db2.gz GBJUMKHFDAAFQJ-UHFFFAOYSA-N 1 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Cc1ccc(-n2cc(S(C)(=O)=O)cn2)c(C(N)=[NH2+])c1 ZINC000725251728 545877560 /nfs/dbraw/zinc/87/75/60/545877560.db2.gz MQNOZQHXVMWYRT-UHFFFAOYSA-N 1 0 278.337 0.868 10 0 CCAERO CS(=O)(=O)c1cnn([C@H](C[NH3+])c2ccco2)c1 ZINC000725253253 545878046 /nfs/dbraw/zinc/87/80/46/545878046.db2.gz SHFLDNYPBOXVJZ-SECBINFHSA-N 1 0 255.299 0.428 10 0 CCAERO C[NH2+][C@@H]1CCC[C@H](n2cc(S(C)(=O)=O)cn2)C1 ZINC000725252529 545877256 /nfs/dbraw/zinc/87/72/56/545877256.db2.gz MUBRADVELKYOOU-ZJUUUORDSA-N 1 0 257.359 0.990 10 0 CCAERO CS(=O)(=O)c1cnn(-c2ccc(C[NH3+])cn2)c1 ZINC000725251671 545877358 /nfs/dbraw/zinc/87/73/58/545877358.db2.gz DFVOFFCDVDEFGB-UHFFFAOYSA-N 1 0 252.299 0.130 10 0 CCAERO CC1(C)CC[C@@H](n2cc(S(C)(=O)=O)cn2)[C@@H]1[NH3+] ZINC000725253539 545878825 /nfs/dbraw/zinc/87/88/25/545878825.db2.gz WRYXXXJVTXRUHC-ZJUUUORDSA-N 1 0 257.359 0.975 10 0 CCAERO C[C@H]([NH3+])[C@@H](c1ccco1)n1cc(S(C)(=O)=O)cn1 ZINC000725252571 545878330 /nfs/dbraw/zinc/87/83/30/545878330.db2.gz NJJGQHUMXLYYBS-KWQFWETISA-N 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CC(=O)N1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089454410 544513111 /nfs/dbraw/zinc/51/31/11/544513111.db2.gz ZFDAKEUVQGDDBR-VXGBXAGGSA-N 1 0 253.346 0.052 10 0 CCAERO CC(C)CN(CC(N)=O)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089457334 544514208 /nfs/dbraw/zinc/51/42/08/544514208.db2.gz RVMLAIUIPFABGB-MNOVXSKESA-N 1 0 255.362 0.331 10 0 CCAERO CN(Cc1nccn1C)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089457677 544514923 /nfs/dbraw/zinc/51/49/23/544514923.db2.gz KRLFSCZUXHJKRC-WDEREUQCSA-N 1 0 250.346 0.754 10 0 CCAERO CC[C@H]1CN(C(=O)NCC2(C)COC2)CC[N@@H+]1CCOC ZINC000117496734 544565064 /nfs/dbraw/zinc/56/50/64/544565064.db2.gz HRLBSORNGZONQO-ZDUSSCGKSA-N 1 0 299.415 0.775 10 0 CCAERO O=C(N[C@@H]1CCC[C@@H](O)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111244131 544561084 /nfs/dbraw/zinc/56/10/84/544561084.db2.gz HVGXFBVJPPCNOZ-KKZNHRDASA-N 1 0 280.290 0.948 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000126138354 544594443 /nfs/dbraw/zinc/59/44/43/544594443.db2.gz 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ZINC000235731123 544877528 /nfs/dbraw/zinc/87/75/28/544877528.db2.gz OEIOYJRBQPHSQE-CWSCBRNRSA-N 1 0 253.346 0.228 10 0 CCAERO CC[C@@H]1CN(C(=O)N[C@H]2CCOC2)CC[N@@H+]1C[C@H](C)O ZINC000248448464 544914509 /nfs/dbraw/zinc/91/45/09/544914509.db2.gz DQJMQOBQEFHUIW-RWMBFGLXSA-N 1 0 285.388 0.262 10 0 CCAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000250898331 544924836 /nfs/dbraw/zinc/92/48/36/544924836.db2.gz AHZGKPSAAFJVKN-MGPQQGTHSA-N 1 0 281.400 0.437 10 0 CCAERO C[C@H](CN1CCOCC1)NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000251116121 544925612 /nfs/dbraw/zinc/92/56/12/544925612.db2.gz PZUKFHATROOLNG-FRRDWIJNSA-N 1 0 269.389 0.198 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000251711787 544926777 /nfs/dbraw/zinc/92/67/77/544926777.db2.gz IEFYTBQVKJTAHX-OUAUKWLOSA-N 1 0 255.362 0.472 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000252514511 544929863 /nfs/dbraw/zinc/92/98/63/544929863.db2.gz MXHSXUXDNCFBLR-CYDGBPFRSA-N 1 0 279.384 0.502 10 0 CCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000252446569 544929969 /nfs/dbraw/zinc/92/99/69/544929969.db2.gz WVSCYFCHWQJRIC-BFHYXJOUSA-N 1 0 283.416 0.683 10 0 CCAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCO[C@@H](Cn2cncn2)C1 ZINC000261797593 544936937 /nfs/dbraw/zinc/93/69/37/544936937.db2.gz QRMZOCPKCIOJJL-YNEHKIRRSA-N 1 0 293.371 0.023 10 0 CCAERO CCC(=O)Nc1cccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262054225 544937506 /nfs/dbraw/zinc/93/75/06/544937506.db2.gz AIJKUCLVKGQJAO-YPMHNXCESA-N 1 0 291.351 0.345 10 0 CCAERO Cc1cc(C)cc(OCCC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262075200 544937740 /nfs/dbraw/zinc/93/77/40/544937740.db2.gz BXPIMLYQEZMZIA-ZFWWWQNUSA-N 1 0 292.379 0.769 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@H]1CSc2ccccc21 ZINC000262076907 544938932 /nfs/dbraw/zinc/93/89/32/544938932.db2.gz CEHQQWDYCHJPAO-ZMLRMANQSA-N 1 0 278.377 0.572 10 0 CCAERO CCc1ccccc1OCC(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262098074 544939678 /nfs/dbraw/zinc/93/96/78/544939678.db2.gz DNKLGNLLTAWJHN-QWHCGFSZSA-N 1 0 278.352 0.324 10 0 CCAERO CC(C)(C)n1cc(CNC[C@@H]2C[NH2+]C[C@H]2O)cn1 ZINC000262075762 544939684 /nfs/dbraw/zinc/93/96/84/544939684.db2.gz DGDRXSCHONECGS-VXGBXAGGSA-N 1 0 252.362 0.308 10 0 CCAERO Cc1ccc(OCCC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1C ZINC000262127604 544940426 /nfs/dbraw/zinc/94/04/26/544940426.db2.gz GFGDUNPAIXOWOS-DZGCQCFKSA-N 1 0 292.379 0.769 10 0 CCAERO COc1ccc(O[C@H](C)C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262106971 544940518 /nfs/dbraw/zinc/94/05/18/544940518.db2.gz FCHVOMCEWCOFOA-SUNKGSAMSA-N 1 0 294.351 0.159 10 0 CCAERO Cc1ccc(OCCC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1C ZINC000262127606 544940878 /nfs/dbraw/zinc/94/08/78/544940878.db2.gz GFGDUNPAIXOWOS-HIFRSBDPSA-N 1 0 292.379 0.769 10 0 CCAERO COc1ccc(O[C@H](C)C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262106966 544940895 /nfs/dbraw/zinc/94/08/95/544940895.db2.gz FCHVOMCEWCOFOA-GYSYKLTISA-N 1 0 294.351 0.159 10 0 CCAERO C[C@H](CC1CCCC1)C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262105304 544941007 /nfs/dbraw/zinc/94/10/07/544941007.db2.gz DZXOFOHPSOJDPD-KGYLQXTDSA-N 1 0 254.374 0.899 10 0 CCAERO COCc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262142348 544941525 /nfs/dbraw/zinc/94/15/25/544941525.db2.gz HGBMTNFHKQDPGS-STQMWFEESA-N 1 0 264.325 0.143 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc(F)c(F)c1F ZINC000262144355 544941553 /nfs/dbraw/zinc/94/15/53/544941553.db2.gz HJDKGNYYHJAXOU-IMTBSYHQSA-N 1 0 274.242 0.414 10 0 CCAERO C[C@H](Oc1ccc(F)cc1)C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262148543 544941841 /nfs/dbraw/zinc/94/18/41/544941841.db2.gz HPVAPQWOLNEVQP-KWBADKCTSA-N 1 0 282.315 0.290 10 0 CCAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1ccccc1OC(F)F ZINC000262153494 544942337 /nfs/dbraw/zinc/94/23/37/544942337.db2.gz RPCJABJRNZEKNC-QWRGUYRKSA-N 1 0 272.295 0.958 10 0 CCAERO Cc1csc(CNC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000333814968 545043333 /nfs/dbraw/zinc/04/33/33/545043333.db2.gz QEKMIGAOUGQKBX-QWRGUYRKSA-N 1 0 269.370 0.531 10 0 CCAERO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2CCO[C@@H]2C)[N@H+](C)C1 ZINC000332782174 545033089 /nfs/dbraw/zinc/03/30/89/545033089.db2.gz IREACUZQHXFPSY-VOAKCMCISA-N 1 0 285.388 0.524 10 0 CCAERO CN(C(=O)Nc1cccc2c1OCCO2)[C@H]1C[NH2+]C[C@@H]1O ZINC000333193238 545038782 /nfs/dbraw/zinc/03/87/82/545038782.db2.gz VPFNMNFDLPAFID-QWRGUYRKSA-N 1 0 293.323 0.254 10 0 CCAERO C[C@H]1C[C@H]1NC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000333335950 545039224 /nfs/dbraw/zinc/03/92/24/545039224.db2.gz OYQRVYLXMGHSGI-GXSJLCMTSA-N 1 0 276.344 0.416 10 0 CCAERO Cn1ncc2c1nc(N[C@@H]1CCC[C@@H]([NH3+])C1)nc2N ZINC000333544087 545040160 /nfs/dbraw/zinc/04/01/60/545040160.db2.gz OHDQINSCFOLRQI-HTQZYQBOSA-N 1 0 261.333 0.049 10 0 CCAERO CC(C)n1[nH]cnc1=NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000333597671 545040627 /nfs/dbraw/zinc/04/06/27/545040627.db2.gz PGTZPGQMQFRYRV-NEPJUHHUSA-N 1 0 292.387 0.981 10 0 CCAERO C[C@@H]1OCC[C@H]1NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000333599552 545040660 /nfs/dbraw/zinc/04/06/60/545040660.db2.gz QEUUHQCKSCQUSQ-HBNTYKKESA-N 1 0 279.344 0.110 10 0 CCAERO C[C@@]12C[N@H+](CC(=O)N3CCNC3=O)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333669350 545041589 /nfs/dbraw/zinc/04/15/89/545041589.db2.gz INZRNBLNUMSSSU-YXMPFFBPSA-N 1 0 277.368 0.906 10 0 CCAERO Cc1cnn(CCNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])c1 ZINC000399715736 269768082 /nfs/dbraw/zinc/76/80/82/269768082.db2.gz GOWBHOVEGFRGNY-RYUDHWBXSA-N 1 0 252.362 0.927 10 0 CCAERO COc1c(C[NH2+]C[C@@H](O)C2CCC2)c(C)nn1C ZINC000315859143 262377390 /nfs/dbraw/zinc/37/73/90/262377390.db2.gz GQGWIBUMGJUNRZ-GFCCVEGCSA-N 1 0 253.346 0.988 10 0 CCAERO CCCCOC[C@H](O)C[N@H+](C)CC1(O)CCOCC1 ZINC000311406454 276238055 /nfs/dbraw/zinc/23/80/55/276238055.db2.gz WXNARLVCKSQFLS-CYBMUJFWSA-N 1 0 275.389 0.637 10 0 CCAERO COC(=O)[C@@H]1CCCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000082807202 277347067 /nfs/dbraw/zinc/34/70/67/277347067.db2.gz GFOZOEWAGWVLTC-SECBINFHSA-N 1 0 292.339 0.081 10 0 CCAERO COC(=O)[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000261837244 277384768 /nfs/dbraw/zinc/38/47/68/277384768.db2.gz UOZMUNJTNRXWGK-GMTAPVOTSA-N 1 0 254.330 0.429 10 0 CCAERO CC(C)C[C@H]1OCCC[C@@H]1NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333639100 277506969 /nfs/dbraw/zinc/50/69/69/277506969.db2.gz UFDDOSDOKFWGNJ-XDQVBPFNSA-N 1 0 299.415 0.554 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000333886677 278048625 /nfs/dbraw/zinc/04/86/25/278048625.db2.gz XJCDXGLWFGCJJI-PJSNJIKXSA-N 1 0 267.373 0.539 10 0 CCAERO C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)NC1C[NH2+]C1 ZINC000335380756 278075926 /nfs/dbraw/zinc/07/59/26/278075926.db2.gz XLPLNNGKRNQKLT-SVRRBLITSA-N 1 0 251.252 0.941 10 0 CCAERO CC1(C)CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)C1 ZINC000335192525 278251112 /nfs/dbraw/zinc/25/11/12/278251112.db2.gz JQGSNTLWVPBWBF-NSHDSACASA-N 1 0 281.400 0.831 10 0 CCAERO C[C@@H](CNC(=O)[C@H]1CCCCC(=O)N1)C[NH+]1CCCC1 ZINC000193857223 278280673 /nfs/dbraw/zinc/28/06/73/278280673.db2.gz BUUPUPFXDDOAQB-QWHCGFSZSA-N 1 0 281.400 0.893 10 0 CCAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC2CC2)C[C@H]1C ZINC000185295417 278397743 /nfs/dbraw/zinc/39/77/43/278397743.db2.gz JMAZOCAEUZYMJK-GHMZBOCLSA-N 1 0 255.362 0.493 10 0 CCAERO CC1(C)[C@@H]([NH2+][C@H]2CCc3ncnn3C2)[C@@H]2CCO[C@@H]21 ZINC000333276135 278427339 /nfs/dbraw/zinc/42/73/39/278427339.db2.gz IPRPDWFPFZIKGC-UKJIMTQDSA-N 1 0 262.357 0.996 10 0 CCAERO C[C@@H]1CCCCN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000335044576 278453150 /nfs/dbraw/zinc/45/31/50/278453150.db2.gz VCQBJPCTROGXBW-CZUORRHYSA-N 1 0 293.411 0.990 10 0 CCAERO CC(C)(C)[C@H]1CCN(C(=O)NC2C[NH2+]C2)C[C@H]1O ZINC000335377901 278546448 /nfs/dbraw/zinc/54/64/48/278546448.db2.gz KWQQDPCFIVZCGR-WDEREUQCSA-N 1 0 255.362 0.397 10 0 CCAERO Cc1cc(N(C)C)nc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC000333376470 278704594 /nfs/dbraw/zinc/70/45/94/278704594.db2.gz VSUPBLVMROBERI-MNOVXSKESA-N 1 0 290.371 0.677 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CCNC[C@](C)(F)C1 ZINC000333481122 279035175 /nfs/dbraw/zinc/03/51/75/279035175.db2.gz CCFLEOLBASJLEY-LOWVWBTDSA-N 1 0 272.368 0.470 10 0 CCAERO C[C@@H]1OCC[C@@]1(C)NC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333865209 279046441 /nfs/dbraw/zinc/04/64/41/279046441.db2.gz SUGPSIOPDXXSRM-GMXVVIOVSA-N 1 0 255.362 0.995 10 0 CCAERO Cc1noc(NC(=O)N2CC[C@H](C)C[C@H]2C[NH3+])n1 ZINC000333224138 279064900 /nfs/dbraw/zinc/06/49/00/279064900.db2.gz XDCTZLMMNIHOQJ-CBAPKCEASA-N 1 0 253.306 0.391 10 0 CCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCNC(=O)[C@H]1C ZINC000106534928 279124647 /nfs/dbraw/zinc/12/46/47/279124647.db2.gz YFOWFUOPVTWSIE-VXGBXAGGSA-N 1 0 284.404 0.493 10 0 CCAERO CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](O)C2(CC2)C1 ZINC000336566496 279266352 /nfs/dbraw/zinc/26/63/52/279266352.db2.gz QBBAUFDYLJAGMR-VXGBXAGGSA-N 1 0 252.358 0.844 10 0 CCAERO CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000172764085 279277170 /nfs/dbraw/zinc/27/71/70/279277170.db2.gz WYRRLMSKBIPCAC-GJZGRUSLSA-N 1 0 295.427 0.794 10 0 CCAERO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCO[C@H]2C)CC1 ZINC000335937369 279286312 /nfs/dbraw/zinc/28/63/12/279286312.db2.gz MVEVYXROVPJQFT-NWDGAFQWSA-N 1 0 255.362 0.901 10 0 CCAERO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCO[C@@H]2C)CC1 ZINC000130701560 279287519 /nfs/dbraw/zinc/28/75/19/279287519.db2.gz MVEVYXROVPJQFT-NEPJUHHUSA-N 1 0 255.362 0.901 10 0 CCAERO CC[NH+]1CCN([C@@H]2CCN(C(=O)NC3CC3)C2)CC1 ZINC000171683144 279366961 /nfs/dbraw/zinc/36/69/61/279366961.db2.gz XAATVUVXZGVEQP-CYBMUJFWSA-N 1 0 266.389 0.570 10 0 CCAERO CC(C)N(C)S(=O)(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261559275 279390637 /nfs/dbraw/zinc/39/06/37/279390637.db2.gz TUCAPUWFZZLSQQ-JTQLQIEISA-N 1 0 263.407 0.631 10 0 CCAERO C[C@H]1OCCN(CC[C@H]2CCC[N@@H+]2C)[C@@H]1C(N)=O ZINC000408048124 280055395 /nfs/dbraw/zinc/05/53/95/280055395.db2.gz VNBGZWOKSNGWSX-UTUOFQBUSA-N 1 0 255.362 0.045 10 0 CCAERO O=C([C@@H]1CCCN1C1CC[NH2+]CC1)N(CCO)C1CC1 ZINC000038043234 280086454 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10 0 CCAERO CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2NS(=O)(=O)C2CC2)C1 ZINC000886080262 617101778 /nfs/dbraw/zinc/10/17/78/617101778.db2.gz ROYOOHYSIJTVSV-UHTWSYAYSA-N 1 0 288.413 0.710 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1(O)CCOCC1 ZINC000330003895 625482694 /nfs/dbraw/zinc/48/26/94/625482694.db2.gz CDGUHKOWNFXBEF-NWDGAFQWSA-N 1 0 268.357 0.223 10 0 CCAERO CCc1cnc(N)nc1N1CCN(C)C2(CC[NH2+]CC2)C1 ZINC000095384407 623262051 /nfs/dbraw/zinc/26/20/51/623262051.db2.gz BHQPHOWXPWPDPY-UHFFFAOYSA-N 1 0 290.415 0.495 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cn1cnc(C(=O)OC)n1 ZINC000177164299 623362276 /nfs/dbraw/zinc/36/22/76/623362276.db2.gz HQUWPJRHVDVANT-LLVKDONJSA-N 1 0 281.360 0.438 10 0 CCAERO Cn1nccc1-c1ccnc(N2CCC[C@@H]([NH3+])C2)n1 ZINC000236094667 623465632 /nfs/dbraw/zinc/46/56/32/623465632.db2.gz QLIYQVTUGRUIPE-SNVBAGLBSA-N 1 0 258.329 0.805 10 0 CCAERO CCC[C@@H]([NH3+])C(=O)NC[C@H](O)c1ccccc1OC ZINC000178029704 623498546 /nfs/dbraw/zinc/49/85/46/623498546.db2.gz FRHFYGAYEPOPBC-NEPJUHHUSA-N 1 0 266.341 0.972 10 0 CCAERO O=C(C[C@H]1CCC[NH2+]C1)NC[C@H](O)C(F)(F)F ZINC000236530584 623524546 /nfs/dbraw/zinc/52/45/46/623524546.db2.gz VYGLGAZXWYXLGM-SFYZADRCSA-N 1 0 254.252 0.416 10 0 CCAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000166503279 623711641 /nfs/dbraw/zinc/71/16/41/623711641.db2.gz WEMBLGFEPWTTDF-GHMZBOCLSA-N 1 0 263.293 0.934 10 0 CCAERO COCCN(C)C[C@@H](O)C[N@@H+]1CCC[C@@H](C(C)=O)C1 ZINC000311418992 623733514 /nfs/dbraw/zinc/73/35/14/623733514.db2.gz ABRHMIBFTDKXID-ZIAGYGMSSA-N 1 0 272.389 0.227 10 0 CCAERO [NH3+]CC[C@@H]1CCN(c2nnnn2-c2ccccc2)C1 ZINC000125446774 625861142 /nfs/dbraw/zinc/86/11/42/625861142.db2.gz HVTDXVQWLNETSO-LLVKDONJSA-N 1 0 258.329 0.837 10 0 CCAERO O=C1CC2(C[NH2+]C2)N(CCOc2ccccc2F)CCN1 ZINC000903771483 634645940 /nfs/dbraw/zinc/64/59/40/634645940.db2.gz VLOQQVGSXBBRAT-UHFFFAOYSA-N 1 0 293.342 0.368 10 0 CCAERO [NH3+]C1CCC(C(=O)NC[C@@H](O)C(F)(F)F)CC1 ZINC000225390489 631326115 /nfs/dbraw/zinc/32/61/15/631326115.db2.gz PFLCSAYPUFDIKG-KAVNDROISA-N 1 0 254.252 0.543 10 0 CCAERO COC(=O)N[C@@H](C(=O)N1CCC([C@@H](C)[NH3+])CC1)C(C)C ZINC000178806799 631563337 /nfs/dbraw/zinc/56/33/37/631563337.db2.gz NSFKVQFYKAHROQ-ZYHUDNBSSA-N 1 0 285.388 0.953 10 0 CCAERO Cc1cc(NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n[nH]1 ZINC000895752727 632144962 /nfs/dbraw/zinc/14/49/62/632144962.db2.gz KVBNDUXRLBIGRQ-ZJUUUORDSA-N 1 0 250.302 0.520 10 0 CCAERO O=C([C@@H]1CCc2n[nH]nc2C1)N1CC([NH+]2CCCC2)C1 ZINC000898604631 633627673 /nfs/dbraw/zinc/62/76/73/633627673.db2.gz MCAZBAOXTZBLGC-SNVBAGLBSA-N 1 0 275.356 0.216 10 0 CCAERO C[C@@H]1CN(C)C[C@H](C(=O)NCC(C)(C)n2cccn2)O1 ZINC000898926955 633694128 /nfs/dbraw/zinc/69/41/28/633694128.db2.gz ICCQJBCEBBOMDL-VXGBXAGGSA-N 1 0 280.372 0.454 10 0 CCAERO Cc1c(C(=O)NCC[NH+]2CCCC2)nn2c1OCCC2 ZINC000223772221 636906875 /nfs/dbraw/zinc/90/68/75/636906875.db2.gz FZOSISABLSVVRA-UHFFFAOYSA-N 1 0 278.356 0.800 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CN1CCOC1=S ZINC000153224722 637688091 /nfs/dbraw/zinc/68/80/91/637688091.db2.gz SBSWKCCIQOMBRH-WDEREUQCSA-N 1 0 255.387 0.730 10 0 CCAERO C[NH+](C)[C@H]1CCN(CN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000170843241 638208765 /nfs/dbraw/zinc/20/87/65/638208765.db2.gz QRSAZHHXCKGTKB-LBPRGKRZSA-N 1 0 294.399 0.835 10 0 CCAERO CCOCCCNC(=S)N1CC[C@@H]([NH+](C)C)C1 ZINC000134320397 647720160 /nfs/dbraw/zinc/72/01/60/647720160.db2.gz BRDOZBWNBAVAGA-LLVKDONJSA-N 1 0 259.419 0.923 10 0 CCAERO CSC(C)(C)CNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000157026999 649299861 /nfs/dbraw/zinc/29/98/61/649299861.db2.gz OAVXBNXNUABLMG-UHFFFAOYSA-N 1 0 273.446 0.928 10 0 CCAERO COC(=O)NC(C)(C)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000157600969 649302101 /nfs/dbraw/zinc/30/21/01/649302101.db2.gz SOTGEMCLMDEDSS-RKDXNWHRSA-N 1 0 257.334 0.365 10 0 CCAERO COC(=O)N[C@H](CC(C)C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000049095666 649330499 /nfs/dbraw/zinc/33/04/99/649330499.db2.gz WAKXYZIVXJJYDB-VXGBXAGGSA-N 1 0 285.388 0.968 10 0 CCAERO COC(=O)N[C@@H](C(=O)N1CC[NH2+][C@H](C)C1)C(C)C ZINC000188384490 649349810 /nfs/dbraw/zinc/34/98/10/649349810.db2.gz LRMSBQLASMIKRY-NXEZZACHSA-N 1 0 257.334 0.187 10 0 CCAERO C[NH+](C)[C@@H]1CCN(C(=O)NOC[C@H]2CCOC2)C1 ZINC000190439713 649450217 /nfs/dbraw/zinc/45/02/17/649450217.db2.gz ITVYHJXGRJXMPS-WDEREUQCSA-N 1 0 257.334 0.300 10 0 CCAERO CCOC(=O)NCCC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000193604912 649548189 /nfs/dbraw/zinc/54/81/89/649548189.db2.gz JMEGDYKLCRYPIL-UWVGGRQHSA-N 1 0 257.334 0.379 10 0 CCAERO CC(C)NC(=O)CN(C)C(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089390974 649655905 /nfs/dbraw/zinc/65/59/05/649655905.db2.gz MTVLIDSQRXIKIM-NEPJUHHUSA-N 1 0 269.389 0.735 10 0 CCAERO O=C1OCC[C@@H]1CC[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000246960650 649696214 /nfs/dbraw/zinc/69/62/14/649696214.db2.gz OKPPLBSLFCLJGX-NWDGAFQWSA-N 1 0 264.329 0.868 10 0 CCAERO CC1(C)CC(=O)N(CN2CC[N@@H+]3CCC[C@H]3C2)C1=O ZINC000247006080 649698902 /nfs/dbraw/zinc/69/89/02/649698902.db2.gz IRZJMUDRTNLJCI-NSHDSACASA-N 1 0 265.357 0.509 10 0 CCAERO CC(C)([NH3+])Cc1nc([C@@H]2CN3CCC[C@@H]3CO2)no1 ZINC000091686259 649709791 /nfs/dbraw/zinc/70/97/91/649709791.db2.gz LHEGENRUUZIQIJ-ZJUUUORDSA-N 1 0 266.345 0.885 10 0 CCAERO CCCCOC(=O)CN1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000247399366 649710486 /nfs/dbraw/zinc/71/04/86/649710486.db2.gz YGKFJPJPXYMSOQ-OLZOCXBDSA-N 1 0 272.389 0.717 10 0 CCAERO C[NH+](C)[C@@H]1CCN(CN2C(=O)N[C@](C)(C(C)(C)C)C2=O)C1 ZINC000248761143 649737499 /nfs/dbraw/zinc/73/74/99/649737499.db2.gz YEFHWHZIPAOICU-ABAIWWIYSA-N 1 0 296.415 0.936 10 0 CCAERO C[C@H]([NH3+])CCc1nc([C@@H]2CN3CCN2CC3)no1 ZINC000094506146 649743706 /nfs/dbraw/zinc/74/37/06/649743706.db2.gz UYPMRJLFHYVNEX-UWVGGRQHSA-N 1 0 251.334 0.022 10 0 CCAERO [NH3+]Cc1cccc(-c2nc([C@@H]3CN4CCN3CC4)no2)c1 ZINC000094506496 649743852 /nfs/dbraw/zinc/74/38/52/649743852.db2.gz IFSPPWKEZJHMMP-ZDUSSCGKSA-N 1 0 285.351 0.868 10 0 CCAERO CC(C)([NH3+])Cc1nc([C@@H]2CN3CCN2CC3)no1 ZINC000094506500 649743861 /nfs/dbraw/zinc/74/38/61/649743861.db2.gz JDDADQVRKMLPKA-VIFPVBQESA-N 1 0 251.334 0.022 10 0 CCAERO C[C@]1(c2nc([C@@H]3CN4CCN3CC4)no2)CCC[NH2+]1 ZINC000094506528 649743897 /nfs/dbraw/zinc/74/38/97/649743897.db2.gz VCTNCJMZUNBNBH-GXFFZTMASA-N 1 0 263.345 0.341 10 0 CCAERO Cc1cc(C)n(CC2CC[NH+](CC(N)=O)CC2)n1 ZINC000090473928 349437389 /nfs/dbraw/zinc/43/73/89/349437389.db2.gz HTYYEASMZOMTJM-UHFFFAOYSA-N 1 0 250.346 0.697 10 0 CCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2c(C)nn(C)c2C)C1 ZINC000092328769 349490283 /nfs/dbraw/zinc/49/02/83/349490283.db2.gz WYLBQKUUBOPCHT-ZYHUDNBSSA-N 1 0 266.345 0.030 10 0 CCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)Cc1cn2ccccc2n1 ZINC000335504015 212184544 /nfs/dbraw/zinc/18/45/44/212184544.db2.gz FUSXBUQUYRCDLT-PWSUYJOCSA-N 1 0 258.325 0.825 10 0 CCAERO C[C@H]([NH3+])Cc1nc2cc(S(C)(=O)=O)ccc2n1C ZINC000083253284 178370235 /nfs/dbraw/zinc/37/02/35/178370235.db2.gz MUSVOUWDULONKJ-QMMMGPOBSA-N 1 0 267.354 0.867 10 0 CCAERO Cc1cnc(S(=O)(=O)C[C@@H]2CCC[NH2+]2)nc1Cl 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NC(=[NH2+])N1C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2C1 ZINC000100905732 185730015 /nfs/dbraw/zinc/73/00/15/185730015.db2.gz CMOONGZCKAOEJK-AOOOYVTPSA-N 1 0 258.281 0.001 10 0 CCAERO C[C@H](NC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)[C@@H]1CCCO1 ZINC000333740567 299134951 /nfs/dbraw/zinc/13/49/51/299134951.db2.gz IUKVGCKVSUHHGK-CYDGBPFRSA-N 1 0 267.373 0.805 10 0 CCAERO CCNC(=O)N1CCN(C(=O)[C@@]2(CC)CC[NH2+]C2)CC1 ZINC000062894731 136772433 /nfs/dbraw/zinc/77/24/33/136772433.db2.gz VWKLGCGYVCWXIA-AWEZNQCLSA-N 1 0 282.388 0.250 10 0 CCAERO CCCC[C@@H](C[NH3+])Nc1ccc(C(=O)NC)nn1 ZINC000130526820 136834064 /nfs/dbraw/zinc/83/40/64/136834064.db2.gz VHAGJSUVYDWMHI-VIFPVBQESA-N 1 0 251.334 0.766 10 0 CCAERO OC[C@H]1C[C@@H](O)C[N@@H+]1CCCOCC(F)(F)F ZINC000245708546 136973252 /nfs/dbraw/zinc/97/32/52/136973252.db2.gz ORRYJPNCGXNSGX-RKDXNWHRSA-N 1 0 257.252 0.383 10 0 CCAERO CC(C)[NH2+]CCN1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000248788591 136995169 /nfs/dbraw/zinc/99/51/69/136995169.db2.gz 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CCC[C@](C)([NH3+])C(=O)NCC(C)(C)C(=O)NCC ZINC000262590066 137047824 /nfs/dbraw/zinc/04/78/24/137047824.db2.gz ULZFWENTQGSAAK-ZDUSSCGKSA-N 1 0 257.378 0.782 10 0 CCAERO CCC[C@@](C)([NH3+])C(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000262693088 137050708 /nfs/dbraw/zinc/05/07/08/137050708.db2.gz BKTHXFGDZNWONF-GXTWGEPZSA-N 1 0 269.389 0.483 10 0 CCAERO CN1CC[NH2+]C[C@H]1c1noc(-c2cnsn2)n1 ZINC000263119842 137058681 /nfs/dbraw/zinc/05/86/81/137058681.db2.gz AVVZSWCHUFCNDQ-ZETCQYMHSA-N 1 0 252.303 0.164 10 0 CCAERO Cc1nn2c(CNC[C@@H]3C[NH2+]C[C@H]3O)c(C)nc2s1 ZINC000263133356 137058715 /nfs/dbraw/zinc/05/87/15/137058715.db2.gz BVJITDXBEPOBGS-MWLCHTKSSA-N 1 0 281.385 0.078 10 0 CCAERO Cc1cccc2ncc(CNC[C@H]3C[NH2+]C[C@H]3O)n21 ZINC000263129539 137058821 /nfs/dbraw/zinc/05/88/21/137058821.db2.gz BOFFZKFPFKPZNI-WCQYABFASA-N 1 0 260.341 0.313 10 0 CCAERO Cc1cccc2ncc(CNC[C@@H]3C[NH2+]C[C@@H]3O)n21 ZINC000263129543 137058976 /nfs/dbraw/zinc/05/89/76/137058976.db2.gz BOFFZKFPFKPZNI-YPMHNXCESA-N 1 0 260.341 0.313 10 0 CCAERO C[C@H](C1CC1)n1[nH]cc/c1=N\C(=O)CN1CC[NH2+]C[C@H]1C ZINC000261731094 137017160 /nfs/dbraw/zinc/01/71/60/137017160.db2.gz HECVPUXSFAMBJG-CGXJIKNUSA-N 1 0 291.399 0.508 10 0 CCAERO C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1=O ZINC000261791066 137020276 /nfs/dbraw/zinc/02/02/76/137020276.db2.gz QCIJWRDPPZHTNG-UJPOAAIJSA-N 1 0 279.384 0.487 10 0 CCAERO COc1cc(CNC[C@@H]2C[NH2+]C[C@H]2O)cc(OC)c1OC ZINC000263161207 137059116 /nfs/dbraw/zinc/05/91/16/137059116.db2.gz DUEIAKJNBJCLJQ-VXGBXAGGSA-N 1 0 296.367 0.382 10 0 CCAERO CC1(C)CN(S(=O)(=O)C[C@@H]2CCCCO2)CC[C@@H]1[NH3+] ZINC000261824897 137021762 /nfs/dbraw/zinc/02/17/62/137021762.db2.gz PQYAVBQMZDMUCU-RYUDHWBXSA-N 1 0 290.429 0.945 10 0 CCAERO C[C@@H](CO[C@@H]1CCOC1)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261819515 137021769 /nfs/dbraw/zinc/02/17/69/137021769.db2.gz SMIVEXXEITXSJS-UMSGYPCISA-N 1 0 270.373 0.672 10 0 CCAERO COc1ccccc1[C@@H](O)CNC(=O)C1([NH3+])CCOCC1 ZINC000261873245 137023349 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O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1coc2ccccc12 ZINC000262235542 137032431 /nfs/dbraw/zinc/03/24/31/137032431.db2.gz KNPKRSHKZOVSKZ-JOYOIKCWSA-N 1 0 260.293 0.743 10 0 CCAERO COCc1ccccc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262238416 137032482 /nfs/dbraw/zinc/03/24/82/137032482.db2.gz KSASJQNXVZMWQP-WCQYABFASA-N 1 0 264.325 0.143 10 0 CCAERO CCc1nc(CCNC(=O)[C@@H]([NH3+])COC)sc1C ZINC000262247439 137032750 /nfs/dbraw/zinc/03/27/50/137032750.db2.gz IHUHFXXFFSPKNS-VIFPVBQESA-N 1 0 271.386 0.646 10 0 CCAERO CCc1nc(CCNC(=O)[C@H]([NH3+])COC)sc1C ZINC000262247438 137032941 /nfs/dbraw/zinc/03/29/41/137032941.db2.gz IHUHFXXFFSPKNS-SECBINFHSA-N 1 0 271.386 0.646 10 0 CCAERO CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)C2C[NH2+]C2)C1 ZINC000262262726 137033874 /nfs/dbraw/zinc/03/38/74/137033874.db2.gz RKCSYDZSVHTHRY-VXGBXAGGSA-N 1 0 281.400 0.749 10 0 CCAERO COC[C@H]([NH3+])C(=O)NC[C@H](O)c1cccc(Cl)c1 ZINC000262282604 137034537 /nfs/dbraw/zinc/03/45/37/137034537.db2.gz LZBNXXMBRWVFAR-QWRGUYRKSA-N 1 0 272.732 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Nc1ccc([C@@H](O)C[NH2+][C@@H]2CN3CCC2CC3)cc1 ZINC000039250112 348229025 /nfs/dbraw/zinc/22/90/25/348229025.db2.gz NJFHXVOEWLZHOH-CABCVRRESA-N 1 0 261.369 0.986 10 0 CCAERO CC(=O)N[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000043589276 348311536 /nfs/dbraw/zinc/31/15/36/348311536.db2.gz HWCCMGCKZKFBTR-UONOGXRCSA-N 1 0 281.400 0.893 10 0 CCAERO CC(C)(C)OC[C@H](O)C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000052216034 348507012 /nfs/dbraw/zinc/50/70/12/348507012.db2.gz VBAYDGROMZXKMN-CYBMUJFWSA-N 1 0 299.415 0.652 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)NCC(=O)NC2CC2)C1 ZINC000052502331 348510219 /nfs/dbraw/zinc/51/02/19/348510219.db2.gz ZTUAKIJPGJDMDM-NSHDSACASA-N 1 0 268.361 0.049 10 0 CCAERO C[C@H](C[NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC000054340642 348552795 /nfs/dbraw/zinc/55/27/95/348552795.db2.gz BFZMNRCJSYQBKS-SKDRFNHKSA-N 1 0 261.325 0.020 10 0 CCAERO CCCCCCOC[C@@H](O)C[NH2+]CCOCCO ZINC000054615156 348560811 /nfs/dbraw/zinc/56/08/11/348560811.db2.gz MFFYXPWTWPEEBO-ZDUSSCGKSA-N 1 0 263.378 0.543 10 0 CCAERO Cc1cc(NC(=O)CN2CCC[N@@H+](C3CC3)CC2)n(C)n1 ZINC000061041020 348650801 /nfs/dbraw/zinc/65/08/01/348650801.db2.gz ATCVWNZNIDPEIJ-UHFFFAOYSA-N 1 0 291.399 0.837 10 0 CCAERO CCn1ccnc(N2CCC(CC[NH3+])CC2)c1=O ZINC000061776920 348659054 /nfs/dbraw/zinc/65/90/54/348659054.db2.gz XRSOILKLXUNLKE-UHFFFAOYSA-N 1 0 250.346 0.828 10 0 CCAERO NC(=O)CSCC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000058907856 348634597 /nfs/dbraw/zinc/63/45/97/348634597.db2.gz KBUOMNCOUBHELF-UHFFFAOYSA-N 1 0 285.413 0.292 10 0 CCAERO C[C@@H]1CCN(CN2C(=O)c3ccccc3C2=O)C[C@@H]1[NH3+] ZINC000070984077 348901753 /nfs/dbraw/zinc/90/17/53/348901753.db2.gz UAUVUDHOXARWBR-MFKMUULPSA-N 1 0 273.336 0.909 10 0 CCAERO O=C(CNCC(F)(F)F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000078596068 349144215 /nfs/dbraw/zinc/14/42/15/349144215.db2.gz WHBYSZGCODKVLK-SNVBAGLBSA-N 1 0 279.306 0.835 10 0 CCAERO C[C@]1(C(=O)N2CCN(c3cnccn3)CC2)CCC[NH2+]1 ZINC000079517873 349181566 /nfs/dbraw/zinc/18/15/66/349181566.db2.gz BAWJTYLQSDHRBH-CQSZACIVSA-N 1 0 275.356 0.267 10 0 CCAERO O=c1[nH]c(NC[C@@H]2CCCO2)nc2c1CC[NH2+]C2 ZINC000082161614 349292245 /nfs/dbraw/zinc/29/22/45/349292245.db2.gz PXZHSXDDAUULFD-QMMMGPOBSA-N 1 0 250.302 0.007 10 0 CCAERO CCCN(C(=O)c1c[nH]c(=O)cn1)[C@H]1CCC[NH2+]C1 ZINC000104337447 185974455 /nfs/dbraw/zinc/97/44/55/185974455.db2.gz TWESIMISIBPAGT-JTQLQIEISA-N 1 0 264.329 0.374 10 0 CCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1CN(C)CCO1 ZINC000081292772 349255409 /nfs/dbraw/zinc/25/54/09/349255409.db2.gz XIUNOWWSWINOGJ-CHWSQXEVSA-N 1 0 271.405 0.410 10 0 CCAERO CCC[N@H+](C)C[C@H]1CCN(C(=O)C2=NNC(=O)CC2)C1 ZINC000081362948 349259284 /nfs/dbraw/zinc/25/92/84/349259284.db2.gz LQFOSCHJMPBFKG-LLVKDONJSA-N 1 0 280.372 0.443 10 0 CCAERO O=C([C@@H]1COCCN1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000088371163 349362558 /nfs/dbraw/zinc/36/25/58/349362558.db2.gz XSZMQLYERXDHNI-AWEZNQCLSA-N 1 0 281.400 0.309 10 0 CCAERO C[C@@H]1COC[C@@H](C)[NH+]1CCC(=O)N1CCOCC1 ZINC000120963519 350014889 /nfs/dbraw/zinc/01/48/89/350014889.db2.gz 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/nfs/dbraw/zinc/03/09/85/186030985.db2.gz RGAWUDDQBOMFSV-ZDUSSCGKSA-N 1 0 299.415 0.520 10 0 CCAERO COc1cc(OC)c(OC)cc1CNC(=O)C1C[NH2+]C1 ZINC000091415181 180149508 /nfs/dbraw/zinc/14/95/08/180149508.db2.gz MSNZTIZUCLWCDH-UHFFFAOYSA-N 1 0 280.324 0.548 10 0 CCAERO COC(=O)C1CCN(C(=O)C(C)(C)N2CC[NH2+]CC2)CC1 ZINC000129593184 350218075 /nfs/dbraw/zinc/21/80/75/350218075.db2.gz DABGUIIJUZMSKF-UHFFFAOYSA-N 1 0 297.399 0.082 10 0 CCAERO Cc1ccc(CNC(=O)C(C)(C)N2CC[NH2+]CC2)cn1 ZINC000129737468 350221378 /nfs/dbraw/zinc/22/13/78/350221378.db2.gz YMPQUOPPJZULAA-UHFFFAOYSA-N 1 0 276.384 0.690 10 0 CCAERO C[C@H](CNC(=O)N1CCC[C@H]([NH+](C)C)C1)N1CCOCC1 ZINC000105124307 186042834 /nfs/dbraw/zinc/04/28/34/186042834.db2.gz NEQXRXQNGCBVNW-KGLIPLIRSA-N 1 0 298.431 0.443 10 0 CCAERO C[C@@H](CNC(=O)N1CCNC(=O)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000105127147 186044197 /nfs/dbraw/zinc/04/41/97/186044197.db2.gz MMPWZZWAVMCUES-STQMWFEESA-N 1 0 296.415 0.638 10 0 CCAERO CNC(=O)[C@H]1CCC[N@@H+]1C[C@H](O)COC(C)(C)C 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C[NH+](C)C[C@H]1CN(C(=O)Cc2ccc(O)cc2)CCO1 ZINC000133833150 350346651 /nfs/dbraw/zinc/34/66/51/350346651.db2.gz IOPARZAXICEOSR-AWEZNQCLSA-N 1 0 278.352 0.724 10 0 CCAERO CCNC(=O)CC[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000135510979 350399203 /nfs/dbraw/zinc/39/92/03/350399203.db2.gz WCZSKVWTXQIZRX-WDEREUQCSA-N 1 0 258.387 0.719 10 0 CCAERO CN(C)C(=O)CN(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863063 186080635 /nfs/dbraw/zinc/08/06/35/186080635.db2.gz UEIQXBAJCRHUTK-UHFFFAOYSA-N 1 0 293.415 0.368 10 0 CCAERO CC[C@H]1CN(Cc2nnnn2C(C)C)CC[N@@H+]1CCOC ZINC000105837344 186076820 /nfs/dbraw/zinc/07/68/20/186076820.db2.gz FYBHQAWSEAVHIR-ZDUSSCGKSA-N 1 0 296.419 0.797 10 0 CCAERO CC(C)OC[C@H](O)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105903798 186088253 /nfs/dbraw/zinc/08/82/53/186088253.db2.gz XWJHHEJEAIJTKE-UONOGXRCSA-N 1 0 282.388 0.776 10 0 CCAERO COC(=O)CC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105919491 186089549 /nfs/dbraw/zinc/08/95/49/186089549.db2.gz XPVKUXYITLODKI-NSHDSACASA-N 1 0 252.318 0.553 10 0 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/nfs/dbraw/zinc/72/50/31/134725031.db2.gz CLLUAQVFWJHTLS-UHFFFAOYSA-N 1 0 259.309 0.971 10 0 CCAERO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCNC1=O ZINC000658056692 413097284 /nfs/dbraw/zinc/09/72/84/413097284.db2.gz YOUNSLZYUWHMRW-YUELXQCFSA-N 1 0 273.380 0.985 10 0 CCAERO COC(=O)[C@@H](NC(=O)[C@@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000164488858 143927719 /nfs/dbraw/zinc/92/77/19/143927719.db2.gz TWYJNXYGFGRRAR-GWCFXTLKSA-N 1 0 276.336 0.872 10 0 CCAERO COC(=O)[C@H](NC(=O)[C@@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000164489116 143927849 /nfs/dbraw/zinc/92/78/49/143927849.db2.gz TWYJNXYGFGRRAR-GXFFZTMASA-N 1 0 276.336 0.872 10 0 CCAERO CC1(O)CC(S(=O)(=O)c2ccc(C[NH3+])cc2)C1 ZINC000222432854 397436041 /nfs/dbraw/zinc/43/60/41/397436041.db2.gz ZHBQBEASIMXGGD-UHFFFAOYSA-N 1 0 255.339 0.832 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cccc2cnccc21 ZINC000262064012 143934661 /nfs/dbraw/zinc/93/46/61/143934661.db2.gz BCPJPIWZRHFGMK-FZMZJTMJSA-N 1 0 271.320 0.545 10 0 CCAERO Cc1cc(F)cc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262074053 143935137 /nfs/dbraw/zinc/93/51/37/143935137.db2.gz BVYDYCJCQODPIN-JQWIXIFHSA-N 1 0 252.289 0.444 10 0 CCAERO Cc1ccccc1SCC(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262111357 143938555 /nfs/dbraw/zinc/93/85/55/143938555.db2.gz FKQJNTGUGHRDFL-NWDGAFQWSA-N 1 0 280.393 0.784 10 0 CCAERO C[C@@H]1CSCCN1C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131299326 397414040 /nfs/dbraw/zinc/41/40/40/397414040.db2.gz NJRXYDTZEKTJBG-LLVKDONJSA-N 1 0 271.430 0.634 10 0 CCAERO Cc1nnsc1CNC[C@@H](O)C[NH+]1CCCCC1 ZINC000384223556 397495530 /nfs/dbraw/zinc/49/55/30/397495530.db2.gz FNLZKXWAXNFPNK-LLVKDONJSA-N 1 0 270.402 0.783 10 0 CCAERO C[C@@H](COCc1ccccc1)NC(=O)CN1CC[NH2+]CC1 ZINC000390762568 397512330 /nfs/dbraw/zinc/51/23/30/397512330.db2.gz BWZCESHSYZLSLF-AWEZNQCLSA-N 1 0 291.395 0.613 10 0 CCAERO CCN1C[C@@H](NC(=O)CC[C@H]2CCC[NH2+]2)CC1=O ZINC000391610266 397512558 /nfs/dbraw/zinc/51/25/58/397512558.db2.gz UQTJEAVBGHNLJZ-MNOVXSKESA-N 1 0 253.346 0.256 10 0 CCAERO O=C(c1ccn([C@@H]2CCCCO2)n1)N1CC[NH2+]CC1 ZINC000575601660 397581357 /nfs/dbraw/zinc/58/13/57/397581357.db2.gz AZVGSEKJQVDODE-LBPRGKRZSA-N 1 0 264.329 0.628 10 0 CCAERO CN1CCN(C(=O)c2ccc([C@H]3CCC[NH2+]C3)nc2)CC1 ZINC000616575370 397598632 /nfs/dbraw/zinc/59/86/32/397598632.db2.gz JUVDKYYVCLHCJM-ZDUSSCGKSA-N 1 0 288.395 0.936 10 0 CCAERO CCOCCN1CCN(C(=O)[C@]2(F)CC[NH2+]C2)C[C@H]1C ZINC000168052705 286088175 /nfs/dbraw/zinc/08/81/75/286088175.db2.gz FVIVUPSWADPURS-OCCSQVGLSA-N 1 0 287.379 0.257 10 0 CCAERO C[C@@H]1CC(=O)NCCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000364014712 287200006 /nfs/dbraw/zinc/20/00/06/287200006.db2.gz PCLDTAUKIRBMNY-SNVBAGLBSA-N 1 0 261.325 0.496 10 0 CCAERO Brc1cnc(NC[C@@H]2COCC[NH2+]2)nc1 ZINC000116625971 411703442 /nfs/dbraw/zinc/70/34/42/411703442.db2.gz HHDVZOWRLLNGMM-MRVPVSSYSA-N 1 0 273.134 0.639 10 0 CCAERO C[C@@H]1CCC[C@@H](NC(=O)Cn2cc(C[NH3+])nn2)[C@@H]1C ZINC000050224900 411676175 /nfs/dbraw/zinc/67/61/75/411676175.db2.gz BUKCTLUQOIRHHR-CKYFFXLPSA-N 1 0 265.361 0.678 10 0 CCAERO CC(C)[NH2+]CCC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000062976865 411687328 /nfs/dbraw/zinc/68/73/28/411687328.db2.gz DQUKUFSBNGVYBB-ZDUSSCGKSA-N 1 0 269.389 0.308 10 0 CCAERO [NH3+]CC1(C(=O)N2CC[C@@H](N3CCOCC3)C2)CCCC1 ZINC000062976528 411687768 /nfs/dbraw/zinc/68/77/68/411687768.db2.gz GJKQEWISALEMPA-CYBMUJFWSA-N 1 0 281.400 0.439 10 0 CCAERO O=C(Nc1ccccc1-n1cncn1)[C@H]1CC[NH2+]C1 ZINC000062113718 411688578 /nfs/dbraw/zinc/68/85/78/411688578.db2.gz WQLNIHJPSNYSKK-JTQLQIEISA-N 1 0 257.297 0.815 10 0 CCAERO COC[C@H](C)OC[C@H](O)C[NH2+]C[C@H]1CCC[C@H]1O ZINC000300256380 411742552 /nfs/dbraw/zinc/74/25/52/411742552.db2.gz CYBJJELNOVBQOO-UMSGYPCISA-N 1 0 261.362 0.149 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000311042622 411747716 /nfs/dbraw/zinc/74/77/16/411747716.db2.gz ZSEYTYVKKAHSTP-PSASIEDQSA-N 1 0 268.279 0.886 10 0 CCAERO CC[C@H]1CN(C(=O)C2([NH3+])CCOCC2)[C@H](C)CO1 ZINC000403949238 411789679 /nfs/dbraw/zinc/78/96/79/411789679.db2.gz LAAWYEJIWWFQEB-MNOVXSKESA-N 1 0 256.346 0.520 10 0 CCAERO [NH3+]C1CCC(C(=O)NCCN2CCCC2=O)CC1 ZINC000405429702 411801191 /nfs/dbraw/zinc/80/11/91/411801191.db2.gz JENXNRKSXDTPMA-UHFFFAOYSA-N 1 0 253.346 0.243 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCCN1CCCC1=O ZINC000405353860 411801273 /nfs/dbraw/zinc/80/12/73/411801273.db2.gz AYLFEBKCQZJSNM-QWRGUYRKSA-N 1 0 253.346 0.100 10 0 CCAERO CCO[C@@H]1CN(c2ncnc3nc[nH]c32)C[C@H]1C[NH3+] ZINC000405609108 411803806 /nfs/dbraw/zinc/80/38/06/411803806.db2.gz RVFJTNYWIOIHPU-RKDXNWHRSA-N 1 0 262.317 0.153 10 0 CCAERO NC(=O)c1ccc(C[NH2+][C@H]2CN3CCC2CC3)cc1 ZINC000020070920 170982323 /nfs/dbraw/zinc/98/23/23/170982323.db2.gz OGGJCPRBLTYXDR-AWEZNQCLSA-N 1 0 259.353 0.969 10 0 CCAERO CCN(CC[NH3+])c1ccc(NS(C)(=O)=O)cc1 ZINC000020224805 171087157 /nfs/dbraw/zinc/08/71/57/171087157.db2.gz KCOHGIWDCMBQDH-UHFFFAOYSA-N 1 0 257.359 0.843 10 0 CCAERO COc1cccc([C@@H](C[NH3+])N2CCN(CCO)CC2)c1 ZINC000020225796 171090011 /nfs/dbraw/zinc/09/00/11/171090011.db2.gz QZIUSKVKCDQZHK-OAHLLOKOSA-N 1 0 279.384 0.305 10 0 CCAERO C[C@H]([NH3+])c1cccc(NS(=O)(=O)N2CCOCC2)c1 ZINC000020255530 171109516 /nfs/dbraw/zinc/10/95/16/171109516.db2.gz YERMNNSZCSBHSW-JTQLQIEISA-N 1 0 285.369 0.695 10 0 CCAERO C[C@H]([NH2+][C@H]1CN2CCC1CC2)C(=O)NC(C)(C)C ZINC000020358425 171157451 /nfs/dbraw/zinc/15/74/51/171157451.db2.gz XJTKQPKKOAXTNT-JQWIXIFHSA-N 1 0 253.390 0.973 10 0 CCAERO C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)N1CC[NH2+]CC1 ZINC000020362674 171161547 /nfs/dbraw/zinc/16/15/47/171161547.db2.gz ZVJRKMOKOCGODT-YNEHKIRRSA-N 1 0 253.390 0.975 10 0 CCAERO O=C(Nc1ccc(F)c(F)c1F)[C@H]1C[C@H](O)C[NH2+]1 ZINC000020434048 171198842 /nfs/dbraw/zinc/19/88/42/171198842.db2.gz HBRBQQRKLJLNEK-YLWLKBPMSA-N 1 0 260.215 0.765 10 0 CCAERO COc1ccc2nc(NC(=O)[C@@H]3C[C@H](O)C[NH2+]3)sc2c1 ZINC000020434194 171200066 /nfs/dbraw/zinc/20/00/66/171200066.db2.gz VGWADGGAUYKWFS-XVKPBYJWSA-N 1 0 293.348 0.966 10 0 CCAERO COc1ccc(C[NH3+])cc1OCC(=O)NC1CC1 ZINC000020470956 171213690 /nfs/dbraw/zinc/21/36/90/171213690.db2.gz KSMNWVQWUATROE-UHFFFAOYSA-N 1 0 250.298 0.811 10 0 CCAERO CC[C@@H](CO)[NH2+]Cc1cccc(OC)c1OCC(N)=O ZINC000020872514 171277122 /nfs/dbraw/zinc/27/71/22/171277122.db2.gz ZMVJBDMUPXGTOF-NSHDSACASA-N 1 0 282.340 0.420 10 0 CCAERO C[C@@H]1CN(CC(=O)Nc2ccccc2C[NH3+])CCO1 ZINC000022155339 171361608 /nfs/dbraw/zinc/36/16/08/171361608.db2.gz ODVAFHNDGXIJKP-LLVKDONJSA-N 1 0 263.341 0.805 10 0 CCAERO CC(C)O[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000653198629 412258144 /nfs/dbraw/zinc/25/81/44/412258144.db2.gz FZVTVPAVMQFLIJ-QWHCGFSZSA-N 1 0 270.373 0.638 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc2cc[nH]c2c1 ZINC000653139296 412238689 /nfs/dbraw/zinc/23/86/89/412238689.db2.gz YZHDQSHSXNVSEO-AAEUAGOBSA-N 1 0 259.309 0.478 10 0 CCAERO CC(C)(C)[C@H](O)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653149934 412241894 /nfs/dbraw/zinc/24/18/94/412241894.db2.gz LSBQQXWSSCGLBM-IWSPIJDZSA-N 1 0 282.306 0.908 10 0 CCAERO CC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCOC2)[C@H](CC)CO1 ZINC000653176966 412253340 /nfs/dbraw/zinc/25/33/40/412253340.db2.gz HFIPFVVUZPDPLD-JHJVBQTASA-N 1 0 270.373 0.638 10 0 CCAERO CNC(=O)CN1CCC([NH2+]CCCSC)CC1 ZINC000035273471 172093514 /nfs/dbraw/zinc/09/35/14/172093514.db2.gz BMNROEBSASTIFI-UHFFFAOYSA-N 1 0 259.419 0.540 10 0 CCAERO C[C@@H](NC(=O)[C@H](C)N1CC[NH2+]CC1)c1ccncc1 ZINC000035694184 172363042 /nfs/dbraw/zinc/36/30/42/172363042.db2.gz KWPNHJKLMALMIN-NEPJUHHUSA-N 1 0 262.357 0.553 10 0 CCAERO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000035735683 172388843 /nfs/dbraw/zinc/38/88/43/172388843.db2.gz ITEKVXLOUAKQTO-AEJSXWLSSA-N 1 0 257.334 0.378 10 0 CCAERO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1c[nH]c(=O)[nH]1 ZINC000036256769 172549214 /nfs/dbraw/zinc/54/92/14/172549214.db2.gz DCWJXKKBGWUZPK-QMMMGPOBSA-N 1 0 250.302 0.108 10 0 CCAERO CO[C@H]1C[NH2+]C[C@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000036265125 172559604 /nfs/dbraw/zinc/55/96/04/172559604.db2.gz BCQYXROUEUMDFM-MNOVXSKESA-N 1 0 290.772 0.605 10 0 CCAERO CCNS(=O)(=O)c1ccccc1N[C@@H]1C[C@@H]1[NH3+] ZINC000036267637 172562605 /nfs/dbraw/zinc/56/26/05/172562605.db2.gz OFMSZLNJUPTYLD-WCBMZHEXSA-N 1 0 255.343 0.496 10 0 CCAERO Cc1cccnc1C[N@@H+]1CC[C@](O)(c2cn[nH]n2)C1 ZINC000285508586 196307522 /nfs/dbraw/zinc/30/75/22/196307522.db2.gz NLYGZSZRHCGZOQ-CYBMUJFWSA-N 1 0 259.313 0.602 10 0 CCAERO CCC[NH2+]C[C@@H](O)COc1ccc(C(N)=O)cc1 ZINC000036951131 172824634 /nfs/dbraw/zinc/82/46/34/172824634.db2.gz IDPSBFWIIPHDOE-LLVKDONJSA-N 1 0 252.314 0.525 10 0 CCAERO C[N@H+]([C@H]1CCSC1)[C@]1(CN)CN2CCC1CC2 ZINC000037174572 173009480 /nfs/dbraw/zinc/00/94/80/173009480.db2.gz IIPRKZJFDTXPAJ-QWHCGFSZSA-N 1 0 255.431 0.847 10 0 CCAERO O=C(CN1CCC[NH2+]CC1)NCCc1ccccc1 ZINC000037365362 173154871 /nfs/dbraw/zinc/15/48/71/173154871.db2.gz SCMVLMTWXBMJGN-UHFFFAOYSA-N 1 0 261.369 0.641 10 0 CCAERO C[NH2+][C@@](C)(C(N)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000037459017 173224009 /nfs/dbraw/zinc/22/40/09/173224009.db2.gz PZLXPFQKMDXUKD-LLVKDONJSA-N 1 0 256.327 0.010 10 0 CCAERO CCN(CC)S(=O)(=O)N(CC)[C@@H]1CCC[NH2+]C1 ZINC000037540724 173261986 /nfs/dbraw/zinc/26/19/86/173261986.db2.gz SQQBDXPHQXGXTB-LLVKDONJSA-N 1 0 263.407 0.647 10 0 CCAERO NC(=O)CN(C[C@@H]1CCCCO1)C1CC[NH2+]CC1 ZINC000037543116 173263855 /nfs/dbraw/zinc/26/38/55/173263855.db2.gz CDETVVOICHKLRL-LBPRGKRZSA-N 1 0 255.362 0.095 10 0 CCAERO NC(=O)CN(C(=O)c1ccc(Cl)o1)C1CC[NH2+]CC1 ZINC000037542299 173263904 /nfs/dbraw/zinc/26/39/04/173263904.db2.gz SNPDHMGQEAKVDL-UHFFFAOYSA-N 1 0 285.731 0.613 10 0 CCAERO C[C@@H]([NH2+]CCS(C)(=O)=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000037740674 173661463 /nfs/dbraw/zinc/66/14/63/173661463.db2.gz LLJDEIDTHGQDBL-MRVPVSSYSA-N 1 0 283.353 0.551 10 0 CCAERO CCOC(=O)CN(CCOC)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000037813800 173761459 /nfs/dbraw/zinc/76/14/59/173761459.db2.gz SQJXRKFOHHRFEB-LLVKDONJSA-N 1 0 272.345 0.024 10 0 CCAERO CC(C)[NH2+]CCCC(=O)N(C)CC(=O)N1CCCC1 ZINC000037818254 173768986 /nfs/dbraw/zinc/76/89/86/173768986.db2.gz RHHKRECLFYXSST-UHFFFAOYSA-N 1 0 269.389 0.845 10 0 CCAERO CC[C@H](C)[NH2+]CC(=O)N1CCN(C(=O)N(C)C)CC1 ZINC000037819415 173771630 /nfs/dbraw/zinc/77/16/30/173771630.db2.gz LEQVGMOSCYQLDN-NSHDSACASA-N 1 0 270.377 0.200 10 0 CCAERO CC(C)N1C(=O)C[C@H]([NH2+]CCc2ccco2)C1=O ZINC000038059325 174069260 /nfs/dbraw/zinc/06/92/60/174069260.db2.gz QGQXNSZJGJYIRN-NSHDSACASA-N 1 0 250.298 0.948 10 0 CCAERO CNC(=O)[C@@H](CC(C)C)NC(=O)CC1CC[NH2+]CC1 ZINC000038075166 174085373 /nfs/dbraw/zinc/08/53/73/174085373.db2.gz WKSNBDSCJRFXOS-GFCCVEGCSA-N 1 0 269.389 0.653 10 0 CCAERO NC(=O)[C@H]1CCCCN1C(=O)CC1CC[NH2+]CC1 ZINC000038075678 174085569 /nfs/dbraw/zinc/08/55/69/174085569.db2.gz ZDQBSBRYPUOQPX-LLVKDONJSA-N 1 0 253.346 0.243 10 0 CCAERO C[C@@H](Cc1ccco1)[NH2+]C[C@H](O)CN1CCOCC1 ZINC000038092501 174106519 /nfs/dbraw/zinc/10/65/19/174106519.db2.gz BIGNAYADVDAILP-STQMWFEESA-N 1 0 268.357 0.493 10 0 CCAERO CCC[C@@](C)([NH3+])C(=O)N1CCN(C(=O)OC)CC1 ZINC000038101855 174117804 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523973946 /nfs/dbraw/zinc/97/39/46/523973946.db2.gz APAGMCMMJULSTH-GFCCVEGCSA-N 1 0 256.346 0.346 10 0 CCAERO C[NH+](C)C1CCN(CC[C@H]([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000062449349 524040101 /nfs/dbraw/zinc/04/01/01/524040101.db2.gz NLYWIONRTOFAQH-ZDUSSCGKSA-N 1 0 269.389 0.608 10 0 CCAERO C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055088775 524340785 /nfs/dbraw/zinc/34/07/85/524340785.db2.gz SWFHKDZYTOEJQS-QCNOEVLYSA-N 1 0 267.373 0.616 10 0 CCAERO C[C@@H](CC[NH+](C)C)NC(=O)N1CCCNC(=O)[C@H]1C ZINC000364540640 524468688 /nfs/dbraw/zinc/46/86/88/524468688.db2.gz PYJOVSDVGQYRFO-WDEREUQCSA-N 1 0 270.377 0.247 10 0 CCAERO COC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000616568980 545103085 /nfs/dbraw/zinc/10/30/85/545103085.db2.gz FNXRVGHOPKNWIS-NWDGAFQWSA-N 1 0 280.299 0.560 10 0 CCAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)Cn1ccc(N)n1 ZINC000050468335 524602164 /nfs/dbraw/zinc/60/21/64/524602164.db2.gz MCWFRKZKJDBPAR-NSHDSACASA-N 1 0 265.361 0.456 10 0 CCAERO C[C@@H](CN1CCCCC1)[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000049500654 524606531 /nfs/dbraw/zinc/60/65/31/524606531.db2.gz ZSDDPOSEAQNOLS-NWDGAFQWSA-N 1 0 260.403 0.638 10 0 CCAERO COc1ccc(NS(=O)(=O)CC[NH2+]C(C)C)cn1 ZINC000049631765 524684294 /nfs/dbraw/zinc/68/42/94/524684294.db2.gz FCHSLLXJDUSZFM-UHFFFAOYSA-N 1 0 273.358 0.830 10 0 CCAERO C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCN1C(=O)C1CCCC1 ZINC000261638214 536398931 /nfs/dbraw/zinc/39/89/31/536398931.db2.gz DDBHKWDHAZYWSK-YPMHNXCESA-N 1 0 281.400 0.892 10 0 CCAERO COc1ccc([C@H](C(N)=O)N2CC[NH2+]CC2)cc1C ZINC000050597156 525286775 /nfs/dbraw/zinc/28/67/75/525286775.db2.gz FBYYFBGQSTZZMI-CYBMUJFWSA-N 1 0 263.341 0.435 10 0 CCAERO Cc1[nH]c(=O)sc1S(=O)(=O)N[C@@H](C)CC[NH+](C)C ZINC000049561755 525404058 /nfs/dbraw/zinc/40/40/58/525404058.db2.gz APDJFGYLIHNMOK-ZETCQYMHSA-N 1 0 293.414 0.363 10 0 CCAERO C[C@H](NS(=O)(=O)c1cnn(C)c1)[C@@H]1CCCC[NH2+]1 ZINC000050253539 525515662 /nfs/dbraw/zinc/51/56/62/525515662.db2.gz KZBZYRORYVFYDK-ONGXEEELSA-N 1 0 272.374 0.229 10 0 CCAERO Cc1cccnc1NS(=O)(=O)C[C@H]1CCC[NH2+]1 ZINC000049631739 525544995 /nfs/dbraw/zinc/54/49/95/525544995.db2.gz VVACZDMFDRRATM-SNVBAGLBSA-N 1 0 255.343 0.884 10 0 CCAERO C[C@H](C(=O)N1CCC[C@@H](C)[C@H]1C)N1CC[NH2+]CC1 ZINC000050567527 525969060 /nfs/dbraw/zinc/96/90/60/525969060.db2.gz OFBRXUTWUVEFTP-JHJVBQTASA-N 1 0 253.390 0.927 10 0 CCAERO c1cn(CCC[NH2+]CCCN2CCOCC2)cn1 ZINC000049327928 526531569 /nfs/dbraw/zinc/53/15/69/526531569.db2.gz IETDHHGZNUJOKH-UHFFFAOYSA-N 1 0 252.362 0.585 10 0 CCAERO NC(=O)CN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)C1CCCC1 ZINC000055088642 526877704 /nfs/dbraw/zinc/87/77/04/526877704.db2.gz KAERRPFZZIUVDO-MNOVXSKESA-N 1 0 267.373 0.760 10 0 CCAERO NC(=O)[C@H]1CCCCN1C(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050945991 526999706 /nfs/dbraw/zinc/99/97/06/526999706.db2.gz DWVOTWRYNXKDHO-NWDGAFQWSA-N 1 0 267.373 0.775 10 0 CCAERO O=S(=O)(C[C@H]1CCC[NH2+]C1)NC1CCOCC1 ZINC000049643841 527186316 /nfs/dbraw/zinc/18/63/16/527186316.db2.gz AQSVAWXBXMSSHS-JTQLQIEISA-N 1 0 262.375 0.084 10 0 CCAERO [NH3+]CCc1ccc(S(=O)(=O)N2CC[C@@H](O)C2)s1 ZINC000061712772 527196654 /nfs/dbraw/zinc/19/66/54/527196654.db2.gz IIUNOLLOSUYSOE-MRVPVSSYSA-N 1 0 276.383 0.005 10 0 CCAERO NNc1ccc(C(=O)NCCc2ccccn2)c[nH+]1 ZINC000051092605 527276941 /nfs/dbraw/zinc/27/69/41/527276941.db2.gz NFTTWARPHZJONX-UHFFFAOYSA-N 1 0 257.297 0.735 10 0 CCAERO NNc1ccccc1C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000051096603 527284808 /nfs/dbraw/zinc/28/48/08/527284808.db2.gz MALSXHQDVOPHGV-CYBMUJFWSA-N 1 0 260.341 0.796 10 0 CCAERO [NH3+][C@H]1CCCCCC[C@H]1C(=O)N1CCS(=O)CC1 ZINC000156324583 527394068 /nfs/dbraw/zinc/39/40/68/527394068.db2.gz CIXSCSBKVROVSG-NEPJUHHUSA-N 1 0 272.414 0.875 10 0 CCAERO Nc1cc(C[N@@H+]2CC[C@H](O)C2)c2c(c1)COCO2 ZINC000061709557 527450089 /nfs/dbraw/zinc/45/00/89/527450089.db2.gz UHBGLDNNJNXFDA-LBPRGKRZSA-N 1 0 250.298 0.702 10 0 CCAERO O=c1n(CC[NH2+]Cc2ccco2)nc2n1CCCC2 ZINC000061817890 527493725 /nfs/dbraw/zinc/49/37/25/527493725.db2.gz KWGLLKSCCNMMEQ-UHFFFAOYSA-N 1 0 262.313 0.764 10 0 CCAERO CC(C)S(=O)(=O)CCN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000261542575 535094860 /nfs/dbraw/zinc/09/48/60/535094860.db2.gz PNFZSHWUPWYBHV-RYUDHWBXSA-N 1 0 262.419 0.869 10 0 CCAERO C[C@@H]1C[NH2+]CCN1Cc1c2c(nn1C)CCOC2 ZINC000675055980 545320641 /nfs/dbraw/zinc/32/06/41/545320641.db2.gz GGFAPPCIAYQANM-SNVBAGLBSA-N 1 0 250.346 0.287 10 0 CCAERO CS(=O)(=O)N([C@H](CC[NH3+])C(F)(F)F)C1CC1 ZINC000675059000 545320642 /nfs/dbraw/zinc/32/06/42/545320642.db2.gz GILKQHWYDLNOLW-SSDOTTSWSA-N 1 0 260.281 0.690 10 0 CCAERO CCOC(=O)N1CCC([C@@H](C[NH3+])C(=O)OC)CC1 ZINC000675072495 545320996 /nfs/dbraw/zinc/32/09/96/545320996.db2.gz DHAMLQGTEUWIHM-SNVBAGLBSA-N 1 0 258.318 0.603 10 0 CCAERO CC(C)CC(=O)NC[C@@]12C[NH2+]C[C@H]1S(=O)(=O)CCC2 ZINC000675073006 545321006 /nfs/dbraw/zinc/32/10/06/545321006.db2.gz JOZSUUAOJPHBJU-DGCLKSJQSA-N 1 0 288.413 0.316 10 0 CCAERO CC(C)CC(=O)N1C[C@H]2[C@](C[NH3+])(C1)CCCS2(=O)=O ZINC000675073712 545321010 /nfs/dbraw/zinc/32/10/10/545321010.db2.gz SWLYUJHAAPNTOO-WCQYABFASA-N 1 0 288.413 0.397 10 0 CCAERO CC(C)n1ncc(C[NH2+]C2CC2)c1S(N)(=O)=O ZINC000675075188 545321012 /nfs/dbraw/zinc/32/10/12/545321012.db2.gz MLHFLODUJDLWJR-UHFFFAOYSA-N 1 0 258.347 0.363 10 0 CCAERO [NH3+]C[C@]12CN(C(=O)CC3CC3)C[C@@H]1S(=O)(=O)CCC2 ZINC000675073423 545321056 /nfs/dbraw/zinc/32/10/56/545321056.db2.gz PFEYKZPMYQVQDQ-WCQYABFASA-N 1 0 286.397 0.151 10 0 CCAERO O=C(CC1CC1)NC[C@@]12C[NH2+]C[C@@H]1S(=O)(=O)CCC2 ZINC000675072235 545321167 /nfs/dbraw/zinc/32/11/67/545321167.db2.gz AFWHJMSBXBQJLK-WCQYABFASA-N 1 0 286.397 0.070 10 0 CCAERO Cn1ncnc1C1=C[C@H]([NH3+])CN(C(=O)OC(C)(C)C)C1 ZINC000675079065 545321409 /nfs/dbraw/zinc/32/14/09/545321409.db2.gz VLYDGJGXGOYHSC-JTQLQIEISA-N 1 0 279.344 0.777 10 0 CCAERO CC1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)CC1 ZINC000261878394 535272800 /nfs/dbraw/zinc/27/28/00/535272800.db2.gz DXVRMRNVDWFBKD-KGLIPLIRSA-N 1 0 276.384 0.982 10 0 CCAERO CC[NH+](CC)CC(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000135297179 535493799 /nfs/dbraw/zinc/49/37/99/535493799.db2.gz MYUSCXMEAGENTK-CYBMUJFWSA-N 1 0 291.399 0.903 10 0 CCAERO CCOC(=O)[C@H](C)CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261643686 535608688 /nfs/dbraw/zinc/60/86/88/535608688.db2.gz CXESYHYWJJTXCH-GMTAPVOTSA-N 1 0 256.346 0.677 10 0 CCAERO CNS(=O)(=O)c1cccc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000085361401 536326291 /nfs/dbraw/zinc/32/62/91/536326291.db2.gz FDTJMMXGUWGEFV-RYUDHWBXSA-N 1 0 297.380 0.661 10 0 CCAERO C[NH2+][C@@H](C)CNC(=O)C[C@H](NC(N)=O)c1cccs1 ZINC000261838008 536339586 /nfs/dbraw/zinc/33/95/86/536339586.db2.gz VYOXCRJTBRNTHA-IUCAKERBSA-N 1 0 284.385 0.572 10 0 CCAERO C[N@H+](CCOCCO)C[C@H]1Cc2ccccc2O1 ZINC000373000133 536397055 /nfs/dbraw/zinc/39/70/55/536397055.db2.gz LUEAYUBBFOSJFY-CYBMUJFWSA-N 1 0 251.326 0.931 10 0 CCAERO COCCOc1cc(C)ccc1CNC(=O)C1C[NH2+]C1 ZINC000262293981 536599199 /nfs/dbraw/zinc/59/91/99/536599199.db2.gz YFDFMFYXWRIJQD-UHFFFAOYSA-N 1 0 278.352 0.856 10 0 CCAERO COc1cc(C)cc(C)c1S(=O)(=O)N[C@@H](C)C[NH3+] ZINC000262745110 536635449 /nfs/dbraw/zinc/63/54/49/536635449.db2.gz DMMHUWFPGCUBKJ-JTQLQIEISA-N 1 0 272.370 0.938 10 0 CCAERO C[C@H]([NH2+]CC[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCO1 ZINC000680409543 545427863 /nfs/dbraw/zinc/42/78/63/545427863.db2.gz JRLYGYUVUSHYOB-TUAOUCFPSA-N 1 0 261.387 0.968 10 0 CCAERO COc1ncnc(OC)c1-c1nc(C2([NH3+])CCC2)no1 ZINC000261929383 536905177 /nfs/dbraw/zinc/90/51/77/536905177.db2.gz LHNQKMFRMSYDFQ-UHFFFAOYSA-N 1 0 277.284 0.882 10 0 CCAERO COc1ccccc1C(C)(C)C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262302046 537003824 /nfs/dbraw/zinc/00/38/24/537003824.db2.gz PRYZCJHMGVFPPI-DGCLKSJQSA-N 1 0 292.379 0.669 10 0 CCAERO Cc1ncccc1C[N@@H+]1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000794011399 581328672 /nfs/dbraw/zinc/32/86/72/581328672.db2.gz ZQQVMUXIRWCKPB-AWEZNQCLSA-N 1 0 273.340 0.992 10 0 CCAERO CN1CCOC[C@]12C[NH2+]C1(CCSCC1)OC2 ZINC000757142558 581679382 /nfs/dbraw/zinc/67/93/82/581679382.db2.gz 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/nfs/dbraw/zinc/03/55/66/614035566.db2.gz SWHWYRRQKHORCW-CYBMUJFWSA-N 1 0 253.390 0.881 10 0 CCAERO CC(C)(C(=O)N[C@@H]1CCc2ncnn2C1)[NH+]1CCCCC1 ZINC000906666559 614301451 /nfs/dbraw/zinc/30/14/51/614301451.db2.gz BSACANHIDPXLBN-GFCCVEGCSA-N 1 0 291.399 0.974 10 0 CCAERO CCN1CCO[C@H](CNC(=[NH2+])NC2CCCC2)C1 ZINC000134706699 615186674 /nfs/dbraw/zinc/18/66/74/615186674.db2.gz BAFPJFRRUUGVOT-GFCCVEGCSA-N 1 0 254.378 0.764 10 0 CCAERO CC[C@H]1CC(=O)N(CN2CC[N@H+](CCOC)[C@H](C)C2)C1 ZINC000119324911 615878273 /nfs/dbraw/zinc/87/82/73/615878273.db2.gz FXPWROORYXEVFZ-KGLIPLIRSA-N 1 0 283.416 0.855 10 0 CCAERO CCn1cc(C(=O)NC[C@@H]2CCc3nccn3C2)nn1 ZINC000935516669 615947831 /nfs/dbraw/zinc/94/78/31/615947831.db2.gz JVTMCJOEMKGVLT-JTQLQIEISA-N 1 0 274.328 0.487 10 0 CCAERO COCCN1CC[N@H+](CCC2OCCO2)C[C@@H]1C ZINC000124174634 616370884 /nfs/dbraw/zinc/37/08/84/616370884.db2.gz XVMASGDYVQVHQG-LBPRGKRZSA-N 1 0 258.362 0.402 10 0 CCAERO COCC[N@@H+]1CCN(c2nc(C)cc(N)n2)C[C@@H]1C ZINC000892354020 616376864 /nfs/dbraw/zinc/37/68/64/616376864.db2.gz HYBIMICZRQPLDK-NSHDSACASA-N 1 0 265.361 0.524 10 0 CCAERO COC1(C[NH2+][C@H]2C[C@@H](O)[C@@H]2n2cccn2)CCOCC1 ZINC000888076221 616454941 /nfs/dbraw/zinc/45/49/41/616454941.db2.gz JTCFLCGYNZTSTJ-YNEHKIRRSA-N 1 0 281.356 0.343 10 0 CCAERO CNC(=O)[C@]1(COC)CCC[N@@H+]1Cc1cc[nH]c1 ZINC000886096767 616894934 /nfs/dbraw/zinc/89/49/34/616894934.db2.gz DWNVRTUNJDLKNV-CYBMUJFWSA-N 1 0 251.330 0.742 10 0 CCAERO COC(=O)N[C@@H](C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)C(C)C ZINC000108462806 616902785 /nfs/dbraw/zinc/90/27/85/616902785.db2.gz XYNMAGWSEFIIHG-DGCLKSJQSA-N 1 0 297.399 0.968 10 0 CCAERO CC[C@@H]1CN(CN2C[C@@H](C)CC2=O)CC[N@@H+]1CCOC ZINC000246973466 622637305 /nfs/dbraw/zinc/63/73/05/622637305.db2.gz FAVGKVNAICKARH-UONOGXRCSA-N 1 0 283.416 0.855 10 0 CCAERO COC(=O)c1ncn(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1 ZINC000247141808 622751303 /nfs/dbraw/zinc/75/13/03/622751303.db2.gz RHOLIDZGBMXHLO-QWRGUYRKSA-N 1 0 279.344 0.191 10 0 CCAERO COc1ccc(C(=O)NCC2CC([NH3+])C2)c(O)c1 ZINC000091526054 622850099 /nfs/dbraw/zinc/85/00/99/622850099.db2.gz QOSIKHWNWJYUOI-UHFFFAOYSA-N 1 0 250.298 0.868 10 0 CCAERO C[C@H](NC(=O)[C@H]1CCC[NH2+]C1)C(=O)OC1CCCC1 ZINC000161965271 623036006 /nfs/dbraw/zinc/03/60/06/623036006.db2.gz MCCACOXLUPBJHM-QWRGUYRKSA-N 1 0 268.357 0.977 10 0 CCAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CSCCS2)C1 ZINC000177099874 623329253 /nfs/dbraw/zinc/32/92/53/623329253.db2.gz ATFKODKXDHOMBM-NXEZZACHSA-N 1 0 260.428 0.998 10 0 CCAERO C[NH+](C)C[C@H]1CN(CN2C(=O)C(C)(C)C2(C)C)CCO1 ZINC000177689611 623446407 /nfs/dbraw/zinc/44/64/07/623446407.db2.gz OJNYZHFYGBMVSS-LBPRGKRZSA-N 1 0 283.416 0.853 10 0 CCAERO CCC[C@H]([NH3+])C(=O)NC[C@@H](O)c1ccccc1OC ZINC000178029719 623498527 /nfs/dbraw/zinc/49/85/27/623498527.db2.gz FRHFYGAYEPOPBC-NWDGAFQWSA-N 1 0 266.341 0.972 10 0 CCAERO C[C@H]([NH2+]C[C@@H](O)CO)c1ccc2c(c1)OCCO2 ZINC000090282725 624482248 /nfs/dbraw/zinc/48/22/48/624482248.db2.gz ZVWMXSOMIONKCY-GXSJLCMTSA-N 1 0 253.298 0.462 10 0 CCAERO CCOC(=O)N1CCN(C(=O)C2CC([NH3+])C2)CC1 ZINC000258773075 631001840 /nfs/dbraw/zinc/00/18/40/631001840.db2.gz PYGNRRKJYWLUCA-UHFFFAOYSA-N 1 0 255.318 0.024 10 0 CCAERO CCC[NH2+][C@@H](C)c1nc([C@@H]2CN3CCN2CC3)no1 ZINC000094511728 631365817 /nfs/dbraw/zinc/36/58/17/631365817.db2.gz QUJUBHRJPOVKHG-QWRGUYRKSA-N 1 0 265.361 0.803 10 0 CCAERO CCN1CCO[C@H](C[NH2+]C2CCN(OC)CC2)C1 ZINC000323142687 633390021 /nfs/dbraw/zinc/39/00/21/633390021.db2.gz YQOMYTBBIJODDE-CYBMUJFWSA-N 1 0 257.378 0.323 10 0 CCAERO Cc1nn(C)c2cnn(CCC(=O)NCC[NH+](C)C)c12 ZINC000223858538 636910507 /nfs/dbraw/zinc/91/05/07/636910507.db2.gz RGURHSOHGFEMNN-UHFFFAOYSA-N 1 0 278.360 0.146 10 0 CCAERO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N1CCO[C@H](CO)C1 ZINC000167947650 636986542 /nfs/dbraw/zinc/98/65/42/636986542.db2.gz CPEXKTLJDKWTHT-SDDRHHMPSA-N 1 0 256.346 0.114 10 0 CCAERO COC(=O)[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@@H]1C ZINC000227807134 637036529 /nfs/dbraw/zinc/03/65/29/637036529.db2.gz RXBVWNRZCIGZOB-WDEREUQCSA-N 1 0 254.330 0.350 10 0 CCAERO [NH3+][C@H]1CN[C@H](C(=O)N2CCC(c3cccc(O)c3)CC2)C1 ZINC000067842862 637131014 /nfs/dbraw/zinc/13/10/14/637131014.db2.gz XQAKQFUYHMNQCF-HIFRSBDPSA-N 1 0 289.379 0.787 10 0 CCAERO COCC(=O)Nc1ccc(NC(=O)[C@H]2CC[NH2+]C2)cc1 ZINC000062113778 637151252 /nfs/dbraw/zinc/15/12/52/637151252.db2.gz PMPFYFDVEDGTIK-JTQLQIEISA-N 1 0 277.324 0.820 10 0 CCAERO CC[C@@H](O)C[NH+]1CCN(Cc2ncc(Cl)n2C)CC1 ZINC000172356127 637171898 /nfs/dbraw/zinc/17/18/98/637171898.db2.gz HCGRTMJAATUBAI-LLVKDONJSA-N 1 0 286.807 0.962 10 0 CCAERO COC(=O)[C@@H]([NH3+])CCn1cc(Br)cn1 ZINC000062536405 637173455 /nfs/dbraw/zinc/17/34/55/637173455.db2.gz VXCVUIWMLLRMAS-ZETCQYMHSA-N 1 0 262.107 0.536 10 0 CCAERO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1[nH]cnc1C ZINC000067966355 638233479 /nfs/dbraw/zinc/23/34/79/638233479.db2.gz ACABRIHZHKQYGC-YPMHNXCESA-N 1 0 279.388 0.488 10 0 CCAERO C[C@@H](CN1CCOCC1)OC(=O)CCn1cccn1 ZINC000181612331 638396852 /nfs/dbraw/zinc/39/68/52/638396852.db2.gz GCEKBLKUKIYCPT-LBPRGKRZSA-N 1 0 267.329 0.537 10 0 CCAERO CCCOc1ccnc(N2CCO[C@H]([C@H](C)[NH3+])C2)n1 ZINC000252787413 638411032 /nfs/dbraw/zinc/41/10/32/638411032.db2.gz WKEHWHCRUMFLBK-QWRGUYRKSA-N 1 0 266.345 0.818 10 0 CCAERO O=C(CC[C@H]1CC[NH2+]C1)NC[C@@H](O)C(F)(F)F ZINC000230172915 639061741 /nfs/dbraw/zinc/06/17/41/639061741.db2.gz IXPBRPADMKCVMY-JGVFFNPUSA-N 1 0 254.252 0.416 10 0 CCAERO O=C(n1ccnc1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000112019296 644180691 /nfs/dbraw/zinc/18/06/91/644180691.db2.gz MKRMUIPMSYNAPD-UHFFFAOYSA-N 1 0 278.356 0.895 10 0 CCAERO O=C(C[C@H]1CC[NH2+]C1)NC[C@@H](O)c1ccc(F)cc1 ZINC000128142019 647145095 /nfs/dbraw/zinc/14/50/95/647145095.db2.gz NQMZLTKQXFWTOQ-ZWNOBZJWSA-N 1 0 266.316 0.975 10 0 CCAERO Cc1ccccc1CCC(=O)N[C@@H]1C[NH2+]C[C@@H]1n1ccnn1 ZINC000886077639 647897727 /nfs/dbraw/zinc/89/77/27/647897727.db2.gz NCFQTKXOAYJRNS-CABCVRRESA-N 1 0 299.378 0.848 10 0 CCAERO C[C@H]1CN(Cc2ccc(OCC(N)=O)cc2)C[C@H]1[NH3+] ZINC000300092867 648102372 /nfs/dbraw/zinc/10/23/72/648102372.db2.gz VHVZZXJQLKHQNQ-GXFFZTMASA-N 1 0 263.341 0.330 10 0 CCAERO Cc1cnn(C[C@@H]2CN(C(=O)CCCCC[NH3+])CCO2)c1 ZINC000155684710 649291838 /nfs/dbraw/zinc/29/18/38/649291838.db2.gz UUQZWQOSGGSXPB-AWEZNQCLSA-N 1 0 294.399 0.938 10 0 CCAERO C[C@H]1CN(C(=S)NCCC[NH+](C)C)C[C@H](C)O1 ZINC000044205160 649294186 /nfs/dbraw/zinc/29/41/86/649294186.db2.gz DHHSNYRTFCQCHG-QWRGUYRKSA-N 1 0 259.419 0.922 10 0 CCAERO CN(CC(=O)NC1CC1)C(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089388185 649654148 /nfs/dbraw/zinc/65/41/48/649654148.db2.gz UEOHLCKHFSJAFH-CMPLNLGQSA-N 1 0 267.373 0.489 10 0 CCAERO CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000089392040 649656127 /nfs/dbraw/zinc/65/61/27/649656127.db2.gz HRLMIWXKCIZNEW-MGPQQGTHSA-N 1 0 281.400 0.879 10 0 CCAERO O=C1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3O)C(=O)N1 ZINC000089752566 649662973 /nfs/dbraw/zinc/66/29/73/649662973.db2.gz QLTRYWGLUPXZQZ-WDEREUQCSA-N 1 0 260.293 0.774 10 0 CCAERO [NH3+][C@@H]1CC[C@H](C(=O)NCC(=O)NCc2ccccc2)C1 ZINC000091546385 649706397 /nfs/dbraw/zinc/70/63/97/649706397.db2.gz NTCMRDXDWCQCDT-QWHCGFSZSA-N 1 0 275.352 0.546 10 0 CCAERO C[C@H](O)C[N@@H+]1CCN(CCC2OCCO2)C[C@H]1C ZINC000248620444 649735211 /nfs/dbraw/zinc/73/52/11/649735211.db2.gz MKUAOYKHFMTUFV-NEPJUHHUSA-N 1 0 258.362 0.136 10 0 CCAERO [NH3+][C@@H]1CCCC[C@@H]1c1nc([C@H]2CN3CCN2CC3)no1 ZINC000251101701 649804183 /nfs/dbraw/zinc/80/41/83/649804183.db2.gz KACWFVZFCGHVFW-QJPTWQEYSA-N 1 0 277.372 0.727 10 0 CCAERO C[NH+](C)CC1(O)CC[NH+]([C@H](C(=O)[O-])C2CC2)CC1 ZINC000710593604 955031772 /nfs/dbraw/zinc/03/17/72/955031772.db2.gz ACUYWOVHBIXUNP-NSHDSACASA-N 1 0 256.346 0.238 10 0 CCAERO C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC000692686954 976534926 /nfs/dbraw/zinc/53/49/26/976534926.db2.gz KIGSQYPPTDLVHY-UTUOFQBUSA-N 1 0 256.346 0.238 10 0 CCAERO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])CCC(=O)[O-])C1 ZINC000693916381 976658796 /nfs/dbraw/zinc/65/87/96/976658796.db2.gz UEJLUTGZEMPZGI-NXEZZACHSA-N 1 0 271.361 0.168 10 0 CCAERO O=C([O-])[C@H]1C[C@H](O)C[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000695389464 976795686 /nfs/dbraw/zinc/79/56/86/976795686.db2.gz LBXXUVQJESYEBO-STQMWFEESA-N 1 0 270.373 0.630 10 0 CCAERO CN1CCO[C@@H](CNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000091669305 349472964 /nfs/dbraw/zinc/47/29/64/349472964.db2.gz SCNQCPPHKBVGOD-GJZGRUSLSA-N 1 0 291.395 0.913 10 0 CCAERO CC(C)n1cncc1C[NH2+]C[C@H]1CN(C)CCO1 ZINC000091667253 349472250 /nfs/dbraw/zinc/47/22/50/349472250.db2.gz LHYQTIQUVIWONX-ZDUSSCGKSA-N 1 0 252.362 0.884 10 0 CCAERO C[NH2+]Cc1sc(CS(C)(=O)=O)nc1COC ZINC000082445898 178023159 /nfs/dbraw/zinc/02/31/59/178023159.db2.gz AVGRFIUQXCVGPT-UHFFFAOYSA-N 1 0 264.372 0.554 10 0 CCAERO CNC(=O)CCC[N@H+](C)Cc1c(C)nn(C)c1OC ZINC000093717894 349552679 /nfs/dbraw/zinc/55/26/79/349552679.db2.gz VVWWDHZBWXDKPA-UHFFFAOYSA-N 1 0 268.361 0.695 10 0 CCAERO COC(=O)[C@@H]1CCCCN1C(=O)CC1([NH3+])CCC1 ZINC000094294456 349565963 /nfs/dbraw/zinc/56/59/63/349565963.db2.gz AZONBFUQOVIZFJ-JTQLQIEISA-N 1 0 254.330 0.812 10 0 CCAERO COC(=O)[C@@H]1CCCCN1C(=O)c1ccc(C[NH3+])o1 ZINC000094567966 349569385 /nfs/dbraw/zinc/56/93/85/349569385.db2.gz WFBWCYAMYHTRCN-JTQLQIEISA-N 1 0 266.297 0.906 10 0 CCAERO Cc1nccnc1S(=O)(=O)N1CCC[C@H](C[NH3+])C1 ZINC000095068758 349585619 /nfs/dbraw/zinc/58/56/19/349585619.db2.gz KYIXZTCPSUSTPH-SNVBAGLBSA-N 1 0 270.358 0.144 10 0 CCAERO O=S(=O)(NC1CC[NH2+]CC1)c1ncccc1Cl ZINC000095069794 349585977 /nfs/dbraw/zinc/58/59/77/349585977.db2.gz MMWAGDNSVNIMCJ-UHFFFAOYSA-N 1 0 275.761 0.765 10 0 CCAERO Cc1ccc(S(=O)(=O)C[C@H]2CCCC[NH2+]2)nn1 ZINC000095069076 349586382 /nfs/dbraw/zinc/58/63/82/349586382.db2.gz KJRNXYBULZEFTR-SNVBAGLBSA-N 1 0 255.343 0.701 10 0 CCAERO Cc1ccnc(S(=O)(=O)NC[C@H]2CCCC[NH2+]2)c1 ZINC000095069199 349586474 /nfs/dbraw/zinc/58/64/74/349586474.db2.gz JGXZBINDEKPVOW-LLVKDONJSA-N 1 0 269.370 0.810 10 0 CCAERO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCC[NH2+]C2)nc1 ZINC000095070604 349587367 /nfs/dbraw/zinc/58/73/67/349587367.db2.gz DDQGAURAHCHIFC-LLVKDONJSA-N 1 0 269.370 0.763 10 0 CCAERO O=S(=O)(C[C@H]1CCC[NH2+]C1)c1ncc(F)cn1 ZINC000095071984 349587426 /nfs/dbraw/zinc/58/74/26/349587426.db2.gz VMRKBIHUMYLFCG-QMMMGPOBSA-N 1 0 259.306 0.389 10 0 CCAERO C[NH+](C)C[C@H]1CN(C(=O)[C@H]2CCCCO2)CCO1 ZINC000123672668 282138824 /nfs/dbraw/zinc/13/88/24/282138824.db2.gz UOEYGFDFCQCMOI-NWDGAFQWSA-N 1 0 256.346 0.345 10 0 CCAERO C[C@H](CCO)C[NH2+]C[C@@H](O)COCc1ccco1 ZINC000097440741 349640921 /nfs/dbraw/zinc/64/09/21/349640921.db2.gz YGGMXWGPGIBPRA-VXGBXAGGSA-N 1 0 257.330 0.765 10 0 CCAERO O=C(C[N@H+]1CCC[C@@H]1CO)N1CCO[C@@H]2CCCC[C@H]21 ZINC000101546602 349663780 /nfs/dbraw/zinc/66/37/80/349663780.db2.gz MWIXCUOAABUJEN-MGPQQGTHSA-N 1 0 282.384 0.613 10 0 CCAERO CCCS(=O)(=O)NC1CC[NH+](CC(C)(C)O)CC1 ZINC000103168569 349691859 /nfs/dbraw/zinc/69/18/59/349691859.db2.gz GMWBHPVXKPNWBU-UHFFFAOYSA-N 1 0 278.418 0.551 10 0 CCAERO O=C(CN1CCNC(=O)CC1)N1CCC[C@@H]2CCCC[C@@H]21 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CC1CC[NH+](C[C@H](O)CNC(=O)N2CCOCC2)CC1 ZINC000109137208 349753234 /nfs/dbraw/zinc/75/32/34/349753234.db2.gz YFYYLJXOZNHQSA-CYBMUJFWSA-N 1 0 285.388 0.121 10 0 CCAERO CC(C)[N@H+](C)CC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112646600 349784166 /nfs/dbraw/zinc/78/41/66/349784166.db2.gz PGURPUAEBWGKOG-SNVBAGLBSA-N 1 0 251.334 0.049 10 0 CCAERO CCC(CC)O[C@@H]1C=C(C(=O)OC)C[C@@H]([NH3+])[C@H]1NC(C)=O ZINC000504544003 282215739 /nfs/dbraw/zinc/21/57/39/282215739.db2.gz HQFJHRGEFIDLDI-MGPQQGTHSA-N 1 0 298.383 0.895 10 0 CCAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N[C@H]2CCCNC2=O)C1 ZINC000356853069 282220922 /nfs/dbraw/zinc/22/09/22/282220922.db2.gz RYOZFJFLUWDGQN-AXFHLTTASA-N 1 0 268.361 0.047 10 0 CCAERO C[C@H](CNC(=O)[C@H]1CNC(=O)C1)[N@H+](C)Cc1ccccc1 ZINC000110353976 231661327 /nfs/dbraw/zinc/66/13/27/231661327.db2.gz MZWOJCVHFGKTQD-TZMCWYRMSA-N 1 0 289.379 0.759 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1csnn1 ZINC000113224437 349805110 /nfs/dbraw/zinc/80/51/10/349805110.db2.gz 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MAUHLHYERCOVNR-UPJWGTAASA-N 1 0 298.770 0.996 10 0 CCAERO CC(=O)N1CSC[C@H]1C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261779810 137019643 /nfs/dbraw/zinc/01/96/43/137019643.db2.gz GBCCZJYPVHJNIA-QWRGUYRKSA-N 1 0 285.413 0.494 10 0 CCAERO C[NH2+][C@@H](C)CNC(=O)c1cc(C)nc2c1cnn2C ZINC000261782968 137020252 /nfs/dbraw/zinc/02/02/52/137020252.db2.gz QELFAFLUWWCCJH-VIFPVBQESA-N 1 0 261.329 0.614 10 0 CCAERO COC(=O)c1cc(CNC[C@@H]2C[NH2+]C[C@H]2O)oc1C ZINC000261827858 137021555 /nfs/dbraw/zinc/02/15/55/137021555.db2.gz ACJNJMIYLFLPFY-BXKDBHETSA-N 1 0 268.313 0.045 10 0 CCAERO CC(C)c1ccc(OCC(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000261897564 137024694 /nfs/dbraw/zinc/02/46/94/137024694.db2.gz ACMOLTCSDVIGDB-UKRRQHHQSA-N 1 0 292.379 0.885 10 0 CCAERO O=C1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)CN1 ZINC000261968718 137027083 /nfs/dbraw/zinc/02/70/83/137027083.db2.gz QHJYTFXJJBEDHX-RVMXOQNASA-N 1 0 267.373 0.012 10 0 CCAERO CO[C@]1(C)C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1(C)C ZINC000262008236 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CC[C@H](Oc1cccc(C)c1)C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262278809 137034722 /nfs/dbraw/zinc/03/47/22/137034722.db2.gz NQWYHYBPXRZVET-YUELXQCFSA-N 1 0 292.379 0.849 10 0 CCAERO C[C@]1(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)CCCc2ccccc21 ZINC000262284355 137035431 /nfs/dbraw/zinc/03/54/31/137035431.db2.gz ODVRKKXHBDMLHV-UNEWFSDZSA-N 1 0 288.391 0.977 10 0 CCAERO COc1cccc([C@@H](O)CNC(=O)C2C[NH2+]C2)c1 ZINC000262299039 137035811 /nfs/dbraw/zinc/03/58/11/137035811.db2.gz ZFVCKKAGPDIILN-LBPRGKRZSA-N 1 0 250.298 0.064 10 0 CCAERO COC[C@H]([NH3+])C(=O)NC1(C(=O)OC)CCC(C)CC1 ZINC000262296397 137035998 /nfs/dbraw/zinc/03/59/98/137035998.db2.gz ZIJLWDDXEKGGQS-QUNCOHTASA-N 1 0 272.345 0.198 10 0 CCAERO C[C@@H]1CC[C@H](CCC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)O1 ZINC000262325155 137038426 /nfs/dbraw/zinc/03/84/26/137038426.db2.gz RSHSLRAGDZJJON-KKOKHZNYSA-N 1 0 256.346 0.031 10 0 CCAERO C[C@H](C(=O)NCC1(C(=O)N(C)C)CCCC1)C1C[NH2+]C1 ZINC000262336723 137038824 /nfs/dbraw/zinc/03/88/24/137038824.db2.gz FEPGWEOFVBJNKH-NSHDSACASA-N 1 0 281.400 0.607 10 0 CCAERO CC[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@H]1O)c1ccccc1 ZINC000262335876 137038953 /nfs/dbraw/zinc/03/89/53/137038953.db2.gz SQTOCBOWEQIFAT-MELADBBJSA-N 1 0 262.353 0.877 10 0 CCAERO Cn1cc(CNC[C@@H]2C[NH2+]C[C@H]2O)c(-c2cccs2)n1 ZINC000263251169 137061927 /nfs/dbraw/zinc/06/19/27/137061927.db2.gz PZGGSMGYYPCMJC-ZYHUDNBSSA-N 1 0 292.408 0.819 10 0 CCAERO Cc1ccc(CNC(=O)C2C[NH2+]C2)c(O[C@@H]2CCOC2)c1 ZINC000263290486 137062838 /nfs/dbraw/zinc/06/28/38/137062838.db2.gz LHZWOHBVLGZOPH-CQSZACIVSA-N 1 0 290.363 0.998 10 0 CCAERO Cn1c(CNC[C@H]2C[NH2+]C[C@H]2O)nc2ccc(Cl)cc21 ZINC000263308162 137063863 /nfs/dbraw/zinc/06/38/63/137063863.db2.gz YEVLCIHUGAZSOD-NOZJJQNGSA-N 1 0 294.786 0.897 10 0 CCAERO C[C@H]1CN(c2ccc(CNC(=O)C3C[NH2+]C3)cn2)CCO1 ZINC000263342612 137064469 /nfs/dbraw/zinc/06/44/69/137064469.db2.gz YBERELQCEJXRFD-NSHDSACASA-N 1 0 290.367 0.142 10 0 CCAERO C[C@@H]([NH2+][C@H]1CCC(=O)NC12CCC2)C(=O)NC1CC1 ZINC000332722264 137080337 /nfs/dbraw/zinc/08/03/37/137080337.db2.gz MPVIFYQKBDZLPB-KOLCDFICSA-N 1 0 265.357 0.444 10 0 CCAERO C[N@@H+]1CC[C@@H](CNC(=O)C[C@H]2CCCCC(=O)N2)C1 ZINC000332732072 137080411 /nfs/dbraw/zinc/08/04/11/137080411.db2.gz MKOLVCGJADJXSP-NWDGAFQWSA-N 1 0 267.373 0.503 10 0 CCAERO C[C@H](NC(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1)c1nc[nH]n1 ZINC000332835881 137081209 /nfs/dbraw/zinc/08/12/09/137081209.db2.gz XQDWAOQQZYFXGA-LPEHRKFASA-N 1 0 266.349 0.648 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCCCNC2=O)C1 ZINC000332838127 137081255 /nfs/dbraw/zinc/08/12/55/137081255.db2.gz GUIYRWVTYUMVEF-QWHCGFSZSA-N 1 0 281.400 0.893 10 0 CCAERO Cc1nn(C)c(C)c1Cc1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263189936 137059844 /nfs/dbraw/zinc/05/98/44/137059844.db2.gz HUZQAGQXLNRGFP-LBPRGKRZSA-N 1 0 290.371 0.587 10 0 CCAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1cc(Cl)cc2c1OCC2 ZINC000263196448 137059925 /nfs/dbraw/zinc/05/99/25/137059925.db2.gz ILUWGVNSXSCFAZ-WCQYABFASA-N 1 0 282.771 0.945 10 0 CCAERO COCCOc1ccc(CNC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263186989 137060132 /nfs/dbraw/zinc/06/01/32/137060132.db2.gz HLJHQRQOOWWQII-HIFRSBDPSA-N 1 0 280.368 0.382 10 0 CCAERO C[NH2+]CCN(C)C(=O)c1cc(=O)n(C)c2ccccc12 ZINC000263233032 137060964 /nfs/dbraw/zinc/06/09/64/137060964.db2.gz IRYLJTDPIDXGDX-UHFFFAOYSA-N 1 0 273.336 0.830 10 0 CCAERO CC[N@@H+]1C[C@@H](COCC(=O)N(C)C)OC(C)(C)C1 ZINC000343338615 137128937 /nfs/dbraw/zinc/12/89/37/137128937.db2.gz FDIMTXIPOPPUPW-NSHDSACASA-N 1 0 258.362 0.591 10 0 CCAERO CC[NH+]1CCN(CC(=O)Nc2cccc(N)c2)CC1 ZINC000019775335 348068996 /nfs/dbraw/zinc/06/89/96/348068996.db2.gz OWCZEOLPBFOKIN-UHFFFAOYSA-N 1 0 262.357 0.845 10 0 CCAERO CO[C@@H]1C[C@H](CO)[N@H+](CCOCC(F)(F)F)C1 ZINC000344677608 137207032 /nfs/dbraw/zinc/20/70/32/137207032.db2.gz NWSAEBASWFOTOL-RKDXNWHRSA-N 1 0 257.252 0.647 10 0 CCAERO CO[C@@H]1C[C@H](CO)[N@H+](CCC(=O)OC(C)(C)C)C1 ZINC000344701087 137208605 /nfs/dbraw/zinc/20/86/05/137208605.db2.gz CVOUFHNLCWLQFC-GHMZBOCLSA-N 1 0 259.346 0.800 10 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0 265.313 0.184 10 0 CCAERO CC(C)C(=O)NCC[NH2+]C[C@@H](O)c1ccc(N)cc1 ZINC000040639661 348240239 /nfs/dbraw/zinc/24/02/39/348240239.db2.gz OWFKSLZOQDOYQW-CYBMUJFWSA-N 1 0 265.357 0.664 10 0 CCAERO CN1C[C@@H](C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)CC1=O ZINC000046170453 348352145 /nfs/dbraw/zinc/35/21/45/348352145.db2.gz AGIJWUWRQZFQRJ-KBPBESRZSA-N 1 0 289.379 0.884 10 0 CCAERO CCOC(=O)c1noc(CN2CC[C@@H](O)C[C@H]2C)n1 ZINC000602931385 362892782 /nfs/dbraw/zinc/89/27/82/362892782.db2.gz UAADIDJKYHUPOQ-RKDXNWHRSA-N 1 0 269.301 0.592 10 0 CCAERO C[C@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)N1CCNC(=O)[C@@H]1C ZINC000104142515 185909186 /nfs/dbraw/zinc/90/91/86/185909186.db2.gz BWUHSWKZFBKPAE-MMWGEVLESA-N 1 0 253.346 0.097 10 0 CCAERO C[C@@H](O)C[N@@H+]1CCN(Cc2csnn2)C[C@H]1C ZINC000120653350 349998396 /nfs/dbraw/zinc/99/83/96/349998396.db2.gz OPUQGAVOLALTKM-NXEZZACHSA-N 1 0 256.375 0.425 10 0 CCAERO O=C1NC[C@@H](C[N@@H+](CCO)Cc2ccccc2)O1 ZINC000049957269 348461671 /nfs/dbraw/zinc/46/16/71/348461671.db2.gz UCXDNVUJIUJUGV-LBPRGKRZSA-N 1 0 250.298 0.589 10 0 CCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2ccc(F)cc2F)C1 ZINC000051017862 348483412 /nfs/dbraw/zinc/48/34/12/348483412.db2.gz VDQFVAHOFKQAFW-ZYHUDNBSSA-N 1 0 270.279 0.958 10 0 CCAERO C[NH2+][C@H](C)C(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000054076384 348541523 /nfs/dbraw/zinc/54/15/23/348541523.db2.gz GHNPMOHDLLJBKF-GFCCVEGCSA-N 1 0 275.352 0.579 10 0 CCAERO O=C(C[C@H]1CCC[NH2+]C1)NCCCN1CCOCC1 ZINC000054290697 348548106 /nfs/dbraw/zinc/54/81/06/348548106.db2.gz WMUDUTDMWBCOSM-CYBMUJFWSA-N 1 0 269.389 0.215 10 0 CCAERO Cc1cc(NC(=O)CN(C)C(=O)C[C@H]2CCC[NH2+]C2)no1 ZINC000054307996 348549342 /nfs/dbraw/zinc/54/93/42/348549342.db2.gz HCJQZSVWXUPDPS-LLVKDONJSA-N 1 0 294.355 0.770 10 0 CCAERO CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CCCO ZINC000052761907 348513711 /nfs/dbraw/zinc/51/37/11/348513711.db2.gz PFBGPITZSONUKY-LLVKDONJSA-N 1 0 271.361 0.459 10 0 CCAERO CN(C)C(=O)N1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000054308115 348549734 /nfs/dbraw/zinc/54/97/34/348549734.db2.gz KKKWMEHBAXYUIN-LBPRGKRZSA-N 1 0 282.388 0.202 10 0 CCAERO CC(C)N(CC(N)=O)C(=O)c1cccn1C1CC[NH2+]CC1 ZINC000054443164 348556080 /nfs/dbraw/zinc/55/60/80/348556080.db2.gz DHAUYXNPKCLVKL-UHFFFAOYSA-N 1 0 292.383 0.749 10 0 CCAERO COC(=O)[C@@H]1CN(CC[NH+]2CCCCC2)CCC1=O ZINC000070460852 348891181 /nfs/dbraw/zinc/89/11/81/348891181.db2.gz ODVVKMOYAMTHFB-GFCCVEGCSA-N 1 0 268.357 0.536 10 0 CCAERO O[C@H](C[NH+]1CCC(O)CC1)c1ccc2c(c1)OCO2 ZINC000070458352 348890396 /nfs/dbraw/zinc/89/03/96/348890396.db2.gz JYLNMVSOJSWTSC-GFCCVEGCSA-N 1 0 265.309 0.905 10 0 CCAERO C[C@H](O)[C@@H]([NH3+])CNc1ncccc1Br ZINC000070826314 348897961 /nfs/dbraw/zinc/89/79/61/348897961.db2.gz XRXTVBZPDICVCM-XPUUQOCRSA-N 1 0 260.135 0.964 10 0 CCAERO COCCOCC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000077729843 349117675 /nfs/dbraw/zinc/11/76/75/349117675.db2.gz AWDJCSQXUDHJBQ-GFCCVEGCSA-N 1 0 260.378 0.742 10 0 CCAERO O=C(CNCC(F)(F)F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000078596064 349144428 /nfs/dbraw/zinc/14/44/28/349144428.db2.gz WHBYSZGCODKVLK-JTQLQIEISA-N 1 0 279.306 0.835 10 0 CCAERO C[C@@H](C(N)=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000079489999 349179450 /nfs/dbraw/zinc/17/94/50/349179450.db2.gz REELIEOWXIUDHM-MNOVXSKESA-N 1 0 255.362 0.045 10 0 CCAERO C[C@]1(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CCC[NH2+]1 ZINC000079510639 349181145 /nfs/dbraw/zinc/18/11/45/349181145.db2.gz AUNGODMHNLJPIT-GFCCVEGCSA-N 1 0 283.353 0.415 10 0 CCAERO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCc2ccccc2CC1 ZINC000079572358 349184057 /nfs/dbraw/zinc/18/40/57/349184057.db2.gz UAAGXHHFUKJNAR-ZIAGYGMSSA-N 1 0 260.337 0.337 10 0 CCAERO [NH3+]CCOCCNC(=O)[C@@H]1COc2ccccc2C1 ZINC000104313856 185964562 /nfs/dbraw/zinc/96/45/62/185964562.db2.gz STEZOBIXIASSRG-LBPRGKRZSA-N 1 0 264.325 0.329 10 0 CCAERO CNC(=O)[C@H]1CCC[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000084962219 349329658 /nfs/dbraw/zinc/32/96/58/349329658.db2.gz VAUYUKHRYIUYNI-LSDHHAIUSA-N 1 0 292.379 0.775 10 0 CCAERO O=C(NCCCOC1CC[NH2+]CC1)c1ccccn1 ZINC000104389065 185988987 /nfs/dbraw/zinc/98/89/87/185988987.db2.gz OGSLHJNJYSTUEO-UHFFFAOYSA-N 1 0 263.341 0.970 10 0 CCAERO CCOC(=O)c1cnc(N(CC)CC[NH3+])nc1C ZINC000122830597 350069975 /nfs/dbraw/zinc/06/99/75/350069975.db2.gz ITCMLBDFVDJYEN-UHFFFAOYSA-N 1 0 252.318 0.747 10 0 CCAERO Cc1ncsc1CN(C)C(=O)[C@H](C)N1CC[NH2+]CC1 ZINC000104436126 186001226 /nfs/dbraw/zinc/00/12/26/186001226.db2.gz NZNBZTDIEPBYLY-NSHDSACASA-N 1 0 282.413 0.704 10 0 CCAERO CC(C)(C)OC(=O)[C@H](N)CCCN1CC[NH2+]CC1 ZINC000090623473 180015016 /nfs/dbraw/zinc/01/50/16/180015016.db2.gz QQAGCDJMQSIJIG-LLVKDONJSA-N 1 0 257.378 0.341 10 0 CCAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1CCS(C)(=O)=O ZINC000090635902 180017309 /nfs/dbraw/zinc/01/73/09/180017309.db2.gz POMYUAYJVUYHNP-SNVBAGLBSA-N 1 0 292.401 0.630 10 0 CCAERO O=C(CC[NH2+]CCOCC(F)(F)F)NC1CC1 ZINC000104448817 186005584 /nfs/dbraw/zinc/00/55/84/186005584.db2.gz LAQCSKPWHOUEHX-UHFFFAOYSA-N 1 0 254.252 0.824 10 0 CCAERO COC[C@H](O)C[N@@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000127215504 350164776 /nfs/dbraw/zinc/16/47/76/350164776.db2.gz ZADLSHDMCUININ-NWDGAFQWSA-N 1 0 288.388 0.983 10 0 CCAERO C[C@@H](NC(=O)C[C@H]1CSCC[NH2+]1)C(=O)N1CCCCC1 ZINC000091135514 180104628 /nfs/dbraw/zinc/10/46/28/180104628.db2.gz JMGWUKLBRPYSNQ-NEPJUHHUSA-N 1 0 299.440 0.599 10 0 CCAERO COC[C@H](O)C[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000126666905 350151371 /nfs/dbraw/zinc/15/13/71/350151371.db2.gz JKKJEKNBULZNGE-OAHLLOKOSA-N 1 0 296.415 0.287 10 0 CCAERO Cc1noc(C)c1S(=O)(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000104748776 186020236 /nfs/dbraw/zinc/02/02/36/186020236.db2.gz LYHGPUZDDADRKC-NSHDSACASA-N 1 0 287.385 0.864 10 0 CCAERO CC(C)(C)OC(=O)N1CC[C@]2(C[NH2+]C[C@H]2CO)C1 ZINC000091303975 180130819 /nfs/dbraw/zinc/13/08/19/180130819.db2.gz AKMLMWHIDAPWQA-GWCFXTLKSA-N 1 0 256.346 0.825 10 0 CCAERO CC[NH+](CC)CC(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000127431609 350168634 /nfs/dbraw/zinc/16/86/34/350168634.db2.gz AHXAJDJTVZYEOD-CYBMUJFWSA-N 1 0 279.388 0.859 10 0 CCAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc3c(c2)C(=O)NC3=O)C1 ZINC000104898353 186030932 /nfs/dbraw/zinc/03/09/32/186030932.db2.gz GJPDMHHVKHBUPQ-SNVBAGLBSA-N 1 0 287.319 0.346 10 0 CCAERO C[N@@H+](CC(=O)NCC(F)(F)F)CC1CC(O)C1 ZINC000091489318 180168758 /nfs/dbraw/zinc/16/87/58/180168758.db2.gz ZPJGXJDVMXAUEA-UHFFFAOYSA-N 1 0 254.252 0.368 10 0 CCAERO OCCOCC[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000128070716 350184588 /nfs/dbraw/zinc/18/45/88/350184588.db2.gz ULCJYLQZIVWFSV-QWHCGFSZSA-N 1 0 253.346 0.965 10 0 CCAERO CCCNC(=O)CCCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000104898315 186030562 /nfs/dbraw/zinc/03/05/62/186030562.db2.gz FPFWKJGNPBFPOJ-GFCCVEGCSA-N 1 0 269.389 0.845 10 0 CCAERO COCCN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000105146093 186043192 /nfs/dbraw/zinc/04/31/92/186043192.db2.gz FRFWUTPIWDKQND-STQMWFEESA-N 1 0 287.404 0.774 10 0 CCAERO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCN(C2CC2)CC1 ZINC000105144503 186044179 /nfs/dbraw/zinc/04/41/79/186044179.db2.gz KNDTYNCQMWOFPC-CYBMUJFWSA-N 1 0 292.427 0.960 10 0 CCAERO CCC[C@H](C(=O)NCCNC(=O)C(C)(C)C)[NH+](C)C ZINC000129280474 350210221 /nfs/dbraw/zinc/21/02/21/350210221.db2.gz QQYXRBOMFIKFBS-LLVKDONJSA-N 1 0 271.405 0.995 10 0 CCAERO C[C@H](CNC(=O)N1CCNC(=O)CC1)[NH+]1CCC(C)CC1 ZINC000105198569 186046204 /nfs/dbraw/zinc/04/62/04/186046204.db2.gz XISJWLMPQWSFLZ-CYBMUJFWSA-N 1 0 296.415 0.638 10 0 CCAERO CC[NH+]1CCN(CCCNC(=O)[C@@H]2CC[C@H](C)O2)CC1 ZINC000130972977 350256452 /nfs/dbraw/zinc/25/64/52/350256452.db2.gz HEIDWYFGYJQRSA-KBPBESRZSA-N 1 0 283.416 0.698 10 0 CCAERO CC(C)(C(=O)NCc1ccccn1)N1CC[NH2+]CC1 ZINC000131198291 350267437 /nfs/dbraw/zinc/26/74/37/350267437.db2.gz HKUFGBSZUPKJNN-UHFFFAOYSA-N 1 0 262.357 0.382 10 0 CCAERO CC(C)(C(=O)N1CCCSCC1)N1CC[NH2+]CC1 ZINC000131258808 350270013 /nfs/dbraw/zinc/27/00/13/350270013.db2.gz ODTBUHCXPPSARG-UHFFFAOYSA-N 1 0 271.430 0.636 10 0 CCAERO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H](O)C(C)(C)C ZINC000132177059 350299297 /nfs/dbraw/zinc/29/92/97/350299297.db2.gz QBDDHAWQTCANQE-UWVGGRQHSA-N 1 0 251.392 0.806 10 0 CCAERO OCCOCC[NH+]1CCC(Cn2cccn2)CC1 ZINC000132977511 350321416 /nfs/dbraw/zinc/32/14/16/350321416.db2.gz INWCCCKHNZGJQK-UHFFFAOYSA-N 1 0 253.346 0.604 10 0 CCAERO COc1c(C[NH2+]C[C@H]2COCCO2)c(C)nn1C ZINC000134135103 350355403 /nfs/dbraw/zinc/35/54/03/350355403.db2.gz XVAHEMSKUGEKAT-JTQLQIEISA-N 1 0 255.318 0.242 10 0 CCAERO O=C(NCC1CC[NH+](CCO)CC1)[C@@H]1C[C@@H]1C1CC1 ZINC000133364654 350333522 /nfs/dbraw/zinc/33/35/22/350333522.db2.gz SHWZAOGNLNHPDU-ZIAGYGMSSA-N 1 0 266.385 0.853 10 0 CCAERO C[NH2+]C[C@H](C)C(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000092134037 180331511 /nfs/dbraw/zinc/33/15/11/180331511.db2.gz ADTDESXKODJDLT-WDEREUQCSA-N 1 0 255.362 0.359 10 0 CCAERO CSC[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000135470739 350397603 /nfs/dbraw/zinc/39/76/03/350397603.db2.gz YDIJPEABRFHFDW-RYUDHWBXSA-N 1 0 299.440 0.538 10 0 CCAERO COCC[N@@H+]1CCN(Cc2cn3cccnc3n2)C[C@H]1C ZINC000105833255 186076116 /nfs/dbraw/zinc/07/61/16/186076116.db2.gz DHMHANIBKUPTJJ-CYBMUJFWSA-N 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ZINC000175740131 351141150 /nfs/dbraw/zinc/14/11/50/351141150.db2.gz HAULNWPSOVOUPB-CYBMUJFWSA-N 1 0 258.362 0.056 10 0 CCAERO COCCOCC[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000175740106 351141307 /nfs/dbraw/zinc/14/13/07/351141307.db2.gz HAULNWPSOVOUPB-ZDUSSCGKSA-N 1 0 258.362 0.056 10 0 CCAERO CN1CCO[C@H](CNC(=O)[C@@H]2CSCCS2)C1 ZINC000177060356 351191883 /nfs/dbraw/zinc/19/18/83/351191883.db2.gz IABDJXJXLKMNJE-ZJUUUORDSA-N 1 0 276.427 0.282 10 0 CCAERO O=C1NCCCC[C@@H]1[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000179203010 351260845 /nfs/dbraw/zinc/26/08/45/351260845.db2.gz MVHCJWWPTIWBSP-FXJUQPSGSA-N 1 0 252.358 0.748 10 0 CCAERO O=C(CCc1nnc[nH]1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000177225053 351198913 /nfs/dbraw/zinc/19/89/13/351198913.db2.gz OBHOQRBALMVFRZ-LBPRGKRZSA-N 1 0 277.372 0.682 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC(=O)NC(C)C ZINC000177315722 351201165 /nfs/dbraw/zinc/20/11/65/351201165.db2.gz GRBYGUTXUBDTBN-LBPRGKRZSA-N 1 0 284.404 0.637 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000177486440 351205674 /nfs/dbraw/zinc/20/56/74/351205674.db2.gz NASKXFWROHBFCH-ZIAGYGMSSA-N 1 0 298.431 0.443 10 0 CCAERO CCc1nn(C)cc1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000180266694 351282633 /nfs/dbraw/zinc/28/26/33/351282633.db2.gz FICQBJUZNRWPPO-NSHDSACASA-N 1 0 280.372 0.385 10 0 CCAERO CCOC(=O)NCCCC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000186936214 351522585 /nfs/dbraw/zinc/52/25/85/351522585.db2.gz OVHKQAOCKXXLEG-TUAOUCFPSA-N 1 0 283.372 0.708 10 0 CCAERO COC(=O)c1cc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)ncn1 ZINC000603297255 363053292 /nfs/dbraw/zinc/05/32/92/363053292.db2.gz YXOAEDGSFXISHD-GHMZBOCLSA-N 1 0 276.340 0.936 10 0 CCAERO O=C(NC[C@@H](O)c1ccsc1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188607503 351611787 /nfs/dbraw/zinc/61/17/87/351611787.db2.gz WOFYVWTYZGZADM-IVZWLZJFSA-N 1 0 258.318 0.598 10 0 CCAERO C[NH+](C)C[C@H]1CN(C(=O)NC[C@H]2CCC(C)(C)O2)CCO1 ZINC000188192064 351579120 /nfs/dbraw/zinc/57/91/20/351579120.db2.gz 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C[C@H](C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)n1cncn1 ZINC000329427768 202332522 /nfs/dbraw/zinc/33/25/22/202332522.db2.gz JHKJHQCRAKFREL-UTUOFQBUSA-N 1 0 263.345 0.392 10 0 CCAERO Cc1nc([C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CCO2)no1 ZINC000329577386 202395286 /nfs/dbraw/zinc/39/52/86/202395286.db2.gz VZQAVJDGHRPQSP-QWRGUYRKSA-N 1 0 280.328 0.372 10 0 CCAERO Cc1cc(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)[nH]n1 ZINC000176888419 189013120 /nfs/dbraw/zinc/01/31/20/189013120.db2.gz IXKPPDWRXUSPKR-GFCCVEGCSA-N 1 0 294.399 0.883 10 0 CCAERO COC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)C1 ZINC000593912072 360208139 /nfs/dbraw/zinc/20/81/39/360208139.db2.gz WDQBGTONCFBDQT-AGIUHOORSA-N 1 0 280.368 0.929 10 0 CCAERO COC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@H](C)CC[NH2+]2)C1 ZINC000593912028 360208220 /nfs/dbraw/zinc/20/82/20/360208220.db2.gz SBEOPLUQUAARCG-IJLUTSLNSA-N 1 0 268.357 0.786 10 0 CCAERO CCSC1(CNC(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000595992741 360767180 /nfs/dbraw/zinc/76/71/80/360767180.db2.gz UKAFKYULJHWQRE-SNVBAGLBSA-N 1 0 258.387 0.624 10 0 CCAERO CCc1cc(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)n2ncnc2n1 ZINC000301639935 201109752 /nfs/dbraw/zinc/10/97/52/201109752.db2.gz GDUVPXPNQXTCIJ-VXGBXAGGSA-N 1 0 288.355 0.206 10 0 CCAERO O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)[C@H]1CCC[NH2+]1 ZINC000183074759 189345713 /nfs/dbraw/zinc/34/57/13/189345713.db2.gz XBXVCCRTRUFZJX-SWLSCSKDSA-N 1 0 287.363 0.940 10 0 CCAERO CCOC(=O)C1CCC([NH2+][C@@H]2CCOC[C@@H]2O)CC1 ZINC000599083804 361568063 /nfs/dbraw/zinc/56/80/63/361568063.db2.gz XOWZTHNYWKUZRP-TUUUFIMRSA-N 1 0 271.357 0.848 10 0 CCAERO CCOC(=O)C1CCC([NH2+][C@H]2CCOC[C@@H]2O)CC1 ZINC000599083806 361568790 /nfs/dbraw/zinc/56/87/90/361568790.db2.gz XOWZTHNYWKUZRP-TYUFSLCMSA-N 1 0 271.357 0.848 10 0 CCAERO COC(=O)c1cc(C[NH2+][C@@H]2CCOC[C@@H]2O)n(C)c1C ZINC000599012176 361555004 /nfs/dbraw/zinc/55/50/04/361555004.db2.gz NYQBEZACKBBGHT-OLZOCXBDSA-N 1 0 282.340 0.360 10 0 CCAERO CCC[C@H](C(=O)N1CCC[C@@]2(CNC(=O)C2)C1)[NH+](C)C ZINC000408035083 283767267 /nfs/dbraw/zinc/76/72/67/283767267.db2.gz WPSRZGIIGFWGMW-IUODEOHRSA-N 1 0 281.400 0.845 10 0 CCAERO Cc1ccn(CC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c(=O)c1 ZINC000194496847 189662531 /nfs/dbraw/zinc/66/25/31/189662531.db2.gz KNORUVLNCOCGTB-AWEZNQCLSA-N 1 0 289.379 0.853 10 0 CCAERO O=C(c1c[nH]nc1[C@@H]1CCOC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000275516773 193063336 /nfs/dbraw/zinc/06/33/36/193063336.db2.gz LSFJVUZNTWKDLK-VXGBXAGGSA-N 1 0 290.367 0.834 10 0 CCAERO NC(=O)c1ccccc1[C@@H]1CC[N@H+](CCO)CCO1 ZINC000616665285 365417686 /nfs/dbraw/zinc/41/76/86/365417686.db2.gz FWLRTVXESUYJOZ-ZDUSSCGKSA-N 1 0 264.325 0.541 10 0 CCAERO OCCN1CC[NH2+]C[C@H]1c1cnnc2ccccc21 ZINC000616635730 365395672 /nfs/dbraw/zinc/39/56/72/365395672.db2.gz LAUXAZDMPWLUID-AWEZNQCLSA-N 1 0 258.325 0.568 10 0 CCAERO CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@@H]1c1cn[nH]n1 ZINC000616636757 365396689 /nfs/dbraw/zinc/39/66/89/365396689.db2.gz ODIZHXMAPVRYRP-LLVKDONJSA-N 1 0 296.375 0.276 10 0 CCAERO [NH3+]CCN1CCOC[C@H]1c1ccc2ccnnc2c1 ZINC000616641094 365400463 /nfs/dbraw/zinc/40/04/63/365400463.db2.gz VPTVSSPEBGFHMM-AWEZNQCLSA-N 1 0 258.325 0.962 10 0 CCAERO CC(C)(C)OC(=O)NCCN1CCOC[C@H]1CC[NH3+] ZINC000616640603 365400963 /nfs/dbraw/zinc/40/09/63/365400963.db2.gz ISSCGZLLKSYUDF-LLVKDONJSA-N 1 0 273.377 0.561 10 0 CCAERO OCC[N@@H+]1CCCO[C@@H](c2ccc(CO)cc2)C1 ZINC000616597899 365378543 /nfs/dbraw/zinc/37/85/43/365378543.db2.gz HLDCDRIPPAMPDA-CQSZACIVSA-N 1 0 251.326 0.935 10 0 CCAERO NC(=O)c1ccc([C@H]2C[N@H+](CCO)CCCO2)cc1 ZINC000616598016 365378938 /nfs/dbraw/zinc/37/89/38/365378938.db2.gz KZVWPNSRWDSRRW-CYBMUJFWSA-N 1 0 264.325 0.541 10 0 CCAERO [NH3+]CCN1CCCOC[C@@H]1c1ccc(CCO)cc1 ZINC000616597353 365379677 /nfs/dbraw/zinc/37/96/77/365379677.db2.gz PNLDBNKTRHSMIO-OAHLLOKOSA-N 1 0 264.369 0.944 10 0 CCAERO NS(=O)(=O)N1CC[NH2+]C[C@H]1c1ccnc2ccccc21 ZINC000616600217 365380638 /nfs/dbraw/zinc/38/06/38/365380638.db2.gz BXBYTLBIPKFKMW-ZDUSSCGKSA-N 1 0 292.364 0.385 10 0 CCAERO COC[C@H](O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(OC)nc1 ZINC000623080963 367443838 /nfs/dbraw/zinc/44/38/38/367443838.db2.gz HXLNIBAANKXNEL-BZPMIXESSA-N 1 0 282.340 0.517 10 0 CCAERO Cc1nn(C)c2ncc(C[NH2+][C@H]3CCOC[C@@H]3O)cc12 ZINC000623765087 367649956 /nfs/dbraw/zinc/64/99/56/367649956.db2.gz NOLAWTANCFYLNF-STQMWFEESA-N 1 0 276.340 0.516 10 0 CCAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1cnn(CC(F)F)c1 ZINC000623766988 367654066 /nfs/dbraw/zinc/65/40/66/367654066.db2.gz OIBIQGYFPCNYBO-UWVGGRQHSA-N 1 0 261.272 0.388 10 0 CCAERO O[C@@H]1COCC[C@@H]1[NH2+]Cc1cnn(CC(F)F)c1 ZINC000623766989 367654220 /nfs/dbraw/zinc/65/42/20/367654220.db2.gz OIBIQGYFPCNYBO-VHSXEESVSA-N 1 0 261.272 0.388 10 0 CCAERO O[C@H]1COCC[C@H]1[NH2+]C1CCN(c2ccccn2)CC1 ZINC000624236954 367800722 /nfs/dbraw/zinc/80/07/22/367800722.db2.gz NGCROFWBJZOKSQ-KGLIPLIRSA-N 1 0 277.368 0.790 10 0 CCAERO Cn1cc(O[C@@H]2C[N@H+](CCOC3CCC3)C[C@H]2O)cn1 ZINC000625628836 368277789 /nfs/dbraw/zinc/27/77/89/368277789.db2.gz HOPCCUWHVJOIEI-ZIAGYGMSSA-N 1 0 281.356 0.413 10 0 CCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)Cn1ccc(C(F)(F)F)n1 ZINC000335501401 212180863 /nfs/dbraw/zinc/18/08/63/212180863.db2.gz SUQUKLBQRYOMKQ-HTQZYQBOSA-N 1 0 276.262 0.850 10 0 CCAERO O=C(c1ccc(F)cc1F)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000335497762 212176686 /nfs/dbraw/zinc/17/66/86/212176686.db2.gz YXOKJAFEBDLOIQ-NWDGAFQWSA-N 1 0 268.263 0.778 10 0 CCAERO O=C(N[C@@H]1CCCc2ccccc21)C(=O)N1CC[NH2+]CC1 ZINC000051633654 284040937 /nfs/dbraw/zinc/04/09/37/284040937.db2.gz MITGGBBJZOJVSV-CQSZACIVSA-N 1 0 287.363 0.612 10 0 CCAERO O=C(Cc1ccsc1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000335495346 212173885 /nfs/dbraw/zinc/17/38/85/212173885.db2.gz FYNUDZBOYVGIKT-WDEREUQCSA-N 1 0 252.339 0.490 10 0 CCAERO COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH3+] ZINC000034625513 284098933 /nfs/dbraw/zinc/09/89/33/284098933.db2.gz NBPKQJCULPQVNO-RKDXNWHRSA-N 1 0 258.318 0.744 10 0 CCAERO COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH3+] ZINC000095630478 291462279 /nfs/dbraw/zinc/46/22/79/291462279.db2.gz NBPKQJCULPQVNO-BDAKNGLRSA-N 1 0 258.318 0.744 10 0 CCAERO O=C(NCCSC(F)(F)F)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000226315638 189772485 /nfs/dbraw/zinc/77/24/85/189772485.db2.gz QIDBHJMBBYHLQJ-WDSKDSINSA-N 1 0 258.265 0.078 10 0 CCAERO CCc1noc(CN2C[C@H](OC)C[C@@]2(C)C[NH3+])n1 ZINC000630358618 370061245 /nfs/dbraw/zinc/06/12/45/370061245.db2.gz AYEAPZLJANLEGN-SKDRFNHKSA-N 1 0 254.334 0.570 10 0 CCAERO CO[C@H]1CN(CC(=O)NC2CCCCC2)[C@@](C)(C[NH3+])C1 ZINC000630359484 370062413 /nfs/dbraw/zinc/06/24/13/370062413.db2.gz FXNIGKBLLUYAFC-UKRRQHHQSA-N 1 0 283.416 0.873 10 0 CCAERO O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CCS(=O)CC1 ZINC000049692754 296153548 /nfs/dbraw/zinc/15/35/48/296153548.db2.gz UHUYICSDGJKLPX-CYBMUJFWSA-N 1 0 278.377 0.292 10 0 CCAERO CCn1nc(C)cc1C(=O)N1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630365956 370066588 /nfs/dbraw/zinc/06/65/88/370066588.db2.gz JHOSAQRPDABFOJ-FZMZJTMJSA-N 1 0 280.372 0.790 10 0 CCAERO CO[C@H]1CN(C(=O)COCC(F)(F)F)[C@@](C)(C[NH3+])C1 ZINC000630365411 370066872 /nfs/dbraw/zinc/06/68/72/370066872.db2.gz HUQZVBPVBZDTND-PSASIEDQSA-N 1 0 284.278 0.530 10 0 CCAERO CCOCCCC(=O)N1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630369146 370069647 /nfs/dbraw/zinc/06/96/47/370069647.db2.gz JKCPPWGLLQYWDU-DGCLKSJQSA-N 1 0 258.362 0.768 10 0 CCAERO CO[C@H]1CN(C(=O)CC(F)(F)F)[C@](C)(C[NH3+])C1 ZINC000630369632 370071456 /nfs/dbraw/zinc/07/14/56/370071456.db2.gz XBAWGRMIUZQVFQ-APPZFPTMSA-N 1 0 254.252 0.904 10 0 CCAERO CO[C@@H]1CN(CC2(CS(C)(=O)=O)CC2)[C@](C)(C[NH3+])C1 ZINC000630370302 370072166 /nfs/dbraw/zinc/07/21/66/370072166.db2.gz YUHUGNAYAKVJIG-RYUDHWBXSA-N 1 0 290.429 0.249 10 0 CCAERO CO[C@H](C)CCC(=O)N1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630376339 370078624 /nfs/dbraw/zinc/07/86/24/370078624.db2.gz WBWCGLLHHZTWPO-MDZLAQPJSA-N 1 0 258.362 0.766 10 0 CCAERO CCNC(=O)c1ccc(N2C[C@H](C)[C@@H](C[NH3+])C2)nn1 ZINC000630385205 370088069 /nfs/dbraw/zinc/08/80/69/370088069.db2.gz COLMDVJEZQSTNA-UWVGGRQHSA-N 1 0 263.345 0.257 10 0 CCAERO C[C@@H]1C[C@@H]([NH3+])CN1c1cnn(C)c(=O)c1Br ZINC000630558749 370170918 /nfs/dbraw/zinc/17/09/18/370170918.db2.gz MCHSGYBZRFUTSF-RNFRBKRXSA-N 1 0 287.161 0.469 10 0 CCAERO Cc1cc(C(C)C)nc(NC[C@@H]2C[NH2+]C[C@H]2O)n1 ZINC000630511274 370139246 /nfs/dbraw/zinc/13/92/46/370139246.db2.gz CMOORPIFGHAGHX-CMPLNLGQSA-N 1 0 250.346 0.323 10 0 CCAERO [NH3+]C1(CNc2ncnc3ccccc32)CCOCC1 ZINC000630523776 370144449 /nfs/dbraw/zinc/14/44/49/370144449.db2.gz CJXILVKZPATHJV-UHFFFAOYSA-N 1 0 258.325 0.972 10 0 CCAERO CCOc1nccnc1NCC1([NH3+])CCOCC1 ZINC000630524374 370144639 /nfs/dbraw/zinc/14/46/39/370144639.db2.gz MOWCGHDPTXDSHJ-UHFFFAOYSA-N 1 0 252.318 0.217 10 0 CCAERO C[NH2+]CCOCCN(C)c1nnnn1-c1ccccc1 ZINC000630530206 370149889 /nfs/dbraw/zinc/14/98/89/370149889.db2.gz HOLLPMVOWNODBY-UHFFFAOYSA-N 1 0 276.344 0.335 10 0 CCAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)C[C@H]12 ZINC000567669463 291499264 /nfs/dbraw/zinc/49/92/64/291499264.db2.gz OKSKCBIPZNGBSN-VCDKRKBESA-N 1 0 277.368 0.193 10 0 CCAERO CCCCOC[C@H](O)C[NH2+]CC1(CO)CCOCC1 ZINC000574399423 335016269 /nfs/dbraw/zinc/01/62/69/335016269.db2.gz DVULRCMNAQIFRG-CYBMUJFWSA-N 1 0 275.389 0.543 10 0 CCAERO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CNC(=O)c1ccccn1 ZINC000237423688 189875621 /nfs/dbraw/zinc/87/56/21/189875621.db2.gz YFOLHQYMGVACJW-AAEUAGOBSA-N 1 0 290.367 0.540 10 0 CCAERO CC(C)[C@H](CCO)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634750826 372196190 /nfs/dbraw/zinc/19/61/90/372196190.db2.gz FYSUZFBAMNCPSX-OBJOEFQTSA-N 1 0 254.374 0.899 10 0 CCAERO COC[C@]1(C(=O)N2CCO[C@@H](C(F)F)CC2)CCC[NH2+]1 ZINC000634752746 372201321 /nfs/dbraw/zinc/20/13/21/372201321.db2.gz RTSQBFHDIRJION-MFKMUULPSA-N 1 0 292.326 0.638 10 0 CCAERO O=C(N1C[C@H]2CC[C@@H](C1)O2)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634754613 372203208 /nfs/dbraw/zinc/20/32/08/372203208.db2.gz FZZFZAZOQGTZTF-FMSGJZPZSA-N 1 0 250.342 0.766 10 0 CCAERO Cc1c(CN2CCC([NH2+]CCO)CC2)cnn1C ZINC000635001487 372338391 /nfs/dbraw/zinc/33/83/91/372338391.db2.gz UEHUZZKVOIOYEN-UHFFFAOYSA-N 1 0 252.362 0.275 10 0 CCAERO Cc1cn2cc(NC(=O)N(C)[C@H]3C[NH2+]C[C@@H]3O)ccc2n1 ZINC000333088440 205018745 /nfs/dbraw/zinc/01/87/45/205018745.db2.gz CAVYXQBUWVQRKY-RYUDHWBXSA-N 1 0 289.339 0.439 10 0 CCAERO CN(C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)[C@@H]1CCNC1=O ZINC000333094300 205024354 /nfs/dbraw/zinc/02/43/54/205024354.db2.gz BTTWUHYYWZJHNW-CHWSQXEVSA-N 1 0 294.399 0.533 10 0 CCAERO CC(C)(CNC(=O)N[C@H]1CCCC[NH2+]C1)N1CCOCC1 ZINC000333140434 205063288 /nfs/dbraw/zinc/06/32/88/205063288.db2.gz CXQNCFWKJSZYLX-ZDUSSCGKSA-N 1 0 298.431 0.539 10 0 CCAERO CCC1(CC)[C@@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C[C@@H]1OC ZINC000333141956 205066097 /nfs/dbraw/zinc/06/60/97/205066097.db2.gz DDBUZGZCBFCFPX-CYDGBPFRSA-N 1 0 299.415 0.554 10 0 CCAERO CCC1(CC)[C@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C[C@H]1OC ZINC000333141960 205066522 /nfs/dbraw/zinc/06/65/22/205066522.db2.gz DDBUZGZCBFCFPX-WUHRBBMRSA-N 1 0 299.415 0.554 10 0 CCAERO Cc1cnn(CCNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000333162312 205081949 /nfs/dbraw/zinc/08/19/49/205081949.db2.gz GQTDOASRGGYRNM-MELADBBJSA-N 1 0 291.399 0.960 10 0 CCAERO c1cn([C@@H]2COC[C@@H]2[NH2+][C@H]2CCOC3(CCC3)C2)nn1 ZINC000333228044 205133232 /nfs/dbraw/zinc/13/32/32/205133232.db2.gz BIGNWEOYIAYWIY-RWMBFGLXSA-N 1 0 278.356 0.909 10 0 CCAERO C[C@@H]1CN(C(=O)[C@H]2COCCN2CC2CCC2)C[C@@H]1[NH3+] ZINC000333302623 205199996 /nfs/dbraw/zinc/19/99/96/205199996.db2.gz QHUDAKGZMQBMPF-KWCYVHTRSA-N 1 0 281.400 0.293 10 0 CCAERO CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)[C@H]1CCOC1 ZINC000333354925 205244580 /nfs/dbraw/zinc/24/45/80/205244580.db2.gz SJPLTZRQANITAK-OLZOCXBDSA-N 1 0 290.429 0.815 10 0 CCAERO C[C@H](C1CC1)n1cc(NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)cn1 ZINC000333400789 205290384 /nfs/dbraw/zinc/29/03/84/205290384.db2.gz YRKBLDPGVNFUCR-ICCXJUOJSA-N 1 0 293.371 0.651 10 0 CCAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCC[C@@](F)(CO)C1 ZINC000333478919 205356325 /nfs/dbraw/zinc/35/63/25/205356325.db2.gz BWEBGQJPTGISFT-YPMHNXCESA-N 1 0 273.352 0.635 10 0 CCAERO CCC1(CNC(=O)N[C@H]2CCCC[NH2+]C2)COC1 ZINC000333504642 205383034 /nfs/dbraw/zinc/38/30/34/205383034.db2.gz DRXCSNAJIVNYGE-NSHDSACASA-N 1 0 255.362 0.854 10 0 CCAERO O=C(N[C@@H]1CCO[C@@H]1C1CC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000333516207 205394985 /nfs/dbraw/zinc/39/49/85/205394985.db2.gz GDRRHMIEWQXTMP-REWJHTLYSA-N 1 0 279.384 0.947 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000333794247 205709784 /nfs/dbraw/zinc/70/97/84/205709784.db2.gz GQTBZCYZBDMKLX-GXFFZTMASA-N 1 0 294.399 0.437 10 0 CCAERO O=C(CCNC(=O)N[C@@H]1CCCC[NH2+]C1)N1CCCCC1 ZINC000333946614 205857374 /nfs/dbraw/zinc/85/73/74/205857374.db2.gz UVGPIOVXQYJZPC-CYBMUJFWSA-N 1 0 296.415 0.830 10 0 CCAERO CC(=O)N[C@H](CC(C)C)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000637815744 374349967 /nfs/dbraw/zinc/34/99/67/374349967.db2.gz VSRPZLVXVVPIQZ-QNMSZWNNSA-N 1 0 281.400 0.936 10 0 CCAERO C[C@H](NC(=O)[C@@]1(C[NH3+])CCCOC1)[C@@H]1CCCO1 ZINC000637929015 374481027 /nfs/dbraw/zinc/48/10/27/374481027.db2.gz HDFNKTJNDKBHHX-GMXVVIOVSA-N 1 0 256.346 0.426 10 0 CCAERO C[C@H](O)CCNC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637910214 374470090 /nfs/dbraw/zinc/47/00/90/374470090.db2.gz MFUWHOPNLRJDOV-GXTWGEPZSA-N 1 0 279.384 0.333 10 0 CCAERO COC[C@]1(C(=O)NC[C@H]2CCCC[C@@H]2O)CCCC[NH2+]1 ZINC000638012476 374556737 /nfs/dbraw/zinc/55/67/37/374556737.db2.gz XGCTVWWWLNVVBH-IPYPFGDCSA-N 1 0 284.400 0.812 10 0 CCAERO COC[C@@]1(C(=O)N2CCn3ccnc3C2)CCCC[NH2+]1 ZINC000638096999 374659513 /nfs/dbraw/zinc/65/95/13/374659513.db2.gz PSOBBPDNCZCCDG-CQSZACIVSA-N 1 0 278.356 0.384 10 0 CCAERO CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000638205628 374791904 /nfs/dbraw/zinc/79/19/04/374791904.db2.gz JLZUBIZKAKLRON-DRZSPHRISA-N 1 0 269.389 0.794 10 0 CCAERO CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000638205634 374792724 /nfs/dbraw/zinc/79/27/24/374792724.db2.gz 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CCC[C@@H](C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)[NH+](C)C ZINC000162302102 389417155 /nfs/dbraw/zinc/41/71/55/389417155.db2.gz MEXDWEPOHHLENL-CABCVRRESA-N 1 0 297.443 0.897 10 0 CCAERO C[C@H](NC(=O)N[C@H]1CCCC[NH2+]C1)c1ccn(C)n1 ZINC000333526656 389417625 /nfs/dbraw/zinc/41/76/25/389417625.db2.gz HIOPDDKXYAXZPV-QWRGUYRKSA-N 1 0 265.361 0.922 10 0 CCAERO C[C@H](CNC(=O)N[C@H]1CCCC[NH2+]C1)CN1CCOCC1 ZINC000333527310 389417950 /nfs/dbraw/zinc/41/79/50/389417950.db2.gz HKPKLINQEHQDPB-KGLIPLIRSA-N 1 0 298.431 0.396 10 0 CCAERO CN1CCO[C@H]2CCN(C(=O)NCCOCC3CC3)C[C@@H]21 ZINC000332760767 389366593 /nfs/dbraw/zinc/36/65/93/389366593.db2.gz QYZFSDWMLIYRGR-KBPBESRZSA-N 1 0 297.399 0.528 10 0 CCAERO CC(=O)N1CCN(C[C@H]2CCC[NH2+]C2)C(C)(C)C1 ZINC000334318309 389466166 /nfs/dbraw/zinc/46/61/66/389466166.db2.gz WGASQBMEKSPMST-ZDUSSCGKSA-N 1 0 253.390 0.929 10 0 CCAERO CCC[C@@H](C(=O)NC[C@@H]1CN(C)CCO1)[NH+](C)C ZINC000162514305 389419798 /nfs/dbraw/zinc/41/97/98/389419798.db2.gz UKWNWVWKUUTVBA-NEPJUHHUSA-N 1 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0.361 10 0 CCAERO CO[C@H](C)CS(=O)(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000375581631 389688119 /nfs/dbraw/zinc/68/81/19/389688119.db2.gz IAVXZOCQOMGQGW-NEPJUHHUSA-N 1 0 290.429 0.958 10 0 CCAERO CCc1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc(=O)[nH]1 ZINC000181626191 389689967 /nfs/dbraw/zinc/68/99/67/389689967.db2.gz LKGHESJZYVADIK-GFCCVEGCSA-N 1 0 263.341 0.713 10 0 CCAERO COCCN(C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1CCCO ZINC000388888171 389770914 /nfs/dbraw/zinc/77/09/14/389770914.db2.gz SQKLFXVTKFPQNO-ZIAGYGMSSA-N 1 0 274.405 0.162 10 0 CCAERO COC(=O)[C@](C)(O)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398718133 389784440 /nfs/dbraw/zinc/78/44/40/389784440.db2.gz XTFBOELAJWBWTF-MRBYEJRBSA-N 1 0 257.330 0.003 10 0 CCAERO COC[C@H](C)OC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000399096309 389788012 /nfs/dbraw/zinc/78/80/12/389788012.db2.gz YLOYHABZKHAKHE-BTFPBAQTSA-N 1 0 287.400 0.492 10 0 CCAERO CCCNC(=O)NC(=O)C[N@@H+]1C[C@H](O)CC[C@H]1C ZINC000399212526 389789763 /nfs/dbraw/zinc/78/97/63/389789763.db2.gz RQBGOJBJGOFFGJ-NXEZZACHSA-N 1 0 257.334 0.067 10 0 CCAERO C[C@H]1CC[C@H](O)C[N@@H+]1CCn1nc2ccccn2c1=O ZINC000399393396 389791095 /nfs/dbraw/zinc/79/10/95/389791095.db2.gz DLPCRSZIOJHKRA-RYUDHWBXSA-N 1 0 276.340 0.341 10 0 CCAERO Cc1noc(CN2C[C@H](N3CCOCC3)[C@@H](C)C2)n1 ZINC000407947744 389814905 /nfs/dbraw/zinc/81/49/05/389814905.db2.gz JBNDYVZSCHHTNI-JQWIXIFHSA-N 1 0 266.345 0.531 10 0 CCAERO CC[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000408016069 389819820 /nfs/dbraw/zinc/81/98/20/389819820.db2.gz HPRGLUSDYAEVOL-NEPJUHHUSA-N 1 0 267.373 0.585 10 0 CCAERO Cc1[nH]nc(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)c1C ZINC000408041936 389821784 /nfs/dbraw/zinc/82/17/84/389821784.db2.gz PCKVYZYUPVCABP-VXGBXAGGSA-N 1 0 278.356 0.572 10 0 CCAERO C[C@@H]1CC[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)O1 ZINC000408123601 389828173 /nfs/dbraw/zinc/82/81/73/389828173.db2.gz HZMPDJJFLUNZEO-LPWJVIDDSA-N 1 0 270.373 0.467 10 0 CCAERO Cn1cnc2cc(C(=O)N3CC[NH2+]C(C)(C)C3)cnc21 ZINC000408150982 389829460 /nfs/dbraw/zinc/82/94/60/389829460.db2.gz ODZAFCDSBBIRPT-UHFFFAOYSA-N 1 0 273.340 0.792 10 0 CCAERO C[C@@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)[C@H]1CCOC1 ZINC000408212694 389835778 /nfs/dbraw/zinc/83/57/78/389835778.db2.gz YSUDOVKUQKNLCX-RQJABVFESA-N 1 0 299.415 0.508 10 0 CCAERO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1CCc2ncnn2C1 ZINC000408268528 389838836 /nfs/dbraw/zinc/83/88/36/389838836.db2.gz BENXZPABMBEWQS-UTUOFQBUSA-N 1 0 277.372 0.582 10 0 CCAERO O[C@@H]1C[NH2+]C[C@H]1CNc1ccncc1Br ZINC000420233918 389969595 /nfs/dbraw/zinc/96/95/95/389969595.db2.gz CBGWRWDFSKKLAZ-OIBJUYFYSA-N 1 0 272.146 0.258 10 0 CCAERO CN(Cc1ccccc1)C(=O)CN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000420409578 389997869 /nfs/dbraw/zinc/99/78/69/389997869.db2.gz YNSHQSOJMUGMLI-LSDHHAIUSA-N 1 0 289.379 0.318 10 0 CCAERO Cc1cc2ncc(C(=O)N3CC[C@H]([NH3+])[C@H]3C)c(C)n2n1 ZINC000644148472 390147577 /nfs/dbraw/zinc/14/75/77/390147577.db2.gz WSNCOXCBMJGJCB-PWSUYJOCSA-N 1 0 273.340 0.908 10 0 CCAERO Cc1cc2ncc(C(=O)N3CC[C@@H]([NH3+])[C@H]3C)c(C)n2n1 ZINC000644148473 390147593 /nfs/dbraw/zinc/14/75/93/390147593.db2.gz WSNCOXCBMJGJCB-ZYHUDNBSSA-N 1 0 273.340 0.908 10 0 CCAERO CN(CCCCS(C)(=O)=O)[C@@H]1CCC[NH2+]CC1 ZINC000647912793 390216818 /nfs/dbraw/zinc/21/68/18/390216818.db2.gz BQEYKPRFFSYBTM-GFCCVEGCSA-N 1 0 262.419 0.885 10 0 CCAERO COc1cc(-c2noc([C@@H]3C[NH2+]CCOC3)n2)ncn1 ZINC000644513244 390240989 /nfs/dbraw/zinc/24/09/89/390240989.db2.gz VPFFABSQEQOJJG-MRVPVSSYSA-N 1 0 277.284 0.239 10 0 CCAERO C[C@H](O)C1CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000648055038 390267001 /nfs/dbraw/zinc/26/70/01/390267001.db2.gz IODHEAFVDVTJQB-ONGXEEELSA-N 1 0 276.327 0.851 10 0 CCAERO C[C@@H](CS(C)(=O)=O)N(C)C(=O)C1CCC([NH3+])CC1 ZINC000648081529 390273439 /nfs/dbraw/zinc/27/34/39/390273439.db2.gz VEJBELAKFFEGQY-WHXUTIOJSA-N 1 0 276.402 0.395 10 0 CCAERO Cc1cnn(CCNC(=O)[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000648152916 390314320 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[NH3+]C[C@H]1CCC[C@H]1C(=O)NCCN1CCCC1=O ZINC000405416301 411801235 /nfs/dbraw/zinc/80/12/35/411801235.db2.gz AYLFEBKCQZJSNM-GHMZBOCLSA-N 1 0 253.346 0.100 10 0 CCAERO CCOC(=O)C(=O)N1CC[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000616570673 411841370 /nfs/dbraw/zinc/84/13/70/411841370.db2.gz NVDRJHRLJQECLI-QWHCGFSZSA-N 1 0 276.336 0.893 10 0 CCAERO CO[C@H](C[N@@H+]1C[C@H](O)C[C@@H]1CO)c1ccccc1 ZINC000284492083 196068762 /nfs/dbraw/zinc/06/87/62/196068762.db2.gz UMATZHZEGNBOHJ-MGPQQGTHSA-N 1 0 251.326 0.802 10 0 CCAERO CC(C)(C)OC(=O)N1CCN(C(=O)CCC[NH3+])CC1 ZINC000019976438 170957103 /nfs/dbraw/zinc/95/71/03/170957103.db2.gz MBMZCBYKNSYWPA-UHFFFAOYSA-N 1 0 271.361 0.805 10 0 CCAERO Cc1nccn1CCC[N@@H+]1CC[C@@H]2OCCN[C@@H]2C1 ZINC000652341653 412031796 /nfs/dbraw/zinc/03/17/96/412031796.db2.gz BSRKIWNWPZLLAL-KGLIPLIRSA-N 1 0 264.373 0.644 10 0 CCAERO COc1cc(C)c(C)cc1S(=O)(=O)NCCC[NH3+] ZINC000020224152 171086881 /nfs/dbraw/zinc/08/68/81/171086881.db2.gz LPSYMYJMJMVVNG-UHFFFAOYSA-N 1 0 272.370 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/nfs/dbraw/zinc/25/07/98/412250798.db2.gz VPFINJYQPYTNEP-FNCVBFRFSA-N 1 0 266.263 0.678 10 0 CCAERO CC[NH2+][C@H](C)c1cccc(OCC(=O)NC(N)=O)c1 ZINC000034822346 171875830 /nfs/dbraw/zinc/87/58/30/171875830.db2.gz GICXVGIIJWLYTA-SECBINFHSA-N 1 0 265.313 0.931 10 0 CCAERO CCCNC(=O)C[NH2+][C@@H](C)C(=O)NC(C)(C)CC ZINC000035207109 172051800 /nfs/dbraw/zinc/05/18/00/172051800.db2.gz IIIRHASXOIGOQY-JTQLQIEISA-N 1 0 257.378 0.796 10 0 CCAERO NC(=O)c1ccc(N[C@@H]2C[NH+]3CCC2CC3)c(N)c1 ZINC000035330795 172130063 /nfs/dbraw/zinc/13/00/63/172130063.db2.gz VPGUXONQPHZSDG-CYBMUJFWSA-N 1 0 260.341 0.874 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccccc1NN ZINC000035354621 172145508 /nfs/dbraw/zinc/14/55/08/172145508.db2.gz RFVRGTDWYQFYBP-NSHDSACASA-N 1 0 298.412 0.735 10 0 CCAERO C[NH2+]Cc1c(N(C)CC(N)=O)nc2sccn21 ZINC000035430321 172199077 /nfs/dbraw/zinc/19/90/77/172199077.db2.gz SQHQLYLEEKLAOG-UHFFFAOYSA-N 1 0 253.331 0.037 10 0 CCAERO C[C@H](NC(=O)C(=O)N1CCC[NH2+]CC1)c1ccco1 ZINC000035739819 172394032 /nfs/dbraw/zinc/39/40/32/172394032.db2.gz QRRLZZHLQHCLPJ-JTQLQIEISA-N 1 0 265.313 0.279 10 0 CCAERO CS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000036286923 172582196 /nfs/dbraw/zinc/58/21/96/172582196.db2.gz XFULABSLKGNCAR-SNVBAGLBSA-N 1 0 268.338 0.182 10 0 CCAERO CC(C)C[C@H]([NH3+])CNS(=O)(=O)c1cccnc1 ZINC000036298723 172592153 /nfs/dbraw/zinc/59/21/53/172592153.db2.gz IOJLYGBHEAYTSG-JTQLQIEISA-N 1 0 257.359 0.733 10 0 CCAERO NS(=O)(=O)CC[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000036745492 172672855 /nfs/dbraw/zinc/67/28/55/172672855.db2.gz FIVZBTHEZKKZPJ-UHFFFAOYSA-N 1 0 280.296 0.666 10 0 CCAERO CCN(CC(=O)n1oc(C)cc1=O)C1CC[NH2+]CC1 ZINC000037538136 173257974 /nfs/dbraw/zinc/25/79/74/173257974.db2.gz IWNTUKBRJMRJHM-UHFFFAOYSA-N 1 0 267.329 0.464 10 0 CCAERO CC[C@H]([NH3+])C(=O)N(C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000037820556 173772779 /nfs/dbraw/zinc/77/27/79/173772779.db2.gz CHAYVFLUWZDEKH-AVGNSLFASA-N 1 0 270.373 0.910 10 0 CCAERO NC(=O)NC[C@H]1CCCN(C(=O)CCCCC[NH3+])C1 ZINC000037820879 173773756 /nfs/dbraw/zinc/77/37/56/173773756.db2.gz STDNBTLBZKKKSZ-LLVKDONJSA-N 1 0 270.377 0.412 10 0 CCAERO NC(=O)NC[C@@H]1CCCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000037820976 173773807 /nfs/dbraw/zinc/77/38/07/173773807.db2.gz RMBRVWVTGCTCKL-JTQLQIEISA-N 1 0 268.361 0.035 10 0 CCAERO CC(C)[NH+]1CCC(NCC(F)(F)F)(C(N)=O)CC1 ZINC000037971368 173922531 /nfs/dbraw/zinc/92/25/31/173922531.db2.gz DFOOZKQUNANFNQ-UHFFFAOYSA-N 1 0 267.295 0.867 10 0 CCAERO O=C([C@H]1CCCN1C1CC[NH2+]CC1)N1CCC[C@@H](CO)C1 ZINC000038043248 174050290 /nfs/dbraw/zinc/05/02/90/174050290.db2.gz IIPCZTPPIOBTOX-UKRRQHHQSA-N 1 0 295.427 0.434 10 0 CCAERO C[C@H]([NH2+]CCCS(C)(=O)=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000038047437 174057783 /nfs/dbraw/zinc/05/77/83/174057783.db2.gz ANABHEIMGQGJBC-VIFPVBQESA-N 1 0 297.380 0.942 10 0 CCAERO C[C@@H]([NH2+]CCCS(C)(=O)=O)C(=O)N1CCCCC1 ZINC000038048148 174059039 /nfs/dbraw/zinc/05/90/39/174059039.db2.gz WZHLUICIFLIPGR-LLVKDONJSA-N 1 0 276.402 0.412 10 0 CCAERO Cc1cc(CS(=O)(=O)N[C@H]2CCCC[C@@H]2[NH3+])no1 ZINC000038050413 174061893 /nfs/dbraw/zinc/06/18/93/174061893.db2.gz YLNYWQSWUFYRLI-QWRGUYRKSA-N 1 0 273.358 0.672 10 0 CCAERO Oc1ccc2c(c1)OC[C@@H]2[NH2+]C[C@H]1COCCO1 ZINC000038060498 174070968 /nfs/dbraw/zinc/07/09/68/174070968.db2.gz IGPZTWVVHFIBFW-JQWIXIFHSA-N 1 0 251.282 0.831 10 0 CCAERO CC(C)(C)[NH2+]CCC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000038083741 174093569 /nfs/dbraw/zinc/09/35/69/174093569.db2.gz RUJHJEQJBMNYRT-SNVBAGLBSA-N 1 0 276.402 0.316 10 0 CCAERO C[NH2+]Cc1cccc(O[C@H]2CCS(=O)(=O)C2)c1 ZINC000038084511 174094310 /nfs/dbraw/zinc/09/43/10/174094310.db2.gz HFXHCMQRBAAEFJ-LBPRGKRZSA-N 1 0 255.339 0.972 10 0 CCAERO C[C@@H]([NH2+]C1CCC(C(N)=O)CC1)C(=O)NC(C)(C)C ZINC000038092029 174105699 /nfs/dbraw/zinc/10/56/99/174105699.db2.gz VKCKDRJJYVBSHO-KPPDAEKUSA-N 1 0 269.389 0.923 10 0 CCAERO CCN(CC)C(=O)[C@@H](C)[NH2+]C1CCC(C(N)=O)CC1 ZINC000038091941 174105708 /nfs/dbraw/zinc/10/57/08/174105708.db2.gz NWPSIRDNLHPPDH-VOMCLLRMSA-N 1 0 269.389 0.877 10 0 CCAERO CCCN(CC(=O)N(C)C)C(=O)[C@H]([NH3+])[C@H](C)CC ZINC000038101113 174116386 /nfs/dbraw/zinc/11/63/86/174116386.db2.gz SMUDGCJIJUYFQS-ZYHUDNBSSA-N 1 0 257.378 0.687 10 0 CCAERO CC[NH+](CC)CCN1CCC(=O)[C@H](C(=O)OC)C1 ZINC000038920010 174159526 /nfs/dbraw/zinc/15/95/26/174159526.db2.gz HNHAFNBOOORIAJ-LLVKDONJSA-N 1 0 256.346 0.392 10 0 CCAERO Nc1ccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000040320389 174234682 /nfs/dbraw/zinc/23/46/82/174234682.db2.gz ZCLCWBLSPVXLGW-GFCCVEGCSA-N 1 0 281.381 0.738 10 0 CCAERO CN(C)[C@H](CNC(=O)[C@@H]1CCC[NH2+]1)c1ccco1 ZINC000040430434 174259967 /nfs/dbraw/zinc/25/99/67/174259967.db2.gz DIKKJIPIMWMJDW-WDEREUQCSA-N 1 0 251.330 0.751 10 0 CCAERO CCCCNc1nc[nH+]c(NN2CCN(C)CC2)c1N ZINC000040706499 174379802 /nfs/dbraw/zinc/37/98/02/174379802.db2.gz YRFCKANDGHMNOD-UHFFFAOYSA-N 1 0 279.392 0.845 10 0 CCAERO FC1(F)C[C@@H]1OCCN1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000662285463 414706008 /nfs/dbraw/zinc/70/60/08/414706008.db2.gz KBQUURRYHUEGAE-MXWKQRLJSA-N 1 0 262.300 0.473 10 0 CCAERO Cn1ncc(Cl)c1C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000662424845 414717369 /nfs/dbraw/zinc/71/73/69/414717369.db2.gz YQFBGIOFICSZGR-VXNVDRBHSA-N 1 0 256.737 0.931 10 0 CCAERO CO[C@H](C(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1)C1CCC1 ZINC000662780866 414789719 /nfs/dbraw/zinc/78/97/19/414789719.db2.gz RZQYLXHCDOIPGU-UPJWGTAASA-N 1 0 268.357 0.391 10 0 CCAERO CN1C[C@@H](CNC(=O)c2cc3c(s2)CC[NH2+]C3)CC1=O ZINC000662694170 414742191 /nfs/dbraw/zinc/74/21/91/414742191.db2.gz NZCAIJVRBVNGFE-SECBINFHSA-N 1 0 293.392 0.602 10 0 CCAERO CN1C[C@@H](CNC(=O)[C@]2(C)CCCC[NH2+]2)CC1=O ZINC000662695042 414742616 /nfs/dbraw/zinc/74/26/16/414742616.db2.gz WREWYHMOTOYAQJ-MFKMUULPSA-N 1 0 253.346 0.113 10 0 CCAERO CCC[C@@H]([NH3+])C(=O)NCC1(S(=O)(=O)CC)CC1 ZINC000662707327 414744411 /nfs/dbraw/zinc/74/44/11/414744411.db2.gz JDYYRTTVTGLEBS-SECBINFHSA-N 1 0 262.375 0.197 10 0 CCAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CC[C@@H]2COC[C@H]2C1 ZINC000662710771 414744901 /nfs/dbraw/zinc/74/49/01/414744901.db2.gz JKPLAYWGXLWGIR-YNEHKIRRSA-N 1 0 252.358 0.871 10 0 CCAERO Cn1ncc(Cl)c1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000662830267 414823188 /nfs/dbraw/zinc/82/31/88/414823188.db2.gz CJSHUNWTNJZYGM-YFKPBYRVSA-N 1 0 270.642 0.693 10 0 CCAERO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2COCCN2)C1 ZINC000662844798 414836771 /nfs/dbraw/zinc/83/67/71/414836771.db2.gz BFCFPUIWMXLYCN-NWDGAFQWSA-N 1 0 269.389 0.211 10 0 CCAERO C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662975718 414930038 /nfs/dbraw/zinc/93/00/38/414930038.db2.gz BBMMBTAHFOVYEK-SFYZADRCSA-N 1 0 297.321 0.885 10 0 CCAERO COCc1cc(C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)no1 ZINC000662979449 414932400 /nfs/dbraw/zinc/93/24/00/414932400.db2.gz BHNMBKYUWUMWAV-QMMMGPOBSA-N 1 0 281.234 0.783 10 0 CCAERO CCCN(CC(=O)N(C)C)C(=O)C[C@@H]1CCCC[NH2+]1 ZINC000042425212 174724711 /nfs/dbraw/zinc/72/47/11/174724711.db2.gz UUXQHXFKJCEGJH-LBPRGKRZSA-N 1 0 269.389 0.845 10 0 CCAERO CC(C)N(C)S(=O)(=O)N1[C@H](C)C[C@@H]2C[NH2+]C[C@@H]21 ZINC000042520546 174771614 /nfs/dbraw/zinc/77/16/14/174771614.db2.gz OMCMZUVORLZRPR-MXWKQRLJSA-N 1 0 261.391 0.254 10 0 CCAERO O=S(=O)(C[C@@H]1CCC[NH2+]C1)NC[C@@H]1CCCCO1 ZINC000042825888 174888609 /nfs/dbraw/zinc/88/86/09/174888609.db2.gz YLTIESUUXBXCMQ-NEPJUHHUSA-N 1 0 276.402 0.475 10 0 CCAERO [NH3+]CCCCS(=O)(=O)NCCOc1ccccc1 ZINC000042896946 174903993 /nfs/dbraw/zinc/90/39/93/174903993.db2.gz DEVNZFBBCPDPMQ-UHFFFAOYSA-N 1 0 272.370 0.724 10 0 CCAERO [NH3+]CC1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000044514827 175189202 /nfs/dbraw/zinc/18/92/02/175189202.db2.gz LVUNPZJIXCWRDN-UHFFFAOYSA-N 1 0 258.329 0.837 10 0 CCAERO Cc1ccccc1CS(=O)(=O)CCOCC[NH3+] ZINC000058255536 175614096 /nfs/dbraw/zinc/61/40/96/175614096.db2.gz QFMVHYXHVOZQER-UHFFFAOYSA-N 1 0 257.355 0.885 10 0 CCAERO C[NH2+]C[C@H]1CCN(CC(=O)N[C@@H](C)c2ccco2)C1 ZINC000071147515 176043310 /nfs/dbraw/zinc/04/33/10/176043310.db2.gz DQFBEIZBPHYZTK-NWDGAFQWSA-N 1 0 265.357 0.998 10 0 CCAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cc(N)cn1C ZINC000071187623 176060628 /nfs/dbraw/zinc/06/06/28/176060628.db2.gz GLFJTIOFWSITIF-JTQLQIEISA-N 1 0 250.346 0.631 10 0 CCAERO CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)c1ccccc1N ZINC000071188154 176062684 /nfs/dbraw/zinc/06/26/84/176062684.db2.gz LUGNQDGLNPWBBQ-NSHDSACASA-N 1 0 283.397 0.841 10 0 CCAERO CCN(CCOC)S(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000071242848 176094395 /nfs/dbraw/zinc/09/43/95/176094395.db2.gz BCUJYHRYKAXZIN-UHFFFAOYSA-N 1 0 290.360 0.941 10 0 CCAERO CN(C)S(=O)(=O)c1ccc(N(C)[C@H]2CC[NH2+]C2)cc1 ZINC000071311836 176118946 /nfs/dbraw/zinc/11/89/46/176118946.db2.gz WGFKAOHBFTUPAA-LBPRGKRZSA-N 1 0 283.397 0.735 10 0 CCAERO NC(=O)[C@@H]1CCC[N@H+](CCCn2ccc(N)n2)C1 ZINC000071351906 176134883 /nfs/dbraw/zinc/13/48/83/176134883.db2.gz JBDQRKYVQFAOCM-SNVBAGLBSA-N 1 0 251.334 0.053 10 0 CCAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCn1ccc(N)n1 ZINC000071378107 176142651 /nfs/dbraw/zinc/14/26/51/176142651.db2.gz DJVQGSVEJWRBEX-NXEZZACHSA-N 1 0 251.334 0.051 10 0 CCAERO CC[C@@H](C)[NH+]1CCN(CCn2ccc(N)n2)CC1 ZINC000071378255 176142704 /nfs/dbraw/zinc/14/27/04/176142704.db2.gz RQMDAKRXELYGKB-GFCCVEGCSA-N 1 0 251.378 0.881 10 0 CCAERO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCn1ccc(N)n1 ZINC000071377907 176142759 /nfs/dbraw/zinc/14/27/59/176142759.db2.gz HFGHCRPGPFJCTQ-JTQLQIEISA-N 1 0 251.334 0.018 10 0 CCAERO COc1ccc(Cn2nnnc2CC[NH3+])cc1OC ZINC000076361300 177001806 /nfs/dbraw/zinc/00/18/06/177001806.db2.gz LJYZDMJSMQTRAB-UHFFFAOYSA-N 1 0 263.301 0.240 10 0 CCAERO C[NH2+]CCS(=O)(=O)N(C)c1ccc(C(C)=O)cc1 ZINC000076407563 177019463 /nfs/dbraw/zinc/01/94/63/177019463.db2.gz REAGNNUPLHWXSU-UHFFFAOYSA-N 1 0 270.354 0.875 10 0 CCAERO CCC[C@@H](CC[NH3+])C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000076675157 177055606 /nfs/dbraw/zinc/05/56/06/177055606.db2.gz QZYLMDUBKNFKAW-UWVGGRQHSA-N 1 0 262.375 0.055 10 0 CCAERO C[C@@H](CCC[NH3+])C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000076675222 177055762 /nfs/dbraw/zinc/05/57/62/177055762.db2.gz XULAMXUZPFGNHK-VHSXEESVSA-N 1 0 262.375 0.007 10 0 CCAERO CC[N@H+](C)CCNC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000077574493 177282289 /nfs/dbraw/zinc/28/22/89/177282289.db2.gz IXZFPARFUOKZKB-LBPRGKRZSA-N 1 0 284.404 0.638 10 0 CCAERO C[C@@H]1CCCN(c2ccc(S(N)(=O)=O)cn2)[C@@H]1C[NH3+] ZINC000070178375 287360818 /nfs/dbraw/zinc/36/08/18/287360818.db2.gz INCOOOIYBHCNKW-MWLCHTKSSA-N 1 0 284.385 0.293 10 0 CCAERO C[NH2+][C@H](C)c1ccc(-n2cc(S(C)(=O)=O)cn2)cn1 ZINC000725250499 545875475 /nfs/dbraw/zinc/87/54/75/545875475.db2.gz HAFUMMSHEHSQHT-SECBINFHSA-N 1 0 280.353 0.951 10 0 CCAERO C[NH2+][C@@H]1CCCC[C@H]1n1cc(S(C)(=O)=O)cn1 ZINC000725251621 545876650 /nfs/dbraw/zinc/87/66/50/545876650.db2.gz CQODTAOLIREHAH-GHMZBOCLSA-N 1 0 257.359 0.990 10 0 CCAERO CC(C)C[NH2+]C[C@@H](O)CCn1cc(S(C)(=O)=O)cn1 ZINC000725253381 545878620 /nfs/dbraw/zinc/87/86/20/545878620.db2.gz UKPPPIJADXKFOD-NSHDSACASA-N 1 0 289.401 0.283 10 0 CCAERO CC[C@@](C)(O)C[N@@H+]1CCCN(CCOC)C(=O)C1 ZINC000190761967 287393300 /nfs/dbraw/zinc/39/33/00/287393300.db2.gz CIHCAEKKTUGZOZ-CYBMUJFWSA-N 1 0 258.362 0.328 10 0 CCAERO O=C1C[C@H](N2CC[NH2+]CC2)C[C@@H](C(F)(F)F)N1 ZINC000725263181 545883526 /nfs/dbraw/zinc/88/35/26/545883526.db2.gz SZJLYTMPQCQZOL-SFYZADRCSA-N 1 0 251.252 0.101 10 0 CCAERO O=C1C[C@H]([N@@H+]2CCC[C@H](CO)C2)C[C@H](C(F)(F)F)N1 ZINC000725263214 545883595 /nfs/dbraw/zinc/88/35/95/545883595.db2.gz XDSYFIITQPAQTN-IVZWLZJFSA-N 1 0 280.290 0.900 10 0 CCAERO COCCN1CC[NH+](C[C@H]2C[C@@]2(CO)C(C)C)CC1 ZINC000725267116 545885791 /nfs/dbraw/zinc/88/57/91/545885791.db2.gz OBCMPBCZMYEXIR-HUUCEWRRSA-N 1 0 270.417 0.905 10 0 CCAERO CCOC(=O)c1nn(C(C)C)c(N)c1C1C[NH2+]C1 ZINC000725265458 545885805 /nfs/dbraw/zinc/88/58/05/545885805.db2.gz FPFLVIWCGYXDLO-UHFFFAOYSA-N 1 0 252.318 0.910 10 0 CCAERO CCCC[NH2+]CC[C@@H](CO)[C@H]1CCS(=O)(=O)C1 ZINC000725266873 545886789 /nfs/dbraw/zinc/88/67/89/545886789.db2.gz KRENMYHRBXIQLU-RYUDHWBXSA-N 1 0 263.403 0.809 10 0 CCAERO CCCN1CC[C@@H]([NH3+])C12C[C@H]1CC[C@@H](C2)S1(=O)=O ZINC000725266029 545886241 /nfs/dbraw/zinc/88/62/41/545886241.db2.gz OAWGJINEDRVKCX-DAAZQVBGSA-N 1 0 272.414 0.908 10 0 CCAERO CCCC[NH2+]CC[C@H](CO)[C@H]1CCS(=O)(=O)C1 ZINC000725266871 545887047 /nfs/dbraw/zinc/88/70/47/545887047.db2.gz KRENMYHRBXIQLU-NEPJUHHUSA-N 1 0 263.403 0.809 10 0 CCAERO CC(C)S(=O)(=O)N1CCC2(CC1)OCC[C@H]2[NH3+] ZINC000725269061 545887083 /nfs/dbraw/zinc/88/70/83/545887083.db2.gz CHKXWEIDTNJYRJ-SNVBAGLBSA-N 1 0 262.375 0.307 10 0 CCAERO CCCS(=O)(=O)N1CCC2(CC1)C[NH2+]C[C@@H](C)O2 ZINC000725272775 545888632 /nfs/dbraw/zinc/88/86/32/545888632.db2.gz VCVPFHWVKNXRQG-LLVKDONJSA-N 1 0 276.402 0.569 10 0 CCAERO O=C(CCCCN1CCOCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171810614 335081080 /nfs/dbraw/zinc/08/10/80/335081080.db2.gz IRDRTXLFRIKWRJ-OAHLLOKOSA-N 1 0 295.427 0.796 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(N)nc1 ZINC000094466889 544544332 /nfs/dbraw/zinc/54/43/32/544544332.db2.gz TUKHHKRKSXRDHS-CMPLNLGQSA-N 1 0 260.341 0.973 10 0 CCAERO CCN(CC(=O)N(C)C)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089451127 544513022 /nfs/dbraw/zinc/51/30/22/544513022.db2.gz LDVVAVAJBYYTAG-QWRGUYRKSA-N 1 0 255.362 0.298 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC000089453917 544513265 /nfs/dbraw/zinc/51/32/65/544513265.db2.gz XCLAKMJGTNQUKT-JSGCOSHPSA-N 1 0 293.411 0.879 10 0 CCAERO CCC(=O)N1CCCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089458389 544514802 /nfs/dbraw/zinc/51/48/02/544514802.db2.gz JKWZWKDXBMQMOW-STQMWFEESA-N 1 0 281.400 0.832 10 0 CCAERO C[C@H](NC(=O)c1cn(CC[NH3+])nn1)C1CCCC1 ZINC000089709294 544516849 /nfs/dbraw/zinc/51/68/49/544516849.db2.gz BOWVTWXCVCJZDZ-VIFPVBQESA-N 1 0 251.334 0.545 10 0 CCAERO CCc1cc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])n(C)n1 ZINC000090125134 544519237 /nfs/dbraw/zinc/51/92/37/544519237.db2.gz OKGHIIKWGOUJTP-GXSJLCMTSA-N 1 0 250.346 0.840 10 0 CCAERO NC(=O)c1cc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)ccc1F ZINC000091547159 544527789 /nfs/dbraw/zinc/52/77/89/544527789.db2.gz TZTCRKNTOSMDAN-SFYZADRCSA-N 1 0 265.288 0.991 10 0 CCAERO COCC[NH2+]C[C@@H](O)CS(=O)(=O)c1ccccc1 ZINC000126471010 544596738 /nfs/dbraw/zinc/59/67/38/544596738.db2.gz TYBAWOPCZSUZQU-LLVKDONJSA-N 1 0 273.354 0.057 10 0 CCAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C(=O)NC(C)(C)C ZINC000135363901 544635143 /nfs/dbraw/zinc/63/51/43/544635143.db2.gz BQLNLRJBHMCUOT-HBNTYKKESA-N 1 0 269.389 0.781 10 0 CCAERO C[C@@H]1OCC[C@H]1NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000149747455 544648777 /nfs/dbraw/zinc/64/87/77/544648777.db2.gz FEIRCMWSWYQRSI-XKSSXDPKSA-N 1 0 266.263 0.822 10 0 CCAERO CC(=O)NC1CCN(C(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000136183295 544638200 /nfs/dbraw/zinc/63/82/00/544638200.db2.gz XYGCGPGHNZYNBS-AWEZNQCLSA-N 1 0 267.373 0.646 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000136497348 544638654 /nfs/dbraw/zinc/63/86/54/544638654.db2.gz JWDLHYGUDSXZLM-UTUOFQBUSA-N 1 0 267.373 0.487 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC(NC(=O)C2CC2)CC1 ZINC000136392222 544638897 /nfs/dbraw/zinc/63/88/97/544638897.db2.gz UTUHZDPKXIVZOQ-CYBMUJFWSA-N 1 0 281.400 0.877 10 0 CCAERO CNC(=O)[C@H]1CCCCN1C(=O)C[C@@H]([NH3+])C(C)C ZINC000136390320 544638948 /nfs/dbraw/zinc/63/89/48/544638948.db2.gz OYCBVVHLQNCQOG-GHMZBOCLSA-N 1 0 255.362 0.487 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000136358434 544639021 /nfs/dbraw/zinc/63/90/21/544639021.db2.gz LYGXMJVKBIHKNA-QWHCGFSZSA-N 1 0 291.399 0.935 10 0 CCAERO CC[C@H](C)NC(=O)CCNC(=O)C[C@H]([NH3+])C(C)C ZINC000136410693 544639179 /nfs/dbraw/zinc/63/91/79/544639179.db2.gz NPHJUOCJOSHKPR-QWRGUYRKSA-N 1 0 257.378 0.781 10 0 CCAERO C[C@@H](NC(=O)C(C)(C)C[NH3+])c1ccc(S(N)(=O)=O)cc1 ZINC000164813191 544722345 /nfs/dbraw/zinc/72/23/45/544722345.db2.gz CPVAWEOSSNQFMV-SECBINFHSA-N 1 0 299.396 0.496 10 0 CCAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C[C@@H]1N1CCOCC1 ZINC000178860245 544748775 /nfs/dbraw/zinc/74/87/75/544748775.db2.gz BLLQJKJRKUJYBI-MQYQWHSLSA-N 1 0 281.400 0.293 10 0 CCAERO COC[C@H]([NH2+]C[C@H](O)CN1CCCC1=O)c1ccc(C)o1 ZINC000184732942 544773114 /nfs/dbraw/zinc/77/31/14/544773114.db2.gz UGHMWVDCPYJJAE-STQMWFEESA-N 1 0 296.367 0.848 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000228485496 544843176 /nfs/dbraw/zinc/84/31/76/544843176.db2.gz IEFYTBQVKJTAHX-GARJFASQSA-N 1 0 255.362 0.472 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H](C)C(=O)NC(C)(C)C ZINC000229070564 544847555 /nfs/dbraw/zinc/84/75/55/544847555.db2.gz LRXLUROMNFJJKF-NXEZZACHSA-N 1 0 257.378 0.779 10 0 CCAERO CNC(=O)[C@H]1CCCN(C(=O)C[C@H]([NH3+])C(C)C)C1 ZINC000232281962 544863152 /nfs/dbraw/zinc/86/31/52/544863152.db2.gz PTHNCPCUHNTCSE-QWRGUYRKSA-N 1 0 255.362 0.344 10 0 CCAERO COc1ccnc(CN2C[C@@H](C)[C@@H]([NH3+])C2)c1OC ZINC000234999607 544871988 /nfs/dbraw/zinc/87/19/88/544871988.db2.gz NCBJFZHFIHMSKB-ZJUUUORDSA-N 1 0 251.330 0.878 10 0 CCAERO C[C@]1(C(N)=O)CCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000235731159 544877785 /nfs/dbraw/zinc/87/77/85/544877785.db2.gz NLQDVGDPVUYBBY-NRUUGDAUSA-N 1 0 253.346 0.085 10 0 CCAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1cnn(C)c1N ZINC000252691010 544930376 /nfs/dbraw/zinc/93/03/76/544930376.db2.gz WPTUMLMVDCHKAP-QWRGUYRKSA-N 1 0 277.372 0.701 10 0 CCAERO O=C(CCc1ccc(Cl)cc1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262060649 544937805 /nfs/dbraw/zinc/93/78/05/544937805.db2.gz AUIMGOUJUHPMHK-DGCLKSJQSA-N 1 0 282.771 0.969 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cccc2cnccc21 ZINC000262064008 544937897 /nfs/dbraw/zinc/93/78/97/544937897.db2.gz BCPJPIWZRHFGMK-BXUZGUMPSA-N 1 0 271.320 0.545 10 0 CCAERO O=C(Cc1ccc(F)cc1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262057475 544937996 /nfs/dbraw/zinc/93/79/96/544937996.db2.gz AQSBEFSGVPGWHW-PWSUYJOCSA-N 1 0 252.289 0.065 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cc(-c2ccccc2)on1 ZINC000262102108 544939075 /nfs/dbraw/zinc/93/90/75/544939075.db2.gz DVROEJKOVYYTAB-DGCLKSJQSA-N 1 0 287.319 0.652 10 0 CCAERO Cc1ccccc1SCC(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262111361 544940397 /nfs/dbraw/zinc/94/03/97/544940397.db2.gz FKQJNTGUGHRDFL-VXGBXAGGSA-N 1 0 280.393 0.784 10 0 CCAERO Cc1ccc(C)c(OCCC(=O)NC[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000262127654 544940931 /nfs/dbraw/zinc/94/09/31/544940931.db2.gz GFNXDMNMHWKECI-ZIAGYGMSSA-N 1 0 292.379 0.769 10 0 CCAERO C[C@H](Oc1ccccc1)C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262119180 544941173 /nfs/dbraw/zinc/94/11/73/544941173.db2.gz FTMKSIKAEKNEQG-LOWVWBTDSA-N 1 0 264.325 0.150 10 0 CCAERO Cc1ccc2oc(C(=O)NC[C@H]3C[NH2+]C[C@H]3O)cc2n1 ZINC000262105265 544941213 /nfs/dbraw/zinc/94/12/13/544941213.db2.gz DZEVZBMDXMPIBU-MWLCHTKSSA-N 1 0 275.308 0.446 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000333794283 545043147 /nfs/dbraw/zinc/04/31/47/545043147.db2.gz GREWBDLSLXHISZ-GXFFZTMASA-N 1 0 290.367 0.995 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NC[C@H]1CCc2nccn2C1 ZINC000333842521 545043653 /nfs/dbraw/zinc/04/36/53/545043653.db2.gz ONRCNYXPUCODSZ-XQQFMLRXSA-N 1 0 291.399 0.885 10 0 CCAERO CC[N@H+](C)C[C@@H](O)Cn1cc(Br)c(N)n1 ZINC000308979393 545010160 /nfs/dbraw/zinc/01/01/60/545010160.db2.gz DFEGMAXSWMOVCR-SSDOTTSWSA-N 1 0 277.166 0.540 10 0 CCAERO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC[C@@](O)(C(N)=O)C2)C1 ZINC000319067210 545015645 /nfs/dbraw/zinc/01/56/45/545015645.db2.gz MUMKOSGQEVZTIU-GUTXKFCHSA-N 1 0 283.416 0.277 10 0 CCAERO OC[C@@H]1C[N@H+](C[C@@H]2CCOc3ccccc32)C[C@H]1O ZINC000317524191 545015901 /nfs/dbraw/zinc/01/59/01/545015901.db2.gz WDSBBNWAXWIAFW-SGMGOOAPSA-N 1 0 263.337 0.838 10 0 CCAERO OC[C@@H]1C[N@H+](C[C@H]2CCOc3ccccc32)C[C@@H]1O ZINC000317524188 545015952 /nfs/dbraw/zinc/01/59/52/545015952.db2.gz WDSBBNWAXWIAFW-DYEKYZERSA-N 1 0 263.337 0.838 10 0 CCAERO c1ncn(CC[N@@H+]2CCC[C@@H](Cn3cncn3)C2)n1 ZINC000328600670 545017356 /nfs/dbraw/zinc/01/73/56/545017356.db2.gz DERWIBSWHHQCNE-GFCCVEGCSA-N 1 0 261.333 0.282 10 0 CCAERO Cn1cc(N2CCC[C@@H]([N@@H+]3CC[C@@H](CCO)C3)C2=O)cn1 ZINC000328614339 545017813 /nfs/dbraw/zinc/01/78/13/545017813.db2.gz RAFCDGIVNZTBGP-GXTWGEPZSA-N 1 0 292.383 0.620 10 0 CCAERO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N[C@@H]1CCCNC1=O ZINC000332719765 545031955 /nfs/dbraw/zinc/03/19/55/545031955.db2.gz KRKLZWVQLLDSDN-UTUOFQBUSA-N 1 0 280.372 0.191 10 0 CCAERO C[C@@H]1OCC[C@H]1NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000332774099 545033540 /nfs/dbraw/zinc/03/35/40/545033540.db2.gz KJBHGZLETUNCTG-MELADBBJSA-N 1 0 297.399 0.528 10 0 CCAERO C[C@@H]1OCC[C@@H]1NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000333599549 545040614 /nfs/dbraw/zinc/04/06/14/545040614.db2.gz QEUUHQCKSCQUSQ-DCAQKATOSA-N 1 0 279.344 0.110 10 0 CCAERO O=C(N[C@@H]1CCO[C@@H]1C1CC1)N[C@@H]1CCC[NH2+]C1 ZINC000333629029 545040993 /nfs/dbraw/zinc/04/09/93/545040993.db2.gz SMTRAZNEBOQQFO-IJLUTSLNSA-N 1 0 253.346 0.605 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000333644739 545041267 /nfs/dbraw/zinc/04/12/67/545041267.db2.gz IWEMBWGIVQWXEM-RWMBFGLXSA-N 1 0 292.387 0.765 10 0 CCAERO C[C@@]12C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333700923 545042080 /nfs/dbraw/zinc/04/20/80/545042080.db2.gz OAJGJXVYLOBVKE-DVZHBHJUSA-N 1 0 291.395 0.313 10 0 CCAERO CC[N@H+](C)CCNS(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000408155803 276071421 /nfs/dbraw/zinc/07/14/21/276071421.db2.gz WMXJKRARSGXCDW-TXEJJXNPSA-N 1 0 277.434 0.750 10 0 CCAERO CC[N@H+](CC(=O)N1CCO[C@H](Cn2cccn2)C1)C1CC1 ZINC000152476305 276081443 /nfs/dbraw/zinc/08/14/43/276081443.db2.gz SQPQWUSVPXVGLS-AWEZNQCLSA-N 1 0 292.383 0.595 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@]12CCOC2=O ZINC000187259432 276171750 /nfs/dbraw/zinc/17/17/50/276171750.db2.gz KIFCZVXOAVEHFV-DOMZBBRYSA-N 1 0 295.383 0.962 10 0 CCAERO CCOc1nnc(CN2CCO[C@@H]3CC[N@H+](C)C[C@H]32)s1 ZINC000408038007 276386684 /nfs/dbraw/zinc/38/66/84/276386684.db2.gz JGAGTGJVFDNSST-GHMZBOCLSA-N 1 0 298.412 0.842 10 0 CCAERO C[NH2+]CCC(=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000262581946 277021078 /nfs/dbraw/zinc/02/10/78/277021078.db2.gz URQADYWFDUPBGS-SECBINFHSA-N 1 0 254.252 0.512 10 0 CCAERO CC(C)(C)[NH2+]CCNC(=O)[C@@H]1CCCCC(=O)N1 ZINC000193083580 277172907 /nfs/dbraw/zinc/17/29/07/277172907.db2.gz AAVSXMHQQJZHIZ-JTQLQIEISA-N 1 0 255.362 0.550 10 0 CCAERO CC(C)(C)OC(=O)N1CCCn2nnc(C[NH3+])c2C1 ZINC000091303702 277187500 /nfs/dbraw/zinc/18/75/00/277187500.db2.gz BIXFQEIBOFUQGS-UHFFFAOYSA-N 1 0 267.333 0.878 10 0 CCAERO C[NH2+]CCN(C)C(=O)c1cc(C)nc2c1cnn2C ZINC000237330177 277270063 /nfs/dbraw/zinc/27/00/63/277270063.db2.gz WQVOYWNPHUGYOJ-UHFFFAOYSA-N 1 0 261.329 0.568 10 0 CCAERO CO[C@H]1C[C@@H](C(=O)NC2(C)CCOCC2)[N@H+](C)C1 ZINC000408050713 277346960 /nfs/dbraw/zinc/34/69/60/277346960.db2.gz FOEZZOFRYBAZNH-QWRGUYRKSA-N 1 0 256.346 0.391 10 0 CCAERO C[C@H](C(=O)N1CCCCC1)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000247117459 278137161 /nfs/dbraw/zinc/13/71/61/278137161.db2.gz JJXZNVYVBSTFHU-QLFBSQMISA-N 1 0 297.443 0.774 10 0 CCAERO CSC[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000135470763 278139698 /nfs/dbraw/zinc/13/96/98/278139698.db2.gz YDIJPEABRFHFDW-NWDGAFQWSA-N 1 0 299.440 0.538 10 0 CCAERO C[C@@H](C(=O)N1CCCC[C@@H]1c1nc[nH]n1)[C@H](C)[NH3+] ZINC000192127061 278189394 /nfs/dbraw/zinc/18/93/94/278189394.db2.gz UWQSDMMKISYTDU-KXUCPTDWSA-N 1 0 251.334 0.842 10 0 CCAERO C[C@H]1CCC[N@H+](CCNC(=O)N2CCNC(=O)CC2)C1 ZINC000105127636 278342075 /nfs/dbraw/zinc/34/20/75/278342075.db2.gz CWKXAINFQPJWBV-LBPRGKRZSA-N 1 0 282.388 0.250 10 0 CCAERO CC1CC(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000516568081 278512793 /nfs/dbraw/zinc/51/27/93/278512793.db2.gz RBJHYTZKBDKCRO-BPCQOVAHSA-N 1 0 251.374 0.539 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000333886681 279031987 /nfs/dbraw/zinc/03/19/87/279031987.db2.gz XJCDXGLWFGCJJI-WJTVCTBASA-N 1 0 267.373 0.539 10 0 CCAERO CC[N@H+](CC(=O)N1CCNC[C@@H]1c1cnn(C)c1)C1CC1 ZINC000181440993 279051053 /nfs/dbraw/zinc/05/10/53/279051053.db2.gz HHHBRPQLPWFAHL-CQSZACIVSA-N 1 0 291.399 0.377 10 0 CCAERO CC[NH+](CC)CCN1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000119725398 279104331 /nfs/dbraw/zinc/10/43/31/279104331.db2.gz 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CCN(C(=O)C[NH2+]C1CCS(=O)(=O)CC1)C1CC1 ZINC000049292757 519915700 /nfs/dbraw/zinc/91/57/00/519915700.db2.gz YLGGUPGTOIFVIX-UHFFFAOYSA-N 1 0 274.386 0.164 10 0 CCAERO CCN(C(=O)C[NH2+]CCCS(C)(=O)=O)C1CC1 ZINC000049292832 519915748 /nfs/dbraw/zinc/91/57/48/519915748.db2.gz ZPIPCGASXDUVAI-UHFFFAOYSA-N 1 0 262.375 0.022 10 0 CCAERO CCN(CC(=O)NC(C)C)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055088906 520323385 /nfs/dbraw/zinc/32/33/85/520323385.db2.gz VWGOJGNCVVTXIB-NEPJUHHUSA-N 1 0 269.389 0.877 10 0 CCAERO CC1(C)CN(CCC[NH+]2CCCC2)C[C@@H](CO)O1 ZINC000163867616 520464668 /nfs/dbraw/zinc/46/46/68/520464668.db2.gz ZHFIBGMNTZBQBO-ZDUSSCGKSA-N 1 0 256.390 0.944 10 0 CCAERO CC1CCC(OC[C@@H](O)C[NH2+]CCOCCO)CC1 ZINC000054615580 520963168 /nfs/dbraw/zinc/96/31/68/520963168.db2.gz XVNQWOIRPMWGRI-MOKVOYLWSA-N 1 0 275.389 0.541 10 0 CCAERO CCCN(CC(=O)NC)C(=O)[C@@H]1CCC[C@@H](C[NH3+])C1 ZINC000055161742 521542140 /nfs/dbraw/zinc/54/21/40/521542140.db2.gz HQJOQECYLUMHMF-VXGBXAGGSA-N 1 0 269.389 0.736 10 0 CCAERO C[NH+](C)C[C@H]1CCCN1C(=O)c1cccc(NN)n1 ZINC000061656128 521866304 /nfs/dbraw/zinc/86/63/04/521866304.db2.gz AJULZCNZFUOTBB-SNVBAGLBSA-N 1 0 263.345 0.533 10 0 CCAERO CN(C)S(=O)(=O)c1ccccc1N1CC[C@@H]([NH3+])C1 ZINC000050244201 522001305 /nfs/dbraw/zinc/00/13/05/522001305.db2.gz RIYAXBIVLVBUDH-SNVBAGLBSA-N 1 0 269.370 0.474 10 0 CCAERO C[NH2+][C@H](CCN1CC[NH+](C2CCCC2)CC1)C(=O)[O-] ZINC000062531591 522458881 /nfs/dbraw/zinc/45/88/81/522458881.db2.gz LBFHOUDQCJZJKG-CYBMUJFWSA-N 1 0 269.389 0.609 10 0 CCAERO CN(CC(F)(F)F)S(=O)(=O)C[C@H]1CCC[NH2+]C1 ZINC000049644072 522578202 /nfs/dbraw/zinc/57/82/02/522578202.db2.gz YXIBWPWKRZKSCZ-QMMMGPOBSA-N 1 0 274.308 0.810 10 0 CCAERO CC[C@@H]([NH3+])C(=O)N[C@@H](C(=O)OC)c1ccccc1 ZINC000050512545 522639910 /nfs/dbraw/zinc/63/99/10/522639910.db2.gz OXGMYAOSRFCSPG-GHMZBOCLSA-N 1 0 250.298 0.754 10 0 CCAERO COC[C@H](O)CN(C)C(=O)C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000055141799 522782457 /nfs/dbraw/zinc/78/24/57/522782457.db2.gz 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COc1cc(C)nc(CNC[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000262182968 137029910 /nfs/dbraw/zinc/02/99/10/137029910.db2.gz XCVBTIZPFKUKFD-ZWNOBZJWSA-N 1 0 251.330 0.069 10 0 CCAERO Cc1ccc(C)c(CC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262220225 137031554 /nfs/dbraw/zinc/03/15/54/137031554.db2.gz JKJXVQKYCQWMOA-KGLIPLIRSA-N 1 0 262.353 0.542 10 0 CCAERO O=C(C1C[NH2+]C1)N1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000262215587 137031583 /nfs/dbraw/zinc/03/15/83/137031583.db2.gz JPALQZYXHAEPHT-NWDGAFQWSA-N 1 0 296.392 0.618 10 0 CCAERO CSCc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262230474 137031799 /nfs/dbraw/zinc/03/17/99/137031799.db2.gz KFVAUYUXHVGAHV-STQMWFEESA-N 1 0 280.393 0.860 10 0 CCAERO COc1ccc([C@H](C)C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262226295 137032005 /nfs/dbraw/zinc/03/20/05/137032005.db2.gz JXCWPPUVEWGUCM-SUHUHFCYSA-N 1 0 278.352 0.495 10 0 CCAERO CCOc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1OC ZINC000262229123 137032050 /nfs/dbraw/zinc/03/20/50/137032050.db2.gz KDBJTXDGAASWHT-NEPJUHHUSA-N 1 0 294.351 0.404 10 0 CCAERO CS[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@H]1O)c1ccccc1 ZINC000262245340 137032775 /nfs/dbraw/zinc/03/27/75/137032775.db2.gz LEJHZQWIMOSWJX-XQQFMLRXSA-N 1 0 280.393 0.787 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(OC2CCC2)cc1 ZINC000262274700 137033959 /nfs/dbraw/zinc/03/39/59/137033959.db2.gz NJXQMYSFTIEJKG-DOMZBBRYSA-N 1 0 290.363 0.928 10 0 CCAERO CC(C)OCc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262272054 137034083 /nfs/dbraw/zinc/03/40/83/137034083.db2.gz NBQOVWZHJXVJAZ-CABCVRRESA-N 1 0 292.379 0.922 10 0 CCAERO Cc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)ccc1F ZINC000262276282 137034228 /nfs/dbraw/zinc/03/42/28/137034228.db2.gz NLDUKFYTJDOLKQ-JQWIXIFHSA-N 1 0 252.289 0.444 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cc(-c2ccccc2)n[nH]1 ZINC000262267963 137034269 /nfs/dbraw/zinc/03/42/69/137034269.db2.gz MSLHFSINBGEKTI-FZMZJTMJSA-N 1 0 286.335 0.387 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1sccc1OC(F)F ZINC000262282649 137034756 /nfs/dbraw/zinc/03/47/56/137034756.db2.gz OAYOIHKYVICYKQ-RQJHMYQMSA-N 1 0 292.307 0.660 10 0 CCAERO C[C@@H](C(=O)NC[C@H](O)c1ccc(F)cc1)C1C[NH2+]C1 ZINC000262298616 137036092 /nfs/dbraw/zinc/03/60/92/137036092.db2.gz ZQDUQUOJXYRRHY-RNCFNFMXSA-N 1 0 266.316 0.831 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)C1(c2ccc(F)cc2)CC1 ZINC000262320298 137037404 /nfs/dbraw/zinc/03/74/04/137037404.db2.gz RGSZZZOVZDSYSJ-GXFFZTMASA-N 1 0 278.327 0.554 10 0 CCAERO CCc1cnc(CCNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)s1 ZINC000262339921 137038817 /nfs/dbraw/zinc/03/88/17/137038817.db2.gz GBEWGDOWDUKHIV-PSASIEDQSA-N 1 0 269.370 0.087 10 0 CCAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1ccc2c(c1)OCCO2 ZINC000263239903 137061351 /nfs/dbraw/zinc/06/13/51/137061351.db2.gz OMRBIVZSGDOUFG-NWDGAFQWSA-N 1 0 264.325 0.128 10 0 CCAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1cc(F)c(F)c(F)c1 ZINC000263252767 137061844 /nfs/dbraw/zinc/06/18/44/137061844.db2.gz QEBAWJAIEZVOKW-GZMMTYOYSA-N 1 0 260.259 0.774 10 0 CCAERO Cc1ccc2ncc(CNC[C@H]3C[NH2+]C[C@H]3O)n2c1 ZINC000263268776 137062302 /nfs/dbraw/zinc/06/23/02/137062302.db2.gz RWGDRMDRWQYONM-WCQYABFASA-N 1 0 260.341 0.313 10 0 CCAERO COc1cccc(CNC(=O)C2C[NH2+]C2)c1OC ZINC000263262365 137062316 /nfs/dbraw/zinc/06/23/16/137062316.db2.gz GQDFAXMLQIZPKT-UHFFFAOYSA-N 1 0 250.298 0.539 10 0 CCAERO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C1C[NH2+]C1 ZINC000263320033 137063715 /nfs/dbraw/zinc/06/37/15/137063715.db2.gz RDHRRDJWHLEGKL-OAHLLOKOSA-N 1 0 273.380 0.987 10 0 CCAERO COc1cc(OC)cc([C@H](O)CNC(=O)C2C[NH2+]C2)c1 ZINC000263309712 137063835 /nfs/dbraw/zinc/06/38/35/137063835.db2.gz OZIXWTQXXPRULI-CYBMUJFWSA-N 1 0 280.324 0.073 10 0 CCAERO COc1ccccc1O[C@@H](C)CNC(=O)C1C[NH2+]C1 ZINC000263317128 137063940 /nfs/dbraw/zinc/06/39/40/137063940.db2.gz QMXBVLMHGWFJPC-JTQLQIEISA-N 1 0 264.325 0.798 10 0 CCAERO CC(C)c1nc2n(n1)C[C@H](NC(=O)C1C[NH2+]C1)CC2 ZINC000263331003 137064122 /nfs/dbraw/zinc/06/41/22/137064122.db2.gz UWNAOAHFYUMYBJ-SNVBAGLBSA-N 1 0 263.345 0.052 10 0 CCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CC(=O)N2CCC(C)CC2)C1 ZINC000311841278 137075878 /nfs/dbraw/zinc/07/58/78/137075878.db2.gz QTMLZKGWXXFVJN-QWHCGFSZSA-N 1 0 270.373 0.327 10 0 CCAERO O=C(NC[C@@H]1CCC[C@H]1O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000332998147 137082528 /nfs/dbraw/zinc/08/25/28/137082528.db2.gz QDUJOCUCEKGAGB-AEGPPILISA-N 1 0 296.411 0.907 10 0 CCAERO CC(C)n1cc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)nn1 ZINC000342126801 137087616 /nfs/dbraw/zinc/08/76/16/137087616.db2.gz FHOXYPWBVVUUBT-KOLCDFICSA-N 1 0 251.334 0.616 10 0 CCAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1c[nH]c(-c2ccccc2)n1 ZINC000263208374 137060339 /nfs/dbraw/zinc/06/03/39/137060339.db2.gz KAFHGYCIZXYLJW-JSGCOSHPSA-N 1 0 272.352 0.747 10 0 CCAERO O[C@@H]1C[NH2+]C[C@H]1CNCc1cnc([C@H]2CCCO2)s1 ZINC000263241460 137061116 /nfs/dbraw/zinc/06/11/16/137061116.db2.gz OREWIKMPCRYPNO-YUSALJHKSA-N 1 0 283.397 0.665 10 0 CCAERO CC(C)[NH2+]C[C@H](O)COc1ccc(C(N)=O)cc1 ZINC000003608396 347985669 /nfs/dbraw/zinc/98/56/69/347985669.db2.gz GKCXZIYBNFXMHE-NSHDSACASA-N 1 0 252.314 0.523 10 0 CCAERO COc1cc(C[C@H](C[NH3+])CO)cc(OC)c1OC ZINC000011978634 348018507 /nfs/dbraw/zinc/01/85/07/348018507.db2.gz FRJRLYVYRAQUBN-SNVBAGLBSA-N 1 0 255.314 0.822 10 0 CCAERO C[C@H]([NH3+])c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012506361 348019789 /nfs/dbraw/zinc/01/97/89/348019789.db2.gz BTHINPVZOYUHBK-JTQLQIEISA-N 1 0 270.354 0.727 10 0 CCAERO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000020940402 348079176 /nfs/dbraw/zinc/07/91/76/348079176.db2.gz VRAQPSZMVFZXTL-FRRDWIJNSA-N 1 0 281.400 0.688 10 0 CCAERO CO[C@H]1C[C@@H](CO)N(CC[NH+]2CCC(C)CC2)C1 ZINC000344673057 137207182 /nfs/dbraw/zinc/20/71/82/137207182.db2.gz HUGSXLADVHHULA-KBPBESRZSA-N 1 0 256.390 0.800 10 0 CCAERO CCCCOC[C@H](O)C[N@@H+]1C[C@H](OC)C[C@@H]1CO ZINC000344681761 137207423 /nfs/dbraw/zinc/20/74/23/137207423.db2.gz SASWYXDFHZLPKQ-JHJVBQTASA-N 1 0 261.362 0.246 10 0 CCAERO O=c1c2cnccc2ncn1CC[N@H+]1CCCC[C@H]1CO ZINC000032558315 348135102 /nfs/dbraw/zinc/13/51/02/348135102.db2.gz YBJZKHWGMRHDDY-LBPRGKRZSA-N 1 0 288.351 0.638 10 0 CCAERO Cn1cnnc1CCNC(=O)C[C@@H]1CCCC[NH2+]1 ZINC000104054962 185887537 /nfs/dbraw/zinc/88/75/37/185887537.db2.gz FQYSFRKTDLBEHU-JTQLQIEISA-N 1 0 251.334 0.006 10 0 CCAERO CN(Cc1ccccc1)[C@H]1CS(=O)(=O)C[C@@H]1[NH3+] ZINC000031996222 348129511 /nfs/dbraw/zinc/12/95/11/348129511.db2.gz WEMBXLXKWHGPEY-RYUDHWBXSA-N 1 0 254.355 0.243 10 0 CCAERO CNC(=O)C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000037207824 348185917 /nfs/dbraw/zinc/18/59/17/348185917.db2.gz AIMRXHUSOUFZNY-VIFPVBQESA-N 1 0 270.354 0.487 10 0 CCAERO C[C@H](NC(=O)CNC(=O)C[NH3+])c1cc(F)ccc1F ZINC000037626991 348194713 /nfs/dbraw/zinc/19/47/13/348194713.db2.gz VCBGVJCDZJYGEW-ZETCQYMHSA-N 1 0 271.267 0.217 10 0 CCAERO CCN(CCc1ccccc1)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000037815022 348209341 /nfs/dbraw/zinc/20/93/41/348209341.db2.gz KZOJHEXQFWHOEO-KBPBESRZSA-N 1 0 262.353 0.800 10 0 CCAERO CN(C)c1ccc(C(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC000041161925 348249311 /nfs/dbraw/zinc/24/93/11/348249311.db2.gz HAMJYXNRVGRTKM-CYBMUJFWSA-N 1 0 263.341 0.552 10 0 CCAERO C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CCC[C@H](C[NH3+])C1 ZINC000104143869 185909358 /nfs/dbraw/zinc/90/93/58/185909358.db2.gz BVAZPAROWWWBCK-OUAUKWLOSA-N 1 0 253.346 0.098 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CCCC(=O)OC)C1 ZINC000049063057 348437999 /nfs/dbraw/zinc/43/79/99/348437999.db2.gz GHHJVVGYWLNMEO-LLVKDONJSA-N 1 0 292.401 0.343 10 0 CCAERO O=C(CC[C@@H]1CCC[NH2+]C1)N[C@@H]1CCCNC1=O ZINC000050397728 348475214 /nfs/dbraw/zinc/47/52/14/348475214.db2.gz OOBBWYGOJBQEHL-WDEREUQCSA-N 1 0 253.346 0.161 10 0 CCAERO CNS(=O)(=O)c1cc(NC(=O)[C@@H](C)[NH2+]C)ccc1C ZINC000054073852 348540707 /nfs/dbraw/zinc/54/07/07/348540707.db2.gz CBBOFMOWSNOBMP-SECBINFHSA-N 1 0 285.369 0.450 10 0 CCAERO C[NH2+][C@H](C)C(=O)N[C@H](C(=O)OC)c1ccccc1 ZINC000054076912 348540997 /nfs/dbraw/zinc/54/09/97/348540997.db2.gz CIUVHJQLGBWUOX-KOLCDFICSA-N 1 0 250.298 0.625 10 0 CCAERO O=S(=O)(C[C@@H]1CCC[NH2+]1)NCC1CCOCC1 ZINC000104188418 185920222 /nfs/dbraw/zinc/92/02/22/185920222.db2.gz CBQOKTCHPVDIQK-NSHDSACASA-N 1 0 262.375 0.084 10 0 CCAERO C[C@H](Cn1cccn1)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054291439 348547968 /nfs/dbraw/zinc/54/79/68/348547968.db2.gz JCDLGYPSLPDWAD-NEPJUHHUSA-N 1 0 250.346 0.778 10 0 CCAERO O=C1NCCN[C@]12CCC[N@H+](Cc1ccccc1)C2 ZINC000051925035 348500933 /nfs/dbraw/zinc/50/09/33/348500933.db2.gz LCBJUJSLVHVBTK-HNNXBMFYSA-N 1 0 259.353 0.741 10 0 CCAERO COC(=O)[C@@H](C)CN(C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054308199 348549603 /nfs/dbraw/zinc/54/96/03/348549603.db2.gz QGNFNKIEKXEYDH-WDEREUQCSA-N 1 0 256.346 0.644 10 0 CCAERO OCCOCC[NH2+]C[C@H](O)COC1CCCCC1 ZINC000054615496 348561005 /nfs/dbraw/zinc/56/10/05/348561005.db2.gz GKWMYAYVWRQWAE-LBPRGKRZSA-N 1 0 261.362 0.295 10 0 CCAERO CC(C)[N@@H+](CC(N)=O)C[C@@H](O)COCc1ccccc1 ZINC000057950752 348619318 /nfs/dbraw/zinc/61/93/18/348619318.db2.gz VHRWAQUSFZGJOT-CQSZACIVSA-N 1 0 280.368 0.760 10 0 CCAERO O=C(N[C@@H]1CC[NH2+]C1)c1ccc(CSc2nc[nH]n2)o1 ZINC000065387748 348712975 /nfs/dbraw/zinc/71/29/75/348712975.db2.gz JFZUPEOHYGSPHG-MRVPVSSYSA-N 1 0 293.352 0.782 10 0 CCAERO O=C(CC[C@H]1CCC[NH2+]C1)N1CC[C@@H](N2CCOCC2)C1 ZINC000062976755 348674620 /nfs/dbraw/zinc/67/46/20/348674620.db2.gz RDDBJNDLURYPOO-HUUCEWRRSA-N 1 0 295.427 0.699 10 0 CCAERO COCCS(=O)(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC000063128305 348677456 /nfs/dbraw/zinc/67/74/56/348677456.db2.gz JKVQTVOVUHGYRO-LLVKDONJSA-N 1 0 284.381 0.915 10 0 CCAERO C[C@@H]1C[C@@H](C[N@@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)CCO1 ZINC000408145933 297253098 /nfs/dbraw/zinc/25/30/98/297253098.db2.gz VZNWJSAXWUGLHI-WYUUTHIRSA-N 1 0 256.346 0.376 10 0 CCAERO CCCN(CCC)S(=O)(=O)NCC[C@@H](C)[NH3+] ZINC000063170994 348679956 /nfs/dbraw/zinc/67/99/56/348679956.db2.gz CCMQPQPPXAPCOY-SNVBAGLBSA-N 1 0 251.396 0.680 10 0 CCAERO CC(C)[N@H+](C)CC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000063582163 348687857 /nfs/dbraw/zinc/68/78/57/348687857.db2.gz RJPSLGYDJSKHSB-LBPRGKRZSA-N 1 0 269.389 0.844 10 0 CCAERO [NH3+]C[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC000067173037 348768254 /nfs/dbraw/zinc/76/82/54/348768254.db2.gz YFHHDBAFXYRWDK-NWDGAFQWSA-N 1 0 250.298 0.717 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NC(=O)CCSc2nnnn2C)C1 ZINC000066921981 348761189 /nfs/dbraw/zinc/76/11/89/348761189.db2.gz QOBSGLZYLNGMEG-SNVBAGLBSA-N 1 0 298.416 0.293 10 0 CCAERO NS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000070573663 348892894 /nfs/dbraw/zinc/89/28/94/348892894.db2.gz RGOCHSBHBCQAOC-NXEZZACHSA-N 1 0 297.380 0.790 10 0 CCAERO CCOCCN1CC[NH+](CC2CCN(C(C)=O)CC2)CC1 ZINC000069843655 348863363 /nfs/dbraw/zinc/86/33/63/348863363.db2.gz IWGBQHDZXMAIPX-UHFFFAOYSA-N 1 0 297.443 0.899 10 0 CCAERO [NH3+][C@@H]1CCN(c2ccc(-c3nc(C4CC4)no3)nn2)C1 ZINC000070458458 348890524 /nfs/dbraw/zinc/89/05/24/348890524.db2.gz SQUYHAVIZUISRB-SECBINFHSA-N 1 0 272.312 0.941 10 0 CCAERO C[C@@H]1C[C@@H]1NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000073236730 348947175 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293.371 0.439 10 0 CCAERO COCCN1CC[N@H+](CCC(=O)NC(C)C)C[C@H]1C ZINC000105833670 186075337 /nfs/dbraw/zinc/07/53/37/186075337.db2.gz DSQUPQSBTWLDCU-CYBMUJFWSA-N 1 0 271.405 0.554 10 0 CCAERO COCCN1CC[N@H+](C[C@H](O)COC(C)C)C[C@H]1C ZINC000105902848 186087681 /nfs/dbraw/zinc/08/76/81/186087681.db2.gz LGNDZWCULMPAET-KGLIPLIRSA-N 1 0 274.405 0.425 10 0 CCAERO CCOCC[NH+]1CCN(C[C@@H](O)COC(C)(C)C)CC1 ZINC000105913174 186088568 /nfs/dbraw/zinc/08/85/68/186088568.db2.gz FNTVIDCZMHPIGR-CQSZACIVSA-N 1 0 288.432 0.817 10 0 CCAERO CCOCC[N@@H+]1CCN([C@@H](C)C(=O)OC)C[C@@H]1C ZINC000105914182 186089166 /nfs/dbraw/zinc/08/91/66/186089166.db2.gz APPSUEXHVMIRQD-RYUDHWBXSA-N 1 0 258.362 0.591 10 0 CCAERO CCCc1noc(CN2CCO[C@@H](C[NH+](C)C)C2)n1 ZINC000105927073 186092727 /nfs/dbraw/zinc/09/27/27/186092727.db2.gz WLKPMQLTBDODHS-NSHDSACASA-N 1 0 268.361 0.785 10 0 CCAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000105932939 186092776 /nfs/dbraw/zinc/09/27/76/186092776.db2.gz PMDPTPVIARZKCN-NEPJUHHUSA-N 1 0 271.405 0.600 10 0 CCAERO CCC[C@H](C)NC(=O)[C@H](C)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105925893 186092931 /nfs/dbraw/zinc/09/29/31/186092931.db2.gz TWVNTQGDOJPTIP-MELADBBJSA-N 1 0 285.432 0.942 10 0 CCAERO COC(=O)c1ccc(N2CCN(C)C[C@@H]2C[NH3+])nc1C ZINC000147696477 350470219 /nfs/dbraw/zinc/47/02/19/350470219.db2.gz HKOJBLMYOZDFME-NSHDSACASA-N 1 0 278.356 0.256 10 0 CCAERO O=C(c1cnsn1)N1CCC[N@@H+](C2CC2)CC1 ZINC000148897803 350476129 /nfs/dbraw/zinc/47/61/29/350476129.db2.gz XEWGEACCXARGJS-UHFFFAOYSA-N 1 0 252.343 0.848 10 0 CCAERO O=C(C1=COCCO1)N1CCC[N@@H+](C2CC2)CC1 ZINC000149239917 350477068 /nfs/dbraw/zinc/47/70/68/350477068.db2.gz OAISHVQGAIATDK-UHFFFAOYSA-N 1 0 252.314 0.571 10 0 CCAERO CC(C)[N@H+]1C[C@H](NC(=O)C(=O)Nc2ccnn2C)[C@@H](C)C1 ZINC000154922522 350604092 /nfs/dbraw/zinc/60/40/92/350604092.db2.gz KMGFQHPVYSNWMN-QWRGUYRKSA-N 1 0 293.371 0.204 10 0 CCAERO CNC(=O)CCC[N@H+](C)C[C@H](O)COC(C)(C)C ZINC000154865913 350601855 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350839146 /nfs/dbraw/zinc/83/91/46/350839146.db2.gz KFXKPMJQTYYWTQ-CYBMUJFWSA-N 1 0 299.415 0.633 10 0 CCAERO Cc1nn(C)c(C)c1C(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170857930 350868969 /nfs/dbraw/zinc/86/89/69/350868969.db2.gz BULHKZPQFBOJOB-LLVKDONJSA-N 1 0 278.356 0.382 10 0 CCAERO CC(=O)NCCCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171901357 350941171 /nfs/dbraw/zinc/94/11/71/350941171.db2.gz IEGBTIFUMGBIFC-GFCCVEGCSA-N 1 0 268.361 0.002 10 0 CCAERO CS(=O)(=O)CCCC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171716542 350930675 /nfs/dbraw/zinc/93/06/75/350930675.db2.gz LJDQTQZLYWURPX-NSHDSACASA-N 1 0 274.386 0.118 10 0 CCAERO CCc1nnc(CN2CC[C@H](C[NH+]3CCOCC3)C2)n1C ZINC000172936549 351018311 /nfs/dbraw/zinc/01/83/11/351018311.db2.gz ORGYFMBSPHPMCL-CYBMUJFWSA-N 1 0 293.415 0.532 10 0 CCAERO C[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1N1CCOCC1 ZINC000173981585 351065579 /nfs/dbraw/zinc/06/55/79/351065579.db2.gz WANSDMQGXPPNET-YPMHNXCESA-N 1 0 278.356 0.131 10 0 CCAERO CCc1cc(C(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)[nH]n1 ZINC000173819118 351056848 /nfs/dbraw/zinc/05/68/48/351056848.db2.gz YUVPMAMTZAJTAE-FZMZJTMJSA-N 1 0 292.383 0.765 10 0 CCAERO CCN(CC)C(=O)C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173933970 351063731 /nfs/dbraw/zinc/06/37/31/351063731.db2.gz WWCTVPDVXBHNRC-CYBMUJFWSA-N 1 0 269.389 0.261 10 0 CCAERO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC(=O)N(C)C ZINC000174753642 351102394 /nfs/dbraw/zinc/10/23/94/351102394.db2.gz OCDAHQAKAXTIPG-FRRDWIJNSA-N 1 0 283.416 0.947 10 0 CCAERO CCCNC(=O)NC(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000175049437 351116097 /nfs/dbraw/zinc/11/60/97/351116097.db2.gz UUNMTFNLKIBXDM-STQMWFEESA-N 1 0 296.415 0.781 10 0 CCAERO CCN1C[C@@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1=O ZINC000174249623 351076072 /nfs/dbraw/zinc/07/60/72/351076072.db2.gz XPRZCZHQRGRUNE-FUDCBSFHSA-N 1 0 293.411 0.986 10 0 CCAERO Cn1cc(N2CC[NH+](C[C@H](O)COC(C)(C)C)CC2)cn1 ZINC000175291782 351124862 /nfs/dbraw/zinc/12/48/62/351124862.db2.gz BZQCMBMMRZWCDT-AWEZNQCLSA-N 1 0 296.415 0.718 10 0 CCAERO CCOCCNC(=O)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000175963473 351151857 /nfs/dbraw/zinc/15/18/57/351151857.db2.gz ZXKRXLBOCBJZQC-UHFFFAOYSA-N 1 0 294.399 0.748 10 0 CCAERO NC(=O)c1c[nH]c(C(=O)N2CCN3CCCC[C@H]3C2)c1 ZINC000176237985 351164148 /nfs/dbraw/zinc/16/41/48/351164148.db2.gz OTFQQQPDFWJNFR-NSHDSACASA-N 1 0 276.340 0.424 10 0 CCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCC(=O)N(C)C)C1 ZINC000176620730 351179728 /nfs/dbraw/zinc/17/97/28/351179728.db2.gz NDBOZFLMJOBUAM-NEPJUHHUSA-N 1 0 284.404 0.493 10 0 CCAERO C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)[C@@H]1C ZINC000177871042 351215069 /nfs/dbraw/zinc/21/50/69/351215069.db2.gz GNXPCHVKIYNTCJ-UTUOFQBUSA-N 1 0 267.373 0.441 10 0 CCAERO O=C(c1cc[nH]c(=O)c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000178079245 351218753 /nfs/dbraw/zinc/21/87/53/351218753.db2.gz UMMWJHPRANHTLZ-UHFFFAOYSA-N 1 0 261.325 0.685 10 0 CCAERO O=C(C1CC[NH+]([C@@H]2CCNC2=O)CC1)N1CCCCCC1 ZINC000178185970 351221622 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O=C(NCCCCOCc1ccccc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000154382768 188138772 /nfs/dbraw/zinc/13/87/72/188138772.db2.gz ATODZEWKXJEDET-GJZGRUSLSA-N 1 0 292.379 0.822 10 0 CCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CC(=O)Nc1ccccc1 ZINC000282473053 353427603 /nfs/dbraw/zinc/42/76/03/353427603.db2.gz UUPFWROAXJGCMO-PWSUYJOCSA-N 1 0 261.325 0.882 10 0 CCAERO O=C(N1[C@@H]2CC[C@H]1CNC(=O)C2)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262490740 303700965 /nfs/dbraw/zinc/70/09/65/303700965.db2.gz HOTWSHAIBAOGJQ-RSUWNVLCSA-N 1 0 291.395 0.646 10 0 CCAERO CN1CCN(c2nc(C(F)(F)F)ns2)[C@H](C[NH3+])C1 ZINC000300291111 354062012 /nfs/dbraw/zinc/06/20/12/354062012.db2.gz JNPDTCXTMITXQX-ZCFIWIBFSA-N 1 0 281.307 0.636 10 0 CCAERO COC[C@H](C)OC[C@H](O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000300281114 354062103 /nfs/dbraw/zinc/06/21/03/354062103.db2.gz BANOOADNNNDYOJ-SOUVJXGZSA-N 1 0 286.416 0.569 10 0 CCAERO NC(=O)[C@@H](O)C1CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000299752757 354046317 /nfs/dbraw/zinc/04/63/17/354046317.db2.gz 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MWTPZHHXGDLYDC-YUMQZZPRSA-N 1 0 254.252 0.619 10 0 CCAERO O=C1N(CC(F)(F)F)CCO[C@]12CCC[NH2+]C2 ZINC000409423689 358111298 /nfs/dbraw/zinc/11/12/98/358111298.db2.gz CRMHUPGEAYWMJS-VIFPVBQESA-N 1 0 252.236 0.530 10 0 CCAERO O=C1CCCN1c1nnc(N2CC[NH2+]CC2)s1 ZINC000409423389 358111805 /nfs/dbraw/zinc/11/18/05/358111805.db2.gz QOFOAUKREQHVGP-UHFFFAOYSA-N 1 0 253.331 0.075 10 0 CCAERO O=C(CCc1cccnc1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000567982642 358620657 /nfs/dbraw/zinc/62/06/57/358620657.db2.gz GFQILXHBFYPMMP-QWHCGFSZSA-N 1 0 261.325 0.213 10 0 CCAERO CC(C)CN1C[C@@H](C(=O)N2CCC[C@H]2C[NH3+])CC1=O ZINC000581010662 359120640 /nfs/dbraw/zinc/12/06/40/359120640.db2.gz ULYKRZJKYPCPCN-RYUDHWBXSA-N 1 0 267.373 0.441 10 0 CCAERO C[NH+]1CCN(CC2=N[C@@H](c3ccccc3)NO2)CC1 ZINC000584652627 359186404 /nfs/dbraw/zinc/18/64/04/359186404.db2.gz XTHWWVUMSBPEHR-CQSZACIVSA-N 1 0 260.341 0.866 10 0 CCAERO COC(=O)CCCCCNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000591591613 359603359 /nfs/dbraw/zinc/60/33/59/359603359.db2.gz GVNBWVDKFAKAHY-NSHDSACASA-N 1 0 272.345 0.072 10 0 CCAERO COC(=O)C1CCC(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000591675219 359635448 /nfs/dbraw/zinc/63/54/48/359635448.db2.gz RDACLZGMQYKEQL-UPOSSJBDSA-N 1 0 268.357 0.962 10 0 CCAERO CC[N@@H+]1CCN(C(=O)c2cnn3ccncc23)[C@@H](C)C1 ZINC000329327025 202285246 /nfs/dbraw/zinc/28/52/46/202285246.db2.gz UIJLMCKYXBCIKQ-NSHDSACASA-N 1 0 273.340 0.896 10 0 CCAERO O=C(CN1CCC(=O)NC1=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000329489839 202359284 /nfs/dbraw/zinc/35/92/84/202359284.db2.gz SHHYFWJRUBEJMG-NSHDSACASA-N 1 0 294.355 0.465 10 0 CCAERO C[C@H](NC(=O)c1ccco1)C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000563410420 291225664 /nfs/dbraw/zinc/22/56/64/291225664.db2.gz GEFXAJCYAUCHAB-GUBZILKMSA-N 1 0 265.313 0.204 10 0 CCAERO CCOC(=O)c1cnc(N[C@H](C)C[NH2+]C)nc1C ZINC000596032858 360779107 /nfs/dbraw/zinc/77/91/07/360779107.db2.gz PKEZBCJYUYBZAS-MRVPVSSYSA-N 1 0 252.318 0.982 10 0 CCAERO Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2C[C@H](O)C[C@@H]2CO)c1 ZINC000179181985 189175795 /nfs/dbraw/zinc/17/57/95/189175795.db2.gz HLWORNYQWANTBW-RBSFLKMASA-N 1 0 295.379 0.471 10 0 CCAERO Cc1ccc(NC(=O)CN2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000179184885 189175858 /nfs/dbraw/zinc/17/58/58/189175858.db2.gz DGTCRDRRSJEJEK-OLZOCXBDSA-N 1 0 264.325 0.361 10 0 CCAERO O=C(CSCc1cscn1)N1CC[NH2+]CC1 ZINC000181332966 189294550 /nfs/dbraw/zinc/29/45/50/189294550.db2.gz DCFUCTUVPCPTOK-UHFFFAOYSA-N 1 0 257.384 0.808 10 0 CCAERO O=C(c1cccnc1OCC(F)F)N1CC[NH2+]CC1 ZINC000181352217 189294293 /nfs/dbraw/zinc/29/42/93/189294293.db2.gz GPAGZGITZNAKTB-UHFFFAOYSA-N 1 0 271.267 0.771 10 0 CCAERO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1CNC(=O)C1 ZINC000182075530 189313601 /nfs/dbraw/zinc/31/36/01/189313601.db2.gz JFYPPSFDZKCAFV-TZMCWYRMSA-N 1 0 289.379 0.759 10 0 CCAERO CCC[C@@H]([NH3+])C(=O)N1CC[C@H](OCCOCC)C1 ZINC000182691909 189331324 /nfs/dbraw/zinc/33/13/24/189331324.db2.gz HBUSRJBOSHGHIT-NWDGAFQWSA-N 1 0 258.362 0.768 10 0 CCAERO Cc1cc(C)n2nc(C(=O)N3C[C@@H](C)[C@@H]([NH3+])C3)nc2n1 ZINC000564955908 291325587 /nfs/dbraw/zinc/32/55/87/291325587.db2.gz CEGTUENTUFIEOK-XCBNKYQSSA-N 1 0 274.328 0.160 10 0 CCAERO C[NH2+]CC(=O)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000193134573 189635933 /nfs/dbraw/zinc/63/59/33/189635933.db2.gz UOPGPFDXGRJLSI-GHMZBOCLSA-N 1 0 268.313 0.150 10 0 CCAERO Cc1n[nH]c(C)c1S(=O)(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631967498 370795287 /nfs/dbraw/zinc/79/52/87/370795287.db2.gz IRSMFXBPHYLLCH-XVKPBYJWSA-N 1 0 272.374 0.242 10 0 CCAERO NS(=O)(=O)N1CC[NH2+]C[C@H]1c1cccc2cccnc21 ZINC000616603642 365382464 /nfs/dbraw/zinc/38/24/64/365382464.db2.gz YVWMLNUVAHGMMA-LBPRGKRZSA-N 1 0 292.364 0.385 10 0 CCAERO [NH3+]CCN1CCO[C@@H](c2cccc3nnccc32)C1 ZINC000616603331 365382638 /nfs/dbraw/zinc/38/26/38/365382638.db2.gz LVCODDATYBFUTE-CQSZACIVSA-N 1 0 258.325 0.962 10 0 CCAERO OCCc1ccccc1[C@H]1CN(CCO)CC[NH2+]1 ZINC000616632526 365391474 /nfs/dbraw/zinc/39/14/74/365391474.db2.gz SMMJSCWGMRLVRK-CQSZACIVSA-N 1 0 250.342 0.160 10 0 CCAERO 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10 0 CCAERO O=C(Nc1ccc2c(c1)CCO2)[C@@H]1C[NH2+]CCOC1 ZINC000643641534 390485711 /nfs/dbraw/zinc/48/57/11/390485711.db2.gz DCYJGJKVHLENFG-LLVKDONJSA-N 1 0 262.309 0.796 10 0 CCAERO CCN(C[C@@H]1CCOC1)C(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643641455 390486151 /nfs/dbraw/zinc/48/61/51/390486151.db2.gz ZBHUOIONUVHCCS-JSGCOSHPSA-N 1 0 270.373 0.640 10 0 CCAERO Cn1ncc2c1CCC[C@@H]2NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643643260 390487130 /nfs/dbraw/zinc/48/71/30/390487130.db2.gz ZEYKUSDRMOQFAU-PWSUYJOCSA-N 1 0 278.356 0.150 10 0 CCAERO CCN(Cc1ccccn1)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000649332375 390589261 /nfs/dbraw/zinc/58/92/61/390589261.db2.gz XPZPDRPOVXZNGA-LBPRGKRZSA-N 1 0 263.341 0.666 10 0 CCAERO COC[C@H](NC(=O)[C@]1(COC)CCC[NH2+]1)C1CC1 ZINC000643767801 390537853 /nfs/dbraw/zinc/53/78/53/390537853.db2.gz AUIPRXIEBPSEES-WCQYABFASA-N 1 0 256.346 0.296 10 0 CCAERO COCCC1(C(=O)NCCOC(C)C)CC[NH2+]CC1 ZINC000643779551 390544085 /nfs/dbraw/zinc/54/40/85/390544085.db2.gz IJDQJQZAKQVIDK-UHFFFAOYSA-N 1 0 272.389 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VTXWJEHADGYXCY-SNVBAGLBSA-N 1 0 276.402 0.458 10 0 CCAERO CCN1CC[C@H]([NH2+]CC(C)(C)N2CCOCC2)C1 ZINC000385802091 397500205 /nfs/dbraw/zinc/50/02/05/397500205.db2.gz LZAIEMNNCSZGOU-ZDUSSCGKSA-N 1 0 255.406 0.781 10 0 CCAERO CO[C@@H]1[C@H](C)[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)C1(C)C ZINC000262818409 285884093 /nfs/dbraw/zinc/88/40/93/285884093.db2.gz WFJHTJKRXHEJEF-OXHMUOHRSA-N 1 0 292.383 0.845 10 0 CCAERO CCO[C@@H]1C[C@@H](NC(=O)C[NH+](C)C)C12CCOCC2 ZINC000184496249 286255739 /nfs/dbraw/zinc/25/57/39/286255739.db2.gz GHMZTAFEVFYVLK-VXGBXAGGSA-N 1 0 270.373 0.638 10 0 CCAERO CCO[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[NH2+]C2)C12CCOCC2 ZINC000333857449 286269279 /nfs/dbraw/zinc/26/92/79/286269279.db2.gz YOYZQNFZNDGIBR-YNEHKIRRSA-N 1 0 297.399 0.622 10 0 CCAERO COCCC[C@H](C)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000181937885 292380208 /nfs/dbraw/zinc/38/02/08/292380208.db2.gz FKXIYCVOXJZTRE-STQMWFEESA-N 1 0 272.389 0.838 10 0 CCAERO CC(C)(C)n1nnc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])n1 ZINC000659293952 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252.343 0.816 10 0 CCAERO CC(C)[C@@H](C[NH2+]C1CCS(=O)(=O)CC1)N(C)C ZINC000035652347 172328637 /nfs/dbraw/zinc/32/86/37/172328637.db2.gz CXRYTDKFWKTBMI-GFCCVEGCSA-N 1 0 262.419 0.739 10 0 CCAERO [NH3+]CCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)s1 ZINC000035679374 172349622 /nfs/dbraw/zinc/34/96/22/172349622.db2.gz ABLUGLRWOCCHKS-VIFPVBQESA-N 1 0 290.410 0.707 10 0 CCAERO C[NH+](C)CCCNC(=O)CC[C@H]1CCS(=O)(=O)C1 ZINC000036183490 172501126 /nfs/dbraw/zinc/50/11/26/172501126.db2.gz PBLZYHYYWCLRRI-NSHDSACASA-N 1 0 276.402 0.269 10 0 CCAERO CO[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(Cl)cn1C ZINC000036236117 172533507 /nfs/dbraw/zinc/53/35/07/172533507.db2.gz YAMUQAVXTTZSQB-WPRPVWTQSA-N 1 0 257.721 0.395 10 0 CCAERO Cc1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)o1 ZINC000037017798 172878829 /nfs/dbraw/zinc/87/88/29/172878829.db2.gz LMEWKGVBVFBARE-ZJUUUORDSA-N 1 0 288.369 0.527 10 0 CCAERO CN1CCO[C@H](C[N@H+](C)C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000659901016 413956948 /nfs/dbraw/zinc/95/69/48/413956948.db2.gz RIHQZDYSSRQLDW-MCIONIFRSA-N 1 0 256.390 0.800 10 0 CCAERO Cn1ccc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000285626386 196348064 /nfs/dbraw/zinc/34/80/64/196348064.db2.gz DTAWKLRPZKHQCX-OLZOCXBDSA-N 1 0 263.341 0.570 10 0 CCAERO Cc1cc(C(=O)N(CC(N)=O)[C@@H]2CC[NH2+]C2)c(C)o1 ZINC000037540532 173262006 /nfs/dbraw/zinc/26/20/06/173262006.db2.gz CGOQWTSZJCBBFQ-SNVBAGLBSA-N 1 0 265.313 0.186 10 0 CCAERO [NH3+]C1(CNS(=O)(=O)c2cn[nH]c2)CCCCC1 ZINC000037745152 173667463 /nfs/dbraw/zinc/66/74/63/173667463.db2.gz VUXGNTHVGAUYQI-UHFFFAOYSA-N 1 0 258.347 0.350 10 0 CCAERO CN(CCCOc1ccccc1)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000037811067 173755276 /nfs/dbraw/zinc/75/52/76/173755276.db2.gz SCQVJGBXGPCLGD-JSGCOSHPSA-N 1 0 278.352 0.637 10 0 CCAERO CCNC(=O)C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000037819041 173770612 /nfs/dbraw/zinc/77/06/12/173770612.db2.gz ZEYIFYWFZMKVDW-UHFFFAOYSA-N 1 0 255.362 0.361 10 0 CCAERO O=C(NCC1CC1)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000038042858 174047483 /nfs/dbraw/zinc/04/74/83/174047483.db2.gz SMPZORHSLXJRIL-ZDUSSCGKSA-N 1 0 251.374 0.729 10 0 CCAERO CC[NH2+]CCCNc1ccc(S(N)(=O)=O)cn1 ZINC000038043392 174049950 /nfs/dbraw/zinc/04/99/50/174049950.db2.gz AQLSKCKMUICFBJ-UHFFFAOYSA-N 1 0 258.347 0.141 10 0 CCAERO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CCCS(C)(=O)=O ZINC000038048113 174058773 /nfs/dbraw/zinc/05/87/73/174058773.db2.gz MPJURQMMISIDTP-NXEZZACHSA-N 1 0 264.391 0.314 10 0 CCAERO COC(=O)c1ccc(N[C@@H]2CCCC[C@H]2[NH3+])nn1 ZINC000038051131 174062646 /nfs/dbraw/zinc/06/26/46/174062646.db2.gz MZVAWJPROZKTTK-RKDXNWHRSA-N 1 0 250.302 0.945 10 0 CCAERO [NH3+]Cc1ccc(NC(=O)NC[C@@H]2COCCO2)cc1 ZINC000038063231 174074611 /nfs/dbraw/zinc/07/46/11/174074611.db2.gz ASMMZMJYWBQTPW-GFCCVEGCSA-N 1 0 265.313 0.682 10 0 CCAERO C[C@H](C[NH2+][C@@H]1CC(=O)N(C2CCCC2)C1=O)N(C)C ZINC000038089027 174102436 /nfs/dbraw/zinc/10/24/36/174102436.db2.gz DLBYONXVCGEVPY-ZYHUDNBSSA-N 1 0 267.373 0.596 10 0 CCAERO C[C@H]([NH2+]C1CCC(C(N)=O)CC1)C(=O)NC1CC1 ZINC000038091923 174105677 /nfs/dbraw/zinc/10/56/77/174105677.db2.gz XESUZTYAYAYDDM-IDKOKCKLSA-N 1 0 253.346 0.287 10 0 CCAERO CC[C@@H](C)[NH2+]CC(=O)N1CCN(C(=O)OC)CC1 ZINC000038101849 174118074 /nfs/dbraw/zinc/11/80/74/174118074.db2.gz WJWUBRSXMKTKEI-SNVBAGLBSA-N 1 0 257.334 0.285 10 0 CCAERO OC[C@H](c1ccc2c(c1)OCO2)N1CCC[NH2+]CC1 ZINC000038117479 174126721 /nfs/dbraw/zinc/12/67/21/174126721.db2.gz NILPSSSMXFPQGW-GFCCVEGCSA-N 1 0 264.325 0.744 10 0 CCAERO OC[C@@H](c1ccc2c(c1)OCCO2)N1CC[NH2+]CC1 ZINC000038120892 174128871 /nfs/dbraw/zinc/12/88/71/174128871.db2.gz FCHPROQNILMSBA-LBPRGKRZSA-N 1 0 264.325 0.396 10 0 CCAERO Nc1cccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000040320387 174234567 /nfs/dbraw/zinc/23/45/67/174234567.db2.gz BDIBHYHMYMSODL-GFCCVEGCSA-N 1 0 281.381 0.738 10 0 CCAERO C[NH+](C)[C@H](CNC(=O)C1=NNC(=O)CC1)c1cccs1 ZINC000040413070 174255138 /nfs/dbraw/zinc/25/51/38/174255138.db2.gz LUPRHJXUPAPFBH-SNVBAGLBSA-N 1 0 294.380 0.733 10 0 CCAERO C[NH+](C)C[C@H](NC(=O)C1=NNC(=O)CC1)c1ccccc1 ZINC000040419644 174256718 /nfs/dbraw/zinc/25/67/18/174256718.db2.gz AJQKVMSJESGCBK-ZDUSSCGKSA-N 1 0 288.351 0.672 10 0 CCAERO COc1ccc([C@@H](C)[NH2+]CC(=O)NC(N)=O)cc1OC ZINC000040491162 174292536 /nfs/dbraw/zinc/29/25/36/174292536.db2.gz UJRQSLVNAZHMSH-MRVPVSSYSA-N 1 0 281.312 0.549 10 0 CCAERO CS(=O)(=O)CC[NH2+][C@H]1CCN(CCc2ccccc2)C1 ZINC000040671487 174369293 /nfs/dbraw/zinc/36/92/93/174369293.db2.gz NASRKZNCURUGRE-HNNXBMFYSA-N 1 0 296.436 0.938 10 0 CCAERO CC(C)S(=O)(=O)CCCN1CC2CC1(C[NH3+])C2 ZINC000662304132 414708548 /nfs/dbraw/zinc/70/85/48/414708548.db2.gz JAHHFBQLKTYTPH-UHFFFAOYSA-N 1 0 260.403 0.623 10 0 CCAERO Cn1cc(Br)c(C(=O)NC[C@@H]2CC[NH2+]C2)n1 ZINC000662765474 414775293 /nfs/dbraw/zinc/77/52/93/414775293.db2.gz GMFHHLPDXMHFCQ-SSDOTTSWSA-N 1 0 287.161 0.522 10 0 CCAERO Cn1ncc(Cl)c1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000662424844 414717233 /nfs/dbraw/zinc/71/72/33/414717233.db2.gz YQFBGIOFICSZGR-IONNQARKSA-N 1 0 256.737 0.931 10 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OYTLQMBYZDKCTJ-YUMQZZPRSA-N 1 0 254.252 0.761 10 0 CCAERO CCc1nn(C)cc1C(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662985168 414936702 /nfs/dbraw/zinc/93/67/02/414936702.db2.gz SHWQUSNBTSYVBY-SECBINFHSA-N 1 0 278.278 0.944 10 0 CCAERO CN1C[C@@H](CNC(=O)[C@H]2[NH2+]CCCC2(C)C)CC1=O ZINC000662886375 414868848 /nfs/dbraw/zinc/86/88/48/414868848.db2.gz FRQHZGUDTROBAE-ZYHUDNBSSA-N 1 0 267.373 0.359 10 0 CCAERO COC[C@@]1(C(=O)N2CCO[C@@](C)(C(F)F)C2)CCC[NH2+]1 ZINC000663001503 414942038 /nfs/dbraw/zinc/94/20/38/414942038.db2.gz DXVHYAJHQHPRHI-CHWSQXEVSA-N 1 0 292.326 0.638 10 0 CCAERO COC[C@]1(C(=O)N2CC[C@H]3COC[C@@H]3C2)CCC[NH2+]1 ZINC000662920325 414893104 /nfs/dbraw/zinc/89/31/04/414893104.db2.gz VQOKAZLMINSIAR-OBJOEFQTSA-N 1 0 268.357 0.250 10 0 CCAERO CO[C@@H](CNC(=O)[C@H]1C[NH2+]CCOC1)C1CCCCC1 ZINC000662928636 414898108 /nfs/dbraw/zinc/89/81/08/414898108.db2.gz RPWOHWMLFZYLOH-KBPBESRZSA-N 1 0 284.400 0.934 10 0 CCAERO CCCO[C@H]1CCCN(S(=O)(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000042425719 174725577 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175322577 /nfs/dbraw/zinc/32/25/77/175322577.db2.gz QEKOAHFQKUVBEM-UHFFFAOYSA-N 1 0 256.371 0.741 10 0 CCAERO Fc1ccc(-n2nncc2CN2CC[NH2+]CC2)cc1 ZINC000070460978 175942978 /nfs/dbraw/zinc/94/29/78/175942978.db2.gz MURRDIYQHVQHIY-UHFFFAOYSA-N 1 0 261.304 0.812 10 0 CCAERO C[NH2+]C[C@H]1CCN(c2ccnc(C(=O)N(C)C)c2)C1 ZINC000071148149 176043935 /nfs/dbraw/zinc/04/39/35/176043935.db2.gz LNCGBTMGYHLBIN-LLVKDONJSA-N 1 0 262.357 0.829 10 0 CCAERO CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)c1ccnc(N)c1 ZINC000071193073 176075230 /nfs/dbraw/zinc/07/52/30/176075230.db2.gz NLPNUYJPFINRBH-JTQLQIEISA-N 1 0 284.385 0.236 10 0 CCAERO [NH3+]Cc1nnc(S[C@@H]2CCCCNC2=O)n1C1CC1 ZINC000071375642 176140620 /nfs/dbraw/zinc/14/06/20/176140620.db2.gz JNISQKWUCTWFMV-SECBINFHSA-N 1 0 281.385 0.833 10 0 CCAERO C[NH2+]CCS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000071585355 176210901 /nfs/dbraw/zinc/21/09/01/176210901.db2.gz DPOCAESDDRMLRB-UHFFFAOYSA-N 1 0 259.327 0.697 10 0 CCAERO CN(c1ccc(CC[NH3+])cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000071643020 176239639 /nfs/dbraw/zinc/23/96/39/176239639.db2.gz WTZZYCXNCHLAIJ-NSHDSACASA-N 1 0 286.372 0.950 10 0 CCAERO [NH3+]CCC(=O)OCCc1ccc2oc(=O)[nH]c2c1 ZINC000077430566 177266215 /nfs/dbraw/zinc/26/62/15/177266215.db2.gz XIXIKGMRQRUTMY-UHFFFAOYSA-N 1 0 250.254 0.556 10 0 CCAERO CS(=O)(=O)c1cnn(C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000725242073 545873615 /nfs/dbraw/zinc/87/36/15/545873615.db2.gz DGWVSAJZDFZSKF-ULKQDVFKSA-N 1 0 255.343 0.742 10 0 CCAERO C[C@@H]([NH3+])[C@@H](c1ccccn1)n1cc(S(C)(=O)=O)cn1 ZINC000725252562 545876723 /nfs/dbraw/zinc/87/67/23/545876723.db2.gz NHBLNJKQWZUAEX-SKDRFNHKSA-N 1 0 280.353 0.618 10 0 CCAERO C[NH2+][C@H]1CCCC[C@H]1n1cc(S(C)(=O)=O)cn1 ZINC000725251626 545876854 /nfs/dbraw/zinc/87/68/54/545876854.db2.gz CQODTAOLIREHAH-WDEREUQCSA-N 1 0 257.359 0.990 10 0 CCAERO CS(=O)(=O)c1cnn(-c2ccccc2C(=[NH2+])NO)c1 ZINC000725252084 545876944 /nfs/dbraw/zinc/87/69/44/545876944.db2.gz PIVFTRLGVNREBV-UHFFFAOYSA-N 1 0 280.309 0.580 10 0 CCAERO Cc1cc(-n2cc(S(C)(=O)=O)cn2)ccc1C(N)=[NH2+] ZINC000725252747 545878005 /nfs/dbraw/zinc/87/80/05/545878005.db2.gz WVIGHLSBSUOCFG-UHFFFAOYSA-N 1 0 278.337 0.868 10 0 CCAERO CS(=O)(=O)c1cnn([C@@H](C[NH3+])c2ccncc2)c1 ZINC000725253479 545878905 /nfs/dbraw/zinc/87/89/05/545878905.db2.gz WDZJWPUTICKVGF-NSHDSACASA-N 1 0 266.326 0.230 10 0 CCAERO CSCCn1nnc(C[NH3+])c1-c1ccnn1C ZINC000725257566 545880087 /nfs/dbraw/zinc/88/00/87/545880087.db2.gz REVPXRVMBTXIIT-UHFFFAOYSA-N 1 0 252.347 0.500 10 0 CCAERO O=C1C[C@H]([N@@H+]2CCC[C@@H](CO)C2)C[C@H](C(F)(F)F)N1 ZINC000725263215 545883458 /nfs/dbraw/zinc/88/34/58/545883458.db2.gz XDSYFIITQPAQTN-OPRDCNLKSA-N 1 0 280.290 0.900 10 0 CCAERO C[C@@H](C(=O)N1CC(N2C[C@H]([NH3+])CC2=O)C1)C(C)(C)C ZINC000725272536 545887673 /nfs/dbraw/zinc/88/76/73/545887673.db2.gz OWEJOPSJWAOYLP-VHSXEESVSA-N 1 0 267.373 0.439 10 0 CCAERO COCCNC(=O)N1C[C@H](C)OC2(CC[NH2+]CC2)C1 ZINC000725272614 545888395 /nfs/dbraw/zinc/88/83/95/545888395.db2.gz RPHUNCFLFPUMKJ-NSHDSACASA-N 1 0 271.361 0.185 10 0 CCAERO CCCNC(=O)N1CCC2(CC1)C[NH2+]C[C@H](C)O2 ZINC000725273053 545889720 /nfs/dbraw/zinc/88/97/20/545889720.db2.gz YJSPSXUIOWCBBL-NSHDSACASA-N 1 0 255.362 0.949 10 0 CCAERO COC(=O)[C@@H]1CCCN([C@H]2COC[C@H]2C[NH+](C)C)C1 ZINC000725273853 545889623 /nfs/dbraw/zinc/88/96/23/545889623.db2.gz NCLBYKCDGURWTI-UPJWGTAASA-N 1 0 270.373 0.448 10 0 CCAERO C[NH2+]C[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000092133121 544531605 /nfs/dbraw/zinc/53/16/05/544531605.db2.gz NASADCMWSPEWPV-UWVGGRQHSA-N 1 0 299.396 0.367 10 0 CCAERO CC[N@@H+]1CCC[C@H](NCc2ccc(S(N)(=O)=O)o2)C1 ZINC000088539312 544509191 /nfs/dbraw/zinc/50/91/91/544509191.db2.gz MSZDMFZPSOOTLA-JTQLQIEISA-N 1 0 287.385 0.501 10 0 CCAERO CC(C)C(=O)N1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089456006 544512819 /nfs/dbraw/zinc/51/28/19/544512819.db2.gz SACHBDVFIYQLBY-QWHCGFSZSA-N 1 0 281.400 0.688 10 0 CCAERO CC(C)C(=O)N1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089456001 544512975 /nfs/dbraw/zinc/51/29/75/544512975.db2.gz SACHBDVFIYQLBY-CHWSQXEVSA-N 1 0 281.400 0.688 10 0 CCAERO CN(CC(=O)NC(C)(C)C)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089455564 544512986 /nfs/dbraw/zinc/51/29/86/544512986.db2.gz UXOGKABFURGTEM-QWRGUYRKSA-N 1 0 269.389 0.735 10 0 CCAERO NS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089449261 544513247 /nfs/dbraw/zinc/51/32/47/544513247.db2.gz RMKOOYLOZOEDLD-BXKDBHETSA-N 1 0 297.380 0.648 10 0 CCAERO C[C@H](Cn1cccn1)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089451271 544513750 /nfs/dbraw/zinc/51/37/50/544513750.db2.gz MINWRXINWWZUOL-UTUOFQBUSA-N 1 0 250.346 0.763 10 0 CCAERO [NH3+]C1(C(=O)NC[C@@H]2Cc3ccccc32)CCOCC1 ZINC000127792319 544607975 /nfs/dbraw/zinc/60/79/75/544607975.db2.gz TZOYJDGVNZHTHT-LBPRGKRZSA-N 1 0 260.337 0.950 10 0 CCAERO C[C@]1(CNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)CCCO1 ZINC000133203030 544624511 /nfs/dbraw/zinc/62/45/11/544624511.db2.gz HPVOJMGCDDJKFR-UKRRQHHQSA-N 1 0 299.415 0.702 10 0 CCAERO CC[NH+](CC)CCNC(=O)N1CCC[C@H]1C(=O)NC ZINC000154806765 544673176 /nfs/dbraw/zinc/67/31/76/544673176.db2.gz BIKCNRDVOOZDHX-NSHDSACASA-N 1 0 270.377 0.248 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1cccc(OCC(N)=O)c1 ZINC000136347384 544639531 /nfs/dbraw/zinc/63/95/31/544639531.db2.gz BZUVHIMVIARVDT-LBPRGKRZSA-N 1 0 279.340 0.863 10 0 CCAERO COC[C@@H]([NH3+])C(=O)N(C)Cc1ccc(OC)c(OC)c1 ZINC000159285349 544693185 /nfs/dbraw/zinc/69/31/85/544693185.db2.gz HOZGQFBCOBJWRG-LLVKDONJSA-N 1 0 282.340 0.636 10 0 CCAERO C[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1nccn1C ZINC000182568256 544763251 /nfs/dbraw/zinc/76/32/51/544763251.db2.gz MPILKVYNUQZRHR-OLZOCXBDSA-N 1 0 266.389 0.918 10 0 CCAERO C[C@@H](CNC(=O)N(C)CCC[NH+](C)C)N1CCOCC1 ZINC000185365694 544775610 /nfs/dbraw/zinc/77/56/10/544775610.db2.gz LOFMLKITEROXSB-ZDUSSCGKSA-N 1 0 286.420 0.300 10 0 CCAERO CNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000227427758 544834182 /nfs/dbraw/zinc/83/41/82/544834182.db2.gz NAOVQTFBVWFVTO-IJLUTSLNSA-N 1 0 267.373 0.346 10 0 CCAERO Cc1c(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)ccn1C ZINC000195267107 544812295 /nfs/dbraw/zinc/81/22/95/544812295.db2.gz AAUPQYGMASKKKY-LBPRGKRZSA-N 1 0 265.357 0.736 10 0 CCAERO COC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000221978219 544817384 /nfs/dbraw/zinc/81/73/84/544817384.db2.gz XWKMSBPKZOSGTH-WDEREUQCSA-N 1 0 254.330 0.350 10 0 CCAERO CNC(=O)[C@H](C)CN(C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000227431680 544835176 /nfs/dbraw/zinc/83/51/76/544835176.db2.gz BUQVOINBQZVVGN-GMTAPVOTSA-N 1 0 255.362 0.202 10 0 CCAERO Cc1noc(CCNC(=O)[C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000227425490 544833989 /nfs/dbraw/zinc/83/39/89/544833989.db2.gz IEIWQTOEBOJDKG-VHSXEESVSA-N 1 0 252.318 0.412 10 0 CCAERO CCCCOC[C@@H](O)C[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000227892792 544838598 /nfs/dbraw/zinc/83/85/98/544838598.db2.gz PVQFUMXPTYCHGN-RYUDHWBXSA-N 1 0 279.402 0.331 10 0 CCAERO Cc1cnc([C@@H](C)NC(=O)C[C@H]2C[NH2+]CCO2)o1 ZINC000231743164 544860604 /nfs/dbraw/zinc/86/06/04/544860604.db2.gz XUXNIZLXDPZNSV-ZJUUUORDSA-N 1 0 253.302 0.539 10 0 CCAERO CNC(=O)[C@H]1CCCN(C(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000232281958 544863082 /nfs/dbraw/zinc/86/30/82/544863082.db2.gz PTHNCPCUHNTCSE-WDEREUQCSA-N 1 0 255.362 0.344 10 0 CCAERO COCC1(C(=O)N[C@H]2CCC[C@H](O)C2)CC[NH2+]CC1 ZINC000234679713 544869405 /nfs/dbraw/zinc/86/94/05/544869405.db2.gz CGSMOHZBUNZBPY-RYUDHWBXSA-N 1 0 270.373 0.422 10 0 CCAERO C[C@]1(C(N)=O)CCN(C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000235727081 544877470 /nfs/dbraw/zinc/87/74/70/544877470.db2.gz KNHSOEJKKLZCJH-MFKMUULPSA-N 1 0 253.346 0.100 10 0 CCAERO CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000236815225 544887036 /nfs/dbraw/zinc/88/70/36/544887036.db2.gz IVLBYJVRNSTXOY-GRYCIOLGSA-N 1 0 253.346 0.241 10 0 CCAERO CN1C[C@H](NC(=O)[C@@H]2CCC[C@H]2C[NH3+])CCC1=O ZINC000250636856 544923911 /nfs/dbraw/zinc/92/39/11/544923911.db2.gz SFUPUKVZORAESP-HBNTYKKESA-N 1 0 253.346 0.098 10 0 CCAERO C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000251574334 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O[C@@H]1C[C@H]2CN(C[C@H]3CCC[C@@H](O)C3)CC[N@@H+]2C1 ZINC000405311194 545092067 /nfs/dbraw/zinc/09/20/67/545092067.db2.gz OWENXOQLKRXSQI-IGQOVBAYSA-N 1 0 254.374 0.288 10 0 CCAERO Cc1ncsc1CCN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000572884414 334887858 /nfs/dbraw/zinc/88/78/58/334887858.db2.gz DVBHXBMIVMDDKK-WDEREUQCSA-N 1 0 253.371 0.667 10 0 CCAERO C[C@H]1CN(C(=O)CCNC(=O)c2ccco2)C[C@H]1[NH3+] ZINC000577512424 335362898 /nfs/dbraw/zinc/36/28/98/335362898.db2.gz RHLHNFATDFVGJR-VHSXEESVSA-N 1 0 265.313 0.205 10 0 CCAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000177599352 335375617 /nfs/dbraw/zinc/37/56/17/335375617.db2.gz OSLKRQQDDDPGEH-JQWIXIFHSA-N 1 0 280.372 0.095 10 0 CCAERO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000384954965 336134992 /nfs/dbraw/zinc/13/49/92/336134992.db2.gz VUPFUGMFVWQBKI-GUBZILKMSA-N 1 0 257.334 0.066 10 0 CCAERO C[C@H]1[C@H](O)CCC[N@@H+]1CCn1nc2ccccn2c1=O ZINC000384971610 336135319 /nfs/dbraw/zinc/13/53/19/336135319.db2.gz YBXILXMRGZISOO-NWDGAFQWSA-N 1 0 276.340 0.341 10 0 CCAERO CC(C)CN1C[C@@H](C(=O)N2CCCC[C@H]2C[NH3+])CC1=O ZINC000581720913 336137182 /nfs/dbraw/zinc/13/71/82/336137182.db2.gz OPLUDIZJWVOMEC-STQMWFEESA-N 1 0 281.400 0.831 10 0 CCAERO CC(C)[NH2+][C@@H](CCN1CC[NH+](C2CC2)CC1)C(=O)[O-] ZINC000062527120 519734016 /nfs/dbraw/zinc/73/40/16/519734016.db2.gz NJFWINILQJQEBG-ZDUSSCGKSA-N 1 0 269.389 0.608 10 0 CCAERO CCC(CC)N1C(=O)C[C@H]([NH2+]C[C@H]2CCOC2)C1=O ZINC000061146610 521562875 /nfs/dbraw/zinc/56/28/75/521562875.db2.gz VVNPDMMYNDHDLS-PWSUYJOCSA-N 1 0 268.357 0.929 10 0 CCAERO C[NH2+]C(C)(C)C(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000061317127 521933211 /nfs/dbraw/zinc/93/32/11/521933211.db2.gz RLBAJEVKWBEINE-SNVBAGLBSA-N 1 0 253.346 0.254 10 0 CCAERO C[NH2+]CCS(=O)(=O)N1CCCc2ccccc21 ZINC000049630010 522013108 /nfs/dbraw/zinc/01/31/08/522013108.db2.gz DLFHJOPGHZXTAU-UHFFFAOYSA-N 1 0 254.355 0.988 10 0 CCAERO CC[C@@H](C)N(C)C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261911182 535545294 /nfs/dbraw/zinc/54/52/94/535545294.db2.gz JADOLZHFCXDISI-RTXFEEFZSA-N 1 0 264.373 0.980 10 0 CCAERO COC(=O)c1cccc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000415136680 534263192 /nfs/dbraw/zinc/26/31/92/534263192.db2.gz DAFGOCNQTFDKTD-UONOGXRCSA-N 1 0 276.336 0.646 10 0 CCAERO CC(C)(C(=O)NC[C@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000262217123 534353080 /nfs/dbraw/zinc/35/30/80/534353080.db2.gz JDTMPWHUHIWOAV-YPMHNXCESA-N 1 0 262.353 0.661 10 0 CCAERO CC(C)C[C@@H](CN(C)C)[NH2+]CCN1CCOCC1 ZINC000049556044 519775771 /nfs/dbraw/zinc/77/57/71/519775771.db2.gz MXCPEANMBXLENR-AWEZNQCLSA-N 1 0 257.422 0.885 10 0 CCAERO CCCN1CCN(C(=O)[C@@H]2[NH2+]CCC[C@@H]2C)CC1 ZINC000051791503 519856516 /nfs/dbraw/zinc/85/65/16/519856516.db2.gz LVCTXMRICKVAHW-QWHCGFSZSA-N 1 0 253.390 0.929 10 0 CCAERO CC[NH2+]CCC(=O)Nc1ccc(NS(C)(=O)=O)cc1 ZINC000061292328 519918268 /nfs/dbraw/zinc/91/82/68/519918268.db2.gz CGHGXIHWDBTOJQ-UHFFFAOYSA-N 1 0 285.369 0.996 10 0 CCAERO CC[NH2+]C[C@H](C)C(=O)N1CCCC[C@H]1C(=O)NC ZINC000061236436 519960307 /nfs/dbraw/zinc/96/03/07/519960307.db2.gz OWFNIPOLYLFEQP-QWRGUYRKSA-N 1 0 255.362 0.359 10 0 CCAERO CC[NH2+]C[C@H](C)C(=O)N1CCCC[C@@H]1C(=O)NC ZINC000061236427 519960385 /nfs/dbraw/zinc/96/03/85/519960385.db2.gz OWFNIPOLYLFEQP-WDEREUQCSA-N 1 0 255.362 0.359 10 0 CCAERO CCC[NH2+][C@@H](CN(C)CC1CC[NH+](C)CC1)C(=O)[O-] ZINC000063121670 520006088 /nfs/dbraw/zinc/00/60/88/520006088.db2.gz UUPWOXYDMBFNIR-ZDUSSCGKSA-N 1 0 271.405 0.713 10 0 CCAERO CC[NH2+][C@@H](CCOc1cccc(OC)c1)C(N)=O ZINC000062548476 520093090 /nfs/dbraw/zinc/09/30/90/520093090.db2.gz NKHRPQYEPDCUTJ-LBPRGKRZSA-N 1 0 252.314 0.928 10 0 CCAERO CC[NH2+][C@H](C)CC(=O)N1CCCC[C@H]1C(=O)NC ZINC000061272213 520163434 /nfs/dbraw/zinc/16/34/34/520163434.db2.gz TUFHHJIJPOHPAE-MNOVXSKESA-N 1 0 255.362 0.502 10 0 CCAERO CC[NH2+][C@H](CCSc1nnc2ccccn21)C(N)=O ZINC000062604335 520194685 /nfs/dbraw/zinc/19/46/85/520194685.db2.gz QPWLIUMBFWAFSN-SECBINFHSA-N 1 0 279.369 0.675 10 0 CCAERO CC[NH2+][C@H](Cn1ccn(C)c(=O)c1=O)C(C)(C)C ZINC000061796870 520205992 /nfs/dbraw/zinc/20/59/92/520205992.db2.gz OYBOJRDOSHJVOA-SNVBAGLBSA-N 1 0 253.346 0.571 10 0 CCAERO CCN(CC(=O)N(C)C)C(=O)[C@@H]1CCC[C@H](C[NH3+])C1 ZINC000055147489 520299969 /nfs/dbraw/zinc/29/99/69/520299969.db2.gz HDVZNNLLHBIJRN-NWDGAFQWSA-N 1 0 269.389 0.688 10 0 CCAERO CCCCN(CC(N)=O)C(=O)[C@@H]1CCC[C@H]([NH3+])[C@@H]1C ZINC000055138432 520448517 /nfs/dbraw/zinc/44/85/17/520448517.db2.gz VWTLQBWKCROSDX-UTUOFQBUSA-N 1 0 269.389 0.864 10 0 CCAERO CCN(CC)C(=O)[C@@H](C)[NH2+]CCN(C)CCOC ZINC000061379023 520519684 /nfs/dbraw/zinc/51/96/84/520519684.db2.gz JCTZFHQNLUGNDG-GFCCVEGCSA-N 1 0 259.394 0.411 10 0 CCAERO CCOC(=O)CNC(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000049231680 520785653 /nfs/dbraw/zinc/78/56/53/520785653.db2.gz UFVDJAUDDWZBBZ-SNVBAGLBSA-N 1 0 257.334 0.333 10 0 CCAERO CCN(CCC(=O)OC)C(=O)[C@H]([NH3+])CCSC ZINC000157353336 520991436 /nfs/dbraw/zinc/99/14/36/520991436.db2.gz RZAGRPOWPWUENT-SECBINFHSA-N 1 0 262.375 0.478 10 0 CCAERO CCCn1c(S[C@@H](C[NH3+])C(F)(F)F)n[nH]c1=O ZINC000061594764 521634802 /nfs/dbraw/zinc/63/48/02/521634802.db2.gz CBTIOKJHFPQTGN-YFKPBYRVSA-N 1 0 270.280 0.963 10 0 CCAERO CCCn1cc(S(=O)(=O)N2CCC[C@@H]([NH3+])C2)nc1C ZINC000050265855 521654787 /nfs/dbraw/zinc/65/47/87/521654787.db2.gz VWRNNLGPRYHMFL-LLVKDONJSA-N 1 0 286.401 0.713 10 0 CCAERO CCCn1ccnc(N2C[C@H](C)[NH2+][C@@H](C)C2)c1=O ZINC000061761764 521659938 /nfs/dbraw/zinc/65/99/38/521659938.db2.gz RTVZXGSKEVVQLT-QWRGUYRKSA-N 1 0 250.346 0.840 10 0 CCAERO CCN1CCN(C(=O)[C@H]2CCC[C@@H](C)[C@@H]2[NH3+])CC1 ZINC000055124648 521668676 /nfs/dbraw/zinc/66/86/76/521668676.db2.gz LAGFGCPVGYSIIC-AGIUHOORSA-N 1 0 253.390 0.914 10 0 CCAERO C[NH+](C)C[C@@H]1CCCN1c1ccc(N)cc1C(N)=O ZINC000061655735 521845771 /nfs/dbraw/zinc/84/57/71/521845771.db2.gz DUFRIMDYFQBVIT-NSHDSACASA-N 1 0 262.357 0.898 10 0 CCAERO C[NH2+]Cc1ccc(OCCN2CCS(=O)CC2)cc1 ZINC000052516313 522122249 /nfs/dbraw/zinc/12/22/49/522122249.db2.gz LJGRLHPGPMDDTB-UHFFFAOYSA-N 1 0 282.409 0.849 10 0 CCAERO CC[C@@H](Oc1cc(OC)ccc1CC[NH3+])C(N)=O ZINC000061678448 523038407 /nfs/dbraw/zinc/03/84/07/523038407.db2.gz MVSHGXLNDKGCPL-LLVKDONJSA-N 1 0 252.314 0.839 10 0 CCAERO COCCCNC(=O)Cn1nc(C)c(C[NH3+])c1C ZINC000049283384 523331044 /nfs/dbraw/zinc/33/10/44/523331044.db2.gz RRZMMLPOYAOWTG-UHFFFAOYSA-N 1 0 254.334 0.111 10 0 CCAERO CCn1cc(N)cc1C(=O)NCC[N@H+](C)CCOC ZINC000061374582 523400132 /nfs/dbraw/zinc/40/01/32/523400132.db2.gz KYMRGWQPAFVECZ-UHFFFAOYSA-N 1 0 268.361 0.398 10 0 CCAERO CN(Cc1cccnc1)C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262242105 523415198 /nfs/dbraw/zinc/41/51/98/523415198.db2.gz KZYQBXQVHTWCMD-CABCVRRESA-N 1 0 299.378 0.777 10 0 CCAERO CN(Cc1ccco1)S(=O)(=O)C1CC[NH2+]CC1 ZINC000049643331 523435276 /nfs/dbraw/zinc/43/52/76/523435276.db2.gz HJJDPYPGLKHUNY-UHFFFAOYSA-N 1 0 258.343 0.793 10 0 CCAERO COCCC[C@H](C[NH2+]CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000054639398 523492917 /nfs/dbraw/zinc/49/29/17/523492917.db2.gz FBABGKFPWXOXQO-CHWSQXEVSA-N 1 0 293.429 0.700 10 0 CCAERO CN(c1ccccn1)S(=O)(=O)C1CC[NH2+]CC1 ZINC000049641405 523656358 /nfs/dbraw/zinc/65/63/58/523656358.db2.gz JHUFYKMBCWTWJI-UHFFFAOYSA-N 1 0 255.343 0.600 10 0 CCAERO CCc1cc(=O)[nH]c(CN2CCC[N@@H+]([C@@H](C)CO)CC2)n1 ZINC000364953137 523831735 /nfs/dbraw/zinc/83/17/35/523831735.db2.gz DYOLKHMKJUHINY-LBPRGKRZSA-N 1 0 294.399 0.633 10 0 CCAERO CC[C@H](C)[NH+]1CCN(CCn2cc(N)cn2)CC1 ZINC000055063544 523953891 /nfs/dbraw/zinc/95/38/91/523953891.db2.gz IKPQFOIJVMBUBB-LBPRGKRZSA-N 1 0 251.378 0.881 10 0 CCAERO CC[C@H](C)[NH+]1CCN(CC[C@](C)([NH3+])C(=O)[O-])CC1 ZINC000055070286 523954386 /nfs/dbraw/zinc/95/43/86/523954386.db2.gz DACGKSVMCJDLOZ-AAEUAGOBSA-N 1 0 257.378 0.595 10 0 CCAERO CC[C@H](C)[NH+]1CCN(C[C@@H]([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000055070407 523954437 /nfs/dbraw/zinc/95/44/37/523954437.db2.gz CGSNXJQKVRLPJW-WCQYABFASA-N 1 0 269.389 0.608 10 0 CCAERO CC[C@H](C)[NH+]1CCN(C[C@]2(CO)CCOC2)CC1 ZINC000055072927 523955140 /nfs/dbraw/zinc/95/51/40/523955140.db2.gz JJAUBZBGXOHVKJ-KBPBESRZSA-N 1 0 256.390 0.802 10 0 CCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N2CCC[C@@H]2CCCO)C1 ZINC000052763645 524009301 /nfs/dbraw/zinc/00/93/01/524009301.db2.gz ZEJJXSZILXZYSE-IJLUTSLNSA-N 1 0 256.346 0.127 10 0 CCAERO COc1ccc(C[NH3+])cc1OCCCS(C)(=O)=O ZINC000063014285 524016968 /nfs/dbraw/zinc/01/69/68/524016968.db2.gz XOGFQVVICZBYPT-UHFFFAOYSA-N 1 0 273.354 0.967 10 0 CCAERO Cc1cc(C)c(C(N)=[NH2+])c(N2CCS(=O)CC2)n1 ZINC000049691859 524218175 /nfs/dbraw/zinc/21/81/75/524218175.db2.gz PJXZDVXVLZQWRV-UHFFFAOYSA-N 1 0 266.370 0.551 10 0 CCAERO C[C@H]1CCN(c2ccc(S(N)(=O)=O)cn2)C[C@@H]1C[NH3+] ZINC000163987106 524304953 /nfs/dbraw/zinc/30/49/53/524304953.db2.gz PYHWQKQBFSHODN-UWVGGRQHSA-N 1 0 284.385 0.150 10 0 CCAERO C[C@H](C[NH+]1CCCCC1)NC(=O)c1c[nH]nc1N ZINC000049503142 524331760 /nfs/dbraw/zinc/33/17/60/524331760.db2.gz GAMYBADOQKEXMJ-SECBINFHSA-N 1 0 251.334 0.596 10 0 CCAERO C[C@H](NC(=O)C(=O)NCC[NH3+])c1cccc(F)c1 ZINC000049528229 524881916 /nfs/dbraw/zinc/88/19/16/524881916.db2.gz RRIUAKOLBXEWQP-QMMMGPOBSA-N 1 0 253.277 0.078 10 0 CCAERO Cc1cc(N)cnc1N1CCN(CC[NH+](C)C)CC1 ZINC000061643108 525038104 /nfs/dbraw/zinc/03/81/04/525038104.db2.gz VXFVCIRINOYUKG-UHFFFAOYSA-N 1 0 263.389 0.656 10 0 CCAERO CC(=O)c1ccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)s1 ZINC000262231677 534834223 /nfs/dbraw/zinc/83/42/23/534834223.db2.gz KGVINKRZKKCMLT-RKDXNWHRSA-N 1 0 268.338 0.261 10 0 CCAERO Cc1cc(NC(=O)CC[N@@H+]2CCCC[C@H](CO)C2)no1 ZINC000363480320 526101716 /nfs/dbraw/zinc/10/17/16/526101716.db2.gz MJLALEZAXYMBMS-LBPRGKRZSA-N 1 0 281.356 0.828 10 0 CCAERO C[C@H](C(=O)Nc1ccc(N2CCOCC2)nc1)C1C[NH2+]C1 ZINC000164046006 526142666 /nfs/dbraw/zinc/14/26/66/526142666.db2.gz AMYRRXGTYMNXRF-NSHDSACASA-N 1 0 290.367 0.712 10 0 CCAERO C[C@@H](c1cccs1)N(C)[C@@H]1CS(=O)(=O)C[C@@H]1[NH3+] ZINC000054493577 526145953 /nfs/dbraw/zinc/14/59/53/526145953.db2.gz PPSUJPYLAANUKB-LPEHRKFASA-N 1 0 274.411 0.865 10 0 CCAERO Cc1nnc(S[C@H](C)C(=O)N2CC[NH2+]CC2)o1 ZINC000051038678 526389740 /nfs/dbraw/zinc/38/97/40/526389740.db2.gz NVJZJVXTLOAEJS-SSDOTTSWSA-N 1 0 256.331 0.290 10 0 CCAERO c1cn(CCN2CCOCC2)c(C[NH2+]C2CC2)n1 ZINC000051015002 526534118 /nfs/dbraw/zinc/53/41/18/526534118.db2.gz HHHFXOYUELLMEY-UHFFFAOYSA-N 1 0 250.346 0.467 10 0 CCAERO O=C(NCc1cccc(OC(F)F)c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000154337570 526724110 /nfs/dbraw/zinc/72/41/10/526724110.db2.gz NNGUQNWDVWGLRV-ONGXEEELSA-N 1 0 286.278 0.627 10 0 CCAERO NC(=O)[C@H](CCN1Cc2ccccc2C1)[NH2+]C1CC1 ZINC000062531249 526991973 /nfs/dbraw/zinc/99/19/73/526991973.db2.gz XMJUNBQPEAGXPH-AWEZNQCLSA-N 1 0 259.353 0.998 10 0 CCAERO O=S(=O)(C[C@@H]1CCCC[NH2+]1)NCc1ccncc1 ZINC000049630926 527181555 /nfs/dbraw/zinc/18/15/55/527181555.db2.gz ACWIHJFPRWCIDI-LBPRGKRZSA-N 1 0 269.370 0.643 10 0 CCAERO O=S(=O)(C[C@@H]1CCCC[NH2+]1)NCc1ccccn1 ZINC000049630870 527181705 /nfs/dbraw/zinc/18/17/05/527181705.db2.gz CNDIDGCGMDZKAK-LBPRGKRZSA-N 1 0 269.370 0.643 10 0 CCAERO O=S(=O)(C[C@H]1CCCC[NH2+]1)Nc1cccnc1 ZINC000049630575 527185594 /nfs/dbraw/zinc/18/55/94/527185594.db2.gz IFILKNYZLSHFSL-LLVKDONJSA-N 1 0 255.343 0.965 10 0 CCAERO O=S(=O)(C[C@H]1CCC[NH2+]1)NCCc1ccccn1 ZINC000049641352 527186446 /nfs/dbraw/zinc/18/64/46/527186446.db2.gz QUWZEUFJDVGZRQ-GFCCVEGCSA-N 1 0 269.370 0.296 10 0 CCAERO O=S(=O)(NCc1ccncc1)[C@H]1CCC[NH2+]C1 ZINC000049642277 527233796 /nfs/dbraw/zinc/23/37/96/527233796.db2.gz GYKBPJMJGQOTQI-NSHDSACASA-N 1 0 255.343 0.253 10 0 CCAERO [NH3+]C[C@H]1CCC[C@@H](C(=O)NCCN2CCOCC2)C1 ZINC000055145794 527235311 /nfs/dbraw/zinc/23/53/11/527235311.db2.gz RICWUZLFEHYQOM-QWHCGFSZSA-N 1 0 269.389 0.200 10 0 CCAERO O=S(=O)([C@@H]1CC[N@H+](CCn2ccnc2)C1)N1CCCC1 ZINC000163364256 527262882 /nfs/dbraw/zinc/26/28/82/527262882.db2.gz QVSQCRDWBQXNHX-CYBMUJFWSA-N 1 0 298.412 0.383 10 0 CCAERO NC(=O)CN(Cc1cccnc1C[NH3+])C1CCCC1 ZINC000061656780 527265329 /nfs/dbraw/zinc/26/53/29/527265329.db2.gz LRNQWLLSSZJMQS-UHFFFAOYSA-N 1 0 262.357 0.770 10 0 CCAERO NNc1ccc(C(=O)N2CCO[C@@H]3CCC[C@@H]32)c[nH+]1 ZINC000051114110 527275640 /nfs/dbraw/zinc/27/56/40/527275640.db2.gz DNDBWGNZTWJDDN-WDEREUQCSA-N 1 0 262.313 0.761 10 0 CCAERO O=S1(=O)CC[C@H](C[NH2+]CCOCC(F)(F)F)C1 ZINC000049311040 527312200 /nfs/dbraw/zinc/31/22/00/527312200.db2.gz QWXJUDXTFPBZNQ-MRVPVSSYSA-N 1 0 275.292 0.590 10 0 CCAERO Cc1ncsc1CNS(=O)(=O)C1CC[NH2+]CC1 ZINC000069051274 527510898 /nfs/dbraw/zinc/51/08/98/527510898.db2.gz UVDBLBSCWUIWTO-UHFFFAOYSA-N 1 0 275.399 0.623 10 0 CCAERO Cc1ccc(C[N@@H+]2CC[C@@](O)(Cn3ccnn3)C2)o1 ZINC000671491557 545249608 /nfs/dbraw/zinc/24/96/08/545249608.db2.gz ZVYXYCWCODOBOO-ZDUSSCGKSA-N 1 0 262.313 0.817 10 0 CCAERO CCCS(=O)(=O)N1CC(OC2CC[NH2+]CC2)C1 ZINC000675055448 545320719 /nfs/dbraw/zinc/32/07/19/545320719.db2.gz TYRAODRWSKHBAF-UHFFFAOYSA-N 1 0 262.375 0.179 10 0 CCAERO CCOC(=O)CC(=O)Nc1c(C)nn(C)c1C1C[NH2+]C1 ZINC000675079978 545321253 /nfs/dbraw/zinc/32/12/53/545321253.db2.gz KHOYIXZPWVXEBK-UHFFFAOYSA-N 1 0 280.328 0.307 10 0 CCAERO Cn1cc(Br)c(CC2=C[C@H](N)C[NH2+]C2)n1 ZINC000675079039 545321379 /nfs/dbraw/zinc/32/13/79/545321379.db2.gz VEPXTCHAXSBVLF-QMMMGPOBSA-N 1 0 271.162 0.582 10 0 CCAERO COC[C@@H]([NH3+])c1cnnn1CC(=O)NCc1ccccc1 ZINC000675080422 545321423 /nfs/dbraw/zinc/32/14/23/545321423.db2.gz QBQAMJHRKMZIBV-GFCCVEGCSA-N 1 0 289.339 0.241 10 0 CCAERO CCOCCC1(CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CCCC1 ZINC000262548242 535482308 /nfs/dbraw/zinc/48/23/08/535482308.db2.gz SMYPUSFIKWVTER-STQMWFEESA-N 1 0 284.400 0.812 10 0 CCAERO O=C1NCC[C@H]1[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000676234718 545337698 /nfs/dbraw/zinc/33/76/98/545337698.db2.gz LBMRPNTXOHKANV-CYBMUJFWSA-N 1 0 256.309 0.850 10 0 CCAERO CCNC(=O)NC(=O)[C@H](C)N1CCC([NH+]2CCCC2)CC1 ZINC000104079915 535792366 /nfs/dbraw/zinc/79/23/66/535792366.db2.gz CTFVCURKDQJYBS-LBPRGKRZSA-N 1 0 296.415 0.781 10 0 CCAERO CN1CCO[C@@H](C[N@H+](C)Cc2ccc(CO)cc2)C1 ZINC000679317925 545406896 /nfs/dbraw/zinc/40/68/96/545406896.db2.gz HVGVHSONRXUWSM-OAHLLOKOSA-N 1 0 264.369 0.941 10 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CKAOPVRPXBDIAM-GFCCVEGCSA-N 1 0 299.444 0.951 10 0 CCAERO CN1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1ncc[nH]1 ZINC000907563600 616221076 /nfs/dbraw/zinc/22/10/76/616221076.db2.gz HLAIUHSBBPBLPI-LBPRGKRZSA-N 1 0 289.383 0.321 10 0 CCAERO COC(=O)N[C@@H](C(=O)NCCC[NH+](C)C)C(C)C ZINC000108462678 616901833 /nfs/dbraw/zinc/90/18/33/616901833.db2.gz RSYHPZXTANKZSR-SNVBAGLBSA-N 1 0 259.350 0.435 10 0 CCAERO COC(=O)N[C@@H](C(=O)NC[C@@H]1CCC[NH2+]C1)C(C)C ZINC000129776943 616902391 /nfs/dbraw/zinc/90/23/91/616902391.db2.gz ABCMSYVLLMMMCZ-GHMZBOCLSA-N 1 0 271.361 0.483 10 0 CCAERO O=S1(=O)C[C@@H](O)[C@H](NCc2ccc(F)c(Cl)c2)C1 ZINC000053157311 625331166 /nfs/dbraw/zinc/33/11/66/625331166.db2.gz HNLQPRWQDLKTEV-GHMZBOCLSA-N 1 0 293.747 0.727 10 0 CCAERO C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]C/C=C\Cl ZINC000309782838 625408235 /nfs/dbraw/zinc/40/82/35/625408235.db2.gz NIYCRISWNABALY-QBNQYXCASA-N 1 0 266.794 0.999 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1n[nH]nc1C ZINC000194252869 625581758 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O=C(NC[C@@H](O)C(F)(F)F)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000236533106 623524541 /nfs/dbraw/zinc/52/45/41/623524541.db2.gz QESBNQDOVBLDFS-IYSWYEEDSA-N 1 0 294.195 0.568 10 0 CCAERO CO[C@@H]1C[C@H]([NH2+]C[C@H]2CN(C)CCO2)C12CCC2 ZINC000308372880 624869255 /nfs/dbraw/zinc/86/92/55/624869255.db2.gz RLTPAPRTGWOJPT-RWMBFGLXSA-N 1 0 254.374 0.864 10 0 CCAERO N#CC(C#N)=CNc1ccc(Cl)c[n+]1CC(N)=O ZINC000083319097 624894926 /nfs/dbraw/zinc/89/49/26/624894926.db2.gz MDFQYNZCYHSWNB-UHFFFAOYSA-N 1 0 261.672 0.437 10 0 CCAERO C[C@@H]1CN(C(=O)C2(O)CCSCC2)C[C@H]1[NH+](C)C ZINC000334863559 625772682 /nfs/dbraw/zinc/77/26/82/625772682.db2.gz VPIFAIZOAJLNRN-GHMZBOCLSA-N 1 0 272.414 0.653 10 0 CCAERO O=C(N1CCC(Nc2cccnn2)CC1)[C@]1(F)CC[NH2+]C1 ZINC000167911575 631398400 /nfs/dbraw/zinc/39/84/00/631398400.db2.gz OQDPPZBVKTXRNL-AWEZNQCLSA-N 1 0 293.346 0.581 10 0 CCAERO [NH3+]C[C@H]1CCCC[C@H]1C(=O)NCCC(=O)N1CCOCC1 ZINC000124163449 631400993 /nfs/dbraw/zinc/40/09/93/631400993.db2.gz CQPKWQPCVUVEPU-CHWSQXEVSA-N 1 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RBBWLJCFVICKQV-ZYHUDNBSSA-N 1 0 279.340 0.881 10 0 CCAERO Cc1n[nH]cc1S(=O)(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000040830726 633531506 /nfs/dbraw/zinc/53/15/06/633531506.db2.gz MCFJNZWEGSNAIF-LLVKDONJSA-N 1 0 288.417 0.973 10 0 CCAERO O=C(N[C@@H]1CCc2ncnn2C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900681628 634070730 /nfs/dbraw/zinc/07/07/30/634070730.db2.gz VBQITUVHYPCGLJ-AGIUHOORSA-N 1 0 289.383 0.726 10 0 CCAERO O=S(=O)(NCC[C@@H]1CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000044511119 636838776 /nfs/dbraw/zinc/83/87/76/636838776.db2.gz JSGVPSSOOFCBSG-WDEREUQCSA-N 1 0 262.375 0.227 10 0 CCAERO CSCC[C@H](C)NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000157065750 636901049 /nfs/dbraw/zinc/90/10/49/636901049.db2.gz WZZNRLSVRMEUOL-NSHDSACASA-N 1 0 273.446 0.928 10 0 CCAERO [NH3+]CC1(C(=O)NC[C@@H](O)C(F)(F)F)CCCC1 ZINC000226320662 636977054 /nfs/dbraw/zinc/97/70/54/636977054.db2.gz OUTVDVCUKHOTLT-SSDOTTSWSA-N 1 0 254.252 0.545 10 0 CCAERO OCC(CO)[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000087753150 637146838 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954626845 /nfs/dbraw/zinc/62/68/45/954626845.db2.gz AGCRAPDOXRVLOC-DNOWBOINSA-N 1 0 284.400 0.876 10 0 CCAERO O=C([O-])[C@@H]1C[C@@H](O)C[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000695389460 976796092 /nfs/dbraw/zinc/79/60/92/976796092.db2.gz LBXXUVQJESYEBO-CHWSQXEVSA-N 1 0 270.373 0.630 10 0 CCAERO CC(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)C1 ZINC000091769210 349474894 /nfs/dbraw/zinc/47/48/94/349474894.db2.gz FRMFBSQIWJMPLL-MCIONIFRSA-N 1 0 296.415 0.779 10 0 CCAERO COCc1nc(CS(C)(=O)=O)sc1C[NH3+] ZINC000082445913 178023357 /nfs/dbraw/zinc/02/33/57/178023357.db2.gz JPTWRWCWWCMMSD-UHFFFAOYSA-N 1 0 250.345 0.293 10 0 CCAERO CCN1CCN(c2nc(COC)c(C[NH3+])s2)CC1 ZINC000082455966 178033729 /nfs/dbraw/zinc/03/37/29/178033729.db2.gz PBHSMDDOQZJVCG-UHFFFAOYSA-N 1 0 270.402 0.890 10 0 CCAERO NC(=O)[C@@H](c1ccc(F)c(Cl)c1)N1CC[NH2+]CC1 ZINC000082577084 178117102 /nfs/dbraw/zinc/11/71/02/178117102.db2.gz VHYJDJFCTRYCCV-LLVKDONJSA-N 1 0 271.723 0.911 10 0 CCAERO 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287.404 0.775 10 0 CCAERO C[NH+](C)C[C@H]1CN(C(=O)c2ccc(=O)[nH]c2)CCO1 ZINC000116798148 349874133 /nfs/dbraw/zinc/87/41/33/349874133.db2.gz RTFBZROCEQJTGJ-NSHDSACASA-N 1 0 265.313 0.190 10 0 CCAERO Cc1n[nH]c(C)c1CC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116988871 349878581 /nfs/dbraw/zinc/87/85/81/349878581.db2.gz OTEFKZXKFWBBEG-GFCCVEGCSA-N 1 0 280.372 0.358 10 0 CCAERO CC[C@@H]1CN(C(=O)CCOC)CC[N@@H+]1CCOC ZINC000117309774 349884671 /nfs/dbraw/zinc/88/46/71/349884671.db2.gz LYUQJOSXTAGYEJ-GFCCVEGCSA-N 1 0 258.362 0.592 10 0 CCAERO CCC[C@H]([NH3+])C(=O)Nc1cn(C(C)(C)C(=O)OC)cn1 ZINC000117150473 349880903 /nfs/dbraw/zinc/88/09/03/349880903.db2.gz OPXIMSVPGDLTKJ-VIFPVBQESA-N 1 0 282.344 0.857 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CNC(=O)C1 ZINC000118899029 349911322 /nfs/dbraw/zinc/91/13/22/349911322.db2.gz JJQKEOMDBQROLC-GHMZBOCLSA-N 1 0 253.346 0.065 10 0 CCAERO CC[C@H](NC(=O)[C@]12CCC[C@H]1C[NH2+]C2)C(=O)OC ZINC000601971900 362445178 /nfs/dbraw/zinc/44/51/78/362445178.db2.gz XEKZLLFUVUFDOE-KWBADKCTSA-N 1 0 254.330 0.444 10 0 CCAERO CN(CC(=O)N1CC[NH2+]CC1)C[C@@H]1COC2(CCCC2)O1 ZINC000038031472 282346491 /nfs/dbraw/zinc/34/64/91/282346491.db2.gz PJTHSCBZIQYYIP-CYBMUJFWSA-N 1 0 297.399 0.036 10 0 CCAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC1CC1 ZINC000119444780 349937118 /nfs/dbraw/zinc/93/71/18/349937118.db2.gz QVNZJIIRHKGKHC-GFCCVEGCSA-N 1 0 267.373 0.502 10 0 CCAERO CCCC[C@H](NC(N)=O)C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261915054 535058555 /nfs/dbraw/zinc/05/85/55/535058555.db2.gz UGZRTBPLNUOKEL-QWRGUYRKSA-N 1 0 284.404 0.799 10 0 CCAERO Cc1nc2n(n1)CCC[C@@H]2NC(=O)C[N@@H+](C)C(C)C ZINC000081821222 136791774 /nfs/dbraw/zinc/79/17/74/136791774.db2.gz DKFVSPBCFSIHAE-NSHDSACASA-N 1 0 265.361 0.878 10 0 CCAERO NC(=O)c1ccc(F)c(NC(=O)[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000085362056 136794019 /nfs/dbraw/zinc/79/40/19/136794019.db2.gz HSHCOTTYRNIECO-WPRPVWTQSA-N 1 0 265.288 0.991 10 0 CCAERO Cn1nccc1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000128567904 187377952 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CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cc(-c2ccncc2)on1 ZINC000262395649 137042042 /nfs/dbraw/zinc/04/20/42/137042042.db2.gz YENVKXQHJWWZSU-JQWIXIFHSA-N 1 0 288.307 0.047 10 0 CCAERO C[C@H](CC(=O)NC[C@H]1C[NH2+]C[C@@H]1O)c1cccnc1 ZINC000262403498 137042586 /nfs/dbraw/zinc/04/25/86/137042586.db2.gz YSYSEYMRRDUPSB-RTXFEEFZSA-N 1 0 263.341 0.272 10 0 CCAERO COC(=O)[C@H](NC(=O)[C@H](C)C1C[NH2+]C1)c1cccs1 ZINC000262503283 137045399 /nfs/dbraw/zinc/04/53/99/137045399.db2.gz IWEZKTQOEBYNJI-LDYMZIIASA-N 1 0 282.365 0.934 10 0 CCAERO CSCC[C@H](NC(N)=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000262588016 137047240 /nfs/dbraw/zinc/04/72/40/137047240.db2.gz QDGYIICICFWKNB-VIFPVBQESA-N 1 0 290.433 0.220 10 0 CCAERO NC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000262625461 137048507 /nfs/dbraw/zinc/04/85/07/137048507.db2.gz RXMDNODZJSIXBG-VWYCJHECSA-N 1 0 268.361 0.163 10 0 CCAERO C[C@H](CNC(=O)C1C[NH2+]C1)N1CCc2ccccc21 ZINC000263107550 137058481 /nfs/dbraw/zinc/05/84/81/137058481.db2.gz ADBLYMPYIXHVEX-LLVKDONJSA-N 1 0 259.353 0.773 10 0 CCAERO CCN1CCN(C(=O)[C@@H](C)N2CC[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000261692745 137015967 /nfs/dbraw/zinc/01/59/67/137015967.db2.gz KSMJVNKPHCDMNQ-ZIAGYGMSSA-N 1 0 296.459 0.598 10 0 CCAERO C[C@@H](C1CC1)n1[nH]cc/c1=N\C(=O)CN1CC[NH2+]C[C@H]1C ZINC000261731089 137017316 /nfs/dbraw/zinc/01/73/16/137017316.db2.gz HECVPUXSFAMBJG-BMIAZUDFSA-N 1 0 291.399 0.508 10 0 CCAERO CC1(C)CN(C(=O)Cn2ccccc2=O)CC[C@H]1[NH3+] ZINC000261752683 137018295 /nfs/dbraw/zinc/01/82/95/137018295.db2.gz DXAIAJJMHVGXKM-LLVKDONJSA-N 1 0 263.341 0.434 10 0 CCAERO CN1CC[NH2+]C[C@H]1c1noc(CC2CCOCC2)n1 ZINC000263147983 137059171 /nfs/dbraw/zinc/05/91/71/137059171.db2.gz CWMFCXYMEBNBKO-NSHDSACASA-N 1 0 266.345 0.615 10 0 CCAERO COc1cccc([C@@H](O)CNC(=O)C2([NH3+])CCOCC2)c1 ZINC000261894438 137024898 /nfs/dbraw/zinc/02/48/98/137024898.db2.gz QYAZSUSNWQMDSF-ZDUSSCGKSA-N 1 0 294.351 0.353 10 0 CCAERO C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)C(=O)N1CCCC[C@H]1C ZINC000261924903 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C[C@]1(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)CCc2ccccc2C1 ZINC000262258634 137033401 /nfs/dbraw/zinc/03/34/01/137033401.db2.gz MAOBXUAHENYYMW-INMHGKMJSA-N 1 0 288.391 0.878 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccccc1OC(F)F ZINC000262272040 137034001 /nfs/dbraw/zinc/03/40/01/137034001.db2.gz NBGYKUYJBZPKGQ-PSASIEDQSA-N 1 0 286.278 0.598 10 0 CCAERO CC(C)OCc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262272056 137034027 /nfs/dbraw/zinc/03/40/27/137034027.db2.gz NBQOVWZHJXVJAZ-HUUCEWRRSA-N 1 0 292.379 0.922 10 0 CCAERO Cc1c(Cl)cccc1OCC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262274647 137034142 /nfs/dbraw/zinc/03/41/42/137034142.db2.gz NIRUPNZCTFKWCO-JQWIXIFHSA-N 1 0 298.770 0.724 10 0 CCAERO O=C(C1C[NH2+]C1)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000262279765 137034515 /nfs/dbraw/zinc/03/45/15/137034515.db2.gz VKSXCBVBAZKWBV-JTQLQIEISA-N 1 0 276.340 0.872 10 0 CCAERO O=C(CSc1ccccc1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262286665 137035595 /nfs/dbraw/zinc/03/55/95/137035595.db2.gz OIRVNLRJXOAEKN-ZYHUDNBSSA-N 1 0 266.366 0.475 10 0 CCAERO COC(=O)CCC(C)(C)NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000262320479 137037485 /nfs/dbraw/zinc/03/74/85/137037485.db2.gz CTNPIPLHVFLUTR-SECBINFHSA-N 1 0 256.346 0.690 10 0 CCAERO COc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c(OC)c1 ZINC000262322588 137037603 /nfs/dbraw/zinc/03/76/03/137037603.db2.gz RLTXHJWJBHUVDD-CABZTGNLSA-N 1 0 280.324 0.014 10 0 CCAERO C[C@@H]1CC[C@H](CCC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)O1 ZINC000262325158 137037894 /nfs/dbraw/zinc/03/78/94/137037894.db2.gz RSHSLRAGDZJJON-KXNHARMFSA-N 1 0 256.346 0.031 10 0 CCAERO CC(C)[C@@H](c1nc([C@H]2C[NH2+]CCN2C)no1)N(C)C ZINC000263241453 137061396 /nfs/dbraw/zinc/06/13/96/137061396.db2.gz ORDXYQPNWXNEBH-MNOVXSKESA-N 1 0 267.377 0.904 10 0 CCAERO O[C@H]1C[NH2+]C[C@H]1CNCc1ccc2c(c1)OCCO2 ZINC000263239902 137061423 /nfs/dbraw/zinc/06/14/23/137061423.db2.gz OMRBIVZSGDOUFG-NEPJUHHUSA-N 1 0 264.325 0.128 10 0 CCAERO Cn1cc(CNC[C@H]2C[NH2+]C[C@@H]2O)c(-c2cccs2)n1 ZINC000263251166 137061653 /nfs/dbraw/zinc/06/16/53/137061653.db2.gz PZGGSMGYYPCMJC-JQWIXIFHSA-N 1 0 292.408 0.819 10 0 CCAERO CN1CC[NH2+]C[C@@H]1c1noc(CCn2cc(Cl)cn2)n1 ZINC000263256302 137061688 /nfs/dbraw/zinc/06/16/88/137061688.db2.gz QNNCNGBRMAGMRG-SNVBAGLBSA-N 1 0 296.762 0.738 10 0 CCAERO O=C(NCc1ccccc1N1CCOCC1)C1C[NH2+]C1 ZINC000263266601 137062040 /nfs/dbraw/zinc/06/20/40/137062040.db2.gz HLPIKQSIGYNMAT-UHFFFAOYSA-N 1 0 275.352 0.359 10 0 CCAERO Cc1nccn1-c1ccc(CNC(=O)C2C[NH2+]C2)cn1 ZINC000263266642 137062099 /nfs/dbraw/zinc/06/20/99/137062099.db2.gz HNQURPFZVZQICL-UHFFFAOYSA-N 1 0 271.324 0.411 10 0 CCAERO C[C@@H]1C[C@H](NC(=O)C2C[NH2+]C2)C(=O)N1c1ccccc1 ZINC000263305085 137063371 /nfs/dbraw/zinc/06/33/71/137063371.db2.gz OEAUUANCHVUSRS-MFKMUULPSA-N 1 0 273.336 0.516 10 0 CCAERO O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)C1C[NH2+]C1 ZINC000263306998 137063382 /nfs/dbraw/zinc/06/33/82/137063382.db2.gz OPNIPWWMACBLDM-NSHDSACASA-N 1 0 277.343 0.988 10 0 CCAERO CN1C(=O)CCc2cc(CNC[C@H]3C[NH2+]C[C@H]3O)ccc21 ZINC000263312110 137063936 /nfs/dbraw/zinc/06/39/36/137063936.db2.gz YXKVSRWTNSKMQF-DZGCQCFKSA-N 1 0 289.379 0.266 10 0 CCAERO C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)C1C[NH2+]C1 ZINC000263336484 137064370 /nfs/dbraw/zinc/06/43/70/137064370.db2.gz WJOLYKRFIAZGCA-SNVBAGLBSA-N 1 0 286.335 0.121 10 0 CCAERO CC1CC[NH+](CC(=O)NC[C@@H]2CCC[C@@H]2O)CC1 ZINC000305048290 137070173 /nfs/dbraw/zinc/07/01/73/137070173.db2.gz GHVSUUPVYFHJIE-STQMWFEESA-N 1 0 254.374 0.996 10 0 CCAERO C[C@](O)(C[NH+]1CCC(OCCO)CC1)C(F)(F)F ZINC000310752391 137072471 /nfs/dbraw/zinc/07/24/71/137072471.db2.gz KJYRYJJLBLOABZ-JTQLQIEISA-N 1 0 271.279 0.773 10 0 CCAERO CCOc1ccc(C[N@@H+]2CCC[C@](O)(C(N)=O)C2)cc1 ZINC000312269734 137076717 /nfs/dbraw/zinc/07/67/17/137076717.db2.gz IIAHYVDGECQUJP-OAHLLOKOSA-N 1 0 278.352 0.898 10 0 CCAERO CCOc1ccccc1C[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000312440133 137076747 /nfs/dbraw/zinc/07/67/47/137076747.db2.gz IXOFVLZZZWWBQI-HNNXBMFYSA-N 1 0 278.352 0.898 10 0 CCAERO CC[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@H](OC)C[C@H]1CO ZINC000312609140 137077490 /nfs/dbraw/zinc/07/74/90/137077490.db2.gz ZFYIYIOYSWVGQD-HZSPNIEDSA-N 1 0 284.400 0.859 10 0 CCAERO C[NH+](C)[C@H]1CC[C@H](NC(=O)N2CC(NC(=O)C3CC3)C2)C1 ZINC000333010548 137082616 /nfs/dbraw/zinc/08/26/16/137082616.db2.gz VEYRXWRIBAOGKA-AAEUAGOBSA-N 1 0 294.399 0.389 10 0 CCAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1cc(-c2cccnc2)n[nH]1 ZINC000263205707 137060511 /nfs/dbraw/zinc/06/05/11/137060511.db2.gz JQYQQKMKUWVRQF-SMDDNHRTSA-N 1 0 273.340 0.142 10 0 CCAERO CCOCCO[C@@H](C)c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263222538 137061062 /nfs/dbraw/zinc/06/10/62/137061062.db2.gz MDDIKTDDURUYOV-WDEREUQCSA-N 1 0 284.360 0.760 10 0 CCAERO CCN(CC)C(=O)C[N@@H+]1C[C@H](OC)C[C@H]1COC ZINC000344377997 137191430 /nfs/dbraw/zinc/19/14/30/137191430.db2.gz YMOHAUCRTZQDMV-NWDGAFQWSA-N 1 0 258.362 0.591 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc(N)nc2OC)C1 ZINC000033886075 348148165 /nfs/dbraw/zinc/14/81/65/348148165.db2.gz BTBPYLFRILOQDK-SECBINFHSA-N 1 0 279.344 0.282 10 0 CCAERO [NH3+]C[C@@H](O)CN1CCN(c2ccccc2Cl)CC1 ZINC000034940068 348153555 /nfs/dbraw/zinc/15/35/55/348153555.db2.gz GOVMXHAHKYJSMF-LLVKDONJSA-N 1 0 269.776 0.782 10 0 CCAERO COCc1cccc(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)c1 ZINC000037005642 348178057 /nfs/dbraw/zinc/17/80/57/348178057.db2.gz BAKGGHCOFBKCMU-RYUDHWBXSA-N 1 0 250.298 0.494 10 0 CCAERO CN(CN1C(=O)c2ccccc2C1=O)C1CC[NH2+]CC1 ZINC000036301103 348166064 /nfs/dbraw/zinc/16/60/64/348166064.db2.gz SAGAXSHYEMQVDU-UHFFFAOYSA-N 1 0 273.336 0.924 10 0 CCAERO CCOc1cc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)ccc1OC ZINC000037044057 348184426 /nfs/dbraw/zinc/18/44/26/348184426.db2.gz SKNWWIROFHIYRS-MNOVXSKESA-N 1 0 280.324 0.755 10 0 CCAERO CCCCNC(=O)N1CCN([C@@H](CC)C[NH3+])CC1 ZINC000104067935 185892498 /nfs/dbraw/zinc/89/24/98/185892498.db2.gz GOUSFGARIQDNEA-LBPRGKRZSA-N 1 0 256.394 0.851 10 0 CCAERO O=C([C@H]1CCC[NH2+]C1)N(CCO)CC(F)(F)F ZINC000037827406 348212700 /nfs/dbraw/zinc/21/27/00/348212700.db2.gz TZZACBLHBMUVFR-QMMMGPOBSA-N 1 0 254.252 0.369 10 0 CCAERO CN(C)CC[NH2+]CC1=CC2=CC=C[C@@H]3CCN(C1=O)[C@@H]23 ZINC000039287497 348229151 /nfs/dbraw/zinc/22/91/51/348229151.db2.gz OWFOLSYZOUPZGY-IUODEOHRSA-N 1 0 273.380 0.791 10 0 CCAERO CC[NH+](CC)CCOC(=O)N[C@H]1C=CS(=O)(=O)C1 ZINC000040166446 348230657 /nfs/dbraw/zinc/23/06/57/348230657.db2.gz KCDHMFMQXMRQQK-JTQLQIEISA-N 1 0 276.358 0.365 10 0 CCAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccc3n[nH]cc3c2)C1 ZINC000042276893 348272197 /nfs/dbraw/zinc/27/21/97/348272197.db2.gz LGZKESIEJKABQD-ZYHUDNBSSA-N 1 0 260.297 0.878 10 0 CCAERO CCCNC(=O)CNC(=O)CC1CCC(C[NH3+])CC1 ZINC000104123263 185898092 /nfs/dbraw/zinc/89/80/92/185898092.db2.gz VSROORUXEHIDFV-UHFFFAOYSA-N 1 0 269.389 0.784 10 0 CCAERO C[C@H]1C(=O)NCCN1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000104135553 185904884 /nfs/dbraw/zinc/90/48/84/185904884.db2.gz VXCRXBBKKOKKHJ-VIFPVBQESA-N 1 0 262.313 0.498 10 0 CCAERO Cc1ccccc1[C@H](C)NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000049527655 348456119 /nfs/dbraw/zinc/45/61/19/348456119.db2.gz BDNOBOKTOJBULA-LBPRGKRZSA-N 1 0 275.352 0.604 10 0 CCAERO COc1ccc(C[NH2+][C@H]2CCCNC2=O)cc1O ZINC000050393934 348474288 /nfs/dbraw/zinc/47/42/88/348474288.db2.gz DULXDHOATJJCIF-JTQLQIEISA-N 1 0 250.298 0.769 10 0 CCAERO C[NH2+][C@H](C)C(=O)Nc1ccc(OCC(N)=O)cc1 ZINC000054073759 348540110 /nfs/dbraw/zinc/54/01/10/348540110.db2.gz VBKPXOCRJFKDMM-MRVPVSSYSA-N 1 0 251.286 0.097 10 0 CCAERO CCCN(CC(=O)NC)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054291806 348548173 /nfs/dbraw/zinc/54/81/73/348548173.db2.gz JOQNIGGFBDWDLD-NSHDSACASA-N 1 0 255.362 0.361 10 0 CCAERO O=C(CN1CCC[N@@H+](C2CC2)CC1)NCC(F)(F)F ZINC000061041010 348650711 /nfs/dbraw/zinc/65/07/11/348650711.db2.gz PCTBEKQSBNTZCC-UHFFFAOYSA-N 1 0 279.306 0.835 10 0 CCAERO Cc1cc(NC(=O)CC[N@@H+]2CCC[C@@H]2C(N)=O)no1 ZINC000061759336 348659037 /nfs/dbraw/zinc/65/90/37/348659037.db2.gz HXVFLPOJRSZEHY-SECBINFHSA-N 1 0 266.301 0.261 10 0 CCAERO [NH3+]CCCNc1ncc(I)cn1 ZINC000060115091 348640904 /nfs/dbraw/zinc/64/09/04/348640904.db2.gz ITQGCESQFGTQGX-UHFFFAOYSA-N 1 0 278.097 0.842 10 0 CCAERO C[C@@H]([NH2+]CC(=O)NC1CCOCC1)[C@H]1CCCO1 ZINC000062768539 348670048 /nfs/dbraw/zinc/67/00/48/348670048.db2.gz ARZDHFIGFFUMPS-ZYHUDNBSSA-N 1 0 256.346 0.439 10 0 CCAERO O=C(N1CCC[C@@H](CO)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000104197738 185927046 /nfs/dbraw/zinc/92/70/46/185927046.db2.gz YZQKKMWUZMUWFV-KOLCDFICSA-N 1 0 280.290 0.759 10 0 CCAERO C[C@H](NC(=O)NC1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000071913154 348913170 /nfs/dbraw/zinc/91/31/70/348913170.db2.gz OCMZBMPNLCFYOF-JQWIXIFHSA-N 1 0 255.362 0.947 10 0 CCAERO CN(C)S(=O)(=O)N[C@@H]1c2ccccc2C[C@H]1[NH3+] ZINC000104315312 185966079 /nfs/dbraw/zinc/96/60/79/185966079.db2.gz CXGOATQXKXKSLS-GHMZBOCLSA-N 1 0 255.343 0.007 10 0 CCAERO COc1cccc(N2CNC(=O)C23CC[NH2+]CC3)c1 ZINC000084139558 349314922 /nfs/dbraw/zinc/31/49/22/349314922.db2.gz VUAUWSFYJWADGH-UHFFFAOYSA-N 1 0 261.325 0.711 10 0 CCAERO CC(C)[NH+](CCNC(=O)[C@H]1COCCN1)C(C)C ZINC000088357516 349360833 /nfs/dbraw/zinc/36/08/33/349360833.db2.gz RXPQQYKDMQCAIX-GFCCVEGCSA-N 1 0 257.378 0.210 10 0 CCAERO CCOC(=O)C[C@H](C)CNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000120775056 350004972 /nfs/dbraw/zinc/00/49/72/350004972.db2.gz TURKVKLDLTUVHF-RYUDHWBXSA-N 1 0 285.388 0.921 10 0 CCAERO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)NC(=O)c2ccco2)C1 ZINC000121546065 350044573 /nfs/dbraw/zinc/04/45/73/350044573.db2.gz XCXDRARMYFLYJD-VXGBXAGGSA-N 1 0 293.367 0.856 10 0 CCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCCCC(F)(F)F)C1 ZINC000123871021 350084548 /nfs/dbraw/zinc/08/45/48/350084548.db2.gz ZWFOJIOZNLXPGP-HTQZYQBOSA-N 1 0 254.252 0.822 10 0 CCAERO Cc1ncsc1CN(C)[C@@]1(C[NH3+])CCS(=O)(=O)C1 ZINC000104448227 186006376 /nfs/dbraw/zinc/00/63/76/186006376.db2.gz BTPXOHRJUJTPRQ-LLVKDONJSA-N 1 0 289.426 0.399 10 0 CCAERO CCN1CCO[C@H](CN2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000126014565 350135502 /nfs/dbraw/zinc/13/55/02/350135502.db2.gz GFZYTBJXFUEHPF-AWEZNQCLSA-N 1 0 285.432 0.096 10 0 CCAERO CCC[C@@H](C(=O)N1CCC[C@@H](CC(N)=O)C1)[NH+](C)C ZINC000127033295 350160203 /nfs/dbraw/zinc/16/02/03/350160203.db2.gz KKNLKGOBTUAMNR-RYUDHWBXSA-N 1 0 269.389 0.831 10 0 CCAERO O=C(C1=NNC(=O)CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000127164920 350163733 /nfs/dbraw/zinc/16/37/33/350163733.db2.gz VELIBCSNFZBCOJ-NSHDSACASA-N 1 0 278.356 0.197 10 0 CCAERO C(c1nc([C@@H]2CCOC2)no1)[C@@H]1CSCC[NH2+]1 ZINC000091129205 180101400 /nfs/dbraw/zinc/10/14/00/180101400.db2.gz QXGAOIDXGSSHNU-RKDXNWHRSA-N 1 0 255.343 0.821 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@H](O)COC1CCOCC1 ZINC000127535629 350171733 /nfs/dbraw/zinc/17/17/33/350171733.db2.gz CLOHKBUFWOTKHA-KFWWJZLASA-N 1 0 298.427 0.711 10 0 CCAERO O=C(NC[C@@H]1CN(C2CC2)CCO1)c1cnns1 ZINC000127592909 350172968 /nfs/dbraw/zinc/17/29/68/350172968.db2.gz ZVLXJYSSIPLTRD-SECBINFHSA-N 1 0 268.342 0.131 10 0 CCAERO COc1cc(CNC(=O)C2C[NH2+]C2)cc(OC)c1OC ZINC000091408632 180148470 /nfs/dbraw/zinc/14/84/70/180148470.db2.gz AQVMPMDKJXTAHD-UHFFFAOYSA-N 1 0 280.324 0.548 10 0 CCAERO CSC[C@@H]1CCC[N@@H+]1C[C@H](O)CN1CCCC1=O ZINC000128170747 350186434 /nfs/dbraw/zinc/18/64/34/350186434.db2.gz DACQMUDGJKNCQI-RYUDHWBXSA-N 1 0 272.414 0.797 10 0 CCAERO CC(C)NC(=O)CCCC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000104866867 186029927 /nfs/dbraw/zinc/02/99/27/186029927.db2.gz UXZKCZZTXJVBDQ-LBPRGKRZSA-N 1 0 269.389 0.892 10 0 CCAERO CCc1noc([C@H]2CCC(=O)N(CC[NH+](C)C)C2)n1 ZINC000091426856 180151725 /nfs/dbraw/zinc/15/17/25/180151725.db2.gz BZETYAQBNHUSFK-JTQLQIEISA-N 1 0 266.345 0.900 10 0 CCAERO CC(C)(C(=O)Nc1ccc(C(N)=O)cc1)N1CC[NH2+]CC1 ZINC000129578522 350217454 /nfs/dbraw/zinc/21/74/54/350217454.db2.gz YPKUXEDMUZJGHS-UHFFFAOYSA-N 1 0 290.367 0.408 10 0 CCAERO CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000129636251 350218335 /nfs/dbraw/zinc/21/83/35/350218335.db2.gz DKFDQGRXLKBRTK-CYBMUJFWSA-N 1 0 282.432 0.128 10 0 CCAERO O=C(NCCn1ccnc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105064577 186039983 /nfs/dbraw/zinc/03/99/83/186039983.db2.gz MCKAQJHPIUZOLP-ZDUSSCGKSA-N 1 0 277.372 0.763 10 0 CCAERO CN(CC1CCOCC1)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129751850 350221892 /nfs/dbraw/zinc/22/18/92/350221892.db2.gz OWGUOLSQGMOHIV-UHFFFAOYSA-N 1 0 283.416 0.555 10 0 CCAERO CC[NH+]1CCC(NC(=O)NC[C@H]2CN(C)CCO2)CC1 ZINC000105084282 186041110 /nfs/dbraw/zinc/04/11/10/186041110.db2.gz KKSLZVRRPBXNOG-ZDUSSCGKSA-N 1 0 284.404 0.101 10 0 CCAERO O=C(NCC[NH2+]C1CCCCCC1)c1nnc[nH]1 ZINC000130116958 350230053 /nfs/dbraw/zinc/23/00/53/350230053.db2.gz QETYLVJREBCBDP-UHFFFAOYSA-N 1 0 251.334 0.847 10 0 CCAERO COCC[N@H+](C)CCCNC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000130939303 350255346 /nfs/dbraw/zinc/25/53/46/350255346.db2.gz GYLOWDKTVBVOGB-NEPJUHHUSA-N 1 0 258.362 0.638 10 0 CCAERO CC(C)(C(=O)NC[C@H]1CCCCO1)N1CC[NH2+]CC1 ZINC000131266200 350270296 /nfs/dbraw/zinc/27/02/96/350270296.db2.gz PNTWLRYXKSMBBT-GFCCVEGCSA-N 1 0 269.389 0.356 10 0 CCAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccnn3C)CC2)CCO1 ZINC000132699613 350314953 /nfs/dbraw/zinc/31/49/53/350314953.db2.gz FBVSJNGZSJNKJD-GFCCVEGCSA-N 1 0 292.383 0.745 10 0 CCAERO Cc1ccc(N2CCC[N@H+](CCOCCO)CC2)nn1 ZINC000132945779 350320277 /nfs/dbraw/zinc/32/02/77/350320277.db2.gz OKDHMENTBCAPJZ-UHFFFAOYSA-N 1 0 280.372 0.306 10 0 CCAERO CC[N@H+](CC(=O)N1CCO[C@@H](c2nnc(C)[nH]2)C1)C1CC1 ZINC000132965633 350321280 /nfs/dbraw/zinc/32/12/80/350321280.db2.gz VWSAFSGZTSARFB-GFCCVEGCSA-N 1 0 293.371 0.497 10 0 CCAERO CC[C@H](CCO)[NH2+]C[C@H](O)COCc1ccco1 ZINC000134400201 350363296 /nfs/dbraw/zinc/36/32/96/350363296.db2.gz XPMWBUUECJPIPN-NEPJUHHUSA-N 1 0 257.330 0.908 10 0 CCAERO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1c1nc(C)ncc1CC ZINC000092037359 180309874 /nfs/dbraw/zinc/30/98/74/180309874.db2.gz PUFYHDKGFAOURV-RYUDHWBXSA-N 1 0 277.372 0.390 10 0 CCAERO CC[N@@H+]1CCC[C@H](Nc2ncnc(N)c2OC)C1 ZINC000134847700 350377748 /nfs/dbraw/zinc/37/77/48/350377748.db2.gz GFFXOQDPWXTCAR-VIFPVBQESA-N 1 0 251.334 0.964 10 0 CCAERO C[C@H](O)C[NH+]1CCC(CN(C)Cc2nccc(N)n2)CC1 ZINC000135051262 350383298 /nfs/dbraw/zinc/38/32/98/350383298.db2.gz WTHPMIFMGNBYSB-LBPRGKRZSA-N 1 0 293.415 0.583 10 0 CCAERO C[C@H](CO)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000137772328 350438673 /nfs/dbraw/zinc/43/86/73/350438673.db2.gz DZFZEWZMFNKRKH-YPMHNXCESA-N 1 0 250.342 0.656 10 0 CCAERO CC[C@H](C(N)=O)[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000105870084 186081196 /nfs/dbraw/zinc/08/11/96/186081196.db2.gz MFVWSJOPPUXNFZ-CYBMUJFWSA-N 1 0 279.388 0.192 10 0 CCAERO CCOCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000105871899 186081227 /nfs/dbraw/zinc/08/12/27/186081227.db2.gz IFCKXNMJQOFBCN-VXGBXAGGSA-N 1 0 295.387 0.114 10 0 CCAERO C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)N1CCOCC1 ZINC000136147469 350416398 /nfs/dbraw/zinc/41/63/98/350416398.db2.gz SYESBTNVAYHPQY-CQSZACIVSA-N 1 0 283.416 0.555 10 0 CCAERO CC[C@H]1CN(CCCNC(C)=O)CC[N@@H+]1CCOC ZINC000105837293 186076557 /nfs/dbraw/zinc/07/65/57/186076557.db2.gz MMRGXARQXGTKNL-AWEZNQCLSA-N 1 0 271.405 0.555 10 0 CCAERO CCc1nccn1[C@@H]1CCC[N@H+](CCC(=O)NC(N)=O)C1 ZINC000105904156 186087243 /nfs/dbraw/zinc/08/72/43/186087243.db2.gz KUGZMQKXYMLHCA-LLVKDONJSA-N 1 0 293.371 0.667 10 0 CCAERO C[C@@H](C(=O)N(C)C)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000105910526 186090121 /nfs/dbraw/zinc/09/01/21/186090121.db2.gz LBAXCXRTFFMHIR-LBPRGKRZSA-N 1 0 291.399 0.854 10 0 CCAERO CCn1c(C)nnc1CN1CCO[C@H](C[NH+](C)C)C1 ZINC000105924318 186090700 /nfs/dbraw/zinc/09/07/00/186090700.db2.gz MYAPZZGOFXSLKZ-GFCCVEGCSA-N 1 0 267.377 0.369 10 0 CCAERO COC(=O)c1coc(CN2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000105924392 186091245 /nfs/dbraw/zinc/09/12/45/186091245.db2.gz NNFZVFWZJPRIIV-CYBMUJFWSA-N 1 0 282.340 0.829 10 0 CCAERO CC(C)CNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000105933275 186092319 /nfs/dbraw/zinc/09/23/19/186092319.db2.gz YZNQOCIXPPINCU-NEPJUHHUSA-N 1 0 257.378 0.067 10 0 CCAERO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCO[C@H](C[NH+](C)C)C2)C1 ZINC000105926950 186092563 /nfs/dbraw/zinc/09/25/63/186092563.db2.gz QYBLCCBAAKQHNQ-RBSFLKMASA-N 1 0 297.443 0.753 10 0 CCAERO O=C1Cc2cc(S(=O)(=O)[C@H]3CC[NH2+]C3)ccc2N1 ZINC000145058835 350465001 /nfs/dbraw/zinc/46/50/01/350465001.db2.gz VTWOJBJPRZBXPJ-JTQLQIEISA-N 1 0 266.322 0.317 10 0 CCAERO O=C1CCC(=O)N1CC[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886991 186084625 /nfs/dbraw/zinc/08/46/25/186084625.db2.gz RHFYZGXVXVJJGA-UHFFFAOYSA-N 1 0 290.367 0.744 10 0 CCAERO CCS(=O)(=O)c1ccc(CN(C)CC[NH3+])cc1 ZINC000107296226 186167964 /nfs/dbraw/zinc/16/79/64/186167964.db2.gz SCAHPAJCQIXSIZ-UHFFFAOYSA-N 1 0 256.371 0.871 10 0 CCAERO O=C(NCCCCNc1ccccn1)[C@H]1CNC(=O)C1 ZINC000109281573 186246579 /nfs/dbraw/zinc/24/65/79/186246579.db2.gz PTTNTNFBVXEFQH-LLVKDONJSA-N 1 0 276.340 0.526 10 0 CCAERO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CNC(=O)C1 ZINC000110345569 186293356 /nfs/dbraw/zinc/29/33/56/186293356.db2.gz WOPHEWBXRMATMN-KGLIPLIRSA-N 1 0 287.363 0.513 10 0 CCAERO C[C@H](CC(=O)NC[C@@H]1CN(C)CCO1)[C@@H]1CCC[NH2+]C1 ZINC000156242379 350628253 /nfs/dbraw/zinc/62/82/53/350628253.db2.gz WKVZSBRHUUBBNM-MGPQQGTHSA-N 1 0 283.416 0.459 10 0 CCAERO [NH3+][C@H](CN1C(=O)c2ccccc2C1=O)[C@@H]1CCOC1 ZINC000156869628 350636730 /nfs/dbraw/zinc/63/67/30/350636730.db2.gz MJCPCTPSCFKICG-BXKDBHETSA-N 1 0 260.293 0.646 10 0 CCAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCCCO ZINC000162740606 350751233 /nfs/dbraw/zinc/75/12/33/350751233.db2.gz DDEHISMAJGDNSV-CYBMUJFWSA-N 1 0 250.342 0.658 10 0 CCAERO CCC[C@@H](C(=O)NCCNC(=O)c1cccnc1)[NH+](C)C ZINC000161581849 350724760 /nfs/dbraw/zinc/72/47/60/350724760.db2.gz VBGGYMSRWZZASX-ZDUSSCGKSA-N 1 0 292.383 0.658 10 0 CCAERO C[C@H](C(=O)Nc1cccc2c1C[NH2+]CC2)S(C)(=O)=O ZINC000168368091 350824928 /nfs/dbraw/zinc/82/49/28/350824928.db2.gz BMMTWCPETHLJEH-SECBINFHSA-N 1 0 282.365 0.704 10 0 CCAERO COC[C@H]([NH3+])C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000167807233 350814842 /nfs/dbraw/zinc/81/48/42/350814842.db2.gz FRDSLFKFPZJOKC-NSHDSACASA-N 1 0 260.297 0.989 10 0 CCAERO [NH3+][C@H]1CCC[C@H]1C(=O)N1CCCN(c2cccnn2)CC1 ZINC000167869773 350815829 /nfs/dbraw/zinc/81/58/29/350815829.db2.gz DVROVLMJINKJSW-OLZOCXBDSA-N 1 0 289.383 0.643 10 0 CCAERO [NH3+][C@@H](CCC(=O)N1CCO[C@@H](CO)C1)c1ccccc1 ZINC000167126564 350806313 /nfs/dbraw/zinc/80/63/13/350806313.db2.gz ZREXPQUZMYKECW-KGLIPLIRSA-N 1 0 278.352 0.686 10 0 CCAERO O=C(CCn1ccnn1)Nc1cccc2c1C[NH2+]CC2 ZINC000167388549 350809645 /nfs/dbraw/zinc/80/96/45/350809645.db2.gz JPGXWCZNNOIXKS-UHFFFAOYSA-N 1 0 271.324 0.953 10 0 CCAERO CCOCCO[C@@H](C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170864626 350869766 /nfs/dbraw/zinc/86/97/66/350869766.db2.gz KKQPIJOEDAZIOJ-RYUDHWBXSA-N 1 0 258.362 0.591 10 0 CCAERO COC(=O)[C@H]1C[C@@H]1C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000170758382 350858085 /nfs/dbraw/zinc/85/80/85/350858085.db2.gz WPJAXMFNMHZOSN-RYUDHWBXSA-N 1 0 266.341 0.492 10 0 CCAERO CN(C(=O)CN1CCO[C@@H](C[NH+](C)C)C1)c1nccs1 ZINC000111229614 186371637 /nfs/dbraw/zinc/37/16/37/186371637.db2.gz KSIBBEVOFNDZEN-NSHDSACASA-N 1 0 298.412 0.368 10 0 CCAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000170867009 350869578 /nfs/dbraw/zinc/86/95/78/350869578.db2.gz ANSGFJCIUQUOGA-JTQLQIEISA-N 1 0 274.324 0.632 10 0 CCAERO NS(=O)(=O)c1cccnc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171880155 350939851 /nfs/dbraw/zinc/93/98/51/350939851.db2.gz NXRXUXCONXIXLA-SNVBAGLBSA-N 1 0 282.369 0.013 10 0 CCAERO O=C1CCCN1CC[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171619182 350921429 /nfs/dbraw/zinc/92/14/29/350921429.db2.gz WYMYLQNMHYFYJU-LBPRGKRZSA-N 1 0 263.345 0.537 10 0 CCAERO CCNC(=O)NC1(C(=O)N2CC[C@H]([NH+](C)C)C2)CCCC1 ZINC000170864726 350870044 /nfs/dbraw/zinc/87/00/44/350870044.db2.gz UFKQASHUYVQFJU-LBPRGKRZSA-N 1 0 296.415 0.781 10 0 CCAERO CN(CC(=O)N1CC[C@@H]([NH+](C)C)C1)C(=O)c1cccs1 ZINC000170866863 350870113 /nfs/dbraw/zinc/87/01/13/350870113.db2.gz DCMWJRPZEAFTJU-LLVKDONJSA-N 1 0 295.408 0.983 10 0 CCAERO Cc1noc(C)c1S(=O)(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170873734 350870605 /nfs/dbraw/zinc/87/06/05/350870605.db2.gz QUCRTIQYHGTNGB-SNVBAGLBSA-N 1 0 273.358 0.616 10 0 CCAERO NS(=O)(=O)CCC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000170914535 350873085 /nfs/dbraw/zinc/87/30/85/350873085.db2.gz BPCRLSHDAAYTSE-GFCCVEGCSA-N 1 0 298.412 0.494 10 0 CCAERO Cn1cnnc1SCC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000171027259 350878910 /nfs/dbraw/zinc/87/89/10/350878910.db2.gz AMYGKZPLQOVZRD-LLVKDONJSA-N 1 0 295.412 0.604 10 0 CCAERO COCC[N@H+](C)CCNC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000171197916 350893496 /nfs/dbraw/zinc/89/34/96/350893496.db2.gz ICACEROTMOFXHV-NWDGAFQWSA-N 1 0 273.377 0.431 10 0 CCAERO COC[C@@H](O)C[N@@H+]1CCC[C@H](Cc2noc(C)n2)C1 ZINC000171973121 350948358 /nfs/dbraw/zinc/94/83/58/350948358.db2.gz ONFTVTAQUAQSPW-NEPJUHHUSA-N 1 0 269.345 0.640 10 0 CCAERO CSCC(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000173280055 351033924 /nfs/dbraw/zinc/03/39/24/351033924.db2.gz LPBXTCQOFFJOMW-CYBMUJFWSA-N 1 0 285.457 0.978 10 0 CCAERO Cn1cc([C@H]2CC[N@H+](CCCN3CCOCC3)C2)cn1 ZINC000173653477 351048925 /nfs/dbraw/zinc/04/89/25/351048925.db2.gz JWYSBCZCNZPJMW-AWEZNQCLSA-N 1 0 278.400 0.932 10 0 CCAERO Cc1cc(NC(=O)N2CC[C@@H](N3CCOCC3)C2)no1 ZINC000173773048 351054129 /nfs/dbraw/zinc/05/41/29/351054129.db2.gz AOGFGICYPAFRRV-LLVKDONJSA-N 1 0 280.328 0.921 10 0 CCAERO Cc1n[nH]c(C)c1CC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173764034 351054304 /nfs/dbraw/zinc/05/43/04/351054304.db2.gz SMQOSECZXHIUBQ-ZDUSSCGKSA-N 1 0 292.383 0.502 10 0 CCAERO c1cnn(CC[N@@H+]2CC[C@H](N3CCOCC3)C2)c1 ZINC000173926778 351062553 /nfs/dbraw/zinc/06/25/53/351062553.db2.gz QANGDYAMCJPGHT-ZDUSSCGKSA-N 1 0 250.346 0.290 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CN1CCCC1=O ZINC000174981735 351113078 /nfs/dbraw/zinc/11/30/78/351113078.db2.gz PWKZVHLGSYMBBU-CHWSQXEVSA-N 1 0 279.384 0.694 10 0 CCAERO CC(C)OCCS(=O)(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000175103948 351118002 /nfs/dbraw/zinc/11/80/02/351118002.db2.gz XPMLNPLSVMRDPH-NSHDSACASA-N 1 0 264.391 0.377 10 0 CCAERO CC(C)[N@@H+](C)CC(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000174288767 351078086 /nfs/dbraw/zinc/07/80/86/351078086.db2.gz BDZAQLCLAJCRJV-QWHCGFSZSA-N 1 0 271.405 0.240 10 0 CCAERO C[C@H]1C[NH+](CCCNC(=O)CC(=O)N(C)C)C[C@H](C)O1 ZINC000174500756 351088384 /nfs/dbraw/zinc/08/83/84/351088384.db2.gz FXXDAPGDJUZQAZ-RYUDHWBXSA-N 1 0 285.388 0.080 10 0 CCAERO CC[C@H]1CN(C(=O)CCCOC)CC[N@@H+]1C[C@@H](C)O ZINC000174593669 351094156 /nfs/dbraw/zinc/09/41/56/351094156.db2.gz MOHSKENAEZLVTJ-OLZOCXBDSA-N 1 0 272.389 0.717 10 0 CCAERO CCOCCNC(=O)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000175966701 351152234 /nfs/dbraw/zinc/15/22/34/351152234.db2.gz JLHLMKVJJBBLPL-CYBMUJFWSA-N 1 0 295.387 0.143 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC000177038214 351192489 /nfs/dbraw/zinc/19/24/89/351192489.db2.gz XRYCKWQVDJFSDI-NEPJUHHUSA-N 1 0 267.373 0.407 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1COCCO1 ZINC000176980360 351190481 /nfs/dbraw/zinc/19/04/81/351190481.db2.gz XUIFIWUKTSYULN-RYUDHWBXSA-N 1 0 256.346 0.345 10 0 CCAERO CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2COCCN2)C1 ZINC000178834407 351248787 /nfs/dbraw/zinc/24/87/87/351248787.db2.gz CRRCSGYOGNPDQZ-STQMWFEESA-N 1 0 269.389 0.165 10 0 CCAERO CCn1c(C)nnc1CN1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000177252467 351199478 /nfs/dbraw/zinc/19/94/78/351199478.db2.gz VAXOQUULCACESB-TZMCWYRMSA-N 1 0 293.415 0.759 10 0 CCAERO COC(=O)[C@H](C)CC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000178057552 351217980 /nfs/dbraw/zinc/21/79/80/351217980.db2.gz KBYBCZMGQVUNGT-LLVKDONJSA-N 1 0 268.357 0.882 10 0 CCAERO CCc1nn(C)cc1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000180266678 351281766 /nfs/dbraw/zinc/28/17/66/351281766.db2.gz FICQBJUZNRWPPO-LLVKDONJSA-N 1 0 280.372 0.385 10 0 CCAERO CCc1nnc(CN2CCC[C@@H](Cn3cncn3)C2)[nH]1 ZINC000181705910 351333591 /nfs/dbraw/zinc/33/35/91/351333591.db2.gz ULOAFGODSBAKAX-LLVKDONJSA-N 1 0 275.360 0.871 10 0 CCAERO CC1(C)CN(CCNC(=O)[C@]2(C)CCCC[NH2+]2)CCO1 ZINC000180996702 351298180 /nfs/dbraw/zinc/29/81/80/351298180.db2.gz ALRKIZIPTKKYCV-HNNXBMFYSA-N 1 0 283.416 0.746 10 0 CCAERO CC[NH+]1CCN([C@@H]2CCN(CC(=O)OCC(C)C)C2)CC1 ZINC000181454204 351321419 /nfs/dbraw/zinc/32/14/19/351321419.db2.gz VRSWKSQMKRQUOI-OAHLLOKOSA-N 1 0 297.443 0.897 10 0 CCAERO COCCCOCC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000180051319 351279694 /nfs/dbraw/zinc/27/96/94/351279694.db2.gz LRJIVVKSHBJFGY-CYBMUJFWSA-N 1 0 270.373 0.736 10 0 CCAERO COCCCOCC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000180051336 351280224 /nfs/dbraw/zinc/28/02/24/351280224.db2.gz LRJIVVKSHBJFGY-ZDUSSCGKSA-N 1 0 270.373 0.736 10 0 CCAERO COCc1nc(CN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)no1 ZINC000182440990 351362574 /nfs/dbraw/zinc/36/25/74/351362574.db2.gz RAYQDYOEQQZRBA-GHMZBOCLSA-N 1 0 284.360 0.103 10 0 CCAERO CN(CC[N@H+](C)C1CC1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000185351724 351443965 /nfs/dbraw/zinc/44/39/65/351443965.db2.gz XDYLUJLEIOKWNQ-ZDUSSCGKSA-N 1 0 284.404 0.053 10 0 CCAERO CCN1CCO[C@H](C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)C1 ZINC000186539787 351502071 /nfs/dbraw/zinc/50/20/71/351502071.db2.gz QXBGTRVPMMLTQG-JSGCOSHPSA-N 1 0 281.400 0.450 10 0 CCAERO O=C(NC[C@@H]1CCC[C@H](O)C1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188916950 351639453 /nfs/dbraw/zinc/63/94/53/351639453.db2.gz RGHNICDVZBWRNM-ZJUUUORDSA-N 1 0 278.356 0.336 10 0 CCAERO CCOC(=O)CC[C@@H](C)NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188984320 351644725 /nfs/dbraw/zinc/64/47/25/351644725.db2.gz OKBQGAITIJRLMJ-KXUCPTDWSA-N 1 0 260.309 0.534 10 0 CCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)NCCc2cccc(O)c2)C1 ZINC000189229337 351659502 /nfs/dbraw/zinc/65/95/02/351659502.db2.gz FACNWMGBOBRKTI-QWHCGFSZSA-N 1 0 264.325 0.428 10 0 CCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2ccc(O)c(F)c2)C1 ZINC000189268350 351663161 /nfs/dbraw/zinc/66/31/61/351663161.db2.gz ZAUZPBLOQYRQGT-GXSJLCMTSA-N 1 0 268.288 0.524 10 0 CCAERO CC1CC[NH+](CCNC(=O)N2CCCNC(=O)[C@H]2C)CC1 ZINC000191242797 351751399 /nfs/dbraw/zinc/75/13/99/351751399.db2.gz IPOKZCWEOQNKIN-CYBMUJFWSA-N 1 0 296.415 0.638 10 0 CCAERO C[C@H](C(=O)N1CCC(C)CC1)N1CCCN(C)C(=O)C1 ZINC000191105292 351747415 /nfs/dbraw/zinc/74/74/15/351747415.db2.gz KOOPVDLKENZKJE-CYBMUJFWSA-N 1 0 281.400 0.798 10 0 CCAERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCCNC(=O)[C@@H]1C ZINC000191385674 351756227 /nfs/dbraw/zinc/75/62/27/351756227.db2.gz JZLRUEIPIRYNQG-QWHCGFSZSA-N 1 0 296.415 0.781 10 0 CCAERO C=Cn1cc(CN2CCO[C@H](C[NH+](C)C)C2)cn1 ZINC000193582264 351834346 /nfs/dbraw/zinc/83/43/46/351834346.db2.gz MOZONCGBFZODJG-CYBMUJFWSA-N 1 0 250.346 0.746 10 0 CCAERO C[C@@H]1CN(CCN2CC[N@@H+]3CCC[C@@H]3C2)CCO1 ZINC000192979441 351806522 /nfs/dbraw/zinc/80/65/22/351806522.db2.gz LXCSKUNCHUSAKG-ZIAGYGMSSA-N 1 0 253.390 0.487 10 0 CCAERO C[NH2+]CC(=O)N1CCC[C@@H](C2N=NC(=S)N2C2CC2)C1 ZINC000193130262 351812468 /nfs/dbraw/zinc/81/24/68/351812468.db2.gz QMKAQKGWYAQHBP-SECBINFHSA-N 1 0 295.412 0.827 10 0 CCAERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000193188269 351815994 /nfs/dbraw/zinc/81/59/94/351815994.db2.gz YADHTXMURFCIND-SNVBAGLBSA-N 1 0 296.758 0.836 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCO[C@H](C)C2)C1 ZINC000194178559 351858942 /nfs/dbraw/zinc/85/89/42/351858942.db2.gz CZQFLTDKBMUDPJ-VXGBXAGGSA-N 1 0 255.362 0.901 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CCCC(=O)NC)C1 ZINC000122571932 187038949 /nfs/dbraw/zinc/03/89/49/187038949.db2.gz HPIQWBZGOLKNOR-GFCCVEGCSA-N 1 0 284.404 0.638 10 0 CCAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CNC(=O)C3)CC[C@@H]21 ZINC000122941916 187061213 /nfs/dbraw/zinc/06/12/13/187061213.db2.gz CSJQICANBGGTNC-UTUOFQBUSA-N 1 0 265.357 0.065 10 0 CCAERO CC[NH2+]Cc1cccc(NC(=O)[C@H]2COCCN2)c1 ZINC000122989927 187064604 /nfs/dbraw/zinc/06/46/04/187064604.db2.gz ZRFZQUXWKVWNES-CYBMUJFWSA-N 1 0 263.341 0.723 10 0 CCAERO C[C@@H]1CN(C(=O)CN2CCC[N@@H+](C3CC3)CC2)C[C@H](C)O1 ZINC000195340696 351911080 /nfs/dbraw/zinc/91/10/80/351911080.db2.gz XOJSGRQEBWGTME-OKILXGFUSA-N 1 0 295.427 0.792 10 0 CCAERO CC[C@@H](C(=O)OC)N1CCC(n2cncn2)CC1 ZINC000195436732 351912935 /nfs/dbraw/zinc/91/29/35/351912935.db2.gz MHFVAYLTARZVLY-NSHDSACASA-N 1 0 252.318 0.867 10 0 CCAERO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000195515605 351915779 /nfs/dbraw/zinc/91/57/79/351915779.db2.gz AATYQHITAXZGJK-WDEREUQCSA-N 1 0 291.355 0.399 10 0 CCAERO Cc1ncc(I)c(=O)n1C[C@@H](C)[NH3+] ZINC000222866276 351983981 /nfs/dbraw/zinc/98/39/81/351983981.db2.gz JRKFHPXUXZDMHR-RXMQYKEDSA-N 1 0 293.108 0.504 10 0 CCAERO CCN(CC(=O)NC(C)C)C(=O)C[N@@H+]1CC[C@@H](CCO)C1 ZINC000227576035 352055247 /nfs/dbraw/zinc/05/52/47/352055247.db2.gz DPMLKYLNDLBHMZ-ZDUSSCGKSA-N 1 0 299.415 0.064 10 0 CCAERO CC(C)n1cc(C[NH2+]C[C@H]2CN(C)CCO2)cn1 ZINC000226244109 352020593 /nfs/dbraw/zinc/02/05/93/352020593.db2.gz MCAVJIBEPUSOHF-ZDUSSCGKSA-N 1 0 252.362 0.884 10 0 CCAERO CN1CCN(c2ncccc2Br)[C@@H](C[NH3+])C1 ZINC000226622481 352031395 /nfs/dbraw/zinc/03/13/95/352031395.db2.gz TYSFKNRRCRMSBN-VIFPVBQESA-N 1 0 285.189 0.923 10 0 CCAERO Cn1ccc(CC[NH2+]C[C@H](O)COCc2ccco2)n1 ZINC000227229130 352041631 /nfs/dbraw/zinc/04/16/31/352041631.db2.gz RHLJVUWSVKQGTN-ZDUSSCGKSA-N 1 0 279.340 0.723 10 0 CCAERO COc1nc(OC2C[NH2+]C2)ncc1Br ZINC000235015345 352179187 /nfs/dbraw/zinc/17/91/87/352179187.db2.gz CAANCMQGZPYDSG-UHFFFAOYSA-N 1 0 260.091 0.598 10 0 CCAERO C[C@@H](O)C1CCN(C(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000235260208 352181842 /nfs/dbraw/zinc/18/18/42/352181842.db2.gz IBQWHQRBFARFHL-VXGBXAGGSA-N 1 0 254.374 0.996 10 0 CCAERO C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2COCCN2)C1 ZINC000237536472 352269738 /nfs/dbraw/zinc/26/97/38/352269738.db2.gz DQDZDJRYMDQNEL-KGLIPLIRSA-N 1 0 283.416 0.603 10 0 CCAERO CC[C@H]1CN([C@H](C)CN2CCOCC2)CC[N@@H+]1CCOC ZINC000246196416 352353746 /nfs/dbraw/zinc/35/37/46/352353746.db2.gz XKZTXDSFPUGDHI-CVEARBPZSA-N 1 0 299.459 0.750 10 0 CCAERO CC(C)N1CC[C@@H]([N@@H+]2CCC[C@@H](n3cncn3)C2)C1=O ZINC000245466584 352323897 /nfs/dbraw/zinc/32/38/97/352323897.db2.gz JIEPIIJADPWVTK-CHWSQXEVSA-N 1 0 277.372 0.924 10 0 CCAERO C[C@H](O)C[N@@H+]1CCN(CCn2ccnc2)C[C@@H]1C ZINC000245624914 352331890 /nfs/dbraw/zinc/33/18/90/352331890.db2.gz ORFPGBUNHMRHPY-STQMWFEESA-N 1 0 252.362 0.270 10 0 CCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)OC)C1 ZINC000246071162 352347511 /nfs/dbraw/zinc/34/75/11/352347511.db2.gz ZZFZHVZOIIBXIZ-HBNTYKKESA-N 1 0 256.346 0.771 10 0 CCAERO CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H]1CN(C)CCO1 ZINC000246387543 352364563 /nfs/dbraw/zinc/36/45/63/352364563.db2.gz IHCBYDRFKIRPRB-STQMWFEESA-N 1 0 286.420 0.347 10 0 CCAERO O[C@H](CN1CCOCC1)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000247129723 352400601 /nfs/dbraw/zinc/40/06/01/352400601.db2.gz ARMCVVYWTFZPHQ-BZUAXINKSA-N 1 0 298.427 0.307 10 0 CCAERO CCOC(=O)NCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000246986669 352391957 /nfs/dbraw/zinc/39/19/57/352391957.db2.gz FBTJSPGBJHCPLD-GHMZBOCLSA-N 1 0 269.345 0.428 10 0 CCAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H]2CN(C)CCO2)C1 ZINC000247012189 352393180 /nfs/dbraw/zinc/39/31/80/352393180.db2.gz HEDQNVGTTGYACA-HZSPNIEDSA-N 1 0 298.431 0.345 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCN1CCOCC1 ZINC000247068953 352395951 /nfs/dbraw/zinc/39/59/51/352395951.db2.gz HLGXANJUUOFAFY-KGLIPLIRSA-N 1 0 296.415 0.197 10 0 CCAERO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000247556131 352420300 /nfs/dbraw/zinc/42/03/00/352420300.db2.gz UBMJXXTVBPHJAH-NXEZZACHSA-N 1 0 279.344 0.054 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CSc1nncn1C ZINC000247549097 352420370 /nfs/dbraw/zinc/42/03/70/352420370.db2.gz ZDQFXPBREIIPDD-QWRGUYRKSA-N 1 0 295.412 0.602 10 0 CCAERO CCOC(=O)[C@H](CC)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247569971 352421489 /nfs/dbraw/zinc/42/14/89/352421489.db2.gz RQKZICPCICABMP-RYUDHWBXSA-N 1 0 258.362 0.591 10 0 CCAERO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248054367 352430059 /nfs/dbraw/zinc/43/00/59/352430059.db2.gz WXNVRBDDJWJKEU-SLEUVZQESA-N 1 0 297.399 0.848 10 0 CCAERO C[C@@H]1CN(C(=O)CN2CC[N@@H+]3CCCC[C@H]3C2)C[C@H](C)O1 ZINC000248338020 352435324 /nfs/dbraw/zinc/43/53/24/352435324.db2.gz HQHSCEWHPYITMV-ZNMIVQPWSA-N 1 0 295.427 0.792 10 0 CCAERO CC(C)n1nnnc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248342711 352436161 /nfs/dbraw/zinc/43/61/61/352436161.db2.gz JSCZGMNHRIDPKL-LBPRGKRZSA-N 1 0 264.377 0.924 10 0 CCAERO CNc1nnc(CC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)s1 ZINC000248430769 352440273 /nfs/dbraw/zinc/44/02/73/352440273.db2.gz SFELDKQAVLARCF-ZJUUUORDSA-N 1 0 295.412 0.817 10 0 CCAERO CC[N@H+](CCO)CCNC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000248627807 352448892 /nfs/dbraw/zinc/44/88/92/352448892.db2.gz FQUOGZQAQFQGHJ-WFASDCNBSA-N 1 0 292.379 0.982 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2C(=O)NCC[C@H]2C)C1 ZINC000249466304 352492459 /nfs/dbraw/zinc/49/24/59/352492459.db2.gz GWYGENPVOYYTIK-WOPDTQHZSA-N 1 0 282.388 0.295 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccn(C)n1 ZINC000249190814 352481958 /nfs/dbraw/zinc/48/19/58/352481958.db2.gz PFKLSJZFUWZULG-MNOVXSKESA-N 1 0 291.355 0.054 10 0 CCAERO CCOCCONC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000249209202 352482021 /nfs/dbraw/zinc/48/20/21/352482021.db2.gz ABCSNRDHUGDFOE-VXGBXAGGSA-N 1 0 271.361 0.833 10 0 CCAERO C[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000249393162 352489999 /nfs/dbraw/zinc/48/99/99/352489999.db2.gz GIHZURGEXBGHIT-MJBXVCDLSA-N 1 0 284.400 0.765 10 0 CCAERO CN1CCO[C@@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000250382014 352505168 /nfs/dbraw/zinc/50/51/68/352505168.db2.gz MKNMRVCEJPLYOJ-GSPSYOTPSA-N 1 0 281.400 0.354 10 0 CCAERO CC(C)Oc1cncc(N2CCN(C)C[C@H]2C[NH3+])n1 ZINC000250590272 352506283 /nfs/dbraw/zinc/50/62/83/352506283.db2.gz RKVGPXOCNLYMTK-LLVKDONJSA-N 1 0 265.361 0.343 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(N)nc1 ZINC000251868018 352512401 /nfs/dbraw/zinc/51/24/01/352512401.db2.gz TUKHHKRKSXRDHS-PWSUYJOCSA-N 1 0 260.341 0.973 10 0 CCAERO COC(=O)CC[N@H+](C[C@H]1CCCO1)C[C@H]1CNC(=O)O1 ZINC000252703556 352523662 /nfs/dbraw/zinc/52/36/62/352523662.db2.gz KJLINLQGPQBIDV-GHMZBOCLSA-N 1 0 286.328 0.139 10 0 CCAERO C[C@H](NC(=O)[C@@H]1CCC[NH2+][C@H]1C)C(=O)N1CCCC1 ZINC000252797700 352525438 /nfs/dbraw/zinc/52/54/38/352525438.db2.gz KZPVTUYTTFZRKI-SDDRHHMPSA-N 1 0 267.373 0.502 10 0 CCAERO Cc1nnc2ccc(N3CC[N@@H+](C[C@H](C)O)[C@H](C)C3)nn12 ZINC000266459618 352703406 /nfs/dbraw/zinc/70/34/06/352703406.db2.gz YNLQFJAVVFPDOV-MNOVXSKESA-N 1 0 290.371 0.324 10 0 CCAERO C[C@@H](O)C[N@@H+]1CCN(c2nccn3cnnc23)C[C@@H]1C ZINC000266451123 352703863 /nfs/dbraw/zinc/70/38/63/352703863.db2.gz NZIKXJRKMPGHHX-WDEREUQCSA-N 1 0 276.344 0.016 10 0 CCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1cnn(C)c1 ZINC000154015270 188118033 /nfs/dbraw/zinc/11/80/33/188118033.db2.gz JADCGFVDDUZMGZ-LLVKDONJSA-N 1 0 295.387 0.451 10 0 CCAERO CCNC(=O)COc1cccc(NC(=O)[C@@H](C)[NH3+])c1 ZINC000157172689 188302608 /nfs/dbraw/zinc/30/26/08/188302608.db2.gz LBYBNEZFWHALLZ-SECBINFHSA-N 1 0 265.313 0.487 10 0 CCAERO COC(=O)c1cc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)no1 ZINC000280730212 353378660 /nfs/dbraw/zinc/37/86/60/353378660.db2.gz IJBBPMQGPZOQEL-UWVGGRQHSA-N 1 0 293.323 0.770 10 0 CCAERO C[NH+](C)[C@H]1CCN(C(=O)c2nnc3ccccc3n2)C1 ZINC000290493926 353729707 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CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@H](CCO)C2)C1 ZINC000408250708 357992735 /nfs/dbraw/zinc/99/27/35/357992735.db2.gz QCFRQRPFKKWMHT-CHWSQXEVSA-N 1 0 269.389 0.885 10 0 CCAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ncc[nH]c3=O)C2)CCO1 ZINC000408395764 358071523 /nfs/dbraw/zinc/07/15/23/358071523.db2.gz NNBWNFSBYSKVBC-UPJWGTAASA-N 1 0 292.383 0.896 10 0 CCAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](CO)C1 ZINC000408374994 358060648 /nfs/dbraw/zinc/06/06/48/358060648.db2.gz QUVXIQOQBYRRAL-NWDGAFQWSA-N 1 0 256.346 0.081 10 0 CCAERO Cc1cnc([C@H](C)[N@@H+]2CCC[C@@](O)(C(N)=O)C2)cn1 ZINC000408379534 358063297 /nfs/dbraw/zinc/06/32/97/358063297.db2.gz LRUBKCOLCBQYGP-GWCFXTLKSA-N 1 0 264.329 0.158 10 0 CCAERO CC[C@H]1CC[N@@H+]1CC(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000408383773 358065426 /nfs/dbraw/zinc/06/54/26/358065426.db2.gz XVRMLQONMAGSOR-STQMWFEESA-N 1 0 267.373 0.598 10 0 CCAERO CN(C)c1nc(C(=O)N2CC[NH2+]C(C)(C)C2)cc(=O)[nH]1 ZINC000408391607 358069054 /nfs/dbraw/zinc/06/90/54/358069054.db2.gz DMZZRZAEDGPKNK-UHFFFAOYSA-N 1 0 279.344 0.072 10 0 CCAERO CC[C@@H]1C[C@H]1NC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000408418248 358082967 /nfs/dbraw/zinc/08/29/67/358082967.db2.gz WBFCRUSSFIHIPU-YVECIDJPSA-N 1 0 269.389 0.881 10 0 CCAERO CNC(=O)NC(=O)CC[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000408203783 283346739 /nfs/dbraw/zinc/34/67/39/283346739.db2.gz LWOLCTQDWBESQK-NSHDSACASA-N 1 0 283.372 0.723 10 0 CCAERO C[NH+](C)C[C@H]1CN(C(=O)c2cnn3ccncc23)CCO1 ZINC000329272890 202260118 /nfs/dbraw/zinc/26/01/18/202260118.db2.gz ITOQSIYGZMBPNB-NSHDSACASA-N 1 0 289.339 0.132 10 0 CCAERO NC(=O)c1cnc(N2CC[NH2+]CC2)nc1C(F)(F)F ZINC000040543906 283388769 /nfs/dbraw/zinc/38/87/69/283388769.db2.gz BYZFLRCMWDYPCS-UHFFFAOYSA-N 1 0 275.234 0.004 10 0 CCAERO CCCS(=O)(=O)CC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261721447 283415026 /nfs/dbraw/zinc/41/50/26/283415026.db2.gz CKTHTWVMUFSPDT-JTQLQIEISA-N 1 0 276.402 0.397 10 0 CCAERO CN1CC[NH+](CCn2ncc3cc(N)ccc32)CC1 ZINC000584617790 359181242 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/nfs/dbraw/zinc/85/47/26/173854726.db2.gz DGPDFGVVTDKTNA-CYBMUJFWSA-N 1 0 284.381 0.744 10 0 CCAERO COc1ccc([C@@H]([NH2+]C[C@H]2CCCO2)C(N)=O)cc1 ZINC000037943161 173883528 /nfs/dbraw/zinc/88/35/28/173883528.db2.gz LJCGNMAMUSXKAG-CHWSQXEVSA-N 1 0 264.325 0.990 10 0 CCAERO COc1cccc([C@@](C)(C(N)=O)N2CC[NH2+]CC2)c1 ZINC000037951592 173892783 /nfs/dbraw/zinc/89/27/83/173892783.db2.gz OEJWALKWGPGCIY-AWEZNQCLSA-N 1 0 263.341 0.301 10 0 CCAERO C[C@@H](C[NH2+][C@@H]1CC(=O)N(C)C1=O)N1CCCCC1 ZINC000038029198 174019389 /nfs/dbraw/zinc/01/93/89/174019389.db2.gz OVHYWCWESZNONZ-WDEREUQCSA-N 1 0 253.346 0.208 10 0 CCAERO Cn1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000038049959 174061439 /nfs/dbraw/zinc/06/14/39/174061439.db2.gz BTRFVBPNWSJCST-WDEREUQCSA-N 1 0 257.359 0.573 10 0 CCAERO CC(C)OCCOC[C@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC000038094467 174108118 /nfs/dbraw/zinc/10/81/18/174108118.db2.gz SFTSDQGNEURKBL-QWHCGFSZSA-N 1 0 261.362 0.415 10 0 CCAERO CC(C)OCCOC[C@@H](O)C[NH2+]C[C@H]1CCOC1 ZINC000038094470 174108219 /nfs/dbraw/zinc/10/82/19/174108219.db2.gz SFTSDQGNEURKBL-OLZOCXBDSA-N 1 0 261.362 0.415 10 0 CCAERO CN(C)[C@@H](CNC(=O)[C@H]1CCC[NH2+]1)c1ccco1 ZINC000040430436 174259860 /nfs/dbraw/zinc/25/98/60/174259860.db2.gz DIKKJIPIMWMJDW-MNOVXSKESA-N 1 0 251.330 0.751 10 0 CCAERO C[C@H](O)CCNC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662470619 414721222 /nfs/dbraw/zinc/72/12/22/414721222.db2.gz HJNHODAVKFFZEO-QMMMGPOBSA-N 1 0 254.355 0.895 10 0 CCAERO [NH3+]C1(C(=O)N[C@@H]2CCCNC2=O)CC2(CCC2)C1 ZINC000662541535 414726847 /nfs/dbraw/zinc/72/68/47/414726847.db2.gz HLIHTLMZDBJNDB-SECBINFHSA-N 1 0 251.330 0.043 10 0 CCAERO [NH3+]C1(C(=O)NC[C@H]2CCC[C@H]2O)CC2(CCC2)C1 ZINC000662549541 414727589 /nfs/dbraw/zinc/72/75/89/414727589.db2.gz UDXFFCGSUPJEGP-GHMZBOCLSA-N 1 0 252.358 0.925 10 0 CCAERO CN1C[C@H](CNC(=O)[C@H](C[NH3+])c2ccccc2)CC1=O ZINC000662696408 414742969 /nfs/dbraw/zinc/74/29/69/414742969.db2.gz ZNXJQRUPFSLARK-WCQYABFASA-N 1 0 275.352 0.323 10 0 CCAERO CC(C)(C(=O)N1CC[C@H]2COC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000662710053 414744590 /nfs/dbraw/zinc/74/45/90/414744590.db2.gz FQXWLGCJHVQZFC-STQMWFEESA-N 1 0 281.400 0.165 10 0 CCAERO [NH3+]C1(C(=O)N2CCn3ccnc3C2)CC2(CCC2)C1 ZINC000662709303 414744664 /nfs/dbraw/zinc/74/46/64/414744664.db2.gz ANNZSMPVGAWSFY-UHFFFAOYSA-N 1 0 260.341 0.887 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000662711448 414744939 /nfs/dbraw/zinc/74/49/39/414744939.db2.gz NEEXFJOZNVMNCW-RVMXOQNASA-N 1 0 252.358 0.869 10 0 CCAERO C[C@H](C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)n1cccn1 ZINC000662975651 414929623 /nfs/dbraw/zinc/92/96/23/414929623.db2.gz JQDQVDMSFBDTBT-SFYZADRCSA-N 1 0 264.251 0.792 10 0 CCAERO C[C@@H]1CN(C(=O)[C@H]2CC[NH2+]C2)C[C@](C)(C(F)F)O1 ZINC000663001414 414941073 /nfs/dbraw/zinc/94/10/73/414941073.db2.gz TUJFREWCRFDBIJ-VDDIYKPWSA-N 1 0 262.300 0.867 10 0 CCAERO C[C@@]1(C(F)F)CN(C(=O)[C@@H]2C[NH2+]CCOC2)CCO1 ZINC000663001730 414941346 /nfs/dbraw/zinc/94/13/46/414941346.db2.gz ITKLPXFPFAYONX-SKDRFNHKSA-N 1 0 278.299 0.105 10 0 CCAERO C[C@@H]1C[C@H](C)CN(C2(C[NH3+])CCS(=O)(=O)CC2)C1 ZINC000042332195 174687697 /nfs/dbraw/zinc/68/76/97/174687697.db2.gz HGFWDIUDLNTDEZ-TXEJJXNPSA-N 1 0 274.430 0.870 10 0 CCAERO CC[C@@H](C)NC(=O)CC[NH2+]C1CCS(=O)CC1 ZINC000042354016 174692921 /nfs/dbraw/zinc/69/29/21/174692921.db2.gz VHBXHIRMZGOLIB-LJRHVDQYSA-N 1 0 260.403 0.792 10 0 CCAERO NS(=O)(=O)c1ccc(CC[NH2+]C[C@@H]2CCOC2)cc1 ZINC000042477339 174755949 /nfs/dbraw/zinc/75/59/49/174755949.db2.gz GOAMNECWKFFSQY-LBPRGKRZSA-N 1 0 284.381 0.503 10 0 CCAERO C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCOC2)C[C@](C)(C(F)F)O1 ZINC000663005740 414946466 /nfs/dbraw/zinc/94/64/66/414946466.db2.gz QISWDDOKYBEMGB-GIPNMCIBSA-N 1 0 292.326 0.494 10 0 CCAERO COCCN([C@@H](C)C1CC1)S(=O)(=O)CCCC[NH3+] ZINC000042680574 174835298 /nfs/dbraw/zinc/83/52/98/174835298.db2.gz GMEYHHGSNDZGKK-NSHDSACASA-N 1 0 278.418 0.802 10 0 CCAERO Cc1nsc(NCc2nc(C[NH3+])cc(=O)[nH]2)n1 ZINC000663276866 415033653 /nfs/dbraw/zinc/03/36/53/415033653.db2.gz DNPQOENLMQZUOC-UHFFFAOYSA-N 1 0 252.303 0.413 10 0 CCAERO C[NH2+]CCC(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000043599920 175077188 /nfs/dbraw/zinc/07/71/88/175077188.db2.gz KGSZWRWQCZFUEG-UHFFFAOYSA-N 1 0 256.327 0.638 10 0 CCAERO COCCN(CCC[NH3+])S(=O)(=O)c1cccnc1 ZINC000071223173 176088589 /nfs/dbraw/zinc/08/85/89/176088589.db2.gz FWSYGTNQVOXEMT-UHFFFAOYSA-N 1 0 273.358 0.068 10 0 CCAERO CC(C)(C)OC(=O)N1CC([NH2+]CCCS(C)(=O)=O)C1 ZINC000071335845 176127757 /nfs/dbraw/zinc/12/77/57/176127757.db2.gz JKXOJXUOXVLEIK-UHFFFAOYSA-N 1 0 292.401 0.630 10 0 CCAERO CCCn1c(C[NH3+])nnc1S[C@@H](CC)C(N)=O ZINC000071375525 176140169 /nfs/dbraw/zinc/14/01/69/176140169.db2.gz XRFWEJQQCITBDF-ZETCQYMHSA-N 1 0 257.363 0.503 10 0 CCAERO COC(=O)c1ccc(Cl)c(NC[C@H](O)C[NH3+])c1 ZINC000071584874 176210135 /nfs/dbraw/zinc/21/01/35/176210135.db2.gz WFYDPPAVLHMKHE-MRVPVSSYSA-N 1 0 258.705 0.858 10 0 CCAERO C[C@@H](C(=O)NCCC[NH3+])N1C(=O)c2ccccc2C1=O ZINC000074319906 176518246 /nfs/dbraw/zinc/51/82/46/176518246.db2.gz ZMVMDRKUEAAQLM-VIFPVBQESA-N 1 0 275.308 0.136 10 0 CCAERO CN(Cc1ccccc1)C[C@@H](C[NH3+])N1CCOCC1 ZINC000076678761 177056755 /nfs/dbraw/zinc/05/67/55/177056755.db2.gz BYWVAKYRSBUGPO-OAHLLOKOSA-N 1 0 263.385 0.778 10 0 CCAERO COc1ccc(N(CC[NH3+])S(C)(=O)=O)c(OC)c1 ZINC000076720057 177069325 /nfs/dbraw/zinc/06/93/25/177069325.db2.gz DDIRGHRJPGLDOY-UHFFFAOYSA-N 1 0 274.342 0.429 10 0 CCAERO COc1ccc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2O)c(C)c1 ZINC000077537635 177279144 /nfs/dbraw/zinc/27/91/44/177279144.db2.gz MAWDDFQJMMSJCJ-CHWSQXEVSA-N 1 0 264.325 0.456 10 0 CCAERO CCS(=O)(=O)NC1CCC2(CC1)C[NH2+]CCO2 ZINC000725243662 545873978 /nfs/dbraw/zinc/87/39/78/545873978.db2.gz BHWZLPBCBYKETH-UHFFFAOYSA-N 1 0 262.375 0.227 10 0 CCAERO CS(=O)(=O)c1cnn([C@H](C[NH3+])c2ccccc2F)c1 ZINC000725251736 545877030 /nfs/dbraw/zinc/87/70/30/545877030.db2.gz GBLHQRHCKXHKJM-GFCCVEGCSA-N 1 0 283.328 0.974 10 0 CCAERO C[C@H]1CC(n2cc(S(C)(=O)=O)cn2)C[C@H](C)[NH2+]1 ZINC000725252999 545878252 /nfs/dbraw/zinc/87/82/52/545878252.db2.gz QLENYAOINIBCHA-IUCAKERBSA-N 1 0 257.359 0.988 10 0 CCAERO CC(C)(CCn1cc(S(C)(=O)=O)cn1)C(N)=[NH2+] ZINC000725252815 545878526 /nfs/dbraw/zinc/87/85/26/545878526.db2.gz YBVAGALPURVTDC-UHFFFAOYSA-N 1 0 258.347 0.639 10 0 CCAERO CCC[NH2+]C[C@H](O)CCCn1cc(S(C)(=O)=O)cn1 ZINC000725253578 545878987 /nfs/dbraw/zinc/87/89/87/545878987.db2.gz XRXXHMNGHYQFSP-LLVKDONJSA-N 1 0 289.401 0.427 10 0 CCAERO COCCNC(=O)N[C@H]1CC[NH2+]CC[C@@H]1C(F)(F)F ZINC000725262898 545883563 /nfs/dbraw/zinc/88/35/63/545883563.db2.gz RHUPTMWCONYEKR-IUCAKERBSA-N 1 0 283.294 0.863 10 0 CCAERO C[C@H]1C[NH2+]CC2(CCN(S(=O)(=O)C3CC3)CC2)O1 ZINC000725272325 545887703 /nfs/dbraw/zinc/88/77/03/545887703.db2.gz OWRGBSWYOUPMCT-JTQLQIEISA-N 1 0 274.386 0.322 10 0 CCAERO C[C@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000725272433 545887773 /nfs/dbraw/zinc/88/77/73/545887773.db2.gz QCESQTMCBQJFTI-VHSXEESVSA-N 1 0 256.346 0.914 10 0 CCAERO CCOC(=O)C1CCN([C@H]2COC[C@H]2C[NH+](C)C)CC1 ZINC000725273737 545888991 /nfs/dbraw/zinc/88/89/91/545888991.db2.gz YPQOGCRYYJJSEX-KGLIPLIRSA-N 1 0 284.400 0.838 10 0 CCAERO CCOC(=O)C1CCN([C@@H]2COC[C@H]2C[NH+](C)C)CC1 ZINC000725273739 545889019 /nfs/dbraw/zinc/88/90/19/545889019.db2.gz YPQOGCRYYJJSEX-ZIAGYGMSSA-N 1 0 284.400 0.838 10 0 CCAERO C[C@@H]([NH2+][C@H]1CCCNC1=O)c1cccc(-n2cnnn2)c1 ZINC000050394452 544438310 /nfs/dbraw/zinc/43/83/10/544438310.db2.gz IAUVHOGWPBECFY-MFKMUULPSA-N 1 0 286.339 0.592 10 0 CCAERO C[NH2+][C@@H](C)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000054076420 544441421 /nfs/dbraw/zinc/44/14/21/544441421.db2.gz VCSAMYIHZBZEBD-ZJUUUORDSA-N 1 0 284.381 0.875 10 0 CCAERO CC(=O)N[C@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000054308032 544443344 /nfs/dbraw/zinc/44/33/44/544443344.db2.gz IDKKZWFLKXYPJS-STQMWFEESA-N 1 0 267.373 0.503 10 0 CCAERO C[C@@H](C[NH2+][C@@H](C)c1ccnn1C)N1CCOCC1 ZINC000192634566 228202316 /nfs/dbraw/zinc/20/23/16/228202316.db2.gz DQXGTSXSVCIXGL-RYUDHWBXSA-N 1 0 252.362 0.791 10 0 CCAERO CC[C@@H]1CCC[C@@H](NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)C1 ZINC000085069415 544493704 /nfs/dbraw/zinc/49/37/04/544493704.db2.gz DEEOOWOCENFLLF-IJLUTSLNSA-N 1 0 290.429 0.833 10 0 CCAERO COc1ccc([C@@H](C)NC(=O)COCC[NH3+])cc1OC ZINC000093231819 544540560 /nfs/dbraw/zinc/54/05/60/544540560.db2.gz JNJYJKFHRISLDE-SNVBAGLBSA-N 1 0 282.340 0.856 10 0 CCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCC(C)(C)S(C)(=O)=O ZINC000094648781 544546293 /nfs/dbraw/zinc/54/62/93/544546293.db2.gz UUXVGHSOGDGSCG-ZJUUUORDSA-N 1 0 276.402 0.314 10 0 CCAERO C[C@H](CN1CCOCC1)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089451696 544512778 /nfs/dbraw/zinc/51/27/78/544512778.db2.gz PZUKFHATROOLNG-UPJWGTAASA-N 1 0 269.389 0.198 10 0 CCAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000089452016 544513071 /nfs/dbraw/zinc/51/30/71/544513071.db2.gz OOTADJUKBMUSOE-MFKMUULPSA-N 1 0 286.339 0.976 10 0 CCAERO CC[C@H](C)NC(=O)CCNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089458136 544514127 /nfs/dbraw/zinc/51/41/27/544514127.db2.gz NRQTUZCCYUAZAR-TUAOUCFPSA-N 1 0 269.389 0.782 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000126137911 544594348 /nfs/dbraw/zinc/59/43/48/544594348.db2.gz ZSJPXLJPIBFJHQ-UWVGGRQHSA-N 1 0 262.375 0.005 10 0 CCAERO CC(C)NC(=O)CCNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000135362214 544635260 /nfs/dbraw/zinc/63/52/60/544635260.db2.gz QCOSWJBUBQJIBT-QWRGUYRKSA-N 1 0 255.362 0.392 10 0 CCAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1cnn(C)c1N ZINC000148580670 544647478 /nfs/dbraw/zinc/64/74/78/544647478.db2.gz WPTUMLMVDCHKAP-GHMZBOCLSA-N 1 0 277.372 0.701 10 0 CCAERO CC(=O)N[C@H](C(=O)N[C@@H]1CCC[C@@H]1C[NH3+])C(C)C ZINC000157839056 544685724 /nfs/dbraw/zinc/68/57/24/544685724.db2.gz ORNRPPGWGZBAIK-UTUOFQBUSA-N 1 0 255.362 0.391 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCC[C@H]1C(=O)N(C)C ZINC000136314042 544637398 /nfs/dbraw/zinc/63/73/98/544637398.db2.gz NSNRLTCVZXPFOO-QWRGUYRKSA-N 1 0 255.362 0.439 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000136325256 544637781 /nfs/dbraw/zinc/63/77/81/544637781.db2.gz NVGVGNVVXIJCLP-JTQLQIEISA-N 1 0 285.369 0.797 10 0 CCAERO CC(=O)N[C@@H]1CCCN(C(=O)C[C@H]([NH3+])C(C)C)C1 ZINC000136395302 544638351 /nfs/dbraw/zinc/63/83/51/544638351.db2.gz YJXHGFMUSSZACW-NEPJUHHUSA-N 1 0 255.362 0.487 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)NCCCC(=O)NC1CC1 ZINC000136486024 544639234 /nfs/dbraw/zinc/63/92/34/544639234.db2.gz VUIWCHUJNLGBPX-NSHDSACASA-N 1 0 255.362 0.535 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000136386015 544639284 /nfs/dbraw/zinc/63/92/84/544639284.db2.gz JKAQFLBOVJXBBS-VXGBXAGGSA-N 1 0 267.373 0.629 10 0 CCAERO CCN1CCO[C@H](C[NH2+]Cc2cnc(N(C)C)n2C)C1 ZINC000165899385 544723792 /nfs/dbraw/zinc/72/37/92/544723792.db2.gz WAAHHKMNYLUCPG-CYBMUJFWSA-N 1 0 281.404 0.296 10 0 CCAERO C[C@@H]1C[C@@H]1NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000179310671 544751853 /nfs/dbraw/zinc/75/18/53/544751853.db2.gz ZGBYVEHFFVOYBC-YPMHNXCESA-N 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256.346 0.081 10 0 CCAERO COCCNc1ccnc(N[C@@H]2CCC[NH2+]C2)n1 ZINC000057330452 277535678 /nfs/dbraw/zinc/53/56/78/277535678.db2.gz SPMXETVBWRTMRD-SNVBAGLBSA-N 1 0 251.334 0.699 10 0 CCAERO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(C)CCO2)CN1C1CC1 ZINC000119265800 278026516 /nfs/dbraw/zinc/02/65/16/278026516.db2.gz ZQDNAOKLOPUQGR-MBNYWOFBSA-N 1 0 253.390 0.532 10 0 CCAERO COc1ccnc(N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC000284848433 278066527 /nfs/dbraw/zinc/06/65/27/278066527.db2.gz DNUYJPYKTCEMJC-GHMZBOCLSA-N 1 0 264.329 0.395 10 0 CCAERO C[C@H](NC(=O)N[C@H]1CC[C@H]([NH+](C)C)C1)c1nc[nH]n1 ZINC000332835879 278246601 /nfs/dbraw/zinc/24/66/01/278246601.db2.gz XQDWAOQQZYFXGA-GUBZILKMSA-N 1 0 266.349 0.648 10 0 CCAERO CC1(C)CC[C@H](C[N@@H+]2CCC[C@@](O)(C(N)=O)C2)O1 ZINC000311197913 278276782 /nfs/dbraw/zinc/27/67/82/278276782.db2.gz JASOTZQPLPSESO-MFKMUULPSA-N 1 0 256.346 0.256 10 0 CCAERO C[C@H]1CCC[N@H+](CC2CCS(=O)(=O)CC2)[C@H]1CO ZINC000407948367 278341562 /nfs/dbraw/zinc/34/15/62/278341562.db2.gz GNJOQFYXIWSPAL-AAEUAGOBSA-N 1 0 275.414 0.904 10 0 CCAERO C[C@H]1CCN(C(=O)CN2CCCC2=O)[C@H](C[NH3+])C1 ZINC000235606688 278357825 /nfs/dbraw/zinc/35/78/25/278357825.db2.gz SNFNAQGLHIRBRW-QWRGUYRKSA-N 1 0 253.346 0.195 10 0 CCAERO C[C@H]1CCc2nc(NC(=O)CNC(=O)C[NH3+])sc2C1 ZINC000262639536 278389494 /nfs/dbraw/zinc/38/94/94/278389494.db2.gz HKQDAHRXBWNFNL-ZETCQYMHSA-N 1 0 282.369 0.281 10 0 CCAERO Cc1n[nH]cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1[NH3+] ZINC000038050221 278580976 /nfs/dbraw/zinc/58/09/76/278580976.db2.gz AUKRFQWQWKVVPH-IUCAKERBSA-N 1 0 258.347 0.266 10 0 CCAERO CCN(CCC[NH+](CC)CC)C(=O)[C@@H]1CNC(=O)C1 ZINC000230728417 279093579 /nfs/dbraw/zinc/09/35/79/279093579.db2.gz AJLQNHAALWBADL-LBPRGKRZSA-N 1 0 269.389 0.703 10 0 CCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCNC(=O)[C@@H]1C ZINC000106534929 279124504 /nfs/dbraw/zinc/12/45/04/279124504.db2.gz YFOWFUOPVTWSIE-NWDGAFQWSA-N 1 0 284.404 0.493 10 0 CCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](C)NS(C)(=O)=O ZINC000074229899 279131148 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CC[C@]1(C(=O)N2CC[C@H](N3CCOCC3)C2)CCC[NH2+]1 ZINC000122116998 281300994 /nfs/dbraw/zinc/30/09/94/281300994.db2.gz CNZJDNRXTTXLDE-DZGCQCFKSA-N 1 0 281.400 0.452 10 0 CCAERO CCC(=O)N1CCCN(C(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085369795 281899024 /nfs/dbraw/zinc/89/90/24/281899024.db2.gz QKYZWMQFTXZZIE-RYUDHWBXSA-N 1 0 267.373 0.585 10 0 CCAERO CCC(C)(C)[C@@H]1CCC[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000156774683 282035173 /nfs/dbraw/zinc/03/51/73/282035173.db2.gz IQNFCFFFNNOQCG-LBPRGKRZSA-N 1 0 281.400 0.845 10 0 CCAERO CN(C(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333472841 288857846 /nfs/dbraw/zinc/85/78/46/288857846.db2.gz AODNQFZZAUOBBH-VOAKCMCISA-N 1 0 299.415 0.554 10 0 CCAERO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)[C@H]1CCCO[C@@H]1C ZINC000408124036 289038714 /nfs/dbraw/zinc/03/87/14/289038714.db2.gz LVOQOHFSRNEVBE-YIYPIFLZSA-N 1 0 284.400 0.715 10 0 CCAERO C[C@H](C(=O)N1CCCCCC1)[N@@H+]1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000408048401 289267313 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CS[C@@H]1CN(C(=O)[C@@H]2CCCCC(=O)N2)C[C@H]1[NH+](C)C ZINC000363923376 295646099 /nfs/dbraw/zinc/64/60/99/295646099.db2.gz GHRHMJAUUGRXIJ-QJPTWQEYSA-N 1 0 299.440 0.549 10 0 CCAERO C[C@@H]1CN(CC[N@@H+]2C[C@H](O)CC[C@@H]2C)C[C@@H](C)O1 ZINC000399349746 545089408 /nfs/dbraw/zinc/08/94/08/545089408.db2.gz XZYNWYLZKHKZOJ-REWJHTLYSA-N 1 0 256.390 0.941 10 0 CCAERO COCc1cc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)no1 ZINC000401785151 545090334 /nfs/dbraw/zinc/09/03/34/545090334.db2.gz SSVKMHNQMXNBIA-ZETCQYMHSA-N 1 0 267.207 0.440 10 0 CCAERO COCCOC[C@H](O)C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000580065984 327689275 /nfs/dbraw/zinc/68/92/75/327689275.db2.gz GNUKBHADVFHKBY-XJFOESAGSA-N 1 0 275.389 0.804 10 0 CCAERO c1cnc2c(c1)nccc2NC[C@@H]1C[NH2+]CCCO1 ZINC000390232861 328966955 /nfs/dbraw/zinc/96/69/55/328966955.db2.gz PVDYQCRHCVJWRD-NSHDSACASA-N 1 0 258.325 0.842 10 0 CCAERO CC(C)(C(=O)N[C@@H]1C[C@H]2C[C@H]2C1)N1CC[NH2+]CC1 ZINC000397777229 329393460 /nfs/dbraw/zinc/39/34/60/329393460.db2.gz 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CCN(C(=O)C[NH2+][C@@H]1CCN2CCC[C@H]12)C1CC1 ZINC000049567420 519915809 /nfs/dbraw/zinc/91/58/09/519915809.db2.gz VRSHILZNLWOBRJ-CHWSQXEVSA-N 1 0 251.374 0.824 10 0 CCAERO CC[NH2+]C[C@H](C)C(=O)NCCC(=O)N1CCCC1 ZINC000061267061 519962024 /nfs/dbraw/zinc/96/20/24/519962024.db2.gz OSQYOHWUZUQVAJ-NSHDSACASA-N 1 0 255.362 0.361 10 0 CCAERO CC(C)n1cc(NC(=O)[C@@H](C)N2CC[NH2+]CC2)cn1 ZINC000061684000 519963794 /nfs/dbraw/zinc/96/37/94/519963794.db2.gz JBAURZROJAUYDG-LLVKDONJSA-N 1 0 265.361 0.696 10 0 CCAERO CCNS(=O)(=O)c1ccc(O[C@H](C)C[NH2+]C)cc1 ZINC000051867453 520053626 /nfs/dbraw/zinc/05/36/26/520053626.db2.gz BDXLWNXJJQVDHR-SNVBAGLBSA-N 1 0 272.370 0.972 10 0 CCAERO CCN[C@@H](CC[N@@H+]1CCC[C@H](OCC)C1)C(N)=O ZINC000062527227 520088619 /nfs/dbraw/zinc/08/86/19/520088619.db2.gz OAFBKGQAWBZHGA-RYUDHWBXSA-N 1 0 257.378 0.341 10 0 CCAERO CCO[C@@H](C[NH3+])CN1CCN(CC(F)(F)F)CC1 ZINC000062739938 520311097 /nfs/dbraw/zinc/31/10/97/520311097.db2.gz NTQSLCYNUNVMFA-JTQLQIEISA-N 1 0 269.311 0.530 10 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GIJKQYKHCMDUID-UHFFFAOYSA-N 1 0 262.306 0.795 10 0 CCAERO CC[C@@H](C)[NH+]1CCN(C(=O)c2c(C)[nH]nc2N)CC1 ZINC000055084742 522115557 /nfs/dbraw/zinc/11/55/57/522115557.db2.gz CWWRMNOHTRLMIL-SECBINFHSA-N 1 0 265.361 0.857 10 0 CCAERO CNS(=O)(=O)CC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000309650509 522208599 /nfs/dbraw/zinc/20/85/99/522208599.db2.gz NYAADKJGLXTDAW-ZJUUUORDSA-N 1 0 252.355 0.654 10 0 CCAERO C[NH2+][C@@H](CN1CCC(C[NH+]2CCCC2)CC1)C(=O)[O-] ZINC000062034998 522354029 /nfs/dbraw/zinc/35/40/29/522354029.db2.gz QYXPJOKNTKAHKL-ZDUSSCGKSA-N 1 0 269.389 0.467 10 0 CCAERO CC[C@H]([NH2+]C)c1cnn([C@H]2CCS(=O)(=O)C2)c1 ZINC000054722169 522556344 /nfs/dbraw/zinc/55/63/44/522556344.db2.gz BQEIHKOPXUSRIX-QWRGUYRKSA-N 1 0 257.359 0.913 10 0 CCAERO COCCCNC(=O)C[NH2+][C@@H](C)CN1CCCC1 ZINC000049283047 523326540 /nfs/dbraw/zinc/32/65/40/523326540.db2.gz RCVGNXJWHDXAOP-LBPRGKRZSA-N 1 0 257.378 0.213 10 0 CCAERO CN(Cc1ccoc1)S(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000049644743 523474447 /nfs/dbraw/zinc/47/44/47/523474447.db2.gz UXUUMEBVMHSTHB-NSHDSACASA-N 1 0 258.343 0.793 10 0 CCAERO COC(=O)[C@@H](NC(=O)[C@]1(F)CC[NH2+]C1)c1ccccc1 ZINC000151081249 523616080 /nfs/dbraw/zinc/61/60/80/523616080.db2.gz HKWQEPWLSXCZLJ-FZMZJTMJSA-N 1 0 280.299 0.719 10 0 CCAERO COCCN(CCOC)c1ccnc(C(N)=[NH2+])c1 ZINC000061814186 523724923 /nfs/dbraw/zinc/72/49/23/523724923.db2.gz AZLKMVHSBHWLQN-UHFFFAOYSA-N 1 0 252.318 0.465 10 0 CCAERO COCCNC(=O)COc1ccc(Cl)cc1C[NH3+] ZINC000049277687 523897886 /nfs/dbraw/zinc/89/78/86/523897886.db2.gz BULURKGMVVZMQP-UHFFFAOYSA-N 1 0 272.732 0.940 10 0 CCAERO COCC[NH2+]Cc1cccc(O[C@H](C)C(N)=O)c1 ZINC000062731622 523954836 /nfs/dbraw/zinc/95/48/36/523954836.db2.gz QZPRBKSHPDXTCV-SNVBAGLBSA-N 1 0 252.314 0.675 10 0 CCAERO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](CN(C)C)C(C)C ZINC000049205315 524078280 /nfs/dbraw/zinc/07/82/80/524078280.db2.gz FFTXYYAFEHRIGK-UWVGGRQHSA-N 1 0 258.366 0.006 10 0 CCAERO C[C@@H](C(=O)Nc1cc(C(N)=O)ccc1F)C1C[NH2+]C1 ZINC000164004257 524243863 /nfs/dbraw/zinc/24/38/63/524243863.db2.gz XCTXBBMAHACPOI-SSDOTTSWSA-N 1 0 265.288 0.719 10 0 CCAERO C[C@@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)NC1CCS(=O)(=O)CC1 ZINC000055129778 524685746 /nfs/dbraw/zinc/68/57/46/524685746.db2.gz PKSRGGLOLVNSOD-SCVCMEIPSA-N 1 0 288.413 0.443 10 0 CCAERO Cc1ccccc1[C@@H]([NH3+])Cn1ccn(C)c(=O)c1=O ZINC000061796931 525367778 /nfs/dbraw/zinc/36/77/78/525367778.db2.gz MJXAIAFMNHPNLA-LBPRGKRZSA-N 1 0 259.309 0.555 10 0 CCAERO Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)s1 ZINC000049185454 525906606 /nfs/dbraw/zinc/90/66/06/525906606.db2.gz FNZSEGGFJDMJLJ-GUBZILKMSA-N 1 0 254.355 0.957 10 0 CCAERO Cc1nnc(SCC[C@H]([NH2+]C(C)C)C(N)=O)o1 ZINC000062602772 526385492 /nfs/dbraw/zinc/38/54/92/526385492.db2.gz DXXYDMPCNDYDEU-QMMMGPOBSA-N 1 0 258.347 0.712 10 0 CCAERO NC(=O)NC(=O)CC[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000157807700 526922184 /nfs/dbraw/zinc/92/21/84/526922184.db2.gz XTVFBIHCYGCSSW-VIFPVBQESA-N 1 0 282.369 0.908 10 0 CCAERO Cn1c(SCc2ccccc2C(N)=[NH2+])n[nH]c1=O ZINC000061592876 527088209 /nfs/dbraw/zinc/08/82/09/527088209.db2.gz SQSFHGNFEDOPOC-UHFFFAOYSA-N 1 0 263.326 0.685 10 0 CCAERO [NH3+]CCCN(CC(=O)NCC(F)(F)F)C1CC1 ZINC000049309666 527179031 /nfs/dbraw/zinc/17/90/31/527179031.db2.gz OPNFSCJQZBGQCA-UHFFFAOYSA-N 1 0 253.268 0.478 10 0 CCAERO [NH3+]Cc1cn(CCN(CC(F)(F)F)C2CC2)nn1 ZINC000052503562 527261947 /nfs/dbraw/zinc/26/19/47/527261947.db2.gz QBRMECQKBKXHFA-UHFFFAOYSA-N 1 0 263.267 0.764 10 0 CCAERO CC(C)CNC(=O)NC(=O)C[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000401914587 528046291 /nfs/dbraw/zinc/04/62/91/528046291.db2.gz RUQDSKGGVQQKJQ-GHMZBOCLSA-N 1 0 271.361 0.171 10 0 CCAERO CC1CC[NH+](CC(=O)N2C[C@@H](F)C[C@H]2CO)CC1 ZINC000334234563 528229465 /nfs/dbraw/zinc/22/94/65/528229465.db2.gz ZXFQAEICARVYOD-RYUDHWBXSA-N 1 0 258.337 0.650 10 0 CCAERO CC(C)[NH+]1CCC(C(=O)N[C@H]2CCc3ncnn3C2)CC1 ZINC000174815557 528988401 /nfs/dbraw/zinc/98/84/01/528988401.db2.gz RQAQFYNOMAVKBV-ZDUSSCGKSA-N 1 0 291.399 0.830 10 0 CCAERO CCOC(=O)C(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000675054836 545320416 /nfs/dbraw/zinc/32/04/16/545320416.db2.gz JSOXALGDOXCJIV-UHFFFAOYSA-N 1 0 254.330 0.683 10 0 CCAERO CC(C)[C@@H](C)NC(=O)N1CC(N2CC[NH2+]CC2)C1 ZINC000675053825 545320497 /nfs/dbraw/zinc/32/04/97/545320497.db2.gz MPOYQHGIHIEPTO-LLVKDONJSA-N 1 0 254.378 0.330 10 0 CCAERO CC1(C(=O)N2C[C@@H]3[C@@](C[NH3+])(C2)CCCS3(=O)=O)CC1 ZINC000675073795 545321091 /nfs/dbraw/zinc/32/10/91/545321091.db2.gz UHQGFPVREHZDIT-MFKMUULPSA-N 1 0 286.397 0.151 10 0 CCAERO Cc1cc(C[NH2+][C@H]2CCCN(CCO)C2)nn1C ZINC000676038746 545333936 /nfs/dbraw/zinc/33/39/36/545333936.db2.gz DDJNMZNMAUFKLS-LBPRGKRZSA-N 1 0 252.362 0.275 10 0 CCAERO CCN1CCC[C@@H]([NH2+]C2CCS(=O)(=O)CC2)C1 ZINC000040502654 535539230 /nfs/dbraw/zinc/53/92/30/535539230.db2.gz XMNCRJZYNKRBBH-GFCCVEGCSA-N 1 0 260.403 0.638 10 0 CCAERO CCO[C@H](C)c1ncc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)s1 ZINC000262278670 535569714 /nfs/dbraw/zinc/56/97/14/535569714.db2.gz NQDIGRGGWBOEKH-KXUCPTDWSA-N 1 0 299.396 0.551 10 0 CCAERO CCCn1nc(C)c(CNC[C@@H]2C[NH2+]C[C@@H]2O)c1C ZINC000263204777 535624930 /nfs/dbraw/zinc/62/49/30/535624930.db2.gz JOYGBHGQNUQVAN-OCCSQVGLSA-N 1 0 266.389 0.580 10 0 CCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN([C@@H](CC)CO)CC1 ZINC000262515928 535846027 /nfs/dbraw/zinc/84/60/27/535846027.db2.gz CPPJLTRAORXZIW-RWMBFGLXSA-N 1 0 271.405 0.275 10 0 CCAERO CNC(=O)NC(=O)[C@@H](C)N1CCC([NH+]2CCCC2)CC1 ZINC000076679964 536325172 /nfs/dbraw/zinc/32/51/72/536325172.db2.gz RJCPDTXRUITBQS-LLVKDONJSA-N 1 0 282.388 0.391 10 0 CCAERO C[NH2+][C@@H](C)CNC(=O)Cn1ncc(=O)c2ccccc21 ZINC000261615435 536339997 /nfs/dbraw/zinc/33/99/97/536339997.db2.gz ASYDNRWLABAGFH-JTQLQIEISA-N 1 0 274.324 0.121 10 0 CCAERO C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000304614370 536373328 /nfs/dbraw/zinc/37/33/28/536373328.db2.gz KKTTZPORRCCTLL-JHJVBQTASA-N 1 0 269.389 0.931 10 0 CCAERO C[NH2+][C@H](C)CNS(=O)(=O)c1cccc2nonc21 ZINC000261668273 536404126 /nfs/dbraw/zinc/40/41/26/536404126.db2.gz GMNDWGOKRIYLNU-SSDOTTSWSA-N 1 0 270.314 0.109 10 0 CCAERO COC[C@@H]([NH3+])C(=O)N1CCC[C@@H](n2cccn2)C1 ZINC000262342050 536655964 /nfs/dbraw/zinc/65/59/64/536655964.db2.gz SVMBHOJMRNAKGW-GHMZBOCLSA-N 1 0 252.318 0.020 10 0 CCAERO COC[C@@H]([NH3+])C(=O)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000263255586 536656045 /nfs/dbraw/zinc/65/60/45/536656045.db2.gz QMADSTNKCLUJCU-CABCVRRESA-N 1 0 292.379 0.932 10 0 CCAERO COCCOc1ccccc1CNC[C@H]1C[NH2+]C[C@H]1O ZINC000263313381 536733161 /nfs/dbraw/zinc/73/31/61/536733161.db2.gz ZCHZSJPPPURUNK-UONOGXRCSA-N 1 0 280.368 0.382 10 0 CCAERO COc1cc(CNC[C@H]2C[NH2+]C[C@H]2O)cc(OC)c1 ZINC000262168694 536801055 /nfs/dbraw/zinc/80/10/55/536801055.db2.gz UVEMXZSRDZPXAD-SMDDNHRTSA-N 1 0 266.341 0.374 10 0 CCAERO COCc1nc(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)cs1 ZINC000683933010 545587498 /nfs/dbraw/zinc/58/74/98/545587498.db2.gz QEPRPCHZTSVUBS-SKDRFNHKSA-N 1 0 272.370 0.919 10 0 CCAERO COC1(C[NH2+]C2CCN(CCO)CC2)CCCC1 ZINC000398963051 581206239 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CC[NH+](CC)[C@@H](C)CNC(=O)NCCS(=O)(=O)CC ZINC000069694390 638408254 /nfs/dbraw/zinc/40/82/54/638408254.db2.gz PJJGWZNUZWMRKC-NSHDSACASA-N 1 0 293.433 0.451 10 0 CCAERO C[C@H]([NH2+]CC(=O)N1CCC2(CC1)OCCO2)[C@@H]1CCCO1 ZINC000183143941 638529894 /nfs/dbraw/zinc/52/98/94/638529894.db2.gz LCPQSPKURBKRBJ-STQMWFEESA-N 1 0 298.383 0.509 10 0 CCAERO O=S(=O)(N[C@H]1COc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000078802738 649497012 /nfs/dbraw/zinc/49/70/12/649497012.db2.gz NNEAAPKNWPXINH-JQWIXIFHSA-N 1 0 282.365 0.792 10 0 CCAERO C[NH+](C)C[C@H]1CN(C(=O)C[C@@H]2CCCOC2)CCO1 ZINC000193286066 649532850 /nfs/dbraw/zinc/53/28/50/649532850.db2.gz FITXZNVMCGGTHZ-STQMWFEESA-N 1 0 270.373 0.592 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CSCN2C(C)=O)C1 ZINC000245387612 649641195 /nfs/dbraw/zinc/64/11/95/649641195.db2.gz ZCVMWVBUALQYHX-VXGBXAGGSA-N 1 0 285.413 0.508 10 0 CCAERO CC(C)NC(=O)CNC(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089387828 649653842 /nfs/dbraw/zinc/65/38/42/649653842.db2.gz 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[NH3+]C1(C(=O)NC[C@H](O)c2ccccc2)CCOCC1 ZINC000127742969 187330116 /nfs/dbraw/zinc/33/01/16/187330116.db2.gz VRSMHWYCDFJNQH-LBPRGKRZSA-N 1 0 264.325 0.344 10 0 CCAERO O=C(NCCc1ccncc1)[C@@H]1CCO[C@@H]2CC[NH2+]C[C@@H]21 ZINC000096066421 185084709 /nfs/dbraw/zinc/08/47/09/185084709.db2.gz SAGVSPKLEJBCKL-RBSFLKMASA-N 1 0 289.379 0.755 10 0 CCAERO Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])CC2 ZINC000261785468 282122471 /nfs/dbraw/zinc/12/24/71/282122471.db2.gz PTANMIOZMBYRTD-IJLUTSLNSA-N 1 0 277.372 0.393 10 0 CCAERO CCOc1ncnc2c1CCN(C(=O)C[NH+](C)C)CC2 ZINC000096084058 185092536 /nfs/dbraw/zinc/09/25/36/185092536.db2.gz HZUNBUCSZNFDGQ-UHFFFAOYSA-N 1 0 278.356 0.364 10 0 CCAERO NC(=O)[C@H]1CCCCN1C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000093677160 349550126 /nfs/dbraw/zinc/55/01/26/349550126.db2.gz RVEARFREHOIUME-PSEXLTFBSA-N 1 0 279.384 0.774 10 0 CCAERO COC(CNC(=O)[C@@H]([NH3+])c1ccc(C)cc1)OC ZINC000083392513 178399106 /nfs/dbraw/zinc/39/91/06/178399106.db2.gz OPBLEMMFRIJTBV-LBPRGKRZSA-N 1 0 252.314 0.730 10 0 CCAERO Cc1cc(Cl)nc(S(=O)(=O)[C@@H]2CC[NH2+]C2)n1 ZINC000095069370 349586498 /nfs/dbraw/zinc/58/64/98/349586498.db2.gz MEQKIKKPDKBPFO-SSDOTTSWSA-N 1 0 261.734 0.574 10 0 CCAERO Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC[NH2+]2)nn1 ZINC000095069100 349586581 /nfs/dbraw/zinc/58/65/81/349586581.db2.gz WVSYHVFPHOXWPY-JTQLQIEISA-N 1 0 270.358 0.205 10 0 CCAERO CN(C1CC[NH2+]CC1)S(=O)(=O)Cc1cccnc1 ZINC000095070684 349587113 /nfs/dbraw/zinc/58/71/13/349587113.db2.gz LJFUQIKVBUDYDS-UHFFFAOYSA-N 1 0 269.370 0.595 10 0 CCAERO CN(C[C@@H]1CC[NH2+]C1)C1=NS(=O)(=O)c2ccccc21 ZINC000095071268 349587220 /nfs/dbraw/zinc/58/72/20/349587220.db2.gz HWQGMBQONBLDBO-SNVBAGLBSA-N 1 0 279.365 0.677 10 0 CCAERO COC(=O)c1cnc2[nH]ccc2c1N1CC[NH2+]CC1 ZINC000095937291 349615880 /nfs/dbraw/zinc/61/58/80/349615880.db2.gz SBSIPJNQFJSVBJ-UHFFFAOYSA-N 1 0 260.297 0.759 10 0 CCAERO CC[C@H]1C[NH2+][C@H](C)CN1C[C@@H]1CCS(=O)(=O)C1 ZINC000083441191 178453487 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VJPQHRJMZBOTTP-TZMCWYRMSA-N 1 0 263.341 0.315 10 0 CCAERO O[C@H]1C[NH2+]C[C@H]1CNCc1cnc(-c2ccccn2)s1 ZINC000263305540 137063401 /nfs/dbraw/zinc/06/34/01/137063401.db2.gz XUJRPJWBIZKQTG-MFKMUULPSA-N 1 0 290.392 0.875 10 0 CCAERO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1C[NH2+]C1 ZINC000263320029 137063747 /nfs/dbraw/zinc/06/37/47/137063747.db2.gz RDHRRDJWHLEGKL-HNNXBMFYSA-N 1 0 273.380 0.987 10 0 CCAERO O=C(NCCc1ccn(-c2ccc(F)cc2)n1)C1C[NH2+]C1 ZINC000263314755 137063826 /nfs/dbraw/zinc/06/38/26/137063826.db2.gz QAYWLQQUTNSURL-UHFFFAOYSA-N 1 0 288.326 0.890 10 0 CCAERO COC(=O)CC[C@@H](Cc1ccccc1)NC(=O)C1C[NH2+]C1 ZINC000263342550 137064434 /nfs/dbraw/zinc/06/44/34/137064434.db2.gz YAHVYLPQYRRAIT-AWEZNQCLSA-N 1 0 290.363 0.887 10 0 CCAERO COC(=O)c1cncnc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000302394044 137069935 /nfs/dbraw/zinc/06/99/35/137069935.db2.gz PULIXSXLYXVPMB-JTQLQIEISA-N 1 0 262.313 0.548 10 0 CCAERO C[C@H]1CCC[N@H+](CC(=O)NC2CCOCC2)[C@@H]1CO ZINC000305731917 137070888 /nfs/dbraw/zinc/07/08/88/137070888.db2.gz NTYFJGXKIXYAPG-WCQYABFASA-N 1 0 270.373 0.374 10 0 CCAERO CO[C@H]1C[C@@H](CO)[N@H+](CC(=O)N2CCC(C)CC2)C1 ZINC000311841279 137075896 /nfs/dbraw/zinc/07/58/96/137075896.db2.gz QTMLZKGWXXFVJN-STQMWFEESA-N 1 0 270.373 0.327 10 0 CCAERO Cc1cc(-c2nc([C@H]3C[NH2+]CCN3C)no2)nn1C ZINC000263195647 137060006 /nfs/dbraw/zinc/06/00/06/137060006.db2.gz IJFOYPBKZZENQW-SNVBAGLBSA-N 1 0 262.317 0.355 10 0 CCAERO CNC(=O)c1ccc(OC[C@@H](O)C[NH2+]C(C)C)cc1 ZINC000003609743 347985760 /nfs/dbraw/zinc/98/57/60/347985760.db2.gz WLABPMHXVGFSAJ-LBPRGKRZSA-N 1 0 266.341 0.784 10 0 CCAERO COc1cc(C[C@@H](C[NH3+])CO)cc(OC)c1OC ZINC000011978629 348018939 /nfs/dbraw/zinc/01/89/39/348018939.db2.gz FRJRLYVYRAQUBN-JTQLQIEISA-N 1 0 255.314 0.822 10 0 CCAERO CC(C)NC(=O)NCC[NH2+]C[C@@H](O)COc1ccccc1 ZINC000028263368 348105993 /nfs/dbraw/zinc/10/59/93/348105993.db2.gz BBHXHFDYJHPVTB-CYBMUJFWSA-N 1 0 295.383 0.724 10 0 CCAERO CC[C@H](C[NH3+])N1CCN(CCOCC(F)(F)F)CC1 ZINC000104056998 185887651 /nfs/dbraw/zinc/88/76/51/185887651.db2.gz ACRITNWOVLLOLD-LLVKDONJSA-N 1 0 283.338 0.920 10 0 CCAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2cccc(C(=O)N(C)C)c2)C1 ZINC000344912574 137221294 /nfs/dbraw/zinc/22/12/94/137221294.db2.gz VRANXMBDTGPYQS-LSDHHAIUSA-N 1 0 292.379 0.970 10 0 CCAERO C[C@@H](NC(=O)CCC[NH3+])c1ccc(S(N)(=O)=O)cc1 ZINC000037015569 348179759 /nfs/dbraw/zinc/17/97/59/348179759.db2.gz IVFMYUAPKXNFMX-SECBINFHSA-N 1 0 285.369 0.250 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H](C)NC(C)=O ZINC000253549616 352537640 /nfs/dbraw/zinc/53/76/40/352537640.db2.gz URDDZRDNNNHTJH-UHTWSYAYSA-N 1 0 267.373 0.596 10 0 CCAERO CCCN(CC(=O)N(C)C)C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000038101095 348227403 /nfs/dbraw/zinc/22/74/03/348227403.db2.gz TWTVFXRAZFNPPY-CQSZACIVSA-N 1 0 291.395 0.883 10 0 CCAERO [NH3+]C1CCC(C(=O)NCCCN2CCOCC2)CC1 ZINC000037626127 348194831 /nfs/dbraw/zinc/19/48/31/348194831.db2.gz KPPJYFJYCJJBME-UHFFFAOYSA-N 1 0 269.389 0.342 10 0 CCAERO O=C(CNc1nc2ccccc2[nH]1)N1CC[NH2+]CC1 ZINC000037757018 348200835 /nfs/dbraw/zinc/20/08/35/348200835.db2.gz HHMUZTLJTHSBHJ-UHFFFAOYSA-N 1 0 259.313 0.407 10 0 CCAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2cccc(C(=O)N(C)C)c2)C1 ZINC000040633397 348240004 /nfs/dbraw/zinc/24/00/04/348240004.db2.gz SPSROXTXBGVMLC-CHWSQXEVSA-N 1 0 291.351 0.704 10 0 CCAERO CO[C@H]1C[C@@H](CN(C)C(=O)COCC2CC2)[N@H+](C)C1 ZINC000346703131 137301152 /nfs/dbraw/zinc/30/11/52/137301152.db2.gz VTBCRWZTYNZGQD-STQMWFEESA-N 1 0 270.373 0.591 10 0 CCAERO C[C@@H]1C[C@H](O)CCN1CC(=O)NC(=O)NC1CCCC1 ZINC000602931361 362891918 /nfs/dbraw/zinc/89/19/18/362891918.db2.gz SSRDKUXIYKRRGG-ZYHUDNBSSA-N 1 0 283.372 0.600 10 0 CCAERO CCn1cc(CC[N@@H+]2C[C@H](OC)C[C@H]2CO)cn1 ZINC000348415113 137376321 /nfs/dbraw/zinc/37/63/21/137376321.db2.gz MWZOEDDMEVXZAS-QWHCGFSZSA-N 1 0 253.346 0.527 10 0 CCAERO C[C@H]([NH2+]C[C@H](O)COCc1ccco1)C(=O)N(C)C ZINC000049098739 348442011 /nfs/dbraw/zinc/44/20/11/348442011.db2.gz SQWXAEAPBFCHJU-QWRGUYRKSA-N 1 0 270.329 0.223 10 0 CCAERO CCCCNC(=O)C1CCN(C(=O)[C@@H](C)[NH2+]C)CC1 ZINC000054075367 348541463 /nfs/dbraw/zinc/54/14/63/348541463.db2.gz NJBKKOFSLHKXNK-LLVKDONJSA-N 1 0 269.389 0.749 10 0 CCAERO CNC(=O)[C@H]1CCCCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054291823 348548208 /nfs/dbraw/zinc/54/82/08/348548208.db2.gz WJDZQKCRQFZMBN-NWDGAFQWSA-N 1 0 267.373 0.503 10 0 CCAERO O=S1(=O)N=C(OC[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000051889113 348499633 /nfs/dbraw/zinc/49/96/33/348499633.db2.gz NTGBINKGSGUUBF-SECBINFHSA-N 1 0 266.322 0.762 10 0 CCAERO C[C@@H](CN1CCCC1=O)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307631 348549275 /nfs/dbraw/zinc/54/92/75/348549275.db2.gz SMVMCLGHJJQHME-NWDGAFQWSA-N 1 0 267.373 0.503 10 0 CCAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1ccc(-n2cncn2)nc1 ZINC000054306849 348549597 /nfs/dbraw/zinc/54/95/97/348549597.db2.gz PBOPSTAHNOAANR-LLVKDONJSA-N 1 0 286.339 0.991 10 0 CCAERO CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@@H]1CCCO ZINC000052761981 348513657 /nfs/dbraw/zinc/51/36/57/348513657.db2.gz SWCJFZHRPZOPKC-CYBMUJFWSA-N 1 0 299.415 0.208 10 0 CCAERO O=C(C1=NNC(=O)CC1)N1CC[NH+](C2CCCC2)CC1 ZINC000055391311 348576927 /nfs/dbraw/zinc/57/69/27/348576927.db2.gz ZIRFUGCPKLMBNA-UHFFFAOYSA-N 1 0 278.356 0.339 10 0 CCAERO OCCOCC[NH2+]C[C@@H](O)COc1cccc(Cl)c1 ZINC000054615554 348560996 /nfs/dbraw/zinc/56/09/96/348560996.db2.gz ZPFQHYQSSZTZDC-GFCCVEGCSA-N 1 0 289.759 0.678 10 0 CCAERO CCCNS(=O)(=O)NC[C@H](C)[NH+](CC)CC ZINC000062347987 348667849 /nfs/dbraw/zinc/66/78/49/348667849.db2.gz CYPGYJRVZPFBHJ-JTQLQIEISA-N 1 0 251.396 0.551 10 0 CCAERO Cc1c(F)cccc1NC(=O)CNC[C@@H]1C[NH2+]CCO1 ZINC000065408250 348714502 /nfs/dbraw/zinc/71/45/02/348714502.db2.gz HAGAKLBQESSKEZ-NSHDSACASA-N 1 0 281.331 0.651 10 0 CCAERO CC[C@]1(C(=O)NCc2nnc3ccccn32)CC[NH2+]C1 ZINC000062899809 348672915 /nfs/dbraw/zinc/67/29/15/348672915.db2.gz FEMBFRVRMKNJDZ-AWEZNQCLSA-N 1 0 273.340 0.735 10 0 CCAERO CS(=O)(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000065171381 348707698 /nfs/dbraw/zinc/70/76/98/348707698.db2.gz BQZYLRISOKOTIP-UHFFFAOYSA-N 1 0 290.429 0.695 10 0 CCAERO [NH3+][C@@H]1CC[C@@H](NC(=O)c2ccccc2-n2cncn2)C1 ZINC000067725733 348783317 /nfs/dbraw/zinc/78/33/17/348783317.db2.gz VJLSUCLVHVLMHB-GHMZBOCLSA-N 1 0 271.324 0.877 10 0 CCAERO [NH3+]C1CCN(C[C@@H](O)c2ccc3c(c2)OCO3)CC1 ZINC000070458346 348890427 /nfs/dbraw/zinc/89/04/27/348890427.db2.gz ACIOVLAEHAJGHH-GFCCVEGCSA-N 1 0 264.325 0.872 10 0 CCAERO CC(C)[NH2+][C@@H]1CCCN(CCN2CCOCC2)C1=O ZINC000071032980 348902644 /nfs/dbraw/zinc/90/26/44/348902644.db2.gz ZEQKZSQBBNWOSS-CYBMUJFWSA-N 1 0 269.389 0.308 10 0 CCAERO CCOc1cncc(NCCCN2CC[NH2+]CC2)n1 ZINC000071175962 348904487 /nfs/dbraw/zinc/90/44/87/348904487.db2.gz CWLNBVFHOXFPER-UHFFFAOYSA-N 1 0 265.361 0.583 10 0 CCAERO O=C([C@H]1CSC(=O)N1)N1CCC[N@@H+](C2CC2)CC1 ZINC000073178010 348946009 /nfs/dbraw/zinc/94/60/09/348946009.db2.gz GSFKUXFONJTMJJ-SNVBAGLBSA-N 1 0 269.370 0.508 10 0 CCAERO C[C@@]1(C(=O)N2[C@@H]3CC[C@H]2CC(O)C3)CCC[NH2+]C1 ZINC000104280751 185953339 /nfs/dbraw/zinc/95/33/39/185953339.db2.gz OGUOJEAMWFORPD-IIKSMHAQSA-N 1 0 252.358 0.890 10 0 CCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCCNC(=O)C1CC1 ZINC000079252263 349171741 /nfs/dbraw/zinc/17/17/41/349171741.db2.gz OYOBPRUZXDKFPZ-CYBMUJFWSA-N 1 0 298.431 0.788 10 0 CCAERO COC(=O)[C@H]1CCCN(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000082259532 349293382 /nfs/dbraw/zinc/29/33/82/349293382.db2.gz YWEKMSUVPWSABC-QWRGUYRKSA-N 1 0 254.330 0.398 10 0 CCAERO C[C@H](CNC(=O)[C@@H]1COCCN1)C[NH+]1CCCCC1 ZINC000088371245 349363577 /nfs/dbraw/zinc/36/35/77/349363577.db2.gz PJRYWNKZUQGZPC-OLZOCXBDSA-N 1 0 269.389 0.213 10 0 CCAERO O=C([C@@H]1COCCN1)N1CCC([NH+]2CCCC2)CC1 ZINC000088371288 349363842 /nfs/dbraw/zinc/36/38/42/349363842.db2.gz UABPGRAJKZJCJE-ZDUSSCGKSA-N 1 0 267.373 0.062 10 0 CCAERO CC[C@@H]1CN(Cc2ccnn2C)CC[N@@H+]1CCOC ZINC000120956274 350015159 /nfs/dbraw/zinc/01/51/59/350015159.db2.gz NGZJMMPWYKHVDP-CYBMUJFWSA-N 1 0 266.389 0.963 10 0 CCAERO CC[C@H]1CN(Cc2ccnn2C)CC[N@@H+]1CCOC ZINC000120956432 350015385 /nfs/dbraw/zinc/01/53/85/350015385.db2.gz NGZJMMPWYKHVDP-ZDUSSCGKSA-N 1 0 266.389 0.963 10 0 CCAERO CCn1nccc1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000121016672 350017852 /nfs/dbraw/zinc/01/78/52/350017852.db2.gz OLARGQRSQNKEGC-ZDUSSCGKSA-N 1 0 264.373 0.810 10 0 CCAERO CN1CCN(c2nccc(C(F)(F)F)n2)[C@H](C[NH3+])C1 ZINC000122813826 350070307 /nfs/dbraw/zinc/07/03/07/350070307.db2.gz SWRXZRVNGBZCRY-MRVPVSSYSA-N 1 0 275.278 0.575 10 0 CCAERO C[C@@H]1C[C@H]1CN(C)S(=O)(=O)N1CCC[NH2+]CC1 ZINC000104426854 185998153 /nfs/dbraw/zinc/99/81/53/185998153.db2.gz ODNYJHKFEXDPBR-MNOVXSKESA-N 1 0 261.391 0.114 10 0 CCAERO C[C@@H]1C[N@H+](CCC2OCCO2)C[C@@H]1N1CCOCC1 ZINC000124593257 350102419 /nfs/dbraw/zinc/10/24/19/350102419.db2.gz DBTIBYJTDBKYCX-OLZOCXBDSA-N 1 0 270.373 0.402 10 0 CCAERO COCC[N@@H+]1CCN(CN2CC(C)(C)OC2=O)C[C@H]1C ZINC000124174297 350090631 /nfs/dbraw/zinc/09/06/31/350090631.db2.gz XJJSHRPSVCJSEV-GFCCVEGCSA-N 1 0 285.388 0.827 10 0 CCAERO C(c1nc([C@H]2CCOC2)no1)[C@@H]1CSCC[NH2+]1 ZINC000091129206 180101087 /nfs/dbraw/zinc/10/10/87/180101087.db2.gz QXGAOIDXGSSHNU-DTWKUNHWSA-N 1 0 255.343 0.821 10 0 CCAERO CC[C@H]1C[N@H+](C[C@@H](O)COC)CCN1CCOC ZINC000126641846 350151397 /nfs/dbraw/zinc/15/13/97/350151397.db2.gz HGUMPIADPMUYEF-QWHCGFSZSA-N 1 0 260.378 0.036 10 0 CCAERO C[NH+](C)C[C@@H]1CN(Cc2cc(C(N)=O)cs2)CCO1 ZINC000128091728 350185687 /nfs/dbraw/zinc/18/56/87/350185687.db2.gz IJMISWQKCLVDAZ-LLVKDONJSA-N 1 0 283.397 0.609 10 0 CCAERO C[NH+](C)[C@H]1CC[C@H](NC(=O)CN2CSCC2=O)C1 ZINC000128171178 350186421 /nfs/dbraw/zinc/18/64/21/350186421.db2.gz FHODLMRXTUSIAI-UWVGGRQHSA-N 1 0 271.386 0.118 10 0 CCAERO CCNC(=O)C(C)(C)CNC(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000129156900 350206725 /nfs/dbraw/zinc/20/67/25/350206725.db2.gz HNOLPDHORYNJID-LBPRGKRZSA-N 1 0 298.431 0.932 10 0 CCAERO CN1CCO[C@H](CNC(=O)NCc2cccc(O)c2)C1 ZINC000105169509 186044851 /nfs/dbraw/zinc/04/48/51/186044851.db2.gz DFFQJABSICZDMM-CYBMUJFWSA-N 1 0 279.340 0.522 10 0 CCAERO 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CCAERO O=C([C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N1CCO[C@@H](CCF)C1 ZINC000638683511 375290490 /nfs/dbraw/zinc/29/04/90/375290490.db2.gz JDXIXXMDWJPXLD-IVZWLZJFSA-N 1 0 298.280 0.971 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@H]1CCN(C2CCC2)C1=O ZINC000638796883 375368498 /nfs/dbraw/zinc/36/84/98/375368498.db2.gz NLYSOMLCTSRVTH-UHTWSYAYSA-N 1 0 279.384 0.631 10 0 CCAERO CCC[C@H]([NH3+])C(=O)N[C@@H]1CCN(C2CCC2)C1=O ZINC000638797909 375370675 /nfs/dbraw/zinc/37/06/75/375370675.db2.gz XGOMEWMQMFRUGG-WDEREUQCSA-N 1 0 253.346 0.383 10 0 CCAERO C[C@H]1CN(C(=O)c2ccc(S(C)(=O)=O)cc2)C[C@@H]1C[NH3+] ZINC000638884616 375425710 /nfs/dbraw/zinc/42/57/10/375425710.db2.gz CZGOBTUEGANJBQ-JQWIXIFHSA-N 1 0 296.392 0.757 10 0 CCAERO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)C[C@@H]1C[NH3+] ZINC000638887846 375426595 /nfs/dbraw/zinc/42/65/95/375426595.db2.gz QACBTWFXQJNXGK-MXWKQRLJSA-N 1 0 265.357 0.051 10 0 CCAERO C[C@@H]1CN(C(=O)c2cccc(C(N)=O)c2)C[C@@H]1C[NH3+] ZINC000638889209 375428223 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COC[C@H](CCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)OC ZINC000659335428 413427268 /nfs/dbraw/zinc/42/72/68/413427268.db2.gz IANXHDDZKQNLPJ-WOPDTQHZSA-N 1 0 258.362 0.672 10 0 CCAERO CCn1ccc(NC(=O)[C@@]2(COC)CCC[NH2+]2)n1 ZINC000659343956 413437533 /nfs/dbraw/zinc/43/75/33/413437533.db2.gz ZTSUIISIJHZPIN-LBPRGKRZSA-N 1 0 252.318 0.610 10 0 CCAERO COC[C@@]1(C(=O)NCCO[C@H]2CC2(F)F)CCC[NH2+]1 ZINC000659345331 413440120 /nfs/dbraw/zinc/44/01/20/413440120.db2.gz HZARLBYSOXDLAX-GXSJLCMTSA-N 1 0 278.299 0.295 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCCO[C@H]1CC1(F)F ZINC000659345365 413440284 /nfs/dbraw/zinc/44/02/84/413440284.db2.gz IZUUTUHAHSWUJQ-AEJSXWLSSA-N 1 0 262.300 0.902 10 0 CCAERO CCS(=O)(=O)C1(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000659379481 413460374 /nfs/dbraw/zinc/46/03/74/413460374.db2.gz IJSOQBIKCYUHLH-VHSXEESVSA-N 1 0 274.386 0.197 10 0 CCAERO C[C@@H](NC(N)=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000177453742 287008447 /nfs/dbraw/zinc/00/84/47/287008447.db2.gz FVERCKSAISSVDE-SNVBAGLBSA-N 1 0 282.388 0.566 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H](C)NC(N)=O ZINC000248504152 287228119 /nfs/dbraw/zinc/22/81/19/287228119.db2.gz VJXACHVZDGJZNC-AXFHLTTASA-N 1 0 268.361 0.128 10 0 CCAERO C[C@H]1CCCC[C@H]1N(C)C(=O)Cn1cc(C[NH3+])nn1 ZINC000123050304 411709785 /nfs/dbraw/zinc/70/97/85/411709785.db2.gz QGAHYMLUSCEWCE-CMPLNLGQSA-N 1 0 265.361 0.774 10 0 CCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC1(CO)CCCCC1 ZINC000123289040 411710044 /nfs/dbraw/zinc/71/00/44/411710044.db2.gz OHNFMLILSKCSLO-VXGBXAGGSA-N 1 0 254.374 0.901 10 0 CCAERO COc1ccccc1NC(=O)Cn1cc(C[NH3+])nn1 ZINC000050224580 411678116 /nfs/dbraw/zinc/67/81/16/411678116.db2.gz KCHHKFYNBKAOIP-UHFFFAOYSA-N 1 0 261.285 0.384 10 0 CCAERO NC(=O)c1cc(NC(=O)[C@H]2CC[NH2+]C2)ccc1F ZINC000062113688 411686573 /nfs/dbraw/zinc/68/65/73/411686573.db2.gz TXAVZQUVECCXPE-ZETCQYMHSA-N 1 0 251.261 0.473 10 0 CCAERO CC(C)CNC(=O)[C@H](C)n1cc(C(C)(C)[NH3+])nn1 ZINC000070118295 411689894 /nfs/dbraw/zinc/68/98/94/411689894.db2.gz GQTOWHIVBQRQLO-VIFPVBQESA-N 1 0 253.350 0.805 10 0 CCAERO CC(C)C[C@H](CNC(=O)[C@H]1CNC(=O)C1)[NH+](C)C ZINC000110432945 411702009 /nfs/dbraw/zinc/70/20/09/411702009.db2.gz HPOJOPFHXPNGRU-GHMZBOCLSA-N 1 0 255.362 0.215 10 0 CCAERO C[C@@H]1CN(CC[N@@H+]2CC[C@@H](CCO)C2)C[C@H](C)O1 ZINC000314326674 411755604 /nfs/dbraw/zinc/75/56/04/411755604.db2.gz FNIFHDNVCQLCMM-MJBXVCDLSA-N 1 0 256.390 0.800 10 0 CCAERO CCN(C[C@@H]1CCOC1)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129668804 411720081 /nfs/dbraw/zinc/72/00/81/411720081.db2.gz WOSNLSSJJICUSM-ZDUSSCGKSA-N 1 0 283.416 0.555 10 0 CCAERO C[C@H](NC(=O)C(C)(C)N1CC[NH2+]CC1)[C@H]1CCCO1 ZINC000131218766 411723649 /nfs/dbraw/zinc/72/36/49/411723649.db2.gz GUYHNBKJRSCTPB-NWDGAFQWSA-N 1 0 269.389 0.354 10 0 CCAERO CC(C)Oc1cc(N2CCO[C@H]([C@@H](C)[NH3+])C2)ncn1 ZINC000132892624 411728264 /nfs/dbraw/zinc/72/82/64/411728264.db2.gz VJMYVGVDPSURQP-MNOVXSKESA-N 1 0 266.345 0.816 10 0 CCAERO Cc1cnn(CCN2CC[C@@H]3OCC[NH2+][C@H]3C2)c1 ZINC000404288962 411795949 /nfs/dbraw/zinc/79/59/49/411795949.db2.gz ZHVDCNCFLANIPA-STQMWFEESA-N 1 0 250.346 0.254 10 0 CCAERO CCO[C@@H]1CN(c2nc(C)cc(C)n2)C[C@H]1C[NH3+] ZINC000405284160 411800234 /nfs/dbraw/zinc/80/02/34/411800234.db2.gz DEIDDZBTSOCAJT-VXGBXAGGSA-N 1 0 250.346 0.893 10 0 CCAERO CCO[C@@H]1CN(c2ncncc2Cl)C[C@H]1C[NH3+] ZINC000405314368 411800299 /nfs/dbraw/zinc/80/02/99/411800299.db2.gz WBEYKLNWIKTMOP-PSASIEDQSA-N 1 0 256.737 0.930 10 0 CCAERO C[C@H]([NH2+]Cc1cn(C)c(=O)n(C)c1=O)c1ccncc1 ZINC000020121762 171001346 /nfs/dbraw/zinc/00/13/46/171001346.db2.gz PSNCCQLPGAGENS-JTQLQIEISA-N 1 0 274.324 0.330 10 0 CCAERO COCCNC(=O)[C@H](C)NCC[NH+](C(C)C)C(C)C ZINC000020317149 171147763 /nfs/dbraw/zinc/14/77/63/171147763.db2.gz YQXNNSACHMVTAX-ZDUSSCGKSA-N 1 0 273.421 0.846 10 0 CCAERO C[C@H](C(=O)N[C@H]1CCCC[C@@H]1C)N1CC[NH2+]CC1 ZINC000020362672 171161747 /nfs/dbraw/zinc/16/17/47/171161747.db2.gz ZVJRKMOKOCGODT-XQQFMLRXSA-N 1 0 253.390 0.975 10 0 CCAERO CCCCNC(=O)[C@H](C)[NH2+][C@@H]1CN2CCC1CC2 ZINC000020366052 171165003 /nfs/dbraw/zinc/16/50/03/171165003.db2.gz RGJGDHPFHKNWOQ-WCQYABFASA-N 1 0 253.390 0.975 10 0 CCAERO [NH3+]CCS(=O)(=O)CCOc1ccc(F)c(F)c1 ZINC000020399545 171181336 /nfs/dbraw/zinc/18/13/36/171181336.db2.gz ZGZMPYRVGBRVAC-UHFFFAOYSA-N 1 0 265.281 0.717 10 0 CCAERO C[C@@H]1CN([C@@]2(C[NH3+])CN3CCC2CC3)C[C@H](C)O1 ZINC000020442136 171205103 /nfs/dbraw/zinc/20/51/03/171205103.db2.gz SEEJPRUWFUYQOM-SCRDCRAPSA-N 1 0 253.390 0.519 10 0 CCAERO NC(=O)COc1ccc(Cl)cc1C[NH2+]CCO ZINC000020873301 171277150 /nfs/dbraw/zinc/27/71/50/171277150.db2.gz YHUIWQSNYOEEAS-UHFFFAOYSA-N 1 0 258.705 0.286 10 0 CCAERO CCN1CCN(S(=O)(=O)c2cccc(C[NH3+])c2)CC1 ZINC000022221109 171377819 /nfs/dbraw/zinc/37/78/19/171377819.db2.gz PCYQZZJFDUUYEU-UHFFFAOYSA-N 1 0 283.397 0.472 10 0 CCAERO CC[NH+]1CCN(CC(=O)Nc2ccc(F)cc2N)CC1 ZINC000022222235 171378970 /nfs/dbraw/zinc/37/89/70/171378970.db2.gz ZIQKMQCXIIWSFX-UHFFFAOYSA-N 1 0 280.347 0.984 10 0 CCAERO Cc1cc(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)[nH]n1 ZINC000653088752 412214627 /nfs/dbraw/zinc/21/46/27/412214627.db2.gz KJSKSDPDOPPLHV-RKDXNWHRSA-N 1 0 276.262 0.732 10 0 CCAERO CCC[C@H](O)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653089541 412213933 /nfs/dbraw/zinc/21/39/33/412213933.db2.gz KYJNIUPBOHVQAT-DJLDLDEBSA-N 1 0 268.279 0.662 10 0 CCAERO O=C(CC1CCSCC1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000653139031 412238475 /nfs/dbraw/zinc/23/84/75/412238475.db2.gz RSVDYMMTKMQONB-MNOVXSKESA-N 1 0 258.387 0.216 10 0 CCAERO Cc1cc(NC(=O)CN2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)on1 ZINC000284871321 196148418 /nfs/dbraw/zinc/14/84/18/196148418.db2.gz PWRUROBNVSLEQU-RYUDHWBXSA-N 1 0 294.355 0.326 10 0 CCAERO CN(C)CC[NH2+]C[C@H](O)c1ccc2c(c1)OCCO2 ZINC000032114500 171708237 /nfs/dbraw/zinc/70/82/37/171708237.db2.gz VYSKOEALBKEGQH-LBPRGKRZSA-N 1 0 266.341 0.642 10 0 CCAERO CC[NH2+]Cc1ccc(OCC(=O)NC(N)=O)cc1 ZINC000034657774 171851031 /nfs/dbraw/zinc/85/10/31/171851031.db2.gz LFDTYVZXWCSYSZ-UHFFFAOYSA-N 1 0 251.286 0.370 10 0 CCAERO CCCNC(=O)C[NH2+][C@H](C)C(=O)NCCC(C)C ZINC000035207102 172052162 /nfs/dbraw/zinc/05/21/62/172052162.db2.gz OTYRYPLNOCFSBX-LLVKDONJSA-N 1 0 257.378 0.653 10 0 CCAERO NC(=O)c1cc([C@H]2C[NH2+]CCO2)nc2ccccc21 ZINC000035605782 172292822 /nfs/dbraw/zinc/29/28/22/172292822.db2.gz IIHWFNYEFLEVDZ-CYBMUJFWSA-N 1 0 257.293 0.995 10 0 CCAERO Cc1ccc(OCC(=O)NC(N)=O)c([C@H](C)[NH3+])c1 ZINC000035629427 172310037 /nfs/dbraw/zinc/31/00/37/172310037.db2.gz IETHVIYRQBBKBB-QMMMGPOBSA-N 1 0 251.286 0.588 10 0 CCAERO O=C(NCc1cccc(Cl)c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000035661219 172338808 /nfs/dbraw/zinc/33/88/08/172338808.db2.gz ZJQQBQKVVSVOMD-MNOVXSKESA-N 1 0 254.717 0.679 10 0 CCAERO C[C@H](NS(=O)(=O)N1CCCC1)[C@H]1CCCC[NH2+]1 ZINC000035691638 172359785 /nfs/dbraw/zinc/35/97/85/172359785.db2.gz DHADMIRXMJNIRT-WDEREUQCSA-N 1 0 261.391 0.447 10 0 CCAERO C[C@@H](C(=O)N(C)Cc1ccco1)N1CC[NH2+]CC1 ZINC000035716454 172370450 /nfs/dbraw/zinc/37/04/50/172370450.db2.gz KLOGNOONOKCSDL-NSHDSACASA-N 1 0 251.330 0.532 10 0 CCAERO Cn1cccc1C[N@@H+]1CCC[C@](O)(Cn2ccnn2)C1 ZINC000285400646 196274089 /nfs/dbraw/zinc/27/40/89/196274089.db2.gz GBMIXJBQQJWMBU-CQSZACIVSA-N 1 0 275.356 0.644 10 0 CCAERO [NH3+]C1CC(NS(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000036265913 172561418 /nfs/dbraw/zinc/56/14/18/172561418.db2.gz XAKFZCOTNSFOEP-UHFFFAOYSA-N 1 0 280.271 0.872 10 0 CCAERO CCCNC(=O)CNC(=O)Nc1cccc(C[NH3+])c1 ZINC000036781331 172699436 /nfs/dbraw/zinc/69/94/36/172699436.db2.gz VNZHVBLOXOUJQW-UHFFFAOYSA-N 1 0 264.329 0.793 10 0 CCAERO C[N@@H+]1CC[C@@H]2OCCN(C(=O)COc3cccnc3)[C@@H]2C1 ZINC000285655264 196356298 /nfs/dbraw/zinc/35/62/98/196356298.db2.gz GCWDUXRRHCTSJM-KGLIPLIRSA-N 1 0 291.351 0.392 10 0 CCAERO C[N@H+](CCCC(=O)Nc1ccccc1N)CC(N)=O ZINC000037268173 173078687 /nfs/dbraw/zinc/07/86/87/173078687.db2.gz IGYFAMSLCGOFFH-UHFFFAOYSA-N 1 0 264.329 0.405 10 0 CCAERO CCC[NH2+]C[C@@H](O)Cn1cnc2ccsc2c1=O ZINC000037382769 173167642 /nfs/dbraw/zinc/16/76/42/173167642.db2.gz XESULNDAXPJBSW-SECBINFHSA-N 1 0 267.354 0.819 10 0 CCAERO Cc1cccc(C(=O)N(CC(N)=O)[C@@H]2CC[NH2+]C2)c1 ZINC000037540546 173262334 /nfs/dbraw/zinc/26/23/34/173262334.db2.gz RALSOKOOUJDPGG-GFCCVEGCSA-N 1 0 261.325 0.284 10 0 CCAERO CCCN(C(=O)[C@H](C)n1cncn1)[C@@H]1CCC[NH2+]C1 ZINC000037541500 173263205 /nfs/dbraw/zinc/26/32/05/173263205.db2.gz FGNUJLKLXHYCAP-NWDGAFQWSA-N 1 0 265.361 0.830 10 0 CCAERO CCC(CC)C(=O)N(CC(N)=O)[C@H]1CCC[NH2+]C1 ZINC000037542214 173263994 /nfs/dbraw/zinc/26/39/94/173263994.db2.gz VIZWWRZVDGVNIO-NSHDSACASA-N 1 0 255.362 0.489 10 0 CCAERO COCCOc1ccc(NC(=O)C[C@H](C)[NH3+])cn1 ZINC000037607949 173556038 /nfs/dbraw/zinc/55/60/38/173556038.db2.gz ZQRZFEODMDJXCO-VIFPVBQESA-N 1 0 253.302 0.783 10 0 CCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC000660507612 414368548 /nfs/dbraw/zinc/36/85/48/414368548.db2.gz ZQYVKXJAHXJAKC-AEJSXWLSSA-N 1 0 251.273 0.492 10 0 CCAERO COC(=O)[C@@H]1CCCCN1C(=O)CC[NH2+]C1CC1 ZINC000037804454 173744734 /nfs/dbraw/zinc/74/47/34/173744734.db2.gz KITGSJYHJAGNGQ-NSHDSACASA-N 1 0 254.330 0.683 10 0 CCAERO C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)C[NH2+]C1CCCC1 ZINC000037821653 173774944 /nfs/dbraw/zinc/77/49/44/173774944.db2.gz PCOQFFZGSYMQNZ-MNOVXSKESA-N 1 0 267.373 0.631 10 0 CCAERO O=S(=O)(c1cn[nH]c1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917505 173852882 /nfs/dbraw/zinc/85/28/82/173852882.db2.gz JIADFTFIYDAJQN-JQWIXIFHSA-N 1 0 284.385 0.562 10 0 CCAERO CN(CC(=O)N1CC[NH2+]CC1)c1ncnc2ccccc21 ZINC000038031689 174026850 /nfs/dbraw/zinc/02/68/50/174026850.db2.gz KFAKYDBMBICRDI-UHFFFAOYSA-N 1 0 285.351 0.498 10 0 CCAERO CCN(CCC[NH2+]C[C@H](C)C(=O)OC)S(C)(=O)=O ZINC000038035709 174033865 /nfs/dbraw/zinc/03/38/65/174033865.db2.gz KPYVAVSRAFNOCK-JTQLQIEISA-N 1 0 280.390 0.057 10 0 CCAERO O=S1(=O)CC[C@@H](C[NH2+]CC2(O)CCCCC2)C1 ZINC000038083888 174093760 /nfs/dbraw/zinc/09/37/60/174093760.db2.gz YLNHMLJUPKQNDM-NSHDSACASA-N 1 0 261.387 0.706 10 0 CCAERO C[NH2+]Cc1ccc(OC)c(O[C@@H]2CCS(=O)(=O)C2)c1 ZINC000038084530 174094297 /nfs/dbraw/zinc/09/42/97/174094297.db2.gz HTHBWFZXPDFMKW-LLVKDONJSA-N 1 0 285.365 0.981 10 0 CCAERO COc1cccc(C[NH3+])c1O[C@H]1CCS(=O)(=O)C1 ZINC000038084623 174094974 /nfs/dbraw/zinc/09/49/74/174094974.db2.gz FOQMLOLHOAONCJ-JTQLQIEISA-N 1 0 271.338 0.720 10 0 CCAERO CCCN(CC(=O)N(C)C)C(=O)[C@](C)([NH3+])C1CC1 ZINC000038101153 174116447 /nfs/dbraw/zinc/11/64/47/174116447.db2.gz GVFFDGRLWJQPII-CYBMUJFWSA-N 1 0 255.362 0.441 10 0 CCAERO COC(=O)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000038101864 174117670 /nfs/dbraw/zinc/11/76/70/174117670.db2.gz FJUIAJDVZCDLOF-WDEREUQCSA-N 1 0 254.330 0.683 10 0 CCAERO COC(=O)N1CCN(C(=O)[C@@](C)([NH3+])C2CC2)CC1 ZINC000038101847 174117807 /nfs/dbraw/zinc/11/78/07/174117807.db2.gz VWNVTNWBTNBTFM-LBPRGKRZSA-N 1 0 255.318 0.024 10 0 CCAERO CC[C@@H](C[NH3+])NS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000040367066 174248721 /nfs/dbraw/zinc/24/87/21/174248721.db2.gz XIGKCMFEBUNGGJ-JTQLQIEISA-N 1 0 285.369 0.661 10 0 CCAERO C[NH+](C)[C@@H](CNC(=O)C1=NNC(=O)CC1)c1cccs1 ZINC000040413067 174255176 /nfs/dbraw/zinc/25/51/76/174255176.db2.gz LUPRHJXUPAPFBH-JTQLQIEISA-N 1 0 294.380 0.733 10 0 CCAERO [NH3+][C@@H](Cc1ccc(O)cc1)C(=O)NC[C@H]1CCCO1 ZINC000040458655 174268748 /nfs/dbraw/zinc/26/87/48/174268748.db2.gz YMEBHIYJMCUKGJ-OLZOCXBDSA-N 1 0 264.325 0.557 10 0 CCAERO COCCOCCOCCCN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000662275714 414704827 /nfs/dbraw/zinc/70/48/27/414704827.db2.gz DLGLRZZNFJURCT-STQMWFEESA-N 1 0 260.378 0.335 10 0 CCAERO CC(C)n1nnnc1CN1C[C@@H](C)[C@@](C)(CO)C1 ZINC000662132789 414691731 /nfs/dbraw/zinc/69/17/31/414691731.db2.gz BDDYPHAISDGJOG-ZYHUDNBSSA-N 1 0 253.350 0.704 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1CCCC2(CC2)C1 ZINC000662563142 414728876 /nfs/dbraw/zinc/72/88/76/414728876.db2.gz MVKLCTCRPQIFAU-WOPDTQHZSA-N 1 0 252.358 0.653 10 0 CCAERO O=C(N[C@@H]1CCNC1=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662586088 414730383 /nfs/dbraw/zinc/73/03/83/414730383.db2.gz FHGDQRBECYMZBX-MRVPVSSYSA-N 1 0 265.338 0.012 10 0 CCAERO CN1C[C@@H](CNC(=O)[C@@]2(C)CCCC[NH2+]2)CC1=O ZINC000662695043 414742551 /nfs/dbraw/zinc/74/25/51/414742551.db2.gz WREWYHMOTOYAQJ-ZWNOBZJWSA-N 1 0 253.346 0.113 10 0 CCAERO CC(C)(C(=O)N1CC[C@@H]2C[C@@H]2C1)N1CC[NH2+]CC1 ZINC000662705208 414744016 /nfs/dbraw/zinc/74/40/16/414744016.db2.gz NJXDVAQDFQUPMW-VXGBXAGGSA-N 1 0 251.374 0.539 10 0 CCAERO CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000662725395 414746937 /nfs/dbraw/zinc/74/69/37/414746937.db2.gz ZSQOABPTPSHQLX-GHMZBOCLSA-N 1 0 281.356 0.888 10 0 CCAERO COC[C@@H]([NH3+])C(=O)NC[C@H](OC)C1CCCCC1 ZINC000662732336 414747437 /nfs/dbraw/zinc/74/74/37/414747437.db2.gz AVOVBJKLXSPPFR-NEPJUHHUSA-N 1 0 258.362 0.672 10 0 CCAERO C[C@@]1(CNC(=O)C2(C[NH3+])CCOCC2)CC1(F)F ZINC000662874432 414859871 /nfs/dbraw/zinc/85/98/71/414859871.db2.gz IMRAVRRNIRQURT-JTQLQIEISA-N 1 0 262.300 0.903 10 0 CCAERO O=C([C@H]1CC[NH2+]C1)N1CCO[C@H](CC(F)(F)F)C1 ZINC000662949882 414911724 /nfs/dbraw/zinc/91/17/24/414911724.db2.gz HZOIRYKBMUZBJQ-DTWKUNHWSA-N 1 0 266.263 0.776 10 0 CCAERO C[C@H](C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)n1cccn1 ZINC000662975647 414929785 /nfs/dbraw/zinc/92/97/85/414929785.db2.gz JQDQVDMSFBDTBT-HTQZYQBOSA-N 1 0 264.251 0.792 10 0 CCAERO CC(=O)N1CCC[C@@H](C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)C1 ZINC000662977003 414930452 /nfs/dbraw/zinc/93/04/52/414930452.db2.gz ICEPNINCCROLAU-NXEZZACHSA-N 1 0 295.305 0.593 10 0 CCAERO CN1C[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1=O ZINC000662886658 414869074 /nfs/dbraw/zinc/86/90/74/414869074.db2.gz JHMUOFOKCMJYDJ-CYDGBPFRSA-N 1 0 279.384 0.502 10 0 CCAERO Cc1cccc([C@@H]([C@H](C)[NH3+])N(CCO)CCO)c1 ZINC000042966795 174930202 /nfs/dbraw/zinc/93/02/02/174930202.db2.gz CVGCWNFORUFXAP-GXTWGEPZSA-N 1 0 252.358 0.670 10 0 CCAERO CCc1cc(N[C@H]2CS(=O)(=O)C[C@@H]2OC)cc[nH+]1 ZINC000664274384 415325726 /nfs/dbraw/zinc/32/57/26/415325726.db2.gz YXOGIVGFQXMQJB-RYUDHWBXSA-N 1 0 270.354 0.290 10 0 CCAERO COC(=O)NC(C)(C)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171587154 335071976 /nfs/dbraw/zinc/07/19/76/335071976.db2.gz DOVPQHBZBMGIDS-SNVBAGLBSA-N 1 0 269.345 0.428 10 0 CCAERO [NH3+][C@H]1CCC[C@H](C(=O)N(CCO)CC(F)(F)F)C1 ZINC000070576799 175992145 /nfs/dbraw/zinc/99/21/45/175992145.db2.gz PNPZRHJECOTFOQ-IUCAKERBSA-N 1 0 268.279 0.887 10 0 CCAERO C[NH2+]C[C@@H]1CCN(Cc2ccc(C(N)=O)cc2F)C1 ZINC000071146049 176042117 /nfs/dbraw/zinc/04/21/17/176042117.db2.gz CGMIAKFSGYLSAL-JTQLQIEISA-N 1 0 265.332 0.966 10 0 CCAERO CCCN([C@@H](C)C(=O)N1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000071332101 176125055 /nfs/dbraw/zinc/12/50/55/176125055.db2.gz ILJRFCQVDFGGHX-STQMWFEESA-N 1 0 269.389 0.308 10 0 CCAERO CCc1cc(S(=O)(=O)NCC[NH3+])ccc1OC ZINC000071584505 176208855 /nfs/dbraw/zinc/20/88/55/176208855.db2.gz PAVSJJVYEIXMJM-UHFFFAOYSA-N 1 0 258.343 0.495 10 0 CCAERO O=C(CCc1cccnc1)NC[C@]1(O)CCC[NH2+]CC1 ZINC000072151732 176327438 /nfs/dbraw/zinc/32/74/38/176327438.db2.gz LQXZSCGHMORDBZ-HNNXBMFYSA-N 1 0 277.368 0.635 10 0 CCAERO CCN(CC[NH2+]C)S(=O)(=O)c1c(C)n[nH]c1C ZINC000076670886 177053670 /nfs/dbraw/zinc/05/36/70/177053670.db2.gz FOCVIZVQGBRGGR-UHFFFAOYSA-N 1 0 260.363 0.257 10 0 CCAERO C[C@@]1(C[NH3+])CS(=O)(=O)CCN1Cc1ccccc1 ZINC000076722897 177070283 /nfs/dbraw/zinc/07/02/83/177070283.db2.gz CROMNAJOQAEAMQ-CYBMUJFWSA-N 1 0 268.382 0.634 10 0 CCAERO COC(=O)CS(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000076981313 177137485 /nfs/dbraw/zinc/13/74/85/177137485.db2.gz JFFYJPFPUUSLIK-UHFFFAOYSA-N 1 0 257.311 0.233 10 0 CCAERO C[NH2+]CCOCCc1ccc2c(c1)oc(=O)n2C ZINC000077431510 177266774 /nfs/dbraw/zinc/26/67/74/177266774.db2.gz YJOCUGLNABPLGL-UHFFFAOYSA-N 1 0 250.298 0.910 10 0 CCAERO C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]2OC[C@H]3COCC[C@H]32)C1 ZINC000332899197 287353071 /nfs/dbraw/zinc/35/30/71/287353071.db2.gz LYUWYIVEWCZUFK-KBUPBQIOSA-N 1 0 296.411 0.886 10 0 CCAERO CC(C)(C)OC(=O)N1CC[NH2+][C@](CO)(C2CC2)C1 ZINC000685952272 545872092 /nfs/dbraw/zinc/87/20/92/545872092.db2.gz CPXAINLBOGWUFN-CYBMUJFWSA-N 1 0 256.346 0.968 10 0 CCAERO CC(C)(C)[NH2+]C[C@@H](O)Cn1cc(S(C)(=O)=O)cn1 ZINC000725251751 545876480 /nfs/dbraw/zinc/87/64/80/545876480.db2.gz GKEWWWAPMRCVDS-SECBINFHSA-N 1 0 275.374 0.036 10 0 CCAERO CS(=O)(=O)c1cnn(CC[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000725252021 545877541 /nfs/dbraw/zinc/87/75/41/545877541.db2.gz JNXIUXWFQITGPS-KOLCDFICSA-N 1 0 257.359 0.804 10 0 CCAERO CS(=O)(=O)c1cnn(Cc2ccccc2C[NH3+])c1 ZINC000725252262 545877145 /nfs/dbraw/zinc/87/71/45/545877145.db2.gz LHDSUEVTXHILFM-UHFFFAOYSA-N 1 0 265.338 0.794 10 0 CCAERO CS(=O)(=O)c1cnn(-c2nccc(C(N)=[NH2+])c2Cl)c1 ZINC000725252669 545878712 /nfs/dbraw/zinc/87/87/12/545878712.db2.gz UTKXTPOTVAZTNV-UHFFFAOYSA-N 1 0 299.743 0.608 10 0 CCAERO CC[C@@H](CC(=[NH2+])NO)n1cc(S(C)(=O)=O)cn1 ZINC000725252808 545878285 /nfs/dbraw/zinc/87/82/85/545878285.db2.gz XXBPOMWTCGHDRZ-ZETCQYMHSA-N 1 0 260.319 0.584 10 0 CCAERO CS(=O)(=O)c1cnn(CCC[C@@H]2CCC[NH2+]2)c1 ZINC000725253514 545878917 /nfs/dbraw/zinc/87/89/17/545878917.db2.gz WKMQSFYBOAWXQF-JTQLQIEISA-N 1 0 257.359 0.819 10 0 CCAERO CC(C)[NH2+]Cc1cnn2c1S(=O)(=O)N(C)CC2 ZINC000725263825 545883842 /nfs/dbraw/zinc/88/38/42/545883842.db2.gz MZXJAPFTADMONO-UHFFFAOYSA-N 1 0 258.347 0.015 10 0 CCAERO CN([C@@H]1C[C@H]([NH3+])C12CCOCC2)C1CC[NH+](C)CC1 ZINC000725264491 545885316 /nfs/dbraw/zinc/88/53/16/545885316.db2.gz QRHUIFRFNNWCOC-UONOGXRCSA-N 1 0 267.417 0.909 10 0 CCAERO CC[C@H](C)[NH2+]CC[C@@H](CO)[C@H]1CCS(=O)(=O)C1 ZINC000725266746 545886299 /nfs/dbraw/zinc/88/62/99/545886299.db2.gz BAMDULKRFCSYCC-SRVKXCTJSA-N 1 0 263.403 0.808 10 0 CCAERO C[C@@H](C(=O)N1CC(N2C[C@@H]([NH3+])CC2=O)C1)C(C)(C)C ZINC000725272535 545888238 /nfs/dbraw/zinc/88/82/38/545888238.db2.gz OWEJOPSJWAOYLP-UWVGGRQHSA-N 1 0 267.373 0.439 10 0 CCAERO CCCCS(=O)(=O)N1CCC2(CC1)C[NH2+]C[C@H](C)O2 ZINC000725272368 545888547 /nfs/dbraw/zinc/88/85/47/545888547.db2.gz PLMJXPCJRKTYME-LBPRGKRZSA-N 1 0 290.429 0.959 10 0 CCAERO C[NH2+]C[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000092133122 544531326 /nfs/dbraw/zinc/53/13/26/544531326.db2.gz NASADCMWSPEWPV-ZJUUUORDSA-N 1 0 299.396 0.367 10 0 CCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCC(C)(C)S(C)(=O)=O ZINC000093525954 544542326 /nfs/dbraw/zinc/54/23/26/544542326.db2.gz GIVXDRUHZQYXRP-DTWKUNHWSA-N 1 0 264.391 0.299 10 0 CCAERO O=C(CNc1ncnc2c1CCCC2)N1CC[NH2+]CC1 ZINC000094872421 544547696 /nfs/dbraw/zinc/54/76/96/544547696.db2.gz AMHPJTFRFSTKQT-UHFFFAOYSA-N 1 0 275.356 0.199 10 0 CCAERO COCCN(CCOC)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089451107 544512810 /nfs/dbraw/zinc/51/28/10/544512810.db2.gz FQQIXEXEUUKWHT-RYUDHWBXSA-N 1 0 258.362 0.483 10 0 CCAERO CCN(CC(=O)N(C)C)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089451122 544513015 /nfs/dbraw/zinc/51/30/15/544513015.db2.gz LDVVAVAJBYYTAG-MNOVXSKESA-N 1 0 255.362 0.298 10 0 CCAERO NC(=O)CN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CCCC1 ZINC000089456920 544513602 /nfs/dbraw/zinc/51/36/02/544513602.db2.gz UIOMOVSLXAOIPL-ZYHUDNBSSA-N 1 0 267.373 0.618 10 0 CCAERO C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089457567 544514328 /nfs/dbraw/zinc/51/43/28/544514328.db2.gz BUFJDSSPRVMSJO-WISYIIOYSA-N 1 0 267.373 0.474 10 0 CCAERO CC(C)(CNC(=O)[C@@H]1CCC[C@H]1C[NH3+])N1CCOCC1 ZINC000089459357 544514990 /nfs/dbraw/zinc/51/49/90/544514990.db2.gz SEWYUGAJVZZPAA-QWHCGFSZSA-N 1 0 283.416 0.588 10 0 CCAERO O[C@@H](C[NH2+]CC1CC(O)C1)COCc1cccs1 ZINC000091524715 544527784 /nfs/dbraw/zinc/52/77/84/544527784.db2.gz QANAFBRDFRMYQB-MCIGGMRASA-N 1 0 271.382 0.986 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000126138180 544594812 /nfs/dbraw/zinc/59/48/12/544594812.db2.gz SYOACUMBOYHJRV-MWLCHTKSSA-N 1 0 262.375 0.053 10 0 CCAERO O=C(C[C@H]1CCC[NH2+]C1)NCCCn1ccnn1 ZINC000127087055 544603070 /nfs/dbraw/zinc/60/30/70/544603070.db2.gz OOPLOKIECNAMRF-LLVKDONJSA-N 1 0 251.334 0.174 10 0 CCAERO C[C@]1(CNC(=O)NC[C@H](O)C[NH+]2CCCCC2)CCCO1 ZINC000133202668 544625270 /nfs/dbraw/zinc/62/52/70/544625270.db2.gz HPVOJMGCDDJKFR-DZGCQCFKSA-N 1 0 299.415 0.702 10 0 CCAERO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ccc(N(C)C)cc2)CCO1 ZINC000156439181 544677979 /nfs/dbraw/zinc/67/79/79/544677979.db2.gz BUSMXICJHDIDHP-BXUZGUMPSA-N 1 0 277.368 0.941 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCN(c2cnccn2)CC1 ZINC000136399628 544639083 /nfs/dbraw/zinc/63/90/83/544639083.db2.gz ZFQXZLXCBFBNTC-GFCCVEGCSA-N 1 0 277.372 0.499 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)Cc1nnc2n1CCC2 ZINC000136399112 544639257 /nfs/dbraw/zinc/63/92/57/544639257.db2.gz HRQBZQGVZMDCMJ-JTQLQIEISA-N 1 0 265.361 0.556 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)N(CC(N)=O)C1CCCC1 ZINC000136393687 544639399 /nfs/dbraw/zinc/63/93/99/544639399.db2.gz CEUVMWHMZIEYQD-LLVKDONJSA-N 1 0 255.362 0.616 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)NCc1cccc(C(N)=O)c1 ZINC000136431117 544639568 /nfs/dbraw/zinc/63/95/68/544639568.db2.gz BDZNEQVLZYRRPX-LBPRGKRZSA-N 1 0 263.341 0.775 10 0 CCAERO CCC[NH+]1CCC(CNC(=O)[C@@H]2COCCN2)CC1 ZINC000165862798 544723773 /nfs/dbraw/zinc/72/37/73/544723773.db2.gz DDFUEEVHGLQZPJ-ZDUSSCGKSA-N 1 0 269.389 0.213 10 0 CCAERO Cc1nc2c([nH]1)C[C@H](C(=O)NCC[NH+](C)C)CC2 ZINC000163973711 544717565 /nfs/dbraw/zinc/71/75/65/544717565.db2.gz FRJWOLFQUBUSGA-SNVBAGLBSA-N 1 0 250.346 0.501 10 0 CCAERO C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C[C@H]1N1CCOCC1 ZINC000178860264 544748033 /nfs/dbraw/zinc/74/80/33/544748033.db2.gz BLLQJKJRKUJYBI-YIYPIFLZSA-N 1 0 281.400 0.293 10 0 CCAERO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H](O)CN1CCCCC1 ZINC000182567964 544764644 /nfs/dbraw/zinc/76/46/44/544764644.db2.gz VWGVZQNHDSUQTL-STQMWFEESA-N 1 0 292.445 0.246 10 0 CCAERO CNC(=O)[C@H]([NH2+]C[C@@H](C)CS(C)(=O)=O)C(C)C ZINC000183672237 544768766 /nfs/dbraw/zinc/76/87/66/544768766.db2.gz IBZLELRNTPXNKO-NXEZZACHSA-N 1 0 264.391 0.027 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000227375145 544835119 /nfs/dbraw/zinc/83/51/19/544835119.db2.gz PDYYYKGUGBXSQJ-GARJFASQSA-N 1 0 253.346 0.146 10 0 CCAERO CCCCOC[C@H](O)Cn1cc(C[NH2+]C2CC2)nn1 ZINC000227915156 544840858 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RAJYBYPVEXMJNT-OBJOEFQTSA-N 1 0 267.373 0.949 10 0 CCAERO C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCC[C@@](O)(C(N)=O)C1 ZINC000408061215 290383368 /nfs/dbraw/zinc/38/33/68/290383368.db2.gz FDWJGTAYHIAKCD-WFASDCNBSA-N 1 0 297.399 0.090 10 0 CCAERO CO[C@@H]1COC[C@H]1[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000333375368 293856524 /nfs/dbraw/zinc/85/65/24/293856524.db2.gz DTUZGSFISHOYRM-DDHJBXDOSA-N 1 0 277.386 0.346 10 0 CCAERO Cc1nn(C)cc1C[NH2+][C@H]1CCCN(CCO)C1 ZINC000384538875 545085171 /nfs/dbraw/zinc/08/51/71/545085171.db2.gz GFTNAWFQCWAXHG-ZDUSSCGKSA-N 1 0 252.362 0.275 10 0 CCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000261645626 295271413 /nfs/dbraw/zinc/27/14/13/295271413.db2.gz CZZVPSYNVUZNEG-BFHYXJOUSA-N 1 0 291.399 0.892 10 0 CCAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000261737212 295314984 /nfs/dbraw/zinc/31/49/84/295314984.db2.gz LMRKBKNEJIOZPR-MELADBBJSA-N 1 0 281.400 0.437 10 0 CCAERO [NH3+][C@H]1CCCC[C@@H]1NC1=NS(=O)(=O)c2ccccc21 ZINC000038050799 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O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc2c(c1)CCC2 ZINC000262274546 137034310 /nfs/dbraw/zinc/03/43/10/137034310.db2.gz NHQXBSLPKQAKRI-KBPBESRZSA-N 1 0 260.337 0.485 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cc(F)cc2[nH]cnc21 ZINC000262296889 137036116 /nfs/dbraw/zinc/03/61/16/137036116.db2.gz PGNDAKRZWNPORM-RDDDGLTNSA-N 1 0 278.287 0.012 10 0 CCAERO O=C(CCn1cnc2ccccc21)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262313461 137036866 /nfs/dbraw/zinc/03/68/66/137036866.db2.gz QOXJNPWSMYVDOU-FZMZJTMJSA-N 1 0 288.351 0.123 10 0 CCAERO O=C(Nc1ccnc2ccncc21)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262311704 137037001 /nfs/dbraw/zinc/03/70/01/137037001.db2.gz BMEJQABNOUDPSL-UFBFGSQYSA-N 1 0 258.281 0.291 10 0 CCAERO O=S(=O)(NC[C@H]1CC[NH2+]C1)c1cn2c(n1)CCCC2 ZINC000262313771 137037133 /nfs/dbraw/zinc/03/71/33/137037133.db2.gz PMBMEXRXTHGQMK-JTQLQIEISA-N 1 0 284.385 0.107 10 0 CCAERO COc1ccc(CNC[C@H]2C[NH2+]C[C@H]2O)c(OC)c1OC ZINC000263166068 137059450 /nfs/dbraw/zinc/05/94/50/137059450.db2.gz 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ZINC000263231623 137060733 /nfs/dbraw/zinc/06/07/33/137060733.db2.gz NNNKQVBZBXQMTL-GXFFZTMASA-N 1 0 292.408 0.819 10 0 CCAERO COCCn1cc(CN(C)C[C@@H]2C[C@H](OC)C[N@@H+]2C)cn1 ZINC000344483876 137196362 /nfs/dbraw/zinc/19/63/62/137196362.db2.gz OHZDSNKIFNUKIO-GJZGRUSLSA-N 1 0 296.415 0.680 10 0 CCAERO CO[C@@H]1C[C@H](CO)[N@H+](CCCc2nc(C)no2)C1 ZINC000344845539 137216536 /nfs/dbraw/zinc/21/65/36/137216536.db2.gz DJGCNQMDFDDWJX-GHMZBOCLSA-N 1 0 255.318 0.392 10 0 CCAERO O=C(C1=NNC(=O)CC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000037842187 348213214 /nfs/dbraw/zinc/21/32/14/348213214.db2.gz QHBVWAAVTGVDQK-NSHDSACASA-N 1 0 278.356 0.339 10 0 CCAERO CNC(=O)C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000037207825 348185683 /nfs/dbraw/zinc/18/56/83/348185683.db2.gz AIMRXHUSOUFZNY-SECBINFHSA-N 1 0 270.354 0.487 10 0 CCAERO O=C(CNc1ccc(Br)cn1)N1CC[NH2+]CC1 ZINC000037716329 348199240 /nfs/dbraw/zinc/19/92/40/348199240.db2.gz AISOUPQEWMBCPX-UHFFFAOYSA-N 1 0 299.172 0.688 10 0 CCAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccc3nccnc3c2)C1 ZINC000040634149 348240211 /nfs/dbraw/zinc/24/02/11/348240211.db2.gz ZLRRJDHIWKRBRO-ZWNOBZJWSA-N 1 0 272.308 0.945 10 0 CCAERO C[C@H](O)C[NH2+]CC1=CC2=CC=C[C@H]3CCN(C1=O)[C@H]23 ZINC000039287441 348229178 /nfs/dbraw/zinc/22/91/78/348229178.db2.gz VZRYQPRITVEAJZ-MJVIPROJSA-N 1 0 260.337 0.610 10 0 CCAERO C[C@@H](c1nnnn1C1CC1)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000408349958 137869081 /nfs/dbraw/zinc/86/90/81/137869081.db2.gz MTRAJIWSNPUSGK-SCVCMEIPSA-N 1 0 264.377 0.951 10 0 CCAERO C[C@H]1C[C@H](C(=O)N2CCNC(=O)C2(C)C)CC[C@@H]1[NH3+] ZINC000104141074 185908709 /nfs/dbraw/zinc/90/87/09/185908709.db2.gz UNLIXTJNKWKVNJ-AXFHLTTASA-N 1 0 267.373 0.487 10 0 CCAERO C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333883901 295789776 /nfs/dbraw/zinc/78/97/76/295789776.db2.gz VIAPRGOZHMJIQW-XZBVAUNFSA-N 1 0 297.443 0.580 10 0 CCAERO NC(=O)NC(=O)CCC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000049442108 348452911 /nfs/dbraw/zinc/45/29/11/348452911.db2.gz OWHFELVOPSHLCP-GHMZBOCLSA-N 1 0 269.345 0.605 10 0 CCAERO CC(C)C[C@H](CN(C)C)[NH2+]C[C@H](O)CN1CCOCC1 ZINC000049555616 348456499 /nfs/dbraw/zinc/45/64/99/348456499.db2.gz QSMIRNMOXGGLAL-CABCVRRESA-N 1 0 287.448 0.245 10 0 CCAERO COC(=O)c1ccc(C[NH2+][C@@H]2CCCNC2=O)cc1 ZINC000050394289 348474191 /nfs/dbraw/zinc/47/41/91/348474191.db2.gz FBADESDJIZBKSL-GFCCVEGCSA-N 1 0 262.309 0.841 10 0 CCAERO C[NH2+][C@H](C)C(=O)Nc1ccc(CC(=O)N(C)C)cc1 ZINC000054073893 348540003 /nfs/dbraw/zinc/54/00/03/348540003.db2.gz JJDXBEHFSXCYRE-SNVBAGLBSA-N 1 0 263.341 0.864 10 0 CCAERO CC(C)CN(CC(N)=O)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054292042 348548112 /nfs/dbraw/zinc/54/81/12/348548112.db2.gz MPUKTVJIWMLHLM-NSHDSACASA-N 1 0 255.362 0.346 10 0 CCAERO C[NH2+][C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000052395818 348509259 /nfs/dbraw/zinc/50/92/59/348509259.db2.gz APIJTLJXYZNCOX-BDAKNGLRSA-N 1 0 285.369 0.119 10 0 CCAERO CCOC(=O)N1CCN(C(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000054308333 348549540 /nfs/dbraw/zinc/54/95/40/348549540.db2.gz UZOUNJKUHNSVKX-GFCCVEGCSA-N 1 0 283.372 0.677 10 0 CCAERO CN(CC(=O)NC(C)(C)C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054307729 348549670 /nfs/dbraw/zinc/54/96/70/348549670.db2.gz GDNLMRDKSFDVMJ-NSHDSACASA-N 1 0 269.389 0.749 10 0 CCAERO COCCCNC(=O)C[N@@H+]1CCC[C@H]1CCCO ZINC000052761944 348513794 /nfs/dbraw/zinc/51/37/94/348513794.db2.gz XXYHHHOPGPZRDG-LBPRGKRZSA-N 1 0 258.362 0.376 10 0 CCAERO COCCOCCCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054308726 348549696 /nfs/dbraw/zinc/54/96/96/348549696.db2.gz NKPASYWFAAVVBL-LBPRGKRZSA-N 1 0 258.362 0.545 10 0 CCAERO COC(=O)[C@H]1CCCCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307802 348549706 /nfs/dbraw/zinc/54/97/06/348549706.db2.gz WYRXGZPFXJBLIS-VXGBXAGGSA-N 1 0 268.357 0.930 10 0 CCAERO CCOC(=O)CN(C(=O)C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000054308235 348549777 /nfs/dbraw/zinc/54/97/77/348549777.db2.gz OVXPVXZMLCHVHJ-NSHDSACASA-N 1 0 268.357 0.930 10 0 CCAERO CC[NH2+][C@H]1CCC2(C[C@@H]1S(C)(=O)=O)OCCO2 ZINC000054930437 348566060 /nfs/dbraw/zinc/56/60/60/348566060.db2.gz XLBYANCTYGFIPH-UWVGGRQHSA-N 1 0 263.359 0.305 10 0 CCAERO CC1(C)NC(=O)N(CCN2CCC[N@@H+](C3CC3)CC2)C1=O ZINC000061040927 348650964 /nfs/dbraw/zinc/65/09/64/348650964.db2.gz KSEVSXWUTFSOQL-UHFFFAOYSA-N 1 0 294.399 0.487 10 0 CCAERO OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)C[N@@H+]1CCCC1CCCCC1 ZINC000065739542 348726167 /nfs/dbraw/zinc/72/61/67/348726167.db2.gz WAOKCSPMSBLULX-BYNSBNAKSA-N 1 0 287.400 0.106 10 0 in-vitro CCAERO O=C1C[C@@H](N2CC[NH2+]CC2)C(=O)N1c1cccc(F)c1 ZINC000064875689 348705068 /nfs/dbraw/zinc/70/50/68/348705068.db2.gz PMEQDEDUCIJGJB-GFCCVEGCSA-N 1 0 277.299 0.363 10 0 CCAERO CN(C)c1ncc(C[NH2+][C@H]2CCCC[C@H]2O)n1C ZINC000070144091 348873287 /nfs/dbraw/zinc/87/32/87/348873287.db2.gz HQKKNFJEMSDTEU-NWDGAFQWSA-N 1 0 252.362 0.879 10 0 CCAERO [NH3+]C[C@H](Nc1cncc2nnnn21)c1ccccc1 ZINC000104311363 185962468 /nfs/dbraw/zinc/96/24/68/185962468.db2.gz LKZFVSLKRBPGKX-JTQLQIEISA-N 1 0 255.285 0.631 10 0 CCAERO CC[NH+](CC)CCNC(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000079028517 349164402 /nfs/dbraw/zinc/16/44/02/349164402.db2.gz CMNHNIBYAPRDHL-ZDUSSCGKSA-N 1 0 284.404 0.638 10 0 CCAERO CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000080996502 349239283 /nfs/dbraw/zinc/23/92/83/349239283.db2.gz ATIZWXYUSAVJMW-CHWSQXEVSA-N 1 0 267.373 0.646 10 0 CCAERO [NH3+]CCOCCNC(=O)[C@@H]1Cc2ccccc2O1 ZINC000104312640 185964264 /nfs/dbraw/zinc/96/42/64/185964264.db2.gz KPLLAHCQMSWTEB-LBPRGKRZSA-N 1 0 250.298 0.082 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNCC(F)(F)F ZINC000083550430 349307324 /nfs/dbraw/zinc/30/73/24/349307324.db2.gz ZYFRKRZLWNWGKP-NXEZZACHSA-N 1 0 279.306 0.833 10 0 CCAERO COc1ccccc1N1CNC(=O)C12CC[NH2+]CC2 ZINC000084139555 349314803 /nfs/dbraw/zinc/31/48/03/349314803.db2.gz SVBJCJUBORTKGJ-UHFFFAOYSA-N 1 0 261.325 0.711 10 0 CCAERO COC[C@H](O)C[NH+]1CCC(Nc2nccc(OC)n2)CC1 ZINC000089645293 349397853 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254.355 0.421 10 0 CCAERO OCC[N@@H+]1CCCOC[C@@H]1c1ccccc1CO ZINC000616647315 365405833 /nfs/dbraw/zinc/40/58/33/365405833.db2.gz XUJHDGALMLACGK-CQSZACIVSA-N 1 0 251.326 0.935 10 0 CCAERO OCC[N@@H+]1CCCO[C@H](c2cccc(CO)c2)C1 ZINC000616648857 365407096 /nfs/dbraw/zinc/40/70/96/365407096.db2.gz FZQRJLCERODCKP-AWEZNQCLSA-N 1 0 251.326 0.935 10 0 CCAERO CC(C)(C)OC(=O)NC[C@@H]1CN(CC[NH3+])CCO1 ZINC000616648552 365407467 /nfs/dbraw/zinc/40/74/67/365407467.db2.gz NSGWFLWREBBMNI-SNVBAGLBSA-N 1 0 259.350 0.171 10 0 CCAERO Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]([NH3+])[C@H]3C2)cc1 ZINC000616590755 365376173 /nfs/dbraw/zinc/37/61/73/365376173.db2.gz KGDDKJQUWQMILK-DRZSPHRISA-N 1 0 266.366 0.963 10 0 CCAERO NC(=O)c1ccccc1[C@H]1CN(CC[NH3+])CCCO1 ZINC000616654964 365410859 /nfs/dbraw/zinc/41/08/59/365410859.db2.gz OAZVCUPQHONBOI-CYBMUJFWSA-N 1 0 263.341 0.508 10 0 CCAERO OCC[N@@H+]1CCOCC[C@H]1c1ccccc1CO ZINC000616596972 365379431 /nfs/dbraw/zinc/37/94/31/365379431.db2.gz BONGCNYXOGGNOV-AWEZNQCLSA-N 1 0 251.326 0.935 10 0 CCAERO O=C([C@H]1CCC(=O)N1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107667500 296097880 /nfs/dbraw/zinc/09/78/80/296097880.db2.gz LHLLPXCKZYFSQJ-QWHCGFSZSA-N 1 0 279.384 0.742 10 0 CCAERO CC(C)C(=O)N1CCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000335530653 212223760 /nfs/dbraw/zinc/22/37/60/212223760.db2.gz BKGWSGIHVLQDOO-CHWSQXEVSA-N 1 0 281.400 0.701 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc2c(c1)OCCCO2 ZINC000262229102 284002611 /nfs/dbraw/zinc/00/26/11/284002611.db2.gz KCSNQWRMRGZMSU-NEPJUHHUSA-N 1 0 292.335 0.158 10 0 CCAERO O=C([C@H]1COCCN1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000088371106 296138788 /nfs/dbraw/zinc/13/87/88/296138788.db2.gz PHZZWUXQSTYNKZ-QWHCGFSZSA-N 1 0 267.373 0.062 10 0 CCAERO O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCCN(CC(F)(F)F)CC1 ZINC000188711855 296147427 /nfs/dbraw/zinc/14/74/27/296147427.db2.gz WJVWSHDIWRYNSX-VHSXEESVSA-N 1 0 297.296 0.783 10 0 CCAERO CO[C@@H]1CN(CCO[C@@H]2CC2(F)F)[C@@](C)(C[NH3+])C1 ZINC000630362922 370064312 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ZINC000630368947 370069655 /nfs/dbraw/zinc/06/96/55/370069655.db2.gz UKHTZTOPKJRYCS-ZWNOBZJWSA-N 1 0 267.377 0.316 10 0 CCAERO CO[C@@H]1CN(C(=O)[C@H]2CC23CCOCC3)[C@@](C)(C[NH3+])C1 ZINC000630369788 370070779 /nfs/dbraw/zinc/07/07/79/370070779.db2.gz CNQCTIPADWSGGM-OUCADQQQSA-N 1 0 282.384 0.768 10 0 CCAERO CO[C@H]1CN(C(=O)CCn2cccn2)[C@](C)(C[NH3+])C1 ZINC000630373061 370074432 /nfs/dbraw/zinc/07/44/32/370074432.db2.gz SRSWESMLMSHJAW-YPMHNXCESA-N 1 0 266.345 0.238 10 0 CCAERO CO[C@@H]1CN(C(=O)CC[C@@H]2CCOC2)[C@](C)(C[NH3+])C1 ZINC000630372730 370074495 /nfs/dbraw/zinc/07/44/95/370074495.db2.gz RQZKGDHNUYBBOK-DYEKYZERSA-N 1 0 270.373 0.768 10 0 CCAERO CO[C@H]1CN(C(=O)c2nocc2C)[C@](C)(C[NH3+])C1 ZINC000630376171 370078776 /nfs/dbraw/zinc/07/87/76/370078776.db2.gz VNNDXAYJMLBQRA-SKDRFNHKSA-N 1 0 253.302 0.561 10 0 CCAERO CCOc1cc(NCCOCC[NH2+]C)nc(C)n1 ZINC000630527474 370147021 /nfs/dbraw/zinc/14/70/21/370147021.db2.gz MYOYWXKOQWDXDP-UHFFFAOYSA-N 1 0 254.334 0.832 10 0 CCAERO C[C@H]1CC[C@@H](Nc2cnn(C)c(=O)c2Cl)C[NH2+]1 ZINC000630535345 370155611 /nfs/dbraw/zinc/15/56/11/370155611.db2.gz UDVWLVPTZRVSFR-JGVFFNPUSA-N 1 0 256.737 0.986 10 0 CCAERO O=C(N[C@H]1CCc2n[nH]cc2C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246941153 284223776 /nfs/dbraw/zinc/22/37/76/284223776.db2.gz NPESTOUNABQNDC-STQMWFEESA-N 1 0 289.383 0.757 10 0 CCAERO CC1(C)C[NH2+]CC[C@@H](NC(=O)[C@@H]2CNC(=O)C2)C1 ZINC000634757816 372205123 /nfs/dbraw/zinc/20/51/23/372205123.db2.gz AZFSCUVIKUDHFJ-VHSXEESVSA-N 1 0 253.346 0.017 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1CCC(=O)N[C@@H]1C ZINC000333077205 205012095 /nfs/dbraw/zinc/01/20/95/205012095.db2.gz LJDUXJRCSNZJJP-UPJWGTAASA-N 1 0 296.415 0.779 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]CCO1)N[C@H]1CCOc2ccccc21 ZINC000333128709 205053899 /nfs/dbraw/zinc/05/38/99/205053899.db2.gz BKCGGQGPIVAGAQ-AAEUAGOBSA-N 1 0 291.351 0.798 10 0 CCAERO Cc1nc2ccc(NC(=O)N(C)[C@H]3C[NH2+]C[C@@H]3O)cc2o1 ZINC000333201845 205114432 /nfs/dbraw/zinc/11/44/32/205114432.db2.gz XZNZGWRGELLIAI-RYUDHWBXSA-N 1 0 290.323 0.933 10 0 CCAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000333262210 205163553 /nfs/dbraw/zinc/16/35/53/205163553.db2.gz FVKXEHRPJGDVGT-ZIAGYGMSSA-N 1 0 298.431 0.491 10 0 CCAERO CN(C)c1cc(NC(=O)N[C@@H]2CCCC[NH2+]C2)ncn1 ZINC000333281610 205181122 /nfs/dbraw/zinc/18/11/22/205181122.db2.gz HQIKTCCPKSCZQK-SNVBAGLBSA-N 1 0 278.360 0.806 10 0 CCAERO COc1nccc(NC(=O)N[C@H]2CCCC[NH2+]C2)n1 ZINC000333411747 205298579 /nfs/dbraw/zinc/29/85/79/205298579.db2.gz ZYBIXCVUZFSFQH-VIFPVBQESA-N 1 0 265.317 0.171 10 0 CCAERO CN(C(=O)NCC1CCCCC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333433285 205316307 /nfs/dbraw/zinc/31/63/07/205316307.db2.gz UXQHBSYPIBMPDO-RYUDHWBXSA-N 1 0 255.362 0.541 10 0 CCAERO Cc1nc2ccc(NC[C@]3(C)CCC[NH2+]C3)nn2n1 ZINC000333483958 205363295 /nfs/dbraw/zinc/36/32/95/205363295.db2.gz FXOQTEUDWVMQSA-CYBMUJFWSA-N 1 0 260.345 0.656 10 0 CCAERO CN(C(=O)NC[C@H]1CCCCS1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333486314 205366725 /nfs/dbraw/zinc/36/67/25/205366725.db2.gz BYQXQQFCKVPQMZ-VWYCJHECSA-N 1 0 273.402 0.246 10 0 CCAERO C[C@@H]1Oc2ccccc2[C@H]1NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333500647 205379627 /nfs/dbraw/zinc/37/96/27/205379627.db2.gz DHYUAJWDNKXEGI-HVTMNAMFSA-N 1 0 291.351 0.483 10 0 CCAERO CN1C[C@@H](NC(=O)N2CCC([NH2+]CC3CC3)CC2)CC1=O ZINC000333544470 205426169 /nfs/dbraw/zinc/42/61/69/205426169.db2.gz JREZAGLJEIQDAD-ZDUSSCGKSA-N 1 0 294.399 0.391 10 0 CCAERO C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCn2ccnc2C1 ZINC000637531188 374216500 /nfs/dbraw/zinc/21/65/00/374216500.db2.gz ZAAVOBFOOFDZCP-OLZOCXBDSA-N 1 0 291.399 0.839 10 0 CCAERO CCN1CCCN(C(=O)N[C@@H]2CC[N@H+](CC)C2)CC1=O ZINC000334116029 206026433 /nfs/dbraw/zinc/02/64/33/206026433.db2.gz HGSCLVIXHKSNFT-GFCCVEGCSA-N 1 0 282.388 0.344 10 0 CCAERO CC[C@H](NC(C)=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000637815359 374349621 /nfs/dbraw/zinc/34/96/21/374349621.db2.gz TULAEKRVKIODDI-MBYGNEARSA-N 1 0 253.346 0.300 10 0 CCAERO C[C@@H]1C[C@@H]1NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637933866 374487195 /nfs/dbraw/zinc/48/71/95/374487195.db2.gz KBRQUVOZBHJJDW-XBFCOCLRSA-N 1 0 261.369 0.970 10 0 CCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638168264 374748614 /nfs/dbraw/zinc/74/86/14/374748614.db2.gz CNQGJFOJFQOAEN-CFVMTHIKSA-N 1 0 291.395 0.739 10 0 CCAERO COC1CC(C(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)C1 ZINC000638229273 374819394 /nfs/dbraw/zinc/81/93/94/374819394.db2.gz IUMJZNXSQYAEAK-HCWSGVFWSA-N 1 0 254.330 0.001 10 0 CCAERO CC(C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CN(C)CCO1 ZINC000638273920 374876181 /nfs/dbraw/zinc/87/61/81/374876181.db2.gz COGNPXJEOJQBEC-NEPJUHHUSA-N 1 0 257.378 0.197 10 0 CCAERO CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000638434638 375036442 /nfs/dbraw/zinc/03/64/42/375036442.db2.gz OGYVEJPFPQFPKK-RKDXNWHRSA-N 1 0 281.278 0.345 10 0 CCAERO CCOC[C@@H]1CN(C(=O)[C@H]2CCC[NH2+][C@H]2C)CCO1 ZINC000638606455 375186415 /nfs/dbraw/zinc/18/64/15/375186415.db2.gz UDUDKILADUICKX-AVGNSLFASA-N 1 0 270.373 0.638 10 0 CCAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)C1(C[NH3+])CCOCC1 ZINC000638627290 375229426 /nfs/dbraw/zinc/22/94/26/375229426.db2.gz FPECZOAILRFCCZ-KXNHARMFSA-N 1 0 270.373 0.670 10 0 CCAERO [NH3+]C1(C(=O)N[C@@H]2CO[C@H](C3CC3)C2)CCOCC1 ZINC000638694756 375299588 /nfs/dbraw/zinc/29/95/88/375299588.db2.gz IFCZXOYKLFXNMX-QWRGUYRKSA-N 1 0 254.330 0.178 10 0 CCAERO [NH3+]C1(C(=O)N[C@H]2CO[C@H](C3CC3)C2)CCOCC1 ZINC000638694755 375300593 /nfs/dbraw/zinc/30/05/93/375300593.db2.gz IFCZXOYKLFXNMX-MNOVXSKESA-N 1 0 254.330 0.178 10 0 CCAERO C[C@@H]1CN(C(=O)c2ccc(S(C)(=O)=O)cc2)C[C@@H]1C[NH3+] ZINC000638884617 375425492 /nfs/dbraw/zinc/42/54/92/375425492.db2.gz CZGOBTUEGANJBQ-PWSUYJOCSA-N 1 0 296.392 0.757 10 0 CCAERO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C3CC3)C2)C[C@H]1C[NH3+] ZINC000638887845 375426483 /nfs/dbraw/zinc/42/64/83/375426483.db2.gz QACBTWFXQJNXGK-GMTAPVOTSA-N 1 0 265.357 0.051 10 0 CCAERO CC(=O)N[C@H](C(=O)N1C[C@H](C)[C@H](C[NH3+])C1)C(C)C ZINC000638888265 375428231 /nfs/dbraw/zinc/42/82/31/375428231.db2.gz RVMTZLBXHUKHDB-WCQGTBRESA-N 1 0 255.362 0.200 10 0 CCAERO CC(=O)N1CCC[C@H](C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)C1 ZINC000638893395 375431574 /nfs/dbraw/zinc/43/15/74/375431574.db2.gz ZFHJRJSOOCLGSN-WXHSDQCUSA-N 1 0 267.373 0.298 10 0 CCAERO CCc1nn(C)cc1C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638898157 375435600 /nfs/dbraw/zinc/43/56/00/375435600.db2.gz IOSCAFJSBHYYDZ-UWVGGRQHSA-N 1 0 250.346 0.649 10 0 CCAERO C[C@H]1CN(C(=O)Cc2cnn3ccccc23)C[C@@H]1C[NH3+] ZINC000638900227 375438423 /nfs/dbraw/zinc/43/84/23/375438423.db2.gz FYLFHPAFXVCFSM-AAEUAGOBSA-N 1 0 272.352 0.930 10 0 CCAERO Cn1cc(CCC[NH2+]C[C@H]2CC(=O)N(C)C2)cn1 ZINC000639322545 375726044 /nfs/dbraw/zinc/72/60/44/375726044.db2.gz VWHPGYBCPPPMGE-GFCCVEGCSA-N 1 0 250.346 0.421 10 0 CCAERO Cc1ccc([C@@H](O)CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1 ZINC000261713962 190043042 /nfs/dbraw/zinc/04/30/42/190043042.db2.gz IXHFYZWWIHNATR-RDBSUJKOSA-N 1 0 278.352 0.651 10 0 CCAERO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2cnn(CC(F)F)c2)O1 ZINC000261740294 190043219 /nfs/dbraw/zinc/04/32/19/190043219.db2.gz DGYKOISZRHVRBM-BDAKNGLRSA-N 1 0 274.271 0.593 10 0 CCAERO CN(C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)C1CCC1 ZINC000262111341 190048500 /nfs/dbraw/zinc/04/85/00/190048500.db2.gz FKJRRVIAKSNBSP-OLZOCXBDSA-N 1 0 262.357 0.734 10 0 CCAERO O=C(Nc1cnn(-c2ccccc2)c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262364935 190054224 /nfs/dbraw/zinc/05/42/24/190054224.db2.gz JEBLFSYEYLRWRL-STQMWFEESA-N 1 0 272.308 0.534 10 0 CCAERO CC[C@@H](C(=O)N1CC[C@@H](n2ccnn2)C1)[NH+](C)C ZINC000640500419 376405627 /nfs/dbraw/zinc/40/56/27/376405627.db2.gz KXOPOFLWYRIPFJ-MNOVXSKESA-N 1 0 251.334 0.392 10 0 CCAERO COc1c(C[NH2+][C@@H](CO)CC(F)F)c(C)nn1C ZINC000641761440 377447351 /nfs/dbraw/zinc/44/73/51/377447351.db2.gz ILSJUOWGNYFXIQ-MRVPVSSYSA-N 1 0 263.288 0.843 10 0 CCAERO CCC[C@H](C(=O)N1CCC[C@@H](CC(N)=O)C1)[NH+](C)C ZINC000127033517 284732883 /nfs/dbraw/zinc/73/28/83/284732883.db2.gz KKNLKGOBTUAMNR-NWDGAFQWSA-N 1 0 269.389 0.831 10 0 CCAERO CCO[C@@H]1C[C@@H]([NH2+]CC2(O)CCOCC2)[C@@H]1OC ZINC000131795431 284810294 /nfs/dbraw/zinc/81/02/94/284810294.db2.gz AOADLTBYKCVZFH-UTUOFQBUSA-N 1 0 259.346 0.310 10 0 CCAERO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000334878940 207232769 /nfs/dbraw/zinc/23/27/69/207232769.db2.gz GFUUCHFYOGBKNW-ZYHUDNBSSA-N 1 0 261.325 0.882 10 0 CCAERO C[NH+](C)[C@H](CNC(=O)[C@H]1CNC(=O)C1)c1cccc(F)c1 ZINC000194860542 284936179 /nfs/dbraw/zinc/93/61/79/284936179.db2.gz BZWWUAVQVANJSA-DGCLKSJQSA-N 1 0 293.342 0.681 10 0 CCAERO NC(=O)CCC[NH2+]C[C@@H](O)c1ccc2c(c1)OCO2 ZINC000037894527 184544055 /nfs/dbraw/zinc/54/40/55/184544055.db2.gz AIASTRTZZBGSKK-SNVBAGLBSA-N 1 0 266.297 0.304 10 0 CCAERO CCOCC[N@@H+]1CCN(CCOCCO)C[C@H]1C ZINC000246260837 285012678 /nfs/dbraw/zinc/01/26/78/285012678.db2.gz YLOCIPKNBAMTMI-CYBMUJFWSA-N 1 0 260.378 0.038 10 0 CCAERO C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1N1CCOCC1 ZINC000246341422 285016067 /nfs/dbraw/zinc/01/60/67/285016067.db2.gz FIRDGECNHNCRHO-ZIAGYGMSSA-N 1 0 281.400 0.261 10 0 CCAERO CC[C@@H]1CN(C(=O)[C@H]2CCOC2)CC[N@@H+]1C[C@@H](C)O ZINC000246768787 285031962 /nfs/dbraw/zinc/03/19/62/285031962.db2.gz ICOJJFRFFZLGDB-FRRDWIJNSA-N 1 0 270.373 0.327 10 0 CCAERO CC[C@H]1C[N@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)CCS1 ZINC000247461149 285052160 /nfs/dbraw/zinc/05/21/60/285052160.db2.gz IJLPNWGRVAYPMR-NEPJUHHUSA-N 1 0 299.440 0.538 10 0 CCAERO C[C@@H]1N(C(=O)NC[C@@H]2CC[NH2+]C2)CCOC1(C)C ZINC000335284635 208101032 /nfs/dbraw/zinc/10/10/32/208101032.db2.gz GPAVYQIBCLUSRG-WDEREUQCSA-N 1 0 255.362 0.805 10 0 CCAERO CC1(C)C[C@H]1NC(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335287756 208107146 /nfs/dbraw/zinc/10/71/46/208107146.db2.gz INVYMIOBXALIJU-YGRLFVJLSA-N 1 0 265.357 0.256 10 0 CCAERO Cc1nn(C)c(C)c1CC(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000335380472 208323616 /nfs/dbraw/zinc/32/36/16/208323616.db2.gz LUIRXROYBIUEMU-UFBFGSQYSA-N 1 0 250.346 0.385 10 0 CCAERO CO[C@@H]1CC[C@H](NC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)C1 ZINC000249116904 285102131 /nfs/dbraw/zinc/10/21/31/285102131.db2.gz YSALQNKOBCUFBW-XDQVBPFNSA-N 1 0 299.415 0.650 10 0 CCAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000572112493 291858049 /nfs/dbraw/zinc/85/80/49/291858049.db2.gz MAZKPIGJRAHZJX-MNOVXSKESA-N 1 0 278.418 0.265 10 0 CCAERO COC(=O)[C@@]1(C)CCCN1CCN1CCO[C@H](C)C1 ZINC000249278149 285107949 /nfs/dbraw/zinc/10/79/49/285107949.db2.gz LTTLBXSBYVDWJK-TZMCWYRMSA-N 1 0 270.373 0.735 10 0 CCAERO C[C@H](O)CN1CC[N@H+](CC[C@@H]2CCCO2)C[C@H]1C ZINC000249383656 285113345 /nfs/dbraw/zinc/11/33/45/285113345.db2.gz QTTGIDYIYOKYRX-RDBSUJKOSA-N 1 0 256.390 0.942 10 0 CCAERO COC[C@H]([NH2+]C[C@H](C)N1CCOCC1)C1CCOCC1 ZINC000187728334 533091340 /nfs/dbraw/zinc/09/13/40/533091340.db2.gz XCOBZQJGLSBAQK-ZFWWWQNUSA-N 1 0 286.416 0.738 10 0 CCAERO CC(C)CCNC(=O)[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000392946132 285206677 /nfs/dbraw/zinc/20/66/77/285206677.db2.gz SDCWWCJGBNDYPV-SDDRHHMPSA-N 1 0 269.389 0.794 10 0 CCAERO CCOC(=O)N1CCC([NH2+][C@@H]2CCC(=O)N[C@@H]2C)CC1 ZINC000392961744 285207083 /nfs/dbraw/zinc/20/70/83/285207083.db2.gz YMPPAXYPJXLOJH-ZYHUDNBSSA-N 1 0 283.372 0.864 10 0 CCAERO O=c1cc(C(F)(F)F)nc(N[C@@H]2CCC[NH2+]C2)[nH]1 ZINC000057342913 285216746 /nfs/dbraw/zinc/21/67/46/285216746.db2.gz XPHGHKWRRLKVTI-ZCFIWIBFSA-N 1 0 262.235 0.953 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)[C@H](C)COC ZINC000245419710 285241249 /nfs/dbraw/zinc/24/12/49/285241249.db2.gz LYYBVSRWOBBFKY-VXGBXAGGSA-N 1 0 278.418 0.767 10 0 CCAERO CC(C)[C@H]1CN(C(=O)C(C)(C)N2CC[NH2+]CC2)CCO1 ZINC000575043739 335058353 /nfs/dbraw/zinc/05/83/53/335058353.db2.gz NNWPEKLTOMVIRJ-CYBMUJFWSA-N 1 0 283.416 0.554 10 0 CCAERO O=C(N[C@H]1C[NH2+]CC[C@@H]1O)OCc1ccccc1 ZINC000107259777 256701222 /nfs/dbraw/zinc/70/12/22/256701222.db2.gz BVGWHCKPKOUPKY-RYUDHWBXSA-N 1 0 250.298 0.636 10 0 CCAERO COCC(=O)NC1CN(C[C@H](O)c2ccccc2)C1 ZINC000185092805 388785495 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256.309 0.708 10 0 CCAERO Cn1cc(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)cn1 ZINC000192768559 389052077 /nfs/dbraw/zinc/05/20/77/389052077.db2.gz JYBJNLFEOASVTP-LBPRGKRZSA-N 1 0 281.360 0.388 10 0 CCAERO NC(=O)c1c[nH+]ccc1N1CCC[C@@H](Cn2cncn2)C1 ZINC000302016196 389062302 /nfs/dbraw/zinc/06/23/02/389062302.db2.gz FPQYOBWUYUAKAE-LLVKDONJSA-N 1 0 286.339 0.689 10 0 CCAERO CNC(=O)CNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000193221472 389063592 /nfs/dbraw/zinc/06/35/92/389063592.db2.gz ZBAYNSNLZRYHHV-SNVBAGLBSA-N 1 0 258.366 0.008 10 0 CCAERO CCn1ncnc1CN(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000193336861 389066629 /nfs/dbraw/zinc/06/66/29/389066629.db2.gz AOORFGQHNQFPGC-ZDUSSCGKSA-N 1 0 295.431 0.823 10 0 CCAERO CC1CCC(O)(C[NH+]2CCN(C(=O)CO)CC2)CC1 ZINC000305749803 389088179 /nfs/dbraw/zinc/08/81/79/389088179.db2.gz YALISKKADCELRI-UHFFFAOYSA-N 1 0 270.373 0.064 10 0 CCAERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)NC1CC1)CC2 ZINC000105872819 389088465 /nfs/dbraw/zinc/08/84/65/389088465.db2.gz 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Cc1cnc(CC[N@@H+](C)C[C@H](O)CN2CCCC2=O)s1 ZINC000157789855 389333146 /nfs/dbraw/zinc/33/31/46/389333146.db2.gz SURXEBQMOPVDQM-LBPRGKRZSA-N 1 0 297.424 0.909 10 0 CCAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@@H]1C(=O)NC ZINC000158383833 389340984 /nfs/dbraw/zinc/34/09/84/389340984.db2.gz ZWVPGQFCDMYVBF-QWHCGFSZSA-N 1 0 296.415 0.781 10 0 CCAERO CC[NH+](CC)CCN1CCO[C@H](CC(=O)OC)C1 ZINC000152037597 389282890 /nfs/dbraw/zinc/28/28/90/389282890.db2.gz CHUAISYRHPNOAE-GFCCVEGCSA-N 1 0 258.362 0.592 10 0 CCAERO COC[C@H]([NH3+])C(=O)N1CCC[C@H](n2cccn2)C1 ZINC000262342068 389284958 /nfs/dbraw/zinc/28/49/58/389284958.db2.gz SVMBHOJMRNAKGW-QWRGUYRKSA-N 1 0 252.318 0.020 10 0 CCAERO CCC[C@@H](NC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000262586286 389290021 /nfs/dbraw/zinc/29/00/21/389290021.db2.gz OTQNXAPGJKKVGX-KXUCPTDWSA-N 1 0 256.350 0.067 10 0 CCAERO CC(C)[C@@H](C(=O)N1CCO[C@@H](CO)C1)[NH+]1CCCCC1 ZINC000408371244 389342666 /nfs/dbraw/zinc/34/26/66/389342666.db2.gz AACIDPOSVDTGLJ-KGLIPLIRSA-N 1 0 284.400 0.717 10 0 CCAERO CN(C(=O)N[C@@H]1CCCCC1(C)C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333139907 389405989 /nfs/dbraw/zinc/40/59/89/389405989.db2.gz CWVZWOMWXRIWTP-SDDRHHMPSA-N 1 0 269.389 0.929 10 0 CCAERO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000333329894 389409590 /nfs/dbraw/zinc/40/95/90/389409590.db2.gz QUNYZFGMFVJSJX-BBRMVZONSA-N 1 0 293.411 0.988 10 0 CCAERO Cc1nsc(N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)n1 ZINC000333368645 389410594 /nfs/dbraw/zinc/41/05/94/389410594.db2.gz FDPSIEMKCMVYHP-VHSXEESVSA-N 1 0 264.358 0.511 10 0 CCAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)[C@H]1CCNC1=O ZINC000332758393 389366607 /nfs/dbraw/zinc/36/66/07/389366607.db2.gz WXNCJOQGABWZMF-RYUDHWBXSA-N 1 0 282.388 0.391 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCN(C)C2=O)C1 ZINC000172561073 389490293 /nfs/dbraw/zinc/49/02/93/389490293.db2.gz VBXIWLLESQUXAV-WDEREUQCSA-N 1 0 268.361 0.001 10 0 CCAERO CN1C[C@@H](NC(=O)N2CCC[N@@H+](C3CC3)CC2)CCC1=O ZINC000172618498 389491517 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PFZUDZVCXIPPLA-VXGBXAGGSA-N 1 0 260.403 0.624 10 0 CCAERO CO[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(F)c(F)c1 ZINC000036236005 172533249 /nfs/dbraw/zinc/53/32/49/172533249.db2.gz JXJGHMLEASGRCY-MNOVXSKESA-N 1 0 256.252 0.681 10 0 CCAERO CCCN(C(=O)[C@@H](C)n1cncn1)[C@@H]1CCC[NH2+]C1 ZINC000037541496 173263027 /nfs/dbraw/zinc/26/30/27/173263027.db2.gz FGNUJLKLXHYCAP-VXGBXAGGSA-N 1 0 265.361 0.830 10 0 CCAERO OC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cnc2ccccc2n1 ZINC000660148549 414156020 /nfs/dbraw/zinc/15/60/20/414156020.db2.gz QEHNPYVNAUZTGC-VXGBXAGGSA-N 1 0 259.309 0.557 10 0 CCAERO CCNS(=O)(=O)c1ccc(NC(=O)C[C@@H](C)[NH3+])cc1 ZINC000037608502 173556474 /nfs/dbraw/zinc/55/64/74/173556474.db2.gz HIUQKVMBAJPANL-SECBINFHSA-N 1 0 285.369 0.661 10 0 CCAERO C[C@@H]([NH3+])c1ccc(O[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 ZINC000037697428 173622687 /nfs/dbraw/zinc/62/26/87/173622687.db2.gz IGNTZKJDDRCPNV-JFUSQASVSA-N 1 0 271.338 0.243 10 0 CCAERO COCCOCCOCCC[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000660691007 414446581 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/nfs/dbraw/zinc/78/39/83/414783983.db2.gz KUKDNFLNRCDRQM-ZCFIWIBFSA-N 1 0 275.150 0.520 10 0 CCAERO O=C([C@H]1C[C@H]2C[C@H]2C1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000662778321 414785717 /nfs/dbraw/zinc/78/57/17/414785717.db2.gz GOXABGLGAVOSDM-KSSYENDESA-N 1 0 250.342 0.622 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@H]1CCCC2(CC2)C1 ZINC000662563140 414728685 /nfs/dbraw/zinc/72/86/85/414728685.db2.gz MVKLCTCRPQIFAU-SDDRHHMPSA-N 1 0 252.358 0.653 10 0 CCAERO COC[C@H](CCNC(=O)CC[C@H]1CCC[NH2+]1)OC ZINC000662615962 414732735 /nfs/dbraw/zinc/73/27/35/414732735.db2.gz DHWJIRSUKITAHL-NEPJUHHUSA-N 1 0 258.362 0.686 10 0 CCAERO CCC[C@H]([NH3+])C(=O)NCCC1(CS(C)(=O)=O)CC1 ZINC000662618024 414733039 /nfs/dbraw/zinc/73/30/39/414733039.db2.gz TVWCLIVEVKLFDN-JTQLQIEISA-N 1 0 276.402 0.445 10 0 CCAERO COC[C@H](CCNC(=O)[C@]1(C)CCCC[NH2+]1)OC ZINC000662618203 414733268 /nfs/dbraw/zinc/73/32/68/414733268.db2.gz VWLDVYZSZVMEKD-AAEUAGOBSA-N 1 0 258.362 0.686 10 0 CCAERO C[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)n2cc(N)cn2)C1 ZINC000662789523 414794785 /nfs/dbraw/zinc/79/47/85/414794785.db2.gz YZHUNWKBITVJGT-LLVKDONJSA-N 1 0 265.361 0.363 10 0 CCAERO O=C(N[C@H](CO)C1CCC1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000662852116 414841477 /nfs/dbraw/zinc/84/14/77/414841477.db2.gz HMIZKZWAIKDVCF-OPRDCNLKSA-N 1 0 280.290 0.662 10 0 CCAERO CCC1(NC(=O)[C@H]2C[NH2+]CCOC2)CCOCC1 ZINC000662861860 414851101 /nfs/dbraw/zinc/85/11/01/414851101.db2.gz WJZRWZUSVXKWSH-NSHDSACASA-N 1 0 256.346 0.298 10 0 CCAERO CN(C(=O)c1ccc(=O)[nH]c1)[C@H](C[NH3+])C(F)(F)F ZINC000662977056 414929494 /nfs/dbraw/zinc/92/94/94/414929494.db2.gz SEIOPBXPSSVCMO-SSDOTTSWSA-N 1 0 263.219 0.749 10 0 CCAERO CN(C(=O)[C@H]1CC(=O)N(C2CC2)C1)[C@@H](C[NH3+])C(F)(F)F ZINC000662976293 414930668 /nfs/dbraw/zinc/93/06/68/414930668.db2.gz FJGBSOWAZGTOHD-CBAPKCEASA-N 1 0 293.289 0.345 10 0 CCAERO CN(C(=O)C[C@H]1CCCO1)[C@H](C[NH3+])C(F)(F)F ZINC000662978342 414931928 /nfs/dbraw/zinc/93/19/28/414931928.db2.gz PGUWQYZSUKANMY-HTQZYQBOSA-N 1 0 254.252 0.904 10 0 CCAERO CN(C(=O)CCn1ccnc1)[C@H](C[NH3+])C(F)(F)F ZINC000662980640 414932256 /nfs/dbraw/zinc/93/22/56/414932256.db2.gz JQSGWSCJUMINDQ-MRVPVSSYSA-N 1 0 264.251 0.621 10 0 CCAERO CN(C(=O)c1ccc2n[nH]nc2c1)[C@@H](C[NH3+])C(F)(F)F ZINC000662983655 414933694 /nfs/dbraw/zinc/93/36/94/414933694.db2.gz FKCFYSRTHJXQBJ-VIFPVBQESA-N 1 0 287.245 0.920 10 0 CCAERO CN(C(=O)c1cncn1C)[C@H](C[NH3+])C(F)(F)F ZINC000662985714 414935356 /nfs/dbraw/zinc/93/53/56/414935356.db2.gz YWDRTXJQUXCECV-SSDOTTSWSA-N 1 0 250.224 0.382 10 0 CCAERO CN(C(=O)c1nnn(C(C)(C)C)n1)[C@H](C[NH3+])C(F)(F)F ZINC000662986679 414935423 /nfs/dbraw/zinc/93/54/23/414935423.db2.gz HYVIFVIYWORTIU-ZCFIWIBFSA-N 1 0 294.281 0.390 10 0 CCAERO CO[C@@H](CNC(=O)[C@@H]1C[NH2+]CCOC1)C1CCCCC1 ZINC000662928637 414897652 /nfs/dbraw/zinc/89/76/52/414897652.db2.gz RPWOHWMLFZYLOH-KGLIPLIRSA-N 1 0 284.400 0.934 10 0 CCAERO C[C@@H]1CCC[C@H](NS(=O)(=O)N(C)CCC[NH3+])C1 ZINC000042525165 174774979 /nfs/dbraw/zinc/77/49/79/174774979.db2.gz LDHWPZPCBAQWIE-MNOVXSKESA-N 1 0 263.407 0.680 10 0 CCAERO CC(C)(C)[C@H]([NH3+])C(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000044363720 175167558 /nfs/dbraw/zinc/16/75/58/175167558.db2.gz ZQVUYDHEESROTJ-LDYMZIIASA-N 1 0 262.375 0.053 10 0 CCAERO CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1cc[nH+]c2ccccc12 ZINC000664267730 415319495 /nfs/dbraw/zinc/31/94/95/415319495.db2.gz MJYXFHAYCPTXOP-ZIAGYGMSSA-N 1 0 292.360 0.881 10 0 CCAERO Cc1nc(C2CC[NH2+]CC2)cc(N2CCC[C@@H]2C(N)=O)n1 ZINC000067954431 175803835 /nfs/dbraw/zinc/80/38/35/175803835.db2.gz QYUKYLTUUHZVBU-CYBMUJFWSA-N 1 0 289.383 0.706 10 0 CCAERO CN(CCN1CC[NH2+]CC1)S(=O)(=O)C1CCCCC1 ZINC000071149891 176045328 /nfs/dbraw/zinc/04/53/28/176045328.db2.gz NKAGSOJEEUZPNP-UHFFFAOYSA-N 1 0 289.445 0.486 10 0 CCAERO CC[C@@H](C)NC(=O)[C@@H](C)N(CCC[NH3+])CCOC ZINC000071224814 176089288 /nfs/dbraw/zinc/08/92/88/176089288.db2.gz OSNHMITVXOQEIU-VXGBXAGGSA-N 1 0 259.394 0.587 10 0 CCAERO CN(CC(=O)Nc1sccc1C(N)=O)[C@@H]1CC[NH2+]C1 ZINC000071311391 176118434 /nfs/dbraw/zinc/11/84/34/176118434.db2.gz HYIMXJLJLLLIJH-MRVPVSSYSA-N 1 0 282.369 0.079 10 0 CCAERO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cc[nH]c1 ZINC000071330617 176124427 /nfs/dbraw/zinc/12/44/27/176124427.db2.gz MSAGWHOZXNLEHP-SNVBAGLBSA-N 1 0 257.359 0.777 10 0 CCAERO Cc1n[nH]c(C)c1S(=O)(=O)NC[C@@H]1[NH2+]CCC[C@@H]1C ZINC000071339050 176129334 /nfs/dbraw/zinc/12/93/34/176129334.db2.gz SHBDQDWYRUDSPB-KWQFWETISA-N 1 0 286.401 0.693 10 0 CCAERO CCc1ccc(OC)c(S(=O)(=O)NCC[NH3+])c1 ZINC000071584506 176208782 /nfs/dbraw/zinc/20/87/82/176208782.db2.gz NOJHMMOBTIMREC-UHFFFAOYSA-N 1 0 258.343 0.495 10 0 CCAERO COc1cc2c(cc1OC)CN(CCNC(N)=[NH2+])CC2 ZINC000071629327 176235877 /nfs/dbraw/zinc/23/58/77/176235877.db2.gz YHICHAIVWDPRGJ-UHFFFAOYSA-N 1 0 278.356 0.545 10 0 CCAERO [NH3+]Cc1cnn([C@@H]2CCS(=O)(=O)C2)c1C(F)(F)F ZINC000075893200 176814739 /nfs/dbraw/zinc/81/47/39/176814739.db2.gz KRTGCXKCRNHJDR-SSDOTTSWSA-N 1 0 283.275 0.720 10 0 CCAERO C[NH2+]CCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000076666431 177050856 /nfs/dbraw/zinc/05/08/56/177050856.db2.gz FIEWUGQRGGDKAE-UHFFFAOYSA-N 1 0 258.343 0.681 10 0 CCAERO C[C@H](CCC[NH3+])C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000076675226 177055583 /nfs/dbraw/zinc/05/55/83/177055583.db2.gz XULAMXUZPFGNHK-NXEZZACHSA-N 1 0 262.375 0.007 10 0 CCAERO CC[C@@H](C[NH3+])CCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000076675239 177055610 /nfs/dbraw/zinc/05/56/10/177055610.db2.gz UALWRFIAPVHYKW-NXEZZACHSA-N 1 0 262.375 0.055 10 0 CCAERO [NH3+]C[C@H](CC(=O)NC[C@H]1CCCO1)c1ccncc1 ZINC000076678226 177056922 /nfs/dbraw/zinc/05/69/22/177056922.db2.gz MLZIDXUKKQHABQ-QWHCGFSZSA-N 1 0 263.341 0.809 10 0 CCAERO O=[S@]1CC[NH2+][C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000076699215 177061621 /nfs/dbraw/zinc/06/16/21/177061621.db2.gz JSWFSLOAWWCYIU-KBXCAEBGSA-N 1 0 264.394 0.983 10 0 CCAERO CN(Cc1ccc2nccnc2c1)C[C@@]1(O)CC[NH2+]C1 ZINC000077505653 177275933 /nfs/dbraw/zinc/27/59/33/177275933.db2.gz CBBQAGZDCXUSEF-OAHLLOKOSA-N 1 0 272.352 0.786 10 0 CCAERO C[NH2+][C@H](C)c1ccc(-n2cc(S(C)(=O)=O)cn2)nc1 ZINC000725242261 545873059 /nfs/dbraw/zinc/87/30/59/545873059.db2.gz QGTAZOQUXQSOGW-SECBINFHSA-N 1 0 280.353 0.951 10 0 CCAERO CC(C)(C)OC(=O)[C@]1(C[NH3+])CCCS(=O)(=O)C1 ZINC000725244996 545874583 /nfs/dbraw/zinc/87/45/83/545874583.db2.gz PFVNDBTVSFWBNX-NSHDSACASA-N 1 0 263.359 0.482 10 0 CCAERO Cc1cc(-n2cc(S(C)(=O)=O)cn2)c(C[NH3+])c(C)n1 ZINC000725251561 545876191 /nfs/dbraw/zinc/87/61/91/545876191.db2.gz BPCIPTZCLAUVNU-UHFFFAOYSA-N 1 0 280.353 0.746 10 0 CCAERO CS(=O)(=O)c1cnn(Cc2ccc(F)cc2C[NH3+])c1 ZINC000725253823 545878073 /nfs/dbraw/zinc/87/80/73/545878073.db2.gz ZSBKHDBVGVNHGX-UHFFFAOYSA-N 1 0 283.328 0.933 10 0 CCAERO CC[NH2+][C@@H](Cn1cc(S(C)(=O)=O)cn1)C(C)C ZINC000725252577 545878135 /nfs/dbraw/zinc/87/81/35/545878135.db2.gz NOUYNIQXHLUBLQ-NSHDSACASA-N 1 0 259.375 0.921 10 0 CCAERO CS(=O)(=O)c1cnn(-c2cccc(F)c2C[NH3+])c1 ZINC000725253696 545878499 /nfs/dbraw/zinc/87/84/99/545878499.db2.gz ZDTZJQIRJSEZOO-UHFFFAOYSA-N 1 0 269.301 0.874 10 0 CCAERO CC[NH2+][C@@H](Cn1cc(S(C)(=O)=O)cn1)C1CC1 ZINC000725253373 545878568 /nfs/dbraw/zinc/87/85/68/545878568.db2.gz UHYBTZYUTITTBQ-NSHDSACASA-N 1 0 257.359 0.675 10 0 CCAERO CC[NH2+][C@H]1CC[C@H](n2cc(S(C)(=O)=O)cn2)C1 ZINC000725252631 545878955 /nfs/dbraw/zinc/87/89/55/545878955.db2.gz OMHDJJDCDTVHSC-UWVGGRQHSA-N 1 0 257.359 0.990 10 0 CCAERO CS(=O)(=O)c1cnn(CC[C@@H]2CCC[NH2+]C2)c1 ZINC000725252982 545879014 /nfs/dbraw/zinc/87/90/14/545879014.db2.gz QIYAPVGBZHJCMD-JTQLQIEISA-N 1 0 257.359 0.676 10 0 CCAERO [NH3+][C@H](CNC(=O)NC1CCCCC1)[C@@H]1CCOC1 ZINC000725255029 545879744 /nfs/dbraw/zinc/87/97/44/545879744.db2.gz OJTVFJZYMABSOF-ZYHUDNBSSA-N 1 0 255.362 0.982 10 0 CCAERO COCC(=O)N[C@H]1CC[NH2+]CC[C@@H]1C(F)(F)F ZINC000725262665 545881364 /nfs/dbraw/zinc/88/13/64/545881364.db2.gz JULTZVMMJYODCD-YUMQZZPRSA-N 1 0 254.252 0.680 10 0 CCAERO CCS(=O)(=O)N[C@H]1CC[NH2+]CC[C@@H]1C(F)(F)F ZINC000725262513 545881715 /nfs/dbraw/zinc/88/17/15/545881715.db2.gz CTQYWJBOTDWADL-YUMQZZPRSA-N 1 0 274.308 0.856 10 0 CCAERO OCCN1CC[NH+]([C@H]2CCOC23CCCC3)CC1 ZINC000725263798 545883538 /nfs/dbraw/zinc/88/35/38/545883538.db2.gz JWVVXUUCEWIAFE-ZDUSSCGKSA-N 1 0 254.374 0.698 10 0 CCAERO CC(C)(C)[NH2+]CC[C@H](CO)[C@@H]1CCS(=O)(=O)C1 ZINC000725267147 545885697 /nfs/dbraw/zinc/88/56/97/545885697.db2.gz SXOUEVWARRPKLU-GHMZBOCLSA-N 1 0 263.403 0.808 10 0 CCAERO COC(=O)C1CC[NH+]([C@@H]2CCO[C@@]23CCOC3)CC1 ZINC000725269656 545888262 /nfs/dbraw/zinc/88/82/62/545888262.db2.gz WPKCNCOPLAGJNS-TZMCWYRMSA-N 1 0 269.341 0.819 10 0 CCAERO CC(C)(O)c1cn([C@H]2CCOC3(CC[NH2+]CC3)C2)nn1 ZINC000725272822 545888320 /nfs/dbraw/zinc/88/83/20/545888320.db2.gz RSKIGMKHEOXRCY-NSHDSACASA-N 1 0 280.372 0.979 10 0 CCAERO COC(=O)[C@@H]1CCCN([C@H]2COC[C@@H]2C[NH+](C)C)C1 ZINC000725273850 545889389 /nfs/dbraw/zinc/88/93/89/545889389.db2.gz NCLBYKCDGURWTI-AGIUHOORSA-N 1 0 270.373 0.448 10 0 CCAERO O=C(c1cccc(Cl)n1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000367192074 227405760 /nfs/dbraw/zinc/40/57/60/227405760.db2.gz QLGVVUBOPFOWQV-ZJUUUORDSA-N 1 0 267.716 0.548 10 0 CCAERO CC[C@@H]1CCC[C@H](NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)C1 ZINC000085069413 544493513 /nfs/dbraw/zinc/49/35/13/544493513.db2.gz DEEOOWOCENFLLF-GRYCIOLGSA-N 1 0 290.429 0.833 10 0 CCAERO CC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000085368699 544494725 /nfs/dbraw/zinc/49/47/25/544494725.db2.gz YTYRTSLQRHWTHR-TUAOUCFPSA-N 1 0 253.346 0.241 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCC(C)(C)S(C)(=O)=O ZINC000094648782 544545772 /nfs/dbraw/zinc/54/57/72/544545772.db2.gz UUXVGHSOGDGSCG-UWVGGRQHSA-N 1 0 276.402 0.314 10 0 CCAERO NC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000089448530 544512994 /nfs/dbraw/zinc/51/29/94/544512994.db2.gz JHCSRTGXEBQQJD-GARJFASQSA-N 1 0 253.346 0.085 10 0 CCAERO CCCN(CC(=O)N(C)C)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089458354 544514372 /nfs/dbraw/zinc/51/43/72/544514372.db2.gz XVHNABWWBLTPGE-NEPJUHHUSA-N 1 0 269.389 0.688 10 0 CCAERO CN(Cc1nnc2n1CCC2)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089457314 544514587 /nfs/dbraw/zinc/51/45/87/544514587.db2.gz GDSJCINHFMCDGM-GHMZBOCLSA-N 1 0 277.372 0.558 10 0 CCAERO CN(CC(=O)N1CCCC1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091543161 544527179 /nfs/dbraw/zinc/52/71/79/544527179.db2.gz NFANXHNVAMLNOV-WDEREUQCSA-N 1 0 253.346 0.195 10 0 CCAERO NC(=O)c1cc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)ccc1F ZINC000091547163 544527619 /nfs/dbraw/zinc/52/76/19/544527619.db2.gz TZTCRKNTOSMDAN-JGVFFNPUSA-N 1 0 265.288 0.991 10 0 CCAERO C[C@@H](NC(=O)COC1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000111757496 544562515 /nfs/dbraw/zinc/56/25/15/544562515.db2.gz BRZVTKTZIFNTPK-PWSUYJOCSA-N 1 0 256.346 0.439 10 0 CCAERO O=C(COC[C@H]1CCOC1)NC1CC[NH+](C2CC2)CC1 ZINC000117748544 544565229 /nfs/dbraw/zinc/56/52/29/544565229.db2.gz HGJMKWJRBDCCHW-LBPRGKRZSA-N 1 0 282.384 0.783 10 0 CCAERO O=C(N[C@@H]1CCCNC1=O)c1cccc2c1CC[NH2+]C2 ZINC000124251151 544586742 /nfs/dbraw/zinc/58/67/42/544586742.db2.gz ROLSZOOOIPAANO-CYBMUJFWSA-N 1 0 273.336 0.341 10 0 CCAERO O=S(=O)(c1ccccc1[O-])N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128021478 544609641 /nfs/dbraw/zinc/60/96/41/544609641.db2.gz LQIVXUPHRMZQMS-LLVKDONJSA-N 1 0 282.365 0.861 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCCC(=O)N1CCCCC1 ZINC000135362715 544636005 /nfs/dbraw/zinc/63/60/05/544636005.db2.gz KPKXQNSWZZOZKO-STQMWFEESA-N 1 0 281.400 0.880 10 0 CCAERO CC[C@H](O)CC[NH2+]C[C@H](O)COCc1ccco1 ZINC000135051811 544632144 /nfs/dbraw/zinc/63/21/44/544632144.db2.gz MASQYXGZROSICV-RYUDHWBXSA-N 1 0 257.330 0.908 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)NC1CCC(C(N)=O)CC1 ZINC000136322426 544636895 /nfs/dbraw/zinc/63/68/95/544636895.db2.gz MEHJZWFSQJFNAO-ILDUYXDCSA-N 1 0 255.362 0.520 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H](C)c1nnc2n1CCC2 ZINC000136321949 544637102 /nfs/dbraw/zinc/63/71/02/544637102.db2.gz IYSINJVGHZUCJB-UWVGGRQHSA-N 1 0 265.361 0.775 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H](C)CN1CCOCC1 ZINC000136325572 544638001 /nfs/dbraw/zinc/63/80/01/544638001.db2.gz XBWFMVFVXXRXKQ-RYUDHWBXSA-N 1 0 257.378 0.197 10 0 CCAERO CNC(=O)[C@H]1CCCCN1C(=O)C[C@H]([NH3+])C(C)C ZINC000136390352 544638846 /nfs/dbraw/zinc/63/88/46/544638846.db2.gz OYCBVVHLQNCQOG-WDEREUQCSA-N 1 0 255.362 0.487 10 0 CCAERO COCCN1CCN(C(=O)c2ccc(C[NH3+])o2)C[C@@H]1C ZINC000168024756 544728516 /nfs/dbraw/zinc/72/85/16/544728516.db2.gz NHCVJYFLZNJSMW-NSHDSACASA-N 1 0 281.356 0.531 10 0 CCAERO COC[C@@H]([NH3+])C(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000159755823 544694503 /nfs/dbraw/zinc/69/45/03/544694503.db2.gz HLYJNCUPBYDZJB-VHSXEESVSA-N 1 0 252.318 0.089 10 0 CCAERO CCN1CCO[C@@H](C[NH2+]Cc2cn(C)nc2C)C1 ZINC000160147395 544696266 /nfs/dbraw/zinc/69/62/66/544696266.db2.gz DVRQOXXUQQIGMM-ZDUSSCGKSA-N 1 0 252.362 0.539 10 0 CCAERO CCN1CCO[C@@H](C[NH2+]Cc2cnn(C)c2C)C1 ZINC000160147674 544696551 /nfs/dbraw/zinc/69/65/51/544696551.db2.gz CVMIMTBCIGOGSX-ZDUSSCGKSA-N 1 0 252.362 0.539 10 0 CCAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)N[C@@H]1CCCOCC1 ZINC000181742851 544758253 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0.964 10 0 CCAERO CC(=O)N1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)[C@H](C)C1 ZINC000333816169 278036030 /nfs/dbraw/zinc/03/60/30/278036030.db2.gz KEDBQSINLTYBAE-YPMHNXCESA-N 1 0 282.388 0.391 10 0 CCAERO C[C@H](CC(=O)NCC[NH3+])S(=O)(=O)c1ccc(F)cc1 ZINC000158649214 278163364 /nfs/dbraw/zinc/16/33/64/278163364.db2.gz WTAZAJWGUIHJSG-SECBINFHSA-N 1 0 288.344 0.453 10 0 CCAERO C[C@@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000408045919 278188637 /nfs/dbraw/zinc/18/86/37/278188637.db2.gz ABDYMBPJUQKUEI-GRYCIOLGSA-N 1 0 267.373 0.441 10 0 CCAERO CC1(C)CN(C(=O)C(=O)N2CC3(C2)CCCC3)CC[C@@H]1[NH3+] ZINC000335377562 278291865 /nfs/dbraw/zinc/29/18/65/278291865.db2.gz MQPGFHWAWOJMJG-LBPRGKRZSA-N 1 0 293.411 0.975 10 0 CCAERO C[C@H]1CCC[N@H+](CC(=O)NC(=O)NC2CC2)[C@H]1CO ZINC000408003102 278341756 /nfs/dbraw/zinc/34/17/56/278341756.db2.gz GZNDTXXSCDWKQJ-ONGXEEELSA-N 1 0 269.345 0.067 10 0 CCAERO CC1(C)COCCN1CCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000181000989 278353116 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CC[N@H+](C)C[C@H]1CCN(C(=O)[C@]2(C)CCCNC2=O)C1 ZINC000365258896 279039723 /nfs/dbraw/zinc/03/97/23/279039723.db2.gz XYCGIAFMRQWVRH-IUODEOHRSA-N 1 0 281.400 0.703 10 0 CCAERO C[C@@H]1OCC[C@@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000333635863 279043208 /nfs/dbraw/zinc/04/32/08/279043208.db2.gz TWOYQPSNICHMPV-USZNOCQGSA-N 1 0 253.346 0.700 10 0 CCAERO C[C@H](CS(C)(=O)=O)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000183280699 279364963 /nfs/dbraw/zinc/36/49/63/279364963.db2.gz VUEVLSGYPQMLMJ-VXGBXAGGSA-N 1 0 298.412 0.468 10 0 CCAERO C[C@@H]1CN(CCN2CC[N@@H+]3CCCC[C@@H]3C2)CCO1 ZINC000192770062 288171532 /nfs/dbraw/zinc/17/15/32/288171532.db2.gz SPPFVBGOPXZSPD-HUUCEWRRSA-N 1 0 267.417 0.877 10 0 CCAERO CC(C)[C@@](C)(O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000408301144 280114275 /nfs/dbraw/zinc/11/42/75/280114275.db2.gz OTZZNADCLUPVEL-WCQYABFASA-N 1 0 258.362 0.182 10 0 CCAERO CC1(C)CN(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])CCO1 ZINC000334942136 281186672 /nfs/dbraw/zinc/18/66/72/281186672.db2.gz XZNAGRFVABKUJY-MNOVXSKESA-N 1 0 255.362 0.934 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000247210441 288304321 /nfs/dbraw/zinc/30/43/21/288304321.db2.gz LYKDCDFBOPAOLG-FRRDWIJNSA-N 1 0 294.399 0.472 10 0 CCAERO CC1(C)CN(C(=O)[C@@H]2CCNCC2(F)F)CC[C@@H]1[NH3+] ZINC000336509656 281197342 /nfs/dbraw/zinc/19/73/42/281197342.db2.gz BCOQJPDIXMDHBD-UWVGGRQHSA-N 1 0 275.343 0.817 10 0 CCAERO CC1(C)CN(S(=O)(=O)N2CCCCC2)CC[C@@H]1[NH3+] ZINC000261589271 281252952 /nfs/dbraw/zinc/25/29/52/281252952.db2.gz WFIPWCNMUYGOTQ-NSHDSACASA-N 1 0 275.418 0.776 10 0 CCAERO CC1(C)CN(S(=O)(=O)[C@@H]2CCCOC2)CC[C@H]1[NH3+] ZINC000261746316 281257397 /nfs/dbraw/zinc/25/73/97/281257397.db2.gz VOVGKAZCSRCLAY-GHMZBOCLSA-N 1 0 276.402 0.554 10 0 CCAERO CN(C)C(=O)[C@H]1CCCN1C(=O)CCCCCC[NH3+] ZINC000036136299 289017038 /nfs/dbraw/zinc/01/70/38/289017038.db2.gz GPGNXTXXNOPDNK-GFCCVEGCSA-N 1 0 269.389 0.975 10 0 CCAERO C[C@H](C(=O)NC(=O)NC(C)(C)C)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193634189 289331771 /nfs/dbraw/zinc/33/17/71/289331771.db2.gz HOOZAUZJMSYANS-UTUOFQBUSA-N 1 0 296.415 0.493 10 0 CCAERO C[C@H](C(=O)NCC1(CCO)CCCC1)C1C[NH2+]C1 ZINC000262417790 289350751 /nfs/dbraw/zinc/35/07/51/289350751.db2.gz RJZNXTVXDAGPIC-NSHDSACASA-N 1 0 254.374 0.901 10 0 CCAERO C[C@H]1CCN(C(=O)CN2CCCCC2=O)[C@@H](C[NH3+])C1 ZINC000261769267 290535922 /nfs/dbraw/zinc/53/59/22/290535922.db2.gz KGZLIHKLFKRWDP-NWDGAFQWSA-N 1 0 267.373 0.585 10 0 CCAERO Cc1csc(=O)n1CC[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000282395640 293019492 /nfs/dbraw/zinc/01/94/92/293019492.db2.gz PFPIBZJSNWWLKX-NXEZZACHSA-N 1 0 269.370 0.475 10 0 CCAERO CC(C)(C)n1cc(C[NH2+][C@H]2CCCN(CCO)C2)nn1 ZINC000384391543 545085195 /nfs/dbraw/zinc/08/51/95/545085195.db2.gz AQCMVAMRAYOTLK-LBPRGKRZSA-N 1 0 281.404 0.579 10 0 CCAERO CN(CCOCc1ccccc1)[C@H]1C[NH2+]C[C@@H]1O ZINC000384017638 545085235 /nfs/dbraw/zinc/08/52/35/545085235.db2.gz QAHNCSYCPBILJI-KBPBESRZSA-N 1 0 250.342 0.468 10 0 CCAERO Cn1cc(NC(=O)[C@@H]2CCCN2C2CC[NH2+]CC2)cn1 ZINC000038043149 294264669 /nfs/dbraw/zinc/26/46/69/294264669.db2.gz IRCSWSKZSWUTHL-ZDUSSCGKSA-N 1 0 277.372 0.575 10 0 CCAERO CO[C@H](C)CS(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000192918142 294293489 /nfs/dbraw/zinc/29/34/89/294293489.db2.gz KJNFUCATVUCWRI-QJPTWQEYSA-N 1 0 276.402 0.520 10 0 CCAERO C[C@@H]1CN([C@H](CNC(N)=[NH2+])c2cccs2)CCO1 ZINC000262499731 297073855 /nfs/dbraw/zinc/07/38/55/297073855.db2.gz XUVGNILMYGHIHG-NXEZZACHSA-N 1 0 268.386 0.993 10 0 CCAERO CCCn1nccc1C[NH2+][C@H]1CCCN(CCO)C1 ZINC000384647497 545085496 /nfs/dbraw/zinc/08/54/96/545085496.db2.gz YFHOUAHHJPKAQZ-ZDUSSCGKSA-N 1 0 266.389 0.839 10 0 CCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261850314 295271670 /nfs/dbraw/zinc/27/16/70/295271670.db2.gz VSBNFWDSDGMZCO-JMSVASOKSA-N 1 0 279.384 0.490 10 0 CCAERO [NH3+][C@H]1CCCC[C@@H]1NS(=O)(=O)N1CCCCC1 ZINC000038050395 295333766 /nfs/dbraw/zinc/33/37/66/295333766.db2.gz IAKJOLGEKLFJQZ-QWRGUYRKSA-N 1 0 261.391 0.577 10 0 CCAERO CS[C@@H](CO)[C@@H](C)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000367355034 295635328 /nfs/dbraw/zinc/63/53/28/295635328.db2.gz AKIIEZIENPIYOQ-DBIOUOCHSA-N 1 0 260.403 0.603 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000247032865 297099413 /nfs/dbraw/zinc/09/94/13/297099413.db2.gz GJJRNBKASDEBJW-UPJWGTAASA-N 1 0 279.384 0.550 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@@H]1N1C[C@H](C)S(=O)(=O)[C@@H](C)C1 ZINC000400992643 545089589 /nfs/dbraw/zinc/08/95/89/545089589.db2.gz QRORQTKSLSDAEK-BJDJZHNGSA-N 1 0 260.403 0.634 10 0 CCAERO C[C@@H]1C[C@@H](N2C[C@@H](C)S(=O)(=O)[C@@H](C)C2)CC[NH2+]1 ZINC000400825781 545089598 /nfs/dbraw/zinc/08/95/98/545089598.db2.gz AWKGGXXIRYBHKP-WYUUTHIRSA-N 1 0 260.403 0.634 10 0 CCAERO C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000333815168 297806074 /nfs/dbraw/zinc/80/60/74/297806074.db2.gz JYVBGUBUWRVZES-HZSPNIEDSA-N 1 0 296.415 0.243 10 0 CCAERO C[C@H](C(=O)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1)C1C[NH2+]C1 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MZWLGJSHDGLESA-TZMCWYRMSA-N 1 0 276.336 0.093 10 0 CCAERO O=C(COc1ccccc1F)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000576935011 335265578 /nfs/dbraw/zinc/26/55/78/335265578.db2.gz CYYHNIWBBJNDMO-WCQYABFASA-N 1 0 280.299 0.404 10 0 CCAERO CC[NH2+]CCS(=O)(=O)NCc1ccccc1OC ZINC000049632495 519925304 /nfs/dbraw/zinc/92/53/04/519925304.db2.gz UAZGCBDQOBJKRD-UHFFFAOYSA-N 1 0 272.370 0.724 10 0 CCAERO CC[NH2+][C@H](CCN1CCO[C@H]2CCCC[C@@H]21)C(N)=O ZINC000062524812 520188824 /nfs/dbraw/zinc/18/88/24/520188824.db2.gz IMPQBOXXSFADJG-AGIUHOORSA-N 1 0 269.389 0.483 10 0 CCAERO CCC[C@H](NC(N)=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366544704 521150161 /nfs/dbraw/zinc/15/01/61/521150161.db2.gz NCIJOBBXHSDLQD-FZMZJTMJSA-N 1 0 282.388 0.378 10 0 CCAERO C[NH2+]CCS(=O)(=O)NCCc1ccc(OC)cc1 ZINC000049629934 522014922 /nfs/dbraw/zinc/01/49/22/522014922.db2.gz LLQXPBDBXDRUFI-UHFFFAOYSA-N 1 0 272.370 0.377 10 0 CCAERO C[NH2+][C@H](C)C(=O)NCCc1ccc2c(c1)OCCO2 ZINC000052395796 522437136 /nfs/dbraw/zinc/43/71/36/522437136.db2.gz DYDMHTDILJPGQA-SNVBAGLBSA-N 1 0 264.325 0.724 10 0 CCAERO CC(C)C(=O)NCCNC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050949929 519492477 /nfs/dbraw/zinc/49/24/77/519492477.db2.gz DFNMYZYWKYGFCO-LBPRGKRZSA-N 1 0 269.389 0.797 10 0 CCAERO CC(=O)N1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000055123476 519578840 /nfs/dbraw/zinc/57/88/40/519578840.db2.gz YEPICDLHFYIJGW-DRZSPHRISA-N 1 0 267.373 0.441 10 0 CCAERO CC(C)CC[C@@](C)(C[NH3+])N1CCN(S(C)(=O)=O)CC1 ZINC000062082443 519687189 /nfs/dbraw/zinc/68/71/89/519687189.db2.gz VYPGBUYLOQETJV-ZDUSSCGKSA-N 1 0 291.461 0.717 10 0 CCAERO CCCNC(=O)CCNC(=O)[C@H]1CCC[C@@H](C)[C@@H]1[NH3+] ZINC000055141234 519872063 /nfs/dbraw/zinc/87/20/63/519872063.db2.gz ALWSSWHDKVVWAI-MDZLAQPJSA-N 1 0 269.389 0.782 10 0 CCAERO CCCNC(=O)[C@H](C)NC[C@@H](O)C[NH+](CC)CC ZINC000049203341 519892282 /nfs/dbraw/zinc/89/22/82/519892282.db2.gz UVBMOFLNOLXJPU-NWDGAFQWSA-N 1 0 259.394 0.193 10 0 CCAERO CCN(C(=O)C[NH2+][C@@H]1CN2CCC1CC2)C1CC1 ZINC000049292594 519915573 /nfs/dbraw/zinc/91/55/73/519915573.db2.gz AJTHVUUHWGBCTK-CYBMUJFWSA-N 1 0 251.374 0.681 10 0 CCAERO CCN(C(=O)C[C@@H]1CCC[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000054307814 519922467 /nfs/dbraw/zinc/92/24/67/519922467.db2.gz UUXBZUVOAOMCFZ-RYUDHWBXSA-N 1 0 288.413 0.412 10 0 CCAERO CC[NH2+]C[C@@H](C)C(=O)N1CCCC[C@H]1C(=O)NC ZINC000061236433 519933710 /nfs/dbraw/zinc/93/37/10/519933710.db2.gz OWFNIPOLYLFEQP-MNOVXSKESA-N 1 0 255.362 0.359 10 0 CCAERO CC[NH2+][C@@H](C)CC(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000061272624 520063914 /nfs/dbraw/zinc/06/39/14/520063914.db2.gz OJPXCKLHTJXKRR-GARJFASQSA-N 1 0 255.362 0.487 10 0 CCAERO CCN(CC)C(=O)[C@H](C)[NH2+]CCN(C)CCOC ZINC000061379025 520534675 /nfs/dbraw/zinc/53/46/75/520534675.db2.gz JCTZFHQNLUGNDG-LBPRGKRZSA-N 1 0 259.394 0.411 10 0 CCAERO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1nonc1N ZINC000054419770 520629556 /nfs/dbraw/zinc/62/95/56/520629556.db2.gz PODSECNESJFPCQ-SECBINFHSA-N 1 0 269.349 0.892 10 0 CCAERO CC[N@H+](CCOC)CC[C@@H](NC1CC1)C(=O)OC ZINC000062462548 521134769 /nfs/dbraw/zinc/13/47/69/521134769.db2.gz VUPLQVBDIXISHH-GFCCVEGCSA-N 1 0 258.362 0.638 10 0 CCAERO CCN1CCC([N@H+](C)CC[C@H](NC)C(=O)OC)CC1 ZINC000062463023 521562284 /nfs/dbraw/zinc/56/22/84/521562284.db2.gz QDYILHNNVZDNSG-ZDUSSCGKSA-N 1 0 271.405 0.554 10 0 CCAERO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000155408265 521742044 /nfs/dbraw/zinc/74/20/44/521742044.db2.gz HLRSHHDUUBYEQX-QJPTWQEYSA-N 1 0 283.372 0.722 10 0 CCAERO COc1cc(-n2nnnc2C[NH3+])c(OC)cc1Cl ZINC000054744399 521921708 /nfs/dbraw/zinc/92/17/08/521921708.db2.gz QNJUJUQTYKTFPV-UHFFFAOYSA-N 1 0 269.692 0.792 10 0 CCAERO COC(=O)c1cccc2[nH]c(NC(=O)[C@@H](C)[NH3+])nc21 ZINC000157820779 522249928 /nfs/dbraw/zinc/24/99/28/522249928.db2.gz XXELZZSTWGNTOR-ZCFIWIBFSA-N 1 0 262.269 0.635 10 0 CCAERO COC[C@@H]([NH3+])C(=O)Nc1ccccc1C(=O)NCC(C)C ZINC000159110313 522314308 /nfs/dbraw/zinc/31/43/08/522314308.db2.gz CSGUZFONCPYPEZ-GFCCVEGCSA-N 1 0 293.367 0.985 10 0 CCAERO CN[C@H](CC[N@H+](C)CCc1ccncc1)C(N)=O ZINC000062452501 522459549 /nfs/dbraw/zinc/45/95/49/522459549.db2.gz VZSIFLBGWABSEG-GFCCVEGCSA-N 1 0 250.346 0.019 10 0 CCAERO CCn1cc(C[C@H](C[NH2+]C)[C@H]2CCS(=O)(=O)C2)cn1 ZINC000052950006 523396379 /nfs/dbraw/zinc/39/63/79/523396379.db2.gz FADIWJJIIDDJDC-QWHCGFSZSA-N 1 0 285.413 0.716 10 0 CCAERO CC[C@@H]1COCCN1S(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000049631164 523501530 /nfs/dbraw/zinc/50/15/30/523501530.db2.gz DHJUHPZYKPOGGC-NWDGAFQWSA-N 1 0 276.402 0.569 10 0 CCAERO CCn1ccnc(N2CCC[C@H](C[NH2+]C)C2)c1=O ZINC000061767675 523506250 /nfs/dbraw/zinc/50/62/50/523506250.db2.gz ZIKHYWASEMXUGH-LLVKDONJSA-N 1 0 250.346 0.699 10 0 CCAERO CN(c1ccccn1)S(=O)(=O)C[C@@H]1CCC[NH2+]C1 ZINC000049641396 523656517 /nfs/dbraw/zinc/65/65/17/523656517.db2.gz GTFWXMULVAXQJY-LLVKDONJSA-N 1 0 269.370 0.847 10 0 CCAERO CO[C@@H]1CCC[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC000062768821 523662768 /nfs/dbraw/zinc/66/27/68/523662768.db2.gz YKZNHFWUOQFRTG-VXGBXAGGSA-N 1 0 256.346 0.439 10 0 CCAERO COc1ccc(C)cc1C[C@H]([NH3+])CS(C)(=O)=O ZINC000052788813 523816045 /nfs/dbraw/zinc/81/60/45/523816045.db2.gz IRJBNIHTANJTEW-NSHDSACASA-N 1 0 257.355 0.918 10 0 CCAERO COc1ccc(CC(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1F ZINC000262342004 523902326 /nfs/dbraw/zinc/90/23/26/523902326.db2.gz TVBAKAFPCLVBIH-ZYHUDNBSSA-N 1 0 282.315 0.073 10 0 CCAERO C[N@@H+]1CC[C@H](CNC(=O)c2nc(N)ccc2Cl)C1 ZINC000050704322 523980955 /nfs/dbraw/zinc/98/09/55/523980955.db2.gz VNWVUHNGLAVTIT-MRVPVSSYSA-N 1 0 268.748 0.999 10 0 CCAERO COCCOCCCCNC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000156921124 523991220 /nfs/dbraw/zinc/99/12/20/523991220.db2.gz KRCHZSFKDMUZNT-RYUDHWBXSA-N 1 0 258.362 0.673 10 0 CCAERO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](CN(C)C)C(C)C ZINC000049205320 524077941 /nfs/dbraw/zinc/07/79/41/524077941.db2.gz FFTXYYAFEHRIGK-ZJUUUORDSA-N 1 0 258.366 0.006 10 0 CCAERO C[C@@H](CC[NH+](C)C)Nc1ncc(N)cc1C(N)=O ZINC000049555449 524481297 /nfs/dbraw/zinc/48/12/97/524481297.db2.gz HMYABELOHJAPDE-QMMMGPOBSA-N 1 0 251.334 0.515 10 0 CCAERO C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055088767 524644468 /nfs/dbraw/zinc/64/44/68/524644468.db2.gz SWFHKDZYTOEJQS-KXNHARMFSA-N 1 0 267.373 0.616 10 0 CCAERO C[C@@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)N1CCCC[C@@H]1C(N)=O ZINC000055135151 524684478 /nfs/dbraw/zinc/68/44/78/524684478.db2.gz YSSDIJCROSDBJB-NOOOWODRSA-N 1 0 267.373 0.616 10 0 CCAERO C[C@H]1C[C@H](C(=O)NC[C@@H]2COCCO2)CC[C@@H]1[NH3+] ZINC000055132780 524867567 /nfs/dbraw/zinc/86/75/67/524867567.db2.gz QKNCMQVHICYMBN-QCNOEVLYSA-N 1 0 256.346 0.282 10 0 CCAERO COc1nc(Cl)nc(OCC2CC[NH2+]CC2)n1 ZINC000061514998 524974672 /nfs/dbraw/zinc/97/46/72/524974672.db2.gz DTHFLVLQGCYUMV-UHFFFAOYSA-N 1 0 258.709 0.912 10 0 CCAERO Cc1ccc(NC(=O)Cn2cc(C[NH3+])nn2)cc1C ZINC000050224856 525104714 /nfs/dbraw/zinc/10/47/14/525104714.db2.gz GYXRVVDCLWLWKY-UHFFFAOYSA-N 1 0 259.313 0.992 10 0 CCAERO CS(=O)(=O)c1ccc(-c2cc(C[NH3+])[nH]n2)cc1 ZINC000050478867 525238823 /nfs/dbraw/zinc/23/88/23/525238823.db2.gz WPGSVDCKDNPNHU-UHFFFAOYSA-N 1 0 251.311 0.939 10 0 CCAERO Cc1cccnc1NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000049631736 525545134 /nfs/dbraw/zinc/54/51/34/525545134.db2.gz FFJHISFIXKEEEA-JTQLQIEISA-N 1 0 255.343 0.884 10 0 CCAERO O=C([O-])[C@H](CN1CC[C@@H]([NH+]2CCCC2)C1)[NH2+]C1CC1 ZINC000062969237 526302760 /nfs/dbraw/zinc/30/27/60/526302760.db2.gz GVXIWVMOBLNSGR-OLZOCXBDSA-N 1 0 267.373 0.362 10 0 CCAERO CC(=O)NC1CN(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000189823935 526707698 /nfs/dbraw/zinc/70/76/98/526707698.db2.gz LOEUZPFEGXJMNL-LLVKDONJSA-N 1 0 282.388 0.248 10 0 CCAERO NC(=S)c1ncccc1CN1CC[NH+](C2CC2)CC1 ZINC000061659854 527122743 /nfs/dbraw/zinc/12/27/43/527122743.db2.gz YYEJOUZSZCLVBI-UHFFFAOYSA-N 1 0 276.409 0.996 10 0 CCAERO O=S(=O)(NC1CC1)c1ccccc1O[C@@H]1CC[NH2+]C1 ZINC000051868219 527208309 /nfs/dbraw/zinc/20/83/09/527208309.db2.gz RVXDJUBLRCXXQY-LLVKDONJSA-N 1 0 282.365 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288.413 0.410 10 0 CCAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CC(C)(CO)C2)C1 ZINC000333631744 529089962 /nfs/dbraw/zinc/08/99/62/529089962.db2.gz QZOOMAINJSLWNH-VXGBXAGGSA-N 1 0 269.389 0.739 10 0 CCAERO CC[C@@H](C)[NH2+]Cc1cnn(CC)c1S(N)(=O)=O ZINC000675076134 545321030 /nfs/dbraw/zinc/32/10/30/545321030.db2.gz UNAMPLNRTLZXBF-MRVPVSSYSA-N 1 0 260.363 0.439 10 0 CCAERO [NH3+]C[C@@]12CN(C(=O)CC3CC3)C[C@H]1S(=O)(=O)CCC2 ZINC000675073425 545321165 /nfs/dbraw/zinc/32/11/65/545321165.db2.gz PFEYKZPMYQVQDQ-YPMHNXCESA-N 1 0 286.397 0.151 10 0 CCAERO CC(C)[C@H](C(=O)N1CCc2c(ncn(C)c2=O)C1)[NH+](C)C ZINC000357806644 535323452 /nfs/dbraw/zinc/32/34/52/535323452.db2.gz NHQZKUWTYLPFLV-CYBMUJFWSA-N 1 0 292.383 0.251 10 0 CCAERO CC1(C)CN(C(=O)CCN2C(=O)CCC2=O)CC[C@H]1[NH3+] ZINC000261742646 535333967 /nfs/dbraw/zinc/33/39/67/535333967.db2.gz DLBCTUYFGJTUSM-SNVBAGLBSA-N 1 0 281.356 0.111 10 0 CCAERO CCN1CCN(C(=O)[C@H](C)N2CC[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000261692741 535639701 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283.372 0.819 10 0 CCAERO CC(C)OC[C@@H](O)C[N@@H+]1CCCN(C2CC2)CC1 ZINC000195339388 351910694 /nfs/dbraw/zinc/91/06/94/351910694.db2.gz KXQGLFGTBBLSOS-AWEZNQCLSA-N 1 0 256.390 0.942 10 0 CCAERO O=C(c1ccnc(-n2cncn2)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195336268 351911164 /nfs/dbraw/zinc/91/11/64/351911164.db2.gz RSXNJTOORICYGY-ZDUSSCGKSA-N 1 0 298.350 0.583 10 0 CCAERO CC(C)OC[C@H](O)C[N@@H+]1CCCN(C2CC2)CC1 ZINC000195339381 351911179 /nfs/dbraw/zinc/91/11/79/351911179.db2.gz KXQGLFGTBBLSOS-CQSZACIVSA-N 1 0 256.390 0.942 10 0 CCAERO O=C(CCCCCc1c[nH]nn1)NC1CC[NH2+]CC1 ZINC000217888185 351951745 /nfs/dbraw/zinc/95/17/45/351951745.db2.gz OVTQLDCLKDTFIH-UHFFFAOYSA-N 1 0 265.361 0.776 10 0 CCAERO O[C@@H]1CCN(Cc2nc(C3(O)CC[NH2+]CC3)cs2)C1 ZINC000225465817 352006382 /nfs/dbraw/zinc/00/63/82/352006382.db2.gz HKRDPRBIEVSRIY-SNVBAGLBSA-N 1 0 283.397 0.281 10 0 biogenic,in-vitro CCAERO COc1c(N)ncnc1N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000227372231 352048482 /nfs/dbraw/zinc/04/84/82/352048482.db2.gz RKXMRFCOSSVMBA-DTWKUNHWSA-N 1 0 251.334 0.454 10 0 CCAERO CCCCOC[C@@H](O)C[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000227894673 352061597 /nfs/dbraw/zinc/06/15/97/352061597.db2.gz DRVFCUZCZXYNON-RYUDHWBXSA-N 1 0 279.402 0.331 10 0 CCAERO CC(=O)NCC1CCN(C(=O)[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000226306447 352022378 /nfs/dbraw/zinc/02/23/78/352022378.db2.gz YOJPREYWDMIYCI-FZMZJTMJSA-N 1 0 281.400 0.749 10 0 CCAERO Cc1c(CNC(=O)[C@H]2CCC[NH2+][C@@H]2C)cnn1C ZINC000226426019 352027714 /nfs/dbraw/zinc/02/77/14/352027714.db2.gz MQDJVVUPEWICIH-SKDRFNHKSA-N 1 0 250.346 0.733 10 0 CCAERO CCCCOC[C@@H](O)C[NH2+]CCc1ccn(C)n1 ZINC000227227075 352040257 /nfs/dbraw/zinc/04/02/57/352040257.db2.gz KEVGKDHZJZRKJW-ZDUSSCGKSA-N 1 0 255.362 0.730 10 0 CCAERO C[C@]1(C(=O)NCc2csc(=O)[nH]2)CCCC[NH2+]1 ZINC000231705359 352132922 /nfs/dbraw/zinc/13/29/22/352132922.db2.gz OWWOEJOFZMJQPZ-LLVKDONJSA-N 1 0 255.343 0.585 10 0 CCAERO C[C@@]1(C(=O)NCc2csc(=O)[nH]2)CCCC[NH2+]1 ZINC000231705356 352133248 /nfs/dbraw/zinc/13/32/48/352133248.db2.gz OWWOEJOFZMJQPZ-NSHDSACASA-N 1 0 255.343 0.585 10 0 CCAERO CNc1cnc(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)cn1 ZINC000230105724 352103318 /nfs/dbraw/zinc/10/33/18/352103318.db2.gz LFIDZMGKBGUCGP-SNVBAGLBSA-N 1 0 263.345 0.542 10 0 CCAERO Cc1cnn(CCNC(=O)CC[C@@H]2CC[NH2+]C2)c1 ZINC000235936835 352190264 /nfs/dbraw/zinc/19/02/64/352190264.db2.gz XLHGRSNESYCPJG-GFCCVEGCSA-N 1 0 250.346 0.697 10 0 CCAERO Cc1c(Br)cccc1NC[C@H]([NH3+])C(N)=O ZINC000232248793 352142716 /nfs/dbraw/zinc/14/27/16/352142716.db2.gz KTXBIQOEIXENOF-QMMMGPOBSA-N 1 0 272.146 0.982 10 0 CCAERO Cc1c(Br)cccc1NC[C@@H]([NH3+])C(N)=O ZINC000232248792 352142798 /nfs/dbraw/zinc/14/27/98/352142798.db2.gz KTXBIQOEIXENOF-MRVPVSSYSA-N 1 0 272.146 0.982 10 0 CCAERO CCCN(CCC)S(=O)(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000233029755 352149267 /nfs/dbraw/zinc/14/92/67/352149267.db2.gz UXOMYHGQPWZIPO-MNOVXSKESA-N 1 0 263.407 0.632 10 0 CCAERO CC[NH+]1CCC(CCNC(=O)[C@@H]2COCCN2)CC1 ZINC000236852001 352221856 /nfs/dbraw/zinc/22/18/56/352221856.db2.gz SXJRVJIONUJZGV-ZDUSSCGKSA-N 1 0 269.389 0.213 10 0 CCAERO Cn1ccs/c1=N\C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000237919791 352289245 /nfs/dbraw/zinc/28/92/45/352289245.db2.gz LEDGOMLAYWAFGI-ZQQXWWNKSA-N 1 0 251.355 0.904 10 0 CCAERO [NH3+][C@@H](CNC(=O)[C@@H]1CC(=O)Nc2ccccc21)C1CC1 ZINC000237999388 352293571 /nfs/dbraw/zinc/29/35/71/352293571.db2.gz NNOZXTNQIIRMSW-NEPJUHHUSA-N 1 0 273.336 0.966 10 0 CCAERO C[C@H]1C[N@H+](CCn2ccnc2)C[C@H]1N1CCOCC1 ZINC000245632425 352331683 /nfs/dbraw/zinc/33/16/83/352331683.db2.gz QKKLUARIUKACSK-UONOGXRCSA-N 1 0 264.373 0.536 10 0 CCAERO C[C@H]1C[N@H+](CC2=CCCOC2)C[C@H]1N1CCOCC1 ZINC000245731892 352336033 /nfs/dbraw/zinc/33/60/33/352336033.db2.gz JXVNOFRTBRRSCJ-DZGCQCFKSA-N 1 0 266.385 0.986 10 0 CCAERO CC[C@@H]1CN(Cc2c[nH]nc2C)CC[N@@H+]1C[C@H](C)O ZINC000245755712 352336239 /nfs/dbraw/zinc/33/62/39/352336239.db2.gz OOKIWSGRKCJQFR-SMDDNHRTSA-N 1 0 266.389 0.995 10 0 CCAERO C[C@H](NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)C(=O)N(C)C ZINC000246504622 352370492 /nfs/dbraw/zinc/37/04/92/352370492.db2.gz UJHPUSFPPLLPFX-RYUDHWBXSA-N 1 0 282.388 0.343 10 0 CCAERO CSCCC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246616960 352375590 /nfs/dbraw/zinc/37/55/90/352375590.db2.gz CRLGAIOMKHJMKP-QWRGUYRKSA-N 1 0 260.403 0.653 10 0 CCAERO CN1C(=O)C[C@@H](N2CC[C@@H](Oc3cccnc3)C2)C1=O ZINC000246630313 352376839 /nfs/dbraw/zinc/37/68/39/352376839.db2.gz XBBIUHMMNLQNNG-VXGBXAGGSA-N 1 0 275.308 0.292 10 0 CCAERO C[C@H](C(=O)NCC(F)(F)F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247134114 352400220 /nfs/dbraw/zinc/40/02/20/352400220.db2.gz KNVKQLVABHLEAI-ZJUUUORDSA-N 1 0 279.306 0.833 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NC(=O)COC[C@H]2CCOC2)C1 ZINC000246709748 352380792 /nfs/dbraw/zinc/38/07/92/352380792.db2.gz MUHOWXUWZPMWGD-QWHCGFSZSA-N 1 0 270.373 0.640 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H](C(=O)NC)C2)C1 ZINC000246795131 352382962 /nfs/dbraw/zinc/38/29/62/352382962.db2.gz SCMSESUBGHKLSG-CHWSQXEVSA-N 1 0 296.415 0.638 10 0 CCAERO C[C@H](O)C[N@@H+]1CCN(CCn2cccn2)C[C@@H]1C ZINC000247038657 352394866 /nfs/dbraw/zinc/39/48/66/352394866.db2.gz DPIBKINUFMRHPA-STQMWFEESA-N 1 0 252.362 0.270 10 0 CCAERO CCOCC[N@@H+]1CCN([C@H](C)C(=O)OC)C[C@H]1CC ZINC000247061101 352396428 /nfs/dbraw/zinc/39/64/28/352396428.db2.gz FWRDTHMJZYMCLM-CHWSQXEVSA-N 1 0 272.389 0.981 10 0 CCAERO CCNC(=O)CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247348016 352411100 /nfs/dbraw/zinc/41/11/00/352411100.db2.gz NVFQGROSEPWADK-GHMZBOCLSA-N 1 0 270.377 0.150 10 0 CCAERO CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CNC(=O)C2)C1 ZINC000247456783 352415765 /nfs/dbraw/zinc/41/57/65/352415765.db2.gz UAJWNEIIWQPHEE-NEPJUHHUSA-N 1 0 267.373 0.217 10 0 CCAERO O[C@@H](Cn1cccn1)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248202469 352434057 /nfs/dbraw/zinc/43/40/57/352434057.db2.gz ZCMCWOXPKCRFBH-RRFJBIMHSA-N 1 0 279.384 0.871 10 0 CCAERO CCCCNC(=O)[C@@H](C)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247147926 352401921 /nfs/dbraw/zinc/40/19/21/352401921.db2.gz LIQBOASOMDOIDI-OLZOCXBDSA-N 1 0 271.405 0.554 10 0 CCAERO C[C@H](O)C[N@@H+]1CCN(Cc2cn3cccnc3n2)C[C@H]1C ZINC000247190346 352403877 /nfs/dbraw/zinc/40/38/77/352403877.db2.gz OCAIWECKKGSCOS-OLZOCXBDSA-N 1 0 289.383 0.616 10 0 CCAERO CCCCNC(=O)CN1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000247212856 352404233 /nfs/dbraw/zinc/40/42/33/352404233.db2.gz PWOLXNZUNYOSFJ-AWEZNQCLSA-N 1 0 285.432 0.945 10 0 CCAERO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@H]1CN(C)CCO1 ZINC000247252534 352407241 /nfs/dbraw/zinc/40/72/41/352407241.db2.gz PQTYRRXQBPQURW-KGLIPLIRSA-N 1 0 298.431 0.300 10 0 CCAERO CC(C)CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248596316 352447907 /nfs/dbraw/zinc/44/79/07/352447907.db2.gz IFLOAHQTPNPUAG-RYUDHWBXSA-N 1 0 257.378 0.739 10 0 CCAERO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@H]1C[C@H]1C ZINC000248705149 352454474 /nfs/dbraw/zinc/45/44/74/352454474.db2.gz LTSJMHROGBOQMM-UPJWGTAASA-N 1 0 268.405 0.720 10 0 CCAERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCO ZINC000248704505 352454850 /nfs/dbraw/zinc/45/48/50/352454850.db2.gz AQHUAGKQAJEQQM-TZMCWYRMSA-N 1 0 277.368 0.798 10 0 CCAERO C[C@H](C(=O)NCc1ccccc1)[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000249372744 352488634 /nfs/dbraw/zinc/48/86/34/352488634.db2.gz XDTCTYDZOKZDNZ-BNOWGMLFSA-N 1 0 278.352 0.119 10 0 CCAERO [NH3+][C@@H]1[C@@H]2CCO[C@@H]2[C@H]1N1C(=O)c2ccccc2C1=O ZINC000250867884 352508309 /nfs/dbraw/zinc/50/83/09/352508309.db2.gz XEURXZYNCFWLOW-USZNOCQGSA-N 1 0 258.277 0.397 10 0 CCAERO [NH3+][C@H]1CC[C@H](NC2=NS(=O)(=O)c3ccccc32)CC1 ZINC000257353035 352552788 /nfs/dbraw/zinc/55/27/88/352552788.db2.gz OYOXDWZZXOZHRD-MGCOHNPYSA-N 1 0 279.365 0.995 10 0 CCAERO Cc1cc(C)nc(N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)n1 ZINC000266378784 352699060 /nfs/dbraw/zinc/69/90/60/352699060.db2.gz MSAAGGYWEHAOEM-OLZOCXBDSA-N 1 0 264.373 0.985 10 0 CCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCC(=O)N1CCCCC1 ZINC000135362653 187823457 /nfs/dbraw/zinc/82/34/57/187823457.db2.gz KPKXQNSWZZOZKO-CHWSQXEVSA-N 1 0 281.400 0.880 10 0 CCAERO COC(=O)Cc1csc(NC(=O)[C@H]2CCC[NH2+]C2)n1 ZINC000604496570 363199649 /nfs/dbraw/zinc/19/96/49/363199649.db2.gz COXUTKDXCYLOTD-QMMMGPOBSA-N 1 0 283.353 0.797 10 0 CCAERO CCc1ccc([C@H](C)[NH2+]CC(=O)N2CCNC(=O)C2)cc1 ZINC000152956506 188056337 /nfs/dbraw/zinc/05/63/37/188056337.db2.gz CJSMQHLHZGXSMW-LBPRGKRZSA-N 1 0 289.379 0.858 10 0 CCAERO C[NH+]1CCC(Nc2cc(N3CCC[C@@H]3CO)ncn2)CC1 ZINC000153031974 188060290 /nfs/dbraw/zinc/06/02/90/188060290.db2.gz MJNTVXMMRXJJRB-CYBMUJFWSA-N 1 0 291.399 0.944 10 0 CCAERO CCOCC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000177447166 137686896 /nfs/dbraw/zinc/68/68/96/137686896.db2.gz BBKGBQNXOGAKNK-LBPRGKRZSA-N 1 0 272.389 0.574 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cnccc1C(F)(F)F ZINC000655460733 412580261 /nfs/dbraw/zinc/58/02/61/412580261.db2.gz XQDOJNROUVSJBO-GMSGAONNSA-N 1 0 289.257 0.411 10 0 CCAERO CCOc1cc(N2CCO[C@H]3CC[N@H+](C)C[C@H]32)ncn1 ZINC000284462151 353555640 /nfs/dbraw/zinc/55/56/40/353555640.db2.gz FCHXHEAVMCZWMS-NEPJUHHUSA-N 1 0 278.356 0.785 10 0 CCAERO CN(CCOCC[NH3+])c1nc(C(F)(F)F)ns1 ZINC000302315676 354081202 /nfs/dbraw/zinc/08/12/02/354081202.db2.gz GKLOSGPQLGGQTH-UHFFFAOYSA-N 1 0 270.280 0.968 10 0 CCAERO COC(=O)c1cncnc1N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000302422603 354081725 /nfs/dbraw/zinc/08/17/25/354081725.db2.gz SZHLFWCQZIIMNN-KOLCDFICSA-N 1 0 264.329 0.650 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cnc(N)cn1 ZINC000300239668 354060054 /nfs/dbraw/zinc/06/00/54/354060054.db2.gz ASWKUKOACWLSCZ-UWVGGRQHSA-N 1 0 261.329 0.368 10 0 CCAERO NC(=O)[C@@]1(F)C[N@H+](Cc2ccccc2)CC12COC2 ZINC000306291752 354174395 /nfs/dbraw/zinc/17/43/95/354174395.db2.gz UDPIMJPRZYUPMZ-AWEZNQCLSA-N 1 0 264.300 0.712 10 0 CCAERO c1cn(C2CN(c3cc(NCC4CC4)ncn3)C2)nn1 ZINC000328682369 202007833 /nfs/dbraw/zinc/00/78/33/202007833.db2.gz CYXQMGDYCKNCMH-UHFFFAOYSA-N 1 0 271.328 0.951 10 0 CCAERO Cc1cc(CS(=O)(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)no1 ZINC000311869336 354204363 /nfs/dbraw/zinc/20/43/63/354204363.db2.gz WOWUASZROYIHKN-MVWJERBFSA-N 1 0 285.369 0.482 10 0 CCAERO C[N@H+](CC1CC1)C[C@H]1CN(C(=O)c2cnns2)CCO1 ZINC000328636502 354243652 /nfs/dbraw/zinc/24/36/52/354243652.db2.gz OBCBHKHULWSFGS-NSHDSACASA-N 1 0 296.396 0.721 10 0 CCAERO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)[C@@H]1C[C@@]12CCOC2 ZINC000329227048 354254560 /nfs/dbraw/zinc/25/45/60/354254560.db2.gz HWHWHFQKLUSGSV-QVHKTLOISA-N 1 0 282.384 0.327 10 0 CCAERO O=C1CCCN1CCN(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000328603713 354235295 /nfs/dbraw/zinc/23/52/95/354235295.db2.gz GYPALIQQUIXMTK-GFCCVEGCSA-N 1 0 251.374 0.825 10 0 CCAERO C[N@H+](CC1CC1)C[C@H]1CN(C(=O)[C@H]2CCCOC2)CCO1 ZINC000328623665 354239827 /nfs/dbraw/zinc/23/98/27/354239827.db2.gz CBEFDOKFDPOKRS-GJZGRUSLSA-N 1 0 296.411 0.982 10 0 CCAERO CCn1cc([C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CCO2)cn1 ZINC000330072215 354290971 /nfs/dbraw/zinc/29/09/71/354290971.db2.gz JLXQRHLZVZYGPS-UONOGXRCSA-N 1 0 292.383 0.897 10 0 CCAERO COCC1(CNC(=O)[C@]2(COC)CCC[NH2+]2)CC1 ZINC000655490996 412594359 /nfs/dbraw/zinc/59/43/59/412594359.db2.gz YLOKSWNKAYXOAT-CYBMUJFWSA-N 1 0 256.346 0.298 10 0 CCAERO CNC(=O)[C@H]1CCCN(C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333654654 354770587 /nfs/dbraw/zinc/77/05/87/354770587.db2.gz KJUCOIUQZKUGOK-RYUDHWBXSA-N 1 0 282.388 0.296 10 0 CCAERO CN(C(=O)Nc1ccc2c(c1)OCCO2)[C@H]1C[NH2+]C[C@@H]1O ZINC000333943770 354819277 /nfs/dbraw/zinc/81/92/77/354819277.db2.gz RIWDSECNNKSQLS-QWRGUYRKSA-N 1 0 293.323 0.254 10 0 CCAERO C[C@H](O)C[C@@H]1COCCN1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333792651 354794941 /nfs/dbraw/zinc/79/49/41/354794941.db2.gz GKKFKGRPXGWUST-RWMBFGLXSA-N 1 0 285.388 0.310 10 0 CCAERO C[C@H]1CN(C(=O)C(=O)N(C)C2CCCCC2)C[C@@H]1[NH3+] ZINC000335042741 354946509 /nfs/dbraw/zinc/94/65/09/354946509.db2.gz VCKSTEFBRAPECV-JQWIXIFHSA-N 1 0 267.373 0.583 10 0 CCAERO Cc1cc(Cl)cc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000335162518 354976888 /nfs/dbraw/zinc/97/68/88/354976888.db2.gz VGJCFJYTVWPLOP-PWSUYJOCSA-N 1 0 268.744 0.959 10 0 CCAERO Cc1cc(Cl)ccc1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000335162127 354977062 /nfs/dbraw/zinc/97/70/62/354977062.db2.gz OWJZCEHWLLERKK-CABZTGNLSA-N 1 0 268.744 0.959 10 0 CCAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CN1CCCC1=O ZINC000335461286 354997829 /nfs/dbraw/zinc/99/78/29/354997829.db2.gz FTCNWYFAKMJNAS-CHWSQXEVSA-N 1 0 279.384 0.694 10 0 CCAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCC(O)CC2)C1 ZINC000336154349 355104376 /nfs/dbraw/zinc/10/43/76/355104376.db2.gz CQMFOCYEOFKVQA-GHMZBOCLSA-N 1 0 255.362 0.635 10 0 CCAERO CO[C@H]1C[C@H](CO)N(C(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000345461682 355832130 /nfs/dbraw/zinc/83/21/30/355832130.db2.gz BOGRPMKBSFCHMC-KGLIPLIRSA-N 1 0 282.384 0.469 10 0 CCAERO CO[C@H]1C[C@H](CN(C)C(=O)Cc2cnn(C)c2C)[N@H+](C)C1 ZINC000353767943 356291199 /nfs/dbraw/zinc/29/11/99/356291199.db2.gz NISKIYWRXWYTRS-KGLIPLIRSA-N 1 0 294.399 0.449 10 0 CCAERO CC[C@@H](C(=O)N[C@@H]1CCc2nccn2C1)[NH+](C)C ZINC000362801913 138075006 /nfs/dbraw/zinc/07/50/06/138075006.db2.gz JJPYVGDIQXRJFV-MNOVXSKESA-N 1 0 250.346 0.654 10 0 CCAERO C[C@H]1C[C@H](C(=O)N(C)CC[NH+]2CCCC2)CC(=O)N1 ZINC000408200857 291100493 /nfs/dbraw/zinc/10/04/93/291100493.db2.gz CINPUWOHUHDULE-RYUDHWBXSA-N 1 0 267.373 0.455 10 0 CCAERO O=S(=O)(CC[NH+]1CCCC1)N1C[C@H]2CCC[C@@H]21 ZINC000336343055 213191107 /nfs/dbraw/zinc/19/11/07/213191107.db2.gz AFZXNOPBCRCLKD-NEPJUHHUSA-N 1 0 258.387 0.896 10 0 CCAERO CS[C@@H]1CN(C(=O)[C@H]2CCCCC(=O)N2)C[C@H]1[NH+](C)C ZINC000363923375 357071548 /nfs/dbraw/zinc/07/15/48/357071548.db2.gz GHRHMJAUUGRXIJ-IJLUTSLNSA-N 1 0 299.440 0.549 10 0 CCAERO COC(=O)C(C)(C)CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000367997409 357304586 /nfs/dbraw/zinc/30/45/86/357304586.db2.gz LLQKICLTHNMIOT-NXEZZACHSA-N 1 0 256.346 0.690 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cncc(N)c1 ZINC000381792909 357711303 /nfs/dbraw/zinc/71/13/03/357711303.db2.gz CNKKBHYIOUHMQH-NSHDSACASA-N 1 0 284.385 0.426 10 0 CCAERO Cc1ccc(O)c(C[NH2+][C@H]2CCCN(CCO)C2)n1 ZINC000384639424 357721580 /nfs/dbraw/zinc/72/15/80/357721580.db2.gz XAVCNGAFZMTFHA-LBPRGKRZSA-N 1 0 265.357 0.642 10 0 CCAERO C[C@H]1CCN(S(=O)(=O)N2CCCC2)[C@@H](C[NH3+])C1 ZINC000235623461 290586431 /nfs/dbraw/zinc/58/64/31/290586431.db2.gz HDSLJQAPAZCGCQ-WDEREUQCSA-N 1 0 261.391 0.386 10 0 CCAERO COc1cc(OC)nc(N[C@@H]2C[NH2+]CC[C@H]2C)n1 ZINC000389695009 357737150 /nfs/dbraw/zinc/73/71/50/357737150.db2.gz CHEUHCNKZAHPFM-RKDXNWHRSA-N 1 0 252.318 0.326 10 0 CCAERO COC(=O)C(C)(C)CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000394167184 357754881 /nfs/dbraw/zinc/75/48/81/357754881.db2.gz ZVEKXLCHMZCNSR-UWVGGRQHSA-N 1 0 256.346 0.677 10 0 CCAERO O=C(C[C@@H]1C=CCC1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000403998049 357812432 /nfs/dbraw/zinc/81/24/32/357812432.db2.gz LWTLOEFPNNDIIK-AGIUHOORSA-N 1 0 250.342 0.932 10 0 CCAERO C[C@@]1(C(=O)NCCN2CCCC2=O)CCCC[NH2+]1 ZINC000405444075 357827058 /nfs/dbraw/zinc/82/70/58/357827058.db2.gz RIMJKAASPDXNBD-ZDUSSCGKSA-N 1 0 253.346 0.257 10 0 CCAERO Cc1noc(CN2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)n1 ZINC000407948039 357829708 /nfs/dbraw/zinc/82/97/08/357829708.db2.gz FGRRXOAOJHVFTJ-ZJUUUORDSA-N 1 0 254.334 0.265 10 0 CCAERO CC(C)(C)NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000407961440 357840180 /nfs/dbraw/zinc/84/01/80/357840180.db2.gz GFMJRNLSWPRALT-YNEHKIRRSA-N 1 0 284.400 0.763 10 0 CCAERO C[C@@H](C(=O)NC(=O)NC1CC1)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000408020134 357870449 /nfs/dbraw/zinc/87/04/49/357870449.db2.gz CLUCPXCZIJGIGA-SCVCMEIPSA-N 1 0 282.388 0.245 10 0 CCAERO CCn1ccnc1CN1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000408035655 357877803 /nfs/dbraw/zinc/87/78/03/357877803.db2.gz NFIQTCAGZRNLLH-MNOVXSKESA-N 1 0 263.345 0.501 10 0 CCAERO CO[C@H]1C[C@@H](CO)[N@@H+]([C@H]2CCCN(C(C)C)C2=O)C1 ZINC000408036305 357879308 /nfs/dbraw/zinc/87/93/08/357879308.db2.gz SEJFIXNOIYFLTQ-AVGNSLFASA-N 1 0 270.373 0.467 10 0 CCAERO CC[C@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000408045967 357886020 /nfs/dbraw/zinc/88/60/20/357886020.db2.gz AEMLOGBICJVCCM-FRRDWIJNSA-N 1 0 281.400 0.831 10 0 CCAERO CO[C@H]1C[C@@H](CN(C)C(=O)C2CCC(O)CC2)[N@H+](C)C1 ZINC000408047528 357887664 /nfs/dbraw/zinc/88/76/64/357887664.db2.gz HDUMLZBPYHJABN-YIOUJQMASA-N 1 0 284.400 0.715 10 0 CCAERO C[C@@H]1C[C@H](C(=O)NCC[N@@H+]2CCCC[C@@H]2C)CC(=O)N1 ZINC000408162764 357948348 /nfs/dbraw/zinc/94/83/48/357948348.db2.gz ZEMYYTWMFLYKSK-AGIUHOORSA-N 1 0 281.400 0.892 10 0 CCAERO CN(C)c1nc(C(=O)N2CCC([NH+](C)C)CC2)cc(=O)[nH]1 ZINC000408242377 357989144 /nfs/dbraw/zinc/98/91/44/357989144.db2.gz TUVAUHWKBBXPCH-UHFFFAOYSA-N 1 0 293.371 0.414 10 0 CCAERO CC[C@@H](CO)N1CCN(C(=O)N2CCC(OC)CC2)CC1 ZINC000408282855 358008512 /nfs/dbraw/zinc/00/85/12/358008512.db2.gz BRNCVURUWCKWHY-ZDUSSCGKSA-N 1 0 299.415 0.606 10 0 CCAERO CC(=O)N1CC[C@H](NC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000408290012 358012622 /nfs/dbraw/zinc/01/26/22/358012622.db2.gz HFLCJSPORNKXDG-DRZSPHRISA-N 1 0 294.399 0.532 10 0 CCAERO C[C@H]1CCN(Cc2ncnn2CC(F)F)C[C@H]1O ZINC000408360651 358051921 /nfs/dbraw/zinc/05/19/21/358051921.db2.gz XAITZYIJDVCKFN-DTWKUNHWSA-N 1 0 260.288 0.746 10 0 CCAERO C[C@@H]1CCC[N@H+](CCNC(=O)N2CCO[C@@H](CO)C2)C1 ZINC000408380286 358064306 /nfs/dbraw/zinc/06/43/06/358064306.db2.gz XAAQNPJWQBSWMG-CHWSQXEVSA-N 1 0 285.388 0.121 10 0 CCAERO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000408407494 358078054 /nfs/dbraw/zinc/07/80/54/358078054.db2.gz XJTAWELSVNFOGF-NDBYEHHHSA-N 1 0 279.384 0.583 10 0 CCAERO CCO[C@@]1(C(F)(F)F)CCN(C(=O)[C@@H](C)[NH3+])C1 ZINC000409425315 358112267 /nfs/dbraw/zinc/11/22/67/358112267.db2.gz AHMDCDPRFYWDLG-APPZFPTMSA-N 1 0 254.252 0.904 10 0 CCAERO CO[C@H]1C[C@@H](CN(C)C(=O)C2CC(C)(O)C2)[N@H+](C)C1 ZINC000408461198 358106687 /nfs/dbraw/zinc/10/66/87/358106687.db2.gz UKDMELPWOZKYLQ-ATJQQHLPSA-N 1 0 270.373 0.325 10 0 CCAERO C[NH2+]CC(=O)N1CC[C@](COC)(C(F)(F)F)C1 ZINC000409433756 358112651 /nfs/dbraw/zinc/11/26/51/358112651.db2.gz NJIGWKPROBJFFJ-VIFPVBQESA-N 1 0 254.252 0.633 10 0 CCAERO COC[C@@H]1CN(C(=O)[C@@H](C)[NH3+])C[C@H]1C(F)(F)F ZINC000409433754 358112760 /nfs/dbraw/zinc/11/27/60/358112760.db2.gz NITAJJMGALTZCK-GJMOJQLCSA-N 1 0 254.252 0.617 10 0 CCAERO NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091546738 283332628 /nfs/dbraw/zinc/33/26/28/283332628.db2.gz COZMZMDSYKUKKA-BNOWGMLFSA-N 1 0 287.363 0.553 10 0 CCAERO C[C@H]1C[C@H](NC(=O)NCC(=O)N2CCCC2)C[N@@H+]1C1CC1 ZINC000119035320 291138565 /nfs/dbraw/zinc/13/85/65/291138565.db2.gz VBEISUKXAITZRB-RYUDHWBXSA-N 1 0 294.399 0.533 10 0 CCAERO NC(=O)[C@H]1CCCCN1C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000037799443 283346054 /nfs/dbraw/zinc/34/60/54/283346054.db2.gz PTTRHEHJNHDKKJ-QWHCGFSZSA-N 1 0 275.352 0.943 10 0 CCAERO CC[C@@H]1CN(C(=O)C[C@@H]2CCOC2)CC[N@@H+]1C[C@@H](C)O ZINC000329222737 202240474 /nfs/dbraw/zinc/24/04/74/202240474.db2.gz WWVABFZBLNCCBH-HZSPNIEDSA-N 1 0 284.400 0.717 10 0 CCAERO Cn1nncc1-c1cnc(N)c(OCC2CC[NH2+]CC2)c1 ZINC000584628261 359183351 /nfs/dbraw/zinc/18/33/51/359183351.db2.gz DLCRWASXWMPQBK-UHFFFAOYSA-N 1 0 288.355 0.838 10 0 CCAERO CCSCC[C@@H](C)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000591615322 359612756 /nfs/dbraw/zinc/61/27/56/359612756.db2.gz YRQXCTXEZYSWHC-GHMZBOCLSA-N 1 0 260.403 0.870 10 0 CCAERO C[N@H+](CCc1nnnn1-c1ccccc1)[C@@H]1CCOC1 ZINC000329286363 202267709 /nfs/dbraw/zinc/26/77/09/202267709.db2.gz MCILDQAJJNMINW-CYBMUJFWSA-N 1 0 273.340 0.926 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)N2CC[C@@H](C)C2)C1 ZINC000329364644 202302213 /nfs/dbraw/zinc/30/22/13/202302213.db2.gz JOYYJPASVZMAIB-VXGBXAGGSA-N 1 0 275.418 0.647 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1c(C)c(C)n[nH]c1=O ZINC000176973921 189017895 /nfs/dbraw/zinc/01/78/95/189017895.db2.gz NQYYHAZDKIJZHX-GFCCVEGCSA-N 1 0 292.383 0.943 10 0 CCAERO C[C@H]1OCC[C@H]1NC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000333535783 291229163 /nfs/dbraw/zinc/22/91/63/291229163.db2.gz IORRJQWONAYHKQ-IRCOFANPSA-N 1 0 255.362 0.790 10 0 CCAERO CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178312088 189105595 /nfs/dbraw/zinc/10/55/95/189105595.db2.gz ACCZBHKJIPYXEF-LBPRGKRZSA-N 1 0 293.371 0.502 10 0 CCAERO COC(=O)c1cc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)oc1C ZINC000597214290 361032747 /nfs/dbraw/zinc/03/27/47/361032747.db2.gz VBHKSVFCGAWLJD-JTQLQIEISA-N 1 0 280.324 0.943 10 0 CCAERO Cc1cc(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cc(=O)[nH]1 ZINC000180470624 189257224 /nfs/dbraw/zinc/25/72/24/189257224.db2.gz IJSGFAZKPHRLPG-VXGBXAGGSA-N 1 0 293.367 0.623 10 0 CCAERO O=c1[nH]c(NC[C@@H]2C[NH+]3CCN2CC3)nc2ccccc21 ZINC000301763248 201182981 /nfs/dbraw/zinc/18/29/81/201182981.db2.gz GWRFGBNNJGRMKQ-LLVKDONJSA-N 1 0 285.351 0.747 10 0 CCAERO C[C@H]1CN(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C[NH3+] ZINC000631843459 370710897 /nfs/dbraw/zinc/71/08/97/370710897.db2.gz OGPSMOBPQDKFAB-RVMXOQNASA-N 1 0 269.389 0.149 10 0 CCAERO CC(C)S(=O)(=O)CCCN1CCC([NH2+]CCO)CC1 ZINC000631864797 370724851 /nfs/dbraw/zinc/72/48/51/370724851.db2.gz WNZWYYJDXOZPTD-UHFFFAOYSA-N 1 0 292.445 0.246 10 0 CCAERO CCn1cnc(S(=O)(=O)N2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000631968350 370796613 /nfs/dbraw/zinc/79/66/13/370796613.db2.gz UFNUIGCFZPCBNH-VHSXEESVSA-N 1 0 272.374 0.118 10 0 CCAERO OCC[N@@H+]1CCOC[C@@H](c2cccc(CO)c2)C1 ZINC000616660548 365414412 /nfs/dbraw/zinc/41/44/12/365414412.db2.gz MKKDSRDUBLPNDZ-AWEZNQCLSA-N 1 0 251.326 0.587 10 0 CCAERO C[C@]1(C(=O)N2CC[C@@H](N3CCOCC3)C2)CCCC[NH2+]1 ZINC000136203146 291354173 /nfs/dbraw/zinc/35/41/73/291354173.db2.gz GCYCGCRKZJWLIJ-UKRRQHHQSA-N 1 0 281.400 0.452 10 0 CCAERO CC(=O)N1CC[NH2+][C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000616635094 365393084 /nfs/dbraw/zinc/39/30/84/365393084.db2.gz LVZTWAJWECUBCM-LLVKDONJSA-N 1 0 271.361 0.722 10 0 CCAERO CC(C)(C)OC(=O)NCC[C@H]1COCCN1CC[NH3+] ZINC000616638999 365398942 /nfs/dbraw/zinc/39/89/42/365398942.db2.gz HAQYCBDKNTXPOS-NSHDSACASA-N 1 0 273.377 0.561 10 0 CCAERO Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000616590761 365375913 /nfs/dbraw/zinc/37/59/13/365375913.db2.gz KGDDKJQUWQMILK-WCFLWFBJSA-N 1 0 266.366 0.963 10 0 CCAERO NS(=O)(=O)N1CC[NH2+][C@@H](c2ccnc3ccccc32)C1 ZINC000616655146 365411161 /nfs/dbraw/zinc/41/11/61/365411161.db2.gz VNEXVOUSGHREHW-CYBMUJFWSA-N 1 0 292.364 0.385 10 0 CCAERO [NH3+]CCN1CCCO[C@@H](c2ccc(CO)cc2)C1 ZINC000616597179 365378815 /nfs/dbraw/zinc/37/88/15/365378815.db2.gz AVZHKAZVNMYINA-CQSZACIVSA-N 1 0 250.342 0.901 10 0 CCAERO OCCc1ccccc1[C@@H]1COCC[N@@H+](CCO)C1 ZINC000616661702 365413737 /nfs/dbraw/zinc/41/37/37/365413737.db2.gz VUDBWWNKEBPREE-AWEZNQCLSA-N 1 0 265.353 0.630 10 0 CCAERO CCNC(=O)N1CCN(C(=O)[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000335532860 212228113 /nfs/dbraw/zinc/22/81/13/212228113.db2.gz GBBSSSRVQQWBJI-NEPJUHHUSA-N 1 0 282.388 0.248 10 0 CCAERO COc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2O)cc1OC ZINC000623763997 367648395 /nfs/dbraw/zinc/64/83/95/367648395.db2.gz ZBFLWNCYYKGYCY-NEPJUHHUSA-N 1 0 267.325 0.943 10 0 CCAERO COc1cc(C[NH2+][C@H]2CCOC[C@@H]2O)cc(OC)c1 ZINC000623765942 367651504 /nfs/dbraw/zinc/65/15/04/367651504.db2.gz ZLULADOGWHQQIH-KBPBESRZSA-N 1 0 267.325 0.943 10 0 CCAERO CS(=O)(=O)c1ccc(C[NH2+][C@H]2CCOC[C@@H]2O)cc1 ZINC000623765248 367651515 /nfs/dbraw/zinc/65/15/15/367651515.db2.gz PNYGUMBYFGLBLT-STQMWFEESA-N 1 0 285.365 0.330 10 0 CCAERO CN1CCOC[C@@H]1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000624173560 367774823 /nfs/dbraw/zinc/77/48/23/367774823.db2.gz IETDWCKWFKDQIC-LOWDOPEQSA-N 1 0 254.374 0.720 10 0 CCAERO C[C@@H](NC(N)=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107667768 296110607 /nfs/dbraw/zinc/11/06/07/296110607.db2.gz ZUONHKYNDKVBBE-NEPJUHHUSA-N 1 0 282.388 0.520 10 0 CCAERO CN1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH2+]C2)C1=O ZINC000566475349 291415390 /nfs/dbraw/zinc/41/53/90/291415390.db2.gz YWKUSOCNEBQDDG-WDEREUQCSA-N 1 0 253.346 0.113 10 0 CCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCOC1CCOCC1 ZINC000625394349 368179040 /nfs/dbraw/zinc/17/90/40/368179040.db2.gz SKEQXEOXCPKYPE-JQWIXIFHSA-N 1 0 256.346 0.439 10 0 CCAERO 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375425741 /nfs/dbraw/zinc/42/57/41/375425741.db2.gz FGAABMXEGJAEJQ-UWVGGRQHSA-N 1 0 255.362 0.202 10 0 CCAERO C[C@@H]1CN(C(=O)c2n[nH]c3c2CCCC3)C[C@@H]1C[NH3+] ZINC000638887055 375426337 /nfs/dbraw/zinc/42/63/37/375426337.db2.gz CGCVSLAFDGKZGZ-ZJUUUORDSA-N 1 0 262.357 0.955 10 0 CCAERO C[C@H]1CN(C(=O)c2sccc2-n2cnnn2)C[C@@H]1C[NH3+] ZINC000638890203 375429399 /nfs/dbraw/zinc/42/93/99/375429399.db2.gz LZUSSRJXNGIBQT-IUCAKERBSA-N 1 0 292.368 0.391 10 0 CCAERO O[C@@H]1C[N@H+](CCOc2ccccc2)C[C@H]1n1ccnn1 ZINC000639741015 375966252 /nfs/dbraw/zinc/96/62/52/375966252.db2.gz KFDCTIKUQLSFJY-ZIAGYGMSSA-N 1 0 274.324 0.575 10 0 CCAERO Cc1csc(=O)n1CCn1cc(C(C)(C)[NH3+])nn1 ZINC000640862754 376577726 /nfs/dbraw/zinc/57/77/26/376577726.db2.gz XXBLEGWUTBLZGP-UHFFFAOYSA-N 1 0 267.358 0.704 10 0 CCAERO CCc1nnc(Cn2cc(C(C)(C)[NH3+])nn2)s1 ZINC000641157171 376820314 /nfs/dbraw/zinc/82/03/14/376820314.db2.gz MXXWRQBEMUWYHK-UHFFFAOYSA-N 1 0 252.347 0.934 10 0 CCAERO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCC[C@H]2CCCO)C1 ZINC000338235177 249004225 /nfs/dbraw/zinc/00/42/25/249004225.db2.gz IYYAMRNZHZNWII-STQMWFEESA-N 1 0 290.429 0.505 10 0 CCAERO CCOc1nccnc1N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000643017901 377689908 /nfs/dbraw/zinc/68/99/08/377689908.db2.gz SSVYJEHCAITNDB-VHSXEESVSA-N 1 0 252.318 0.428 10 0 CCAERO CCC[C@@H](C(=O)N(C)C[C@@H](C)C(=O)NC)[NH+](C)C ZINC000130470745 284786580 /nfs/dbraw/zinc/78/65/80/284786580.db2.gz MUYCTTHTNISORY-MNOVXSKESA-N 1 0 257.378 0.557 10 0 CCAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)NCC1CCC1 ZINC000192805849 284920716 /nfs/dbraw/zinc/92/07/16/284920716.db2.gz UBXHHAIKECFUMA-CYBMUJFWSA-N 1 0 269.389 0.933 10 0 CCAERO CC[C@@H]1C[C@@H]([NH2+]C[C@H](O)CN2CCCCC2)CO1 ZINC000657325030 412961760 /nfs/dbraw/zinc/96/17/60/412961760.db2.gz FMTJYHXPOZKWAY-HZSPNIEDSA-N 1 0 256.390 0.990 10 0 CCAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000245974958 284998014 /nfs/dbraw/zinc/99/80/14/284998014.db2.gz ONDHZDNZPXHGBB-MCIONIFRSA-N 1 0 295.427 0.995 10 0 CCAERO CC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)CN2CCOCC2)C1 ZINC000246155188 285006902 /nfs/dbraw/zinc/00/69/02/285006902.db2.gz TYFKSOQQXMIGJB-TZMCWYRMSA-N 1 0 269.389 0.308 10 0 CCAERO C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)CN2CCCC2=O)CCN1C ZINC000246318035 285014981 /nfs/dbraw/zinc/01/49/81/285014981.db2.gz AGLWLZHKRIPPOP-HZSPNIEDSA-N 1 0 283.416 0.384 10 0 CCAERO CC[C@H]1CN(C(=O)N[C@H]2CCOC2)CC[N@@H+]1CCOC ZINC000246452560 285020085 /nfs/dbraw/zinc/02/00/85/285020085.db2.gz CVPIYHXVBUIBBT-STQMWFEESA-N 1 0 285.388 0.528 10 0 CCAERO COC(=O)NC(C)(C)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000246791465 285033026 /nfs/dbraw/zinc/03/30/26/285033026.db2.gz BMTXVPDXMRAOFF-QWRGUYRKSA-N 1 0 283.372 0.816 10 0 CCAERO COC(=O)NCC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000247487041 285052991 /nfs/dbraw/zinc/05/29/91/285052991.db2.gz WQJZSCBXTKITQG-VHSXEESVSA-N 1 0 257.334 0.187 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCNC[C@](C)(F)C2)C1 ZINC000335285411 208101226 /nfs/dbraw/zinc/10/12/26/208101226.db2.gz NXKZBRFKTYVHRT-OCCSQVGLSA-N 1 0 286.395 0.814 10 0 CCAERO CCCCOC[C@H](O)C[NH2+][C@H]1CCCC[C@H]1C(N)=O ZINC000248653315 285073337 /nfs/dbraw/zinc/07/33/37/285073337.db2.gz OPCUCQABZGSYLY-UPJWGTAASA-N 1 0 272.389 0.798 10 0 CCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2cnns2)C1 ZINC000248839405 285084060 /nfs/dbraw/zinc/08/40/60/285084060.db2.gz OYNSNLREQUAYEF-DTWKUNHWSA-N 1 0 297.384 0.322 10 0 CCAERO C[C@H](C(F)(F)F)S(=O)(=O)N1CC[C@H](C[NH3+])C1 ZINC000335371229 208298922 /nfs/dbraw/zinc/29/89/22/208298922.db2.gz GNLGICCJYYTNOX-RNFRBKRXSA-N 1 0 260.281 0.548 10 0 CCAERO CC1(C)CN(C(=O)NC2C[NH2+]C2)[C@@H]1[C@@H]1CCCO1 ZINC000335397326 208366501 /nfs/dbraw/zinc/36/65/01/208366501.db2.gz UBAJKAQYABSFPM-WDEREUQCSA-N 1 0 253.346 0.557 10 0 CCAERO CC(C)[N@H+](C)CCNS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000249078582 285100413 /nfs/dbraw/zinc/10/04/13/285100413.db2.gz PAEPNPKVRANZCQ-NWDGAFQWSA-N 1 0 293.433 0.270 10 0 CCAERO 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CC(C)CN(CC(C)C)C(=O)Cn1cc(C[NH3+])nn1 ZINC000050224789 411677965 /nfs/dbraw/zinc/67/79/65/411677965.db2.gz CUNZMJJDUKIJLS-UHFFFAOYSA-N 1 0 267.377 0.877 10 0 CCAERO CCCc1nc(Cn2cc(C(C)(C)[NH3+])nn2)no1 ZINC000070118111 411690475 /nfs/dbraw/zinc/69/04/75/411690475.db2.gz WYNRZBHQVBKCGZ-UHFFFAOYSA-N 1 0 250.306 0.856 10 0 CCAERO [NH3+]Cc1cccc(Nc2nc3[nH]cnc3c(=O)[nH]2)c1 ZINC000013726309 170582451 /nfs/dbraw/zinc/58/24/51/170582451.db2.gz BRHVTNIXPRLEBL-UHFFFAOYSA-N 1 0 256.269 0.849 10 0 CCAERO COc1cccc(C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)c1O ZINC000310737353 411748526 /nfs/dbraw/zinc/74/85/26/411748526.db2.gz FCGCNDYNHRPQLY-WCBMZHEXSA-N 1 0 250.298 0.963 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCC(CCO)CC1 ZINC000401101933 411779838 /nfs/dbraw/zinc/77/98/38/411779838.db2.gz CZQDNVBINWJCCW-QWHCGFSZSA-N 1 0 254.374 0.982 10 0 CCAERO CC(C)(C(=O)NCCCOCC1CC1)N1CC[NH2+]CC1 ZINC000129603958 411720591 /nfs/dbraw/zinc/72/05/91/411720591.db2.gz AUDZOTXTPZLMFX-UHFFFAOYSA-N 1 0 283.416 0.603 10 0 CCAERO [NH3+]CC1(C(=O)N2CCCC(F)(F)C2)CCOCC1 ZINC000405124703 411798398 /nfs/dbraw/zinc/79/83/98/411798398.db2.gz NFOVJKPDSWAAOE-UHFFFAOYSA-N 1 0 262.300 1.000 10 0 CCAERO Nc1n[nH]cc1[C@@H]1CNc2ccccc2N1CC[NH3+] ZINC000616682153 411842163 /nfs/dbraw/zinc/84/21/63/411842163.db2.gz CXRJPFDKVYFVRN-LBPRGKRZSA-N 1 0 258.329 0.924 10 0 CCAERO NC(=O)[C@@H]1CCCN(C(=O)COc2ccc(C[NH3+])cc2)C1 ZINC000019255841 170759410 /nfs/dbraw/zinc/75/94/10/170759410.db2.gz OFBPNJKMKZFUOI-GFCCVEGCSA-N 1 0 291.351 0.248 10 0 CCAERO COc1ccc(S(=O)(=O)N(C)CC[NH3+])c(OC)c1 ZINC000020183000 171046790 /nfs/dbraw/zinc/04/67/90/171046790.db2.gz FJCJOUJOHHAMES-UHFFFAOYSA-N 1 0 274.342 0.283 10 0 CCAERO COc1cc(C[NH2+]CCNC(C)=O)cc(OC)c1 ZINC000020185018 171047839 /nfs/dbraw/zinc/04/78/39/171047839.db2.gz OREAUUSSAVOCBW-UHFFFAOYSA-N 1 0 252.314 0.930 10 0 CCAERO COCCNS(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000020189086 171054857 /nfs/dbraw/zinc/05/48/57/171054857.db2.gz INNYAJZNICIZIX-UHFFFAOYSA-N 1 0 262.306 0.209 10 0 CCAERO COc1ccc([C@@H](C[NH3+])N2CCN(CCO)CC2)cc1 ZINC000020225846 171090388 /nfs/dbraw/zinc/09/03/88/171090388.db2.gz IDSTXZJNRCANEL-OAHLLOKOSA-N 1 0 279.384 0.305 10 0 CCAERO COc1ccccc1N(CC[NH3+])S(=O)(=O)N(C)C ZINC000020235847 171096358 /nfs/dbraw/zinc/09/63/58/171096358.db2.gz PUNGZNBTYJCZSZ-UHFFFAOYSA-N 1 0 273.358 0.267 10 0 CCAERO O=S(=O)(Nc1cccc(F)c1)N1CC[NH2+]CC1 ZINC000020247617 171100764 /nfs/dbraw/zinc/10/07/64/171100764.db2.gz PYWFXMZSTRKSJV-UHFFFAOYSA-N 1 0 259.306 0.388 10 0 CCAERO Cc1ccc(NS(=O)(=O)N2CC[NH2+]CC2)cc1F ZINC000020247696 171101082 /nfs/dbraw/zinc/10/10/82/171101082.db2.gz GHQFCOKQWWJUGB-UHFFFAOYSA-N 1 0 273.333 0.696 10 0 CCAERO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C(N)=S)cc1 ZINC000020294832 171135071 /nfs/dbraw/zinc/13/50/71/171135071.db2.gz DQUCTLZAGMXUNB-LLVKDONJSA-N 1 0 263.366 0.771 10 0 CCAERO C[C@@H]([NH2+]CCCN(C)c1ccccc1)C(=O)NC(N)=O ZINC000020361846 171160417 /nfs/dbraw/zinc/16/04/17/171160417.db2.gz OUNLQDINBZOIOD-LLVKDONJSA-N 1 0 278.356 0.686 10 0 CCAERO CC[NH+](CC)CCCN[C@H](C)C(=O)NCCCOC ZINC000020365722 171164000 /nfs/dbraw/zinc/16/40/00/171164000.db2.gz XBRYVUCYHITZTO-CYBMUJFWSA-N 1 0 273.421 0.849 10 0 CCAERO CCOc1ccc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000020433906 171199517 /nfs/dbraw/zinc/19/95/17/171199517.db2.gz QIWFYOPBXBLSMW-PWSUYJOCSA-N 1 0 250.298 0.747 10 0 CCAERO O=C(Nc1ccc2c(c1)OC(F)(F)O2)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000020434151 171199854 /nfs/dbraw/zinc/19/98/54/171199854.db2.gz QIFQJRMGWACXOK-SFYZADRCSA-N 1 0 286.234 0.669 10 0 CCAERO [NH3+]C1CCN(C(=O)CS(=O)(=O)c2ccccc2)CC1 ZINC000020530062 171240569 /nfs/dbraw/zinc/24/05/69/171240569.db2.gz QQUIVNYUNYHCJQ-UHFFFAOYSA-N 1 0 282.365 0.410 10 0 CCAERO COC(=O)[C@H](C[NH3+])Cc1cc(OC)ccc1OC ZINC000020579219 171256977 /nfs/dbraw/zinc/25/69/77/171256977.db2.gz RZUVMTOOYBKNQG-JTQLQIEISA-N 1 0 253.298 0.994 10 0 CCAERO C[NH2+]CCCNCc1cc(Cl)ccc1OCC(N)=O ZINC000020873396 171277476 /nfs/dbraw/zinc/27/74/76/171277476.db2.gz YSXUSWMDVPQBCR-UHFFFAOYSA-N 1 0 285.775 0.903 10 0 CCAERO Cc1c(N)cccc1S(=O)(=O)NCC[NH+](C)C ZINC000021009139 171285932 /nfs/dbraw/zinc/28/59/32/171285932.db2.gz ORGDGTOSPNEYJU-UHFFFAOYSA-N 1 0 257.359 0.417 10 0 CCAERO COc1cc(C[NH2+]CC(N)=O)cc(OC)c1OC ZINC000021959960 171342312 /nfs/dbraw/zinc/34/23/12/171342312.db2.gz MPZSDYJTJSIUCP-UHFFFAOYSA-N 1 0 254.286 0.287 10 0 CCAERO CC[C@@H]([NH3+])c1ccc(OCC(=O)NC(N)=O)cc1 ZINC000022167909 171366740 /nfs/dbraw/zinc/36/67/40/171366740.db2.gz LIDUMMIVUFONLV-SNVBAGLBSA-N 1 0 251.286 0.670 10 0 CCAERO [NH3+]Cc1ccccc1S(=O)(=O)N1CCC(O)CC1 ZINC000022169295 171367228 /nfs/dbraw/zinc/36/72/28/171367228.db2.gz XXRWMNXSKJQOBP-UHFFFAOYSA-N 1 0 270.354 0.291 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cccc2cc[nH]c21 ZINC000653139126 412238086 /nfs/dbraw/zinc/23/80/86/412238086.db2.gz USLXIUAHZJDSBG-PWSUYJOCSA-N 1 0 259.309 0.478 10 0 CCAERO C[C@@H]([NH2+]CC(=O)NC1CC1)C(=O)N1CCCCCC1 ZINC000035142845 172009331 /nfs/dbraw/zinc/00/93/31/172009331.db2.gz QIHZJHLUUKUUSP-LLVKDONJSA-N 1 0 267.373 0.646 10 0 CCAERO CCNS(=O)(=O)c1ccccc1NCCC[NH3+] ZINC000035353565 172144385 /nfs/dbraw/zinc/14/43/85/172144385.db2.gz CAQYJXGKPCJASE-UHFFFAOYSA-N 1 0 257.359 0.746 10 0 CCAERO C[C@H](O)c1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000035634222 172317640 /nfs/dbraw/zinc/31/76/40/172317640.db2.gz TUWHCPAOKUNIGE-JTQLQIEISA-N 1 0 272.370 0.580 10 0 CCAERO O=C(NCc1cccc(Cl)c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000035661217 172338404 /nfs/dbraw/zinc/33/84/04/172338404.db2.gz ZJQQBQKVVSVOMD-QWRGUYRKSA-N 1 0 254.717 0.679 10 0 CCAERO C[C@@H](NS(=O)(=O)N1CC[NH2+]CC1)c1ccco1 ZINC000035739675 172393903 /nfs/dbraw/zinc/39/39/03/172393903.db2.gz NWPKJBACKJTYPV-SECBINFHSA-N 1 0 259.331 0.080 10 0 CCAERO [NH3+]C[C@@H]1CCCCC[C@@H]1N1CCS(=O)(=O)CC1 ZINC000036159968 172479899 /nfs/dbraw/zinc/47/98/99/172479899.db2.gz PFZUDZVCXIPPLA-RYUDHWBXSA-N 1 0 260.403 0.624 10 0 CCAERO CO[C@H]1C[NH2+]C[C@@H]1NC(=O)Cc1cccc(F)c1 ZINC000036235994 172533530 /nfs/dbraw/zinc/53/35/30/172533530.db2.gz IXDIWRMOEZUTFG-RYUDHWBXSA-N 1 0 252.289 0.471 10 0 CCAERO C[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1S(=O)(=O)N1CCCCC1 ZINC000036266342 172561483 /nfs/dbraw/zinc/56/14/83/172561483.db2.gz IZKCWJJHWMXCDQ-UTUOFQBUSA-N 1 0 273.402 0.399 10 0 CCAERO COCc1cccc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000037005644 172864930 /nfs/dbraw/zinc/86/49/30/172864930.db2.gz BAKGGHCOFBKCMU-NEPJUHHUSA-N 1 0 250.298 0.494 10 0 CCAERO C[NH2+]Cc1cc(OC)ccc1OC[C@@H](C)C(N)=O ZINC000037226762 173046437 /nfs/dbraw/zinc/04/64/37/173046437.db2.gz QKCUJVWLBSLTIA-SECBINFHSA-N 1 0 252.314 0.915 10 0 CCAERO CCOc1ccccc1NC(=O)C(=O)NCC[NH3+] ZINC000037243524 173059123 /nfs/dbraw/zinc/05/91/23/173059123.db2.gz ACUNNTVEWMKEHA-UHFFFAOYSA-N 1 0 251.286 0.099 10 0 CCAERO O=c1oc2ccccc2n1CCN1CCC[NH2+]CC1 ZINC000037365253 173154349 /nfs/dbraw/zinc/15/43/49/173154349.db2.gz DHOCAAKXRVYSJC-UHFFFAOYSA-N 1 0 261.325 0.890 10 0 CCAERO CCN(C(=O)CNC(=O)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000037539852 173261692 /nfs/dbraw/zinc/26/16/92/173261692.db2.gz MARXHAZRHVGOIS-ZDUSSCGKSA-N 1 0 275.352 0.627 10 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250.298 0.493 10 0 CCAERO O=S(=O)(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cn[nH]c1 ZINC000037904981 173837574 /nfs/dbraw/zinc/83/75/74/173837574.db2.gz BMXMECSBZCKMMH-SECBINFHSA-N 1 0 270.358 0.172 10 0 CCAERO O=C(NCc1ccccn1)[C@H]1CCCN1C1CC[NH2+]CC1 ZINC000038042927 174047448 /nfs/dbraw/zinc/04/74/48/174047448.db2.gz GIBFTJMQCLSMJE-OAHLLOKOSA-N 1 0 288.395 0.914 10 0 CCAERO [NH3+][C@@H]1CCCC[C@@H]1NS(=O)(=O)CCc1ccccn1 ZINC000038050211 174061657 /nfs/dbraw/zinc/06/16/57/174061657.db2.gz UYZIOKDDMBBOQM-OLZOCXBDSA-N 1 0 283.397 0.813 10 0 CCAERO COc1ccc([C@H](O)C[NH2+]C[C@@H]2COCCO2)cc1 ZINC000038061558 174072239 /nfs/dbraw/zinc/07/22/39/174072239.db2.gz YTCMGLNPRVFXRX-ZIAGYGMSSA-N 1 0 267.325 0.734 10 0 CCAERO COc1cccc(CNS(=O)(=O)CCC[NH3+])c1 ZINC000038078061 174088117 /nfs/dbraw/zinc/08/81/17/174088117.db2.gz HNYPNXDCHWVMRX-UHFFFAOYSA-N 1 0 258.343 0.463 10 0 CCAERO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000038083330 174093013 /nfs/dbraw/zinc/09/30/13/174093013.db2.gz XKGHREMCAPGLPT-FVCCEPFGSA-N 1 0 274.430 0.739 10 0 CCAERO [NH3+]Cc1c(F)cccc1O[C@H]1CCS(=O)(=O)C1 ZINC000038084357 174094324 /nfs/dbraw/zinc/09/43/24/174094324.db2.gz AZYSKPNPCMHMPG-QMMMGPOBSA-N 1 0 259.302 0.850 10 0 CCAERO OC[C@H](c1ccc2c(c1)OCO2)N1CC[NH2+]CC1 ZINC000038120881 174128509 /nfs/dbraw/zinc/12/85/09/174128509.db2.gz BBZGCNZSVXQBSE-LLVKDONJSA-N 1 0 250.298 0.354 10 0 CCAERO CC(C)(C)OC(=O)NCC1CN([C@H]2CC[NH2+]C2)C1 ZINC000039952037 174177047 /nfs/dbraw/zinc/17/70/47/174177047.db2.gz ZPQUPOUMBRSEAH-NSHDSACASA-N 1 0 255.362 0.805 10 0 CCAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cccnc1 ZINC000040749803 174394600 /nfs/dbraw/zinc/39/46/00/174394600.db2.gz LIHVGWDPDGAQGJ-FGWVZKOKSA-N 1 0 267.354 0.724 10 0 CCAERO CN(C)Nc1[nH+]cnc(-n2nnc3ccccc32)c1N ZINC000040760172 174396922 /nfs/dbraw/zinc/39/69/22/174396922.db2.gz JAJSRIZRMAQMAM-UHFFFAOYSA-N 1 0 270.300 0.681 10 0 CCAERO COCCOCCOCCCN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000662275711 414704528 /nfs/dbraw/zinc/70/45/28/414704528.db2.gz DLGLRZZNFJURCT-OLZOCXBDSA-N 1 0 260.378 0.335 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1CCCC2(CC2)C1 ZINC000662563139 414728684 /nfs/dbraw/zinc/72/86/84/414728684.db2.gz MVKLCTCRPQIFAU-GRYCIOLGSA-N 1 0 252.358 0.653 10 0 CCAERO CN1C[C@@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2)CC1=O ZINC000662694754 414742456 /nfs/dbraw/zinc/74/24/56/414742456.db2.gz CCKYLMLTGPMALR-DGCLKSJQSA-N 1 0 275.352 0.671 10 0 CCAERO CN(C(=O)c1ncccc1O)[C@@H](C[NH3+])C(F)(F)F ZINC000662985504 414935875 /nfs/dbraw/zinc/93/58/75/414935875.db2.gz WHFOQZCDMNBCNT-ZETCQYMHSA-N 1 0 263.219 0.749 10 0 CCAERO [NH3+]C1CCC(C(=O)N2CC[C@H]3COC[C@H]3C2)CC1 ZINC000662920053 414893465 /nfs/dbraw/zinc/89/34/65/414893465.db2.gz RLPYBTPWZUWGPQ-CMOBGSAGSA-N 1 0 252.358 0.999 10 0 CCAERO CCCNC(=O)CN(C)[C@H](CC[NH3+])C(F)(F)F ZINC000042517582 174768654 /nfs/dbraw/zinc/76/86/54/174768654.db2.gz QJKCZTCSMXEOJP-MRVPVSSYSA-N 1 0 255.284 0.724 10 0 CCAERO CC(C)OCCOC[C@H](O)C[NH2+][C@H]1CCN(C)C1 ZINC000042546521 174787639 /nfs/dbraw/zinc/78/76/39/174787639.db2.gz ZALFNVOQKFNELJ-QWHCGFSZSA-N 1 0 260.378 0.083 10 0 CCAERO C[C@]1(C(F)F)CN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CCO1 ZINC000663007425 414947765 /nfs/dbraw/zinc/94/77/65/414947765.db2.gz HPHXQAFJAQLPBP-YGOYTEALSA-N 1 0 262.300 0.996 10 0 CCAERO COCCN(C(=O)[C@@H]1CC[C@H](C)[NH2+]C1)[C@@H](C)COC ZINC000042610517 174823641 /nfs/dbraw/zinc/82/36/41/174823641.db2.gz WDWMOHSOAFLBQV-RWMBFGLXSA-N 1 0 272.389 0.884 10 0 CCAERO C[NH2+]C[C@H]1CCN(Cc2ccc(C(N)=O)cc2F)C1 ZINC000071146051 176042089 /nfs/dbraw/zinc/04/20/89/176042089.db2.gz CGMIAKFSGYLSAL-SNVBAGLBSA-N 1 0 265.332 0.966 10 0 CCAERO [NH3+]Cc1cc(F)ccc1CN1CCS(=O)(=O)CC1 ZINC000071250692 176094979 /nfs/dbraw/zinc/09/49/79/176094979.db2.gz NOZIVKZZRHZTMS-UHFFFAOYSA-N 1 0 272.345 0.515 10 0 CCAERO C[NH+]1CCC(NS(=O)(=O)c2cc(N)cc(F)c2)CC1 ZINC000071402388 176154467 /nfs/dbraw/zinc/15/44/67/176154467.db2.gz RPVOEZADROATGU-UHFFFAOYSA-N 1 0 287.360 0.780 10 0 CCAERO CNC(=O)[C@H](CC[NH3+])c1cc(OC)ccc1OC ZINC000076656342 177046096 /nfs/dbraw/zinc/04/60/96/177046096.db2.gz HYDRQRKNABXRIU-SNVBAGLBSA-N 1 0 252.314 0.882 10 0 CCAERO CCC[C@H](C[NH3+])CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000076675193 177055738 /nfs/dbraw/zinc/05/57/38/177055738.db2.gz HFPANULVVRZDNB-UWVGGRQHSA-N 1 0 262.375 0.055 10 0 CCAERO CCC[C@H](C[NH3+])CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000076675186 177055803 /nfs/dbraw/zinc/05/58/03/177055803.db2.gz HFPANULVVRZDNB-VHSXEESVSA-N 1 0 262.375 0.055 10 0 CCAERO [NH3+]CC[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccncc1 ZINC000076678173 177056931 /nfs/dbraw/zinc/05/69/31/177056931.db2.gz NQVDNGMVTBXCTH-QWHCGFSZSA-N 1 0 263.341 0.809 10 0 CCAERO O=[S@]1CCN(Cc2ccccc2)[C@]2(CC[NH2+]C2)C1 ZINC000076699205 177061290 /nfs/dbraw/zinc/06/12/90/177061290.db2.gz SWJPAODNFGTTEO-KBXCAEBGSA-N 1 0 264.394 0.983 10 0 CCAERO CC(C)S(=O)(=O)N1CC2(C1)C[NH2+]CC2(F)F ZINC000685949627 545871633 /nfs/dbraw/zinc/87/16/33/545871633.db2.gz VPZUKRBAMZXQED-UHFFFAOYSA-N 1 0 254.302 0.265 10 0 CCAERO COCCC(=O)N1CCOC2(CCC([NH3+])CC2)C1 ZINC000725244248 545873504 /nfs/dbraw/zinc/87/35/04/545873504.db2.gz QAIMOUGOVMKUFA-UHFFFAOYSA-N 1 0 256.346 0.522 10 0 CCAERO CCCS(=O)(=O)NC1CCC2(CC1)C[NH2+]CCO2 ZINC000725244484 545874707 /nfs/dbraw/zinc/87/47/07/545874707.db2.gz VTXGPSKPTMHQFX-UHFFFAOYSA-N 1 0 276.402 0.617 10 0 CCAERO CS(=O)(=O)c1cnn(Cc2cccc(C(N)=[NH2+])c2)c1 ZINC000725252435 545876727 /nfs/dbraw/zinc/87/67/27/545876727.db2.gz SNHHSENZCKRWGZ-UHFFFAOYSA-N 1 0 278.337 0.619 10 0 CCAERO CS(=O)(=O)c1cnn(CCCCC(=[NH2+])NO)c1 ZINC000725252400 545877367 /nfs/dbraw/zinc/87/73/67/545877367.db2.gz SBKJABQFGMUHLN-UHFFFAOYSA-N 1 0 260.319 0.413 10 0 CCAERO CC[NH2+][C@@H](Cn1cc(S(C)(=O)=O)cn1)[C@H]1CCOC1 ZINC000725252927 545878247 /nfs/dbraw/zinc/87/82/47/545878247.db2.gz PNNUGQRBDYKGIQ-JQWIXIFHSA-N 1 0 287.385 0.301 10 0 CCAERO Cc1ccnc(-n2cc(S(C)(=O)=O)cn2)c1C[NH3+] ZINC000725253521 545878417 /nfs/dbraw/zinc/87/84/17/545878417.db2.gz WPXMWINAOPDELP-UHFFFAOYSA-N 1 0 266.326 0.438 10 0 CCAERO C[C@@H]1CC[C@H]([NH3+])[C@@H](n2cc(S(C)(=O)=O)cn2)C1 ZINC000725253833 545880925 /nfs/dbraw/zinc/88/09/25/545880925.db2.gz ZVCXIVOVQFOLQL-MIMYLULJSA-N 1 0 257.359 0.975 10 0 CCAERO C[C@H](O)C[N@H+](C)[C@H]1CC(=O)N[C@H](C(F)(F)F)C1 ZINC000725263119 545882908 /nfs/dbraw/zinc/88/29/08/545882908.db2.gz OYSJPIUWMYQKAN-RNJXMRFFSA-N 1 0 254.252 0.509 10 0 CCAERO CC(C)(C(N)=S)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258648 545882103 /nfs/dbraw/zinc/88/21/03/545882103.db2.gz VXPHIAPHCAYRIT-UHFFFAOYSA-N 1 0 267.358 0.278 10 0 CCAERO CC[C@]1([NH3+])CCCN(S(=O)(=O)[C@H]2CCOC2)C1 ZINC000725264246 545884608 /nfs/dbraw/zinc/88/46/08/545884608.db2.gz RJCTVSXKBMFIPV-QWRGUYRKSA-N 1 0 262.375 0.308 10 0 CCAERO COCCNC(=O)N1CCC2(CCC[C@@H]2[NH3+])CC1 ZINC000725264014 545885103 /nfs/dbraw/zinc/88/51/03/545885103.db2.gz FPYPWAVSYHSUGL-NSHDSACASA-N 1 0 255.362 0.936 10 0 CCAERO CC(C)[C@H](C)C(=O)N1CC(N2C[C@@H]([NH3+])CC2=O)C1 ZINC000725271777 545888738 /nfs/dbraw/zinc/88/87/38/545888738.db2.gz CHPZAFSAZWZNIB-UWVGGRQHSA-N 1 0 253.346 0.049 10 0 CCAERO O=S(=O)(C[C@@]12CC[NH2+][C@H]1CCCC2)NC1CC1 ZINC000725272909 545889011 /nfs/dbraw/zinc/88/90/11/545889011.db2.gz UDHNGBKOQFNAGQ-NWDGAFQWSA-N 1 0 258.387 0.991 10 0 CCAERO Cc1nc([C@@H](C)[NH2+]CCCS(N)(=O)=O)cs1 ZINC000045068873 544432463 /nfs/dbraw/zinc/43/24/63/544432463.db2.gz PYYDQPFOYRBJTD-SSDOTTSWSA-N 1 0 263.388 0.781 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCCn1ccnc1 ZINC000094647185 544545098 /nfs/dbraw/zinc/54/50/98/544545098.db2.gz ZAMRILSAUIJNFH-NWDGAFQWSA-N 1 0 250.346 0.778 10 0 CCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(C)Cc1nccn1C ZINC000094648318 544545832 /nfs/dbraw/zinc/54/58/32/544545832.db2.gz FAVZQFHRMPWCQI-MNOVXSKESA-N 1 0 250.346 0.767 10 0 CCAERO NC(=O)CN(C(=O)[C@H]1CCC[C@H]1C[NH3+])C1CCCC1 ZINC000089456926 544514202 /nfs/dbraw/zinc/51/42/02/544514202.db2.gz UIOMOVSLXAOIPL-JQWIXIFHSA-N 1 0 267.373 0.618 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1cccnc1-n1cncn1 ZINC000089459144 544514561 /nfs/dbraw/zinc/51/45/61/544514561.db2.gz GXOPHCLREAIIDF-WDEREUQCSA-N 1 0 286.339 0.976 10 0 CCAERO CNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000091542066 544528517 /nfs/dbraw/zinc/52/85/17/544528517.db2.gz YNWKOWORLSJZKN-NXEZZACHSA-N 1 0 297.380 0.661 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCCCn1ccnn1 ZINC000127134439 544603036 /nfs/dbraw/zinc/60/30/36/544603036.db2.gz KAOMELRPKGSGFR-QWRGUYRKSA-N 1 0 251.334 0.159 10 0 CCAERO CC[C@H](CO)NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000131885860 544620497 /nfs/dbraw/zinc/62/04/97/544620497.db2.gz FWJRFJYRLPLKNR-QJPTWQEYSA-N 1 0 257.378 0.785 10 0 CCAERO CCOCCN1CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC000152467976 544657952 /nfs/dbraw/zinc/65/79/52/544657952.db2.gz YMVVQJXRULITOZ-KGLIPLIRSA-N 1 0 285.432 0.896 10 0 CCAERO C[C@@H]([NH3+])[C@H]1CN(c2nnnn2-c2ccccc2)CCO1 ZINC000156562595 544679815 /nfs/dbraw/zinc/67/98/15/544679815.db2.gz RTISDBPOTQCHPM-ZYHUDNBSSA-N 1 0 274.328 0.215 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)N(CC(N)=O)C1CCCC1 ZINC000136393716 544639302 /nfs/dbraw/zinc/63/93/02/544639302.db2.gz CEUVMWHMZIEYQD-NSHDSACASA-N 1 0 255.362 0.616 10 0 CCAERO CNC(=O)[C@H]([NH2+]CC(=O)NCc1cccs1)C(C)C ZINC000183661358 544770447 /nfs/dbraw/zinc/77/04/47/544770447.db2.gz SHAAREYWFSWJPA-GFCCVEGCSA-N 1 0 283.397 0.725 10 0 CCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCN1CCSCC1 ZINC000227432461 544834040 /nfs/dbraw/zinc/83/40/40/544834040.db2.gz HNBFCYVOBBSNIN-VXGBXAGGSA-N 1 0 271.430 0.526 10 0 CCAERO CC(=O)NCC1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000227424511 544834145 /nfs/dbraw/zinc/83/41/45/544834145.db2.gz PGWVEHXKAVONEZ-ZIAGYGMSSA-N 1 0 281.400 0.736 10 0 CCAERO CCn1cnnc1CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000227432540 544834473 /nfs/dbraw/zinc/83/44/73/544834473.db2.gz UTKYGYRBPKDOHL-VHSXEESVSA-N 1 0 251.334 0.289 10 0 CCAERO O=C(N1CC[N@@H+]2CCC[C@H]2C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000223762998 544825497 /nfs/dbraw/zinc/82/54/97/544825497.db2.gz XJRVFXDGUXRCDT-CMPLNLGQSA-N 1 0 291.317 0.835 10 0 CCAERO [NH3+]C1CCC(C(=O)NCCN2CCSCC2)CC1 ZINC000226389576 544830088 /nfs/dbraw/zinc/83/00/88/544830088.db2.gz DMCVUVSUUSEIAK-UHFFFAOYSA-N 1 0 271.430 0.669 10 0 CCAERO C[C@H](O)CCC[NH2+]C[C@H](O)COCc1ccco1 ZINC000227720313 544835609 /nfs/dbraw/zinc/83/56/09/544835609.db2.gz YICLRMUWYOHXGF-RYUDHWBXSA-N 1 0 257.330 0.908 10 0 CCAERO CCOc1cnc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cn1 ZINC000189641546 544790958 /nfs/dbraw/zinc/79/09/58/544790958.db2.gz JAKVLIRUZPXQJK-NSHDSACASA-N 1 0 294.355 0.278 10 0 CCAERO C[C@@H]1C[C@@H](NC(=O)N2C[C@@H](C)[C@H](CO)C2)C[N@@H+]1C1CC1 ZINC000189506935 544791150 /nfs/dbraw/zinc/79/11/50/544791150.db2.gz WIIICHRPDKNYSA-FVCCEPFGSA-N 1 0 281.400 0.881 10 0 CCAERO CCCCOC[C@H](O)Cn1cc(C[NH2+]CC)nn1 ZINC000227913628 544839011 /nfs/dbraw/zinc/83/90/11/544839011.db2.gz GIYGNSRSFLMGNR-GFCCVEGCSA-N 1 0 256.350 0.565 10 0 CCAERO CCCCOC[C@@H](O)Cn1cc(C[NH2+]C2CC2)nn1 ZINC000227915151 544840777 /nfs/dbraw/zinc/84/07/77/544840777.db2.gz LWKXYRAPHCIGQS-ZDUSSCGKSA-N 1 0 268.361 0.708 10 0 CCAERO CCc1cc(NC(=O)C(C)(C)N2CC[NH2+]CC2)n[nH]1 ZINC000228334379 544843512 /nfs/dbraw/zinc/84/35/12/544843512.db2.gz LZSGARKMGYOCPS-UHFFFAOYSA-N 1 0 265.361 0.594 10 0 CCAERO FC(F)(F)c1nsc(NC[C@@H]2COCC[NH2+]2)n1 ZINC000228794019 544845596 /nfs/dbraw/zinc/84/55/96/544845596.db2.gz OUGQGCNPYAUCHD-RXMQYKEDSA-N 1 0 268.264 0.957 10 0 CCAERO CCCCOC[C@@H](O)Cn1cc([C@@H]([NH3+])CC)nn1 ZINC000229934802 544850464 /nfs/dbraw/zinc/85/04/64/544850464.db2.gz HSWUSWACGGRVOF-QWRGUYRKSA-N 1 0 256.350 0.866 10 0 CCAERO [NH3+]C1(C(=O)NC[C@@H](O)Cc2ccccc2)CCCC1 ZINC000237798247 544898174 /nfs/dbraw/zinc/89/81/74/544898174.db2.gz NZUPSRSZZZIHTG-ZDUSSCGKSA-N 1 0 262.353 0.978 10 0 CCAERO CC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000236816577 544887320 /nfs/dbraw/zinc/88/73/20/544887320.db2.gz IVLBYJVRNSTXOY-WOPDTQHZSA-N 1 0 253.346 0.241 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CCC(=O)N1C ZINC000248577011 544915028 /nfs/dbraw/zinc/91/50/28/544915028.db2.gz PTMCYNVNKSUZBX-WOPDTQHZSA-N 1 0 265.357 0.302 10 0 CCAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000253266369 544932566 /nfs/dbraw/zinc/93/25/66/544932566.db2.gz XMRIOQCFUVQDBW-VBTGVMJWSA-N 1 0 296.411 0.939 10 0 CCAERO Cc1ccc(C(=O)CCC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262085952 544939214 /nfs/dbraw/zinc/93/92/14/544939214.db2.gz CQJFTMHYLDKZHS-DZGCQCFKSA-N 1 0 290.363 0.654 10 0 CCAERO COc1cc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc(OC)c1C ZINC000262099898 544939250 /nfs/dbraw/zinc/93/92/50/544939250.db2.gz DOSOZRQXKGLDPA-VXGBXAGGSA-N 1 0 294.351 0.322 10 0 CCAERO O=c1[nH]c2ccccc2cc1CNC[C@H]1C[NH2+]C[C@H]1O ZINC000262098258 544939526 /nfs/dbraw/zinc/93/95/26/544939526.db2.gz IHWBNILTROLSSX-GXTWGEPZSA-N 1 0 273.336 0.610 10 0 CCAERO O=C(Cc1cccc(F)c1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262105363 544940226 /nfs/dbraw/zinc/94/02/26/544940226.db2.gz FAXJCBAIRDNGNI-JQWIXIFHSA-N 1 0 252.289 0.065 10 0 CCAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCC[C@H]1Cn1ccnn1 ZINC000333806603 545043246 /nfs/dbraw/zinc/04/32/46/545043246.db2.gz IOSZSYYKXSKPBY-AGIUHOORSA-N 1 0 292.387 0.593 10 0 CCAERO C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000333809067 545043261 /nfs/dbraw/zinc/04/32/61/545043261.db2.gz ZUAAZFZFBOQWNN-NEPJUHHUSA-N 1 0 277.372 0.995 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CCC[C@H]1Cn1ccnn1 ZINC000333806614 545043426 /nfs/dbraw/zinc/04/34/26/545043426.db2.gz IOSZSYYKXSKPBY-RWMBFGLXSA-N 1 0 292.387 0.593 10 0 CCAERO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1S(=O)(=O)CC1CCC1 ZINC000330193316 545030168 /nfs/dbraw/zinc/03/01/68/545030168.db2.gz AHJKDNNKQYXYEF-DGCLKSJQSA-N 1 0 290.429 0.503 10 0 CCAERO CNC(=O)[C@@H]1CCCN1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000332725105 545031815 /nfs/dbraw/zinc/03/18/15/545031815.db2.gz NCGWSRLYJZKMFS-AVGNSLFASA-N 1 0 294.399 0.533 10 0 CCAERO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H](C)[C@@H]2CCCO2)[N@H+](C)C1 ZINC000332797058 545034040 /nfs/dbraw/zinc/03/40/40/545034040.db2.gz UUSCCHXMFKZHQM-XUXIUFHCSA-N 1 0 299.415 0.914 10 0 CCAERO C[C@H]1C[C@@H]1NC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000333335956 545039206 /nfs/dbraw/zinc/03/92/06/545039206.db2.gz OYQRVYLXMGHSGI-ONGXEEELSA-N 1 0 276.344 0.416 10 0 CCAERO C[C@H](NC(=O)NC[C@@H]1CC[NH2+]C1)[C@@H]1CCCCO1 ZINC000333700715 545041966 /nfs/dbraw/zinc/04/19/66/545041966.db2.gz DHRUAYXQCOGYPQ-TUAOUCFPSA-N 1 0 255.362 0.853 10 0 CCAERO CC(C)[C@@H]1C(=O)NCCN1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333696214 545042022 /nfs/dbraw/zinc/04/20/22/545042022.db2.gz QGILCZJZWKZIDG-VXGBXAGGSA-N 1 0 282.388 0.295 10 0 CCAERO CC(C)SCC(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000518982041 265274482 /nfs/dbraw/zinc/27/44/82/265274482.db2.gz LCFBRZWBNFPHNV-MNOVXSKESA-N 1 0 258.387 0.717 10 0 CCAERO CC(C)CN(C)S(=O)(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261865760 278830082 /nfs/dbraw/zinc/83/00/82/278830082.db2.gz SOUAFVKMKWLTGR-LLVKDONJSA-N 1 0 277.434 0.878 10 0 CCAERO C[C@@H]1CC[C@@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)[C@@H](C)C1 ZINC000333519860 287698232 /nfs/dbraw/zinc/69/82/32/287698232.db2.gz GMMWXUCQQQUPHF-FHUSYTEZSA-N 1 0 269.389 0.785 10 0 CCAERO C[C@H]1CN(C(=O)c2cnn(-c3ccccc3)n2)C[C@@H]1[NH3+] ZINC000235694488 274577037 /nfs/dbraw/zinc/57/70/37/274577037.db2.gz PLHVOPRBDOHQID-JQWIXIFHSA-N 1 0 271.324 0.687 10 0 CCAERO CC[N@H+](C)CCNS(=O)(=O)N1CCC[C@@H](C)C1 ZINC000408118790 276305900 /nfs/dbraw/zinc/30/59/00/276305900.db2.gz XDXCSSOTSVRIOT-LLVKDONJSA-N 1 0 263.407 0.504 10 0 CCAERO CN(C(=O)N[C@H]1CCc2cc(F)ccc21)[C@H]1C[NH2+]C[C@@H]1O ZINC000333850151 276729994 /nfs/dbraw/zinc/72/99/94/276729994.db2.gz XATQXNYEOHADDD-IHRRRGAJSA-N 1 0 293.342 0.787 10 0 CCAERO C[N@@H+]1CCCN(c2cc(=O)n3ccccc3n2)CC1 ZINC000010973457 277052288 /nfs/dbraw/zinc/05/22/88/277052288.db2.gz JWKSLAKXGDHHAV-UHFFFAOYSA-N 1 0 258.325 0.836 10 0 CCAERO CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CCCC[C@H](CO)C1 ZINC000374050983 277169060 /nfs/dbraw/zinc/16/90/60/277169060.db2.gz 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10 0 CCAERO Cn1c(I)nc2c1C[NH2+]CC2 ZINC000095764168 279308825 /nfs/dbraw/zinc/30/88/25/279308825.db2.gz YGVIADMZZXTADW-UHFFFAOYSA-N 1 0 263.082 0.670 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC(=O)NCC1CC1 ZINC000182054963 279324910 /nfs/dbraw/zinc/32/49/10/279324910.db2.gz QFRBJCAAOAYUGC-ZDUSSCGKSA-N 1 0 296.415 0.638 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)N1CCOCC1 ZINC000175351341 279327571 /nfs/dbraw/zinc/32/75/71/279327571.db2.gz FAVPYRHYYVXIKJ-ZDUSSCGKSA-N 1 0 269.389 0.261 10 0 CCAERO C[C@H](CO[C@@H]1CCOC1)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261819506 279361427 /nfs/dbraw/zinc/36/14/27/279361427.db2.gz SMIVEXXEITXSJS-FDYHWXHSSA-N 1 0 270.373 0.672 10 0 CCAERO Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1CCC(=O)N(C)C1=O ZINC000090026660 279408403 /nfs/dbraw/zinc/40/84/03/279408403.db2.gz CSLCHGBUWRRXNG-QWRGUYRKSA-N 1 0 276.340 0.535 10 0 CCAERO C[C@@H]1C[NH+](CC2CCN(C(N)=O)CC2)C[C@@H](C)O1 ZINC000171325829 288152568 /nfs/dbraw/zinc/15/25/68/288152568.db2.gz BWRREAXAJROQDF-GHMZBOCLSA-N 1 0 255.362 0.886 10 0 CCAERO O=C(N[C@@H]1CCCN(c2ccccc2)C1)C1C[NH2+]C1 ZINC000262290957 279880649 /nfs/dbraw/zinc/88/06/49/279880649.db2.gz XRSKEVQXBJLQFC-CYBMUJFWSA-N 1 0 259.353 0.991 10 0 CCAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CCc2cc[nH]c(=O)c2C1 ZINC000333801297 279951176 /nfs/dbraw/zinc/95/11/76/279951176.db2.gz HTNSFACDYLDFMJ-LBPRGKRZSA-N 1 0 290.367 0.997 10 0 CCAERO CC[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C)O2)CC[N@@H+]1C[C@H](C)O ZINC000246102702 280369654 /nfs/dbraw/zinc/36/96/54/280369654.db2.gz WQBMQVGKKVWOJW-FQUUOJAGSA-N 1 0 284.400 0.858 10 0 CCAERO CC[C@@H]1CN(C(=O)[C@@]2(C)CCCO2)CC[N@@H+]1C[C@@H](C)O ZINC000408110366 280373353 /nfs/dbraw/zinc/37/33/53/280373353.db2.gz OTXRJPCWRATXIT-UMVBOHGHSA-N 1 0 284.400 0.859 10 0 CCAERO CC(C)[C@](C)(O)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000408301145 280519815 /nfs/dbraw/zinc/51/98/15/280519815.db2.gz OTZZNADCLUPVEL-YPMHNXCESA-N 1 0 258.362 0.182 10 0 CCAERO Cc1cc(N2CCO[C@@H](C[NH+](C)C)C2)nc(C)n1 ZINC000108951842 280563708 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C[N@H+]1C[C@H]2CN(CC(=O)NC(=O)NC(C)(C)C)C[C@H]2C1 ZINC000193657889 290288304 /nfs/dbraw/zinc/28/83/04/290288304.db2.gz FMSFQMYWZHPKHN-PHIMTYICSA-N 1 0 282.388 0.104 10 0 CCAERO COC[C@H](O)CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194130932 293172328 /nfs/dbraw/zinc/17/23/28/293172328.db2.gz CZXGIFILYITGSW-FVCCEPFGSA-N 1 0 255.358 0.931 10 0 CCAERO Cn1cc([C@H]2CNCCN2C(=O)CC(C)(C)[NH3+])cn1 ZINC000181373607 294299868 /nfs/dbraw/zinc/29/98/68/294299868.db2.gz QLUJVSLMIXGMIF-LLVKDONJSA-N 1 0 265.361 0.020 10 0 CCAERO NC(=O)c1csc(C[NH2+][C@@H]2CCCN(CCO)C2)c1 ZINC000384736702 545085413 /nfs/dbraw/zinc/08/54/13/545085413.db2.gz QDJHCXAEHQEVGT-LLVKDONJSA-N 1 0 283.397 0.393 10 0 CCAERO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCO[C@@H]3CCCC[C@@H]32)O1 ZINC000094568569 295274638 /nfs/dbraw/zinc/27/46/38/295274638.db2.gz SCFBOXLUCZHBHH-XQHKEYJVSA-N 1 0 268.357 0.663 10 0 CCAERO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C(N)=O)C1C[NH2+]C1 ZINC000262349318 298185679 /nfs/dbraw/zinc/18/56/79/298185679.db2.gz GHCOVKLSUCSFRM-GDPRMGEGSA-N 1 0 253.346 0.002 10 0 CCAERO C[C@H](C(F)(F)F)S(=O)(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000334987884 298233971 /nfs/dbraw/zinc/23/39/71/298233971.db2.gz PZLBDRUXTMDBAY-BDAKNGLRSA-N 1 0 286.319 0.952 10 0 CCAERO C[C@H](CC(=O)N1CCCC[C@@H]1C(N)=O)[C@@H]1CCC[NH2+]C1 ZINC000156052105 298288251 /nfs/dbraw/zinc/28/82/51/298288251.db2.gz WVXGHEBROLWTOB-JHJVBQTASA-N 1 0 281.400 0.879 10 0 CCAERO C[C@H]1C[NH2+]CCN1C(=O)N[C@H]1CCC(=O)NC1(C)C ZINC000334922819 300321492 /nfs/dbraw/zinc/32/14/92/300321492.db2.gz XUMQERQVTWUVBH-UWVGGRQHSA-N 1 0 268.361 0.047 10 0 CCAERO C[NH+](C)[C@@H]1CCN(S(=O)(=O)C[C@@H]2CCCCO2)C1 ZINC000170873498 327668711 /nfs/dbraw/zinc/66/87/11/327668711.db2.gz DIMBEYQBGOTJHO-NEPJUHHUSA-N 1 0 276.402 0.521 10 0 CCAERO CC(=O)N1CCC([NH2+]C[C@H]2Cn3ccnc3CO2)CC1 ZINC000096296270 327114229 /nfs/dbraw/zinc/11/42/29/327114229.db2.gz BLSRQMLUPVMKMD-ZDUSSCGKSA-N 1 0 278.356 0.382 10 0 CCAERO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCc1nnn(C)n1 ZINC000398164213 329436552 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ZINC000049644894 519720922 /nfs/dbraw/zinc/72/09/22/519720922.db2.gz DJNHPUPUWRUSHP-GFCCVEGCSA-N 1 0 278.418 0.815 10 0 CCAERO CC(C)[NH2+]CCCS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000049632091 519721078 /nfs/dbraw/zinc/72/10/78/519721078.db2.gz XYROSOJIAQKBNE-TXEJJXNPSA-N 1 0 278.418 0.814 10 0 CCAERO CCCNC(=O)CNC(=O)[C@H]1CCC[C@@H](C)[C@@H]1[NH3+] ZINC000055128663 519879145 /nfs/dbraw/zinc/87/91/45/519879145.db2.gz CHPHLVWLVOULMA-SCVCMEIPSA-N 1 0 255.362 0.392 10 0 CCAERO CC(C)n1cc(NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)cn1 ZINC000061683535 519963878 /nfs/dbraw/zinc/96/38/78/519963878.db2.gz ABPZXVOGVTZNAC-SNVBAGLBSA-N 1 0 288.373 0.165 10 0 CCAERO C[NH2+]Cc1cn(CCN2C[C@@H](C)OC(C)(C)C2)nn1 ZINC000052543511 522146041 /nfs/dbraw/zinc/14/60/41/522146041.db2.gz HKLCBJXBSLHQSI-LLVKDONJSA-N 1 0 267.377 0.497 10 0 CCAERO COC(=O)c1ccc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)o1 ZINC000415136221 534112718 /nfs/dbraw/zinc/11/27/18/534112718.db2.gz CJHRPUMWTKKAKI-CMPLNLGQSA-N 1 0 266.297 0.239 10 0 CCAERO 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265.357 0.112 10 0 CCAERO CC[N@@H+]1CCCC[C@H]1C(=O)NCCc1nc(C)no1 ZINC000104342437 349714589 /nfs/dbraw/zinc/71/45/89/349714589.db2.gz KBQSZFGBUXGEIL-NSHDSACASA-N 1 0 266.345 0.911 10 0 CCAERO Cc1noc(CN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)n1 ZINC000105823406 349725438 /nfs/dbraw/zinc/72/54/38/349725438.db2.gz FGRRXOAOJHVFTJ-NXEZZACHSA-N 1 0 254.334 0.265 10 0 CCAERO O=C([C@H]1CNC(=O)C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000110433109 349760589 /nfs/dbraw/zinc/76/05/89/349760589.db2.gz WMPDKGNMZRZTOX-NEPJUHHUSA-N 1 0 265.357 0.209 10 0 CCAERO CCOC(=O)CN(C)C(=O)CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113269625 349806849 /nfs/dbraw/zinc/80/68/49/349806849.db2.gz TXZXZOJQRRNVKL-QWHCGFSZSA-N 1 0 297.399 0.176 10 0 CCAERO CCCNC(=O)NC(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113267591 349806595 /nfs/dbraw/zinc/80/65/95/349806595.db2.gz HNTCZVUTFALBNM-RYUDHWBXSA-N 1 0 282.388 0.391 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCN1CCOCC1 ZINC000113575507 349816470 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COEKUYGBJMNJSC-GFCCVEGCSA-N 1 0 251.286 0.352 10 0 CCAERO CC1(C)CN(S(=O)(=O)c2cnc3n2CCC3)CC[C@@H]1[NH3+] ZINC000261637541 137013385 /nfs/dbraw/zinc/01/33/85/137013385.db2.gz FRFIXKGGSSPYBN-JTQLQIEISA-N 1 0 298.412 0.577 10 0 CCAERO Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261644980 137013784 /nfs/dbraw/zinc/01/37/84/137013784.db2.gz DSGLRYPWHQYSSK-PWSUYJOCSA-N 1 0 277.324 0.539 10 0 CCAERO Cc1cccc(OCCC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262346774 137039213 /nfs/dbraw/zinc/03/92/13/137039213.db2.gz UFFWJPKFBGGJEM-JSGCOSHPSA-N 1 0 278.352 0.460 10 0 CCAERO Cc1cccc(C)c1OCC(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262342170 137039222 /nfs/dbraw/zinc/03/92/22/137039222.db2.gz TWHQLNWZUBQLIK-CHWSQXEVSA-N 1 0 278.352 0.379 10 0 CCAERO CCOc1ccc(CC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262353595 137039660 /nfs/dbraw/zinc/03/96/60/137039660.db2.gz UQDANXJAIFYHHV-OCCSQVGLSA-N 1 0 278.352 0.324 10 0 CCAERO COC[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000262373229 137040510 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C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262405213 137042643 /nfs/dbraw/zinc/04/26/43/137042643.db2.gz YUQVLVBYIQVSNV-OUJBWJOFSA-N 1 0 298.770 0.804 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc2ncccc2c1 ZINC000262417652 137042913 /nfs/dbraw/zinc/04/29/13/137042913.db2.gz ZUCPXRDQPOZVJG-TZMCWYRMSA-N 1 0 271.320 0.545 10 0 CCAERO CCC[C@@H](NC(N)=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000262586287 137047194 /nfs/dbraw/zinc/04/71/94/137047194.db2.gz OTQNXAPGJKKVGX-LPEHRKFASA-N 1 0 256.350 0.067 10 0 CCAERO CN(C)C(=O)Cn1cc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cn1 ZINC000261700163 137015885 /nfs/dbraw/zinc/01/58/85/137015885.db2.gz IKJQEILKENOBOT-ZYHUDNBSSA-N 1 0 293.371 0.285 10 0 CCAERO CCC(=O)N1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261714811 137016743 /nfs/dbraw/zinc/01/67/43/137016743.db2.gz JLYQQAHNBPYPGV-IJLUTSLNSA-N 1 0 267.373 0.489 10 0 CCAERO C[C@H]([NH3+])CC(=O)N1CCN(Cc2ccon2)CC1 ZINC000261782421 137020166 /nfs/dbraw/zinc/02/01/66/137020166.db2.gz 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O=C(C[C@@H]1COCC[NH2+]1)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000262323907 137037778 /nfs/dbraw/zinc/03/77/78/137037778.db2.gz DBFVRTVLHLUOEP-RDBSUJKOSA-N 1 0 292.383 0.862 10 0 CCAERO C[C@H](C(=O)NC[C@H]1C[NH2+]C[C@H]1O)c1ccsc1 ZINC000262330347 137038482 /nfs/dbraw/zinc/03/84/82/137038482.db2.gz SFJYALSVGDNOKC-JMJZKYOTSA-N 1 0 254.355 0.548 10 0 CCAERO C[C@H]1C[C@@H](C(=O)NC[C@@H]2CN(C3CC3)CCO2)CC[NH2+]1 ZINC000262334912 137038652 /nfs/dbraw/zinc/03/86/52/137038652.db2.gz FMVGMNYUJZAFGN-SGMGOOAPSA-N 1 0 281.400 0.354 10 0 CCAERO CN1CC[NH2+]C[C@@H]1c1noc(C[C@H]2CCCCO2)n1 ZINC000263256303 137061897 /nfs/dbraw/zinc/06/18/97/137061897.db2.gz QNOMVSPNRFKDHS-GHMZBOCLSA-N 1 0 266.345 0.757 10 0 CCAERO COC(=O)[C@@H](CNC(=O)C1C[NH2+]C1)Cc1cccc(C)c1 ZINC000263277415 137062460 /nfs/dbraw/zinc/06/24/60/137062460.db2.gz JBTCBWJMVACSNR-CYBMUJFWSA-N 1 0 290.363 0.662 10 0 CCAERO Cc1cnn(CCc2nc([C@@H]3C[NH2+]CCN3C)no2)c1 ZINC000263306118 137063477 /nfs/dbraw/zinc/06/34/77/137063477.db2.gz 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ZINC000263199789 137059928 /nfs/dbraw/zinc/05/99/28/137059928.db2.gz IWOQEHBIFKICAE-NSHDSACASA-N 1 0 286.339 0.980 10 0 CCAERO CC(C)c1cnc(CNC[C@@H]2C[NH2+]C[C@@H]2O)s1 ZINC000263193518 137060244 /nfs/dbraw/zinc/06/02/44/137060244.db2.gz IDRZEKREXABZKD-UWVGGRQHSA-N 1 0 255.387 0.936 10 0 CCAERO Cc1cc(Cc2nc([C@@H]3C[NH2+]CCN3C)no2)n[nH]1 ZINC000263219940 137060361 /nfs/dbraw/zinc/06/03/61/137060361.db2.gz LSANSFILFXINNS-JTQLQIEISA-N 1 0 262.317 0.268 10 0 CCAERO CN1CC[NH2+]C[C@H]1c1noc(-c2ccc(C(N)=O)o2)n1 ZINC000263213627 137060457 /nfs/dbraw/zinc/06/04/57/137060457.db2.gz KODLWXYAXLOLDS-ZETCQYMHSA-N 1 0 277.284 0.005 10 0 CCAERO CN1CC[NH2+]C[C@@H]1c1noc(CCn2cccn2)n1 ZINC000263219370 137060542 /nfs/dbraw/zinc/06/05/42/137060542.db2.gz LNVNBCWZHZNBCX-SNVBAGLBSA-N 1 0 262.317 0.085 10 0 CCAERO COc1c(CNCCC[NH+]2CCC2)c(C)nn1C ZINC000535760160 290840432 /nfs/dbraw/zinc/84/04/32/290840432.db2.gz UKIBQPQZFODPMN-UHFFFAOYSA-N 1 0 252.362 0.923 10 0 CCAERO COCC[NH+]1[C@H](C)CN([C@@H]2CCCCNC2=O)C[C@H]1C ZINC000120293265 349979799 /nfs/dbraw/zinc/97/97/99/349979799.db2.gz ALVCXUMOLVQOJQ-MGPQQGTHSA-N 1 0 283.416 0.696 10 0 CCAERO COc1ccccc1C[C@H]1[NH2+]C[C@H](O)[C@H]1OC(C)=O ZINC000027525316 348100636 /nfs/dbraw/zinc/10/06/36/348100636.db2.gz SPZSFPWRADVWTG-DYEKYZERSA-N 1 0 265.309 0.502 10 0 CCAERO COc1nc(N)ncc1C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC000033886071 348148104 /nfs/dbraw/zinc/14/81/04/348148104.db2.gz DNFKQVGBPQOYGM-VIFPVBQESA-N 1 0 279.344 0.282 10 0 CCAERO COC(=O)c1cc(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)ccc1Cl ZINC000037006048 348177800 /nfs/dbraw/zinc/17/78/00/348177800.db2.gz OXDRKFNKPBFLEY-LDYMZIIASA-N 1 0 298.726 0.788 10 0 CCAERO CC(C)C[C@H]([NH3+])C(=O)NC1CCN(c2ncccn2)CC1 ZINC000037008603 348178686 /nfs/dbraw/zinc/17/86/86/348178686.db2.gz QBRGURRYJBECAL-ZDUSSCGKSA-N 1 0 291.399 0.935 10 0 CCAERO O=C1O[C@@H](CO)CN1c1ccc(N2CC[NH2+]CC2)c(F)c1 ZINC000036375988 348167003 /nfs/dbraw/zinc/16/70/03/348167003.db2.gz DEPCOGNKPYZDHS-LLVKDONJSA-N 1 0 295.314 0.553 10 0 CCAERO CNC(=O)c1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000037016166 348179410 /nfs/dbraw/zinc/17/94/10/348179410.db2.gz JGERLTIVNUKVAK-NSHDSACASA-N 1 0 261.325 0.984 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H](C)NC(C)=O ZINC000253549615 352537648 /nfs/dbraw/zinc/53/76/48/352537648.db2.gz URDDZRDNNNHTJH-RTXFEEFZSA-N 1 0 267.373 0.596 10 0 CCAERO CC[NH2+]C[C@H](O)COc1ccc(CC(N)=O)cc1 ZINC000038218529 348227049 /nfs/dbraw/zinc/22/70/49/348227049.db2.gz BXEVWKYWEMQUHC-NSHDSACASA-N 1 0 252.314 0.064 10 0 CCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000040630330 348239635 /nfs/dbraw/zinc/23/96/35/348239635.db2.gz ARCYTBFGEFBOLA-HUUCEWRRSA-N 1 0 289.379 0.712 10 0 CCAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccc3c(c2)CCO3)C1 ZINC000040633654 348240264 /nfs/dbraw/zinc/24/02/64/348240264.db2.gz VMCMXBJEFOGWLU-VXGBXAGGSA-N 1 0 262.309 0.937 10 0 CCAERO CC[NH+](CC)CCOC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000040166438 348231082 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ZINC000054290648 348548097 /nfs/dbraw/zinc/54/80/97/348548097.db2.gz MIXLYUPRJSSKHG-LBPRGKRZSA-N 1 0 250.346 0.779 10 0 CCAERO [NH3+]CC1(C(=O)N[C@@H]2CCCC[C@H]2O)CCOCC1 ZINC000052008202 348503100 /nfs/dbraw/zinc/50/31/00/348503100.db2.gz XSNGBXGFPUUAOA-GHMZBOCLSA-N 1 0 256.346 0.162 10 0 CCAERO C[NH2+][C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC ZINC000052395788 348508826 /nfs/dbraw/zinc/50/88/26/348508826.db2.gz MPENRFHJSMIBEU-PWSUYJOCSA-N 1 0 264.325 0.495 10 0 CCAERO O=C(Nc1cc(F)c(F)c(F)c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000061119129 348650942 /nfs/dbraw/zinc/65/09/42/348650942.db2.gz IPWFNIUJVLCPQE-MUWHJKNJSA-N 1 0 260.215 0.765 10 0 CCAERO O=C(CC[N@@H+]1CCCN(C2CC2)CC1)N1CCOCC1 ZINC000061040920 348651011 /nfs/dbraw/zinc/65/10/11/348651011.db2.gz XAVOTRUMRSLQHX-UHFFFAOYSA-N 1 0 281.400 0.405 10 0 CCAERO C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([NH3+])CC1 ZINC000058040777 348620447 /nfs/dbraw/zinc/62/04/47/348620447.db2.gz QAJYNFQENSUQLR-VIFPVBQESA-N 1 0 271.361 0.849 10 0 CCAERO CC(=O)Nc1ccc(C)c(S(=O)(=O)NCC[C@@H](C)[NH3+])c1 ZINC000063171086 348679595 /nfs/dbraw/zinc/67/95/95/348679595.db2.gz YWADJMFLBXQNBW-SNVBAGLBSA-N 1 0 299.396 0.969 10 0 CCAERO C[C@H]1C[N@@H+](C2CCN(CC(=O)N(C)C3CC3)CC2)CCO1 ZINC000067457424 348775209 /nfs/dbraw/zinc/77/52/09/348775209.db2.gz BFRCSGWTTYTRCE-ZDUSSCGKSA-N 1 0 295.427 0.792 10 0 CCAERO COC(=O)c1sc(NC(=O)[C@H]2CCC[NH2+]2)nc1C ZINC000067508876 348775849 /nfs/dbraw/zinc/77/58/49/348775849.db2.gz VAEGSCYENULDRW-SSDOTTSWSA-N 1 0 269.326 0.929 10 0 CCAERO CC(C)[N@H+](C)CC(=O)NC[C@@H](C)N1CCOCC1 ZINC000067573039 348777777 /nfs/dbraw/zinc/77/77/77/348777777.db2.gz RNMCSRCJTZMUJW-GFCCVEGCSA-N 1 0 257.378 0.164 10 0 CCAERO CCOC(=O)N1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000070576903 348893479 /nfs/dbraw/zinc/89/34/79/348893479.db2.gz BKQYAIHODLWZST-RYUDHWBXSA-N 1 0 283.372 0.805 10 0 CCAERO CCc1noc(-c2ccc(N3CC[NH2+]CC3)nn2)n1 ZINC000070458437 348890348 /nfs/dbraw/zinc/89/03/48/348890348.db2.gz HAHIQSHLHXWNKQ-UHFFFAOYSA-N 1 0 260.301 0.499 10 0 CCAERO C[C@H](O)[C@H]([NH3+])CNc1ncccc1Br ZINC000070826305 348898428 /nfs/dbraw/zinc/89/84/28/348898428.db2.gz XRXTVBZPDICVCM-POYBYMJQSA-N 1 0 260.135 0.964 10 0 CCAERO CCCN(CC(=O)N(C)C)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079518745 349182652 /nfs/dbraw/zinc/18/26/52/349182652.db2.gz WMOSZXHQIFZBTA-CYBMUJFWSA-N 1 0 255.362 0.455 10 0 CCAERO CC1(C)CC(NC(=O)N2CCO[C@H](CO)C2)CC(C)(C)[NH2+]1 ZINC000078823663 349154737 /nfs/dbraw/zinc/15/47/37/349154737.db2.gz VFRLMCVSCUKETB-LBPRGKRZSA-N 1 0 299.415 0.698 10 0 CCAERO O=S(=O)(Nc1cnn(C2CC[NH2+]CC2)c1)C1CC1 ZINC000080936143 349234423 /nfs/dbraw/zinc/23/44/23/349234423.db2.gz PIDAHYLTQCNIAM-UHFFFAOYSA-N 1 0 270.358 0.712 10 0 CCAERO CCOC(=O)CCCNC(=O)C1CCC([NH3+])CC1 ZINC000081524475 349271732 /nfs/dbraw/zinc/27/17/32/349271732.db2.gz ISYFLEKZRLEPRN-UHFFFAOYSA-N 1 0 256.346 0.963 10 0 CCAERO CN(C)C(=O)c1cc(N(C)[C@H]2CCC[NH2+]C2)ccn1 ZINC000104364153 185984758 /nfs/dbraw/zinc/98/47/58/185984758.db2.gz XEQULAUHOXUOPW-LBPRGKRZSA-N 1 0 262.357 0.972 10 0 CCAERO COCC[N@@H+]1CCN(CN2CC(C)(C)OC2=O)C[C@@H]1C ZINC000124174560 350090712 /nfs/dbraw/zinc/09/07/12/350090712.db2.gz XJJSHRPSVCJSEV-LBPRGKRZSA-N 1 0 285.388 0.827 10 0 CCAERO Cc1nc(CN2CCC[N@H+](CCC3OCCO3)CC2)no1 ZINC000124190398 350091038 /nfs/dbraw/zinc/09/10/38/350091038.db2.gz WBLBKTCULYEOEC-UHFFFAOYSA-N 1 0 296.371 0.649 10 0 CCAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cnn(C)c3)CC2)CCO1 ZINC000124255568 350093052 /nfs/dbraw/zinc/09/30/52/350093052.db2.gz RAFSCYSMYLBBHP-GFCCVEGCSA-N 1 0 292.383 0.745 10 0 CCAERO Ic1cnc(N[C@@H]2CC[NH2+]C2)nc1 ZINC000126245400 350141469 /nfs/dbraw/zinc/14/14/69/350141469.db2.gz XAFHDESQIRFSJN-SSDOTTSWSA-N 1 0 290.108 0.855 10 0 CCAERO C[C@H](O)CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000126752153 350153260 /nfs/dbraw/zinc/15/32/60/350153260.db2.gz KWIGEGQWPTUTRV-WCQYABFASA-N 1 0 250.342 0.656 10 0 CCAERO O[C@H](C[NH2+]CCCn1ccnn1)COCc1ccco1 ZINC000126923921 350157361 /nfs/dbraw/zinc/15/73/61/350157361.db2.gz DVSCNCDADWRABI-GFCCVEGCSA-N 1 0 280.328 0.429 10 0 CCAERO O=C(CC1CCOCC1)NC[C@H]1CN(C2CC2)CCO1 ZINC000127222199 350164221 /nfs/dbraw/zinc/16/42/21/350164221.db2.gz JYLQFRNLJWVJDA-AWEZNQCLSA-N 1 0 282.384 0.783 10 0 CCAERO CCC[C@@H](C(=O)NCCCNS(=O)(=O)CC)[NH+](C)C ZINC000127327613 350166363 /nfs/dbraw/zinc/16/63/63/350166363.db2.gz KZLJJTPMJPGBHU-NSHDSACASA-N 1 0 293.433 0.162 10 0 CCAERO Cc1nc(CN(C)C(=O)C[C@H]2C[NH2+]CCO2)cs1 ZINC000091311254 180132891 /nfs/dbraw/zinc/13/28/91/180132891.db2.gz MXVVALREXIMKNQ-NSHDSACASA-N 1 0 269.370 0.788 10 0 CCAERO CN(C(=O)NC[C@@H]1CN(C)CCO1)C1CCC(CO)CC1 ZINC000127872320 350180051 /nfs/dbraw/zinc/18/00/51/350180051.db2.gz XBSYTDXGXMIPKZ-JXQTWKCFSA-N 1 0 299.415 0.510 10 0 CCAERO CN(Cc1ccccn1)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129606080 350217860 /nfs/dbraw/zinc/21/78/60/350217860.db2.gz JXYYKPKYVCKEPK-UHFFFAOYSA-N 1 0 276.384 0.724 10 0 CCAERO CC(C)C(=O)NCCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105085069 186041494 /nfs/dbraw/zinc/04/14/94/186041494.db2.gz CSCZPXIZNPEYKM-ZDUSSCGKSA-N 1 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OQBRLPCATAOOIZ-LBPRGKRZSA-N 1 0 298.383 0.555 10 0 CCAERO COCCCN(C)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131286228 350270893 /nfs/dbraw/zinc/27/08/93/350270893.db2.gz MWRRMPOIVINPPD-UHFFFAOYSA-N 1 0 257.378 0.165 10 0 CCAERO CC[C@@H](SC)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000131524153 350278281 /nfs/dbraw/zinc/27/82/81/350278281.db2.gz CBETZIAXLVXZBE-WDEREUQCSA-N 1 0 260.403 0.917 10 0 CCAERO CCNC(=O)CN(CC)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000132384586 350305944 /nfs/dbraw/zinc/30/59/44/350305944.db2.gz KMHIZQWYLYHBLP-STQMWFEESA-N 1 0 298.431 0.883 10 0 CCAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](CCOCCO)C2)n1 ZINC000132976385 350321437 /nfs/dbraw/zinc/32/14/37/350321437.db2.gz ZIULUFAYGMLNRC-AWEZNQCLSA-N 1 0 282.388 0.616 10 0 CCAERO C[NH2+]C[C@@H](C)C(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000092134038 180331574 /nfs/dbraw/zinc/33/15/74/180331574.db2.gz ADTDESXKODJDLT-GHMZBOCLSA-N 1 0 255.362 0.359 10 0 CCAERO COc1cc(OC)nc(NCC2CC[NH2+]CC2)n1 ZINC000135008594 350381932 /nfs/dbraw/zinc/38/19/32/350381932.db2.gz RSCYLFVKWDJGQL-UHFFFAOYSA-N 1 0 252.318 0.905 10 0 CCAERO COC(=O)[C@@H]1CCCCN1C(=O)C[C@@H]([NH3+])C(C)C ZINC000136383729 350421474 /nfs/dbraw/zinc/42/14/74/350421474.db2.gz GEOJAAIEPITUTD-MNOVXSKESA-N 1 0 256.346 0.914 10 0 CCAERO CC[C@H]1CN(CC(=O)NC2CC2)CC[N@@H+]1CCOC ZINC000105836077 186075571 /nfs/dbraw/zinc/07/55/71/186075571.db2.gz GRPWDKVFPTUKHL-ZDUSSCGKSA-N 1 0 269.389 0.308 10 0 CCAERO COCC[N@@H+]1CCN(CCN2CCCC2=O)C[C@H]1C ZINC000105833740 186076859 /nfs/dbraw/zinc/07/68/59/186076859.db2.gz JPWPGEKGGJFNMW-CYBMUJFWSA-N 1 0 269.389 0.261 10 0 CCAERO CC[C@H]1CN(CCC(=O)OC)CC[N@@H+]1CCOC ZINC000105914586 186089432 /nfs/dbraw/zinc/08/94/32/186089432.db2.gz DYQHSKVLVZXYTQ-LBPRGKRZSA-N 1 0 258.362 0.592 10 0 CCAERO CCOCC[N@@H+]1CCN(CCC(=O)OC)C[C@@H]1CC ZINC000105914940 186089540 /nfs/dbraw/zinc/08/95/40/186089540.db2.gz ACMJASDEYOPRTJ-ZDUSSCGKSA-N 1 0 272.389 0.982 10 0 CCAERO CCn1c(C)nnc1CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000105924324 186090243 /nfs/dbraw/zinc/09/02/43/186090243.db2.gz MYAPZZGOFXSLKZ-LBPRGKRZSA-N 1 0 267.377 0.369 10 0 CCAERO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)Nc1ccccc1 ZINC000105932686 186092802 /nfs/dbraw/zinc/09/28/02/186092802.db2.gz MIYVZQLVOCKRAD-GXTWGEPZSA-N 1 0 277.368 0.934 10 0 CCAERO O=C(NCc1cc(F)ccc1F)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000107929435 186198023 /nfs/dbraw/zinc/19/80/23/186198023.db2.gz BCUJFJHRMUQJBC-ONGXEEELSA-N 1 0 256.252 0.304 10 0 CCAERO CCOC(=O)CN(C)C(=O)C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000152913404 350546030 /nfs/dbraw/zinc/54/60/30/350546030.db2.gz WTRGXVFEWCRJMD-CHWSQXEVSA-N 1 0 298.383 0.509 10 0 CCAERO O=C(C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1)NC[C@@H]1CCCO1 ZINC000153160593 350554142 /nfs/dbraw/zinc/55/41/42/350554142.db2.gz MVDUPMXPSCWURP-IHRRRGAJSA-N 1 0 282.384 0.783 10 0 CCAERO Cc1cccc2nc(CNC(=O)[C@H]3CNC(=O)C3)cn21 ZINC000109307029 186246648 /nfs/dbraw/zinc/24/66/48/186246648.db2.gz ZQJLXTLCMBEBDP-SNVBAGLBSA-N 1 0 272.308 0.395 10 0 CCAERO CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000110432511 186295251 /nfs/dbraw/zinc/29/52/51/186295251.db2.gz OTRKUHYBHSRPAM-ZDUSSCGKSA-N 1 0 281.400 0.703 10 0 CCAERO COC(=O)NCCCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000158846963 350663428 /nfs/dbraw/zinc/66/34/28/350663428.db2.gz MZQQVSJWTXMWJQ-NEPJUHHUSA-N 1 0 285.388 0.968 10 0 CCAERO CCCNC(=O)CCNC(=O)[C@@H](CCC)[NH+](C)C ZINC000161707200 350727783 /nfs/dbraw/zinc/72/77/83/350727783.db2.gz LVTNZOXRPRCAND-LLVKDONJSA-N 1 0 257.378 0.749 10 0 CCAERO C[NH+](C)C[C@@H](NC(=O)[C@@H]1CCC(=O)N1)c1ccccc1 ZINC000111139823 186357580 /nfs/dbraw/zinc/35/75/80/186357580.db2.gz IMOGIEZYCRLWHW-QWHCGFSZSA-N 1 0 275.352 0.684 10 0 CCAERO Cn1ncc(NCCC[NH3+])c(Br)c1=O ZINC000167901615 350816617 /nfs/dbraw/zinc/81/66/17/350816617.db2.gz XBBKQKGNSQHNAN-UHFFFAOYSA-N 1 0 261.123 0.304 10 0 CCAERO Cc1cnn(C[C@@H]2CN(C(=O)[C@]3(F)CC[NH2+]C3)CCO2)c1 ZINC000168259820 350822496 /nfs/dbraw/zinc/82/24/96/350822496.db2.gz HULDQWRPNXMHCK-JSGCOSHPSA-N 1 0 296.346 0.121 10 0 CCAERO CC(C)(C)CC[NH+]1CCN(C(=O)[C@H]2COCCN2)CC1 ZINC000165699678 350793034 /nfs/dbraw/zinc/79/30/34/350793034.db2.gz MZLYPXFILWRQDU-CYBMUJFWSA-N 1 0 283.416 0.555 10 0 CCAERO C[NH+](C)C[C@@H]1CN(C2CCOCC2)C[C@H]1NC(=O)C1CC1 ZINC000169790882 350840694 /nfs/dbraw/zinc/84/06/94/350840694.db2.gz FKADKHQAQJMTNH-UKRRQHHQSA-N 1 0 295.427 0.554 10 0 CCAERO CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccccc2)C1 ZINC000170683371 350852751 /nfs/dbraw/zinc/85/27/51/350852751.db2.gz CNPMYUMFPILWRA-LBPRGKRZSA-N 1 0 277.324 0.072 10 0 CCAERO Cc1cnn(CC[NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)c1 ZINC000111229107 186371369 /nfs/dbraw/zinc/37/13/69/186371369.db2.gz ABQVTAMBXRRMRH-CYBMUJFWSA-N 1 0 288.355 0.320 10 0 CCAERO CC[NH2+]CCCNc1ncccc1S(C)(=O)=O ZINC000168482813 350827370 /nfs/dbraw/zinc/82/73/70/350827370.db2.gz PILZDGUNQDUWQU-UHFFFAOYSA-N 1 0 257.359 0.897 10 0 CCAERO CC[C@@H](C)NC(=O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000171637648 350923309 /nfs/dbraw/zinc/92/33/09/350923309.db2.gz PMYCEAFVVGJYNS-VXGBXAGGSA-N 1 0 257.378 0.164 10 0 CCAERO C[C@H](C(=O)NC(=O)NC1CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171640769 350923870 /nfs/dbraw/zinc/92/38/70/350923870.db2.gz GZHIKQLZWPHIAP-ZYHUDNBSSA-N 1 0 280.372 0.143 10 0 CCAERO O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)N1CCCCC1 ZINC000171641448 350924498 /nfs/dbraw/zinc/92/44/98/350924498.db2.gz ZYFAYIBXIMKRQT-CYBMUJFWSA-N 1 0 251.374 0.779 10 0 CCAERO O=C(NC[C@@H]1CCCO1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171896354 350941134 /nfs/dbraw/zinc/94/11/34/350941134.db2.gz PWGOXVRKDOJSHI-NEPJUHHUSA-N 1 0 253.346 0.655 10 0 CCAERO Cn1nccc1CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171901511 350941273 /nfs/dbraw/zinc/94/12/73/350941273.db2.gz KAEDRTFFRRHKLX-LBPRGKRZSA-N 1 0 263.345 0.410 10 0 CCAERO Cn1cc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)ccc1=O ZINC000171807397 350935932 /nfs/dbraw/zinc/93/59/32/350935932.db2.gz QXTDQDPSXXYBJY-LBPRGKRZSA-N 1 0 276.340 0.697 10 0 CCAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2cccc(C(N)=O)c2)C1 ZINC000170863315 350870126 /nfs/dbraw/zinc/87/01/26/350870126.db2.gz 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COC[C@H](C)[NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174345575 351080752 /nfs/dbraw/zinc/08/07/52/351080752.db2.gz QHIASLVXWLNTNE-NWDGAFQWSA-N 1 0 280.372 0.848 10 0 CCAERO CCOCCNC(=O)CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000175972397 351151829 /nfs/dbraw/zinc/15/18/29/351151829.db2.gz STFHUARHXJHWMW-QWHCGFSZSA-N 1 0 269.389 0.308 10 0 CCAERO NC(=O)c1c[nH]c(C(=O)N2CCC[N@@H+](C3CC3)CC2)c1 ZINC000176277873 351166782 /nfs/dbraw/zinc/16/67/82/351166782.db2.gz CYMIJTNJFWGYTF-UHFFFAOYSA-N 1 0 276.340 0.424 10 0 CCAERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC1(CO)COC1 ZINC000176974287 351190580 /nfs/dbraw/zinc/19/05/80/351190580.db2.gz UWJNDQKWBIGZAY-AVGNSLFASA-N 1 0 283.368 0.801 10 0 CCAERO C[C@@H](NC(N)=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177233675 351198425 /nfs/dbraw/zinc/19/84/25/351198425.db2.gz NHBQHWPBCANRIN-LLVKDONJSA-N 1 0 296.415 0.957 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC(=O)N(C)C ZINC000177314856 351201120 /nfs/dbraw/zinc/20/11/20/351201120.db2.gz JYCRUWQFGPWYOP-NSHDSACASA-N 1 0 270.377 0.200 10 0 CCAERO Cn1nccc1C[NH2+]C[C@@H]1CN(C2CC2)CCO1 ZINC000177558013 351206687 /nfs/dbraw/zinc/20/66/87/351206687.db2.gz VCVMZFOLSZYJMW-CYBMUJFWSA-N 1 0 250.346 0.373 10 0 CCAERO CC[C@H]1CN([C@@H](C)CN2CCOCC2)CC[N@@H+]1CCOC ZINC000180477958 351286343 /nfs/dbraw/zinc/28/63/43/351286343.db2.gz XKZTXDSFPUGDHI-HOTGVXAUSA-N 1 0 299.459 0.750 10 0 CCAERO COCCCOCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000180782476 351292289 /nfs/dbraw/zinc/29/22/89/351292289.db2.gz GFSWVQMMKCSLRM-CHWSQXEVSA-N 1 0 270.373 0.735 10 0 CCAERO CC(C)OCCNC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000184176515 351404468 /nfs/dbraw/zinc/40/44/68/351404468.db2.gz NONSTTPSPTUBOB-ZDUSSCGKSA-N 1 0 285.388 0.528 10 0 CCAERO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)C1CC1 ZINC000183316266 282750932 /nfs/dbraw/zinc/75/09/32/282750932.db2.gz GAQDTRJCZKSHJP-OLZOCXBDSA-N 1 0 264.373 0.791 10 0 CCAERO CO[C@@H](C)CCC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000183621409 351385408 /nfs/dbraw/zinc/38/54/08/351385408.db2.gz WJVHEHYZKKALSU-NWDGAFQWSA-N 1 0 258.362 0.591 10 0 CCAERO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCC(=O)NCC1CC1 ZINC000183792671 351391738 /nfs/dbraw/zinc/39/17/38/351391738.db2.gz MTDMJIRTTDDHHG-YPMHNXCESA-N 1 0 296.415 0.494 10 0 CCAERO COCc1noc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1 ZINC000182301577 351356986 /nfs/dbraw/zinc/35/69/86/351356986.db2.gz BYZZGJCYMVDSSQ-WDEREUQCSA-N 1 0 266.345 0.885 10 0 CCAERO CC[C@H]1CN(Cc2noc(COC)n2)CC[N@@H+]1CCOC ZINC000182441519 351362549 /nfs/dbraw/zinc/36/25/49/351362549.db2.gz YACZKNGRUMMEKN-LBPRGKRZSA-N 1 0 298.387 0.759 10 0 CCAERO CN(C)C(=O)c1cccc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)c1 ZINC000185179885 351436549 /nfs/dbraw/zinc/43/65/49/351436549.db2.gz NECAFXQBHPHDPA-KGLIPLIRSA-N 1 0 278.352 0.316 10 0 CCAERO Cc1nccn1CCCC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000185187311 351436969 /nfs/dbraw/zinc/43/69/69/351436969.db2.gz BBRXKZFOPOSPCR-OLZOCXBDSA-N 1 0 253.346 0.399 10 0 CCAERO O=C(c1cc[nH]c(=O)c1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186559146 351503635 /nfs/dbraw/zinc/50/36/35/351503635.db2.gz MNQJFANHZITHRO-NSHDSACASA-N 1 0 261.325 0.732 10 0 CCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC(=O)N(C)CC ZINC000186201938 351483986 /nfs/dbraw/zinc/48/39/86/351483986.db2.gz DUTQIYRZFGMJPV-QWHCGFSZSA-N 1 0 296.415 0.733 10 0 CCAERO CCN(C)C(=O)CC[NH+]1CCN(c2cc(C)[nH]n2)CC1 ZINC000187262990 351535970 /nfs/dbraw/zinc/53/59/70/351535970.db2.gz XYXKHJONBCRENF-UHFFFAOYSA-N 1 0 279.388 0.709 10 0 CCAERO O=C(c1[nH]nc2c1C[NH2+]CC2)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000188581070 351609049 /nfs/dbraw/zinc/60/90/49/351609049.db2.gz WHLBIPXFGGPLQN-XFLKPENQSA-N 1 0 290.367 0.288 10 0 CCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)NCCc2ccc(Cl)nc2)C1 ZINC000187825045 351558148 /nfs/dbraw/zinc/55/81/48/351558148.db2.gz NKXDRTKYTSYQHI-WDEREUQCSA-N 1 0 283.759 0.771 10 0 CCAERO O=S(=O)(CC[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000189444444 351680792 /nfs/dbraw/zinc/68/07/92/351680792.db2.gz HQXVSQJCUFDSTA-UTUOFQBUSA-N 1 0 274.386 0.322 10 0 CCAERO CC[NH+](CC)CC(=O)N1CCN(c2cc(C)[nH]n2)CC1 ZINC000189758582 351701178 /nfs/dbraw/zinc/70/11/78/351701178.db2.gz WFOIIKCMXVVZFH-UHFFFAOYSA-N 1 0 279.388 0.709 10 0 CCAERO Cc1ccn(C)c1C(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000189810981 351703790 /nfs/dbraw/zinc/70/37/90/351703790.db2.gz MTTMTAMDWNEBTM-ZDUSSCGKSA-N 1 0 277.368 0.927 10 0 CCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)OCc2ccccc2)C1 ZINC000189303736 351667340 /nfs/dbraw/zinc/66/73/40/351667340.db2.gz KALJGHVCUXAXPP-QWHCGFSZSA-N 1 0 264.325 0.954 10 0 CCAERO CCCS(=O)(=O)CC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000190747855 351733444 /nfs/dbraw/zinc/73/34/44/351733444.db2.gz CUZLBYHGLBFLPL-NSHDSACASA-N 1 0 288.413 0.554 10 0 CCAERO C[C@H]1OCCC[C@@H]1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000191913006 351777942 /nfs/dbraw/zinc/77/79/42/351777942.db2.gz XWRVTWGYADJOAI-OCCSQVGLSA-N 1 0 284.400 0.765 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1nc(N(C)C)no1 ZINC000192720862 351795745 /nfs/dbraw/zinc/79/57/45/351795745.db2.gz IUBPXBUBVKCUDL-GHMZBOCLSA-N 1 0 265.361 0.804 10 0 CCAERO CC(C)[NH2+]CCN1CCC[C@H](Cn2cncn2)C1 ZINC000191495852 351761112 /nfs/dbraw/zinc/76/11/12/351761112.db2.gz ALFVMYXTNOWKFB-ZDUSSCGKSA-N 1 0 251.378 0.988 10 0 CCAERO [NH3+]CC(=O)N1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000121896628 187003717 /nfs/dbraw/zinc/00/37/17/187003717.db2.gz KWKDZVQIRMUTEY-UWVGGRQHSA-N 1 0 270.354 0.358 10 0 CCAERO Cc1cccc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000193476985 351829270 /nfs/dbraw/zinc/82/92/70/351829270.db2.gz CRSHUYRTPUIRGP-LBPRGKRZSA-N 1 0 288.351 0.635 10 0 CCAERO CCCn1c(C)nnc1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193597310 351834620 /nfs/dbraw/zinc/83/46/20/351834620.db2.gz LARAISRHXOVWPZ-BETUJISGSA-N 1 0 263.389 0.990 10 0 CCAERO COCc1noc([C@@H](C)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)n1 ZINC000193631190 351837051 /nfs/dbraw/zinc/83/70/51/351837051.db2.gz AXBXXAAJALUEPH-MXWKQRLJSA-N 1 0 266.345 0.770 10 0 CCAERO C[C@@H](O)C[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000192979129 351806412 /nfs/dbraw/zinc/80/64/12/351806412.db2.gz LKJPHQSVILIEFU-GFCCVEGCSA-N 1 0 252.362 0.309 10 0 CCAERO CN(CC(F)(F)F)C(=O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193654076 351839244 /nfs/dbraw/zinc/83/92/44/351839244.db2.gz FGQWWPULNOLERX-AOOOYVTPSA-N 1 0 279.306 0.501 10 0 CCAERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)nc2)C1 ZINC000124123573 187123516 /nfs/dbraw/zinc/12/35/16/187123516.db2.gz PBQUFDOGXPOUNO-SNVBAGLBSA-N 1 0 296.758 0.836 10 0 CCAERO CCOc1ccc(C[C@H](C)[NH3+])cc1S(N)(=O)=O ZINC000214929813 351932327 /nfs/dbraw/zinc/93/23/27/351932327.db2.gz UDGXUXJVOWWXER-QMMMGPOBSA-N 1 0 258.343 0.622 10 0 CCAERO NC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000195515675 351916149 /nfs/dbraw/zinc/91/61/49/351916149.db2.gz GOTKMNZHVLIHHY-JTQLQIEISA-N 1 0 277.328 0.010 10 0 CCAERO C[C@H](C(=O)N(C)C)[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000195513528 351916633 /nfs/dbraw/zinc/91/66/33/351916633.db2.gz QRWLFFYQZGEJNW-GFCCVEGCSA-N 1 0 294.399 0.532 10 0 CCAERO 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0.661 10 0 CCAERO CCC[C@@H]([NH3+])C(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000236963101 352232935 /nfs/dbraw/zinc/23/29/35/352232935.db2.gz OTYGBNUFOOGAAK-NWDGAFQWSA-N 1 0 255.362 0.093 10 0 CCAERO CCCCCNC(=O)C[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246170518 352351948 /nfs/dbraw/zinc/35/19/48/352351948.db2.gz RUKUMULKUCRDCT-CABCVRRESA-N 1 0 297.443 0.945 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000245480151 352325484 /nfs/dbraw/zinc/32/54/84/352325484.db2.gz XBOVNVXRJMUECB-DGCLKSJQSA-N 1 0 296.415 0.779 10 0 CCAERO CCC[C@H](C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1)[NH+](C)C ZINC000245788550 352338710 /nfs/dbraw/zinc/33/87/10/352338710.db2.gz ILQZLZGQVLISIJ-KFWWJZLASA-N 1 0 297.443 0.896 10 0 CCAERO Cc1nc(C[C@@H]2CCC[N@@H+]([C@H]3CCN(C)C3=O)C2)no1 ZINC000246820491 352383944 /nfs/dbraw/zinc/38/39/44/352383944.db2.gz BZEJWSNRRDNZQP-RYUDHWBXSA-N 1 0 278.356 0.863 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)c1cnn(C)c1 ZINC000246965116 352390726 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O[C@@H]1CCOC[C@H]1[C@@H]1CCC[N@@H+]1CC1(O)CCC1 ZINC000328780689 354248741 /nfs/dbraw/zinc/24/87/41/354248741.db2.gz JFXORIBXVGNXNU-RWMBFGLXSA-N 1 0 255.358 0.763 10 0 CCAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](CCn3cncn3)C2)n1 ZINC000328611133 354235875 /nfs/dbraw/zinc/23/58/75/354235875.db2.gz OFTVSXRMUSBXEH-AWEZNQCLSA-N 1 0 289.387 0.899 10 0 CCAERO Cn1ccc(N2CCC[C@@H]([N@@H+]3CC[C@@H](CCO)C3)C2=O)n1 ZINC000328617162 354238327 /nfs/dbraw/zinc/23/83/27/354238327.db2.gz TYTKMVDVXURXNJ-QWHCGFSZSA-N 1 0 292.383 0.620 10 0 CCAERO C[NH+](C)CCn1ccc(=NC(=O)N2C[C@@H]3CCC[C@H]32)[nH]1 ZINC000329927264 354274255 /nfs/dbraw/zinc/27/42/55/354274255.db2.gz LLXCIMOICPLMOX-NWDGAFQWSA-N 1 0 277.372 0.883 10 0 CCAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCC[C@H]1Cn1ccnn1 ZINC000333772934 354791471 /nfs/dbraw/zinc/79/14/71/354791471.db2.gz CITHRAMGEMFTRV-OLZOCXBDSA-N 1 0 292.387 0.594 10 0 CCAERO CCCc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]32)n2ncnc2n1 ZINC000333648066 354769990 /nfs/dbraw/zinc/76/99/90/354769990.db2.gz JJLDDMCGPKCYCQ-PWSUYJOCSA-N 1 0 272.356 0.875 10 0 CCAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CC[C@@H](n2cccn2)C1 ZINC000333656987 354771797 /nfs/dbraw/zinc/77/17/97/354771797.db2.gz KWELGJSODFYNKQ-QWHCGFSZSA-N 1 0 277.372 0.982 10 0 CCAERO CN(C(=O)NC[C@H]1CCOC(C)(C)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333686250 354776891 /nfs/dbraw/zinc/77/68/91/354776891.db2.gz CDRCSMWSRREKRT-SRVKXCTJSA-N 1 0 285.388 0.166 10 0 CCAERO C[C@H]1OCC[C@H]1NC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000332988122 354741996 /nfs/dbraw/zinc/74/19/96/354741996.db2.gz GFOYEUWHPSSHMS-FDYHWXHSSA-N 1 0 283.372 0.278 10 0 CCAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCO[C@@H](C2CC2)C1 ZINC000333859197 354805645 /nfs/dbraw/zinc/80/56/45/354805645.db2.gz RPKNVQGYIXGYQO-CHWSQXEVSA-N 1 0 267.373 0.949 10 0 CCAERO C[C@]1(CNC(=O)N2CCc3cncnc3C2)CCC[NH2+]C1 ZINC000333861521 354806892 /nfs/dbraw/zinc/80/68/92/354806892.db2.gz SFCADRLYIWQFSZ-HNNXBMFYSA-N 1 0 289.383 0.934 10 0 CCAERO C[C@@]1(CNC(=O)N2CCc3cncnc3C2)CCC[NH2+]C1 ZINC000333861523 354807060 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C[C@H]([NH2+][C@H]1CCC(=O)NC12CCC2)c1nnnn1C ZINC000328713618 202025520 /nfs/dbraw/zinc/02/55/20/202025520.db2.gz SBCRSECLDOMIFM-IUCAKERBSA-N 1 0 264.333 0.902 10 0 CCAERO Cc1noc(CN(C)C(=O)[C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000655527215 412613305 /nfs/dbraw/zinc/61/33/05/412613305.db2.gz KPTCYPXFCYZHNS-ZJUUUORDSA-N 1 0 252.318 0.711 10 0 CCAERO c1cn([C@@H]2COC[C@@H]2[NH2+]C[C@H]2CCSC2)nn1 ZINC000328923390 202116491 /nfs/dbraw/zinc/11/64/91/202116491.db2.gz CWWZXSQCQRLWBL-OUAUKWLOSA-N 1 0 254.359 0.561 10 0 CCAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)[C@H]1CCc2n[nH]nc2C1 ZINC000329014477 202151499 /nfs/dbraw/zinc/15/14/99/202151499.db2.gz JLGLVWZGTOKSNU-MNOVXSKESA-N 1 0 277.372 0.320 10 0 CCAERO CCNC(=O)NC(=O)[C@H](C)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000361940806 357051685 /nfs/dbraw/zinc/05/16/85/357051685.db2.gz CGGBFKMNFAOCKH-RWMBFGLXSA-N 1 0 296.415 0.779 10 0 CCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)CCCn2ccnc2)C1 ZINC000364216450 357098304 /nfs/dbraw/zinc/09/83/04/357098304.db2.gz 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184535604 /nfs/dbraw/zinc/53/56/04/184535604.db2.gz FJHCYPIGOKWLMM-NSHDSACASA-N 1 0 275.418 0.967 10 0 CCAERO CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000037043488 184538961 /nfs/dbraw/zinc/53/89/61/184538961.db2.gz IALSBXSZEGWWGJ-RYUDHWBXSA-N 1 0 277.324 0.098 10 0 CCAERO CCOCCOC[C@@H](O)C[NH2+]CCc1cccnc1 ZINC000037894704 184543912 /nfs/dbraw/zinc/54/39/12/184543912.db2.gz JJWYBPFTAWGBNC-AWEZNQCLSA-N 1 0 268.357 0.628 10 0 CCAERO Cc1conc1NC(=O)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246148352 285006385 /nfs/dbraw/zinc/00/63/85/285006385.db2.gz DLMZIUJBUAJKQH-MWLCHTKSSA-N 1 0 294.355 0.766 10 0 CCAERO CCO[C@@H](C)c1noc(CN2CCO[C@@H](C[NH+](C)C)C2)n1 ZINC000246703161 285029346 /nfs/dbraw/zinc/02/93/46/285029346.db2.gz GDLDJLHIKBMHCE-RYUDHWBXSA-N 1 0 298.387 0.930 10 0 CCAERO CCOCC[N@@H+]1CCN(C(=O)N[C@H]2CCOC2)C[C@@H]1CC ZINC000246587085 285026351 /nfs/dbraw/zinc/02/63/51/285026351.db2.gz NTRWWMNQTSLMNN-KBPBESRZSA-N 1 0 299.415 0.918 10 0 CCAERO 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IIUNEUVWZZWFEU-ZDUSSCGKSA-N 1 0 267.373 0.949 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CC[C@@H](O)C2)C1 ZINC000248885495 285087811 /nfs/dbraw/zinc/08/78/11/285087811.db2.gz HFNAQUUIPJOLBM-FRRDWIJNSA-N 1 0 269.389 0.931 10 0 CCAERO Cc1cccc2c1N(C(=O)C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1)CC2 ZINC000335379361 208320609 /nfs/dbraw/zinc/32/06/09/208320609.db2.gz SDABDGDXZPVORW-YPMHNXCESA-N 1 0 287.363 0.690 10 0 CCAERO COC(=O)[C@](C)(O)CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000251695010 285148846 /nfs/dbraw/zinc/14/88/46/285148846.db2.gz INTIUZUXVWPBOP-NQBHXWOUSA-N 1 0 256.346 0.079 10 0 CCAERO CO[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)CC[C@@H]1C ZINC000251770435 285149330 /nfs/dbraw/zinc/14/93/30/285149330.db2.gz KUHUHLKYKGCVQR-RWMBFGLXSA-N 1 0 270.373 0.327 10 0 CCAERO [NH3+]C[C@H]1CC[C@@H](C(=O)NCc2ccn3ccnc3c2)O1 ZINC000261676350 285156057 /nfs/dbraw/zinc/15/60/57/285156057.db2.gz GRKQSDVNAYWBEI-NEPJUHHUSA-N 1 0 274.324 0.457 10 0 CCAERO CN(C)C(=O)CN1Cc2ccnn2[C@@H](CC[NH+](C)C)C1 ZINC000247960681 256695435 /nfs/dbraw/zinc/69/54/35/256695435.db2.gz FDVKUZKIMPUVEV-ZDUSSCGKSA-N 1 0 279.388 0.280 10 0 CCAERO COCCN1C(=O)C[C@H](C[NH3+])[C@@H]1c1cnn(C(C)C)c1 ZINC000407987098 256866296 /nfs/dbraw/zinc/86/62/96/256866296.db2.gz ZBRLFBDVERYRQO-BXUZGUMPSA-N 1 0 280.372 0.959 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCCn1ccnn1 ZINC000183560965 388757863 /nfs/dbraw/zinc/75/78/63/388757863.db2.gz MEIZVWCYLNSTKV-CYBMUJFWSA-N 1 0 294.403 0.794 10 0 CCAERO CNC(=O)[C@H]([NH2+]C[C@H](O)Cc1ccccc1)C(C)C ZINC000183646042 388759961 /nfs/dbraw/zinc/75/99/61/388759961.db2.gz PVVNIYSZURTSEZ-ZIAGYGMSSA-N 1 0 264.369 0.950 10 0 CCAERO Cc1cc(N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)n2ncnc2n1 ZINC000284450794 388777802 /nfs/dbraw/zinc/77/78/02/388777802.db2.gz CTMWTTZKOPUONF-RYUDHWBXSA-N 1 0 288.355 0.342 10 0 CCAERO CC(C)[C@@](C)(O)C[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000185015808 388782761 /nfs/dbraw/zinc/78/27/61/388782761.db2.gz FUILGAYVLOFABS-AWEZNQCLSA-N 1 0 265.357 0.545 10 0 CCAERO NC(=O)C1CCC([NH2+]C[C@H](O)COCc2ccco2)CC1 ZINC000038091894 388850156 /nfs/dbraw/zinc/85/01/56/388850156.db2.gz ZFTSCFVDNCOKTE-BPCQOVAHSA-N 1 0 296.367 0.791 10 0 CCAERO COC[C@H](C)C[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000187434243 388881364 /nfs/dbraw/zinc/88/13/64/388881364.db2.gz LVBNKYAHTZQSDS-RDBSUJKOSA-N 1 0 256.390 0.921 10 0 CCAERO COC[C@H]([NH2+]C[C@@H](C)N1CCOCC1)C1CCOCC1 ZINC000187728356 388894032 /nfs/dbraw/zinc/89/40/32/388894032.db2.gz XCOBZQJGLSBAQK-HIFRSBDPSA-N 1 0 286.416 0.738 10 0 CCAERO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000187884225 388901624 /nfs/dbraw/zinc/90/16/24/388901624.db2.gz DCLMFHVOIFOXHN-LSDHHAIUSA-N 1 0 292.379 0.865 10 0 CCAERO O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188645505 388935464 /nfs/dbraw/zinc/93/54/64/388935464.db2.gz LPKNCZPZJYMPKA-YNEHKIRRSA-N 1 0 297.374 0.594 10 0 CCAERO CC(C)(C)OC(=O)N1C[C@H](N2CCOCC2)[C@@H](C[NH3+])C1 ZINC000058041344 388935511 /nfs/dbraw/zinc/93/55/11/388935511.db2.gz MCHMILDYUDVJKL-RYUDHWBXSA-N 1 0 285.388 0.513 10 0 CCAERO COc1c(C[NH2+]C[C@@H]2CC[C@@H](O)C2)c(C)nn1C ZINC000188813527 388942533 /nfs/dbraw/zinc/94/25/33/388942533.db2.gz IKCVBCBXPZCUQC-GHMZBOCLSA-N 1 0 253.346 0.988 10 0 CCAERO CC(=O)NC1CN(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC000189957273 388979005 /nfs/dbraw/zinc/97/90/05/388979005.db2.gz CWTMRNLGEUQVMN-GFCCVEGCSA-N 1 0 296.415 0.637 10 0 CCAERO CC[N@H+](CC(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1)C1CC1 ZINC000189989519 388979540 /nfs/dbraw/zinc/97/95/40/388979540.db2.gz MGLOYMVXYHAISF-DZGCQCFKSA-N 1 0 292.383 0.851 10 0 CCAERO CC(=O)NC1CN(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000190238185 388985950 /nfs/dbraw/zinc/98/59/50/388985950.db2.gz BRNFBMKRXFZYMB-WCQYABFASA-N 1 0 282.388 0.389 10 0 CCAERO C[C@@H]1CSCC[N@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC000190407143 388990846 /nfs/dbraw/zinc/99/08/46/388990846.db2.gz ABQYIILPLKSJGX-RYUDHWBXSA-N 1 0 272.414 0.655 10 0 CCAERO CC1CC[NH+](CCNC(=O)N2CCCNC(=O)[C@@H]2C)CC1 ZINC000191242787 389008911 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C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(C)Cc1nnc2n1CCC2 ZINC000384379024 397496127 /nfs/dbraw/zinc/49/61/27/397496127.db2.gz KURHJWLHGYMRGA-MNOVXSKESA-N 1 0 277.372 0.571 10 0 CCAERO CCN1CC[C@@H]([NH2+]CC(C)(C)N2CCOCC2)C1 ZINC000385802090 397500304 /nfs/dbraw/zinc/50/03/04/397500304.db2.gz LZAIEMNNCSZGOU-CYBMUJFWSA-N 1 0 255.406 0.781 10 0 CCAERO CCO[C@]1(C(F)(F)F)CCN(C(=O)CC[NH3+])C1 ZINC000409428705 397524336 /nfs/dbraw/zinc/52/43/36/397524336.db2.gz GYDDVVVNZZCZSS-SECBINFHSA-N 1 0 254.252 0.905 10 0 CCAERO CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C12CCC2 ZINC000262004701 286373795 /nfs/dbraw/zinc/37/37/95/286373795.db2.gz NRMZCHOGDPDSEG-MROQNXINSA-N 1 0 282.384 0.957 10 0 CCAERO COCCC1(C(=O)N2CCO[C@H](C[NH+](C)C)C2)CCC1 ZINC000124958095 292288954 /nfs/dbraw/zinc/28/89/54/292288954.db2.gz SZRXUMQMVFWPSO-CYBMUJFWSA-N 1 0 284.400 0.982 10 0 CCAERO CCO[C@H]1C[C@H]([NH2+]CCS(C)(=O)=O)C12CCOCC2 ZINC000186294192 286540471 /nfs/dbraw/zinc/54/04/71/286540471.db2.gz LIWFDNKLXXPHHX-RYUDHWBXSA-N 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LWUIXOCEFQKAOD-GFCCVEGCSA-N 1 0 270.373 0.816 10 0 CCAERO CC[C@@H]1CN([C@@H](C)CN2CCOCC2)CC[N@@H+]1C[C@@H](C)O ZINC000180477811 287207512 /nfs/dbraw/zinc/20/75/12/287207512.db2.gz VKSPZBKDUHNWGA-ARFHVFGLSA-N 1 0 299.459 0.484 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)C[C@@H](C)OC ZINC000248649007 287230411 /nfs/dbraw/zinc/23/04/11/287230411.db2.gz KFYARHZRUNLOFM-UPJWGTAASA-N 1 0 290.429 0.910 10 0 CCAERO C[NH2+]CCC(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000043600325 411628058 /nfs/dbraw/zinc/62/80/58/411628058.db2.gz GFRZLLWGDVWJKL-SECBINFHSA-N 1 0 285.369 0.121 10 0 CCAERO NC(=O)C[C@@H](N)C(=O)N[C@H]1CCCc2sccc21 ZINC000061365709 411685933 /nfs/dbraw/zinc/68/59/33/411685933.db2.gz CVCLGCCQVSRVEP-BDAKNGLRSA-N 1 0 267.354 0.444 10 0 CCAERO C[C@@H](C(=O)NC(C)(C)C)n1cc(C(C)(C)[NH3+])nn1 ZINC000070118424 411690015 /nfs/dbraw/zinc/69/00/15/411690015.db2.gz UIRMCAURSSRXOF-QMMMGPOBSA-N 1 0 253.350 0.948 10 0 CCAERO COCCCNC(=O)[C@@H](C)n1cc(C(C)(C)[NH3+])nn1 ZINC000070118441 411690819 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Cn1cc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c2ccccc21 ZINC000653138976 412238447 /nfs/dbraw/zinc/23/84/47/412238447.db2.gz PPYZQTWJMNEAJS-QMTHXVAHSA-N 1 0 273.336 0.488 10 0 CCAERO Cc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1O ZINC000653139154 412238619 /nfs/dbraw/zinc/23/86/19/412238619.db2.gz VJMVVVAGDTTWQY-CMPLNLGQSA-N 1 0 250.298 0.011 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000653138781 412238877 /nfs/dbraw/zinc/23/88/77/412238877.db2.gz JTTYJGOABQBLOO-NZEXEKPDSA-N 1 0 250.342 0.285 10 0 CCAERO COCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccncc1 ZINC000035124200 171994568 /nfs/dbraw/zinc/99/45/68/171994568.db2.gz VDSORTGQAFWBDZ-QWRGUYRKSA-N 1 0 251.330 0.883 10 0 CCAERO Cc1cc(CO)oc1C(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000285070846 196190722 /nfs/dbraw/zinc/19/07/22/196190722.db2.gz RMGMAZDOYNMASY-QWHCGFSZSA-N 1 0 294.351 0.625 10 0 CCAERO CNC(=O)CN(C)c1nc2sccn2c1C[NH2+]C ZINC000035430332 172199151 /nfs/dbraw/zinc/19/91/51/172199151.db2.gz LJWUEQIOBZJWEB-UHFFFAOYSA-N 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QIXGZDYGOXPPDA-UHFFFAOYSA-N 1 0 268.361 0.924 10 0 CCAERO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccccc3O)[C@@H]2C1 ZINC000285597055 196337697 /nfs/dbraw/zinc/33/76/97/196337697.db2.gz CGONNORZIBXDCF-OCCSQVGLSA-N 1 0 276.336 0.937 10 0 CCAERO CC[NH2+][C@](C)(C(N)=O)c1ccc2c(c1)OCCO2 ZINC000037447528 173214857 /nfs/dbraw/zinc/21/48/57/173214857.db2.gz YWSVWYUQWOCXMM-ZDUSSCGKSA-N 1 0 250.298 0.768 10 0 CCAERO COC(=O)c1ccc(C)c(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000037508655 173242780 /nfs/dbraw/zinc/24/27/80/173242780.db2.gz OHNNQAHKMSXLGV-PWSUYJOCSA-N 1 0 278.308 0.443 10 0 CCAERO C[C@]([NH2+]C1CC1)(C(N)=O)c1ccc2c(c1)OCCO2 ZINC000037514557 173246295 /nfs/dbraw/zinc/24/62/95/173246295.db2.gz FRUCWAOZBRPDMI-CQSZACIVSA-N 1 0 262.309 0.910 10 0 CCAERO CCCN(CC(=O)N1CCOC1=O)C1CC[NH2+]CC1 ZINC000037539076 173260420 /nfs/dbraw/zinc/26/04/20/173260420.db2.gz SHALVBALTXMNKD-UHFFFAOYSA-N 1 0 269.345 0.429 10 0 CCAERO NC(=O)CN(C(=O)Nc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000037540616 173262131 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CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000660901582 414524583 /nfs/dbraw/zinc/52/45/83/414524583.db2.gz HXXWBWFNWSZVFG-MTVMDMGHSA-N 1 0 259.371 0.577 10 0 CCAERO CC[NH+]1CCC(NC[C@H]2CCCO2)(C(=O)OC)CC1 ZINC000037957148 173899512 /nfs/dbraw/zinc/89/95/12/173899512.db2.gz LBAJLLWLPRNZNO-GFCCVEGCSA-N 1 0 270.373 0.783 10 0 CCAERO CCOC(=O)CC[NH2+]CCCN(CC)S(C)(=O)=O ZINC000038035698 174034144 /nfs/dbraw/zinc/03/41/44/174034144.db2.gz BOQVHVZLHZULTN-UHFFFAOYSA-N 1 0 280.390 0.201 10 0 CCAERO O=C(Nc1cnccn1)[C@H]1CCCN1C1CC[NH2+]CC1 ZINC000038043262 174050059 /nfs/dbraw/zinc/05/00/59/174050059.db2.gz VPACMQYCIFDLJR-GFCCVEGCSA-N 1 0 275.356 0.632 10 0 CCAERO CCC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CCCS(C)(=O)=O ZINC000038048137 174058942 /nfs/dbraw/zinc/05/89/42/174058942.db2.gz JREGPVHQRNNDOF-GHMZBOCLSA-N 1 0 278.418 0.704 10 0 CCAERO NC(=O)c1ccc(C[NH2+]C[C@@H]2COCCO2)c(F)c1 ZINC000038061992 174073283 /nfs/dbraw/zinc/07/32/83/174073283.db2.gz WFSKXRSAYPTJCD-LLVKDONJSA-N 1 0 268.288 0.430 10 0 CCAERO [NH3+]CCCCCCC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000038083762 174093814 /nfs/dbraw/zinc/09/38/14/174093814.db2.gz PEEIKLOSNIWSFQ-NSHDSACASA-N 1 0 276.402 0.447 10 0 CCAERO C[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)C(=O)N1CCCCC1 ZINC000038084077 174094070 /nfs/dbraw/zinc/09/40/70/174094070.db2.gz BSHPCHXCGUKQDG-VXGBXAGGSA-N 1 0 288.413 0.412 10 0 CCAERO CC[NH+]1CCC(N[C@H]2CC(=O)N(C(C)C)C2=O)CC1 ZINC000038098317 174113783 /nfs/dbraw/zinc/11/37/83/174113783.db2.gz ACJPNJSNADLMCV-LBPRGKRZSA-N 1 0 267.373 0.596 10 0 CCAERO CCOC(=O)CN(C(=O)C[NH2+]CC1CC1)C(C)C ZINC000038101234 174116758 /nfs/dbraw/zinc/11/67/58/174116758.db2.gz POJPCISBTKSOGX-UHFFFAOYSA-N 1 0 256.346 0.786 10 0 CCAERO COC(=O)N1CCN(C(=O)CCC[NH2+]C(C)C)CC1 ZINC000038101819 174118039 /nfs/dbraw/zinc/11/80/39/174118039.db2.gz SOBOHYSAJCOBFW-UHFFFAOYSA-N 1 0 271.361 0.675 10 0 CCAERO OCCOCC[NH2+][C@H]1CCN(CCc2ccccc2)C1 ZINC000040671311 174369257 /nfs/dbraw/zinc/36/92/57/174369257.db2.gz QEOHANAVAHDIDI-INIZCTEOSA-N 1 0 278.396 0.902 10 0 CCAERO CCn1c(C)nnc1CN(C)[C@H](C[NH3+])C(F)(F)F ZINC000662333389 414711042 /nfs/dbraw/zinc/71/10/42/414711042.db2.gz XRXUZUQNCAUYPV-MRVPVSSYSA-N 1 0 265.283 0.928 10 0 CCAERO O=C([C@H]1C[C@H]2C[C@H]2C1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000662778320 414784888 /nfs/dbraw/zinc/78/48/88/414784888.db2.gz GOXABGLGAVOSDM-CKIKVBCHSA-N 1 0 250.342 0.622 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)C1CCC2(CC2)CC1 ZINC000662563456 414728700 /nfs/dbraw/zinc/72/87/00/414728700.db2.gz PECNXGHTUSAUPJ-RYUDHWBXSA-N 1 0 252.358 0.653 10 0 CCAERO O=C(c1nc[nH]n1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662597755 414731576 /nfs/dbraw/zinc/73/15/76/414731576.db2.gz ZVXMCFWBLXCCBE-NSHDSACASA-N 1 0 263.345 0.657 10 0 CCAERO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NCCCC1CCC1 ZINC000662666518 414738806 /nfs/dbraw/zinc/73/88/06/414738806.db2.gz PXRIVDLSWGMRSE-LLVKDONJSA-N 1 0 276.402 0.445 10 0 CCAERO CCS(=O)(=O)C1(CNC(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000662706553 414744248 /nfs/dbraw/zinc/74/42/48/414744248.db2.gz DDURQLJFYILQJE-LLVKDONJSA-N 1 0 288.413 0.602 10 0 CCAERO O=C([C@@H]1CNC(=O)C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662845414 414836791 /nfs/dbraw/zinc/83/67/91/414836791.db2.gz IDNCGECNMXQICO-OLZOCXBDSA-N 1 0 279.384 0.361 10 0 CCAERO CN(C(=O)C[C@@H]1CCCO1)[C@@H](C[NH3+])C(F)(F)F ZINC000662978345 414932387 /nfs/dbraw/zinc/93/23/87/414932387.db2.gz PGUWQYZSUKANMY-YUMQZZPRSA-N 1 0 254.252 0.904 10 0 CCAERO Cc1[nH]nc(C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)c1C ZINC000662980250 414932518 /nfs/dbraw/zinc/93/25/18/414932518.db2.gz FWQIMKCKRFZANW-SSDOTTSWSA-N 1 0 264.251 0.988 10 0 CCAERO CN(C(=O)c1cn(C)cn1)[C@@H](C[NH3+])C(F)(F)F ZINC000662985518 414935485 /nfs/dbraw/zinc/93/54/85/414935485.db2.gz WNOOKWXMUFRSCU-ZETCQYMHSA-N 1 0 250.224 0.382 10 0 CCAERO CN(C(=O)Cc1ccn(C)n1)[C@@H](C[NH3+])C(F)(F)F ZINC000662984868 414935973 /nfs/dbraw/zinc/93/59/73/414935973.db2.gz PDLUHXWGYMDIDM-QMMMGPOBSA-N 1 0 264.251 0.311 10 0 CCAERO CCOc1cc(NC[C@H]2C[NH2+]C[C@@H]2O)nc(C)n1 ZINC000663272406 415032132 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PEVJINIPBQVGSN-GRYCIOLGSA-N 1 0 267.373 0.489 10 0 CCAERO C[C@@H]1COCCN1CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261754774 544936412 /nfs/dbraw/zinc/93/64/12/544936412.db2.gz NAUXKTUNMCKKFQ-JHJVBQTASA-N 1 0 269.389 0.198 10 0 CCAERO C[C@H](CS(C)(=O)=O)N(C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261681779 544937099 /nfs/dbraw/zinc/93/70/99/544937099.db2.gz GZPAPXSKMDTYKB-GMTAPVOTSA-N 1 0 276.402 0.253 10 0 CCAERO C[C@@H]1CCC[C@H](CC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)C1 ZINC000261900533 544938291 /nfs/dbraw/zinc/93/82/91/544938291.db2.gz AETOCPXWRQYDGK-VOAKCMCISA-N 1 0 254.374 0.899 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc2ccccc2n1 ZINC000262086027 544939169 /nfs/dbraw/zinc/93/91/69/544939169.db2.gz CQWJMBPHHSASEX-FZMZJTMJSA-N 1 0 271.320 0.545 10 0 CCAERO O=C(COc1ccc(F)cc1F)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262109370 544940976 /nfs/dbraw/zinc/94/09/76/544940976.db2.gz FHEUMFUREXIXEN-KWQFWETISA-N 1 0 286.278 0.040 10 0 CCAERO CC[C@H](Oc1ccccc1F)C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262146590 544941996 /nfs/dbraw/zinc/94/19/96/544941996.db2.gz HOBWTNRMUJTLOQ-DRZSPHRISA-N 1 0 296.342 0.680 10 0 CCAERO COc1ccnc(CN2C[C@H](C)[C@H]([NH3+])C2)c1OC ZINC000300087635 544979272 /nfs/dbraw/zinc/97/92/72/544979272.db2.gz NCBJFZHFIHMSKB-VHSXEESVSA-N 1 0 251.330 0.878 10 0 CCAERO C[C@@H]1C[C@H](O)CN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000333881428 545043992 /nfs/dbraw/zinc/04/39/92/545043992.db2.gz DPIOBOSQZBEAIJ-KSTCHIGDSA-N 1 0 281.400 0.787 10 0 CCAERO NC(=O)[C@]1(O)CCC[N@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000312362024 545013263 /nfs/dbraw/zinc/01/32/63/545013263.db2.gz ZJNNVTHWWQKCAA-WFASDCNBSA-N 1 0 282.384 0.790 10 0 CCAERO O=C(NC[C@H]1CC[NH2+]C1)N[C@H]1COc2ccccc2C1 ZINC000333952295 545044554 /nfs/dbraw/zinc/04/45/54/545044554.db2.gz ZVHILBIQWDACID-WCQYABFASA-N 1 0 275.352 0.899 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CCC(=O)NC2(C)C)C1 ZINC000332720040 545032050 /nfs/dbraw/zinc/03/20/50/545032050.db2.gz LELYCUPZOLCPEJ-NEPJUHHUSA-N 1 0 296.415 0.827 10 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GOWBHOVEGFRGNY-NWDGAFQWSA-N 1 0 252.362 0.927 10 0 CCAERO O[C@H](C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1)C(F)(F)F ZINC000300555474 260219897 /nfs/dbraw/zinc/21/98/97/260219897.db2.gz PJYTWDOZDSMWEV-OPRDCNLKSA-N 1 0 269.263 0.837 10 0 CCAERO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(O)cc2O)C1 ZINC000390008922 262073294 /nfs/dbraw/zinc/07/32/94/262073294.db2.gz SCRLXEUSGPBAJF-VIFPVBQESA-N 1 0 250.298 0.922 10 0 CCAERO C[C@@H]1C[N@@H+]([C@@H]2Cc3ccccc3[C@@H]2O)CCN1CCO ZINC000187691849 274358999 /nfs/dbraw/zinc/35/89/99/274358999.db2.gz QOFMQVVLFUNRFB-WQVCFCJDSA-N 1 0 276.380 0.643 10 0 CCAERO CC(C)(C)OC(=O)N1CCO[C@]2(CO[C@H](C[NH3+])C2)C1 ZINC000091303540 275520200 /nfs/dbraw/zinc/52/02/00/275520200.db2.gz MECDCDBYHFJSDY-GWCFXTLKSA-N 1 0 272.345 0.740 10 0 CCAERO CC(C)c1nnnn1CC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000174149287 276078251 /nfs/dbraw/zinc/07/82/51/276078251.db2.gz ILOQCFIZWNJBHQ-UHFFFAOYSA-N 1 0 292.387 0.493 10 0 CCAERO CC1(C)COC[C@@H]1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000334778198 276139208 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289.426 0.967 10 0 CCAERO COC[C@H](C)NC(=O)C[NH2+][C@@H](CN(C)C)C(C)C ZINC000049291041 522602517 /nfs/dbraw/zinc/60/25/17/522602517.db2.gz JXCXJQLACBEZIV-RYUDHWBXSA-N 1 0 259.394 0.313 10 0 CCAERO COC(=O)CCCS(=O)(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000063194398 523033135 /nfs/dbraw/zinc/03/31/35/523033135.db2.gz BQNWSXIMBZDKOX-GHMZBOCLSA-N 1 0 292.401 0.471 10 0 CCAERO CC[C@]1(C(=O)N2CCCC[C@@H]2C(N)=O)CC[NH2+]C1 ZINC000062894529 523535108 /nfs/dbraw/zinc/53/51/08/523535108.db2.gz XQUSQNFKVXPXGQ-MFKMUULPSA-N 1 0 253.346 0.243 10 0 CCAERO CCn1nc(CNC[C@@H]2C[NH2+]C[C@H]2O)c2ccccc21 ZINC000262148707 523678928 /nfs/dbraw/zinc/67/89/28/523678928.db2.gz QSQUWOFXMQLLBN-IAQYHMDHSA-N 1 0 274.368 0.726 10 0 CCAERO CC[C@@]1(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)CCC[NH2+]C1 ZINC000062854835 523696464 /nfs/dbraw/zinc/69/64/64/523696464.db2.gz IWCHSZMLSXOSFJ-QWHCGFSZSA-N 1 0 288.413 0.460 10 0 CCAERO CN(C(=O)CN[C@H]1CC[N@@H+]2CCCC[C@H]12)C1CC1 ZINC000049564867 523828675 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C[NH+](C)C[C@@H]1CCN(C(=O)NCC(=O)NCC2CC2)C1 ZINC000187815281 351558066 /nfs/dbraw/zinc/55/80/66/351558066.db2.gz WOKPYGMTGOYMSV-LBPRGKRZSA-N 1 0 282.388 0.106 10 0 CCAERO CCN(CCC(=O)OC)C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188916698 351639705 /nfs/dbraw/zinc/63/97/05/351639705.db2.gz BLSNRBKYXDTARV-UHFFFAOYSA-N 1 0 280.328 0.081 10 0 CCAERO Cn1cc(CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)c(C(F)(F)F)n1 ZINC000188970567 351643730 /nfs/dbraw/zinc/64/37/30/351643730.db2.gz AGCQETJUQNKPIZ-JGVFFNPUSA-N 1 0 294.252 0.755 10 0 CCAERO CN(C)c1ncc(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)cn1 ZINC000188974632 351643888 /nfs/dbraw/zinc/64/38/88/351643888.db2.gz HYEUYROQSFJRAD-IONNQARKSA-N 1 0 253.281 0.181 10 0 CCAERO C[C@H](c1nnnn1C)N1CCC(c2ccnn2C)CC1 ZINC000188994854 351644409 /nfs/dbraw/zinc/64/44/09/351644409.db2.gz KMUMNUDPVLBAHN-SNVBAGLBSA-N 1 0 275.360 0.884 10 0 CCAERO COC(=O)N[C@@H](C(=O)N1CC[NH+]2CCC1CC2)C(C)C ZINC000188656681 351614735 /nfs/dbraw/zinc/61/47/35/351614735.db2.gz FXSSSLYZACLHSU-GFCCVEGCSA-N 1 0 283.372 0.674 10 0 CCAERO Cc1csc(N2CCN(C(=O)[C@H]3C[C@H](F)C[NH2+]3)CC2)n1 ZINC000188722903 351622334 /nfs/dbraw/zinc/62/23/34/351622334.db2.gz SSZSESFNXIWRIU-WDEREUQCSA-N 1 0 298.387 0.800 10 0 CCAERO Cc1ccc(NC(=O)CCNC(=O)[C@H]2C[C@H](F)C[NH2+]2)nc1 ZINC000188751418 351624930 /nfs/dbraw/zinc/62/49/30/351624930.db2.gz GDVAIYMNQCYFEU-WDEREUQCSA-N 1 0 294.330 0.535 10 0 CCAERO CC[NH+](CC)CCN1CCCN(CCOC)C(=O)C1 ZINC000190801836 351735453 /nfs/dbraw/zinc/73/54/53/351735453.db2.gz WHRFCXNNTKBQPO-UHFFFAOYSA-N 1 0 271.405 0.509 10 0 CCAERO C[C@H]1OCCC[C@@H]1C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000191551933 351763653 /nfs/dbraw/zinc/76/36/53/351763653.db2.gz IEJBWLYYUKYHRK-CABCVRRESA-N 1 0 297.443 0.897 10 0 CCAERO C[C@H](CNC(=O)[C@H]1CCCO[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000191704351 351768703 /nfs/dbraw/zinc/76/87/03/351768703.db2.gz STKCDJHNOBCMSA-KFWWJZLASA-N 1 0 297.443 0.801 10 0 CCAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)NC)C1 ZINC000193252727 351818668 /nfs/dbraw/zinc/81/86/68/351818668.db2.gz AUDRLRDIQYRNOG-STQMWFEESA-N 1 0 272.389 0.622 10 0 CCAERO NC(=O)CC[C@@H]([NH3+])C(=O)N1CC2(CC2)c2ccccc21 ZINC000193258168 351818827 /nfs/dbraw/zinc/81/88/27/351818827.db2.gz BKLBRMAPFVKTOZ-LLVKDONJSA-N 1 0 273.336 0.658 10 0 CCAERO C[N@H+]1C[C@H]2CN(CCc3nc4ccccc4c(=O)[nH]3)C[C@H]2C1 ZINC000193640345 351838581 /nfs/dbraw/zinc/83/85/81/351838581.db2.gz HBLOANWNXKKCTI-BETUJISGSA-N 1 0 298.390 0.959 10 0 CCAERO C[C@@H](c1nnnn1C1CC1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193596773 351834489 /nfs/dbraw/zinc/83/44/89/351834489.db2.gz OJRNHIIADKZQAM-GARJFASQSA-N 1 0 262.361 0.562 10 0 CCAERO C[C@@H]([NH2+]CC(=O)NCCCN1CCCC1=O)[C@@H]1CCCO1 ZINC000193123172 351812266 /nfs/dbraw/zinc/81/22/66/351812266.db2.gz PQBKNGSOORAOMO-OLZOCXBDSA-N 1 0 297.399 0.272 10 0 CCAERO CCN1CCN(C(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)CC1 ZINC000193129671 351812588 /nfs/dbraw/zinc/81/25/88/351812588.db2.gz KFXKVDHQPNEIAI-RDBSUJKOSA-N 1 0 283.416 0.696 10 0 CCAERO CCCCOC[C@@H](O)C[NH+]1CCC(C(N)=O)CC1 ZINC000193246292 351818108 /nfs/dbraw/zinc/81/81/08/351818108.db2.gz MRQPBWMTXYRCPU-LBPRGKRZSA-N 1 0 258.362 0.361 10 0 CCAERO C[C@@H](C(=O)NCC(F)(F)F)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193657633 351839230 /nfs/dbraw/zinc/83/92/30/351839230.db2.gz NKYVOSDJQMQMOL-LPEHRKFASA-N 1 0 279.306 0.547 10 0 CCAERO CCCC[C@@H](NC(N)=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195044876 351894483 /nfs/dbraw/zinc/89/44/83/351894483.db2.gz YJGPYPMUPGSDPD-CHWSQXEVSA-N 1 0 296.415 0.910 10 0 CCAERO NC(=O)c1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)nc1 ZINC000195450733 351913871 /nfs/dbraw/zinc/91/38/71/351913871.db2.gz UWHJGIVGPMANKL-LLVKDONJSA-N 1 0 274.324 0.101 10 0 CCAERO CC(C)C[NH2+][C@@H]1C[C@H](Cn2cc(C3CC3)nn2)[C@@H](O)[C@H]1O ZINC000225500508 352007174 /nfs/dbraw/zinc/00/71/74/352007174.db2.gz XTCHRLJNEQCXOX-GBOPCIDUSA-N 1 0 294.399 0.511 10 0 CCAERO COc1cc(N)c(OCC[N@H+](C)CCO)c(OC)c1 ZINC000222942736 351984997 /nfs/dbraw/zinc/98/49/97/351984997.db2.gz IAUYBAIWEAUBQY-UHFFFAOYSA-N 1 0 270.329 0.589 10 0 CCAERO [NH3+][C@H]1[C@@H](N2C(=O)c3ccccc3C2=O)[C@H]2OCCC[C@@H]12 ZINC000227471990 352052202 /nfs/dbraw/zinc/05/22/02/352052202.db2.gz IRPIKBFHGSBEGB-LOWDOPEQSA-N 1 0 272.304 0.787 10 0 CCAERO O=c1cc(C[N@H+]2CC[C@H](CCO)C2)nc2ccccn12 ZINC000227574324 352054635 /nfs/dbraw/zinc/05/46/35/352054635.db2.gz GKDFPSQRUGQSPQ-GFCCVEGCSA-N 1 0 273.336 0.899 10 0 CCAERO C[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)C(=O)N1CCCC1 ZINC000226328508 352023135 /nfs/dbraw/zinc/02/31/35/352023135.db2.gz TWRPQJQNSUKXPY-HBNTYKKESA-N 1 0 253.346 0.241 10 0 CCAERO C[C@@H](NC(=O)[C@H]1COCCN1)C(C)(C)C[NH+](C)C ZINC000237442578 352264775 /nfs/dbraw/zinc/26/47/75/352264775.db2.gz KDJUOYDRGUYVRX-GHMZBOCLSA-N 1 0 257.378 0.067 10 0 CCAERO O=C([C@@H]1COCCN1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000237959709 352290796 /nfs/dbraw/zinc/29/07/96/352290796.db2.gz JCGHNYOZYCPWBM-KBPBESRZSA-N 1 0 281.400 0.309 10 0 CCAERO COCc1noc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1 ZINC000245555246 352328911 /nfs/dbraw/zinc/32/89/11/352328911.db2.gz BYZZGJCYMVDSSQ-QWRGUYRKSA-N 1 0 266.345 0.885 10 0 CCAERO C[N@@H+]1CC[C@H](NS(N)(=O)=O)[C@H]1c1ccccc1 ZINC000245687468 352333459 /nfs/dbraw/zinc/33/34/59/352333459.db2.gz WPNCDFYMKSSOON-WDEREUQCSA-N 1 0 255.343 0.225 10 0 CCAERO C[C@@H]1CC[C@@H](C(=O)N2CCO[C@@H](C[NH+](C)C)C2)O1 ZINC000246008712 352344299 /nfs/dbraw/zinc/34/42/99/352344299.db2.gz KQQRNJXHCWFFOZ-WOPDTQHZSA-N 1 0 256.346 0.343 10 0 CCAERO C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246384242 352363362 /nfs/dbraw/zinc/36/33/62/352363362.db2.gz OVXGVEDCKUMPPJ-RYUDHWBXSA-N 1 0 296.415 0.779 10 0 CCAERO CC(C)CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246431099 352366721 /nfs/dbraw/zinc/36/67/21/352366721.db2.gz LFXVAMRJCZRVJI-ZIAGYGMSSA-N 1 0 283.416 0.411 10 0 CCAERO C[C@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1N1CCOCC1 ZINC000246462589 352367680 /nfs/dbraw/zinc/36/76/80/352367680.db2.gz NPAVJAZHAHPZAF-DZGCQCFKSA-N 1 0 295.427 0.555 10 0 CCAERO CCCNC(=O)CN1CC[N@H+](CCOCC)[C@@H](CC)C1 ZINC000247115913 352399905 /nfs/dbraw/zinc/39/99/05/352399905.db2.gz JEQDMNCVEBHLIV-AWEZNQCLSA-N 1 0 285.432 0.945 10 0 CCAERO COC[C@H](C)S(=O)(=O)N1CCN2CCCC[C@H]2C1 ZINC000246633802 352376951 /nfs/dbraw/zinc/37/69/51/352376951.db2.gz DANVXGOAQMOBLK-RYUDHWBXSA-N 1 0 276.402 0.521 10 0 CCAERO C[C@@H](C(=O)NC(C)(C)C)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247131064 352400327 /nfs/dbraw/zinc/40/03/27/352400327.db2.gz KKISOLPDGNUKAE-RYUDHWBXSA-N 1 0 271.405 0.552 10 0 CCAERO CCN1CCO[C@H](C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)C1 ZINC000246736956 352381248 /nfs/dbraw/zinc/38/12/48/352381248.db2.gz AUNHAAHOUQODSG-RDBSUJKOSA-N 1 0 283.416 0.552 10 0 CCAERO Cc1nc(C[C@H]2CCC[N@@H+]([C@H]3CCN(C)C3=O)C2)no1 ZINC000246820468 352384468 /nfs/dbraw/zinc/38/44/68/352384468.db2.gz BZEJWSNRRDNZQP-NEPJUHHUSA-N 1 0 278.356 0.863 10 0 CCAERO CC[C@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)N1CCCC1=O ZINC000246841235 352384836 /nfs/dbraw/zinc/38/48/36/352384836.db2.gz ZAHAHQKTMGVIKV-QWHCGFSZSA-N 1 0 279.384 0.694 10 0 CCAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H]2CN(C)CCO2)C1 ZINC000247012208 352392838 /nfs/dbraw/zinc/39/28/38/352392838.db2.gz HEDQNVGTTGYACA-MGPQQGTHSA-N 1 0 298.431 0.345 10 0 CCAERO COCCCNC(=O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000247005535 352393022 /nfs/dbraw/zinc/39/30/22/352393022.db2.gz XDOKXGNGUGEOAW-ZDUSSCGKSA-N 1 0 269.389 0.309 10 0 CCAERO CC[C@@H]1CN(C[C@@H]2CCCO2)CC[N@@H+]1C[C@H](C)O ZINC000247043415 352394767 /nfs/dbraw/zinc/39/47/67/352394767.db2.gz DYERTGZYWAULPP-MJBXVCDLSA-N 1 0 256.390 0.942 10 0 CCAERO CCN(CC)C(=O)[C@@H](C)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247374625 352412402 /nfs/dbraw/zinc/41/24/02/352412402.db2.gz VDHJKEHMFKHUDB-OLZOCXBDSA-N 1 0 271.405 0.506 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)C[C@H]1CCOC1 ZINC000247467358 352416319 /nfs/dbraw/zinc/41/63/19/352416319.db2.gz RJNRTRRLCPLFNZ-AGIUHOORSA-N 1 0 288.413 0.521 10 0 CCAERO CC(=O)N[C@@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000247182829 352403078 /nfs/dbraw/zinc/40/30/78/352403078.db2.gz NSUYJQVYIYYMNC-LSDHHAIUSA-N 1 0 293.411 0.988 10 0 CCAERO Cc1nccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC000247241066 352405829 /nfs/dbraw/zinc/40/58/29/352405829.db2.gz ZYJFBMGOWPYXRF-HUUCEWRRSA-N 1 0 289.383 0.914 10 0 CCAERO O=S(=O)(CC[NH+]1CCCC1)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000248665036 352453038 /nfs/dbraw/zinc/45/30/38/352453038.db2.gz LCBGWBBKHGSNOZ-YNEHKIRRSA-N 1 0 288.413 0.569 10 0 CCAERO CC(=O)NC1CN(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)C1 ZINC000248777067 352459126 /nfs/dbraw/zinc/45/91/26/352459126.db2.gz BICZSTVTUATSNT-GXFFZTMASA-N 1 0 282.388 0.245 10 0 CCAERO CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000248889526 352465623 /nfs/dbraw/zinc/46/56/23/352465623.db2.gz VTQFPKAHJDOMEQ-ADEWGFFLSA-N 1 0 253.346 0.254 10 0 CCAERO COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)C[C@H]1C ZINC000249150833 352480204 /nfs/dbraw/zinc/48/02/04/352480204.db2.gz XPPVMEVEFKKNEI-JHJVBQTASA-N 1 0 281.356 0.375 10 0 CCAERO COC(=O)c1oc([C@H](C)[N@@H+]2C[C@@H](O)C[C@@H]2CO)cc1C ZINC000249275361 352483273 /nfs/dbraw/zinc/48/32/73/352483273.db2.gz CQVLEDBJGFPKRL-AXFHLTTASA-N 1 0 283.324 0.863 10 0 CCAERO Cc1cncc(C(=O)N2C[C@@H](CO)[C@H]([NH+](C)C)C2)c1 ZINC000257179637 352548447 /nfs/dbraw/zinc/54/84/47/352548447.db2.gz CVRYUDFTJDIQLO-QWHCGFSZSA-N 1 0 263.341 0.385 10 0 CCAERO COC[C@@H](C)C[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000249787056 352501195 /nfs/dbraw/zinc/50/11/95/352501195.db2.gz MGVJZFCDEKPQDM-QWHCGFSZSA-N 1 0 253.346 0.866 10 0 CCAERO COc1c(N)ncnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000250281914 352503536 /nfs/dbraw/zinc/50/35/36/352503536.db2.gz MFHJBUHMTIODIU-JTQLQIEISA-N 1 0 263.345 0.742 10 0 CCAERO CSCc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)ccc1F ZINC000262103709 352578650 /nfs/dbraw/zinc/57/86/50/352578650.db2.gz DWEXGDOKPMXDAU-WCQYABFASA-N 1 0 298.383 0.999 10 0 CCAERO C[C@@H](O)C[N@@H+]1CCN(c2ncnc3nc[nH]c32)C[C@@H]1C ZINC000266179298 352687689 /nfs/dbraw/zinc/68/76/89/352687689.db2.gz AJKRGHOXFYUUTE-VHSXEESVSA-N 1 0 276.344 0.244 10 0 CCAERO C[C@H](O)C[N@@H+]1CCN(c2nccn3cnnc23)C[C@@H]1C ZINC000266451121 352703523 /nfs/dbraw/zinc/70/35/23/352703523.db2.gz NZIKXJRKMPGHHX-QWRGUYRKSA-N 1 0 276.344 0.016 10 0 CCAERO COc1cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)nn1C ZINC000274727994 353156565 /nfs/dbraw/zinc/15/65/65/353156565.db2.gz ZFGWXCSVNDOAHV-WDEREUQCSA-N 1 0 278.356 0.737 10 0 CCAERO CC(C)(CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)c1ccc(F)cc1 ZINC000156197376 188248292 /nfs/dbraw/zinc/24/82/92/188248292.db2.gz TZUQIGVWWVSKDG-OLZOCXBDSA-N 1 0 280.343 0.942 10 0 CCAERO C[C@H]([NH3+])C(=O)N[C@@H](CO)c1cccc(Br)c1 ZINC000158246073 188365155 /nfs/dbraw/zinc/36/51/55/188365155.db2.gz FKZCEHFOGRGTEN-XVKPBYJWSA-N 1 0 287.157 0.946 10 0 CCAERO COCc1nc(C)cc(N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000285173185 353558612 /nfs/dbraw/zinc/55/86/12/353558612.db2.gz UZKPPNPMICVIII-QWHCGFSZSA-N 1 0 292.383 0.841 10 0 CCAERO NC(=O)[C@]1(O)CCC[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000286821393 353612895 /nfs/dbraw/zinc/61/28/95/353612895.db2.gz KKIBUWMLUKDIGY-DOMZBBRYSA-N 1 0 260.337 0.639 10 0 CCAERO CCCCOC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000300296653 354063584 /nfs/dbraw/zinc/06/35/84/354063584.db2.gz YQSHIKABFOLQCH-JHJVBQTASA-N 1 0 273.373 0.905 10 0 CCAERO c1cn([C@@H]2COC[C@@H]2[NH2+][C@H]2CCCSC2)nn1 ZINC000328933889 354251100 /nfs/dbraw/zinc/25/11/00/354251100.db2.gz IUKCPEBWQRGOLG-GARJFASQSA-N 1 0 254.359 0.703 10 0 CCAERO CCOC(=O)CC[C@H](O)C[NH2+]C[C@H](O)C(C)(C)C ZINC000324267540 354230768 /nfs/dbraw/zinc/23/07/68/354230768.db2.gz JOASAKLFGFUHDN-QWRGUYRKSA-N 1 0 261.362 0.687 10 0 CCAERO CC(C)(C)[C@H](O)C[NH2+]C[C@H](O)CN1CCCCC1 ZINC000324483756 354230974 /nfs/dbraw/zinc/23/09/74/354230974.db2.gz JPWNJZWTLSYFKX-QWHCGFSZSA-N 1 0 258.406 0.830 10 0 CCAERO Cn1cc([C@@H]2CC[N@H+](CCN3CCNC3=O)C2)cn1 ZINC000328610705 354236164 /nfs/dbraw/zinc/23/61/64/354236164.db2.gz NXKBKDROOQJWIN-LLVKDONJSA-N 1 0 263.345 0.439 10 0 CCAERO Cc1ccc(S(=O)(=O)N2CCO[C@H]3C[NH2+]C[C@H]32)s1 ZINC000366989841 137924850 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O=C(NC1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)C1)C1CC1 ZINC000333894408 354811759 /nfs/dbraw/zinc/81/17/59/354811759.db2.gz YTQFGZUSMHXNCA-LLVKDONJSA-N 1 0 280.372 0.049 10 0 CCAERO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2C[C@@](C)(O)C2)C1 ZINC000333918383 354816144 /nfs/dbraw/zinc/81/61/44/354816144.db2.gz OEQYUJUZQWZLMS-BZPMIXESSA-N 1 0 269.389 0.931 10 0 CCAERO Cc1ccc2c(c1)CC[C@H]2NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333935242 354818363 /nfs/dbraw/zinc/81/83/63/354818363.db2.gz JHOXITXRWDDXAH-ILXRZTDVSA-N 1 0 289.379 0.956 10 0 CCAERO C[C@H]1C[C@@H](C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC2)CC[N@@H+]1C ZINC000332796274 291045739 /nfs/dbraw/zinc/04/57/39/291045739.db2.gz DZZJSGDGVZTMKS-GZCFXPHUSA-N 1 0 293.411 0.890 10 0 CCAERO CCCN(C)S(=O)(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261895174 283072060 /nfs/dbraw/zinc/07/20/60/283072060.db2.gz VXWIXHWOPOHQJS-JTQLQIEISA-N 1 0 263.407 0.632 10 0 CCAERO O=C(N[C@@H]1CCSC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000336027027 355075881 /nfs/dbraw/zinc/07/58/81/355075881.db2.gz FTQJKVXNBZZLIJ-VXGBXAGGSA-N 1 0 285.413 0.608 10 0 CCAERO CO[C@H]1C[C@@H](C[N@H+](C)CC2(O)CCOCC2)N(C)C1 ZINC000345152295 355797669 /nfs/dbraw/zinc/79/76/69/355797669.db2.gz RZMCTAUYXFKJLY-STQMWFEESA-N 1 0 272.389 0.179 10 0 CCAERO O[C@@H]1CCOC[C@H]1[C@H]1CCC[N@@H+]1CC1(O)CCC1 ZINC000328780690 202053183 /nfs/dbraw/zinc/05/31/83/202053183.db2.gz JFXORIBXVGNXNU-YNEHKIRRSA-N 1 0 255.358 0.763 10 0 CCAERO O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCO[C@@H](CO)C1 ZINC000328793160 202058886 /nfs/dbraw/zinc/05/88/86/202058886.db2.gz ARWFOBFHCGYWNJ-KGLIPLIRSA-N 1 0 282.384 0.613 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000328941939 202123419 /nfs/dbraw/zinc/12/34/19/202123419.db2.gz FLIRDSFJXRQNRM-VXGBXAGGSA-N 1 0 291.399 0.852 10 0 CCAERO c1cn([C@@H]2COC[C@@H]2[NH2+]Cc2cncs2)nn1 ZINC000328942974 202123565 /nfs/dbraw/zinc/12/35/65/202123565.db2.gz LLLKFDIETRMUFM-VHSXEESVSA-N 1 0 251.315 0.464 10 0 CCAERO O=S1(=O)CCC[C@H](C[N@@H+]2CCC[C@H]2Cn2ccnn2)C1 ZINC000328933875 202119920 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CO[C@H](C)CCC(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404045961 357813596 /nfs/dbraw/zinc/81/35/96/357813596.db2.gz CPIJWCTXMSTEFJ-IJLUTSLNSA-N 1 0 256.346 0.391 10 0 CCAERO OCC[NH+]1CCC(NCc2cccc3c2OCO3)CC1 ZINC000399001046 357780319 /nfs/dbraw/zinc/78/03/19/357780319.db2.gz CEDNIDYTUXIBFH-UHFFFAOYSA-N 1 0 278.352 0.962 10 0 CCAERO O=C(C[C@@H]1CCC[NH2+]C1)NCCN1CCCC1=O ZINC000405457992 357826498 /nfs/dbraw/zinc/82/64/98/357826498.db2.gz ZHQIBTNYYOGGOV-NSHDSACASA-N 1 0 253.346 0.115 10 0 CCAERO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000407948210 357830194 /nfs/dbraw/zinc/83/01/94/357830194.db2.gz RNXGDKMAMCXPEK-ZDUSSCGKSA-N 1 0 290.429 0.815 10 0 CCAERO C[C@H](C(=O)N1CCO[C@H](CO)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000408003467 357861358 /nfs/dbraw/zinc/86/13/58/357861358.db2.gz SFBPKXVHVXQJFU-XQHKEYJVSA-N 1 0 270.373 0.467 10 0 CCAERO Cc1nn(C)c(=O)c(C(=O)N2CC[C@@H]([NH+](C)C)C2)c1C ZINC000408036554 357878991 /nfs/dbraw/zinc/87/89/91/357878991.db2.gz UTHSEVYCLNGXFG-LLVKDONJSA-N 1 0 278.356 0.173 10 0 CCAERO CCOc1nnc(CN2CCO[C@H]3CC[N@H+](C)C[C@@H]32)s1 ZINC000408038009 357880145 /nfs/dbraw/zinc/88/01/45/357880145.db2.gz JGAGTGJVFDNSST-QWRGUYRKSA-N 1 0 298.412 0.842 10 0 CCAERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)N[C@@H]2CCCCNC2=O)C1 ZINC000408118159 357925772 /nfs/dbraw/zinc/92/57/72/357925772.db2.gz NSZOTABTCMGOIK-GRYCIOLGSA-N 1 0 282.388 0.437 10 0 CCAERO Cc1cnc(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)c(O)c1 ZINC000408065545 357898645 /nfs/dbraw/zinc/89/86/45/357898645.db2.gz ZMQMPOGVYKPQSW-DGCLKSJQSA-N 1 0 291.351 0.641 10 0 CCAERO CC[C@@H]1C[C@H](C(=O)N2CCC([NH+](C)C)CC2)CC(=O)N1 ZINC000408207175 357971338 /nfs/dbraw/zinc/97/13/38/357971338.db2.gz VQVVDEXQWUWCJV-NWDGAFQWSA-N 1 0 281.400 0.844 10 0 CCAERO C[C@H](C(=O)NC[C@H]1CCCC[C@H]1O)N1CCN(C)CC1 ZINC000408220193 357976963 /nfs/dbraw/zinc/97/69/63/357976963.db2.gz UEFVKWHDRRZTFZ-MGPQQGTHSA-N 1 0 283.416 0.290 10 0 CCAERO COc1nc(C)cc(N2CC[C@H](N3CCOCC3)C2)n1 ZINC000408218828 357977064 /nfs/dbraw/zinc/97/70/64/357977064.db2.gz KBWPAWGRHBRKCB-LBPRGKRZSA-N 1 0 278.356 0.705 10 0 CCAERO Cn1cccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)c1=O ZINC000408233136 357984485 /nfs/dbraw/zinc/98/44/85/357984485.db2.gz SAVQXCTUTSAMDO-SNVBAGLBSA-N 1 0 264.329 0.553 10 0 CCAERO CC[C@H](CO)N1CCN(C(=O)N2CCC(OC)CC2)CC1 ZINC000408282854 358008150 /nfs/dbraw/zinc/00/81/50/358008150.db2.gz BRNCVURUWCKWHY-CYBMUJFWSA-N 1 0 299.415 0.606 10 0 CCAERO CCn1cnc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000408301224 358021363 /nfs/dbraw/zinc/02/13/63/358021363.db2.gz QFPVKIDPBLLCHG-NEPJUHHUSA-N 1 0 298.412 0.760 10 0 CCAERO CCCNS(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000408361147 358051904 /nfs/dbraw/zinc/05/19/04/358051904.db2.gz CQVMZJPAVMPIMO-NSHDSACASA-N 1 0 263.407 0.647 10 0 CCAERO CC[C@@H]1CC[N@@H+]1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000408380797 358064263 /nfs/dbraw/zinc/06/42/63/358064263.db2.gz CSZQQPIXFBEAIH-GHMZBOCLSA-N 1 0 253.346 0.195 10 0 CCAERO CC(C)[C@H](NC(=O)[C@H]1CCCN1C)C(=O)N1CCOCC1 ZINC000408416954 358082042 /nfs/dbraw/zinc/08/20/42/358082042.db2.gz PMYWJVBEBDQTMM-OLZOCXBDSA-N 1 0 297.399 0.080 10 0 CCAERO OC[C@@H]1CN(C2CC[NH2+]CC2)C[C@@H]1C(F)(F)F ZINC000409434396 358112552 /nfs/dbraw/zinc/11/25/52/358112552.db2.gz OZTTUUVLBSBZFT-WPRPVWTQSA-N 1 0 252.280 0.841 10 0 CCAERO O=C1c2ccccc2C(=O)N1Cc1noc([C@@H]2CC[NH2+]C2)n1 ZINC000409442208 358113763 /nfs/dbraw/zinc/11/37/63/358113763.db2.gz UCOFNTGYLDYHET-SECBINFHSA-N 1 0 298.302 0.943 10 0 CCAERO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000372975881 283360007 /nfs/dbraw/zinc/36/00/07/283360007.db2.gz NJXKKSAPOGECSC-MNOVXSKESA-N 1 0 283.372 0.722 10 0 CCAERO NC(=O)c1ccc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)cc1 ZINC000173931447 283376496 /nfs/dbraw/zinc/37/64/96/283376496.db2.gz GJQJAUMCSGIYKZ-HNNXBMFYSA-N 1 0 289.379 0.692 10 0 CCAERO Cc1cc(CCNC(=O)NC2C[NH2+]C2)cc(C)c1O ZINC000569086315 358731404 /nfs/dbraw/zinc/73/14/04/358731404.db2.gz UILIOHQBWDFZOH-UHFFFAOYSA-N 1 0 263.341 0.823 10 0 CCAERO O=C(c1ccc2c(c1)COC2)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000573437887 358966129 /nfs/dbraw/zinc/96/61/29/358966129.db2.gz PSWKAIUZDPRQBS-UONOGXRCSA-N 1 0 274.320 0.530 10 0 CCAERO NC(=O)c1ccc([C@H]2C[NH2+]C[C@@H](CO)C2)c2cc[nH]c21 ZINC000584619364 359181354 /nfs/dbraw/zinc/18/13/54/359181354.db2.gz LLXIXTPCZSGGRB-VHSXEESVSA-N 1 0 273.336 0.952 10 0 CCAERO C[C@@H]1NC(=O)C[C@@H]1N1CCN(C(=O)c2nccs2)CC1 ZINC000584629597 359183451 /nfs/dbraw/zinc/18/34/51/359183451.db2.gz JHCMVRJXLRZJGR-UWVGGRQHSA-N 1 0 294.380 0.178 10 0 CCAERO COC(=O)N1CCC(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000496960255 291182844 /nfs/dbraw/zinc/18/28/44/291182844.db2.gz XFKMKKXCHACTAE-MWLCHTKSSA-N 1 0 269.345 0.189 10 0 CCAERO COC(=O)C1CCC(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000591675218 359635642 /nfs/dbraw/zinc/63/56/42/359635642.db2.gz RDACLZGMQYKEQL-LVFLEHKBSA-N 1 0 268.357 0.962 10 0 CCAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)N1CC2(C1)CCCOC2 ZINC000333680069 291192970 /nfs/dbraw/zinc/19/29/70/291192970.db2.gz OPYJZYKIJYBWSI-VXGBXAGGSA-N 1 0 267.373 0.949 10 0 CCAERO COC(=O)[C@@H]1CCCN(C(=O)C[C@H]2CSCC[NH2+]2)C1 ZINC000593911437 360206917 /nfs/dbraw/zinc/20/69/17/360206917.db2.gz DKMMJSADRIVLSW-MNOVXSKESA-N 1 0 286.397 0.493 10 0 CCAERO COC[C@@]1(C(=O)N2CCC[C@H](C(=O)OC)C2)CCC[NH2+]1 ZINC000593912183 360208325 /nfs/dbraw/zinc/20/83/25/360208325.db2.gz XTJVILHDPQXFMZ-SMDDNHRTSA-N 1 0 284.356 0.167 10 0 CCAERO Cn1cc(C[N@@H+]2CCCN(Cc3cncn3C)CC2)cn1 ZINC000177056584 189024745 /nfs/dbraw/zinc/02/47/45/189024745.db2.gz JRPCTOXUKCYKLU-UHFFFAOYSA-N 1 0 288.399 0.862 10 0 CCAERO CCOC(=O)c1cnc(N[C@@H](C)C[NH2+]C)nc1C ZINC000596032864 360779362 /nfs/dbraw/zinc/77/93/62/360779362.db2.gz PKEZBCJYUYBZAS-QMMMGPOBSA-N 1 0 252.318 0.982 10 0 CCAERO CCn1cc(C(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000179342308 189186865 /nfs/dbraw/zinc/18/68/65/189186865.db2.gz QUMRKBPNNIPBJW-GFCCVEGCSA-N 1 0 276.340 0.392 10 0 CCAERO Nc1c(-n2cccn2)ncnc1N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000333496149 283649065 /nfs/dbraw/zinc/64/90/65/283649065.db2.gz HILIPXXPOVZSOR-SDDRHHMPSA-N 1 0 299.382 0.808 10 0 CCAERO Nc1c(-n2cccn2)ncnc1N1CC[C@]2(CC[NH2+]C2)C1 ZINC000333921852 283649138 /nfs/dbraw/zinc/64/91/38/283649138.db2.gz QYHANBXKIIZGQI-AWEZNQCLSA-N 1 0 285.355 0.434 10 0 CCAERO C[NH2+][C@@H](C)CNC(=O)c1ncoc1[C@@H]1CCCO1 ZINC000261679823 283652285 /nfs/dbraw/zinc/65/22/85/283652285.db2.gz HMSHQOMUEJVAEF-IUCAKERBSA-N 1 0 253.302 0.864 10 0 CCAERO CCCCOC[C@@H](O)C[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000564320241 291274232 /nfs/dbraw/zinc/27/42/32/291274232.db2.gz YVEBJJLDISAANC-MNOVXSKESA-N 1 0 267.391 0.187 10 0 CCAERO [NH3+]CC1(C(=O)NCC[C@@H]2CC2(F)F)CCOCC1 ZINC000621674189 366827315 /nfs/dbraw/zinc/82/73/15/366827315.db2.gz OGCXAUSYNSZLNV-SECBINFHSA-N 1 0 262.300 0.903 10 0 CCAERO COC[C@]1(C(=O)NCC[C@H]2CC2(F)F)CCC[NH2+]1 ZINC000621674717 366828194 /nfs/dbraw/zinc/82/81/94/366828194.db2.gz APVPNNBXNZBLKK-ONGXEEELSA-N 1 0 262.300 0.917 10 0 CCAERO Cc1cc(NC(=O)CN2C[C@@H](C)[C@@H](C[NH3+])C2)on1 ZINC000631840482 370706113 /nfs/dbraw/zinc/70/61/13/370706113.db2.gz CLUXDKLLUAJZTB-SCZZXKLOSA-N 1 0 252.318 0.448 10 0 CCAERO C[C@@H]1CN(CC(=O)N2CCC[C@@H](C)C2)C[C@@H]1C[NH3+] ZINC000631838280 370704655 /nfs/dbraw/zinc/70/46/55/370704655.db2.gz LKWYZIFYKYYNIZ-UPJWGTAASA-N 1 0 253.390 0.772 10 0 CCAERO C[C@H]1CN(Cc2nnnn2-c2ccccc2)C[C@H]1C[NH3+] ZINC000631843893 370710281 /nfs/dbraw/zinc/71/02/81/370710281.db2.gz SZJCSURSQONTMF-NWDGAFQWSA-N 1 0 272.356 0.689 10 0 CCAERO COCc1nc2n(n1)C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)CC2 ZINC000330184910 202643229 /nfs/dbraw/zinc/64/32/29/202643229.db2.gz IUMJCMKBNXTIFK-GARJFASQSA-N 1 0 250.346 0.985 10 0 CCAERO CC1CCN(C(=O)NCC2(O)CC[NH+](C)CC2)CC1 ZINC000335679644 212399455 /nfs/dbraw/zinc/39/94/55/212399455.db2.gz YNHNGAISEXNEAL-UHFFFAOYSA-N 1 0 269.389 0.885 10 0 CCAERO CC(C)(C)OC(=O)NCC[C@@H]1COCC[N@H+](CCO)C1 ZINC000616660829 365414305 /nfs/dbraw/zinc/41/43/05/365414305.db2.gz PHVGUZBWBLMVIB-LBPRGKRZSA-N 1 0 288.388 0.842 10 0 CCAERO COC(=O)N1CC[NH2+]C[C@H]1c1ccccc1CO ZINC000616635158 365393628 /nfs/dbraw/zinc/39/36/28/365393628.db2.gz CHSSNZLEDNAETL-LBPRGKRZSA-N 1 0 250.298 0.892 10 0 CCAERO CC(C)(C)OC(=O)NCC[C@H]1C[NH2+]CCN1CCO ZINC000616636815 365397375 /nfs/dbraw/zinc/39/73/75/365397375.db2.gz DJLDSGQRDNKKET-NSHDSACASA-N 1 0 273.377 0.167 10 0 CCAERO [NH3+]CCN1CCO[C@@H](c2ccc3nnccc3c2)C1 ZINC000616647688 365406563 /nfs/dbraw/zinc/40/65/63/365406563.db2.gz YMLQKPDDLGYMBW-CQSZACIVSA-N 1 0 258.325 0.962 10 0 CCAERO CC(C)(C)OC(=O)NC[C@]1(CO)COCC(C)(C)[NH2+]1 ZINC000616582116 365374399 /nfs/dbraw/zinc/37/43/99/365374399.db2.gz DNMMTQPLHVGHQB-ZDUSSCGKSA-N 1 0 274.361 0.641 10 0 CCAERO NC(=O)c1cccc([C@H]2CC[N@H+](CCO)CCO2)c1 ZINC000616594020 365377378 /nfs/dbraw/zinc/37/73/78/365377378.db2.gz BUYLKJCZLZRVAT-CYBMUJFWSA-N 1 0 264.325 0.541 10 0 CCAERO [NH3+]CCN1CCOCC[C@@H]1c1cccc(CO)c1 ZINC000616599138 365379590 /nfs/dbraw/zinc/37/95/90/365379590.db2.gz OZXKOWBUCCBJRB-CQSZACIVSA-N 1 0 250.342 0.901 10 0 CCAERO COc1c(C[NH2+]C[C@@H]2COCCN2C)c(C)nn1C ZINC000623710497 367626822 /nfs/dbraw/zinc/62/68/22/367626822.db2.gz DQIQMUPNSFTKPX-LLVKDONJSA-N 1 0 268.361 0.157 10 0 CCAERO NC(=O)c1cccc(C[NH2+][C@H]2CCOC[C@@H]2O)c1 ZINC000623765307 367651630 /nfs/dbraw/zinc/65/16/30/367651630.db2.gz QOQZCBGRWQDVJC-RYUDHWBXSA-N 1 0 250.298 0.025 10 0 CCAERO CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCOC[C@@H]2O)cc1 ZINC000623765246 367652268 /nfs/dbraw/zinc/65/22/68/367652268.db2.gz PNYGUMBYFGLBLT-OLZOCXBDSA-N 1 0 285.365 0.330 10 0 CCAERO CS(=O)(=O)c1ccc(C[NH2+][C@H]2CCOC[C@H]2O)cc1 ZINC000623765247 367652600 /nfs/dbraw/zinc/65/26/00/367652600.db2.gz PNYGUMBYFGLBLT-QWHCGFSZSA-N 1 0 285.365 0.330 10 0 CCAERO C[C@H]1CN(C(=O)CNC(=O)c2cccc(Cl)c2)C[C@@H]1[NH3+] ZINC000335521508 212210681 /nfs/dbraw/zinc/21/06/81/212210681.db2.gz SGMPLRBASPEISQ-CABZTGNLSA-N 1 0 295.770 0.875 10 0 CCAERO CO[C@H]1C[C@@H](CO)[N@H+](CCOC2CCOCC2)C1 ZINC000625406077 368183915 /nfs/dbraw/zinc/18/39/15/368183915.db2.gz ZIQNWJOKEYYZIX-AAEUAGOBSA-N 1 0 259.346 0.264 10 0 CCAERO O=C(Cc1ccc(F)cc1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000335495431 212174656 /nfs/dbraw/zinc/17/46/56/212174656.db2.gz ITXIIHTWDYYIOG-QWHCGFSZSA-N 1 0 264.300 0.567 10 0 CCAERO C[C@H]1CN(C(=O)Cn2ccc(C(F)(F)F)n2)C[C@H]1[NH3+] ZINC000335483571 212158252 /nfs/dbraw/zinc/15/82/52/212158252.db2.gz NVAJFKJKHRHERU-JGVFFNPUSA-N 1 0 276.262 0.708 10 0 CCAERO COC(=O)[C@](C)(O)C[N@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000330847635 203306889 /nfs/dbraw/zinc/30/68/89/203306889.db2.gz ONRVCOYCONGOIZ-JOYOIKCWSA-N 1 0 255.318 0.337 10 0 CCAERO Cc1cccc(OC[C@H](O)C[NH2+][C@H]2CCOC[C@H]2O)c1 ZINC000629609787 369740393 /nfs/dbraw/zinc/74/03/93/369740393.db2.gz DPNIPZITRDFQKW-VHDGCEQUSA-N 1 0 281.352 0.474 10 0 CCAERO C[C@@H]1CN(C(=O)c2nnn(C(C)(C)C)n2)C[C@H]1C[NH3+] ZINC000630091901 369950950 /nfs/dbraw/zinc/95/09/50/369950950.db2.gz PCCGVNUHHPGAGU-RKDXNWHRSA-N 1 0 266.349 0.095 10 0 CCAERO CO[C@H]1CN(CC(=O)NC2CCCC2)[C@](C)(C[NH3+])C1 ZINC000630355177 370058055 /nfs/dbraw/zinc/05/80/55/370058055.db2.gz FLFCCHZWEQREHY-OCCSQVGLSA-N 1 0 269.389 0.483 10 0 CCAERO CO[C@@H]1CN(S(=O)(=O)CCOC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630358137 370061155 /nfs/dbraw/zinc/06/11/55/370061155.db2.gz HEOCZJMMZKTKFA-NWDGAFQWSA-N 1 0 294.417 0.179 10 0 CCAERO CO[C@H]1CN(S(=O)(=O)CC2CC2)[C@@](C)(C[NH3+])C1 ZINC000630359417 370062037 /nfs/dbraw/zinc/06/20/37/370062037.db2.gz CJUBOQHSCRKZHZ-GHMZBOCLSA-N 1 0 262.375 0.164 10 0 CCAERO CO[C@H]1CN(S(=O)(=O)c2cccs2)[C@](C)(C[NH3+])C1 ZINC000630359342 370062208 /nfs/dbraw/zinc/06/22/08/370062208.db2.gz CJTJQJMKRUDIQJ-KOLCDFICSA-N 1 0 290.410 0.875 10 0 CCAERO CCCCN(C)S(=O)(=O)N1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630359695 370062298 /nfs/dbraw/zinc/06/22/98/370062298.db2.gz MVRKHYGYWVJPRX-VXGBXAGGSA-N 1 0 293.433 0.401 10 0 CCAERO CO[C@@H]1CN(CC(=O)NCc2ccccc2)[C@@](C)(C[NH3+])C1 ZINC000630362382 370064704 /nfs/dbraw/zinc/06/47/04/370064704.db2.gz OYZCBHFCNZDMMQ-GOEBONIOSA-N 1 0 291.395 0.741 10 0 CCAERO CCc1nnc(CN2C[C@H](OC)C[C@@]2(C)C[NH3+])n1C ZINC000630368946 370069661 /nfs/dbraw/zinc/06/96/61/370069661.db2.gz UKHTZTOPKJRYCS-MFKMUULPSA-N 1 0 267.377 0.316 10 0 CCAERO CCc1nnc(CN2C[C@@H](OC)C[C@@]2(C)C[NH3+])n1C ZINC000630368944 370069781 /nfs/dbraw/zinc/06/97/81/370069781.db2.gz UKHTZTOPKJRYCS-GWCFXTLKSA-N 1 0 267.377 0.316 10 0 CCAERO CO[C@@H]1CN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)[C@](C)(C[NH3+])C1 ZINC000630369677 370071462 /nfs/dbraw/zinc/07/14/62/370071462.db2.gz BQNTUPYEMWFUKV-ROEYZRMQSA-N 1 0 252.358 0.997 10 0 CCAERO CO[C@@H]1CN(Cc2cc(C)n(C)n2)[C@](C)(C[NH3+])C1 ZINC000630370325 370072107 /nfs/dbraw/zinc/07/21/07/370072107.db2.gz ZCDFVHFNBVMMAL-STQMWFEESA-N 1 0 252.362 0.667 10 0 CCAERO CO[C@@H]1CN(C(=O)c2cscn2)[C@@](C)(C[NH3+])C1 ZINC000630370955 370072308 /nfs/dbraw/zinc/07/23/08/370072308.db2.gz ITXWGCKDPDDCRO-GZMMTYOYSA-N 1 0 255.343 0.721 10 0 CCAERO CO[C@@H]1CN(C(=O)CC[C@@H]2CCOC2)[C@@](C)(C[NH3+])C1 ZINC000630372731 370074469 /nfs/dbraw/zinc/07/44/69/370074469.db2.gz RQZKGDHNUYBBOK-MBNYWOFBSA-N 1 0 270.373 0.768 10 0 CCAERO CO[C@H]1CN(C(=O)c2cnccc2C)[C@](C)(C[NH3+])C1 ZINC000630375541 370077494 /nfs/dbraw/zinc/07/74/94/370077494.db2.gz RWYANDLUBYLZFA-RISCZKNCSA-N 1 0 263.341 0.968 10 0 CCAERO CO[C@@H]1CN(C(=O)c2c(Cl)cnn2C)[C@@](C)(C[NH3+])C1 ZINC000630376402 370078508 /nfs/dbraw/zinc/07/85/08/370078508.db2.gz WHPUWWUOWDGLOL-QPUJVOFHSA-N 1 0 286.763 0.652 10 0 CCAERO COCC1(CC(=O)N2C[C@H](OC)C[C@@]2(C)C[NH3+])CC1 ZINC000630377758 370080276 /nfs/dbraw/zinc/08/02/76/370080276.db2.gz QHVLFGYTACECSU-YPMHNXCESA-N 1 0 270.373 0.768 10 0 CCAERO CCn1ccnc(N[C@H]2CC[C@H](C[NH3+])CC2)c1=O ZINC000630557432 370169402 /nfs/dbraw/zinc/16/94/02/370169402.db2.gz DNQATHDLEHHYIK-XYPYZODXSA-N 1 0 250.346 0.615 10 0 CCAERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1ccc(C(N)=O)nn1)C2 ZINC000630539786 370157807 /nfs/dbraw/zinc/15/78/07/370157807.db2.gz KZZPUMROFMQKHX-BETUJISGSA-N 1 0 261.329 0.011 10 0 CCAERO COC(=O)[C@@](C)(O)C[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000408182572 284223910 /nfs/dbraw/zinc/22/39/10/284223910.db2.gz KXOKBNAAJRLEAI-YPMHNXCESA-N 1 0 271.357 0.801 10 0 CCAERO CC(=O)N1CCC[C@H](C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)C1 ZINC000337152170 213898065 /nfs/dbraw/zinc/89/80/65/213898065.db2.gz MDPNHNSAYATBSJ-BFHYXJOUSA-N 1 0 281.400 0.844 10 0 CCAERO C[C@@H](CN1CCOCC1)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634765310 372212009 /nfs/dbraw/zinc/21/20/09/372212009.db2.gz PBMOVWNVGMUGLI-YDHLFZDLSA-N 1 0 281.400 0.213 10 0 CCAERO O=C(CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2)NCC(F)(F)F ZINC000634744368 372191707 /nfs/dbraw/zinc/19/17/07/372191707.db2.gz WHFHDTRHFYTWOO-KWQFWETISA-N 1 0 293.289 0.171 10 0 CCAERO CCCNC(=O)CCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634746381 372193847 /nfs/dbraw/zinc/19/38/47/372193847.db2.gz SLNXLZKZMQGGSZ-FZMZJTMJSA-N 1 0 267.373 0.409 10 0 CCAERO CNC(=O)[C@@H]1CCCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634751680 372198254 /nfs/dbraw/zinc/19/82/54/372198254.db2.gz VWHPZGJHTXNLLQ-XUJVJEKNSA-N 1 0 279.384 0.361 10 0 CCAERO C[C@@H](O)C[C@H](C)CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634757061 372203402 /nfs/dbraw/zinc/20/34/02/372203402.db2.gz KUGYRUYXEOIMJB-OPDFLTKYSA-N 1 0 254.374 0.899 10 0 CCAERO Cc1cnn(CC[NH2+][C@@H]2CCCS(=O)(=O)CC2)c1 ZINC000634959967 372311735 /nfs/dbraw/zinc/31/17/35/372311735.db2.gz GSBCFCHFULOUAT-GFCCVEGCSA-N 1 0 271.386 0.748 10 0 CCAERO C[C@@H]1C[C@@H](NC(=O)N2CCO[C@@H](CO)C2)C[N@@H+]1C1CC1 ZINC000333073785 205007026 /nfs/dbraw/zinc/00/70/26/205007026.db2.gz KSSTZSRHUQIZEJ-NQBHXWOUSA-N 1 0 283.372 0.014 10 0 CCAERO Cc1ccnc(NC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000333190302 205103022 /nfs/dbraw/zinc/10/30/22/205103022.db2.gz UVWXAQZDGVQEKA-CYBMUJFWSA-N 1 0 289.383 0.901 10 0 CCAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)N[C@@H]3CCSC3)C[C@H]12 ZINC000333444227 205325117 /nfs/dbraw/zinc/32/51/17/205325117.db2.gz WNBAFRKQEKSKCB-CHWFTXMASA-N 1 0 255.387 0.871 10 0 CCAERO C[C@@H]1OCC[C@@H]1NC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000333514801 205394172 /nfs/dbraw/zinc/39/41/72/205394172.db2.gz GAPVJFQXAKMIEV-GMXVVIOVSA-N 1 0 255.362 0.853 10 0 CCAERO O=C(NC[C@@H]1CNC(=O)C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000334137850 206046735 /nfs/dbraw/zinc/04/67/35/206046735.db2.gz ZUTITXLLMDEUKX-NWDGAFQWSA-N 1 0 280.372 0.002 10 0 CCAERO CC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCc3nccn3C2)C1 ZINC000334128654 206036674 /nfs/dbraw/zinc/03/66/74/206036674.db2.gz RPGXSIDGZKPJPI-STQMWFEESA-N 1 0 291.399 0.839 10 0 CCAERO CC(C)CC[C@@H]([NH3+])C(=O)N1CCn2ccnc2C1 ZINC000638096751 374659979 /nfs/dbraw/zinc/65/99/79/374659979.db2.gz LHHNVLJFMXHXSP-LLVKDONJSA-N 1 0 250.346 0.989 10 0 CCAERO CC(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000638167300 374746715 /nfs/dbraw/zinc/74/67/15/374746715.db2.gz KUJLAQNGLWUKRJ-CYDGBPFRSA-N 1 0 265.357 0.193 10 0 CCAERO CC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000638205629 374792747 /nfs/dbraw/zinc/79/27/47/374792747.db2.gz JLZUBIZKAKLRON-KGYLQXTDSA-N 1 0 269.389 0.794 10 0 CCAERO CCOC[C@@H]1CN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CCO1 ZINC000638603398 375183087 /nfs/dbraw/zinc/18/30/87/375183087.db2.gz SDVHGMVGNMXHPX-XQQFMLRXSA-N 1 0 270.373 0.768 10 0 CCAERO CCOC[C@H]1CN(C(=O)C2CCC([NH3+])CC2)CCO1 ZINC000638603769 375183932 /nfs/dbraw/zinc/18/39/32/375183932.db2.gz VANCYDFOPUTHGG-WXRRBKDZSA-N 1 0 270.373 0.768 10 0 CCAERO CCOC[C@H]1CN(C(=O)[C@@]2(C)CCCC[NH2+]2)CCO1 ZINC000638604277 375184209 /nfs/dbraw/zinc/18/42/09/375184209.db2.gz FVHLUIULJWCPLI-TZMCWYRMSA-N 1 0 270.373 0.783 10 0 CCAERO CCC(F)(F)C(C)(C)CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000638597104 375177663 /nfs/dbraw/zinc/17/76/63/375177663.db2.gz CIFKVAKEGAQUFV-RKDXNWHRSA-N 1 0 264.316 0.897 10 0 CCAERO CCOC[C@@H]1CN(C(=O)[C@H]([NH3+])[C@H](C)CC)CCO1 ZINC000638601189 375181505 /nfs/dbraw/zinc/18/15/05/375181505.db2.gz BBQRXPGPIHILBT-GRYCIOLGSA-N 1 0 258.362 0.624 10 0 CCAERO CCC(C)(C)CCNC(=O)[C@H]([NH3+])CCS(C)(=O)=O ZINC000638865753 375415483 /nfs/dbraw/zinc/41/54/83/375415483.db2.gz ISKOZTMAZKORKR-SNVBAGLBSA-N 1 0 278.418 0.691 10 0 CCAERO Cc1nc(N(C)CC(C)(C)[NH3+])sc1S(N)(=O)=O ZINC000656608174 412835213 /nfs/dbraw/zinc/83/52/13/412835213.db2.gz ARHWCXUQSCRESJ-UHFFFAOYSA-N 1 0 278.403 0.272 10 0 CCAERO C[C@@H]1CN(C(=O)c2c(Cl)cnn2C)C[C@H]1C[NH3+] ZINC000638906224 375443606 /nfs/dbraw/zinc/44/36/06/375443606.db2.gz UEVHQVRSHGJMQZ-HTQZYQBOSA-N 1 0 256.737 0.740 10 0 CCAERO CN(CC(C)(C)[NH3+])c1cnn(C)c(=O)c1Br ZINC000656608690 412835519 /nfs/dbraw/zinc/83/55/19/412835519.db2.gz KRTBPFSTEOWWSO-UHFFFAOYSA-N 1 0 289.177 0.716 10 0 CCAERO CN(Cc1ncc[nH]1)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000639016865 375520570 /nfs/dbraw/zinc/52/05/70/375520570.db2.gz OQHPDJWTMDAMMM-HTQZYQBOSA-N 1 0 276.262 0.766 10 0 CCAERO CCn1ccnc1Cn1cc(CC[NH2+]CCOC)nn1 ZINC000641023000 376679971 /nfs/dbraw/zinc/67/99/71/376679971.db2.gz DEAJWRANCCPNHJ-UHFFFAOYSA-N 1 0 278.360 0.321 10 0 CCAERO OC[C@]1(O)CCC[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000313643640 249000764 /nfs/dbraw/zinc/00/07/64/249000764.db2.gz SDTCGFDJRYRHKR-HOTGVXAUSA-N 1 0 295.379 0.383 10 0 CCAERO Cc1ccc(C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)cc1O ZINC000514736194 249101689 /nfs/dbraw/zinc/10/16/89/249101689.db2.gz IKGZFXMUOXBBON-WCQYABFASA-N 1 0 262.309 0.513 10 0 CCAERO O=C(c1ccco1)N1CCC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000020184168 296267035 /nfs/dbraw/zinc/26/70/35/296267035.db2.gz OUUXUMVQYZZAAA-NSHDSACASA-N 1 0 277.324 0.316 10 0 CCAERO NS(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000187779574 295281980 /nfs/dbraw/zinc/28/19/80/295281980.db2.gz KDJQEPUYVYJOFA-VXGBXAGGSA-N 1 0 286.401 0.635 10 0 CCAERO O=C1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)CN1 ZINC000261968720 284810595 /nfs/dbraw/zinc/81/05/95/284810595.db2.gz QHJYTFXJJBEDHX-UMSGYPCISA-N 1 0 267.373 0.012 10 0 CCAERO C[N@@H+]1CCN(C(=O)C[C@@H]2CCCCNC2=O)C(C)(C)C1 ZINC000334833515 207157330 /nfs/dbraw/zinc/15/73/30/207157330.db2.gz LKULURRIFMQLJL-LBPRGKRZSA-N 1 0 281.400 0.845 10 0 CCAERO C[C@@H]([NH2+]CC(=O)NC1CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000034979748 269704970 /nfs/dbraw/zinc/70/49/70/269704970.db2.gz GYRSYNOEADYJCD-SECBINFHSA-N 1 0 297.380 0.263 10 0 CCAERO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CNC(=O)C1)c1ccco1 ZINC000194882759 284937369 /nfs/dbraw/zinc/93/73/69/284937369.db2.gz AEROOQLURPTCFR-RYUDHWBXSA-N 1 0 293.367 0.915 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CCN(C2CC2)CC1 ZINC000334954686 207349181 /nfs/dbraw/zinc/34/91/81/207349181.db2.gz CXFCEVRQJCMCFX-WCQYABFASA-N 1 0 266.389 0.617 10 0 CCAERO CCN(CCO)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000079495898 284964305 /nfs/dbraw/zinc/96/43/05/284964305.db2.gz MNNQRMBSWBYEEO-GFCCVEGCSA-N 1 0 259.394 0.987 10 0 CCAERO O=C(CSc1ccccc1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000335067811 207578972 /nfs/dbraw/zinc/57/89/72/207578972.db2.gz IAOAZNCFUTYQHA-QWHCGFSZSA-N 1 0 278.377 0.978 10 0 CCAERO CC(=O)NCCC[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246300341 285014227 /nfs/dbraw/zinc/01/42/27/285014227.db2.gz BTWJPUUIUHCBFK-TZMCWYRMSA-N 1 0 269.389 0.165 10 0 CCAERO C[C@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1N1CCOCC1 ZINC000246341414 285016106 /nfs/dbraw/zinc/01/61/06/285016106.db2.gz FIRDGECNHNCRHO-UONOGXRCSA-N 1 0 281.400 0.261 10 0 CCAERO CC[C@@H]1CN(C(=O)[C@H]2CCOC2)CC[N@@H+]1C[C@H](C)O ZINC000246768800 285032000 /nfs/dbraw/zinc/03/20/00/285032000.db2.gz ICOJJFRFFZLGDB-RWMBFGLXSA-N 1 0 270.373 0.327 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cc(F)c(Cl)cc1F ZINC000335162153 207809226 /nfs/dbraw/zinc/80/92/26/207809226.db2.gz PIQYSAQZKLKYIL-KSBSHMNSSA-N 1 0 290.697 0.928 10 0 CCAERO CCc1nnc(CN2CC[N@H+](CCOC)[C@@H](CC)C2)n1C ZINC000247172257 285044425 /nfs/dbraw/zinc/04/44/25/285044425.db2.gz MZOXBTUVZJIIAW-ZDUSSCGKSA-N 1 0 295.431 0.920 10 0 CCAERO CC[C@H](C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1)[NH+](C)C ZINC000247118819 285043143 /nfs/dbraw/zinc/04/31/43/285043143.db2.gz UJEYXHPPEXYYDZ-RWMBFGLXSA-N 1 0 271.405 0.240 10 0 CCAERO CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247525477 285053821 /nfs/dbraw/zinc/05/38/21/285053821.db2.gz ZJPMGWLUWNXLAD-RAIGVLPGSA-N 1 0 299.440 0.753 10 0 CCAERO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000248680696 285074805 /nfs/dbraw/zinc/07/48/05/285074805.db2.gz FIQDSYNJTNUNDZ-MGPQQGTHSA-N 1 0 283.416 0.696 10 0 CCAERO C[C@@H]1CN(C(=O)CN2CCCCC2=O)CC[C@@H]1[NH3+] ZINC000335342071 208231913 /nfs/dbraw/zinc/23/19/13/208231913.db2.gz YXQIKODGLDVZIQ-MNOVXSKESA-N 1 0 253.346 0.195 10 0 CCAERO C[C@@H](C(F)(F)F)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000335370876 208298814 /nfs/dbraw/zinc/29/88/14/208298814.db2.gz ASBGLJNNCCPZRC-ZETCQYMHSA-N 1 0 274.308 0.951 10 0 CCAERO Cc1c(Cl)c(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)nn1C ZINC000335384902 208334162 /nfs/dbraw/zinc/33/41/62/208334162.db2.gz HPFXWPFIXQZKLD-SVRRBLITSA-N 1 0 256.737 0.801 10 0 CCAERO Cc1nn(C)c(C)c1CCC(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000335379151 208318564 /nfs/dbraw/zinc/31/85/64/208318564.db2.gz HHDVVEYBINHOTH-ZANVPECISA-N 1 0 264.373 0.775 10 0 CCAERO C[C@H](O)C[N@@H+]1CCN(C[C@@H](O)CC(F)(F)F)C[C@@H]1C ZINC000248953403 285092466 /nfs/dbraw/zinc/09/24/66/285092466.db2.gz FNWFHOPDQIXGCB-DCAQKATOSA-N 1 0 284.322 0.687 10 0 CCAERO C[C@@H]1CC[C@H](C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)O1 ZINC000249315323 285110553 /nfs/dbraw/zinc/11/05/53/285110553.db2.gz FJKKHUPZOSGJSQ-YNEHKIRRSA-N 1 0 284.400 0.858 10 0 CCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccnn2C)C[C@H]1C ZINC000249484999 285119110 /nfs/dbraw/zinc/11/91/10/285119110.db2.gz XZASBKGKLYHARA-MNOVXSKESA-N 1 0 281.360 0.339 10 0 CCAERO Cc1cc(F)ccc1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000335470546 208534986 /nfs/dbraw/zinc/53/49/86/208534986.db2.gz QGGNLLVAEDUPAT-BXKDBHETSA-N 1 0 252.289 0.444 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H](NC(C)=O)C2)C1 ZINC000249748642 285138513 /nfs/dbraw/zinc/13/85/13/285138513.db2.gz BBNGNFHNCGORLB-ZIAGYGMSSA-N 1 0 296.415 0.781 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C)CN2CCOCC2)C1 ZINC000249771095 285139594 /nfs/dbraw/zinc/13/95/94/285139594.db2.gz SQMAENOEESGXSY-ZIAGYGMSSA-N 1 0 298.431 0.491 10 0 CCAERO CS(=O)(=O)c1ccc(C[NH2+]CC2CC(O)C2)cc1 ZINC000306061099 285173880 /nfs/dbraw/zinc/17/38/80/285173880.db2.gz SMXKBQXLDHJUDK-UHFFFAOYSA-N 1 0 269.366 0.951 10 0 CCAERO CCN1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)C(C)(C)C1=O ZINC000335018179 285307930 /nfs/dbraw/zinc/30/79/30/285307930.db2.gz FBUARTLXTFVQIV-RYUDHWBXSA-N 1 0 281.400 0.973 10 0 CCAERO COCCN1C(=O)C[C@H](C[NH3+])[C@H]1c1cnn(C(C)C)c1 ZINC000407987102 256866178 /nfs/dbraw/zinc/86/61/78/256866178.db2.gz ZBRLFBDVERYRQO-RISCZKNCSA-N 1 0 280.372 0.959 10 0 CCAERO Cc1nnc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000185429746 388803934 /nfs/dbraw/zinc/80/39/34/388803934.db2.gz MQAGONRQGKXVOL-VIFPVBQESA-N 1 0 252.343 0.767 10 0 CCAERO C[C@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)CCO1 ZINC000284521112 388779229 /nfs/dbraw/zinc/77/92/29/388779229.db2.gz LVOWJHQAAZLIBR-UUIJZJDISA-N 1 0 292.383 0.849 10 0 CCAERO C[C@@H]1CN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C[C@@H](C)O1 ZINC000188188468 388917844 /nfs/dbraw/zinc/91/78/44/388917844.db2.gz BBFNOMMOANRUMQ-RKDXNWHRSA-N 1 0 264.329 0.305 10 0 CCAERO C[C@@H](CNC(=O)N1CCCN(C)C(=O)C1)[N@H+](C)C1CC1 ZINC000188301821 388923666 /nfs/dbraw/zinc/92/36/66/388923666.db2.gz WPVPDAXAGKAJQB-NSHDSACASA-N 1 0 282.388 0.343 10 0 CCAERO COC(=O)C1(C(=O)OC)C[NH2+]C[C@H]1c1ccccc1 ZINC000072416648 388962570 /nfs/dbraw/zinc/96/25/70/388962570.db2.gz KCTUQFHCPXGHPO-NSHDSACASA-N 1 0 263.293 0.706 10 0 CCAERO CC(C)c1nnc(CN(C[C@@H](C)O)[C@@H](C)CO)n1C ZINC000190861477 389001076 /nfs/dbraw/zinc/00/10/76/389001076.db2.gz LCHJFZLZBBIKOZ-WDEREUQCSA-N 1 0 270.377 0.502 10 0 CCAERO C[C@H]1CCC[C@H](OC[C@@H](O)C[NH2+]CCOCCO)C1 ZINC000100484935 389071530 /nfs/dbraw/zinc/07/15/30/389071530.db2.gz WLNOJXKVLWQYJS-IHRRRGAJSA-N 1 0 275.389 0.541 10 0 CCAERO CNC(=O)[C@H]([NH2+]Cc1cccnc1OC)C(C)C ZINC000193510107 389071671 /nfs/dbraw/zinc/07/16/71/389071671.db2.gz GVWRBTYVZSXKQB-LLVKDONJSA-N 1 0 251.330 0.950 10 0 CCAERO Cc1cc(NC(=O)CN2CCO[C@H](C[NH+](C)C)C2)on1 ZINC000105925786 389088855 /nfs/dbraw/zinc/08/88/55/389088855.db2.gz OIDTZLAIOAMKQE-LLVKDONJSA-N 1 0 282.344 0.184 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCCO2)C1 ZINC000194137249 389089060 /nfs/dbraw/zinc/08/90/60/389089060.db2.gz UMCDQGIBPBMWGF-RYUDHWBXSA-N 1 0 255.362 0.949 10 0 CCAERO CN1CC[C@](O)(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000358249643 389144692 /nfs/dbraw/zinc/14/46/92/389144692.db2.gz KRECWCBCOLLPTN-OPDFLTKYSA-N 1 0 254.374 0.456 10 0 CCAERO CC[NH+](CC)CCN(CC(C)C)C(=O)[C@H]1CNC(=O)C1 ZINC000110353191 389101117 /nfs/dbraw/zinc/10/11/17/389101117.db2.gz OQCJZQHHWUYOME-CYBMUJFWSA-N 1 0 283.416 0.949 10 0 CCAERO COC(=O)CNC(=O)CC[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000111219405 389103529 /nfs/dbraw/zinc/10/35/29/389103529.db2.gz MDIGPCJSKOTDNW-GFCCVEGCSA-N 1 0 294.355 0.236 10 0 CCAERO C[NH2+][C@H](C)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000311883893 389106135 /nfs/dbraw/zinc/10/61/35/389106135.db2.gz XBNSMZMDCNQULU-UKRRQHHQSA-N 1 0 291.395 0.612 10 0 CCAERO CCCCOC[C@H](O)C[NH2+]C(C)(C)C(=O)NCC ZINC000313049507 389110044 /nfs/dbraw/zinc/11/00/44/389110044.db2.gz SWEJFOHDIVIDPX-LLVKDONJSA-N 1 0 260.378 0.668 10 0 CCAERO C[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)CCS1 ZINC000111690135 389112593 /nfs/dbraw/zinc/11/25/93/389112593.db2.gz IOGVAVFXZLQCMB-MNOVXSKESA-N 1 0 258.387 0.407 10 0 CCAERO CC[N@@H+](CC(=O)N1CCC[C@H](C(N)=O)C1)CC1CC1 ZINC000112210647 389119723 /nfs/dbraw/zinc/11/97/23/389119723.db2.gz VPCYGSQWZUYUID-LBPRGKRZSA-N 1 0 267.373 0.442 10 0 CCAERO COCC[N@@H+]1CCN(CCCC(=O)OC)C[C@H]1C ZINC000116396161 389134143 /nfs/dbraw/zinc/13/41/43/389134143.db2.gz JPXOPJVIWLCYPL-GFCCVEGCSA-N 1 0 258.362 0.592 10 0 CCAERO CN(C)C(=O)C1(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000357696248 389137237 /nfs/dbraw/zinc/13/72/37/389137237.db2.gz VNRXHYJFYPIIEY-WDEREUQCSA-N 1 0 267.373 0.454 10 0 CCAERO CCNc1ncc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)s1 ZINC000129026047 389180797 /nfs/dbraw/zinc/18/07/97/389180797.db2.gz MCLYMGZYGMIVIR-JTQLQIEISA-N 1 0 298.412 0.978 10 0 CCAERO CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@@H](C)[C@@H]2CCOC2)nn1 ZINC000329769833 389198624 /nfs/dbraw/zinc/19/86/24/389198624.db2.gz FPAUAWKFNGMQQJ-OIMNJJJWSA-N 1 0 296.371 0.379 10 0 CCAERO CNC(=O)CNC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000124170625 389159935 /nfs/dbraw/zinc/15/99/35/389159935.db2.gz TUGGSXXELXCYIN-LLVKDONJSA-N 1 0 270.377 0.152 10 0 CCAERO FC(F)(F)c1nnc2ccc(NC3C[NH2+]C3)nn21 ZINC000236127607 389167849 /nfs/dbraw/zinc/16/78/49/389167849.db2.gz QMKXAIQFVHRLPO-UHFFFAOYSA-N 1 0 258.207 0.527 10 0 CCAERO O=C(C[NH2+][C@H]1CCCC[C@@H]1n1cccn1)N1CCOCC1 ZINC000128244646 389176719 /nfs/dbraw/zinc/17/67/19/389176719.db2.gz CHNAILJFBYZKMG-KBPBESRZSA-N 1 0 292.383 0.815 10 0 CCAERO C[C@@H]1COCCN1CC[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000249600815 389256927 /nfs/dbraw/zinc/25/69/27/389256927.db2.gz QLSBQOOIFMLBJK-TZMCWYRMSA-N 1 0 269.389 0.437 10 0 CCAERO CC(C)(C(=O)NCc1ccccc1)N1CC[NH2+]CC1 ZINC000131191961 389210302 /nfs/dbraw/zinc/21/03/02/389210302.db2.gz HRVLTLNPIYGJRI-UHFFFAOYSA-N 1 0 261.369 0.987 10 0 CCAERO CC[C@@H]1CN(C(=O)NC(C)C)CC[N@@H+]1C[C@H](C)O ZINC000245902081 389220517 /nfs/dbraw/zinc/22/05/17/389220517.db2.gz SMBAFUZJRLHESR-NWDGAFQWSA-N 1 0 257.378 0.881 10 0 CCAERO CN(CC[N@@H+]1CCN2C(=O)NC[C@H]2C1)c1ccccc1 ZINC000246405001 389228465 /nfs/dbraw/zinc/22/84/65/389228465.db2.gz UJEGNOYWZORXPK-AWEZNQCLSA-N 1 0 274.368 0.832 10 0 CCAERO C[C@@H]1c2ccccc2O[C@H]1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000246732970 389231225 /nfs/dbraw/zinc/23/12/25/389231225.db2.gz ZQPKJGBEPAKBHO-DJSGYFEHSA-N 1 0 292.379 0.980 10 0 CCAERO COC[C@H](O)C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000346082684 389321709 /nfs/dbraw/zinc/32/17/09/389321709.db2.gz XKCUMESCEJWQKO-RQJABVFESA-N 1 0 273.373 0.246 10 0 CCAERO C[NH2+][C@H](C)CNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000261771634 389276436 /nfs/dbraw/zinc/27/64/36/389276436.db2.gz PITOGKKWJCHOLO-MNOVXSKESA-N 1 0 267.373 0.502 10 0 CCAERO CC[C@H](C(=O)NC[C@@H]1CN(C2CC2)CCO1)[NH+](C)C ZINC000151566659 389277748 /nfs/dbraw/zinc/27/77/48/389277748.db2.gz JJXBSCOZZYAKCZ-CHWSQXEVSA-N 1 0 269.389 0.306 10 0 CCAERO CC1CCC2(CC1)OC[C@H](CNC(=O)C[NH+](C)C)O2 ZINC000152772746 389293115 /nfs/dbraw/zinc/29/31/15/389293115.db2.gz UNEBTMGFNODWOM-LXVYMNJGSA-N 1 0 270.373 0.986 10 0 CCAERO Cc1nc2ccc(N3CC[C@H]4CC[C@@H](C3)[NH2+]4)nn2n1 ZINC000333523218 389416925 /nfs/dbraw/zinc/41/69/25/389416925.db2.gz LBMWNXDRKMTWPK-MNOVXSKESA-N 1 0 258.329 0.763 10 0 CCAERO CN(C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)[C@@H]1CCNC1=O ZINC000333094302 389404483 /nfs/dbraw/zinc/40/44/83/389404483.db2.gz BTTWUHYYWZJHNW-QWHCGFSZSA-N 1 0 294.399 0.533 10 0 CCAERO C[C@H]1C[NH2+]CCN1C(=O)N=c1cc2n([nH]1)CCCC2 ZINC000333273494 389407725 /nfs/dbraw/zinc/40/77/25/389407725.db2.gz GKFJXJRTLQFKLG-JTQLQIEISA-N 1 0 263.345 0.467 10 0 CCAERO CN(C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCNC1=O ZINC000332753648 389365638 /nfs/dbraw/zinc/36/56/38/389365638.db2.gz IDMAAPFOFJUDHU-ZYHUDNBSSA-N 1 0 280.372 0.001 10 0 CCAERO CCN(CC)C(=O)CCCNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170830643 389464364 /nfs/dbraw/zinc/46/43/64/389464364.db2.gz JTEPUBZCIMQARG-CYBMUJFWSA-N 1 0 298.431 0.981 10 0 CCAERO C[NH+](C)[C@H]1CCN(C(=O)CNC(=O)NC2CCCCC2)C1 ZINC000170864748 389466341 /nfs/dbraw/zinc/46/63/41/389466341.db2.gz OHZOCAJPNRDGEJ-ZDUSSCGKSA-N 1 0 296.415 0.781 10 0 CCAERO Cc1ccc(CNC(=O)N[C@@H]2CCCC[NH2+]C2)c(=O)n1C ZINC000333549491 389423340 /nfs/dbraw/zinc/42/33/40/389423340.db2.gz KCXJTIUTPPGIIS-CYBMUJFWSA-N 1 0 292.383 0.635 10 0 CCAERO C[C@H](NC(=O)N[C@@H]1CCO[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000333558349 389425166 /nfs/dbraw/zinc/42/51/66/389425166.db2.gz LBFSKZXSEWLDBC-WHOHXGKFSA-N 1 0 255.362 0.851 10 0 CCAERO O=C(N[C@H]1CCc2ncnn2C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172604765 389491685 /nfs/dbraw/zinc/49/16/85/389491685.db2.gz XPNHNPYAAVXNQC-NWDGAFQWSA-N 1 0 290.371 0.083 10 0 CCAERO C[C@H](NC(=O)N1CC[NH2+]C[C@@H]1C)[C@H]1CCCOC1 ZINC000333579023 389429088 /nfs/dbraw/zinc/42/90/88/389429088.db2.gz NKUJQCHZQMHLFB-SRVKXCTJSA-N 1 0 255.362 0.805 10 0 CCAERO CCc1cc(NC[C@H]2C[NH2+]CCCO2)nc(C)n1 ZINC000333592657 389432975 /nfs/dbraw/zinc/43/29/75/389432975.db2.gz SXHKQYGVTHQBQC-GFCCVEGCSA-N 1 0 250.346 0.560 10 0 CCAERO OC[C@@H]1CCCCN1c1cc(N[C@H]2CCC[NH2+]C2)ncn1 ZINC000333618797 389436537 /nfs/dbraw/zinc/43/65/37/389436537.db2.gz ZCGGPVPYKMREJQ-STQMWFEESA-N 1 0 291.399 0.992 10 0 CCAERO O=C(N[C@@H]1CC[NH2+]C1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000333650415 389438563 /nfs/dbraw/zinc/43/85/63/389438563.db2.gz JRFRSXNZQFJMLE-VXGBXAGGSA-N 1 0 276.340 0.606 10 0 CCAERO CN1CCO[C@@H]2CCN(C(=O)N[C@H]3CCCC[NH2+]C3)C[C@@H]21 ZINC000333776964 389443079 /nfs/dbraw/zinc/44/30/79/389443079.db2.gz DBKROKSWXXLHSD-MELADBBJSA-N 1 0 296.415 0.243 10 0 CCAERO [NH3+]Cc1cn(Cc2nc(CCc3ccccc3)no2)nn1 ZINC000167302279 389445172 /nfs/dbraw/zinc/44/51/72/389445172.db2.gz JVUZBBOORIASIE-UHFFFAOYSA-N 1 0 284.323 0.953 10 0 CCAERO CCCC(=O)N[C@H]1CCC[N@H+](CCCC(=O)NC(N)=O)C1 ZINC000170651708 389457944 /nfs/dbraw/zinc/45/79/44/389457944.db2.gz BKKYXUKHLILSIP-NSHDSACASA-N 1 0 298.387 0.342 10 0 CCAERO CCOC(=O)[C@@H](CC)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000173678283 389507870 /nfs/dbraw/zinc/50/78/70/389507870.db2.gz AXOMEFRCWHAOJT-CHWSQXEVSA-N 1 0 272.389 0.981 10 0 CCAERO CC(C)N(C)C(=O)[C@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000175208292 389538197 /nfs/dbraw/zinc/53/81/97/389538197.db2.gz MWVUDKGPZWOBBU-RYUDHWBXSA-N 1 0 257.378 0.162 10 0 CCAERO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000175271067 389539580 /nfs/dbraw/zinc/53/95/80/389539580.db2.gz LEPHIURZYMALKD-KGLIPLIRSA-N 1 0 283.416 0.648 10 0 CCAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)NCC(=O)N(C)C ZINC000335403233 389552966 /nfs/dbraw/zinc/55/29/66/389552966.db2.gz FCLKDSFANJWHHE-RYUDHWBXSA-N 1 0 282.388 0.343 10 0 CCAERO O=C(NC1CCN(CC(F)(F)F)CC1)[C@H]1CC[NH2+]C1 ZINC000178687278 389615476 /nfs/dbraw/zinc/61/54/76/389615476.db2.gz LVXHJIWNRFFYTA-VIFPVBQESA-N 1 0 279.306 0.739 10 0 CCAERO CC(C)([NH3+])CC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000178780704 389621760 /nfs/dbraw/zinc/62/17/60/389621760.db2.gz IDPJKPZWZBZJFC-NSHDSACASA-N 1 0 266.345 0.238 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)Nc1ccccc1F ZINC000414666281 389624802 /nfs/dbraw/zinc/62/48/02/389624802.db2.gz GBUHDQCLWUWEFR-KCJUWKMLSA-N 1 0 253.277 0.528 10 0 CCAERO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000336196659 389626908 /nfs/dbraw/zinc/62/69/08/389626908.db2.gz KBJRZWAWXQFTGC-WDEREUQCSA-N 1 0 253.346 0.065 10 0 CCAERO CCC[C@@H](C(=O)NCCN1CCOCC1(C)C)[NH+](C)C ZINC000179195209 389644502 /nfs/dbraw/zinc/64/45/02/389644502.db2.gz UUWHIGKBOOMECH-ZDUSSCGKSA-N 1 0 285.432 0.944 10 0 CCAERO CCOC(=O)NCC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000179195886 389644856 /nfs/dbraw/zinc/64/48/56/389644856.db2.gz KTPAZYNUHYEDRJ-GFCCVEGCSA-N 1 0 285.388 0.969 10 0 CCAERO CC(C)[C@H](C(=O)N1CCn2ccnc2C1)[C@@H](C)[NH3+] ZINC000335603448 389576913 /nfs/dbraw/zinc/57/69/13/389576913.db2.gz JCUNGOFKCBCZGK-PWSUYJOCSA-N 1 0 250.346 0.845 10 0 CCAERO Cc1cc([C@H](C)[NH2+][C@H]2CCc3ncnn3C2)nn1C ZINC000281999572 389645180 /nfs/dbraw/zinc/64/51/80/389645180.db2.gz CWRXVAXWMQSGJY-QWRGUYRKSA-N 1 0 260.345 0.986 10 0 CCAERO O=C1NCCCC[C@H]1[N@@H+]1CCCN(C2CC2)CC1 ZINC000179301688 389652556 /nfs/dbraw/zinc/65/25/56/389652556.db2.gz AHLHYWZMXZNQMB-CYBMUJFWSA-N 1 0 251.374 0.825 10 0 CCAERO C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000336570815 389655310 /nfs/dbraw/zinc/65/53/10/389655310.db2.gz SVJUJQQUQUQHSN-YPMHNXCESA-N 1 0 275.352 0.755 10 0 CCAERO CCC[C@@H](C(=O)N1CCc2nn(C)c(=O)cc2C1)[NH+](C)C ZINC000179489721 389658322 /nfs/dbraw/zinc/65/83/22/389658322.db2.gz RYRJPVJRHYOFCD-ZDUSSCGKSA-N 1 0 292.383 0.395 10 0 CCAERO C[N@H+](C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000379758374 389762546 /nfs/dbraw/zinc/76/25/46/389762546.db2.gz AGGLFPRZGRLPIW-IJLUTSLNSA-N 1 0 261.387 0.656 10 0 CCAERO C[C@@H]([NH3+])[C@@H](C)Nc1ccc2nnc(C(F)(F)F)n2n1 ZINC000394588178 389776176 /nfs/dbraw/zinc/77/61/76/389776176.db2.gz SOSJZXOEDULRIM-PHDIDXHHSA-N 1 0 274.250 0.713 10 0 CCAERO CN(Cc1cc[nH]n1)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000399987839 389795373 /nfs/dbraw/zinc/79/53/73/389795373.db2.gz DCBKQMMVFDIZFV-UHFFFAOYSA-N 1 0 265.361 0.052 10 0 CCAERO NC(=O)[C@@]1(O)CCC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC000400594219 389797802 /nfs/dbraw/zinc/79/78/02/389797802.db2.gz ZFNBKBKPRUGTRB-DGCLKSJQSA-N 1 0 256.346 0.115 10 0 CCAERO Cc1noc(CCC[N@@H+]2C[C@@H]3[C@H](C2)OCCN3C)n1 ZINC000352085890 389749399 /nfs/dbraw/zinc/74/93/99/389749399.db2.gz XDYGPBWRDMJDJI-NEPJUHHUSA-N 1 0 266.345 0.325 10 0 CCAERO COC(=O)c1cnc(N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)nc1 ZINC000408025553 389820544 /nfs/dbraw/zinc/82/05/44/389820544.db2.gz CIOLBGDRRIMIEY-RYUDHWBXSA-N 1 0 292.339 0.173 10 0 CCAERO COC(=O)[C@]1(C)CN(C(=O)[C@@H]2C[C@H](OC)C[N@H+]2C)C[C@H]1C ZINC000408050693 389822441 /nfs/dbraw/zinc/82/24/41/389822441.db2.gz KSNGBARTCKIILH-OXJKWZBOSA-N 1 0 298.383 0.363 10 0 CCAERO CC(C)N1CCC[C@@H]([N@@H+]2C[C@@H](C)[C@H](C(N)=O)C2)C1=O ZINC000408047742 389822860 /nfs/dbraw/zinc/82/28/60/389822860.db2.gz IPMMTPUOHNJRKW-IJLUTSLNSA-N 1 0 267.373 0.439 10 0 CCAERO COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000408095266 389826521 /nfs/dbraw/zinc/82/65/21/389826521.db2.gz XQZAISKEFPLBJP-UMSGYPCISA-N 1 0 296.367 0.117 10 0 CCAERO CCCNS(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000408230306 389836635 /nfs/dbraw/zinc/83/66/35/389836635.db2.gz APGZMTPMOCLQDE-NWDGAFQWSA-N 1 0 275.418 0.789 10 0 CCAERO C[C@H](CC[NH+](C)C)NS(=O)(=O)N1C[C@H](C)OC[C@@H]1C ZINC000408238509 389837360 /nfs/dbraw/zinc/83/73/60/389837360.db2.gz SQCNYDGUFWOISY-WOPDTQHZSA-N 1 0 293.433 0.270 10 0 CCAERO CCC[C@@H](C(=O)NCCS(=O)(=O)NC(C)C)[NH+](C)C ZINC000179717737 260064471 /nfs/dbraw/zinc/06/44/71/260064471.db2.gz KOWHZRXEJMJRFY-NSHDSACASA-N 1 0 293.433 0.161 10 0 CCAERO CC(C)Oc1cc(NC[C@H]2C[NH2+]C[C@@H]2O)ncn1 ZINC000420239945 389970801 /nfs/dbraw/zinc/97/08/01/389970801.db2.gz LCFXYIROYFHUSZ-ZJUUUORDSA-N 1 0 252.318 0.256 10 0 CCAERO Cc1cc(Br)cnc1NC[C@@H]1C[NH2+]C[C@H]1O ZINC000420246918 389972535 /nfs/dbraw/zinc/97/25/35/389972535.db2.gz SZRDLIWTOGZULE-WCBMZHEXSA-N 1 0 286.173 0.567 10 0 CCAERO O[C@H]1C[NH2+]C[C@H]1CNc1ccc(OC(F)F)cn1 ZINC000420249970 389973172 /nfs/dbraw/zinc/97/31/72/389973172.db2.gz YMBMPBYAPADWBM-CBAPKCEASA-N 1 0 259.256 0.097 10 0 CCAERO COc1ccc(OC)c([C@@H](O)C[NH2+]C2COC2)c1 ZINC000094710260 184844839 /nfs/dbraw/zinc/84/48/39/184844839.db2.gz AUKNINGFLMRBIL-LBPRGKRZSA-N 1 0 253.298 0.726 10 0 CCAERO CC(C)CN1C[C@@H](C(=O)NC[C@H]2CC[NH2+]C2)CC1=O ZINC000644110034 390135296 /nfs/dbraw/zinc/13/52/96/390135296.db2.gz HMUAYMSPIOZNFH-RYUDHWBXSA-N 1 0 267.373 0.217 10 0 CCAERO COCC[NH2+]C[C@H](O)COCCOc1ccccc1 ZINC000095082311 184938015 /nfs/dbraw/zinc/93/80/15/184938015.db2.gz VAXDNSTWZQXDJT-ZDUSSCGKSA-N 1 0 269.341 0.679 10 0 CCAERO CC(C)(C)[C@H](O)C[NH2+]CCCN1CCCS1(=O)=O ZINC000644536892 390248585 /nfs/dbraw/zinc/24/85/85/390248585.db2.gz LACJFCDPSCVBKS-LLVKDONJSA-N 1 0 278.418 0.409 10 0 CCAERO CN1CCC[C@H](NC(=O)[C@@H]2CCC[C@H]2C[NH3+])C1=O ZINC000648085006 390275387 /nfs/dbraw/zinc/27/53/87/390275387.db2.gz QLDHOIPCLRWTTL-AXFHLTTASA-N 1 0 253.346 0.098 10 0 CCAERO COCCC1(C(=O)N[C@@H]2CO[C@H](C)C2)CC[NH2+]CC1 ZINC000648204753 390341120 /nfs/dbraw/zinc/34/11/20/390341120.db2.gz HPZJJAPBKNQJNO-NEPJUHHUSA-N 1 0 270.373 0.686 10 0 CCAERO CC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCOC2)C[C@@H](C)O1 ZINC000643658911 390493623 /nfs/dbraw/zinc/49/36/23/390493623.db2.gz WQBKEWQUPFTWKG-IJLUTSLNSA-N 1 0 256.346 0.248 10 0 CCAERO COC[C@]1(C(=O)NCc2cc(C)n[nH]2)CCC[NH2+]1 ZINC000643689486 390500975 /nfs/dbraw/zinc/50/09/75/390500975.db2.gz HZYFKALZXLVHFD-LBPRGKRZSA-N 1 0 252.318 0.103 10 0 CCAERO COC[C@]1(C(=O)NC[C@@H](O)CC(C)(C)C)CCC[NH2+]1 ZINC000643706291 390507360 /nfs/dbraw/zinc/50/73/60/390507360.db2.gz RKUWSSGLKHMCEP-FZMZJTMJSA-N 1 0 272.389 0.668 10 0 CCAERO COC[C@]1(C(=O)NC[C@@H]2CCCC[C@H]2O)CCC[NH2+]1 ZINC000643708959 390508450 /nfs/dbraw/zinc/50/84/50/390508450.db2.gz LDLDWLBWRZCFMQ-SCRDCRAPSA-N 1 0 270.373 0.422 10 0 CCAERO COCCC1(C(=O)N(C)C[C@H]2CCOC2)CC[NH2+]CC1 ZINC000643726544 390518607 /nfs/dbraw/zinc/51/86/07/390518607.db2.gz UKPZHZKITSCZBD-CYBMUJFWSA-N 1 0 284.400 0.888 10 0 CCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)CNC(=O)Nc1ccccc1 ZINC000643590561 390464109 /nfs/dbraw/zinc/46/41/09/390464109.db2.gz RCIHPNJKKFGUDO-ZYHUDNBSSA-N 1 0 276.340 0.756 10 0 CCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)CNC(=O)Nc1ccccc1 ZINC000643590558 390464182 /nfs/dbraw/zinc/46/41/82/390464182.db2.gz RCIHPNJKKFGUDO-CMPLNLGQSA-N 1 0 276.340 0.756 10 0 CCAERO COC[C@]1(C(=O)N2C[C@H](C)O[C@@H](C)C2)CCC[NH2+]1 ZINC000643613915 390468591 /nfs/dbraw/zinc/46/85/91/390468591.db2.gz GPTPBFVRSLSBBK-GVXVVHGQSA-N 1 0 256.346 0.391 10 0 CCAERO COc1cccc(NC(=O)[C@H]2C[NH2+]CCOC2)c1 ZINC000643614696 390469450 /nfs/dbraw/zinc/46/94/50/390469450.db2.gz IATNRGAYOMIPRP-JTQLQIEISA-N 1 0 250.298 0.870 10 0 CCAERO Cc1ncsc1CNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649321344 390579559 /nfs/dbraw/zinc/57/95/59/390579559.db2.gz UZMPBQFZEVUCDD-SECBINFHSA-N 1 0 255.343 0.304 10 0 CCAERO CN(C(=O)Cc1ccn(C)n1)[C@@H]1CCC[NH2+]CC1 ZINC000565534543 390522473 /nfs/dbraw/zinc/52/24/73/390522473.db2.gz LTUNPKMJKNZMBO-GFCCVEGCSA-N 1 0 250.346 0.563 10 0 CCAERO COC[C@]1(C(=O)N[C@@H]2CCO[C@@H](C)C2)CCC[NH2+]1 ZINC000643779865 390544015 /nfs/dbraw/zinc/54/40/15/390544015.db2.gz VBJDPOFSOOBWMV-LOWVWBTDSA-N 1 0 256.346 0.439 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000644064543 390641635 /nfs/dbraw/zinc/64/16/35/390641635.db2.gz BBENNNKTFWIHHZ-NHCYSSNCSA-N 1 0 265.357 0.241 10 0 CCAERO CC(C)CN1C[C@H](C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])CC1=O ZINC000644065399 390642282 /nfs/dbraw/zinc/64/22/82/390642282.db2.gz ZCDPTXYKQBMJAQ-JHJVBQTASA-N 1 0 281.400 0.735 10 0 CCAERO C[C@H]1CN(C(=O)c2ccc3c(c2)OCC(=O)N3)C[C@H]1[NH3+] ZINC000521042816 390592874 /nfs/dbraw/zinc/59/28/74/390592874.db2.gz SHFZASXRGHCZSI-WCBMZHEXSA-N 1 0 275.308 0.437 10 0 CCAERO Cc1cnc([C@H](C)NC(=O)[C@H]2C[NH2+]CCOC2)s1 ZINC000649346463 390600905 /nfs/dbraw/zinc/60/09/05/390600905.db2.gz JKAIRVMQKMWQNU-UWVGGRQHSA-N 1 0 269.370 0.865 10 0 CCAERO C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCN1C(=O)C(C)(C)C ZINC000647033108 390761213 /nfs/dbraw/zinc/76/12/13/390761213.db2.gz OGEPXRMWTRKTLR-MNOVXSKESA-N 1 0 269.389 0.748 10 0 CCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CCCNC(=O)C(C)(C)C ZINC000647044631 390764769 /nfs/dbraw/zinc/76/47/69/390764769.db2.gz IWXWLWYTJFDWEW-MNOVXSKESA-N 1 0 269.389 0.877 10 0 CCAERO C[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H](C)CCC[NH3+] ZINC000647062854 390768159 /nfs/dbraw/zinc/76/81/59/390768159.db2.gz DWMAAVNAWCOAEW-VHSXEESVSA-N 1 0 267.329 0.642 10 0 CCAERO O=C(c1ccc2c(c1)CCO2)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000578126617 390865447 /nfs/dbraw/zinc/86/54/47/390865447.db2.gz HVDITSBPDUSDLY-GXTWGEPZSA-N 1 0 274.320 0.434 10 0 CCAERO C[NH2+]CCn1nncc1I ZINC000575523225 390841504 /nfs/dbraw/zinc/84/15/04/390841504.db2.gz HCNCAVXRZDVRHO-UHFFFAOYSA-N 1 0 252.059 0.102 10 0 CCAERO CN1C[C@@H](C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)CC1=O ZINC000657696332 413048875 /nfs/dbraw/zinc/04/88/75/413048875.db2.gz ILMOWEYMCVUVRY-GFCCVEGCSA-N 1 0 296.392 0.658 10 0 CCAERO CN1C[C@H](C[NH2+]Cc2cccc(C(N)=O)c2)CC1=O ZINC000657695527 413050055 /nfs/dbraw/zinc/05/00/55/413050055.db2.gz AKHPZQGDHYPWML-NSHDSACASA-N 1 0 261.325 0.353 10 0 CCAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(S(N)(=O)=O)C1 ZINC000190624776 130127396 /nfs/dbraw/zinc/12/73/96/130127396.db2.gz YLWGKGADVUOZBW-LBPRGKRZSA-N 1 0 284.385 0.039 10 0 CCAERO CN1C[C@H](C[NH2+]Cc2cn3ccccc3n2)CC1=O ZINC000657695700 413049888 /nfs/dbraw/zinc/04/98/88/413049888.db2.gz CEKNEJWOACVEKQ-NSHDSACASA-N 1 0 258.325 0.902 10 0 CCAERO CN(CC1CC(O)C1)C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 ZINC000342126356 130282025 /nfs/dbraw/zinc/28/20/25/130282025.db2.gz YLFJOKWJQAXYNJ-QBHFIFKDSA-N 1 0 269.389 0.881 10 0 CCAERO C[C@H](NC(=O)[C@H]1CCC[NH2+]1)C(=O)NCc1ccco1 ZINC000237519111 131037889 /nfs/dbraw/zinc/03/78/89/131037889.db2.gz BJOZILHONQHOCG-GXSJLCMTSA-N 1 0 265.313 0.153 10 0 CCAERO 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Cc1cccc(OCCN(C)C(=O)[C@@H]2C[C@H](O)C[NH2+]2)c1 ZINC000037816492 173766380 /nfs/dbraw/zinc/76/63/80/173766380.db2.gz XBEWZKZZTHKTCI-JSGCOSHPSA-N 1 0 278.352 0.555 10 0 CCAERO NC(=O)NC[C@H]1CCCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000037820975 173773568 /nfs/dbraw/zinc/77/35/68/173773568.db2.gz RMBRVWVTGCTCKL-SNVBAGLBSA-N 1 0 268.361 0.035 10 0 CCAERO COCCNC(=O)[C@H](C)N(CC[NH3+])Cc1ccccc1 ZINC000038033160 174030946 /nfs/dbraw/zinc/03/09/46/174030946.db2.gz NCUBSGFJVFLAKQ-ZDUSSCGKSA-N 1 0 279.384 0.598 10 0 CCAERO Cc1noc(CNC2CC[NH+](CC(=O)N(C)C)CC2)n1 ZINC000038034060 174032431 /nfs/dbraw/zinc/03/24/31/174032431.db2.gz PMRYGNVCGPZTMB-UHFFFAOYSA-N 1 0 281.360 0.020 10 0 CCAERO CCN(CCC[NH2+]C[C@@H](C)C(=O)OC)S(C)(=O)=O ZINC000038035708 174034129 /nfs/dbraw/zinc/03/41/29/174034129.db2.gz KPYVAVSRAFNOCK-SNVBAGLBSA-N 1 0 280.390 0.057 10 0 CCAERO CC(C)N1C(=O)C[C@H]([NH2+]C[C@H]2CCCOC2)C1=O ZINC000038045241 174053325 /nfs/dbraw/zinc/05/33/25/174053325.db2.gz PNSWRBYYLZJMPT-MNOVXSKESA-N 1 0 254.330 0.539 10 0 CCAERO C[C@H]([NH2+]C[C@@H]1CCCOC1)C(=O)N1CCOCC1 ZINC000038045764 174054114 /nfs/dbraw/zinc/05/41/14/174054114.db2.gz NPWDLTJUGCKJBP-RYUDHWBXSA-N 1 0 256.346 0.250 10 0 CCAERO C[C@H]([NH2+]CCCS(C)(=O)=O)C(=O)N1CCCC1 ZINC000038048101 174058545 /nfs/dbraw/zinc/05/85/45/174058545.db2.gz VRXMVGHOFINWMP-JTQLQIEISA-N 1 0 262.375 0.022 10 0 CCAERO C[C@H]([NH2+]C[C@H]1COCCO1)C(=O)N1CCCCC1 ZINC000038061858 174073313 /nfs/dbraw/zinc/07/33/13/174073313.db2.gz LASRQHJLOYVRPI-RYUDHWBXSA-N 1 0 256.346 0.392 10 0 CCAERO O=S1(=O)CC[C@@H](C[NH2+]CCc2ccccn2)C1 ZINC000038083952 174093442 /nfs/dbraw/zinc/09/34/42/174093442.db2.gz FEZSGEHWSOZOMB-NSHDSACASA-N 1 0 254.355 0.648 10 0 CCAERO COc1ccc(O[C@H]2CCS(=O)(=O)C2)c(C[NH3+])c1 ZINC000038084437 174094096 /nfs/dbraw/zinc/09/40/96/174094096.db2.gz GBFKDUIDJLFWLD-NSHDSACASA-N 1 0 271.338 0.720 10 0 CCAERO C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)C(=O)N1CCCCC1 ZINC000038084076 174094408 /nfs/dbraw/zinc/09/44/08/174094408.db2.gz BSHPCHXCGUKQDG-NWDGAFQWSA-N 1 0 288.413 0.412 10 0 CCAERO C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH2+]CC1 ZINC000038285153 174138787 /nfs/dbraw/zinc/13/87/87/174138787.db2.gz GOEQJAFQLQRBPH-VIFPVBQESA-N 1 0 257.334 0.331 10 0 CCAERO C[NH+](C)[C@@H](CNC(=O)C1=NNC(=O)CC1)c1ccccc1 ZINC000040413238 174255056 /nfs/dbraw/zinc/25/50/56/174255056.db2.gz QUGYCDLQHPLPMW-ZDUSSCGKSA-N 1 0 288.351 0.672 10 0 CCAERO CC(C)Nc1nc[nH+]c(NN2CCN(C)CC2)c1N ZINC000040708103 174380311 /nfs/dbraw/zinc/38/03/11/174380311.db2.gz UHSRXWPVTXMIRF-UHFFFAOYSA-N 1 0 265.365 0.453 10 0 CCAERO CCOc1nc[nH+]c(NN2CCN(C)CC2)c1N ZINC000040756972 174396208 /nfs/dbraw/zinc/39/62/08/174396208.db2.gz KHMZFAKZHZINAY-UHFFFAOYSA-N 1 0 252.322 0.032 10 0 CCAERO CC(C)n1nnnc1CN(C)[C@H](C[NH3+])C(F)(F)F ZINC000662331323 414710597 /nfs/dbraw/zinc/71/05/97/414710597.db2.gz GLYKYSISDHHHLX-SSDOTTSWSA-N 1 0 266.271 0.575 10 0 CCAERO CC[C@H]([NH2+]C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000662339992 414711165 /nfs/dbraw/zinc/71/11/65/414711165.db2.gz TTZNRIZFCPQJAT-CABZTGNLSA-N 1 0 299.396 0.509 10 0 CCAERO O=C(N[C@H]1CCCNC1=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662421794 414716678 /nfs/dbraw/zinc/71/66/78/414716678.db2.gz OXDIGKJOBOIEJT-VIFPVBQESA-N 1 0 279.365 0.402 10 0 CCAERO O=C(N[C@H]1CCCNC1=O)c1cccc2c1C[NH2+]C2 ZINC000662420108 414716831 /nfs/dbraw/zinc/71/68/31/414716831.db2.gz CICGOAXBBSHVAZ-LBPRGKRZSA-N 1 0 259.309 0.298 10 0 CCAERO CN1C[C@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)CC1=O ZINC000662692829 414742337 /nfs/dbraw/zinc/74/23/37/414742337.db2.gz GSBSPSXMVZEPBN-QWRGUYRKSA-N 1 0 253.346 0.113 10 0 CCAERO C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H]1CC(=O)N(C)C1 ZINC000662695384 414742422 /nfs/dbraw/zinc/74/24/22/414742422.db2.gz KVLSABFNMWCNEY-MNOVXSKESA-N 1 0 269.389 0.605 10 0 CCAERO C[C@]1(C(F)F)CN(C(=O)C2(C[NH3+])CCOCC2)CCO1 ZINC000663003065 414943171 /nfs/dbraw/zinc/94/31/71/414943171.db2.gz VJJXDWLYNMABJW-GFCCVEGCSA-N 1 0 292.326 0.625 10 0 CCAERO CN(C(=O)c1cnn(C)c1)[C@H](C[NH3+])C(F)(F)F ZINC000662976430 414929728 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ZINC000042455532 174747145 /nfs/dbraw/zinc/74/71/45/174747145.db2.gz SKEZUCFSPWFBOX-VIFPVBQESA-N 1 0 257.359 0.365 10 0 CCAERO C[C@@H]([NH3+])c1ccc(S(=O)(=O)N(CCO)C2CC2)cc1 ZINC000042481078 174757952 /nfs/dbraw/zinc/75/79/52/174757952.db2.gz BRXUJNBGJHZNPS-SNVBAGLBSA-N 1 0 284.381 0.852 10 0 CCAERO CN(CCC[NH3+])S(=O)(=O)Nc1cccc(F)c1 ZINC000042524879 174774737 /nfs/dbraw/zinc/77/47/37/174774737.db2.gz VFYDNCGTSVICHS-UHFFFAOYSA-N 1 0 261.322 0.763 10 0 CCAERO C[C@H]1CN(C(=O)[C@H]2CC[NH2+]C2)C[C@@](C)(C(F)F)O1 ZINC000663006254 414946648 /nfs/dbraw/zinc/94/66/48/414946648.db2.gz TUJFREWCRFDBIJ-AUTRQRHGSA-N 1 0 262.300 0.867 10 0 CCAERO CN(CC1CCC1)C1(C[NH3+])CCS(=O)(=O)CC1 ZINC000061455230 175646368 /nfs/dbraw/zinc/64/63/68/175646368.db2.gz NLKBVHAJRAZFFB-UHFFFAOYSA-N 1 0 260.403 0.624 10 0 CCAERO CN(C[C@@H]1CC[N@H+](C)C1)c1ccc(C(N)=O)cc1N ZINC000071188499 176063186 /nfs/dbraw/zinc/06/31/86/176063186.db2.gz NQEYBUDEOBKVOA-SNVBAGLBSA-N 1 0 262.357 0.756 10 0 CCAERO CCC[C@H](Cn1cnc2c(cnn2C)c1=O)[NH2+]CC ZINC000071194982 176076086 /nfs/dbraw/zinc/07/60/86/176076086.db2.gz DGDCWLCFLVBWJN-SNVBAGLBSA-N 1 0 263.345 0.908 10 0 CCAERO CCn1c(C[NH3+])nnc1S[C@@H](C)C(=O)NC1CC1 ZINC000071374727 176139825 /nfs/dbraw/zinc/13/98/25/176139825.db2.gz UQFISSAHQAZOBL-ZETCQYMHSA-N 1 0 269.374 0.516 10 0 CCAERO CCCn1c(C[NH3+])nnc1SCC(=O)NC(C)C ZINC000071375141 176140602 /nfs/dbraw/zinc/14/06/02/176140602.db2.gz DMUCWVPPAHBSFN-UHFFFAOYSA-N 1 0 271.390 0.764 10 0 CCAERO COc1ccc(CC(=O)NCC[NH3+])c(OC)c1C ZINC000071574094 176201209 /nfs/dbraw/zinc/20/12/09/176201209.db2.gz SANCSKHXCRETKS-UHFFFAOYSA-N 1 0 252.314 0.630 10 0 CCAERO CN(c1cccc(F)c1C[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000071611880 176232023 /nfs/dbraw/zinc/23/20/23/176232023.db2.gz WFRVSDWAYVMCRX-VIFPVBQESA-N 1 0 272.345 0.908 10 0 CCAERO CNC(=O)[C@@H](CC[NH3+])c1cc(OC)ccc1OC ZINC000076656339 177046153 /nfs/dbraw/zinc/04/61/53/177046153.db2.gz HYDRQRKNABXRIU-JTQLQIEISA-N 1 0 252.314 0.882 10 0 CCAERO CC[C@@H](C[NH3+])CC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000076675208 177055523 /nfs/dbraw/zinc/05/55/23/177055523.db2.gz WQKIEPDGUCRIPT-ZJUUUORDSA-N 1 0 262.375 0.007 10 0 CCAERO C[C@H]([NH3+])c1ccc(-n2cc(S(C)(=O)=O)cn2)cn1 ZINC000725242016 545873208 /nfs/dbraw/zinc/87/32/08/545873208.db2.gz AACVQYHIDLKZKS-QMMMGPOBSA-N 1 0 266.326 0.691 10 0 CCAERO CS(=O)(=O)c1cnn(CC23CCC(CC2)[NH2+]3)c1 ZINC000725242194 545874044 /nfs/dbraw/zinc/87/40/44/545874044.db2.gz MGZQPGWKHXNGDS-UHFFFAOYSA-N 1 0 255.343 0.571 10 0 CCAERO C[NH2+][C@H](C)c1cncc(-n2cc(S(C)(=O)=O)cn2)c1 ZINC000725250501 545875342 /nfs/dbraw/zinc/87/53/42/545875342.db2.gz HDAABLZKORXXRI-SECBINFHSA-N 1 0 280.353 0.951 10 0 CCAERO COC(C)(C)[C@@H]([NH3+])Cn1cc(S(C)(=O)=O)cn1 ZINC000725251679 545877037 /nfs/dbraw/zinc/87/70/37/545877037.db2.gz FAUCGJBZSPEKQY-VIFPVBQESA-N 1 0 261.347 0.039 10 0 CCAERO C[C@@H]([NH3+])[C@H](c1ccco1)n1cc(S(C)(=O)=O)cn1 ZINC000725252572 545877982 /nfs/dbraw/zinc/87/79/82/545877982.db2.gz NJJGQHUMXLYYBS-LDYMZIIASA-N 1 0 269.326 0.816 10 0 CCAERO CC[C@H](C)[C@H](Cn1cc(S(C)(=O)=O)cn1)[NH2+]C ZINC000725252897 545878260 /nfs/dbraw/zinc/87/82/60/545878260.db2.gz PKLQMXPYKWTLME-ONGXEEELSA-N 1 0 259.375 0.921 10 0 CCAERO [NH3+][C@H](CNC(=O)NC1CCCC1)[C@H]1CCCOC1 ZINC000725255113 545879596 /nfs/dbraw/zinc/87/95/96/545879596.db2.gz SKVJFWOFSCDOBW-CMPLNLGQSA-N 1 0 255.362 0.982 10 0 CCAERO O=S(=O)(CC(F)(F)F)Nc1ccnn1C1C[NH2+]C1 ZINC000725259411 545881677 /nfs/dbraw/zinc/88/16/77/545881677.db2.gz ARRKSMUNXBFQMN-UHFFFAOYSA-N 1 0 284.263 0.331 10 0 CCAERO COCC(=O)N[C@@H]1CC[NH2+]CC[C@H]1C(F)(F)F ZINC000725262657 545881919 /nfs/dbraw/zinc/88/19/19/545881919.db2.gz JULTZVMMJYODCD-HTQZYQBOSA-N 1 0 254.252 0.680 10 0 CCAERO CCC[C@H](C)C(=O)NC[C@@H]1OC(=O)CC12C[NH2+]C2 ZINC000725263401 545883287 /nfs/dbraw/zinc/88/32/87/545883287.db2.gz ZHEGOWURDBPGSI-UWVGGRQHSA-N 1 0 254.330 0.444 10 0 CCAERO COC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCO[C@@]23CCOC3)C1 ZINC000725269157 545886399 /nfs/dbraw/zinc/88/63/99/545886399.db2.gz MSSFNPHMCRCBBR-MBNYWOFBSA-N 1 0 269.341 0.819 10 0 CCAERO CC(C)CNC(=O)N[C@@H]1CCOC12CC[NH2+]CC2 ZINC000725269220 545886808 /nfs/dbraw/zinc/88/68/08/545886808.db2.gz GRGGLLODKMWKDT-LLVKDONJSA-N 1 0 255.362 0.853 10 0 CCAERO CCOC(=O)C(F)(F)Cn1cc(C(C)(C)[NH3+])nn1 ZINC000725272804 545887712 /nfs/dbraw/zinc/88/77/12/545887712.db2.gz REIRZRFNBHIYHL-UHFFFAOYSA-N 1 0 262.260 0.670 10 0 CCAERO C[C@@H](O)c1cn([C@@H]2CCOC3(CC[NH2+]CC3)C2)nn1 ZINC000725272590 545887750 /nfs/dbraw/zinc/88/77/50/545887750.db2.gz QOOHVNPCBYKVAY-GHMZBOCLSA-N 1 0 266.345 0.805 10 0 CCAERO CCCCS(=O)(=O)N1CCC2(CC1)OCC[C@@H]2[NH3+] ZINC000725269949 545888588 /nfs/dbraw/zinc/88/85/88/545888588.db2.gz UPVZPHNVPKZTFN-NSHDSACASA-N 1 0 276.402 0.699 10 0 CCAERO CCCNC(=O)N1C[C@@H](C)OC2(CC[NH2+]CC2)C1 ZINC000725272904 545889183 /nfs/dbraw/zinc/88/91/83/545889183.db2.gz VKWZQYIMURHBET-LLVKDONJSA-N 1 0 255.362 0.949 10 0 CCAERO C[NH2+][C@H](C)C(=O)N[C@H](C)c1ccc(NC(N)=O)cc1 ZINC000054072658 544441852 /nfs/dbraw/zinc/44/18/52/544441852.db2.gz RWKBZCNGFMDOIA-RKDXNWHRSA-N 1 0 264.329 0.962 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)Cc1nccn1C ZINC000094648319 544545494 /nfs/dbraw/zinc/54/54/94/544545494.db2.gz FAVZQFHRMPWCQI-QWRGUYRKSA-N 1 0 250.346 0.767 10 0 CCAERO COCCN(CCOC)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089451101 544513077 /nfs/dbraw/zinc/51/30/77/544513077.db2.gz FQQIXEXEUUKWHT-NEPJUHHUSA-N 1 0 258.362 0.483 10 0 CCAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1cccnc1-n1cncn1 ZINC000089459142 544514188 /nfs/dbraw/zinc/51/41/88/544514188.db2.gz GXOPHCLREAIIDF-MNOVXSKESA-N 1 0 286.339 0.976 10 0 CCAERO [NH3+]CCn1cc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)nn1 ZINC000089699636 544515396 /nfs/dbraw/zinc/51/53/96/544515396.db2.gz KJAOJRKJJLTKLB-RYUDHWBXSA-N 1 0 279.344 0.020 10 0 CCAERO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCC(=O)N1CCCC1 ZINC000115791856 544564838 /nfs/dbraw/zinc/56/48/38/544564838.db2.gz STDQUNQIOBRKGB-CYBMUJFWSA-N 1 0 296.415 0.592 10 0 CCAERO O=C(N1CCn2ccnc2C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111247216 544562178 /nfs/dbraw/zinc/56/21/78/544562178.db2.gz NWAWYKRXSFMZIY-LLVKDONJSA-N 1 0 288.273 0.767 10 0 CCAERO CCN(C(=O)C[C@H]([NH3+])C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000148558715 544646771 /nfs/dbraw/zinc/64/67/71/544646771.db2.gz FODROTRXBVTTQO-QWRGUYRKSA-N 1 0 276.402 0.395 10 0 CCAERO CCN1CCO[C@@H](CN[C@@H](C)c2nccn2C)C1 ZINC000165246130 544721541 /nfs/dbraw/zinc/72/15/41/544721541.db2.gz BBDGBNZRHBPGGG-RYUDHWBXSA-N 1 0 252.362 0.791 10 0 CCAERO CCn1cncc1C[NH2+]C[C@H]1CN(CC)CCO1 ZINC000165900276 544723141 /nfs/dbraw/zinc/72/31/41/544723141.db2.gz VNLDKGCQAPVVKL-ZDUSSCGKSA-N 1 0 252.362 0.713 10 0 CCAERO CCN1CCO[C@H](C[NH2+]Cc2cnn(C)c2C)C1 ZINC000160147535 544696408 /nfs/dbraw/zinc/69/64/08/544696408.db2.gz CVMIMTBCIGOGSX-CYBMUJFWSA-N 1 0 252.362 0.539 10 0 CCAERO OC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cccc2c1OCCO2 ZINC000179178007 544749269 /nfs/dbraw/zinc/74/92/69/544749269.db2.gz VRZPPSUURDCRMX-VXGBXAGGSA-N 1 0 265.309 0.385 10 0 CCAERO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@H](C)N1CCOCC1 ZINC000182277829 544761261 /nfs/dbraw/zinc/76/12/61/544761261.db2.gz KRWJOXGPVJIQKZ-NEPJUHHUSA-N 1 0 278.418 0.120 10 0 CCAERO CNC(=O)[C@H]([NH2+]CC(=O)NCc1cccc(C)c1)C(C)C ZINC000183664558 544769410 /nfs/dbraw/zinc/76/94/10/544769410.db2.gz DLQREJYHWDGMMC-OAHLLOKOSA-N 1 0 291.395 0.971 10 0 CCAERO CNC(=O)[C@H]([NH2+]CCCN1C(=O)NC(C)(C)C1=O)C(C)C ZINC000183664157 544770640 /nfs/dbraw/zinc/77/06/40/544770640.db2.gz PAAYUZFQCSQKIQ-SNVBAGLBSA-N 1 0 298.387 0.067 10 0 CCAERO Cc1c(C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)ccn1C ZINC000195282029 544812221 /nfs/dbraw/zinc/81/22/21/544812221.db2.gz YDNRZSYRDLPVSP-NWDGAFQWSA-N 1 0 279.384 0.861 10 0 CCAERO C[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000227429453 544835016 /nfs/dbraw/zinc/83/50/16/544835016.db2.gz MAKPTLXFQFQVSL-MXWKQRLJSA-N 1 0 274.386 0.007 10 0 CCAERO NC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000227373084 544835127 /nfs/dbraw/zinc/83/51/27/544835127.db2.gz JHCSRTGXEBQQJD-HBNTYKKESA-N 1 0 253.346 0.085 10 0 CCAERO COCC[N@@H+]1CCC[C@H]1CNC(=O)N1C[C@@H](C)[C@H](CO)C1 ZINC000188804490 544788214 /nfs/dbraw/zinc/78/82/14/544788214.db2.gz ZEXRYEHBVBMDTA-RDBSUJKOSA-N 1 0 299.415 0.367 10 0 CCAERO CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@@H]2CCC[C@@H](O)C2)C1(C)C ZINC000229558748 544849266 /nfs/dbraw/zinc/84/92/66/544849266.db2.gz RNJXFRZDUATECK-BLTAXRJOSA-N 1 0 284.400 0.939 10 0 CCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000235286381 544874239 /nfs/dbraw/zinc/87/42/39/544874239.db2.gz CSAPQLQGHVTLLD-MGPQQGTHSA-N 1 0 281.400 0.165 10 0 CCAERO CCS(=O)(=O)C[C@H](C)N(C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261801502 544936471 /nfs/dbraw/zinc/93/64/71/544936471.db2.gz QYFKRHLAIFWGFE-QJPTWQEYSA-N 1 0 290.429 0.643 10 0 CCAERO CCc1nc(C)c(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)s1 ZINC000262065524 544938256 /nfs/dbraw/zinc/93/82/56/544938256.db2.gz BDXWEVMDKAODAO-RKDXNWHRSA-N 1 0 269.370 0.324 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1c[nH]nc1-c1ccccc1 ZINC000262068276 544938360 /nfs/dbraw/zinc/93/83/60/544938360.db2.gz BJMGJTRTOVZLFX-AAEUAGOBSA-N 1 0 286.335 0.387 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1nccc2ccccc21 ZINC000262072763 544938416 /nfs/dbraw/zinc/93/84/16/544938416.db2.gz BUYWBKSVYFFWPB-YPMHNXCESA-N 1 0 271.320 0.545 10 0 CCAERO CCCOc1cccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000262080404 544938744 /nfs/dbraw/zinc/93/87/44/544938744.db2.gz CJQZSXXPAZORAY-TZMCWYRMSA-N 1 0 278.352 0.786 10 0 CCAERO COc1ccccc1C1(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC000262089259 544939006 /nfs/dbraw/zinc/93/90/06/544939006.db2.gz CXETZVXUJPOKPA-DGCLKSJQSA-N 1 0 290.363 0.423 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc2ccccc2n1 ZINC000262086030 544939266 /nfs/dbraw/zinc/93/92/66/544939266.db2.gz CQWJMBPHHSASEX-RISCZKNCSA-N 1 0 271.320 0.545 10 0 CCAERO Cc1ccccc1CCC(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262103773 544939370 /nfs/dbraw/zinc/93/93/70/544939370.db2.gz DYFDTLHZNVOIHO-ZIAGYGMSSA-N 1 0 262.353 0.624 10 0 CCAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1nccn1CC(F)(F)F ZINC000262105552 544941141 /nfs/dbraw/zinc/94/11/41/544941141.db2.gz JLPSUQBRSXYPOJ-RKDXNWHRSA-N 1 0 278.278 0.115 10 0 CCAERO Cc1nn(-c2ccccc2)cc1CNC[C@H]1C[NH2+]C[C@H]1O ZINC000262141957 544941894 /nfs/dbraw/zinc/94/18/94/544941894.db2.gz PURPIEXBRVVIMO-XJKSGUPXSA-N 1 0 286.379 0.851 10 0 CCAERO C[C@@H](CNC(=O)N[C@@H]1CCCC[NH2+]C1)N1CCOCC1 ZINC000333899473 545044449 /nfs/dbraw/zinc/04/44/49/545044449.db2.gz BICNXEKZKLSGBI-QWHCGFSZSA-N 1 0 284.404 0.148 10 0 CCAERO Cn1cc([C@H]2CCCN2C[C@@H]2C[NH2+]CCO2)cn1 ZINC000311129855 545012176 /nfs/dbraw/zinc/01/21/76/545012176.db2.gz WHNCHXXKGOKQQQ-QWHCGFSZSA-N 1 0 250.346 0.545 10 0 CCAERO CC(C)(C)[C@H](O)CNC(=O)C1(C[NH3+])CCOCC1 ZINC000324374148 545016834 /nfs/dbraw/zinc/01/68/34/545016834.db2.gz URDYDBZLSXQEKT-SNVBAGLBSA-N 1 0 258.362 0.265 10 0 CCAERO O=C(NCC[N@@H+]1CCCOCC1)NC[C@H]1CCCC[C@H]1O ZINC000334019151 545045219 /nfs/dbraw/zinc/04/52/19/545045219.db2.gz BOPHFNAHBCZBGU-ZIAGYGMSSA-N 1 0 299.415 0.559 10 0 CCAERO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCCNC2=O)C1 ZINC000332807123 545033823 /nfs/dbraw/zinc/03/38/23/545033823.db2.gz QNKJJKMDGFUOTR-QWHCGFSZSA-N 1 0 296.415 0.685 10 0 CCAERO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCO[C@@H]1C ZINC000332826505 545034582 /nfs/dbraw/zinc/03/45/82/545034582.db2.gz KOURNYACBWOEKC-UTUOFQBUSA-N 1 0 256.346 0.248 10 0 CCAERO O=C(NC[C@@H]1CCC[NH2+]1)N[C@H]1CCO[C@H]1C1CC1 ZINC000333619086 545041128 /nfs/dbraw/zinc/04/11/28/545041128.db2.gz RJGAXRXKFZPPOH-SRVKXCTJSA-N 1 0 253.346 0.605 10 0 CCAERO C[C@H](Cc1cnn(C)c1)NC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333660461 545041473 /nfs/dbraw/zinc/04/14/73/545041473.db2.gz WYLNGUCFGOFQPA-DGCLKSJQSA-N 1 0 279.388 0.792 10 0 CCAERO O=C([C@H]1CCc2n[nH]nc2C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000328960807 275009136 /nfs/dbraw/zinc/00/91/36/275009136.db2.gz QMQUUAAZCXXVAR-WDEREUQCSA-N 1 0 275.356 0.216 10 0 CCAERO CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC[C@H](C)[NH3+] ZINC000178634794 275475901 /nfs/dbraw/zinc/47/59/01/275475901.db2.gz LLIITGUXPOUEOM-NHYWBVRUSA-N 1 0 289.379 0.813 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC000245426242 276181255 /nfs/dbraw/zinc/18/12/55/276181255.db2.gz FTRARPZYFBKVKQ-STQMWFEESA-N 1 0 281.400 0.798 10 0 CCAERO CCN1CCN(C(=O)[C@@H]2CCCN2C2CC[NH2+]CC2)CC1 ZINC000038042950 276381231 /nfs/dbraw/zinc/38/12/31/276381231.db2.gz QKRXOXYCCFCBEW-HNNXBMFYSA-N 1 0 294.443 0.367 10 0 CCAERO CC[NH+]1CCN(CCCNC(=O)[C@@H]2CCCO[C@@H]2C)CC1 ZINC000188646362 276384022 /nfs/dbraw/zinc/38/40/22/276384022.db2.gz RTDHDJJTTWJMPP-HUUCEWRRSA-N 1 0 297.443 0.945 10 0 CCAERO CC(=O)N1CSC[C@H]1C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186547290 277015460 /nfs/dbraw/zinc/01/54/60/277015460.db2.gz SYUNESWDGIZXCO-YPMHNXCESA-N 1 0 297.424 0.651 10 0 CCAERO C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCn2ccnc21 ZINC000333012300 277057609 /nfs/dbraw/zinc/05/76/09/277057609.db2.gz BLLYTUZJONOFGQ-NWDGAFQWSA-N 1 0 262.357 0.971 10 0 CCAERO CN1CC[C@H](C(=O)N2CCC([NH+]3CCCC3)CC2)CC1=O ZINC000058908323 277161338 /nfs/dbraw/zinc/16/13/38/277161338.db2.gz ZZQWRNYUVYZRFN-ZDUSSCGKSA-N 1 0 293.411 0.942 10 0 CCAERO CC(C)([NH3+])CC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000084186752 277306159 /nfs/dbraw/zinc/30/61/59/277306159.db2.gz VJOWHFHNVGXXRS-LLVKDONJSA-N 1 0 255.362 0.047 10 0 CCAERO C[C@@H]1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)[C@@H](C[NH3+])C1 ZINC000261885541 277743603 /nfs/dbraw/zinc/74/36/03/277743603.db2.gz UQXJMRKFXOLURR-IJLUTSLNSA-N 1 0 282.388 0.363 10 0 CCAERO COc1ccc(OC)c2c1CN(C(=O)C1C[NH2+]C1)C[C@H]2O ZINC000262270537 277920594 /nfs/dbraw/zinc/92/05/94/277920594.db2.gz SXRPJRWPQJTTNU-LLVKDONJSA-N 1 0 292.335 0.299 10 0 CCAERO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)[C@@H]1CCCOC1 ZINC000261708546 277934146 /nfs/dbraw/zinc/93/41/46/277934146.db2.gz PJOJCXAYLSSVBF-MXWKQRLJSA-N 1 0 262.375 0.083 10 0 CCAERO COc1ccnc(N2CCO[C@H]3CC[N@H+](C)C[C@H]32)n1 ZINC000328943042 278066592 /nfs/dbraw/zinc/06/65/92/278066592.db2.gz ISDMHGSCMGCLSN-MNOVXSKESA-N 1 0 264.329 0.395 10 0 CCAERO CS(=O)(=O)N[C@@H]1CC[N@@H+]([C@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000305805025 278114127 /nfs/dbraw/zinc/11/41/27/278114127.db2.gz YWMZUIGQTDJKPE-XBFCOCLRSA-N 1 0 296.392 0.268 10 0 CCAERO CC1(C)CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000335192524 278251045 /nfs/dbraw/zinc/25/10/45/278251045.db2.gz JQGSNTLWVPBWBF-LLVKDONJSA-N 1 0 281.400 0.831 10 0 CCAERO C[C@@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@H]1C(N)=O ZINC000408053288 278639472 /nfs/dbraw/zinc/63/94/72/278639472.db2.gz GRJDSPYZIDZCLQ-ZWNOBZJWSA-N 1 0 279.384 0.441 10 0 CCAERO C[C@@H]1NC(=O)CC[C@@H]1NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000333065547 279026456 /nfs/dbraw/zinc/02/64/56/279026456.db2.gz JJMFCILMBVISGP-DCAQKATOSA-N 1 0 268.361 0.047 10 0 CCAERO CCN(CC)C(=O)CN1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000247126871 279069031 /nfs/dbraw/zinc/06/90/31/279069031.db2.gz KAXKZFKTAIXSFB-QWHCGFSZSA-N 1 0 271.405 0.242 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCNC(=O)C1CC1 ZINC000177385466 279298276 /nfs/dbraw/zinc/29/82/76/279298276.db2.gz YUPKORFUONKKBL-CYBMUJFWSA-N 1 0 296.415 0.638 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C ZINC000333077207 279298913 /nfs/dbraw/zinc/29/89/13/279298913.db2.gz LJDUXJRCSNZJJP-YNEHKIRRSA-N 1 0 296.415 0.779 10 0 CCAERO CC(C)N1CCC[C@H](N2CCO[C@@H](C[NH+](C)C)C2)C1=O ZINC000248371164 279504522 /nfs/dbraw/zinc/50/45/22/279504522.db2.gz YJCFYDNOVBECOQ-KBPBESRZSA-N 1 0 283.416 0.648 10 0 CCAERO O=C([C@H]1CCNCC1(F)F)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000335120208 280138191 /nfs/dbraw/zinc/13/81/91/280138191.db2.gz UBKMGIAVPQHVEQ-WDEREUQCSA-N 1 0 273.327 0.538 10 0 CCAERO O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCC[C@@H](C2OCCO2)C1 ZINC000188879358 280151041 /nfs/dbraw/zinc/15/10/41/280151041.db2.gz AGWHHWLHPIOHDI-OUAUKWLOSA-N 1 0 272.320 0.298 10 0 CCAERO CC(C)[C@H]1C(=O)NCCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261777128 280360780 /nfs/dbraw/zinc/36/07/80/280360780.db2.gz OUYISLVGSPSVDS-UTUOFQBUSA-N 1 0 267.373 0.344 10 0 CCAERO Cc1cc(C)c(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c(C)c1 ZINC000335162135 280383130 /nfs/dbraw/zinc/38/31/30/280383130.db2.gz OZDSSONXKYJSKX-OLZOCXBDSA-N 1 0 262.353 0.922 10 0 CCAERO CC[C@H]1CN(C(=O)N2CCOCC2)CC[N@@H+]1C[C@@H](C)O ZINC000173269799 281133812 /nfs/dbraw/zinc/13/38/12/281133812.db2.gz LOOOFOLJRSSGKW-OLZOCXBDSA-N 1 0 285.388 0.216 10 0 CCAERO C[NH+](C)C(C)(C)CNC(=O)[C@@H]1OC[C@H]2COCC[C@@H]21 ZINC000408209754 282015429 /nfs/dbraw/zinc/01/54/29/282015429.db2.gz DTJCUUUBMQOADD-GRYCIOLGSA-N 1 0 270.373 0.494 10 0 CCAERO C[NH+](C)C[C@H]1CCN(C(=O)[C@@]2(C)CCCNC2=O)C1 ZINC000408370287 289213082 /nfs/dbraw/zinc/21/30/82/289213082.db2.gz IYSLAMFJIORTJQ-RISCZKNCSA-N 1 0 267.373 0.313 10 0 CCAERO CN1CCCN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1=O ZINC000188375136 289299116 /nfs/dbraw/zinc/29/91/16/289299116.db2.gz KPTOJZMPKBPGCS-CHWSQXEVSA-N 1 0 296.415 0.733 10 0 CCAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCO[C@]3(CCOC3)C2)C1 ZINC000342032674 289319211 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HAVQOAPQWHLAKD-NEPJUHHUSA-N 1 0 264.325 0.589 10 0 CCAERO COC(=O)N[C@H](CC(C)C)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000153544297 616917522 /nfs/dbraw/zinc/91/75/22/616917522.db2.gz IPHFPXSWZYKMLM-GRYCIOLGSA-N 1 0 285.388 0.966 10 0 CCAERO CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2N(C)Cc2nnn(C)n2)C1 ZINC000886077621 617101397 /nfs/dbraw/zinc/10/13/97/617101397.db2.gz CVLQYTSCDDQKJK-XQQFMLRXSA-N 1 0 294.403 0.284 10 0 CCAERO C[C@@H]1CN(C)C[C@H](C(=O)N2CCCc3c(=O)[nH]cnc32)O1 ZINC000893203761 625376253 /nfs/dbraw/zinc/37/62/53/625376253.db2.gz CSUOJWPUVJNWCN-MWLCHTKSSA-N 1 0 292.339 0.181 10 0 CCAERO Cc1cnn([C@H]2[C@H](O)C[C@@H]2[NH2+]CC2CCOCC2)c1 ZINC000888077052 622823233 /nfs/dbraw/zinc/82/32/33/622823233.db2.gz GRNRNPKRZCITDQ-BFHYXJOUSA-N 1 0 265.357 0.882 10 0 CCAERO C[C@@H]([NH2+][C@H]1CCC(=O)NC1=O)c1cncc(F)c1 ZINC000235208289 623087473 /nfs/dbraw/zinc/08/74/73/623087473.db2.gz NDMFVAFWAAHBLH-XCBNKYQSSA-N 1 0 251.261 0.677 10 0 CCAERO C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CSCCS2)C1 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DMACITGOQBACLQ-UHFFFAOYSA-N 1 0 289.339 0.034 10 0 CCAERO O=C(NCC[NH+]1CCCC1)c1nn2c(c1Cl)OCC2 ZINC000223841617 636909182 /nfs/dbraw/zinc/90/91/82/636909182.db2.gz KPHNLTUXYIBFBT-UHFFFAOYSA-N 1 0 284.747 0.755 10 0 CCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCCSC(F)(F)F)C1 ZINC000228502059 637060982 /nfs/dbraw/zinc/06/09/82/637060982.db2.gz NDRKZWBHHVIJMD-RNFRBKRXSA-N 1 0 272.292 0.733 10 0 CCAERO CCN(CC)C(=O)CNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000228835658 637079837 /nfs/dbraw/zinc/07/98/37/637079837.db2.gz DYVHJVMUUCMUGZ-MNOVXSKESA-N 1 0 255.362 0.359 10 0 CCAERO CC1(C)CC(=O)N(CN2CC[N@@H+]3CCC[C@@H]3C2)C1=O ZINC000172503812 637177279 /nfs/dbraw/zinc/17/72/79/637177279.db2.gz IRZJMUDRTNLJCI-LLVKDONJSA-N 1 0 265.357 0.509 10 0 CCAERO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)C1(C(F)(F)F)CC1 ZINC000067846700 637178839 /nfs/dbraw/zinc/17/88/39/637178839.db2.gz QVCFRJIMYWZFEX-BQBZGAKWSA-N 1 0 279.262 0.003 10 0 CCAERO CC[C@@H]1CN(C(=O)C2=CCCCO2)CC[N@@H+]1C[C@@H](C)O ZINC000173361202 637216473 /nfs/dbraw/zinc/21/64/73/637216473.db2.gz HIGCRBYUNJAWJT-CHWSQXEVSA-N 1 0 282.384 0.984 10 0 CCAERO C[NH+](C)[C@@H]1CCN(Cn2ncc3ccccc3c2=O)C1 ZINC000170842936 638208798 /nfs/dbraw/zinc/20/87/98/638208798.db2.gz JRNNERQQYKUZMF-CYBMUJFWSA-N 1 0 272.352 0.990 10 0 CCAERO Cc1nn(CN2CC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000183325903 638542147 /nfs/dbraw/zinc/54/21/47/638542147.db2.gz BWSJMERDZARQFT-SNVBAGLBSA-N 1 0 253.306 0.693 10 0 CCAERO COC(=O)N[C@@H](C(=O)N(C)CC[N@H+](C)C1CC1)C(C)C ZINC000186717070 639836981 /nfs/dbraw/zinc/83/69/81/639836981.db2.gz RWGRNZQYKOMSAU-GFCCVEGCSA-N 1 0 285.388 0.920 10 0 CCAERO [NH3+]C1CCN(CCNc2ncncc2Cl)CC1 ZINC000321638474 639842295 /nfs/dbraw/zinc/84/22/95/639842295.db2.gz ZEPAYUMPJNPZBE-UHFFFAOYSA-N 1 0 255.753 0.965 10 0 CCAERO [NH3+]C[C@H]1CC(C(=O)NC[C@H](O)c2ccc(F)cc2)=NO1 ZINC000827315426 648305818 /nfs/dbraw/zinc/30/58/18/648305818.db2.gz QMGXIUAAOBDGDZ-PWSUYJOCSA-N 1 0 281.287 0.079 10 0 CCAERO C[C@H]1CN(C(=O)CCCCC[NH3+])C[C@@H]1N1CCOCC1 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10 0 CCAERO CN(C)[PH](On1nnc2ccccc21)(N(C)C)[NH+](C)C ZINC000150341342 230394905 /nfs/dbraw/zinc/39/49/05/230394905.db2.gz REZMHVAEVGTYTF-UHFFFAOYSA-N 1 0 298.331 0.955 10 0 CCAERO COC[C@@H]1CN(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)CCO1 ZINC000091764623 349474457 /nfs/dbraw/zinc/47/44/57/349474457.db2.gz NPTZINZYFNOZGS-AVGNSLFASA-N 1 0 285.388 0.526 10 0 CCAERO C[C@@H](Sc1cnccn1)C(=O)N1CC[NH2+]CC1 ZINC000082655103 178142996 /nfs/dbraw/zinc/14/29/96/178142996.db2.gz FLMMVAVDGAHMJI-SECBINFHSA-N 1 0 252.343 0.389 10 0 CCAERO C[NH+](C)CCNc1cc(N2CCC[C@@H]2CO)ncn1 ZINC000258822940 282106402 /nfs/dbraw/zinc/10/64/02/282106402.db2.gz WAJBZMQHDIPHBN-LLVKDONJSA-N 1 0 265.361 0.411 10 0 CCAERO CNC(=O)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]21 ZINC000096066378 185084032 /nfs/dbraw/zinc/08/40/32/185084032.db2.gz WMWOHYDQGBXMBI-MGPQQGTHSA-N 1 0 292.383 0.393 10 0 CCAERO C[C@H](c1ccccn1)S(=O)(=O)NC[C@@H]1CCC[NH2+]1 ZINC000095068111 349585533 /nfs/dbraw/zinc/58/55/33/349585533.db2.gz FSJNCVGBLROGST-MNOVXSKESA-N 1 0 269.370 0.814 10 0 CCAERO O=S(=O)(C[C@@H]1CC[NH2+]C1)c1ccc(Cl)nn1 ZINC000095069939 349586494 /nfs/dbraw/zinc/58/64/94/349586494.db2.gz YQMWRBUKDUDNKH-SSDOTTSWSA-N 1 0 261.734 0.513 10 0 CCAERO C[NH+](C)C[C@H]1CN(C(=O)NC2CCOCC2)CCO1 ZINC000172125467 282137137 /nfs/dbraw/zinc/13/71/37/282137137.db2.gz VXGRVKNDQWUTQG-LBPRGKRZSA-N 1 0 271.361 0.137 10 0 CCAERO CCNC(=O)NC(=O)[C@H](C)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000408021245 137824091 /nfs/dbraw/zinc/82/40/91/137824091.db2.gz GTTRQRUTIQMNLV-GARJFASQSA-N 1 0 270.377 0.103 10 0 CCAERO C[C@@H](CO)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000125618574 187193315 /nfs/dbraw/zinc/19/33/15/187193315.db2.gz DZFZEWZMFNKRKH-AAEUAGOBSA-N 1 0 250.342 0.656 10 0 CCAERO Cc1ncc2n1CC[C@H](C(=O)N1CC[NH2+]C(C)(C)C1)C2 ZINC000335187903 282178283 /nfs/dbraw/zinc/17/82/83/282178283.db2.gz QPAVYKOCDVVXGR-LBPRGKRZSA-N 1 0 276.384 0.964 10 0 CCAERO O=C(C[NH+]1CCCC1)N1CCN(CCCCCO)CC1 ZINC000103230692 349693656 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CCOC(=O)c1cnc(NCCOCC[NH2+]C)nc1C ZINC000600951947 362097711 /nfs/dbraw/zinc/09/77/11/362097711.db2.gz PFWQTWVBOKCPOX-UHFFFAOYSA-N 1 0 282.344 0.032 10 0 CCAERO CO[C@@H]1CN(C(=O)[C@H](C)CSC)[C@](C)(C[NH3+])C1 ZINC000600886624 362087770 /nfs/dbraw/zinc/08/77/70/362087770.db2.gz RYJDRPSBXPQXNU-SCVCMEIPSA-N 1 0 260.403 0.950 10 0 CCAERO CCN(CC)S(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113306114 349809552 /nfs/dbraw/zinc/80/95/52/349809552.db2.gz SKBYZHHRVNMRSB-NWDGAFQWSA-N 1 0 275.418 0.742 10 0 CCAERO C[N@H+](CC(=O)N1CCC1)C1CCN(c2cccnn2)CC1 ZINC000329869123 136381558 /nfs/dbraw/zinc/38/15/58/136381558.db2.gz YJJASJJBDMPMEF-UHFFFAOYSA-N 1 0 289.383 0.610 10 0 CCAERO C[C@@H]1CC(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)C[C@@H](C)O1 ZINC000155037928 290693547 /nfs/dbraw/zinc/69/35/47/290693547.db2.gz ZGDMYGIMXPPTCJ-YRGRVCCFSA-N 1 0 299.415 0.914 10 0 CCAERO CCC[C@@H](C(=O)N[C@@H]1CCN(C(=O)NCC)C1)[NH+](C)C ZINC000154909537 290692374 /nfs/dbraw/zinc/69/23/74/290692374.db2.gz CBUCJBFMJKGVMB-NEPJUHHUSA-N 1 0 284.404 0.637 10 0 CCAERO C[NH+]1CCC(NC(=O)NC[C@H](O)C(C)(C)C)CC1 ZINC000114912002 349845334 /nfs/dbraw/zinc/84/53/34/349845334.db2.gz AJCPFLPDGJRABJ-NSHDSACASA-N 1 0 257.378 0.787 10 0 CCAERO C[NH+](C)C[C@@H]1CN(C(=O)c2n[nH]c3ccccc32)CCO1 ZINC000116794165 349873426 /nfs/dbraw/zinc/87/34/26/349873426.db2.gz FWVULDBFYNFYLY-LLVKDONJSA-N 1 0 288.351 0.966 10 0 CCAERO C[NH+](C)C[C@H]1CN(C(=O)CCNC(=O)C(C)(C)C)CCO1 ZINC000116795835 349872741 /nfs/dbraw/zinc/87/27/41/349872741.db2.gz SZTATIUJLFKKCV-LBPRGKRZSA-N 1 0 299.415 0.328 10 0 CCAERO Cc1cccc(CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)n1 ZINC000117036328 349879266 /nfs/dbraw/zinc/87/92/66/349879266.db2.gz NFOPXIKKXOXMMW-CQSZACIVSA-N 1 0 292.383 0.862 10 0 CCAERO COCCN1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC000117292520 349883707 /nfs/dbraw/zinc/88/37/07/349883707.db2.gz SOZSONFCMIDRFQ-CYBMUJFWSA-N 1 0 271.405 0.506 10 0 CCAERO CC[C@H]1CN(C(=O)NCCOC)CC[N@@H+]1CCOC ZINC000117467782 349886790 /nfs/dbraw/zinc/88/67/90/349886790.db2.gz NZVVIAKZPJSNFZ-LBPRGKRZSA-N 1 0 273.377 0.385 10 0 CCAERO O=C([C@@H]1COCCN1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000361729342 232212186 /nfs/dbraw/zinc/21/21/86/232212186.db2.gz RKKPSUZMRRGENA-KBPBESRZSA-N 1 0 281.400 0.452 10 0 CCAERO O=C1CNC(=O)N1CC[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000128362210 187366284 /nfs/dbraw/zinc/36/62/84/187366284.db2.gz VYSJIKHCHLCLPZ-NWDGAFQWSA-N 1 0 291.355 0.508 10 0 CCAERO CCc1cc(=O)[nH]c(CN2CCO[C@@H](C[NH+](C)C)C2)n1 ZINC000120190568 349973249 /nfs/dbraw/zinc/97/32/49/349973249.db2.gz CJSREBBZXBDMET-LBPRGKRZSA-N 1 0 280.372 0.507 10 0 CCAERO COC(=O)c1csc(C[NH2+][C@H]2CCOC[C@H]2O)c1 ZINC000602722839 362771686 /nfs/dbraw/zinc/77/16/86/362771686.db2.gz AXJSJGNVGISOMC-WDEREUQCSA-N 1 0 271.338 0.774 10 0 CCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000078614545 136787081 /nfs/dbraw/zinc/78/70/81/136787081.db2.gz VKAYBFFRPHWXTR-QWHCGFSZSA-N 1 0 298.431 0.870 10 0 CCAERO NC(=O)c1cccc(NC(=O)c2csc(CC[NH3+])n2)c1 ZINC000090952289 136802890 /nfs/dbraw/zinc/80/28/90/136802890.db2.gz YCPOBGIPJJMRPL-UHFFFAOYSA-N 1 0 290.348 0.996 10 0 CCAERO CN(C)C(=O)CCCC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186535181 136912173 /nfs/dbraw/zinc/91/21/73/136912173.db2.gz WAWDEANMINZFQF-LBPRGKRZSA-N 1 0 281.400 0.988 10 0 CCAERO C[C@H](CNC(=O)N1CCCNC(=O)[C@@H]1C)C[NH+]1CCCC1 ZINC000191449670 136936513 /nfs/dbraw/zinc/93/65/13/136936513.db2.gz CJCINYBITNVUFO-OLZOCXBDSA-N 1 0 296.415 0.638 10 0 CCAERO O=C(CCOC[C@H]1CCCO1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000249830017 137000755 /nfs/dbraw/zinc/00/07/55/137000755.db2.gz NGCVZPUXNCKPPD-ZIAGYGMSSA-N 1 0 282.384 0.879 10 0 CCAERO C[C@@H]1CN(S(=O)(=O)c2ccc(O)cc2)C[C@H]1[NH+](C)C ZINC000251739230 137002014 /nfs/dbraw/zinc/00/20/14/137002014.db2.gz KTJCWZMDJXUUPN-ZWNOBZJWSA-N 1 0 284.381 0.963 10 0 CCAERO Cc1cccc([C@H](C)C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262350078 137039992 /nfs/dbraw/zinc/03/99/92/137039992.db2.gz UINCNWJHERAMSN-YUTCNCBUSA-N 1 0 262.353 0.795 10 0 CCAERO O=C(C[C@@H]1CCc2ccccc2C1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262359244 137040317 /nfs/dbraw/zinc/04/03/17/137040317.db2.gz VALKXRXSFLXWOT-WQVCFCJDSA-N 1 0 288.391 0.878 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000262378351 137041119 /nfs/dbraw/zinc/04/11/19/137041119.db2.gz WSVPWWOWBDYGNE-MGAJZRQESA-N 1 0 296.317 0.765 10 0 CCAERO O=C(Cc1coc2cc(F)ccc12)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262385198 137041607 /nfs/dbraw/zinc/04/16/07/137041607.db2.gz XKGQYLMSYHDQNB-GXFFZTMASA-N 1 0 292.310 0.811 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000262394308 137041895 /nfs/dbraw/zinc/04/18/95/137041895.db2.gz YDUZCBCMZGGQFC-ZQYILIGKSA-N 1 0 296.317 0.765 10 0 CCAERO O=C(Cc1ccc(F)c(F)c1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262408953 137042585 /nfs/dbraw/zinc/04/25/85/137042585.db2.gz ZANXSVSJFJVMSE-BXKDBHETSA-N 1 0 270.279 0.204 10 0 CCAERO O=C(CCc1ccc(F)cc1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262410418 137042703 /nfs/dbraw/zinc/04/27/03/137042703.db2.gz ZELSMWDSJNZLOS-AAEUAGOBSA-N 1 0 266.316 0.455 10 0 CCAERO COCC[NH2+]CC(=O)NC[C@@H](O)c1ccc(Cl)cc1 ZINC000262612692 137048105 /nfs/dbraw/zinc/04/81/05/137048105.db2.gz DSFAFKKZKIZOTM-GFCCVEGCSA-N 1 0 286.759 0.726 10 0 CCAERO CC[C@@H](CCO)NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262756108 137052817 /nfs/dbraw/zinc/05/28/17/137052817.db2.gz KXTZMIYHELKOCT-NWDGAFQWSA-N 1 0 280.372 0.698 10 0 CCAERO O[C@@H]1C[NH2+]C[C@H]1CNCc1cccc2c1OCO2 ZINC000263168143 137059745 /nfs/dbraw/zinc/05/97/45/137059745.db2.gz FJSLIPDWICZEQK-GHMZBOCLSA-N 1 0 250.298 0.085 10 0 CCAERO CCS(=O)(=O)C[C@@H](C)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261779175 137019386 /nfs/dbraw/zinc/01/93/86/137019386.db2.gz PBGCVZQIFMJZGV-GMTAPVOTSA-N 1 0 276.402 0.301 10 0 CCAERO C[C@@H]([NH3+])CC(=O)NCC(=O)Nc1ccc(F)cc1 ZINC000261780468 137019479 /nfs/dbraw/zinc/01/94/79/137019479.db2.gz JLVUGGQHQKORDP-MRVPVSSYSA-N 1 0 253.277 0.618 10 0 CCAERO C[C@H]1CCN(C(=O)CCc2nnc[nH]2)[C@@H](C[NH3+])C1 ZINC000261827341 137021573 /nfs/dbraw/zinc/02/15/73/137021573.db2.gz OOJIKQYSAWWSLU-VHSXEESVSA-N 1 0 251.334 0.323 10 0 CCAERO COCCN1C[C@H](C(=O)N2CC[C@H](C)C[C@H]2C[NH3+])CC1=O ZINC000261815257 137021659 /nfs/dbraw/zinc/02/16/59/137021659.db2.gz NPXILKJGIVTOSH-XQQFMLRXSA-N 1 0 297.399 0.067 10 0 CCAERO C[C@@H]1CCN(C(=O)CCc2nnc[nH]2)[C@@H](C[NH3+])C1 ZINC000261827339 137021667 /nfs/dbraw/zinc/02/16/67/137021667.db2.gz OOJIKQYSAWWSLU-NXEZZACHSA-N 1 0 251.334 0.323 10 0 CCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCC(=O)Nc1cccnc1 ZINC000261830649 137021793 /nfs/dbraw/zinc/02/17/93/137021793.db2.gz UCLULCMBCYQYGG-ZYHUDNBSSA-N 1 0 276.340 0.511 10 0 CCAERO CCC[C@@H](NC(N)=O)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261835736 137022089 /nfs/dbraw/zinc/02/20/89/137022089.db2.gz LFWFIGACGLRHPS-NXEZZACHSA-N 1 0 270.377 0.409 10 0 CCAERO O=C(C[C@@H]1Sc2ccccc2NC1=O)NCC1C[NH2+]C1 ZINC000261912374 137025661 /nfs/dbraw/zinc/02/56/61/137025661.db2.gz HAWWKMLQTFPSQZ-LBPRGKRZSA-N 1 0 291.376 0.825 10 0 CCAERO C[NH2+]CCC1CCN(C(=O)CC(=O)N(C)C)CC1 ZINC000261994077 137027288 /nfs/dbraw/zinc/02/72/88/137027288.db2.gz FHKUYAMHWAUUQX-UHFFFAOYSA-N 1 0 255.362 0.313 10 0 CCAERO [NH3+]C[C@H]1CC[C@@H](C(=O)NCCCN2CCCCCC2=O)O1 ZINC000261982641 137027504 /nfs/dbraw/zinc/02/75/04/137027504.db2.gz MGLNFUIRJSDJHY-OLZOCXBDSA-N 1 0 297.399 0.402 10 0 CCAERO C[C@@H](N1CCN(C(=O)C2C[NH2+]C2)CC1)C(F)(F)F ZINC000262205902 137030934 /nfs/dbraw/zinc/03/09/34/137030934.db2.gz IDJOWSHWVLOVII-MRVPVSSYSA-N 1 0 265.279 0.301 10 0 CCAERO O=C(Cc1c(F)cccc1F)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262215484 137031384 /nfs/dbraw/zinc/03/13/84/137031384.db2.gz JCNLFHNKEVLZMF-PRHODGIISA-N 1 0 270.279 0.204 10 0 CCAERO CCC[C@@H](NC(N)=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000262233586 137032308 /nfs/dbraw/zinc/03/23/08/137032308.db2.gz ARYIHEVAGUYWKE-LNFKQOIKSA-N 1 0 268.361 0.019 10 0 CCAERO COC(=O)c1ccc(Cl)c(CNC[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000263155742 137059356 /nfs/dbraw/zinc/05/93/56/137059356.db2.gz DKGVPNQVAADRHQ-DGCLKSJQSA-N 1 0 298.770 0.797 10 0 CCAERO COC[C@H]([NH3+])C(=O)NC[C@H](O)c1ccc(OC(C)C)cc1 ZINC000262254342 137033114 /nfs/dbraw/zinc/03/31/14/137033114.db2.gz IWNVDVVNVNRQEJ-KBPBESRZSA-N 1 0 296.367 0.597 10 0 CCAERO C[C@@H](C(=O)Nc1ccc(CNC(N)=O)cc1)C1C[NH2+]C1 ZINC000262259301 137033658 /nfs/dbraw/zinc/03/36/58/137033658.db2.gz UFXFELBXMJHOII-SECBINFHSA-N 1 0 276.340 0.649 10 0 CCAERO COc1ccccc1[C@H](C)CC(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262263131 137033906 /nfs/dbraw/zinc/03/39/06/137033906.db2.gz MJQWUDFYQIQAJZ-BZPMIXESSA-N 1 0 292.379 0.885 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc(-c2cnco2)cc1 ZINC000262290451 137035347 /nfs/dbraw/zinc/03/53/47/137035347.db2.gz OQKUIVPQWUSWJS-QWHCGFSZSA-N 1 0 287.319 0.652 10 0 CCAERO CCO[C@H](C(=O)NC[C@H]1C[NH2+]C[C@H]1O)c1ccccc1 ZINC000262296786 137035857 /nfs/dbraw/zinc/03/58/57/137035857.db2.gz PDJRBFIJWMEMKD-MCIONIFRSA-N 1 0 278.352 0.461 10 0 CCAERO O=S(=O)([C@H]1CCCOC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000262295502 137035988 /nfs/dbraw/zinc/03/59/88/137035988.db2.gz NHTFCXOHUYUGTB-LBPRGKRZSA-N 1 0 288.413 0.571 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(Br)cc1 ZINC000262307875 137036788 /nfs/dbraw/zinc/03/67/88/137036788.db2.gz QELIRGJIHFVZPG-MWLCHTKSSA-N 1 0 299.168 0.759 10 0 CCAERO CC(C)c1cccc(OCC(=O)NC[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000262313511 137036976 /nfs/dbraw/zinc/03/69/76/137036976.db2.gz QQDLIRMTJZSRMT-UKRRQHHQSA-N 1 0 292.379 0.885 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(-c2ncon2)cc1 ZINC000262327642 137038084 /nfs/dbraw/zinc/03/80/84/137038084.db2.gz RXFKWIUIHKRHRS-VXGBXAGGSA-N 1 0 288.307 0.047 10 0 CCAERO O=C(Cc1ccc(F)cc1F)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262329050 137038361 /nfs/dbraw/zinc/03/83/61/137038361.db2.gz SCWFEBJVZDYMJQ-BXKDBHETSA-N 1 0 270.279 0.204 10 0 CCAERO CCc1c(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)[nH]c(C)c1C(C)=O ZINC000262337424 137038820 /nfs/dbraw/zinc/03/88/20/137038820.db2.gz SSNHRADIENWKBH-JQWIXIFHSA-N 1 0 293.367 0.398 10 0 CCAERO CCc1nnsc1-c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263237784 137061430 /nfs/dbraw/zinc/06/14/30/137061430.db2.gz OFINDSSRXJUSET-MRVPVSSYSA-N 1 0 280.357 0.727 10 0 CCAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1cc(F)c(F)c(F)c1 ZINC000263253598 137061642 /nfs/dbraw/zinc/06/16/42/137061642.db2.gz QEBAWJAIEZVOKW-KWQFWETISA-N 1 0 260.259 0.774 10 0 CCAERO CCCC(=O)N1CCC(C(=O)N(C)CC[NH2+]C)CC1 ZINC000263249033 137061787 /nfs/dbraw/zinc/06/17/87/137061787.db2.gz OCMMJIBIUKCSJK-UHFFFAOYSA-N 1 0 269.389 0.703 10 0 CCAERO Cn1cc(CNC[C@H]2C[NH2+]C[C@H]2O)c(-c2cccs2)n1 ZINC000263251164 137061859 /nfs/dbraw/zinc/06/18/59/137061859.db2.gz PZGGSMGYYPCMJC-CMPLNLGQSA-N 1 0 292.408 0.819 10 0 CCAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1c[nH]nc1-c1ccccc1 ZINC000263263015 137062033 /nfs/dbraw/zinc/06/20/33/137062033.db2.gz REEJVTQXGGIIHQ-JSGCOSHPSA-N 1 0 272.352 0.747 10 0 CCAERO COc1ccc(OC)c([C@@H](O)CNC(=O)C2C[NH2+]C2)c1 ZINC000263259387 137062079 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ZINC000312159529 137076927 /nfs/dbraw/zinc/07/69/27/137076927.db2.gz IKOWAVIDBWVVPH-NSHDSACASA-N 1 0 276.340 0.938 10 0 CCAERO O[C@@H]1C[NH2+]C[C@H]1CNCc1cc(Cl)cc2c1OCC2 ZINC000263196446 137060156 /nfs/dbraw/zinc/06/01/56/137060156.db2.gz ILUWGVNSXSCFAZ-DGCLKSJQSA-N 1 0 282.771 0.945 10 0 CCAERO Cn1ncc(-c2nc([C@H]3C[NH2+]CCN3C)no2)c1C1CC1 ZINC000263215757 137060632 /nfs/dbraw/zinc/06/06/32/137060632.db2.gz KWIOLJZUYVGHJR-LLVKDONJSA-N 1 0 288.355 0.924 10 0 CCAERO CCc1nnsc1-c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263237786 137061275 /nfs/dbraw/zinc/06/12/75/137061275.db2.gz OFINDSSRXJUSET-QMMMGPOBSA-N 1 0 280.357 0.727 10 0 CCAERO CO[C@H]1C[C@@H](CN(C)C(=O)COC(C)C)[N@H+](C)C1 ZINC000344491613 137197059 /nfs/dbraw/zinc/19/70/59/137197059.db2.gz FKPQARAGLMVRPU-RYUDHWBXSA-N 1 0 258.362 0.589 10 0 CCAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)CN2CCOCC2)o1 ZINC000038097649 348227137 /nfs/dbraw/zinc/22/71/37/348227137.db2.gz UOBHOQFNVBNJEQ-CHWSQXEVSA-N 1 0 268.357 0.932 10 0 CCAERO [NH3+]C1CCC(C(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000037623076 348194811 /nfs/dbraw/zinc/19/48/11/348194811.db2.gz BKFJFEMCWIQOEK-UHFFFAOYSA-N 1 0 289.383 0.643 10 0 CCAERO COc1ccc(OCCN(C)C(=O)[C@@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000037800467 348205434 /nfs/dbraw/zinc/20/54/34/348205434.db2.gz IOODHFLUEUXAJH-FZMZJTMJSA-N 1 0 294.351 0.255 10 0 CCAERO COc1ccc(OCCN(C)C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000037800469 348205491 /nfs/dbraw/zinc/20/54/91/348205491.db2.gz IOODHFLUEUXAJH-RISCZKNCSA-N 1 0 294.351 0.255 10 0 CCAERO COC(=O)[C@H](C)CN(C)C(=O)C1CCC([NH3+])CC1 ZINC000037823560 348211671 /nfs/dbraw/zinc/21/16/71/348211671.db2.gz UDYURBQJFLOZLQ-KPPDAEKUSA-N 1 0 256.346 0.771 10 0 CCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000040630402 348239458 /nfs/dbraw/zinc/23/94/58/348239458.db2.gz QGWDFGMMQMRNRE-CHWSQXEVSA-N 1 0 290.367 0.107 10 0 CCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H](c2ccco2)N(C)C)C1 ZINC000040805988 348242545 /nfs/dbraw/zinc/24/25/45/348242545.db2.gz TUDZNAQMHYCSMZ-QJPTWQEYSA-N 1 0 281.356 0.375 10 0 CCAERO O=C(NCc1ccc(OC(F)F)cc1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000040825234 348243687 /nfs/dbraw/zinc/24/36/87/348243687.db2.gz OBJHUNIZGGFHOP-KOLCDFICSA-N 1 0 286.278 0.627 10 0 CCAERO Nc1cccc(CCC[NH+]2CCN(CCO)CC2)c1 ZINC000041139236 348248783 /nfs/dbraw/zinc/24/87/83/348248783.db2.gz HYSVRNBZMYXFDT-UHFFFAOYSA-N 1 0 263.385 0.811 10 0 CCAERO O=C(NCC[NH+]1CCCCCC1)C1=NNC(=O)CC1 ZINC000040435800 348233789 /nfs/dbraw/zinc/23/37/89/348233789.db2.gz FUBIZMNLQIXTPL-UHFFFAOYSA-N 1 0 266.345 0.245 10 0 CCAERO C[C@H]1CCC[C@@H](C[NH3+])N1CC(=O)NC1CCOCC1 ZINC000104157731 185913298 /nfs/dbraw/zinc/91/32/98/185913298.db2.gz YJSHARLPEDYMER-AAEUAGOBSA-N 1 0 269.389 0.483 10 0 CCAERO CCC1CCC(NC(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000049124366 348442750 /nfs/dbraw/zinc/44/27/50/348442750.db2.gz IUEWAXATOBNLFJ-UHFFFAOYSA-N 1 0 281.400 0.893 10 0 CCAERO CCOC(=O)C1CCC(NC(=O)[C@@H](C)[NH2+]C)CC1 ZINC000054074685 348541257 /nfs/dbraw/zinc/54/12/57/348541257.db2.gz HFZJHDOFBARYFG-KPPDAEKUSA-N 1 0 256.346 0.832 10 0 CCAERO C[NH2+][C@H](C)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000052395592 348508645 /nfs/dbraw/zinc/50/86/45/348508645.db2.gz AIFXOMFIVDYYMS-MRVPVSSYSA-N 1 0 294.307 0.806 10 0 CCAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CCN(c2cnccn2)CC1 ZINC000054308109 348549473 /nfs/dbraw/zinc/54/94/73/348549473.db2.gz FIRHMJHCPNCZTJ-ZDUSSCGKSA-N 1 0 289.383 0.515 10 0 CCAERO CCN(C(=O)C[C@H]1CCC[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000054307816 348549617 /nfs/dbraw/zinc/54/96/17/348549617.db2.gz UUXBZUVOAOMCFZ-NEPJUHHUSA-N 1 0 288.413 0.412 10 0 CCAERO COCCCNC(=O)CN1CCC[N@@H+](C2CC2)CC1 ZINC000061041204 348650433 /nfs/dbraw/zinc/65/04/33/348650433.db2.gz WUWLHDMPXUVOEA-UHFFFAOYSA-N 1 0 269.389 0.309 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CNCC(=O)Nc1cnccn1 ZINC000065468725 348718094 /nfs/dbraw/zinc/71/80/94/348718094.db2.gz JKTWOSASHWWIAX-NSHDSACASA-N 1 0 263.345 0.489 10 0 CCAERO CNC(=O)Nc1cc(N)ccc1N1CC[NH+](C)CC1 ZINC000065336268 348710723 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ZINC000083550566 349307342 /nfs/dbraw/zinc/30/73/42/349307342.db2.gz RYYZAKMSRBGVMD-ZYHUDNBSSA-N 1 0 261.325 0.684 10 0 CCAERO O[C@H](COC1CCOCC1)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000121637885 350049836 /nfs/dbraw/zinc/04/98/36/350049836.db2.gz ZPHSHJHSHRPHLC-GJZGRUSLSA-N 1 0 298.427 0.713 10 0 CCAERO C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccoc2)CCO1 ZINC000124992278 350112217 /nfs/dbraw/zinc/11/22/17/350112217.db2.gz DJRGGLRKFGJEFX-GFCCVEGCSA-N 1 0 252.314 0.611 10 0 CCAERO NC(=O)c1cnc2nc[nH]c2c1NC1CC[NH2+]CC1 ZINC000090585860 180009661 /nfs/dbraw/zinc/00/96/61/180009661.db2.gz CHOBAVBDENTPNW-UHFFFAOYSA-N 1 0 260.301 0.221 10 0 CCAERO Cn1cc([C@H]2CC[N@H+](CCC3OCCO3)C2)cn1 ZINC000124333093 350095357 /nfs/dbraw/zinc/09/53/57/350095357.db2.gz QUMQSBAZTKGWDA-NSHDSACASA-N 1 0 251.330 0.972 10 0 CCAERO O[C@H](COC[C@@H]1CCCO1)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000125282749 350118404 /nfs/dbraw/zinc/11/84/04/350118404.db2.gz ZFNQEVPYWHBXBU-JYJNAYRXSA-N 1 0 298.427 0.713 10 0 CCAERO Cc1cc(=O)[nH]cc1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000126053226 350136783 /nfs/dbraw/zinc/13/67/83/350136783.db2.gz VLVZDPWPHNUGCP-GFCCVEGCSA-N 1 0 275.352 0.994 10 0 CCAERO O=C(C[NH2+][C@@H]1CCCC[C@H]1n1cccn1)N1CCOCC1 ZINC000128244913 350188709 /nfs/dbraw/zinc/18/87/09/350188709.db2.gz CHNAILJFBYZKMG-ZIAGYGMSSA-N 1 0 292.383 0.815 10 0 CCAERO CC(C)(C(=O)NCCc1cccnc1)N1CC[NH2+]CC1 ZINC000129637821 350218853 /nfs/dbraw/zinc/21/88/53/350218853.db2.gz ZWFMPDWVYFLYCA-UHFFFAOYSA-N 1 0 276.384 0.424 10 0 CCAERO CN1CCO[C@@H](CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000105279205 186048723 /nfs/dbraw/zinc/04/87/23/186048723.db2.gz AFVOBVXSROTRQU-KGLIPLIRSA-N 1 0 296.415 0.197 10 0 CCAERO CCC(=O)N1CCC[C@H](C(=O)N2CCCC[C@H]2C[NH3+])C1 ZINC000131177681 350266190 /nfs/dbraw/zinc/26/61/90/350266190.db2.gz FZZUSPDGBPUHHS-STQMWFEESA-N 1 0 281.400 0.975 10 0 CCAERO C[S@](=O)CCC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000131308389 350271735 /nfs/dbraw/zinc/27/17/35/350271735.db2.gz SKGBTQINDXWTLQ-PIGZYNQJSA-N 1 0 258.387 0.452 10 0 CCAERO OCCOCC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000132947984 350320652 /nfs/dbraw/zinc/32/06/52/350320652.db2.gz PAVSUSLBBHXQOH-UHFFFAOYSA-N 1 0 266.345 0.362 10 0 CCAERO CC[C@@H](CCO)[NH2+]C[C@H](O)COCc1ccco1 ZINC000134400180 350362893 /nfs/dbraw/zinc/36/28/93/350362893.db2.gz XPMWBUUECJPIPN-RYUDHWBXSA-N 1 0 257.330 0.908 10 0 CCAERO CCN1CCO[C@H](CNc2nnnn2-c2ccccc2)C1 ZINC000134478588 350365157 /nfs/dbraw/zinc/36/51/57/350365157.db2.gz GFWVZNNWPLCOCS-CYBMUJFWSA-N 1 0 288.355 0.795 10 0 CCAERO CC[C@@H](C(N)=O)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000105807490 186073136 /nfs/dbraw/zinc/07/31/36/186073136.db2.gz IJRCPFBHWNNWCM-LBPRGKRZSA-N 1 0 277.372 0.641 10 0 CCAERO CC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000134919213 350379474 /nfs/dbraw/zinc/37/94/74/350379474.db2.gz BPRXZDLGGIUDFG-QWRGUYRKSA-N 1 0 253.346 0.065 10 0 CCAERO CCCC[C@@H](NC(N)=O)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000105807849 186072484 /nfs/dbraw/zinc/07/24/84/186072484.db2.gz CFBIVDYAZQBFQH-VXGBXAGGSA-N 1 0 284.404 0.814 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N1CCOCC1 ZINC000135581310 350402969 /nfs/dbraw/zinc/40/29/69/350402969.db2.gz FKUXSTJIHXXTEN-LBPRGKRZSA-N 1 0 255.362 0.855 10 0 CCAERO C[C@H]1CN(C(=O)COC2CC[NH2+]CC2)CCS1 ZINC000137159798 350433417 /nfs/dbraw/zinc/43/34/17/350433417.db2.gz FJQVAPKWFJACOJ-JTQLQIEISA-N 1 0 258.387 0.719 10 0 CCAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@H]1CCc2ncnn2C1 ZINC000105871932 186081230 /nfs/dbraw/zinc/08/12/30/186081230.db2.gz NFZAGHNEVUJNPA-QWRGUYRKSA-N 1 0 279.388 0.876 10 0 CCAERO CN(C)C(=O)N1CCN(C(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000136164409 350416662 /nfs/dbraw/zinc/41/66/62/350416662.db2.gz NSPZUJKOOJVUSY-AWEZNQCLSA-N 1 0 282.388 0.344 10 0 CCAERO COC(C[N@@H+]1CCC[C@@H](Cn2cncn2)C1)OC ZINC000136767965 350428035 /nfs/dbraw/zinc/42/80/35/350428035.db2.gz NGHZCQUCULWYAE-LLVKDONJSA-N 1 0 254.334 0.609 10 0 CCAERO CCCNC(=O)[C@H](C)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000105836516 186075717 /nfs/dbraw/zinc/07/57/17/186075717.db2.gz VKROTWLAKMQEMU-UONOGXRCSA-N 1 0 285.432 0.944 10 0 CCAERO Cc1cc(NC(=O)CCN2CCO[C@H](C[NH+](C)C)C2)no1 ZINC000105904583 186087255 /nfs/dbraw/zinc/08/72/55/186087255.db2.gz KWMWPRPWRHNNRD-GFCCVEGCSA-N 1 0 296.371 0.574 10 0 CCAERO Cc1cnn(C[C@H]2C[N@H+](CCCCO)CCO2)c1 ZINC000105921084 186090797 /nfs/dbraw/zinc/09/07/97/186090797.db2.gz AFHQGTTZUFDXCG-CYBMUJFWSA-N 1 0 253.346 0.665 10 0 CCAERO CCCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000105932855 186092487 /nfs/dbraw/zinc/09/24/87/186092487.db2.gz LULTUBUDQPRQQH-NWDGAFQWSA-N 1 0 257.378 0.211 10 0 CCAERO CCn1ccnc1CN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000106382682 186111613 /nfs/dbraw/zinc/11/16/13/186111613.db2.gz BTNAGYIHFATGPL-UHFFFAOYSA-N 1 0 279.388 0.109 10 0 CCAERO Cc1cnn([C@@H]2CCC[N@@H+](CC(=O)N(C)C)C2)c1 ZINC000105899736 186085440 /nfs/dbraw/zinc/08/54/40/186085440.db2.gz IBODPBOHYDQWNS-GFCCVEGCSA-N 1 0 250.346 0.917 10 0 CCAERO CC(C)[N@H+]1C[C@H](NC(=O)C(=O)Nc2cccnc2)[C@@H](C)C1 ZINC000150795743 350484723 /nfs/dbraw/zinc/48/47/23/350484723.db2.gz GLWXPCZCMXIUQC-AAEUAGOBSA-N 1 0 290.367 0.865 10 0 CCAERO CCN(CC)C(=O)CCC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000151429810 350501090 /nfs/dbraw/zinc/50/10/90/350501090.db2.gz ZDMLHNAJFPOTGN-LBPRGKRZSA-N 1 0 269.389 0.798 10 0 CCAERO OCC1(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)COC1 ZINC000151445442 350501610 /nfs/dbraw/zinc/50/16/10/350501610.db2.gz FVNWWDLCKUMLKR-LBPRGKRZSA-N 1 0 251.330 0.946 10 0 CCAERO C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@@H]1CNC(=O)C1 ZINC000107260734 186164753 /nfs/dbraw/zinc/16/47/53/186164753.db2.gz GPYCZGWKWJDZII-LBPRGKRZSA-N 1 0 290.367 0.108 10 0 CCAERO CSC[C@H](C)NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000153882042 350565666 /nfs/dbraw/zinc/56/56/66/350565666.db2.gz FFSXLIAHRROCEA-QWRGUYRKSA-N 1 0 275.418 0.710 10 0 CCAERO COC(=O)[C@](C)(NC(=O)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000154348038 350584869 /nfs/dbraw/zinc/58/48/69/350584869.db2.gz TZSZCTOREYNOCO-TVQRCGJNSA-N 1 0 254.330 0.444 10 0 CCAERO C[N@@H+]1CCC[C@H]2CN(C(=O)CCc3nnc[nH]3)CC[C@@H]21 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UTYNLTITMQFAED-JTQLQIEISA-N 1 0 261.329 0.677 10 0 CCAERO Cn1[nH]c(=NC(=O)N[C@H]2CCCC[NH2+]C2)cc1C1CC1 ZINC000333359464 205250987 /nfs/dbraw/zinc/25/09/87/205250987.db2.gz SOWLEKHHEPQUBR-NSHDSACASA-N 1 0 277.372 0.983 10 0 CCAERO C[C@@H]1C[C@H](CNS(=O)(=O)CC[NH+]2CCCC2)[C@H](C)O1 ZINC000333417294 205305004 /nfs/dbraw/zinc/30/50/04/205305004.db2.gz SBALYMPBSKMTMI-FRRDWIJNSA-N 1 0 290.429 0.815 10 0 CCAERO C[C@@H]1OCC[C@H]1NC(=O)NCC1(C)CC[NH2+]CC1 ZINC000333547948 205430075 /nfs/dbraw/zinc/43/00/75/205430075.db2.gz JZCJQKYVZNFWOD-WDEREUQCSA-N 1 0 255.362 0.853 10 0 CCAERO C[C@H]1OCC[C@@H]1NC(=O)NCCC1=CC[NH2+]CC1 ZINC000333551108 205433440 /nfs/dbraw/zinc/43/34/40/205433440.db2.gz KGFPEVORXGDKRV-PWSUYJOCSA-N 1 0 253.346 0.773 10 0 CCAERO O=C(NC[C@@H]1CCC[C@H]1O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000333552658 205435584 /nfs/dbraw/zinc/43/55/84/205435584.db2.gz JSRBIOMBXNIEHK-GMXVVIOVSA-N 1 0 293.371 0.093 10 0 CCAERO C[NH2+][C@H](C)C(=O)N(CCC(=O)OC)C[C@@H]1CCCO1 ZINC000568231059 291570683 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CC(=O)N[C@H]1CCCN(C(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000637922134 374475591 /nfs/dbraw/zinc/47/55/91/374475591.db2.gz LYXNAQAMWPJLMQ-NEPJUHHUSA-N 1 0 251.330 0.161 10 0 CCAERO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N[C@H]1CCCOC1 ZINC000637982060 374528235 /nfs/dbraw/zinc/52/82/35/374528235.db2.gz PDYNEHVKCVMKSR-LSDHHAIUSA-N 1 0 291.395 0.741 10 0 CCAERO [NH3+]C[C@]1(C(=O)NC[C@H]2CCCC[C@@H]2O)CCCOC1 ZINC000638009566 374554640 /nfs/dbraw/zinc/55/46/40/374554640.db2.gz FHXGXKAAABJOMR-MBNYWOFBSA-N 1 0 270.373 0.409 10 0 CCAERO C[C@]1(C(=O)NC[C@H]2CCCC[C@H]2O)C[NH2+]CCO1 ZINC000638012515 374556675 /nfs/dbraw/zinc/55/66/75/374556675.db2.gz YEOGRSLIAQJJNZ-NQBHXWOUSA-N 1 0 256.346 0.032 10 0 CCAERO C[C@H]1CCN(C(=O)NCC2(O)CC[NH+](C)CC2)C1 ZINC000334241674 206242582 /nfs/dbraw/zinc/24/25/82/206242582.db2.gz NSOSIDRZECBSEK-NSHDSACASA-N 1 0 255.362 0.495 10 0 CCAERO CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000638166331 374746167 /nfs/dbraw/zinc/74/61/67/374746167.db2.gz RYTFMWDZLDQOAA-NEPJUHHUSA-N 1 0 255.362 0.263 10 0 CCAERO CC(=O)N[C@H](CC(C)C)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000638167611 374748429 /nfs/dbraw/zinc/74/84/29/374748429.db2.gz OCPRURPAUVGTFY-RFQIPJPRSA-N 1 0 281.400 0.733 10 0 CCAERO CC(=O)N[C@H](CC(C)C)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000638167609 374748708 /nfs/dbraw/zinc/74/87/08/374748708.db2.gz OCPRURPAUVGTFY-REWJHTLYSA-N 1 0 281.400 0.733 10 0 CCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1CCCN1c1ncccn1 ZINC000638237576 374830299 /nfs/dbraw/zinc/83/02/99/374830299.db2.gz UURHBGHNOJSLKM-GRYCIOLGSA-N 1 0 275.356 0.394 10 0 CCAERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000638353396 374950690 /nfs/dbraw/zinc/95/06/90/374950690.db2.gz ZCIUTMFFGLZYEQ-ASHHDVGLSA-N 1 0 268.357 0.245 10 0 CCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NC2CCC(OC)CC2)C1 ZINC000638444318 375048530 /nfs/dbraw/zinc/04/85/30/375048530.db2.gz DSFOMOXQWSQIDR-KIDURHIOSA-N 1 0 256.346 0.437 10 0 CCAERO CCN1CC[C@H](NC(=O)[C@H]2CCC[C@H]2C[NH3+])C1=O ZINC000638822602 375390278 /nfs/dbraw/zinc/39/02/78/375390278.db2.gz AQINLJRRQQSJON-DCAQKATOSA-N 1 0 253.346 0.098 10 0 CCAERO [NH3+][C@@H]1CCC[C@H](C(=O)N[C@H]2CCN(C3CCC3)C2=O)C1 ZINC000638796106 375366892 /nfs/dbraw/zinc/36/68/92/375366892.db2.gz HDFAXYLXDHPYSS-LOWVWBTDSA-N 1 0 279.384 0.774 10 0 CCAERO [NH3+]C1CCC(C(=O)N[C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000638796494 375368174 /nfs/dbraw/zinc/36/81/74/375368174.db2.gz JTCBMQXBFUOYMN-XIVSLSHWSA-N 1 0 279.384 0.774 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@@H]1CCN(C2CCC2)C1=O ZINC000638798494 375372292 /nfs/dbraw/zinc/37/22/92/375372292.db2.gz FHIARNDLMSDLAS-WCFLWFBJSA-N 1 0 279.384 0.644 10 0 CCAERO CO[C@H]1C[C@@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000638809713 375385449 /nfs/dbraw/zinc/38/54/49/375385449.db2.gz WRCBYONPDBRPAC-UTINFBMNSA-N 1 0 280.290 0.926 10 0 CCAERO CC(=O)NCCCCCC(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638884200 375424410 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O=C(CN1CCCCC1=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000334266540 206283311 /nfs/dbraw/zinc/28/33/11/206283311.db2.gz NRALJSAFQFXENX-UHFFFAOYSA-N 1 0 279.384 0.601 10 0 CCAERO O=C([C@H]1CCCC[NH2+]1)N1CC[C@H](N2CCOCC2)C1 ZINC000062976776 284548647 /nfs/dbraw/zinc/54/86/47/284548647.db2.gz CYPXHMUVLKQAPZ-QWHCGFSZSA-N 1 0 267.373 0.062 10 0 CCAERO O=C([C@H]1COCCN1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000361729344 284576886 /nfs/dbraw/zinc/57/68/86/284576886.db2.gz RKKPSUZMRRGENA-UONOGXRCSA-N 1 0 281.400 0.452 10 0 CCAERO O=C([C@H]1COCCN1)N1CCC([NH+]2CCCC2)CC1 ZINC000088371289 284577320 /nfs/dbraw/zinc/57/73/20/284577320.db2.gz UABPGRAJKZJCJE-CYBMUJFWSA-N 1 0 267.373 0.062 10 0 CCAERO [NH3+]Cc1cn(C[C@@H](O)Cc2cccc(Cl)c2)nn1 ZINC000641226769 376922692 /nfs/dbraw/zinc/92/26/92/376922692.db2.gz MQNFIBVDALNUPC-LBPRGKRZSA-N 1 0 266.732 0.994 10 0 CCAERO [NH3+]Cc1cn(C[C@H](O)Cc2cccc(Cl)c2)nn1 ZINC000641226768 376922953 /nfs/dbraw/zinc/92/29/53/376922953.db2.gz MQNFIBVDALNUPC-GFCCVEGCSA-N 1 0 266.732 0.994 10 0 CCAERO C[C@@H]1CCC[C@](CNC(=O)[C@H]2CNC(=O)C2)([NH+](C)C)C1 ZINC000110367886 284642859 /nfs/dbraw/zinc/64/28/59/284642859.db2.gz RZKCQZACSSZRBB-JMSVASOKSA-N 1 0 281.400 0.749 10 0 CCAERO [NH3+][C@H](CO)[C@H](O)c1ccc(I)cc1 ZINC000072191275 295331800 /nfs/dbraw/zinc/33/18/00/295331800.db2.gz JQVWJWWQLIWYIJ-RKDXNWHRSA-N 1 0 293.104 0.644 10 0 CCAERO Cc1ncc(CNC[C@@H](O)C[NH+]2CCCCC2)n1C ZINC000657325587 412960025 /nfs/dbraw/zinc/96/00/25/412960025.db2.gz KDQHNIOVLVWRJB-CQSZACIVSA-N 1 0 266.389 0.665 10 0 CCAERO C[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C[C@@H]1[NH3+] ZINC000571164717 291795504 /nfs/dbraw/zinc/79/55/04/291795504.db2.gz XONKDZKVCJCSQW-WXHSDQCUSA-N 1 0 279.384 0.441 10 0 CCAERO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCS[C@@H](C)C1 ZINC000246130494 285005983 /nfs/dbraw/zinc/00/59/83/285005983.db2.gz MMQHGLOXHHVEHF-WDEREUQCSA-N 1 0 299.440 0.536 10 0 CCAERO O[C@H](COC[C@H]1CCCO1)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000247178614 285044332 /nfs/dbraw/zinc/04/43/32/285044332.db2.gz NJYRIRZGFRGKBT-QLFBSQMISA-N 1 0 284.400 0.323 10 0 CCAERO C[C@@H]1COC[C@H](C)[N@H+]1C[C@@H](O)COC[C@H]1CCCO1 ZINC000247182122 285044356 /nfs/dbraw/zinc/04/43/56/285044356.db2.gz LUHOBTYSWZVCAH-XJFOESAGSA-N 1 0 273.373 0.652 10 0 CCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCC(C(N)=O)CC2)C1 ZINC000247462053 285052346 /nfs/dbraw/zinc/05/23/46/285052346.db2.gz UMLVOTQHUMDHJD-WCQYABFASA-N 1 0 296.415 0.622 10 0 CCAERO CC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCCN(C(C)C)C2=O)C1 ZINC000248372474 285063256 /nfs/dbraw/zinc/06/32/56/285063256.db2.gz ZZZKJKFSFUCFMH-KGLIPLIRSA-N 1 0 281.400 0.986 10 0 CCAERO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1nc(N)nc(N)n1 ZINC000248551895 285069131 /nfs/dbraw/zinc/06/91/31/285069131.db2.gz GXRGIOBRBBJDFZ-MBTKJCJQSA-N 1 0 250.350 0.950 10 0 CCAERO C[C@H]1C[NH2+]CCN1C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000335297098 208129749 /nfs/dbraw/zinc/12/97/49/208129749.db2.gz CRXLUWUVHFEXJF-WDEREUQCSA-N 1 0 255.362 0.947 10 0 CCAERO CCCCOC[C@@H](O)CN1CCNC(=O)[C@H]1CCC ZINC000248656477 285073893 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CC(=O)Nc1ccc(CC(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000335379781 208319270 /nfs/dbraw/zinc/31/92/70/208319270.db2.gz JUWYVBSPDFQYAH-YGRLFVJLSA-N 1 0 275.352 0.993 10 0 CCAERO C[C@H]1CN(C(=O)C(=O)N2CCSC(C)(C)CC2)C[C@@H]1[NH3+] ZINC000335378994 208321471 /nfs/dbraw/zinc/32/14/71/208321471.db2.gz PDUSCRWBZGRRDP-QWRGUYRKSA-N 1 0 299.440 0.536 10 0 CCAERO C[C@H](O)CN1CC[N@H+](CC[C@@H]2CCCO2)C[C@@H]1C ZINC000249383652 285112747 /nfs/dbraw/zinc/11/27/47/285112747.db2.gz QTTGIDYIYOKYRX-IHRRRGAJSA-N 1 0 256.390 0.942 10 0 CCAERO COC(=O)[C@](C)(O)C[N@@H+]1C[C@H]2CCCCN2C[C@@H]1C ZINC000251834064 285149872 /nfs/dbraw/zinc/14/98/72/285149872.db2.gz PUUHGRTZGZZKPI-OUCADQQQSA-N 1 0 270.373 0.469 10 0 CCAERO NC(=O)C1(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCCCC1 ZINC000261677089 285156048 /nfs/dbraw/zinc/15/60/48/285156048.db2.gz GMBFBRHSOWRXCY-GHMZBOCLSA-N 1 0 267.373 0.666 10 0 CCAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)CC(=O)N(C)C ZINC000174784820 285202708 /nfs/dbraw/zinc/20/27/08/285202708.db2.gz 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/nfs/dbraw/zinc/78/56/11/389785611.db2.gz NUYTYWHFGYZYPM-AVGNSLFASA-N 1 0 254.374 0.948 10 0 CCAERO COC1(CC(=O)N[C@H](C[NH3+])C(F)(F)F)CCC1 ZINC000401729467 389802193 /nfs/dbraw/zinc/80/21/93/389802193.db2.gz AOZDVWORWNQRGP-SSDOTTSWSA-N 1 0 254.252 0.951 10 0 CCAERO CCCCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401889616 389804757 /nfs/dbraw/zinc/80/47/57/389804757.db2.gz GONIFYQQLMKQNL-QWRGUYRKSA-N 1 0 271.361 0.315 10 0 CCAERO CC(C)(O)C[NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000408070244 389824010 /nfs/dbraw/zinc/82/40/10/389824010.db2.gz ICXNCYBJXWVFQE-ZJUUUORDSA-N 1 0 264.391 0.207 10 0 CCAERO C[C@@H]1CN(C)CCN1C(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000408113866 389827782 /nfs/dbraw/zinc/82/77/82/389827782.db2.gz BGWNESWFMAOUIC-SNVBAGLBSA-N 1 0 297.380 0.110 10 0 CCAERO CC1CCN(CC[NH2+][C@@H]2CCC(=O)N[C@H]2C)CC1 ZINC000440948466 390047486 /nfs/dbraw/zinc/04/74/86/390047486.db2.gz BFIXOBCSCJUSRM-QWHCGFSZSA-N 1 0 253.390 0.975 10 0 CCAERO [NH3+]C[C@H](NC(=O)[C@H]1CCCN1c1ncccn1)C1CC1 ZINC000647833336 390184829 /nfs/dbraw/zinc/18/48/29/390184829.db2.gz XHPUTRLJPOCSFE-NWDGAFQWSA-N 1 0 275.356 0.299 10 0 CCAERO Cc1cc(C)nc(S(=O)(=O)N2CCC([NH3+])CC2)n1 ZINC000095068850 184931267 /nfs/dbraw/zinc/93/12/67/184931267.db2.gz BCHGFHOADNBYOW-UHFFFAOYSA-N 1 0 270.358 0.205 10 0 CCAERO CN(C1=NS(=O)(=O)c2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000095070571 184932053 /nfs/dbraw/zinc/93/20/53/184932053.db2.gz VEGBGHOUTFCYCM-JTQLQIEISA-N 1 0 279.365 0.819 10 0 CCAERO C[NH2+]C1CCN(S(=O)(=O)c2nc(C)cc(C)n2)CC1 ZINC000095071564 184932664 /nfs/dbraw/zinc/93/26/64/184932664.db2.gz MRRFEURDAYGXKV-UHFFFAOYSA-N 1 0 284.385 0.466 10 0 CCAERO [NH3+][C@@H](CCO)C1CN(C(=O)OCc2ccccc2)C1 ZINC000095077246 184935243 /nfs/dbraw/zinc/93/52/43/184935243.db2.gz BNMSQDNQXJZJMA-ZDUSSCGKSA-N 1 0 264.325 0.965 10 0 CCAERO COC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000593911876 390367382 /nfs/dbraw/zinc/36/73/82/390367382.db2.gz QBNVUNCZFGFNBI-UTUOFQBUSA-N 1 0 268.357 0.786 10 0 CCAERO CCn1cncc1S(=O)(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000584004266 390334040 /nfs/dbraw/zinc/33/40/40/390334040.db2.gz FUAVUEBZYWQCIA-UHFFFAOYSA-N 1 0 298.412 0.795 10 0 CCAERO O=C([C@@H]1C[NH2+]CCOC1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000643646020 390488849 /nfs/dbraw/zinc/48/88/49/390488849.db2.gz VRHHTCYKBDIEGJ-NWDGAFQWSA-N 1 0 278.356 0.352 10 0 CCAERO C[C@@H](CNC(=O)[C@H]1C[NH2+]CCOC1)Oc1ccccc1 ZINC000643646113 390489017 /nfs/dbraw/zinc/48/90/17/390489017.db2.gz YGURKDZTIHNDPE-STQMWFEESA-N 1 0 278.352 0.806 10 0 CCAERO O=C(NC[C@H]1Cc2ccccc21)[C@H]1C[NH2+]CCOC1 ZINC000643648606 390490045 /nfs/dbraw/zinc/49/00/45/390490045.db2.gz LJEREDJJQYLGCG-OLZOCXBDSA-N 1 0 260.337 0.679 10 0 CCAERO COC[C@]1(C(=O)N2C[C@@H](C)OC(C)(C)C2)CCC[NH2+]1 ZINC000643657373 390491608 /nfs/dbraw/zinc/49/16/08/390491608.db2.gz KTRZJLORJWATFW-RISCZKNCSA-N 1 0 270.373 0.781 10 0 CCAERO CCCN(CC(F)F)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643671237 390497022 /nfs/dbraw/zinc/49/70/22/390497022.db2.gz PLNIMOFWEXPYHU-SECBINFHSA-N 1 0 250.289 0.726 10 0 CCAERO COC[C@H]1CCN(C(=O)[C@]2(COC)CCC[NH2+]2)C1 ZINC000643690016 390501224 /nfs/dbraw/zinc/50/12/24/390501224.db2.gz UVTIGRSUDOMMDD-WCQYABFASA-N 1 0 256.346 0.250 10 0 CCAERO O=C([C@H]1C[NH2+]CCOC1)N(CC1CC1)CC1CC1 ZINC000643705476 390506570 /nfs/dbraw/zinc/50/65/70/390506570.db2.gz SNZKVIUSTKZYIN-ZDUSSCGKSA-N 1 0 252.358 0.871 10 0 CCAERO CCOCCCCNC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643637584 390484075 /nfs/dbraw/zinc/48/40/75/390484075.db2.gz FSTGDLDPDMDNQN-CYBMUJFWSA-N 1 0 258.362 0.688 10 0 CCAERO COC[C@]1(C(=O)N[C@H]2C[C@@H](OC)C2(C)C)CCC[NH2+]1 ZINC000643729220 390519700 /nfs/dbraw/zinc/51/97/00/390519700.db2.gz UCWREYKSHAXHEL-WDMOLILDSA-N 1 0 270.373 0.685 10 0 CCAERO CN(CCc1ccccn1)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643774609 390541204 /nfs/dbraw/zinc/54/12/04/390541204.db2.gz HBVGYQZKVSTUHF-LBPRGKRZSA-N 1 0 263.341 0.319 10 0 CCAERO COC[C@]1(C(=O)N[C@H](C)c2ncc(C)o2)CCC[NH2+]1 ZINC000643779032 390543044 /nfs/dbraw/zinc/54/30/44/390543044.db2.gz MUABRZKPSFBUGH-MFKMUULPSA-N 1 0 267.329 0.929 10 0 CCAERO COC[C@]1(C(=O)N[C@H](C)c2cn[nH]c2)CCC[NH2+]1 ZINC000643794503 390553663 /nfs/dbraw/zinc/55/36/63/390553663.db2.gz VCTFNUXNGCUBPR-SKDRFNHKSA-N 1 0 252.318 0.356 10 0 CCAERO COC[C@@]1(C(=O)N[C@@H](C)Cn2ccnc2)CCC[NH2+]1 ZINC000649299607 390560309 /nfs/dbraw/zinc/56/03/09/390560309.db2.gz BJFNSEFFOAYHEQ-WCQYABFASA-N 1 0 266.345 0.156 10 0 CCAERO COC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000520245915 390562357 /nfs/dbraw/zinc/56/23/57/390562357.db2.gz XTHMVNJXRLKNIL-WOPDTQHZSA-N 1 0 268.357 0.916 10 0 CCAERO COC[C@@]1(C(=O)N(C)Cc2cscn2)CCC[NH2+]1 ZINC000649308488 390568131 /nfs/dbraw/zinc/56/81/31/390568131.db2.gz JXZMVMYDTNENRD-GFCCVEGCSA-N 1 0 269.370 0.870 10 0 CCAERO COC[C@]1(C(=O)N2CCN3CCCC[C@H]3C2)CCC[NH2+]1 ZINC000649311354 390569576 /nfs/dbraw/zinc/56/95/76/390569576.db2.gz JRXKDOJQCDNCES-ZFWWWQNUSA-N 1 0 281.400 0.452 10 0 CCAERO Cc1csc([C@H](C)NC(=O)[C@H]2C[NH2+]CCOC2)n1 ZINC000649320396 390577127 /nfs/dbraw/zinc/57/71/27/390577127.db2.gz YTWGJOWKAHXTDL-UWVGGRQHSA-N 1 0 269.370 0.865 10 0 CCAERO O=C(Cn1cnc2ccccc21)NC[C@@H]1CC[NH2+]C1 ZINC000649355737 390604123 /nfs/dbraw/zinc/60/41/23/390604123.db2.gz DGSBUTBNKWPUEF-LLVKDONJSA-N 1 0 258.325 0.762 10 0 CCAERO COC[C@]1(C(=O)N(C)CC2CCOCC2)CCC[NH2+]1 ZINC000649374270 390609273 /nfs/dbraw/zinc/60/92/73/390609273.db2.gz AXBSACHPYSDLMX-AWEZNQCLSA-N 1 0 270.373 0.640 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cccnc1C(F)(F)F ZINC000647040300 390763213 /nfs/dbraw/zinc/76/32/13/390763213.db2.gz SJOPBLWIXSOREO-APPZFPTMSA-N 1 0 289.257 0.411 10 0 CCAERO CN(C)c1cccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000647040690 390763598 /nfs/dbraw/zinc/76/35/98/390763598.db2.gz HMXFIJCXABQTNB-WCQYABFASA-N 1 0 263.341 0.063 10 0 CCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000647045372 390764833 /nfs/dbraw/zinc/76/48/33/390764833.db2.gz JOBCVVVGKKHQRD-SCZZXKLOSA-N 1 0 275.308 0.579 10 0 CCAERO CC(C)[NH2+]CCCNc1nnnn1-c1ccccc1 ZINC000572587719 390790664 /nfs/dbraw/zinc/79/06/64/390790664.db2.gz JCGCSHMFQMSCDU-UHFFFAOYSA-N 1 0 260.345 0.884 10 0 CCAERO COc1cccc(S(=O)(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000647325194 390813185 /nfs/dbraw/zinc/81/31/85/390813185.db2.gz ZUOXFEIWTNGTRL-QWHCGFSZSA-N 1 0 298.364 0.057 10 0 CCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2cnns2)C1 ZINC000192049900 130357680 /nfs/dbraw/zinc/35/76/80/130357680.db2.gz OYNSNLREQUAYEF-BDAKNGLRSA-N 1 0 297.384 0.322 10 0 CCAERO O=C(NCC[S@](=O)Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000237889672 131063136 /nfs/dbraw/zinc/06/31/36/131063136.db2.gz PCIKHOSTPAOHKZ-DJJJIMSYSA-N 1 0 280.393 0.661 10 0 CCAERO Nc1cccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252455949 131135343 /nfs/dbraw/zinc/13/53/43/131135343.db2.gz BDIBHYHMYMSODL-LBPRGKRZSA-N 1 0 281.381 0.738 10 0 CCAERO Cc1ccccc1C1(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000262483396 131224473 /nfs/dbraw/zinc/22/44/73/131224473.db2.gz IEXOZDFTESOVCH-TZMCWYRMSA-N 1 0 274.364 0.866 10 0 CCAERO O=C(NCCCc1nc2ccccc2[nH]1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262528595 131229684 /nfs/dbraw/zinc/22/96/84/131229684.db2.gz PEEUCIAMQNXHEZ-GWCFXTLKSA-N 1 0 288.351 0.335 10 0 CCAERO C[C@H](CO)CCCNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262712477 131253911 /nfs/dbraw/zinc/25/39/11/131253911.db2.gz FUGFDXKXDIARJX-QWHCGFSZSA-N 1 0 294.399 0.946 10 0 CCAERO C[C@H](CO)CCCNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262712479 131254557 /nfs/dbraw/zinc/25/45/57/131254557.db2.gz FUGFDXKXDIARJX-STQMWFEESA-N 1 0 294.399 0.946 10 0 CCAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cnn3cccnc23)C1 ZINC000264032584 131383982 /nfs/dbraw/zinc/38/39/82/131383982.db2.gz SPBDFHNDUBEGIU-SNVBAGLBSA-N 1 0 259.313 0.505 10 0 CCAERO Cc1ccc2c(c1)N(CC(=O)NCC[NH+](C)C)CC(=O)O2 ZINC000031844906 134758996 /nfs/dbraw/zinc/75/89/96/134758996.db2.gz RODZKWSGBYNRKN-UHFFFAOYSA-N 1 0 291.351 0.398 10 0 CCAERO CCn1cc(CN(C)C(=O)[C@@H]2CC[C@@H]([NH3+])C2)cn1 ZINC000575120727 335068895 /nfs/dbraw/zinc/06/88/95/335068895.db2.gz HIFPYJKYIKZODC-VXGBXAGGSA-N 1 0 250.346 0.989 10 0 CCAERO CC(C)CCS(=O)(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000658409119 413138941 /nfs/dbraw/zinc/13/89/41/413138941.db2.gz ZOUAHRXLAVYZQN-UHFFFAOYSA-N 1 0 288.373 0.106 10 0 CCAERO CNC(=O)Cc1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000037027959 397379852 /nfs/dbraw/zinc/37/98/52/397379852.db2.gz ITAZBIPEQHSDLN-LBPRGKRZSA-N 1 0 275.352 0.913 10 0 CCAERO [NH3+][C@H](Cc1ccccc1)C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000037001073 397379937 /nfs/dbraw/zinc/37/99/37/397379937.db2.gz FVHASGBLQJTQQI-HZSPNIEDSA-N 1 0 262.353 0.976 10 0 CCAERO CCC(=O)N1CSC[C@H]1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000104189690 143927154 /nfs/dbraw/zinc/92/71/54/143927154.db2.gz PKUIVKIWTJUCBG-MNOVXSKESA-N 1 0 285.413 0.366 10 0 CCAERO O=C(CSc1ccc(F)cc1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262138847 143941146 /nfs/dbraw/zinc/94/11/46/143941146.db2.gz HAHIJCLDXWHTFF-CABZTGNLSA-N 1 0 284.356 0.614 10 0 CCAERO CN(CC(=O)N1CCCC1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000037818190 397387610 /nfs/dbraw/zinc/38/76/10/397387610.db2.gz RNSNZKPZPFMPRC-NSHDSACASA-N 1 0 253.346 0.067 10 0 CCAERO CN(CC1CCCCC1)C(=O)[C@H]([NH3+])CCS(C)(=O)=O ZINC000037818854 397387806 /nfs/dbraw/zinc/38/78/06/397387806.db2.gz WXNLYQCWOYGTTB-GFCCVEGCSA-N 1 0 290.429 0.787 10 0 CCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@@H]2CCCC[C@H]2O)C[C@@H]1C ZINC000343540108 397458922 /nfs/dbraw/zinc/45/89/22/397458922.db2.gz WUWIJINKIOIPDM-ZQDZILKHSA-N 1 0 298.427 0.841 10 0 CCAERO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)[C@@H]1CNC(=O)C1 ZINC000371288835 144325549 /nfs/dbraw/zinc/32/55/49/144325549.db2.gz FSIYVIFKHQQQRW-LBPRGKRZSA-N 1 0 273.336 0.561 10 0 CCAERO CO[C@H]1C[C@@H](C(N)=O)[N@H+](C[C@H]2CCO[C@H](C)C2)C1 ZINC000408033423 286089857 /nfs/dbraw/zinc/08/98/57/286089857.db2.gz LXQMARVWCDJZKM-RHYQMDGZSA-N 1 0 256.346 0.376 10 0 CCAERO CCOC[C@H](O)C[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000330871718 286171341 /nfs/dbraw/zinc/17/13/41/286171341.db2.gz RCVGNWYJUDJMIH-ZJUUUORDSA-N 1 0 271.279 0.773 10 0 CCAERO CCO[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[NH2+]C2)C12CCOCC2 ZINC000333857447 286268485 /nfs/dbraw/zinc/26/84/85/286268485.db2.gz YOYZQNFZNDGIBR-JHJVBQTASA-N 1 0 297.399 0.622 10 0 CCAERO CCO[C@@H]1C[C@H](NC(=O)N2CCC[C@H]2C[NH3+])[C@]12CCCO2 ZINC000333714455 286350988 /nfs/dbraw/zinc/35/09/88/286350988.db2.gz FVJKCTWZCSYMIL-RMRHIDDWSA-N 1 0 297.399 0.846 10 0 CCAERO CCO[C@H]1C[C@H]([NH2+]CCCOCCO)C12CCOCC2 ZINC000186498084 286539937 /nfs/dbraw/zinc/53/99/37/286539937.db2.gz SSVUIWJQLGDTPH-KBPBESRZSA-N 1 0 287.400 0.949 10 0 CCAERO CS[C@@H]1CN(C(=O)[C@@H]2CCCCC(=O)N2)C[C@@H]1[NH+](C)C ZINC000363923377 286701612 /nfs/dbraw/zinc/70/16/12/286701612.db2.gz GHRHMJAUUGRXIJ-SDDRHHMPSA-N 1 0 299.440 0.549 10 0 CCAERO COC[C@H](CCNC(=O)[C@H]1CCC[C@H]1C[NH3+])OC ZINC000659334619 413427782 /nfs/dbraw/zinc/42/77/82/413427782.db2.gz CIRKVUBISDFYBF-SRVKXCTJSA-N 1 0 258.362 0.529 10 0 CCAERO CN(Cc1cn(C)nn1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000659367343 413451006 /nfs/dbraw/zinc/45/10/06/413451006.db2.gz IESSSYKTNRIAIW-UWVGGRQHSA-N 1 0 251.334 0.291 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCS(=O)(=O)CC ZINC000136074854 287224398 /nfs/dbraw/zinc/22/43/98/287224398.db2.gz WTBJPSWRMAJHRA-CHWSQXEVSA-N 1 0 274.430 0.980 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NC[C@@H]1CCCO1 ZINC000246256957 287229992 /nfs/dbraw/zinc/22/99/92/287229992.db2.gz KGMUJNVFLHHECA-ILXRZTDVSA-N 1 0 295.427 0.840 10 0 CCAERO CN(C)C(=O)CC1(CC(=O)N2CC[NH2+]CC2)CCCC1 ZINC000006711654 170230845 /nfs/dbraw/zinc/23/08/45/170230845.db2.gz MRSFOAWYOGAIEY-UHFFFAOYSA-N 1 0 281.400 0.847 10 0 CCAERO Cn1cc(CCNC(=O)[C@H]2CCC[C@H]2C[NH3+])cn1 ZINC000128139933 411716141 /nfs/dbraw/zinc/71/61/41/411716141.db2.gz YIUMYMVPBDHTNO-RYUDHWBXSA-N 1 0 250.346 0.454 10 0 CCAERO C[C@@H]1C[C@@H](C)CN(C(=O)Cn2cc(C[NH3+])nn2)C1 ZINC000050224767 411676015 /nfs/dbraw/zinc/67/60/15/411676015.db2.gz BYYWUGUQTIZLFT-NXEZZACHSA-N 1 0 251.334 0.241 10 0 CCAERO CCOc1ccccc1NC(=O)Cn1cc(C[NH3+])nn1 ZINC000050224303 411676746 /nfs/dbraw/zinc/67/67/46/411676746.db2.gz SXMHBWUWPAUMNV-UHFFFAOYSA-N 1 0 275.312 0.774 10 0 CCAERO C[C@H]1C[C@H](C)CN(C(=O)Cn2cc(C[NH3+])nn2)C1 ZINC000050224766 411677178 /nfs/dbraw/zinc/67/71/78/411677178.db2.gz BYYWUGUQTIZLFT-UWVGGRQHSA-N 1 0 251.334 0.241 10 0 CCAERO COc1ccc(COCCn2cc(C[NH3+])nn2)cc1 ZINC000052643203 411681353 /nfs/dbraw/zinc/68/13/53/411681353.db2.gz YAJNXJAEDUHELM-UHFFFAOYSA-N 1 0 262.313 0.962 10 0 CCAERO CC(C)([NH3+])c1cn(Cc2cc(=O)n3ccccc3n2)nn1 ZINC000070118015 411690147 /nfs/dbraw/zinc/69/01/47/411690147.db2.gz VXSNRPGBIMGWMS-UHFFFAOYSA-N 1 0 284.323 0.528 10 0 CCAERO O=C([C@@H]1CC12CC[NH2+]CC2)N1CC[C@H](N2CCOCC2)C1 ZINC000070256635 411691830 /nfs/dbraw/zinc/69/18/30/411691830.db2.gz CWEIDJQIFKDZFY-KBPBESRZSA-N 1 0 293.411 0.309 10 0 CCAERO CC1(C)CC(NC(=O)[C@@H]2CNC(=O)C2)CC(C)(C)[NH2+]1 ZINC000110367264 411702388 /nfs/dbraw/zinc/70/23/88/411702388.db2.gz KURXVUZWUSLDAD-VIFPVBQESA-N 1 0 267.373 0.548 10 0 CCAERO [NH3+]C1CCC(C(=O)NCCNC(=O)C2CC2)CC1 ZINC000133197103 411729863 /nfs/dbraw/zinc/72/98/63/411729863.db2.gz IWPZTBVGCQOYOK-UHFFFAOYSA-N 1 0 253.346 0.146 10 0 CCAERO C[C@H](NC(=O)[C@@H]1CCC[C@H]1C[NH3+])c1cnn(C)c1 ZINC000305314724 411743996 /nfs/dbraw/zinc/74/39/96/411743996.db2.gz DADNKGPSLVGRFY-JBLDHEPKSA-N 1 0 250.346 0.972 10 0 CCAERO CCc1cc(N2CCO[C@@H]([C@@H](C)[NH3+])C2)nc(C)n1 ZINC000132881676 411727385 /nfs/dbraw/zinc/72/73/85/411727385.db2.gz NHRHKZWDZJKTJD-BXKDBHETSA-N 1 0 250.346 0.900 10 0 CCAERO CCOC(=O)N1CC[NH2+]C[C@@H]1c1ccnc(N)c1 ZINC000616638406 411840385 /nfs/dbraw/zinc/84/03/85/411840385.db2.gz ZLTNRVJAVTUFMC-SNVBAGLBSA-N 1 0 250.302 0.767 10 0 CCAERO O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019483707 170811551 /nfs/dbraw/zinc/81/15/51/170811551.db2.gz KEKWVPKNTLEGMT-FIQHERPVSA-N 1 0 286.397 0.210 10 0 CCAERO COCc1nc(C[NH2+]CC[C@]2(O)CCOC2)cs1 ZINC000651942995 411966187 /nfs/dbraw/zinc/96/61/87/411966187.db2.gz AHZGKNYCVUVPSK-LBPRGKRZSA-N 1 0 272.370 0.921 10 0 CCAERO [NH3+]Cc1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000020189092 171054522 /nfs/dbraw/zinc/05/45/22/171054522.db2.gz ATSFRHRVGFITTA-UHFFFAOYSA-N 1 0 274.317 0.305 10 0 CCAERO CCN(CCO)[C@@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000020226372 171091498 /nfs/dbraw/zinc/09/14/98/171091498.db2.gz AYMZMLRBNSVNPQ-LBPRGKRZSA-N 1 0 266.341 0.772 10 0 CCAERO Cc1c(C(=O)NCC[C@@H]2CCCC[NH2+]2)cnn1C ZINC000020251967 171104383 /nfs/dbraw/zinc/10/43/83/171104383.db2.gz OYNZHDHBRLALCF-NSHDSACASA-N 1 0 250.346 0.991 10 0 CCAERO CNC(=O)NC(=O)[C@H](C)[NH2+]Cc1ccc(OC)cc1 ZINC000020302886 171140481 /nfs/dbraw/zinc/14/04/81/171140481.db2.gz SHFFJQZYHQKVJW-VIFPVBQESA-N 1 0 265.313 0.629 10 0 CCAERO CNC(=O)NC(=O)[C@H](C)Oc1cccc([C@@H](C)[NH3+])c1 ZINC000020419783 171185054 /nfs/dbraw/zinc/18/50/54/171185054.db2.gz NIOBEYPYWHTRJA-BDAKNGLRSA-N 1 0 265.313 0.929 10 0 CCAERO COc1ccccc1CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000020433918 171199077 /nfs/dbraw/zinc/19/90/77/171199077.db2.gz LXHQWBQEXCEMOL-MNOVXSKESA-N 1 0 250.298 0.034 10 0 CCAERO C[C@@H]1CN(S(=O)(=O)c2ccccc2C[NH3+])CCO1 ZINC000022164596 171365391 /nfs/dbraw/zinc/36/53/91/171365391.db2.gz GILBDHMPRBZWQS-SNVBAGLBSA-N 1 0 270.354 0.555 10 0 CCAERO NC(=O)C1CCN(S(=O)(=O)c2cccc(C[NH3+])c2)CC1 ZINC000022170259 171367615 /nfs/dbraw/zinc/36/76/15/171367615.db2.gz GHYDJZDLKGBKCK-UHFFFAOYSA-N 1 0 297.380 0.031 10 0 CCAERO CCN1CCN(S(=O)(=O)c2ccccc2C[NH3+])CC1 ZINC000022172636 171368786 /nfs/dbraw/zinc/36/87/86/171368786.db2.gz YWLZCZDQEVABBA-UHFFFAOYSA-N 1 0 283.397 0.472 10 0 CCAERO CCC[C@@H](O)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653089542 412214395 /nfs/dbraw/zinc/21/43/95/412214395.db2.gz KYJNIUPBOHVQAT-IWSPIJDZSA-N 1 0 268.279 0.662 10 0 CCAERO O=C(NC1CCOCC1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653070310 412208474 /nfs/dbraw/zinc/20/84/74/412208474.db2.gz RIXVIKPQQVGSTJ-RKDXNWHRSA-N 1 0 266.263 0.680 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc2ccncc2c1 ZINC000653138837 412238322 /nfs/dbraw/zinc/23/83/22/412238322.db2.gz LTCRGUSIGKXZJE-KBPBESRZSA-N 1 0 271.320 0.545 10 0 CCAERO CCN1C[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC1=O ZINC000653167962 412249779 /nfs/dbraw/zinc/24/97/79/412249779.db2.gz KEOPUVMDEKUONU-DJLDLDEBSA-N 1 0 293.289 0.121 10 0 CCAERO NC(=O)[C@]1(O)CCCN(Cc2cc(F)cc(F)c2)C1 ZINC000284903119 196153143 /nfs/dbraw/zinc/15/31/43/196153143.db2.gz SBHLZQRDBJBUOI-ZDUSSCGKSA-N 1 0 270.279 0.777 10 0 CCAERO C[NH2+]Cc1cccc(O[C@@H](C)C(=O)NC(N)=O)c1 ZINC000034816001 171869141 /nfs/dbraw/zinc/86/91/41/171869141.db2.gz UMGORUZBEBYASZ-QMMMGPOBSA-N 1 0 251.286 0.368 10 0 CCAERO C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCO[C@@H](CO)C1 ZINC000407998358 287263526 /nfs/dbraw/zinc/26/35/26/287263526.db2.gz PMSOFGZQNJDBIU-CHWSQXEVSA-N 1 0 270.373 0.471 10 0 CCAERO CC(=O)NCC[NH2+]CC(=O)Nc1c(F)cccc1F ZINC000035159787 172017749 /nfs/dbraw/zinc/01/77/49/172017749.db2.gz QSURYYWEFHCDNN-UHFFFAOYSA-N 1 0 271.267 0.629 10 0 CCAERO Cn1nnnc1SCCOc1ccc(C[NH3+])cc1 ZINC000035722686 172378276 /nfs/dbraw/zinc/37/82/76/172378276.db2.gz OFNGUUZBEASGHP-UHFFFAOYSA-N 1 0 265.342 0.840 10 0 CCAERO [NH3+]C[C@@H](CN1CCS(=O)(=O)CC1)c1ccccc1 ZINC000036159884 172479732 /nfs/dbraw/zinc/47/97/32/172479732.db2.gz PXZJBGUCPIMHTA-ZDUSSCGKSA-N 1 0 268.382 0.459 10 0 CCAERO [NH3+][C@H]1CC[C@@H]2CN(C(=O)C3=COCCO3)C[C@@H]2C1 ZINC000036261625 172554653 /nfs/dbraw/zinc/55/46/53/172554653.db2.gz VWMRODCRIYVBGR-VWYCJHECSA-N 1 0 252.314 0.460 10 0 CCAERO O=C(NCCN1CC[NH2+]CC1)c1ccc(Cl)cc1O ZINC000036278501 172570163 /nfs/dbraw/zinc/57/01/63/172570163.db2.gz UZQXFXHVBGXYBX-UHFFFAOYSA-N 1 0 283.759 0.681 10 0 CCAERO Cn1ccc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000285626392 196347615 /nfs/dbraw/zinc/34/76/15/196347615.db2.gz DTAWKLRPZKHQCX-STQMWFEESA-N 1 0 263.341 0.570 10 0 CCAERO C[N@@H+]1CC[C@@H]2OCCN(C(=O)COc3cccnc3)[C@H]2C1 ZINC000285655262 196355923 /nfs/dbraw/zinc/35/59/23/196355923.db2.gz GCWDUXRRHCTSJM-KBPBESRZSA-N 1 0 291.351 0.392 10 0 CCAERO COc1ccc(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)cc1F ZINC000037290813 173096111 /nfs/dbraw/zinc/09/61/11/173096111.db2.gz LKJICLLUBPMISW-WPRPVWTQSA-N 1 0 254.261 0.496 10 0 CCAERO NC(=O)CN(C(=O)c1ccccc1F)[C@H]1CC[NH2+]C1 ZINC000037540577 173262011 /nfs/dbraw/zinc/26/20/11/173262011.db2.gz DEMUZGNCUZYZRU-VIFPVBQESA-N 1 0 265.288 0.115 10 0 CCAERO NC(=O)CN(Cc1ccccc1F)C1CC[NH2+]CC1 ZINC000037542949 173263795 /nfs/dbraw/zinc/26/37/95/173263795.db2.gz KTPNJRIALYTMLR-UHFFFAOYSA-N 1 0 265.332 0.865 10 0 CCAERO CCC(=O)NC1CCN(C(=O)[C@@H]([NH3+])[C@@H](C)CC)CC1 ZINC000037814258 173762176 /nfs/dbraw/zinc/76/21/76/173762176.db2.gz CPSKGPHPQVUDMV-GWCFXTLKSA-N 1 0 269.389 0.877 10 0 CCAERO CC[C@@H]1C[C@@H](C[N@@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)CCO1 ZINC000408160505 287283457 /nfs/dbraw/zinc/28/34/57/287283457.db2.gz JICFAQORYIJVMZ-XQHKEYJVSA-N 1 0 270.373 0.766 10 0 CCAERO C[C@H](CNC(=O)[C@H]1CSCN1)[NH+]1CCCCC1 ZINC000038029413 174020466 /nfs/dbraw/zinc/02/04/66/174020466.db2.gz QQYFNLWASYBBEK-GHMZBOCLSA-N 1 0 257.403 0.640 10 0 CCAERO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]CCCS(C)(=O)=O ZINC000038048115 174058741 /nfs/dbraw/zinc/05/87/41/174058741.db2.gz MPJURQMMISIDTP-ZJUUUORDSA-N 1 0 264.391 0.314 10 0 CCAERO O=S1(=O)CC[C@H](C[NH2+][C@H]2COc3cc(O)ccc32)C1 ZINC000038082923 174092541 /nfs/dbraw/zinc/09/25/41/174092541.db2.gz KMFVMGMMJDYPJD-SKDRFNHKSA-N 1 0 283.349 0.850 10 0 CCAERO CCN(CC)C(=O)[C@@H](C)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000038084070 174093487 /nfs/dbraw/zinc/09/34/87/174093487.db2.gz CTTCEKCDAVXBKF-MNOVXSKESA-N 1 0 276.402 0.268 10 0 CCAERO CCC[C@](C)([NH3+])C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000038083816 174093495 /nfs/dbraw/zinc/09/34/95/174093495.db2.gz LJBKKUOUXZFPLJ-KOLCDFICSA-N 1 0 262.375 0.055 10 0 CCAERO C[NH2+]Cc1cccc(OC)c1O[C@@H]1CCS(=O)(=O)C1 ZINC000038084624 174095219 /nfs/dbraw/zinc/09/52/19/174095219.db2.gz OGNAZAKFWXYJOF-LLVKDONJSA-N 1 0 285.365 0.981 10 0 CCAERO Cc1nc(C)c([C@H](C)[NH2+]C[C@@H](C)N(C)C)c(=O)[nH]1 ZINC000038087518 174099632 /nfs/dbraw/zinc/09/96/32/174099632.db2.gz YXGWSWMEZPDRES-BDAKNGLRSA-N 1 0 252.362 0.987 10 0 CCAERO C[C@@H](C[NH2+][C@@H]1CC(=O)N(C2CCCC2)C1=O)N(C)C ZINC000038089026 174102092 /nfs/dbraw/zinc/10/20/92/174102092.db2.gz DLBYONXVCGEVPY-CMPLNLGQSA-N 1 0 267.373 0.596 10 0 CCAERO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]C1CCC(C(N)=O)CC1 ZINC000038091909 174105706 /nfs/dbraw/zinc/10/57/06/174105706.db2.gz IXFZFEXSKZIWBA-QYNFOATHSA-N 1 0 269.389 0.923 10 0 CCAERO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CC[C@H]1CCCO1 ZINC000038097163 174110900 /nfs/dbraw/zinc/11/09/00/174110900.db2.gz PURDCGIHIXDTMA-NXEZZACHSA-N 1 0 257.334 0.379 10 0 CCAERO CC[NH+]1CCC(N[C@H]2CC(=O)N(C3CC3)C2=O)CC1 ZINC000038098322 174113383 /nfs/dbraw/zinc/11/33/83/174113383.db2.gz TYPFZVXHZRAOBT-LBPRGKRZSA-N 1 0 265.357 0.350 10 0 CCAERO CCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)OCC)CC1 ZINC000038100980 174116073 /nfs/dbraw/zinc/11/60/73/174116073.db2.gz NYPDBRIUGPKJPG-SNVBAGLBSA-N 1 0 257.334 0.415 10 0 CCAERO COC(=O)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000038101871 174117628 /nfs/dbraw/zinc/11/76/28/174117628.db2.gz MOGOMXHVZWLQQV-NWDGAFQWSA-N 1 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/nfs/dbraw/zinc/03/49/00/415034900.db2.gz SPYRPYDAIGVANL-NSHDSACASA-N 1 0 250.346 0.983 10 0 CCAERO CCCc1nccnc1N1CCC([NH2+]CCO)CC1 ZINC000663751712 415123979 /nfs/dbraw/zinc/12/39/79/415123979.db2.gz OXNKLHDWXLNSFT-UHFFFAOYSA-N 1 0 264.373 0.980 10 0 CCAERO CC[C@@H]([NH3+])[C@@H](c1cccs1)N(CCO)CCO ZINC000043105024 174970170 /nfs/dbraw/zinc/97/01/70/174970170.db2.gz ZLVCECUWOYPXJU-PWSUYJOCSA-N 1 0 258.387 0.813 10 0 CCAERO O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@H]1CCS(=O)(=O)C1 ZINC000043590447 175073343 /nfs/dbraw/zinc/07/33/43/175073343.db2.gz ZMPXKYIGHMCUJI-NWDGAFQWSA-N 1 0 288.413 0.317 10 0 CCAERO CC(C)(C)[C@H]([NH3+])C(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000044363716 175167893 /nfs/dbraw/zinc/16/78/93/175167893.db2.gz ZQVUYDHEESROTJ-KCJUWKMLSA-N 1 0 262.375 0.053 10 0 CCAERO [NH3+]CC1(C(=O)N[C@@H]2CCS(=O)(=O)C2)CCCCC1 ZINC000044761957 175246244 /nfs/dbraw/zinc/24/62/44/175246244.db2.gz SIQKFGGTWQGBFR-SNVBAGLBSA-N 1 0 274.386 0.199 10 0 CCAERO COCCc1noc(-c2cccnc2N2CC[C@@H]([NH3+])C2)n1 ZINC000070457981 175940688 /nfs/dbraw/zinc/94/06/88/175940688.db2.gz GPWCPKNMYVYJHG-SNVBAGLBSA-N 1 0 289.339 0.858 10 0 CCAERO CCC[C@H](C)NC(=O)[C@@H](C)N(CCC[NH3+])CCOC ZINC000071224876 176089021 /nfs/dbraw/zinc/08/90/21/176089021.db2.gz AKAIIDSLHWLSPK-QWHCGFSZSA-N 1 0 273.421 0.977 10 0 CCAERO COCCN(CCC(N)=[NH2+])CCc1cccnc1 ZINC000071228982 176090962 /nfs/dbraw/zinc/09/09/62/176090962.db2.gz OARNGVPQQBGMCD-UHFFFAOYSA-N 1 0 250.346 0.899 10 0 CCAERO CN(C)C(=O)CN(C)Cc1ccc(F)cc1C[NH3+] ZINC000071250268 176094959 /nfs/dbraw/zinc/09/49/59/176094959.db2.gz HXFNFTXSRZZEOU-UHFFFAOYSA-N 1 0 253.321 0.804 10 0 CCAERO CCN([C@@H](C)C(=O)NCCCOC)[C@@H]1CC[NH2+]C1 ZINC000071314046 176120350 /nfs/dbraw/zinc/12/03/50/176120350.db2.gz GYQMVBTUVUTAHH-NWDGAFQWSA-N 1 0 257.378 0.211 10 0 CCAERO CC[C@@]1(C(=O)NCc2ccnn2C)CCC[NH2+]C1 ZINC000071334796 176126468 /nfs/dbraw/zinc/12/64/68/176126468.db2.gz GXIQGTLNSUOAPD-CYBMUJFWSA-N 1 0 250.346 0.816 10 0 CCAERO COC(=O)CCc1csc(N2CC[NH2+]CC2)n1 ZINC000071490106 176190338 /nfs/dbraw/zinc/19/03/38/176190338.db2.gz YMNOXKICAPCGIQ-UHFFFAOYSA-N 1 0 255.343 0.658 10 0 CCAERO CCCCCN1C[C@H](CN2CC[NH2+]CC2)CC1=O ZINC000071575017 176202221 /nfs/dbraw/zinc/20/22/21/176202221.db2.gz LNTXXYDFHPWATA-ZDUSSCGKSA-N 1 0 253.390 0.930 10 0 CCAERO COC(=O)c1ccc(Cl)c(NC[C@@H](O)C[NH3+])c1 ZINC000071584875 176209854 /nfs/dbraw/zinc/20/98/54/176209854.db2.gz WFYDPPAVLHMKHE-QMMMGPOBSA-N 1 0 258.705 0.858 10 0 CCAERO CCOc1ccc(C[C@H](CO)N2CC[NH2+]CC2)cc1 ZINC000071597043 176220429 /nfs/dbraw/zinc/22/04/29/176220429.db2.gz DDHGEJRFMAJSQS-CQSZACIVSA-N 1 0 264.369 0.894 10 0 CCAERO Cn1ncc(I)c1C(N)=[NH2+] ZINC000075847945 176804250 /nfs/dbraw/zinc/80/42/50/176804250.db2.gz DYUUXAOWUHAXPW-UHFFFAOYSA-N 1 0 250.043 0.309 10 0 CCAERO COc1ccc(OC)c(Cn2nnc(CC[NH3+])n2)c1 ZINC000076361277 177002023 /nfs/dbraw/zinc/00/20/23/177002023.db2.gz TYMCNUAUQQOOGR-UHFFFAOYSA-N 1 0 263.301 0.240 10 0 CCAERO CCC[C@@H](C[NH3+])CCC(=O)N1CCN(C=O)CC1 ZINC000076660731 177048899 /nfs/dbraw/zinc/04/88/99/177048899.db2.gz FCLXFANLERIPLR-GFCCVEGCSA-N 1 0 255.362 0.442 10 0 CCAERO CC(=O)N1CCN(C(=O)C[C@H](C[NH3+])CC(C)C)CC1 ZINC000076707785 177066304 /nfs/dbraw/zinc/06/63/04/177066304.db2.gz WJCMDQQZVBMDJB-CYBMUJFWSA-N 1 0 269.389 0.688 10 0 CCAERO C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@H]2CN(C)CCO2)C1 ZINC000246412811 287351729 /nfs/dbraw/zinc/35/17/29/287351729.db2.gz LIUVLKLUOPEMAR-KGLIPLIRSA-N 1 0 298.431 0.348 10 0 CCAERO CS(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])CC1 ZINC000685945932 545872551 /nfs/dbraw/zinc/87/25/51/545872551.db2.gz GQMFCZGUCBQELT-RQJHMYQMSA-N 1 0 260.281 0.548 10 0 CCAERO C[C@@H]([NH3+])c1ccc(-n2cc(S(C)(=O)=O)cn2)nc1 ZINC000725242116 545873909 /nfs/dbraw/zinc/87/39/09/545873909.db2.gz GSIRGTKBAWSQEF-MRVPVSSYSA-N 1 0 266.326 0.691 10 0 CCAERO C[C@H]([NH3+])[C@@H](n1cc(S(C)(=O)=O)cn1)C(F)(F)F ZINC000725251701 545876963 /nfs/dbraw/zinc/87/69/63/545876963.db2.gz FIQCJEZPDFCXBO-CAHLUQPWSA-N 1 0 271.264 0.737 10 0 CCAERO CS(=O)(=O)c1cnn(Cc2ccc(C[NH3+])cc2F)c1 ZINC000725253145 545878854 /nfs/dbraw/zinc/87/88/54/545878854.db2.gz QQXGNFDAMHINPP-UHFFFAOYSA-N 1 0 283.328 0.933 10 0 CCAERO COC[C@@H](C)NC(=S)Nc1ccnn1C1C[NH2+]C1 ZINC000725258015 545880522 /nfs/dbraw/zinc/88/05/22/545880522.db2.gz DAQPWCMUHLZACG-MRVPVSSYSA-N 1 0 269.374 0.349 10 0 CCAERO COCCO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH3+] ZINC000725255469 545880975 /nfs/dbraw/zinc/88/09/75/545880975.db2.gz SNGFMTIYVRPTTP-ZJUUUORDSA-N 1 0 260.334 0.596 10 0 CCAERO CS(=O)(=O)N1CCC[C@H]([C@@]23CC[C@H]2CC[NH2+]3)C1 ZINC000725263526 545883192 /nfs/dbraw/zinc/88/31/92/545883192.db2.gz NSUYONVYUGAZFA-SDDRHHMPSA-N 1 0 258.387 0.800 10 0 CCAERO CCCCS(=O)(=O)N1CCC2(CC1)C[NH2+]C[C@@H](C)O2 ZINC000725272367 545887830 /nfs/dbraw/zinc/88/78/30/545887830.db2.gz PLMJXPCJRKTYME-GFCCVEGCSA-N 1 0 290.429 0.959 10 0 CCAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)NC[C@H]1CCCO1 ZINC000192804140 227299364 /nfs/dbraw/zinc/29/93/64/227299364.db2.gz MYXPBMQZGJKKSD-QWHCGFSZSA-N 1 0 285.388 0.311 10 0 CCAERO C[C@H](NC(=O)CC(C)(C)[NH3+])c1ccc(S(N)(=O)=O)cc1 ZINC000084166084 544490075 /nfs/dbraw/zinc/49/00/75/544490075.db2.gz PKBBDDRINNPOGF-VIFPVBQESA-N 1 0 299.396 0.639 10 0 CCAERO CC(C)(CNC(=O)[C@@H]1CCC[C@H]1C[NH3+])S(C)(=O)=O ZINC000093526116 544542536 /nfs/dbraw/zinc/54/25/36/544542536.db2.gz GPXDRYAHPHTJRC-VHSXEESVSA-N 1 0 276.402 0.301 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCCn1ccnc1 ZINC000094647187 544546209 /nfs/dbraw/zinc/54/62/09/544546209.db2.gz ZAMRILSAUIJNFH-RYUDHWBXSA-N 1 0 250.346 0.778 10 0 CCAERO CCN(CC(=O)N(C)C)C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000094647520 544546420 /nfs/dbraw/zinc/54/64/20/544546420.db2.gz QBDDYDOCSRTAGM-WDEREUQCSA-N 1 0 255.362 0.311 10 0 CCAERO CC1(CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)COC1 ZINC000094722377 544547490 /nfs/dbraw/zinc/54/74/90/544547490.db2.gz LUNZUBACHHPBNZ-SNVBAGLBSA-N 1 0 266.263 0.681 10 0 CCAERO CCN(CC(=O)N(C)C)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089451124 544512884 /nfs/dbraw/zinc/51/28/84/544512884.db2.gz LDVVAVAJBYYTAG-WDEREUQCSA-N 1 0 255.362 0.298 10 0 CCAERO CC(C)C(=O)NCCNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089459392 544514266 /nfs/dbraw/zinc/51/42/66/544514266.db2.gz QULHHSZTCLEPRF-MNOVXSKESA-N 1 0 255.362 0.250 10 0 CCAERO NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000097092369 544553242 /nfs/dbraw/zinc/55/32/42/544553242.db2.gz CTCOXCJRELTBHB-DTWKUNHWSA-N 1 0 283.353 0.400 10 0 CCAERO O=C(COC1CC[NH2+]CC1)N[C@H]1CCC[C@@H](O)C1 ZINC000111757671 544563425 /nfs/dbraw/zinc/56/34/25/544563425.db2.gz AXHCSIBPCKQWGV-WDEREUQCSA-N 1 0 256.346 0.175 10 0 CCAERO [NH3+]C1(C(=O)NC[C@H]2Cc3ccccc32)CCOCC1 ZINC000127792112 544609074 /nfs/dbraw/zinc/60/90/74/544609074.db2.gz TZOYJDGVNZHTHT-GFCCVEGCSA-N 1 0 260.337 0.950 10 0 CCAERO Cc1cc(NC(=O)CN(C)C(=O)C[C@@H]([NH3+])C(C)C)no1 ZINC000136393482 544638886 /nfs/dbraw/zinc/63/88/86/544638886.db2.gz JLIWQQVCLCGSOM-SNVBAGLBSA-N 1 0 282.344 0.753 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000136375610 544639425 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ZINC000227391210 544835138 /nfs/dbraw/zinc/83/51/38/544835138.db2.gz CCZHPXCFVMUAHY-QJPTWQEYSA-N 1 0 288.413 0.397 10 0 CCAERO C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H](O)COCc1ccco1 ZINC000226442871 544830013 /nfs/dbraw/zinc/83/00/13/544830013.db2.gz HXFPCLMPUKUKDB-LOWVWBTDSA-N 1 0 255.314 0.924 10 0 CCAERO CCOc1cnc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000189147260 544789128 /nfs/dbraw/zinc/78/91/28/544789128.db2.gz BLYKAMJRLNUUOF-NSHDSACASA-N 1 0 276.340 0.796 10 0 CCAERO C[C@@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[C@H](C)[NH3+] ZINC000228599431 544844539 /nfs/dbraw/zinc/84/45/39/544844539.db2.gz KKYZPYQULBRNEB-UTLUCORTSA-N 1 0 299.396 0.495 10 0 CCAERO C[C@]1(C(N)=O)CCN(C(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000235731505 544877036 /nfs/dbraw/zinc/87/70/36/544877036.db2.gz JJHSDPYCUFAPBP-STQMWFEESA-N 1 0 253.346 0.243 10 0 CCAERO O[C@@H]1CCCC[C@H]1[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000245606354 544905809 /nfs/dbraw/zinc/90/58/09/544905809.db2.gz KCHAWGBZBHWYHG-MGPQQGTHSA-N 1 0 265.357 0.887 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@]1(O)CCSC1 ZINC000247400841 544912284 /nfs/dbraw/zinc/91/22/84/544912284.db2.gz LNCAZGOMQLITMM-MDZLAQPJSA-N 1 0 270.398 0.550 10 0 CCAERO COc1cc(C)nc(N2CCO[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000252782203 544931579 /nfs/dbraw/zinc/93/15/79/544931579.db2.gz RUHIIBGMUDPWIC-VHSXEESVSA-N 1 0 252.318 0.346 10 0 CCAERO CCN1CCO[C@H](C[NH2+][C@H](C)CS(=O)(=O)CC)C1 ZINC000252761312 544931972 /nfs/dbraw/zinc/93/19/72/544931972.db2.gz XQPLNMHXWVKZHN-VXGBXAGGSA-N 1 0 278.418 0.120 10 0 CCAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000253266365 544932437 /nfs/dbraw/zinc/93/24/37/544932437.db2.gz XMRIOQCFUVQDBW-BLXSCJOCSA-N 1 0 296.411 0.939 10 0 CCAERO O=C(CCOc1ccccc1Cl)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262056018 544937922 /nfs/dbraw/zinc/93/79/22/544937922.db2.gz AMPANBLBONIVBN-JQWIXIFHSA-N 1 0 298.770 0.805 10 0 CCAERO CCCOc1cccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000262080336 544938725 /nfs/dbraw/zinc/93/87/25/544938725.db2.gz CJQZSXXPAZORAY-GXTWGEPZSA-N 1 0 278.352 0.786 10 0 CCAERO O[C@@H]1C[NH2+]C[C@H]1CNCc1cccc2c1OCCO2 ZINC000262107065 544940294 /nfs/dbraw/zinc/94/02/94/544940294.db2.gz JRTXUNDRTOMLNY-VXGBXAGGSA-N 1 0 264.325 0.128 10 0 CCAERO Cc1ncc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c(C(C)C)n1 ZINC000262123696 544940753 /nfs/dbraw/zinc/94/07/53/544940753.db2.gz GBDDHOOHVXKFKS-CMPLNLGQSA-N 1 0 278.356 0.219 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1c(F)c(F)cc(F)c1F ZINC000262107001 544941120 /nfs/dbraw/zinc/94/11/20/544941120.db2.gz FCPRWWCGPBFSMW-XNCJUZBTSA-N 1 0 292.232 0.553 10 0 CCAERO O=C(Cc1ccc2c(c1)CCCC2)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262117468 544941261 /nfs/dbraw/zinc/94/12/61/544941261.db2.gz FQVLJAUHYBNVKD-HOTGVXAUSA-N 1 0 288.391 0.804 10 0 CCAERO CSc1ccccc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262150686 544941579 /nfs/dbraw/zinc/94/15/79/544941579.db2.gz HSNBSITZGHPLFS-GXSJLCMTSA-N 1 0 266.366 0.719 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)N(C)CC2CC2)C1 ZINC000329696726 545025127 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QFVVGSONFKPAQA-SCZZXKLOSA-N 1 0 254.261 0.496 10 0 CCAERO CC[C@@H]([NH3+])[C@@H](Sc1n[nH]c(=O)n1C)C(F)(F)F ZINC000061592754 522649741 /nfs/dbraw/zinc/64/97/41/522649741.db2.gz WZCYXGMNOBNTAF-RFZPGFLSSA-N 1 0 270.280 0.869 10 0 CCAERO CN(Cc1cccc(C[NH3+])c1)C(=O)[C@@H]1COCCO1 ZINC000055297082 523299891 /nfs/dbraw/zinc/29/98/91/523299891.db2.gz MLWJAZVEQKKYNL-ZDUSSCGKSA-N 1 0 264.325 0.519 10 0 CCAERO CN(C)C(=O)Cc1nc(CN2CC[C@H]([NH3+])C2)cs1 ZINC000050243402 523999440 /nfs/dbraw/zinc/99/94/40/523999440.db2.gz RBBMOPCRNIGOLE-VIFPVBQESA-N 1 0 268.386 0.307 10 0 CCAERO CNC(=O)[C@@H]1CCCN1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000156090455 524082422 /nfs/dbraw/zinc/08/24/22/524082422.db2.gz CFJKKGYALMSZCM-AAEUAGOBSA-N 1 0 294.399 0.391 10 0 CCAERO C[C@@H](CN1CCOCC1)[NH2+][C@H]1CCCCC[C@@H]1O ZINC000049504258 524631023 /nfs/dbraw/zinc/63/10/23/524631023.db2.gz FGPKDSVQJCAOPL-IHRRRGAJSA-N 1 0 256.390 0.990 10 0 CCAERO CC(=O)c1c(C)[nH]c(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c1C ZINC000262142313 534800741 /nfs/dbraw/zinc/80/07/41/534800741.db2.gz HFNMSKQAXJEQOR-QWRGUYRKSA-N 1 0 279.340 0.144 10 0 CCAERO C[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)CN1CCOCC1 ZINC000163426266 524668919 /nfs/dbraw/zinc/66/89/19/524668919.db2.gz KTGZJIGJFRKDMC-UONOGXRCSA-N 1 0 298.431 0.300 10 0 CCAERO C[C@H]([NH3+])c1ccc(F)cc1O[C@@H](C)C(=O)NC(N)=O ZINC000062745692 524864278 /nfs/dbraw/zinc/86/42/78/524864278.db2.gz JZRBSBRBDQQACP-BQBZGAKWSA-N 1 0 269.276 0.808 10 0 CCAERO C[C@@H]1CN(S(=O)(=O)C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000049632128 525040374 /nfs/dbraw/zinc/04/03/74/525040374.db2.gz NHBSGPVWYQXZQS-GHMZBOCLSA-N 1 0 262.375 0.037 10 0 CCAERO C[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCC[NH2+]2)[C@H](C)CO1 ZINC000049631120 525040797 /nfs/dbraw/zinc/04/07/97/525040797.db2.gz BODVKCJSBUOVIA-UTUOFQBUSA-N 1 0 276.402 0.568 10 0 CCAERO C[C@]([NH3+])(CCCSc1nnc2ccccn21)C(N)=O ZINC000061408413 525146620 /nfs/dbraw/zinc/14/66/20/525146620.db2.gz TWZFOGSNJMTLRA-LBPRGKRZSA-N 1 0 279.369 0.804 10 0 CCAERO Cc1c(C(=O)NC[C@@H]2CCC[C@@H](C)[NH2+]2)cnn1C ZINC000051573500 525621541 /nfs/dbraw/zinc/62/15/41/525621541.db2.gz GIGIWQXIEMGEKQ-KOLCDFICSA-N 1 0 250.346 0.989 10 0 CCAERO O=C(C[NH2+][C@H]1CCN2CCC[C@H]12)N1CCCCC1 ZINC000049568364 526892532 /nfs/dbraw/zinc/89/25/32/526892532.db2.gz PHAANBFHLJXDBW-QWHCGFSZSA-N 1 0 251.374 0.825 10 0 CCAERO NS(=O)(=O)c1ccc(OC2CCC([NH3+])CC2)nc1 ZINC000055143490 527141633 /nfs/dbraw/zinc/14/16/33/527141633.db2.gz PXMNPLFRSLPEQC-UHFFFAOYSA-N 1 0 271.342 0.378 10 0 CCAERO O=S(=O)(C[C@H]1CCCC[NH2+]1)N1CCC[C@H](CO)C1 ZINC000049631153 527185172 /nfs/dbraw/zinc/18/51/72/527185172.db2.gz OWYMHRJDKAFPQK-NWDGAFQWSA-N 1 0 276.402 0.163 10 0 CCAERO [NH3+]C[C@@]1(N2CCN(C3CC3)CC2)CCCSC1 ZINC000061590179 527222310 /nfs/dbraw/zinc/22/23/10/527222310.db2.gz ZAVNHHWJJWSYPF-ZDUSSCGKSA-N 1 0 255.431 0.991 10 0 CCAERO O=S1(=O)CC[C@@H](C[NH2+]CCOCC(F)(F)F)C1 ZINC000049311039 527307870 /nfs/dbraw/zinc/30/78/70/527307870.db2.gz QWXJUDXTFPBZNQ-QMMMGPOBSA-N 1 0 275.292 0.590 10 0 CCAERO Cn1ccn(CC[NH2+]CCc2ccsc2)c(=O)c1=O ZINC000061797454 527412449 /nfs/dbraw/zinc/41/24/49/527412449.db2.gz VMSRFHIUUYTILH-UHFFFAOYSA-N 1 0 279.365 0.441 10 0 CCAERO Cn1nnnc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000337282057 527656754 /nfs/dbraw/zinc/65/67/54/527656754.db2.gz JPBFKPRQVZAFSO-QJPTWQEYSA-N 1 0 265.361 0.726 10 0 CCAERO O=S(=O)(N[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)C1CC1 ZINC000669372145 545206052 /nfs/dbraw/zinc/20/60/52/545206052.db2.gz JLWYEFHIMGLDGX-RNFRBKRXSA-N 1 0 258.265 0.219 10 0 CCAERO CCCNC(=O)NC(=O)CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261591973 535088340 /nfs/dbraw/zinc/08/83/40/535088340.db2.gz MGIMCLQLRJZOPE-SNVBAGLBSA-N 1 0 270.377 0.281 10 0 CCAERO COCCC[NH2+]C1CCC2(CS(=O)(=O)C2)CC1 ZINC000675056138 545320657 /nfs/dbraw/zinc/32/06/57/545320657.db2.gz DIBDDXYVQRDQHY-UHFFFAOYSA-N 1 0 261.387 0.970 10 0 CCAERO CCC[C@]1(CNS(=O)(=O)C2CC2)C[NH2+]CCO1 ZINC000675057407 545320721 /nfs/dbraw/zinc/32/07/21/545320721.db2.gz ACGXNIBTQDVGSR-LLVKDONJSA-N 1 0 262.375 0.227 10 0 CCAERO CCCCS(=O)(=O)N1CCO[C@](C[NH3+])(CCC)C1 ZINC000675059326 545320950 /nfs/dbraw/zinc/32/09/50/545320950.db2.gz ODYLQWHRSOTUCJ-LBPRGKRZSA-N 1 0 278.418 0.946 10 0 CCAERO CCC[C@@]1(C[NH3+])CN(S(=O)(=O)CC)CCO1 ZINC000675059950 545320965 /nfs/dbraw/zinc/32/09/65/545320965.db2.gz YTDSHIVPDHDXBY-SNVBAGLBSA-N 1 0 250.364 0.166 10 0 CCAERO Cn1nnnc1C1=C[C@H]([NH3+])CN(C(=O)OC(C)(C)C)C1 ZINC000675077200 545321397 /nfs/dbraw/zinc/32/13/97/545321397.db2.gz ALQFHYNLNVLUDR-VIFPVBQESA-N 1 0 280.332 0.172 10 0 CCAERO CC1(C)CN(C(=O)c2ccc3nncn3c2)CC[C@H]1[NH3+] ZINC000262011838 535349894 /nfs/dbraw/zinc/34/98/94/535349894.db2.gz OETPUQVKTOMFFE-LLVKDONJSA-N 1 0 273.340 0.929 10 0 CCAERO CC(C)c1ncc(Cl)c(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)n1 ZINC000262322614 535383452 /nfs/dbraw/zinc/38/34/52/535383452.db2.gz RMZYXBBXYCXPPW-PSASIEDQSA-N 1 0 298.774 0.564 10 0 CCAERO CCNC(=O)c1cccc(CNC(=O)[C@H](C)C2C[NH2+]C2)c1 ZINC000262322693 535445511 /nfs/dbraw/zinc/44/55/11/535445511.db2.gz CXGJWEHIUORPIO-LLVKDONJSA-N 1 0 289.379 0.908 10 0 CCAERO CCN(CC)Cc1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263171419 535614263 /nfs/dbraw/zinc/61/42/63/535614263.db2.gz FVBAPJNWCIKMIJ-JTQLQIEISA-N 1 0 253.350 0.488 10 0 CCAERO COC(=O)C[C@@H](NC(=O)C1C[NH2+]C1)c1ccc(F)cc1 ZINC000263231829 536309358 /nfs/dbraw/zinc/30/93/58/536309358.db2.gz AWFZXSGSIOYBIZ-GFCCVEGCSA-N 1 0 280.299 0.766 10 0 CCAERO C[NH2+][C@H](C(=O)N1CCO[C@H]2CCCC[C@H]21)c1cnn(C)c1 ZINC000262295542 536379691 /nfs/dbraw/zinc/37/96/91/536379691.db2.gz ZEHFPBAVCRIVNC-RDBSUJKOSA-N 1 0 292.383 0.851 10 0 CCAERO CNC(=O)c1cc(OC)ccc1NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000262620858 536404380 /nfs/dbraw/zinc/40/43/80/536404380.db2.gz ZPHXSDWBKRWNPB-SECBINFHSA-N 1 0 291.351 0.849 10 0 CCAERO CO[C@H](C)c1nc(CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cs1 ZINC000261910005 536510644 /nfs/dbraw/zinc/51/06/44/536510644.db2.gz XLLGKDQYLCJKKV-IEBDPFPHSA-N 1 0 299.396 0.973 10 0 CCAERO COc1ccc(C[C@H](CO)CNC(=O)[C@H](C)[NH3+])cc1O ZINC000262175716 536530034 /nfs/dbraw/zinc/53/00/34/536530034.db2.gz YABYGZNWYOWBFO-ONGXEEELSA-N 1 0 282.340 0.015 10 0 CCAERO COc1ccccc1/C=C/CNC[C@H]1C[NH2+]C[C@@H]1O ZINC000263143955 536980882 /nfs/dbraw/zinc/98/08/82/536980882.db2.gz CMWKMBIDSVQBJF-HHAVJRIZSA-N 1 0 262.353 0.878 10 0 CCAERO COCc1nc(C[NH2+]C[C@@]2(O)CCO[C@H]2C)cs1 ZINC000683933003 545587546 /nfs/dbraw/zinc/58/75/46/545587546.db2.gz QEPRPCHZTSVUBS-CABZTGNLSA-N 1 0 272.370 0.919 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1COCCO1 ZINC000253548153 581588707 /nfs/dbraw/zinc/58/87/07/581588707.db2.gz DOXWSJQHYGIXSC-JHJVBQTASA-N 1 0 268.357 0.487 10 0 CCAERO [NH3+]C[C@H]1CCN1c1ncncc1I ZINC000757142486 581679264 /nfs/dbraw/zinc/67/92/64/581679264.db2.gz FYNCLQBUVQUTBL-ZCFIWIBFSA-N 1 0 290.108 0.619 10 0 CCAERO CC[C@@H](C)[C@@H]([NH3+])CS(=O)(=O)N1CCOCC1 ZINC000757150847 581696933 /nfs/dbraw/zinc/69/69/33/581696933.db2.gz FYHCNTDDYSJQKV-ZJUUUORDSA-N 1 0 250.364 0.022 10 0 CCAERO CC(C)(C(=O)NCc1cscn1)N1CC[NH2+]CC1 ZINC000131295041 581929165 /nfs/dbraw/zinc/92/91/65/581929165.db2.gz PZEILWJJPQDWTJ-UHFFFAOYSA-N 1 0 268.386 0.443 10 0 CCAERO C[C@H](CNc1cnn(CCOCCO)c1)[NH+](C)C ZINC000757135639 581940823 /nfs/dbraw/zinc/94/08/23/581940823.db2.gz HEYXJRXYGBQTIJ-LLVKDONJSA-N 1 0 256.350 0.254 10 0 CCAERO COc1ccc(C[NH2+][C@H]2C[C@@H](O)[C@@H]2n2cccn2)cn1 ZINC000888076149 617260315 /nfs/dbraw/zinc/26/03/15/617260315.db2.gz BCXGHLPELPFZHR-OUCADQQQSA-N 1 0 274.324 0.751 10 0 CCAERO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000896330012 613940635 /nfs/dbraw/zinc/94/06/35/613940635.db2.gz GAIWEHIFJGMWLC-MNOVXSKESA-N 1 0 277.372 0.582 10 0 CCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C2=COCCO2)C1 ZINC000155488459 614390585 /nfs/dbraw/zinc/39/05/85/614390585.db2.gz OSLMQQFYEFEUDX-MNOVXSKESA-N 1 0 254.330 0.720 10 0 CCAERO CC[C@@H](C(=O)N[C@@H]1C[C@H](O)[C@@H]1n1cccn1)[NH+](C)C ZINC000909196679 615384177 /nfs/dbraw/zinc/38/41/77/615384177.db2.gz LSYXLYHIFJGXJL-NOOOWODRSA-N 1 0 266.345 0.014 10 0 CCAERO CCNC(=O)CC[NH2+][C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 ZINC000886077940 615463227 /nfs/dbraw/zinc/46/32/27/615463227.db2.gz KEPCPXVCKRRTBJ-XQQFMLRXSA-N 1 0 269.389 0.090 10 0 CCAERO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCC[C@H](C(C)=O)C1 ZINC000300263624 616625806 /nfs/dbraw/zinc/62/58/06/616625806.db2.gz WLKFKXVNZPJCTA-FPMFFAJLSA-N 1 0 273.373 0.700 10 0 CCAERO COC(=O)[C@@H]1CCC[N@H+](CCCN2CCOC2=O)C1 ZINC000066832024 625411083 /nfs/dbraw/zinc/41/10/83/625411083.db2.gz UASZEYDUYYLTDN-LLVKDONJSA-N 1 0 270.329 0.714 10 0 CCAERO C[NH+](C)[C@@H]1CCN(C(=O)NCCC2(C)OCCO2)C1 ZINC000185114430 625413459 /nfs/dbraw/zinc/41/34/59/625413459.db2.gz RCYAWWFGZODLBD-LLVKDONJSA-N 1 0 271.361 0.485 10 0 CCAERO CCCCC[C@H](NC(=O)[C@H]1CC[NH2+]C1)C(=O)OC ZINC000161527452 622860370 /nfs/dbraw/zinc/86/03/70/622860370.db2.gz ZAGBXPVLHVBGHR-QWRGUYRKSA-N 1 0 256.346 0.834 10 0 CCAERO COCCS(=O)(=O)CCC[NH2+][C@H](C)COC ZINC000309524525 623036564 /nfs/dbraw/zinc/03/65/64/623036564.db2.gz AXSGJCQWTAETJX-SNVBAGLBSA-N 1 0 253.364 0.062 10 0 CCAERO NC(=O)[C@@H](Cn1cc(Br)cn1)[NH2+]C1CC1 ZINC000045437076 623168716 /nfs/dbraw/zinc/16/87/16/623168716.db2.gz YYMLPMYTVXDSHZ-MRVPVSSYSA-N 1 0 273.134 0.252 10 0 CCAERO COC[C@@]1(C)CC(=O)N(CN2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000177147882 623358613 /nfs/dbraw/zinc/35/86/13/623358613.db2.gz CPQQDPBJNMBUJZ-HIFRSBDPSA-N 1 0 281.400 0.609 10 0 CCAERO CCONC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000166456775 623710205 /nfs/dbraw/zinc/71/02/05/623710205.db2.gz DSZUYDWRIBXPOR-LLVKDONJSA-N 1 0 273.377 0.672 10 0 CCAERO CN(Cc1cccc(Br)c1)C(=O)[C@@H]([NH3+])CO ZINC000258975697 631026957 /nfs/dbraw/zinc/02/69/57/631026957.db2.gz PGVLOWIGQMGGAU-JTQLQIEISA-N 1 0 287.157 0.727 10 0 CCAERO C(c1nc([C@@H]2CN3CCN2CC3)no1)[C@@H]1CCC[NH2+]1 ZINC000094506419 631277296 /nfs/dbraw/zinc/27/72/96/631277296.db2.gz GYLAVJVXGRHMGV-QWRGUYRKSA-N 1 0 263.345 0.036 10 0 CCAERO COCC[C@@H]([NH3+])C(=O)N1CCN2CCCC[C@H]2C1 ZINC000250478935 631546431 /nfs/dbraw/zinc/54/64/31/631546431.db2.gz 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O=C(C[N@@H+]1CCC[C@H]2CCCC[C@H]21)N1CCNC(=O)C1 ZINC000011470601 348017863 /nfs/dbraw/zinc/01/78/63/348017863.db2.gz WKOGNMWBYWVIIK-CHWSQXEVSA-N 1 0 279.384 0.599 10 0 CCAERO COc1cc(OC)c(OC)cc1CNCCC[NH2+]CCO ZINC000013733055 348030750 /nfs/dbraw/zinc/03/07/50/348030750.db2.gz ZTKCZAAZEFBOMB-UHFFFAOYSA-N 1 0 298.383 0.774 10 0 CCAERO Cc1ccc(N2C(=O)C[C@@H](N3CC[NH2+]CC3)C2=O)cc1C ZINC000032500278 348134475 /nfs/dbraw/zinc/13/44/75/348134475.db2.gz MJKFAPOPVLOUSK-CQSZACIVSA-N 1 0 287.363 0.841 10 0 CCAERO CC(C)[NH2+]C[C@@H](O)COc1ccc(CNC(N)=O)cc1 ZINC000033755262 348147397 /nfs/dbraw/zinc/14/73/97/348147397.db2.gz ZZPUFSVPPCJXTH-GFCCVEGCSA-N 1 0 281.356 0.593 10 0 CCAERO CC(C)Oc1ccccc1N1CCN(C[C@H](O)C[NH3+])CC1 ZINC000034420954 348149948 /nfs/dbraw/zinc/14/99/48/348149948.db2.gz ZODFWRZKZYSGPT-CQSZACIVSA-N 1 0 293.411 0.915 10 0 CCAERO CCOC(=O)N1CCC([NH2+][C@@H](C)C(=O)NC2CC2)CC1 ZINC000034937452 348152790 /nfs/dbraw/zinc/15/27/90/348152790.db2.gz OOLMQZZVADMMAI-JTQLQIEISA-N 1 0 283.372 0.864 10 0 CCAERO CC(C)NC(=O)[C@@H](C)N1CCN(C(C)(C)C[NH3+])CC1 ZINC000104066718 185891323 /nfs/dbraw/zinc/89/13/23/185891323.db2.gz LGOMQMNGOQNWLQ-GFCCVEGCSA-N 1 0 270.421 0.254 10 0 CCAERO CCC[C@@H]([NH3+])C(=O)N1CCCN(C(=O)CC)CC1 ZINC000038101610 348227332 /nfs/dbraw/zinc/22/73/32/348227332.db2.gz WJOWPHNRKXAOHD-LLVKDONJSA-N 1 0 255.362 0.585 10 0 CCAERO CN(CCOc1ccccc1)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000037797969 348204590 /nfs/dbraw/zinc/20/45/90/348204590.db2.gz GCEGYIBJVMLQGU-YPMHNXCESA-N 1 0 264.325 0.247 10 0 CCAERO COc1ccc(CN(C)C(=O)[C@@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000037797843 348204785 /nfs/dbraw/zinc/20/47/85/348204785.db2.gz AZMZHZPDYGOPJD-AAEUAGOBSA-N 1 0 264.325 0.376 10 0 CCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2ccccc2F)C1 ZINC000040630611 348239611 /nfs/dbraw/zinc/23/96/11/348239611.db2.gz RHMRHOKMCFBBTC-ZYHUDNBSSA-N 1 0 252.289 0.819 10 0 CCAERO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCOc2ccccc2C1 ZINC000040677855 348241161 /nfs/dbraw/zinc/24/11/61/348241161.db2.gz LMSUJWRSCBOSBJ-NEPJUHHUSA-N 1 0 262.309 0.130 10 0 CCAERO CC(C)(CNC(=O)C1CCC([NH3+])CC1)N1CCOCC1 ZINC000040805284 348242783 /nfs/dbraw/zinc/24/27/83/348242783.db2.gz ITJGJXXWGHFUKO-UHFFFAOYSA-N 1 0 283.416 0.731 10 0 CCAERO COC(=O)[C@H](c1ccc(OC)c(F)c1)N1CC[NH2+]CC1 ZINC000086993228 179375134 /nfs/dbraw/zinc/37/51/34/179375134.db2.gz LZSROYYQMOZXOQ-ZDUSSCGKSA-N 1 0 282.315 0.954 10 0 CCAERO C[NH+](C)C[C@@H](NC(=O)CSCC(N)=O)c1ccccc1 ZINC000042396050 348278309 /nfs/dbraw/zinc/27/83/09/348278309.db2.gz DEVCOVPURHHAQB-GFCCVEGCSA-N 1 0 295.408 0.624 10 0 CCAERO O=C(NCCCCn1ccnc1)[C@H]1CCC[NH2+]C1 ZINC000045109159 348334318 /nfs/dbraw/zinc/33/43/18/348334318.db2.gz NWUGQQPEWMHBQF-LBPRGKRZSA-N 1 0 250.346 0.779 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC(NC(C)=O)CC2)C1 ZINC000051711619 348492949 /nfs/dbraw/zinc/49/29/49/348492949.db2.gz ZIICVLTVYSFYLG-AWEZNQCLSA-N 1 0 296.415 0.781 10 0 CCAERO C[NH2+][C@H](C)C(=O)Nc1ccc(CS(N)(=O)=O)cc1 ZINC000054074163 348540336 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ZINC000195318996 351910347 /nfs/dbraw/zinc/91/03/47/351910347.db2.gz XNVXSQOCQBBOFA-LLVKDONJSA-N 1 0 269.345 0.429 10 0 CCAERO Cn1ncc(CN2CC[NH2+]CC2)c1Br ZINC000217996804 351952638 /nfs/dbraw/zinc/95/26/38/351952638.db2.gz OYDJIIPCNIODCD-UHFFFAOYSA-N 1 0 259.151 0.588 10 0 CCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2ncc(C)s2)C1 ZINC000228509797 352075496 /nfs/dbraw/zinc/07/54/96/352075496.db2.gz YXXGLCZCUHFSTR-RKDXNWHRSA-N 1 0 255.343 0.445 10 0 CCAERO CCOC(=O)COCCN1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000226080629 352018487 /nfs/dbraw/zinc/01/84/87/352018487.db2.gz QRQBPIDNOJIJBK-NEPJUHHUSA-N 1 0 258.362 0.448 10 0 CCAERO CC(=O)NCC1CCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000226306430 352022739 /nfs/dbraw/zinc/02/27/39/352022739.db2.gz YOJPREYWDMIYCI-BXUZGUMPSA-N 1 0 281.400 0.749 10 0 CCAERO CC(C)[C@H](CCO)NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000226342057 352023867 /nfs/dbraw/zinc/02/38/67/352023867.db2.gz KCDRSZCZFGTTLV-LBPRGKRZSA-N 1 0 271.405 0.193 10 0 CCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)c2nnc3ccccn32)C1 ZINC000226689468 352031818 /nfs/dbraw/zinc/03/18/18/352031818.db2.gz XFUPSKKLHOCQGZ-HBNTYKKESA-N 1 0 289.339 0.283 10 0 CCAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CNC(=O)C3)CC[C@H]21 ZINC000228407356 352074178 /nfs/dbraw/zinc/07/41/78/352074178.db2.gz CSJQICANBGGTNC-GRYCIOLGSA-N 1 0 265.357 0.065 10 0 CCAERO C[C@H](CNC(=O)[C@H]1COCCN1)c1nccs1 ZINC000235493128 352184663 /nfs/dbraw/zinc/18/46/63/352184663.db2.gz VGFSYGORJRGACX-RKDXNWHRSA-N 1 0 255.343 0.351 10 0 CCAERO CC1CC[NH+](CCCCNC(=O)[C@@H]2COCCN2)CC1 ZINC000236697069 352206581 /nfs/dbraw/zinc/20/65/81/352206581.db2.gz FDQZBEPSVIVRNP-AWEZNQCLSA-N 1 0 283.416 0.603 10 0 CCAERO O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1COCCN1 ZINC000237989594 352293176 /nfs/dbraw/zinc/29/31/76/352293176.db2.gz MOBKCGLISZAZQU-CQSZACIVSA-N 1 0 281.400 0.498 10 0 CCAERO C[NH2+]C[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1 ZINC000238857042 352302238 /nfs/dbraw/zinc/30/22/38/352302238.db2.gz XVOHBPDPMBWEAY-UWVGGRQHSA-N 1 0 253.325 0.679 10 0 CCAERO CNS(=O)(=O)c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)nc1 ZINC000246189002 352352528 /nfs/dbraw/zinc/35/25/28/352352528.db2.gz RPEDLNJMIONXEW-NSHDSACASA-N 1 0 296.396 0.274 10 0 CCAERO CCOCCN(C)c1cc(N2CCC[C@H]2CO)ncn1 ZINC000245545504 352328766 /nfs/dbraw/zinc/32/87/66/352328766.db2.gz VOTPTCPMEUUOOD-LBPRGKRZSA-N 1 0 280.372 0.910 10 0 CCAERO Cc1nn(C)cc1CN1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000245741601 352336376 /nfs/dbraw/zinc/33/63/76/352336376.db2.gz LWIRXFAALQITRW-NEPJUHHUSA-N 1 0 266.389 0.615 10 0 CCAERO CCOCC[N@@H+]1CCN(Cc2ccnn2C)C[C@H]1C ZINC000245775844 352337000 /nfs/dbraw/zinc/33/70/00/352337000.db2.gz SRJSLISEVWOVBW-CYBMUJFWSA-N 1 0 266.389 0.963 10 0 CCAERO NC(=O)CC[C@@H]1CCC[N@@H+]([C@H]2CCCCNC2=O)C1 ZINC000245903459 352341704 /nfs/dbraw/zinc/34/17/04/352341704.db2.gz QICDZMUFKDKYAR-RYUDHWBXSA-N 1 0 267.373 0.633 10 0 CCAERO C[C@@H]1CC[C@H](C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)O1 ZINC000246034029 352345712 /nfs/dbraw/zinc/34/57/12/352345712.db2.gz 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C[C@H](C(=O)NC[C@@H]1CCCO1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247076661 352397133 /nfs/dbraw/zinc/39/71/33/352397133.db2.gz GUBIBLXLFVXUCQ-RDBSUJKOSA-N 1 0 281.400 0.450 10 0 CCAERO CC(C)CNC(=O)[C@H](C)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247084151 352397497 /nfs/dbraw/zinc/39/74/97/352397497.db2.gz HFCQINSRZPQYHX-STQMWFEESA-N 1 0 271.405 0.410 10 0 CCAERO CC[C@@H](COC)NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247334815 352409914 /nfs/dbraw/zinc/40/99/14/352409914.db2.gz JRCCVIOEWBZFGL-RYUDHWBXSA-N 1 0 255.362 0.901 10 0 CCAERO C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247399509 352412876 /nfs/dbraw/zinc/41/28/76/352412876.db2.gz YHBSWTXLZMNDIB-GHMZBOCLSA-N 1 0 251.334 0.392 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCC(=O)N(C)C ZINC000247458520 352415647 /nfs/dbraw/zinc/41/56/47/352415647.db2.gz QPGDEGLDEJZBTP-NEPJUHHUSA-N 1 0 282.388 0.343 10 0 CCAERO CCNC(=O)NC(=O)CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247521887 352419092 /nfs/dbraw/zinc/41/90/92/352419092.db2.gz WUJRYAYJEMDKRW-GHMZBOCLSA-N 1 0 268.361 0.001 10 0 CCAERO CC(C)CNC(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247515997 352419269 /nfs/dbraw/zinc/41/92/69/352419269.db2.gz WGSOCNVBOYAYBB-OLZOCXBDSA-N 1 0 253.390 0.927 10 0 CCAERO C[N@@H+]1CC[C@H](NC(=O)Cn2cnnn2)[C@H]1c1ccccc1 ZINC000247923188 352426810 /nfs/dbraw/zinc/42/68/10/352426810.db2.gz CETDONNMGJWFMF-GXTWGEPZSA-N 1 0 286.339 0.235 10 0 CCAERO C[N@@H+]1CC[C@H](NC(=O)NCCO)[C@H]1c1ccccc1 ZINC000248137107 352432765 /nfs/dbraw/zinc/43/27/65/352432765.db2.gz XSGXSNDAKQQDLD-QWHCGFSZSA-N 1 0 263.341 0.723 10 0 CCAERO CN(C)c1ccc(NC(=O)CN2C[C@H](O)C[C@H]2CO)cc1 ZINC000248388616 352437841 /nfs/dbraw/zinc/43/78/41/352437841.db2.gz FILNTKGYTFORHH-UONOGXRCSA-N 1 0 293.367 0.119 10 0 CCAERO CC(C)CCNC(=O)[C@@H](C)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247177900 352402769 /nfs/dbraw/zinc/40/27/69/352402769.db2.gz NHTOLVSYSHVRFY-KGLIPLIRSA-N 1 0 285.432 0.800 10 0 CCAERO Cc1n[nH]c(C)c1NC(=O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247212804 352404180 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Cc1cnc(C(=O)N2CC[C@H](CO)[C@H]([NH+](C)C)C2)cn1 ZINC000257175534 352547918 /nfs/dbraw/zinc/54/79/18/352547918.db2.gz BDFWXDWGXJUNSK-DGCLKSJQSA-N 1 0 278.356 0.170 10 0 CCAERO CCOC(=O)C[C@@H](O)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000250655152 352506910 /nfs/dbraw/zinc/50/69/10/352506910.db2.gz BABOWFBSZYWKLZ-NWDGAFQWSA-N 1 0 256.346 0.081 10 0 CCAERO C[C@@H]1CCN(CN2C(=O)c3ccccc3C2=O)C[C@H]1[NH3+] ZINC000251759740 352511715 /nfs/dbraw/zinc/51/17/15/352511715.db2.gz UAUVUDHOXARWBR-ZWNOBZJWSA-N 1 0 273.336 0.909 10 0 CCAERO C[C@@H](O)CN1CCN(C(=O)c2n[nH]c3c2CCC3)C[C@@H]1C ZINC000266182715 352687601 /nfs/dbraw/zinc/68/76/01/352687601.db2.gz CHRLULOESKUSOU-WDEREUQCSA-N 1 0 292.383 0.426 10 0 CCAERO C[C@H](O)CN1CCN(C(=O)c2n[nH]c3c2CCC3)C[C@H]1C ZINC000266182705 352688067 /nfs/dbraw/zinc/68/80/67/352688067.db2.gz CHRLULOESKUSOU-MNOVXSKESA-N 1 0 292.383 0.426 10 0 CCAERO Cc1cc(C)c(C(=O)N2CCO[C@H](C[NH+](C)C)C2)c(=O)[nH]1 ZINC000266830930 352724625 /nfs/dbraw/zinc/72/46/25/352724625.db2.gz IBUMVHDPZDCKGF-GFCCVEGCSA-N 1 0 293.367 0.807 10 0 CCAERO CNC(=O)c1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)cc1 ZINC000282230020 353405214 /nfs/dbraw/zinc/40/52/14/353405214.db2.gz FMBQLLIIWURBDY-GXFFZTMASA-N 1 0 275.352 0.803 10 0 CCAERO Cc1nccn1CCC[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000282537813 353433245 /nfs/dbraw/zinc/43/32/45/353433245.db2.gz ZLLWSSWWHAOSSR-ZYHUDNBSSA-N 1 0 250.346 0.838 10 0 CCAERO CNS(=O)(=O)N1CCN([C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000296123300 353932410 /nfs/dbraw/zinc/93/24/10/353932410.db2.gz YNWUHTRVQFPGPQ-UONOGXRCSA-N 1 0 295.408 0.624 10 0 CCAERO C[C@H](CC[NH+](C)C)Nc1nn2c(nccc2=O)s1 ZINC000301096592 354069561 /nfs/dbraw/zinc/06/95/61/354069561.db2.gz MSJNKVKOEJTLQF-MRVPVSSYSA-N 1 0 267.358 0.903 10 0 CCAERO Cc1nn(C)c(C)c1NC(=O)CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000300086693 354058258 /nfs/dbraw/zinc/05/82/58/354058258.db2.gz MDCKRLFAIPCWBL-GZMMTYOYSA-N 1 0 265.361 0.254 10 0 CCAERO C[C@H](c1ccccc1)N(C)C(=O)CN1C[C@@H](O)[C@H](O)C1 ZINC000300191431 354060247 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MRPIIBNIGIFSEU-CYBMUJFWSA-N 1 0 284.381 0.467 10 0 CCAERO NC(=O)c1ccccc1[C@@H]1CCOCCN1CC[NH3+] ZINC000616598024 365378910 /nfs/dbraw/zinc/37/89/10/365378910.db2.gz LZMDUOOYEUWXFF-ZDUSSCGKSA-N 1 0 263.341 0.508 10 0 CCAERO CC(C)(C)OC(=O)NCC[C@@H]1COCCN(CC[NH3+])C1 ZINC000616661565 365413698 /nfs/dbraw/zinc/41/36/98/365413698.db2.gz UKZRZRIPYZNOOQ-LBPRGKRZSA-N 1 0 287.404 0.808 10 0 CCAERO CC(C)(C)n1cc(C[NH2+][C@@H]2CCOC[C@@H]2O)cn1 ZINC000623764312 367648875 /nfs/dbraw/zinc/64/88/75/367648875.db2.gz BULINSVDMPHMCG-NEPJUHHUSA-N 1 0 253.346 0.878 10 0 CCAERO O=C(NC[C@H](O)C(F)(F)F)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000261572340 283987106 /nfs/dbraw/zinc/98/71/06/283987106.db2.gz TUODVCKMNBDJNY-IMSYWVGJSA-N 1 0 280.290 0.947 10 0 CCAERO O=C([C@H]1C[NH2+]Cc2ccccc21)N1CCS(=O)CC1 ZINC000087618788 296138525 /nfs/dbraw/zinc/13/85/25/296138525.db2.gz MYTDRAFOROTXSY-ZDUSSCGKSA-N 1 0 278.377 0.464 10 0 CCAERO Cc1cccc(OC[C@H](O)C[NH2+][C@H]2CCOC[C@@H]2O)c1 ZINC000629609786 369740254 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CO[C@@H]1CN(C(=O)c2cc(C)nn2C)[C@](C)(C[NH3+])C1 ZINC000630364480 370065568 /nfs/dbraw/zinc/06/55/68/370065568.db2.gz FAEISODXAUUMNM-GWCFXTLKSA-N 1 0 266.345 0.307 10 0 CCAERO CO[C@H]1CN(Cc2nccnc2C)[C@](C)(C[NH3+])C1 ZINC000630368643 370068706 /nfs/dbraw/zinc/06/87/06/370068706.db2.gz SSNKRCWDGXFKSU-YPMHNXCESA-N 1 0 250.346 0.723 10 0 CCAERO CO[C@@H]1CN(Cc2nccnc2C)[C@@](C)(C[NH3+])C1 ZINC000630368642 370068976 /nfs/dbraw/zinc/06/89/76/370068976.db2.gz SSNKRCWDGXFKSU-WCQYABFASA-N 1 0 250.346 0.723 10 0 CCAERO CO[C@H]1CN(S(=O)(=O)CC2CCC2)[C@@](C)(C[NH3+])C1 ZINC000630368355 370069210 /nfs/dbraw/zinc/06/92/10/370069210.db2.gz RCSWPWBCRIVPIV-VXGBXAGGSA-N 1 0 276.402 0.554 10 0 CCAERO CO[C@H]1CN(C(=O)c2cc(C)n(C)n2)[C@@](C)(C[NH3+])C1 ZINC000630369491 370070851 /nfs/dbraw/zinc/07/08/51/370070851.db2.gz KOKSTOREJLVPMD-ZWNOBZJWSA-N 1 0 266.345 0.307 10 0 CCAERO CO[C@@H]1CN(C(=O)CCn2ccnc2)[C@](C)(C[NH3+])C1 ZINC000630370484 370072062 /nfs/dbraw/zinc/07/20/62/370072062.db2.gz FBYMETFWEMSRLF-AAEUAGOBSA-N 1 0 266.345 0.238 10 0 CCAERO CO[C@H]1CN(C(=O)c2c[nH]nc2C)[C@](C)(C[NH3+])C1 ZINC000630370617 370072475 /nfs/dbraw/zinc/07/24/75/370072475.db2.gz ZYRQXMJYMNEJBD-SKDRFNHKSA-N 1 0 252.318 0.296 10 0 CCAERO COCc1cc(C(=O)N2C[C@H](OC)C[C@@]2(C)C[NH3+])no1 ZINC000630371341 370073441 /nfs/dbraw/zinc/07/34/41/370073441.db2.gz KYUJTJIKJBERRQ-MFKMUULPSA-N 1 0 283.328 0.399 10 0 CCAERO COC1CC(C(=O)N2C[C@@H](OC)C[C@]2(C)C[NH3+])C1 ZINC000630375090 370076555 /nfs/dbraw/zinc/07/65/55/370076555.db2.gz MYWIWVNEAQYQPP-TWHWIZHFSA-N 1 0 256.346 0.376 10 0 CCAERO COc1ncccc1C(=O)N1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630376668 370079565 /nfs/dbraw/zinc/07/95/65/370079565.db2.gz FXNJEOOQOZBTQQ-HZMBPMFUSA-N 1 0 279.340 0.669 10 0 CCAERO CCCOc1nccnc1N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000630512415 370140450 /nfs/dbraw/zinc/14/04/50/370140450.db2.gz WASYEFGILCHHGY-QWRGUYRKSA-N 1 0 266.345 0.818 10 0 CCAERO CCc1nc(C)cc(NCC2([NH3+])CCOCC2)n1 ZINC000630526938 370147370 /nfs/dbraw/zinc/14/73/70/370147370.db2.gz OKMYYMDMSLGGMU-UHFFFAOYSA-N 1 0 250.346 0.689 10 0 CCAERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1ccc3nncn3n1)C2 ZINC000630538471 370156858 /nfs/dbraw/zinc/15/68/58/370156858.db2.gz MNKCOOOSRRHIME-BETUJISGSA-N 1 0 258.329 0.560 10 0 CCAERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1ncnc3nc[nH]c31)C2 ZINC000630539295 370158152 /nfs/dbraw/zinc/15/81/52/370158152.db2.gz ZDXRGUTYTOIUJT-BETUJISGSA-N 1 0 258.329 0.789 10 0 CCAERO C[C@@H]1CN(c2ccc(C(=O)N(C)C)cn2)C[C@@H]1C[NH3+] ZINC000630553879 370164974 /nfs/dbraw/zinc/16/49/74/370164974.db2.gz MFPWUSHRUXBFBH-PWSUYJOCSA-N 1 0 262.357 0.814 10 0 CCAERO Brc1cnn(CCCN[C@@H]2CC[NH2+]C2)c1 ZINC000336719175 213592040 /nfs/dbraw/zinc/59/20/40/213592040.db2.gz YXPHLSSARGGMJG-SNVBAGLBSA-N 1 0 273.178 0.987 10 0 CCAERO COC(=O)C[C@@H]1CSCCN1C(=O)C1CC[NH2+]CC1 ZINC000237213108 189869031 /nfs/dbraw/zinc/86/90/31/189869031.db2.gz VKKLHSWADMWEGV-LLVKDONJSA-N 1 0 286.397 0.493 10 0 CCAERO C[C@H](CC(=O)N[C@@H]1CCC(=O)NC1)C1CC[NH2+]CC1 ZINC000237379813 189873927 /nfs/dbraw/zinc/87/39/27/189873927.db2.gz FRFIPXLJPFZNKN-ZYHUDNBSSA-N 1 0 267.373 0.407 10 0 CCAERO CC(=O)N[C@H]1CCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634771668 372222450 /nfs/dbraw/zinc/22/24/50/372222450.db2.gz DOTLSNVZMJSFSE-OBJOEFQTSA-N 1 0 265.357 0.113 10 0 CCAERO O=C(NCCO[C@@H]1CC1(F)F)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634772062 372223210 /nfs/dbraw/zinc/22/32/10/372223210.db2.gz SWNYRFPBVWGFOA-UMNHJUIQSA-N 1 0 274.311 0.917 10 0 CCAERO O=C([C@H]1CCCC[N@H+]1CCC1(O)CC1)N1CCOCC1 ZINC000333108182 205036349 /nfs/dbraw/zinc/03/63/49/205036349.db2.gz RLARSTYQWGCOSX-CYBMUJFWSA-N 1 0 282.384 0.615 10 0 CCAERO Cc1cnn(CCNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000333162310 205081205 /nfs/dbraw/zinc/08/12/05/205081205.db2.gz GQTDOASRGGYRNM-BFHYXJOUSA-N 1 0 291.399 0.960 10 0 CCAERO Cc1cc(NC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)ccn1 ZINC000333193096 205105176 /nfs/dbraw/zinc/10/51/76/205105176.db2.gz SOZSFXWCGCWRFY-AWEZNQCLSA-N 1 0 289.383 0.323 10 0 CCAERO O=C1CCC(=O)N1CC[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000333248347 205152374 /nfs/dbraw/zinc/15/23/74/205152374.db2.gz GENXFJJWTIEHQA-SDDRHHMPSA-N 1 0 266.341 0.228 10 0 CCAERO COc1cncnc1NC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333292117 205189620 /nfs/dbraw/zinc/18/96/20/205189620.db2.gz JKLSAKBQZDMMSU-VIFPVBQESA-N 1 0 265.317 0.749 10 0 CCAERO CCc1nc([C@@H](C)NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)cs1 ZINC000333353130 205245860 /nfs/dbraw/zinc/24/58/60/205245860.db2.gz JWZGLMZJSWCKCW-MIMYLULJSA-N 1 0 298.412 0.741 10 0 CCAERO CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)[C@@H]1CCOC1 ZINC000333354923 205244287 /nfs/dbraw/zinc/24/42/87/205244287.db2.gz SJPLTZRQANITAK-CHWSQXEVSA-N 1 0 290.429 0.815 10 0 CCAERO CN1C[C@H](NC(=O)N[C@@H]2CCCC[NH2+]C2)CCC1=O ZINC000333362658 205254461 /nfs/dbraw/zinc/25/44/61/205254461.db2.gz LIIGLSBDRINNCM-GHMZBOCLSA-N 1 0 268.361 0.049 10 0 CCAERO CN(C(=O)NC[C@H]1CCC(F)(F)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333516129 205395518 /nfs/dbraw/zinc/39/55/18/205395518.db2.gz GDBMJLMXULQQLD-GUBZILKMSA-N 1 0 277.315 0.396 10 0 CCAERO Cn1ncc2c1nc(NCC1([NH3+])CCCCC1)nc2N ZINC000333574015 205456651 /nfs/dbraw/zinc/45/66/51/205456651.db2.gz SIQFNZPQOUFXKB-UHFFFAOYSA-N 1 0 275.360 0.441 10 0 CCAERO CCc1nsc(N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)n1 ZINC000333613181 205504724 /nfs/dbraw/zinc/50/47/24/205504724.db2.gz SHILZMKXSKHDEA-VHSXEESVSA-N 1 0 278.385 0.765 10 0 CCAERO CC(C)C[C@H]1C(=O)NCCCN1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000333641171 205541298 /nfs/dbraw/zinc/54/12/98/205541298.db2.gz IGAWJEWKHWDYNT-STQMWFEESA-N 1 0 296.415 0.542 10 0 CCAERO CC[N@@H+]1CC[C@H](NC(=O)N2CC(NC(=O)C3CC3)C2)C1 ZINC000334127789 206036190 /nfs/dbraw/zinc/03/61/90/206036190.db2.gz QTUISMJVAWEFAG-NSHDSACASA-N 1 0 280.372 0.001 10 0 CCAERO CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000637849744 374406135 /nfs/dbraw/zinc/40/61/35/374406135.db2.gz HUIKPSQYDVVTQM-JHJVBQTASA-N 1 0 269.389 0.781 10 0 CCAERO [NH3+]Cc1ncc(C(=O)NCC[C@@H]2CCCO2)cn1 ZINC000637901178 374461709 /nfs/dbraw/zinc/46/17/09/374461709.db2.gz BFCOVTROQBJNEH-JTQLQIEISA-N 1 0 250.302 0.234 10 0 CCAERO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC[C@@H]2CCCO2)C1 ZINC000637903593 374461786 /nfs/dbraw/zinc/46/17/86/374461786.db2.gz QONVOXFTDKWRDX-GMXVVIOVSA-N 1 0 256.346 0.439 10 0 CCAERO [NH3+]C[C@]1(C(=O)N2CCO[C@H]3CCCC[C@@H]32)CCCOC1 ZINC000637934449 374487411 /nfs/dbraw/zinc/48/74/11/374487411.db2.gz WEQBHGPHYGMOIM-KCQAQPDRSA-N 1 0 282.384 0.912 10 0 CCAERO COC[C@]1(C(=O)NC[C@@H]2CCCC[C@@H]2O)CCCC[NH2+]1 ZINC000638012478 374555953 /nfs/dbraw/zinc/55/59/53/374555953.db2.gz XGCTVWWWLNVVBH-YDHLFZDLSA-N 1 0 284.400 0.812 10 0 CCAERO CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H]2CCCC[C@H]2O)C1 ZINC000638012211 374556053 /nfs/dbraw/zinc/55/60/53/374556053.db2.gz UUUCVLNWHQDGLQ-CZXHOFHRSA-N 1 0 270.373 0.421 10 0 CCAERO [NH3+]Cc1ncc(C(=O)N2CCN3CCCC[C@@H]3C2)cn1 ZINC000638087044 374646688 /nfs/dbraw/zinc/64/66/88/374646688.db2.gz MMIYDUDEHXAXDN-GFCCVEGCSA-N 1 0 275.356 0.246 10 0 CCAERO CC(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000638167302 374746209 /nfs/dbraw/zinc/74/62/09/374746209.db2.gz KUJLAQNGLWUKRJ-RNJOBUHISA-N 1 0 265.357 0.193 10 0 CCAERO CC(=O)N[C@@H](CC(C)C)C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000638330025 374930405 /nfs/dbraw/zinc/93/04/05/374930405.db2.gz CIBILLRFEJOJPW-USWWRNFRSA-N 1 0 255.362 0.343 10 0 CCAERO C[C@@H]1CN(C(=O)[C@H]2CCCN2c2ncccn2)C[C@H]1[NH3+] ZINC000638332328 374932886 /nfs/dbraw/zinc/93/28/86/374932886.db2.gz NXLLNMHMFLOQHR-IJLUTSLNSA-N 1 0 275.356 0.251 10 0 CCAERO C[C@@H]1C[C@H](C(=O)N[C@H](C[NH3+])C(F)(F)F)[C@@H](C)O1 ZINC000638395990 374989947 /nfs/dbraw/zinc/98/99/47/374989947.db2.gz GBRRJDBBHXIOTK-OOJXKGFFSA-N 1 0 254.252 0.806 10 0 CCAERO CCC[C@@H](CNC(=O)[C@@H]1C[NH2+]CCOC1)OCC ZINC000638456568 375060531 /nfs/dbraw/zinc/06/05/31/375060531.db2.gz DMMOHZGLQLANFH-NEPJUHHUSA-N 1 0 258.362 0.544 10 0 CCAERO CCOC[C@@H]1CN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CCO1 ZINC000638602911 375182830 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276.336 0.894 10 0 CCAERO COC(=O)c1ccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)[nH]1 ZINC000281650354 195322351 /nfs/dbraw/zinc/32/23/51/195322351.db2.gz BKGGZHRWTUARQZ-PSASIEDQSA-N 1 0 265.313 0.558 10 0 CCAERO O=C(NC[C@@H]1CC[NH2+]C1)[C@@H]1CCCN1C(=O)C1CC1 ZINC000648109487 390289622 /nfs/dbraw/zinc/28/96/22/390289622.db2.gz TWBQZKKCJIQUQE-PWSUYJOCSA-N 1 0 265.357 0.113 10 0 CCAERO CCN(CCC(F)(F)F)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000648049593 390265223 /nfs/dbraw/zinc/26/52/23/390265223.db2.gz PHTNONRSBJWBPG-HTQZYQBOSA-N 1 0 254.252 0.510 10 0 CCAERO COC[C@@H]1CN(C(=O)C2CCC([NH3+])CC2)CCO1 ZINC000648086068 390276249 /nfs/dbraw/zinc/27/62/49/390276249.db2.gz LAZVEVULFTXAGE-MCIGGMRASA-N 1 0 256.346 0.378 10 0 CCAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2cnn(CC(F)(F)F)c2)C1 ZINC000583618406 390299359 /nfs/dbraw/zinc/29/93/59/390299359.db2.gz UGTUXMMIIMHZCT-IUCAKERBSA-N 1 0 292.261 0.761 10 0 CCAERO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000648188369 390335125 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GAFSHYCZEWPWPL-CHWSQXEVSA-N 1 0 267.373 0.047 10 0 CCAERO CC(C)(C(=O)N1CCC(CCO)CC1)N1CC[NH2+]CC1 ZINC000400922074 411780103 /nfs/dbraw/zinc/78/01/03/411780103.db2.gz GDCQKANDJOEOLW-UHFFFAOYSA-N 1 0 283.416 0.291 10 0 CCAERO C[C@H](C1CC1)N(C)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131224310 411723311 /nfs/dbraw/zinc/72/33/11/411723311.db2.gz UBJSIRXMXLQTFT-LLVKDONJSA-N 1 0 253.390 0.927 10 0 CCAERO C[C@@H]([NH3+])[C@@H]1CN(c2ncnc3c2CCCC3)CCO1 ZINC000132997055 411728259 /nfs/dbraw/zinc/72/82/59/411728259.db2.gz QLQOXZRMZDJUAU-MFKMUULPSA-N 1 0 262.357 0.908 10 0 CCAERO CCn1nccc1CC[N@@H+]1CC[C@@](O)(c2cn[nH]n2)C1 ZINC000284471002 196064116 /nfs/dbraw/zinc/06/41/16/196064116.db2.gz AHMOTCYPZQPKIN-ZDUSSCGKSA-N 1 0 276.344 0.157 10 0 CCAERO Nc1cc([C@H]2c3ccccc3CCN2CC[NH3+])[nH]n1 ZINC000616693312 411842279 /nfs/dbraw/zinc/84/22/79/411842279.db2.gz WQSKYKXQOGVWCT-CQSZACIVSA-N 1 0 257.341 0.898 10 0 CCAERO Nc1n[nH]cc1[C@H]1c2ccccc2CCN1CC[NH3+] ZINC000616691068 411842540 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ZINC000653088547 412213014 /nfs/dbraw/zinc/21/30/14/412213014.db2.gz BDLDPTGJEKXCQI-IVZWLZJFSA-N 1 0 280.290 0.879 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc2ccncc2c1 ZINC000653138838 412238123 /nfs/dbraw/zinc/23/81/23/412238123.db2.gz LTCRGUSIGKXZJE-KGLIPLIRSA-N 1 0 271.320 0.545 10 0 CCAERO O=C([C@@H]1C[NH2+]CCOC1)N1CCOCC12CCC2 ZINC000653168506 412250683 /nfs/dbraw/zinc/25/06/83/412250683.db2.gz DRTSJPCAXJOASB-LLVKDONJSA-N 1 0 254.330 0.004 10 0 CCAERO C[C@](O)(C[NH2+]CCN1CCOCC1)c1cccs1 ZINC000032118354 171710212 /nfs/dbraw/zinc/71/02/12/171710212.db2.gz VUEAJICBNXKHAD-ZDUSSCGKSA-N 1 0 270.398 0.877 10 0 CCAERO NC(=O)[C@]1(O)CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000284905033 196154166 /nfs/dbraw/zinc/15/41/66/196154166.db2.gz SDPRFIQGRRVIMV-ZDUSSCGKSA-N 1 0 252.289 0.638 10 0 CCAERO CC[NH+](CC)CCC[C@@H](C)Nc1nn(C)c(=O)n(C)c1=O ZINC000035179343 172032694 /nfs/dbraw/zinc/03/26/94/172032694.db2.gz PMDOIFCAYJSBHI-LLVKDONJSA-N 1 0 297.403 0.401 10 0 CCAERO CCCCCNC(=O)[C@@H](C)[NH2+]CC(=O)NCCC 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CS(=O)(=O)N1CCc2ccccc2[C@@H]1CC[NH3+] ZINC000036154716 172477948 /nfs/dbraw/zinc/47/79/48/172477948.db2.gz AGSQURSNNBNSJN-LBPRGKRZSA-N 1 0 254.355 0.894 10 0 CCAERO CS(=O)(=O)N[C@@H]1CCC[N@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000659871468 413926206 /nfs/dbraw/zinc/92/62/06/413926206.db2.gz TWZXEKPRYOMDEB-YNEHKIRRSA-N 1 0 290.429 0.551 10 0 CCAERO O=C(Nc1cc2c(cc1Cl)OCCO2)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000037008035 172866173 /nfs/dbraw/zinc/86/61/73/172866173.db2.gz YKESIXLKHBLWAV-XVKPBYJWSA-N 1 0 298.726 0.773 10 0 CCAERO NS(=O)(=O)CC[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000037261934 173071162 /nfs/dbraw/zinc/07/11/62/173071162.db2.gz AXDFLNSYTWIVLS-UHFFFAOYSA-N 1 0 280.353 0.250 10 0 CCAERO CS(=O)(=O)N1CCC([NH2+][C@@H]2C[C@@H]3CC=C[C@H]23)CC1 ZINC000037270383 173081902 /nfs/dbraw/zinc/08/19/02/173081902.db2.gz REIHZBKWNASTGT-WCFLWFBJSA-N 1 0 270.398 0.965 10 0 CCAERO O=C(CN1c2ccccc2CCCC1=O)N1CC[NH2+]CC1 ZINC000037371168 173160333 /nfs/dbraw/zinc/16/03/33/173160333.db2.gz XTRRJGMXKOOARN-UHFFFAOYSA-N 1 0 287.363 0.788 10 0 CCAERO NC(=O)[C@@H]1CCCCN1C(=O)C[NH2+]C1CCCC1 ZINC000037495926 173235956 /nfs/dbraw/zinc/23/59/56/173235956.db2.gz MQHYWYBJGJQPMY-NSHDSACASA-N 1 0 253.346 0.385 10 0 CCAERO CCCN(C(=O)[C@@H](C)n1cncn1)[C@H]1CCC[NH2+]C1 ZINC000037541498 173263325 /nfs/dbraw/zinc/26/33/25/173263325.db2.gz FGNUJLKLXHYCAP-NEPJUHHUSA-N 1 0 265.361 0.830 10 0 CCAERO CCN(CC)C(=O)CCNC(=O)CC[NH2+]C1CC1 ZINC000037752937 173676981 /nfs/dbraw/zinc/67/69/81/173676981.db2.gz SWDGEDLHPAKQAY-UHFFFAOYSA-N 1 0 255.362 0.503 10 0 CCAERO CNC(=O)[C@H]1CCCCN1C(=O)[C@@](C)([NH3+])C1CC1 ZINC000037810872 173755656 /nfs/dbraw/zinc/75/56/56/173755656.db2.gz WETMQCMGSAREGG-MFKMUULPSA-N 1 0 253.346 0.241 10 0 CCAERO CCNC(=O)C1CCN(C(=O)[C@@H]([NH3+])[C@@H](C)CC)CC1 ZINC000037819022 173770344 /nfs/dbraw/zinc/77/03/44/173770344.db2.gz BQLIZSBHBHAHEM-JQWIXIFHSA-N 1 0 269.389 0.735 10 0 CCAERO CC[C@H](C)[NH2+]CC(=O)N1CCC[C@H](CNC(N)=O)C1 ZINC000037820942 173773377 /nfs/dbraw/zinc/77/33/77/173773377.db2.gz PQLOXYUXEMQVHK-WDEREUQCSA-N 1 0 270.377 0.281 10 0 CCAERO CCN1CC[C@H]([N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)C1=O ZINC000660805366 414486188 /nfs/dbraw/zinc/48/61/88/414486188.db2.gz BPILJCRJMWYGMD-CYDGBPFRSA-N 1 0 252.358 0.700 10 0 CCAERO CNC(=O)NC(=O)[C@H](C)[NH2+]Cc1cccc(COC)c1 ZINC000038010864 173978389 /nfs/dbraw/zinc/97/83/89/173978389.db2.gz VTIRERSHRDMTKL-JTQLQIEISA-N 1 0 279.340 0.767 10 0 CCAERO Cc1c(NC2CC[NH2+]CC2)cccc1S(N)(=O)=O ZINC000038041568 174043486 /nfs/dbraw/zinc/04/34/86/174043486.db2.gz YTRFVVSSLHPBFI-UHFFFAOYSA-N 1 0 269.370 0.806 10 0 CCAERO [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)CCc1ccccn1 ZINC000038050210 174061695 /nfs/dbraw/zinc/06/16/95/174061695.db2.gz UYZIOKDDMBBOQM-CHWSQXEVSA-N 1 0 283.397 0.813 10 0 CCAERO COC(=O)c1ccc(N[C@H]2CCCC[C@H]2[NH3+])nn1 ZINC000038051132 174062697 /nfs/dbraw/zinc/06/26/97/174062697.db2.gz MZVAWJPROZKTTK-BDAKNGLRSA-N 1 0 250.302 0.945 10 0 CCAERO CCN(CC)C(=O)[C@@H](C)NC(=O)CC1CC[NH2+]CC1 ZINC000038075190 174085226 /nfs/dbraw/zinc/08/52/26/174085226.db2.gz IFCORYKWNNJSAK-LLVKDONJSA-N 1 0 269.389 0.749 10 0 CCAERO CCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)OCC)CC1 ZINC000038100990 174116191 /nfs/dbraw/zinc/11/61/91/174116191.db2.gz LJHXXFXDLQRROL-NSHDSACASA-N 1 0 271.361 0.805 10 0 CCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCN(C(=O)OC)CC1 ZINC000038101806 174117720 /nfs/dbraw/zinc/11/77/20/174117720.db2.gz MSVUZOFLLOUGSL-NXEZZACHSA-N 1 0 257.334 0.270 10 0 CCAERO CCC(=O)N1CCCN(C(=O)C[NH2+][C@@H](C)CC)CC1 ZINC000038101622 174117934 /nfs/dbraw/zinc/11/79/34/174117934.db2.gz WTDOERHLRFXPCP-LBPRGKRZSA-N 1 0 269.389 0.845 10 0 CCAERO O=C(N[C@@H]1C[C@H]2C[C@@H]1C[NH2+]2)c1cc2cccn2cn1 ZINC000039073301 174162469 /nfs/dbraw/zinc/16/24/69/174162469.db2.gz OCFKTEHHEROZMC-CKYFFXLPSA-N 1 0 256.309 0.815 10 0 CCAERO NNc1[nH+]cnc(Nc2ccc3c(c2)OCO3)c1N ZINC000040684943 174375269 /nfs/dbraw/zinc/37/52/69/174375269.db2.gz KPITWRYNHKHSMV-UHFFFAOYSA-N 1 0 260.257 0.817 10 0 CCAERO Cn1ncc(Cl)c1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000662766489 414774990 /nfs/dbraw/zinc/77/49/90/414774990.db2.gz NHGUUTMDBXJPDN-OYNCUSHFSA-N 1 0 268.748 0.883 10 0 CCAERO CC(C)[C@@H](NC(=O)c1cccc2c1C[NH2+]C2)C(N)=O ZINC000662451100 414719432 /nfs/dbraw/zinc/71/94/32/414719432.db2.gz ZNTJWIVLWGPLGB-GFCCVEGCSA-N 1 0 261.325 0.530 10 0 CCAERO C[C@@H](O)CCNC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662470618 414721230 /nfs/dbraw/zinc/72/12/30/414721230.db2.gz HJNHODAVKFFZEO-MRVPVSSYSA-N 1 0 254.355 0.895 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1CCCC2(CC2)C1 ZINC000662563141 414728785 /nfs/dbraw/zinc/72/87/85/414728785.db2.gz MVKLCTCRPQIFAU-SRVKXCTJSA-N 1 0 252.358 0.653 10 0 CCAERO CN1C[C@H](CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1=O ZINC000662696415 414742904 /nfs/dbraw/zinc/74/29/04/414742904.db2.gz ZTRWSSIIRWIXHA-GARJFASQSA-N 1 0 253.346 0.098 10 0 CCAERO CC(C)(C(=O)N1CC[C@H]2C[C@H]2C1)N1CC[NH2+]CC1 ZINC000662705207 414744043 /nfs/dbraw/zinc/74/40/43/414744043.db2.gz NJXDVAQDFQUPMW-RYUDHWBXSA-N 1 0 251.374 0.539 10 0 CCAERO CC(C)(C(=O)N1CC[C@@H]2COC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000662710051 414744715 /nfs/dbraw/zinc/74/47/15/414744715.db2.gz FQXWLGCJHVQZFC-OLZOCXBDSA-N 1 0 281.400 0.165 10 0 CCAERO COC[C@@H]([NH3+])C(=O)NC[C@@H](OC)C1CCCCC1 ZINC000662732340 414747544 /nfs/dbraw/zinc/74/75/44/414747544.db2.gz AVOVBJKLXSPPFR-VXGBXAGGSA-N 1 0 258.362 0.672 10 0 CCAERO COC[C@]1(C(=O)N[C@@H](CO)C2CCC2)CCC[NH2+]1 ZINC000662855290 414846779 /nfs/dbraw/zinc/84/67/79/414846779.db2.gz WHPCUQMKAPFTPS-AAEUAGOBSA-N 1 0 256.346 0.032 10 0 CCAERO COC[C@H]([NH3+])C(=O)NCc1cnccc1C(F)(F)F ZINC000663003541 414943557 /nfs/dbraw/zinc/94/35/57/414943557.db2.gz XUVSLOYSRNRYOG-VIFPVBQESA-N 1 0 277.246 0.690 10 0 CCAERO CN(C(=O)[C@@H]1CC(=O)N(C2CC2)C1)[C@H](C[NH3+])C(F)(F)F ZINC000662976296 414929857 /nfs/dbraw/zinc/92/98/57/414929857.db2.gz FJGBSOWAZGTOHD-VXNVDRBHSA-N 1 0 293.289 0.345 10 0 CCAERO CN(C(=O)c1cnn(C)c1)[C@@H](C[NH3+])C(F)(F)F ZINC000662976431 414930153 /nfs/dbraw/zinc/93/01/53/414930153.db2.gz FJXRWTOLEPUKAZ-ZETCQYMHSA-N 1 0 250.224 0.382 10 0 CCAERO Cc1cc(C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)[nH]n1 ZINC000662980005 414932524 /nfs/dbraw/zinc/93/25/24/414932524.db2.gz XMNROVXYNFEYRC-SSDOTTSWSA-N 1 0 250.224 0.680 10 0 CCAERO [NH3+]CC1(N2CCCCCC2)CCS(=O)(=O)CC1 ZINC000042332179 174687739 /nfs/dbraw/zinc/68/77/39/174687739.db2.gz IYMYKJRVXRUWGF-UHFFFAOYSA-N 1 0 260.403 0.769 10 0 CCAERO CC1(C)CN(C2(C[NH3+])CCS(=O)(=O)CC2)CCO1 ZINC000042332345 174687897 /nfs/dbraw/zinc/68/78/97/174687897.db2.gz BJWKMAPZCPCQLK-UHFFFAOYSA-N 1 0 276.402 0.003 10 0 CCAERO C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCOC2)C[C@H](C)O1 ZINC000662888654 414872444 /nfs/dbraw/zinc/87/24/44/414872444.db2.gz CIZGVIFMZOYFPR-GRYCIOLGSA-N 1 0 256.346 0.248 10 0 CCAERO CC[C@H](C)N1C(=O)C[C@H]([NH2+][C@@H]2CCN(C)C2)C1=O ZINC000042546364 174787694 /nfs/dbraw/zinc/78/76/94/174787694.db2.gz QVDMPWGEZBPBCU-AXFHLTTASA-N 1 0 253.346 0.206 10 0 CCAERO C[C@@H]1CN(C(=O)C2([NH3+])CCOCC2)C[C@@](C)(C(F)F)O1 ZINC000663006717 414948226 /nfs/dbraw/zinc/94/82/26/414948226.db2.gz YKSBTACVBQLJAB-SKDRFNHKSA-N 1 0 292.326 0.765 10 0 CCAERO CCCc1nccnc1N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000663272350 415032201 /nfs/dbraw/zinc/03/22/01/415032201.db2.gz LNWDFBZUTVKXOU-CYBMUJFWSA-N 1 0 275.400 0.913 10 0 CCAERO C[C@H]([NH3+])[C@H](c1ccccc1)N1CCN(CCO)CC1 ZINC000042901416 174906021 /nfs/dbraw/zinc/90/60/21/174906021.db2.gz YLAUYKLOFVIRIS-DZGCQCFKSA-N 1 0 263.385 0.685 10 0 CCAERO [NH3+][C@H]1CCCC[C@@H]1NS(=O)(=O)c1cncc(F)c1 ZINC000044262010 175157346 /nfs/dbraw/zinc/15/73/46/175157346.db2.gz AULNJDYONFDRTN-QWRGUYRKSA-N 1 0 273.333 0.769 10 0 CCAERO CSCC[NH+]1CCN(c2cc(C)nc3ncnn32)CC1 ZINC000171627894 335072913 /nfs/dbraw/zinc/07/29/13/335072913.db2.gz LPBFQTTZPNIHMD-UHFFFAOYSA-N 1 0 292.412 0.918 10 0 CCAERO COc1ccc(C[C@@](C)(CO)N2CC[NH2+]CC2)cc1 ZINC000071169950 176050500 /nfs/dbraw/zinc/05/05/00/176050500.db2.gz USTHPSWVWHBJRI-HNNXBMFYSA-N 1 0 264.369 0.894 10 0 CCAERO O=c1[nH]c2ccc(CNC[C@@]3(O)CCC[NH2+]C3)cc2[nH]1 ZINC000072408870 176398636 /nfs/dbraw/zinc/39/86/36/176398636.db2.gz ZZLBVCQGRPTKGK-CQSZACIVSA-N 1 0 276.340 0.060 10 0 CCAERO C[NH2+]CCN(Cc1ccc(C)cc1)S(C)(=O)=O ZINC000076663103 177049524 /nfs/dbraw/zinc/04/95/24/177049524.db2.gz AANSLMLGRLSIIQ-UHFFFAOYSA-N 1 0 256.371 0.976 10 0 CCAERO C[NH2+]CCN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000076666434 177051200 /nfs/dbraw/zinc/05/12/00/177051200.db2.gz DKMQSGGBQOAPFP-UHFFFAOYSA-N 1 0 258.343 0.681 10 0 CCAERO CS(=O)(=O)N1CC[C@H]([NH3+])[C@@H](C(F)(F)F)CC1 ZINC000685945929 545872414 /nfs/dbraw/zinc/87/24/14/545872414.db2.gz GQMFCZGUCBQELT-BQBZGAKWSA-N 1 0 260.281 0.548 10 0 CCAERO CS(=O)(=O)c1cnn(Cc2cc(N)cc[nH+]2)c1 ZINC000725242056 545873444 /nfs/dbraw/zinc/87/34/44/545873444.db2.gz CJYDOQMOBKWPCG-UHFFFAOYSA-N 1 0 252.299 0.312 10 0 CCAERO CC(C)[NH2+]C[C@@H](O)CCCn1cc(S(C)(=O)=O)cn1 ZINC000725251583 545876576 /nfs/dbraw/zinc/87/65/76/545876576.db2.gz BZOCZZDBPQQBOI-NSHDSACASA-N 1 0 289.401 0.426 10 0 CCAERO CS(=O)(=O)c1cnn([C@H](CC[NH3+])C(F)(F)F)c1 ZINC000725252178 545876741 /nfs/dbraw/zinc/87/67/41/545876741.db2.gz KDEQPDUQFNIHQA-SSDOTTSWSA-N 1 0 271.264 0.739 10 0 CCAERO CCC[NH2+][C@@H](COC)Cn1cc(S(C)(=O)=O)cn1 ZINC000725251674 545877532 /nfs/dbraw/zinc/87/75/32/545877532.db2.gz DOYAWOJQGIRQAU-SNVBAGLBSA-N 1 0 275.374 0.301 10 0 CCAERO CCO[C@@H](C[NH3+])CCn1cc(S(C)(=O)=O)cn1 ZINC000725252867 545878094 /nfs/dbraw/zinc/87/80/94/545878094.db2.gz OZAOUGLYSZLSJP-SECBINFHSA-N 1 0 261.347 0.041 10 0 CCAERO Cn1nccc1-c1c(C[NH3+])nnn1CC(C)(C)F ZINC000725257080 545880788 /nfs/dbraw/zinc/88/07/88/545880788.db2.gz GIVMMXNGSHNZLW-UHFFFAOYSA-N 1 0 252.297 0.885 10 0 CCAERO COC[C@@H](C)n1nnc(C[NH3+])c1-c1ccnn1C ZINC000725257410 545879960 /nfs/dbraw/zinc/87/99/60/545879960.db2.gz OHHPZAYDQNARSE-MRVPVSSYSA-N 1 0 250.306 0.345 10 0 CCAERO CCS(=O)(=O)N1CC[C@@H]([NH3+])[C@H](C(F)(F)F)CC1 ZINC000725262642 545882582 /nfs/dbraw/zinc/88/25/82/545882582.db2.gz JOXUJTXLCPFZHN-HTQZYQBOSA-N 1 0 274.308 0.938 10 0 CCAERO C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000407962284 287427256 /nfs/dbraw/zinc/42/72/56/287427256.db2.gz MTBDOVTWCUZSPW-UTUOFQBUSA-N 1 0 267.373 0.489 10 0 CCAERO CCOC(=O)c1cn([C@H]2CCOC3(CC[NH2+]CC3)C2)nn1 ZINC000725272542 545887870 /nfs/dbraw/zinc/88/78/70/545887870.db2.gz PFEUGBRTVNUEEP-NSHDSACASA-N 1 0 294.355 0.929 10 0 CCAERO CC(C)NC(=O)N1C[C@H](C)OC2(CC[NH2+]CC2)C1 ZINC000725272261 545888334 /nfs/dbraw/zinc/88/83/34/545888334.db2.gz OKMVNUAMLXSJSR-NSHDSACASA-N 1 0 255.362 0.947 10 0 CCAERO O=S(=O)(C[C@]12CC[NH2+][C@H]1CCCC2)NC1CC1 ZINC000725272912 545889466 /nfs/dbraw/zinc/88/94/66/545889466.db2.gz UDHNGBKOQFNAGQ-RYUDHWBXSA-N 1 0 258.387 0.991 10 0 CCAERO Cn1cc([C@@H]2OCC[C@H]2NC(=O)[C@H]([NH3+])C2CCC2)cn1 ZINC000333645215 228208010 /nfs/dbraw/zinc/20/80/10/228208010.db2.gz XZYLALRCOGYUOZ-UPJWGTAASA-N 1 0 278.356 0.494 10 0 CCAERO CN(CC(=O)N1CCCC1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054291345 544442817 /nfs/dbraw/zinc/44/28/17/544442817.db2.gz JJOQPAVUAZGEQC-LBPRGKRZSA-N 1 0 267.373 0.457 10 0 CCAERO NC(=O)CN(C(=O)C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000054291887 544443509 /nfs/dbraw/zinc/44/35/09/544443509.db2.gz LLLVEBTVGRKDJN-NSHDSACASA-N 1 0 267.373 0.633 10 0 CCAERO C[C@H](O)CCNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000085990045 544496778 /nfs/dbraw/zinc/49/67/78/544496778.db2.gz HEOXXEWDNFRACH-CBAPKCEASA-N 1 0 254.252 0.416 10 0 CCAERO C[C@@H]1CN(C(=O)Cn2cc(C(C)(C)[NH3+])nn2)C[C@@H](C)O1 ZINC000078470755 544469276 /nfs/dbraw/zinc/46/92/76/544469276.db2.gz FUGDBBZQLAZBKM-NXEZZACHSA-N 1 0 281.360 0.108 10 0 CCAERO Cc1cc(C)c(O)c(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000094574505 544544922 /nfs/dbraw/zinc/54/49/22/544544922.db2.gz OFRHLRULUYAMRH-MWLCHTKSSA-N 1 0 250.298 0.670 10 0 CCAERO CCNC(=O)CN(CC)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089455389 544513102 /nfs/dbraw/zinc/51/31/02/544513102.db2.gz OCPUZAAKSFTGFS-GHMZBOCLSA-N 1 0 255.362 0.346 10 0 CCAERO COCCn1cc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])cn1 ZINC000089454031 544513151 /nfs/dbraw/zinc/51/31/51/544513151.db2.gz DEOWLUBRQXDDBY-JQWIXIFHSA-N 1 0 266.345 0.843 10 0 CCAERO CC(C)NC(=O)CN(C)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089455528 544513349 /nfs/dbraw/zinc/51/33/49/544513349.db2.gz WDWFRJMCXVOQIX-QWRGUYRKSA-N 1 0 255.362 0.344 10 0 CCAERO CC[C@H](C)NC(=O)CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089458132 544514684 /nfs/dbraw/zinc/51/46/84/544514684.db2.gz NRQTUZCCYUAZAR-QJPTWQEYSA-N 1 0 269.389 0.782 10 0 CCAERO CC(=O)N1CCCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089460745 544514690 /nfs/dbraw/zinc/51/46/90/544514690.db2.gz IAFLIBSPHRDYOL-QWHCGFSZSA-N 1 0 267.373 0.442 10 0 CCAERO Cc1nc(C[N@@H+]2CC(C)(C)[C@@](C)(O)C2)cc(=O)[nH]1 ZINC000092066645 544529466 /nfs/dbraw/zinc/52/94/66/544529466.db2.gz XGJBXDZVDYSFNP-ZDUSSCGKSA-N 1 0 251.330 0.671 10 0 CCAERO O=C(N[C@H]1CCCNC1=O)c1cccc2c1CC[NH2+]C2 ZINC000124251360 544587746 /nfs/dbraw/zinc/58/77/46/544587746.db2.gz ROLSZOOOIPAANO-ZDUSSCGKSA-N 1 0 273.336 0.341 10 0 CCAERO COc1cc(OC)nc(N2CCO[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000135012255 544632748 /nfs/dbraw/zinc/63/27/48/544632748.db2.gz BQZPRJPCHAAONL-BDAKNGLRSA-N 1 0 268.317 0.046 10 0 CCAERO CC(C)(CNC(=O)[C@]1(C)CCCC[NH2+]1)S(C)(=O)=O ZINC000136184086 544637946 /nfs/dbraw/zinc/63/79/46/544637946.db2.gz QKAWJSUWTFCGPI-LBPRGKRZSA-N 1 0 276.402 0.458 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000136467261 544638517 /nfs/dbraw/zinc/63/85/17/544638517.db2.gz AXFKCDCSAOTNOL-NXEZZACHSA-N 1 0 262.375 0.053 10 0 CCAERO COc1c(CN2CCO[C@@H]([C@@H](C)[NH3+])C2)c(C)nn1C ZINC000158513215 544688868 /nfs/dbraw/zinc/68/88/68/544688868.db2.gz IUOCAWUYYDOLNR-BXKDBHETSA-N 1 0 268.361 0.285 10 0 CCAERO COC[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000159131025 544692894 /nfs/dbraw/zinc/69/28/94/544692894.db2.gz HPKTZDHMRXWELB-CBAPKCEASA-N 1 0 278.312 0.007 10 0 CCAERO COC[C@H]([NH3+])C(=O)N(C)CC(=O)N(C)C1CCCCC1 ZINC000159351928 544693084 /nfs/dbraw/zinc/69/30/84/544693084.db2.gz PTVIGFYFGRWTTH-LBPRGKRZSA-N 1 0 285.388 0.210 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCCCS(C)(=O)=O ZINC000163299943 544716539 /nfs/dbraw/zinc/71/65/39/544716539.db2.gz LSKIAMQEKGAPEZ-CHWSQXEVSA-N 1 0 274.430 0.980 10 0 CCAERO C[C@H]1C[C@H]1NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000179310692 544751715 /nfs/dbraw/zinc/75/17/15/544751715.db2.gz ZGBYVEHFFVOYBC-WCQYABFASA-N 1 0 268.405 0.720 10 0 CCAERO CNC(=O)[C@H]([NH2+]CCOCC(F)(F)F)C(C)C ZINC000183634695 544766854 /nfs/dbraw/zinc/76/68/54/544766854.db2.gz LYTXETFAHGALHN-MRVPVSSYSA-N 1 0 256.268 0.926 10 0 CCAERO CNC(=O)[C@H]([NH2+]CCCN1CCOCC1)C(C)C ZINC000183671848 544769398 /nfs/dbraw/zinc/76/93/98/544769398.db2.gz KCTPMUIXPUCFEH-GFCCVEGCSA-N 1 0 257.378 0.069 10 0 CCAERO FC(F)(F)c1nsc(NC[C@H]2COCC[NH2+]2)n1 ZINC000228794025 544845997 /nfs/dbraw/zinc/84/59/97/544845997.db2.gz OUGQGCNPYAUCHD-YFKPBYRVSA-N 1 0 268.264 0.957 10 0 CCAERO CN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000250436177 544922946 /nfs/dbraw/zinc/92/29/46/544922946.db2.gz SCIAUGNXSSKKEU-GARJFASQSA-N 1 0 274.386 0.007 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cccc2cnccc21 ZINC000262064016 544938345 /nfs/dbraw/zinc/93/83/45/544938345.db2.gz BCPJPIWZRHFGMK-SMDDNHRTSA-N 1 0 271.320 0.545 10 0 CCAERO Cc1ccc(C)c(OCCC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262127649 544940837 /nfs/dbraw/zinc/94/08/37/544940837.db2.gz GFNXDMNMHWKECI-KGLIPLIRSA-N 1 0 292.379 0.769 10 0 CCAERO COc1ccc(OC)c(CNC[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000262119062 544941083 /nfs/dbraw/zinc/94/10/83/544941083.db2.gz LSWKMMHLPQXKHP-DGCLKSJQSA-N 1 0 266.341 0.374 10 0 CCAERO C[C@@H]1CN(CC[NH2+][C@@H]2CCC(=O)N[C@H]2C)C[C@@H](C)O1 ZINC000313808388 545015253 /nfs/dbraw/zinc/01/52/53/545015253.db2.gz VVEZAIVDSNWVTO-FVCCEPFGSA-N 1 0 269.389 0.352 10 0 CCAERO C[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CCOCC1 ZINC000333941443 545044678 /nfs/dbraw/zinc/04/46/78/545044678.db2.gz OZKUUSCYZWNSII-MCIONIFRSA-N 1 0 296.415 0.243 10 0 CCAERO COC[C@H](C)OC[C@H](O)C[NH2+]C[C@H](O)C(C)(C)C ZINC000324488415 545017014 /nfs/dbraw/zinc/01/70/14/545017014.db2.gz KWTVKQLEOKOSOU-TUAOUCFPSA-N 1 0 263.378 0.395 10 0 CCAERO CS(=O)(=O)CC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000328196655 545017497 /nfs/dbraw/zinc/01/74/97/545017497.db2.gz CNYDXBPIAWPZRY-VXGBXAGGSA-N 1 0 261.387 0.656 10 0 CCAERO Cn1cc(-c2nc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)nn1 ZINC000329600123 545023723 /nfs/dbraw/zinc/02/37/23/545023723.db2.gz PYAKVXDCPQMQMR-PSASIEDQSA-N 1 0 276.300 0.401 10 0 CCAERO O=C(NC1CC[NH+](C2CC2)CC1)[C@@H]1OC[C@H]2COCC[C@H]21 ZINC000332866719 545035815 /nfs/dbraw/zinc/03/58/15/545035815.db2.gz ILUCIDHPRUCUKE-KCPJHIHWSA-N 1 0 294.395 0.781 10 0 CCAERO CCO[C@@H]1COC[C@H]1NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000334092640 545045444 /nfs/dbraw/zinc/04/54/44/545045444.db2.gz OTGKBBRQAHCNJH-REWJHTLYSA-N 1 0 297.399 0.526 10 0 CCAERO C[C@H]1OCC[C@@H]1NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000333745651 545042441 /nfs/dbraw/zinc/04/24/41/545042441.db2.gz RZSAOXDJGSOOHG-NEPJUHHUSA-N 1 0 271.361 0.185 10 0 CCAERO CN1CCN(c2ccnc3cccnc32)[C@H](C[NH3+])C1 ZINC000394222868 260125943 /nfs/dbraw/zinc/12/59/43/260125943.db2.gz IGNWYCOXVMTNIW-LLVKDONJSA-N 1 0 257.341 0.709 10 0 CCAERO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1C[C@H](F)C[C@H]1C(N)=O ZINC000408064889 287682190 /nfs/dbraw/zinc/68/21/90/287682190.db2.gz MDPYHMJTLKYMSC-DBIOUOCHSA-N 1 0 271.336 0.284 10 0 CCAERO C[C@@H]1CN(C(=O)C[N@@H+]2CCCC[C@@H]2CC(N)=O)C[C@H](C)O1 ZINC000103287294 274324078 /nfs/dbraw/zinc/32/40/78/274324078.db2.gz IUQJNIMUQDYTCS-FRRDWIJNSA-N 1 0 297.399 0.352 10 0 CCAERO CCN(CC)C(=O)CN1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000247126887 276089653 /nfs/dbraw/zinc/08/96/53/276089653.db2.gz KAXKZFKTAIXSFB-STQMWFEESA-N 1 0 271.405 0.242 10 0 CCAERO CCCC[C@@H](NC(N)=O)C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186524869 276240611 /nfs/dbraw/zinc/24/06/11/276240611.db2.gz WRPJWSPSAITVLS-DGCLKSJQSA-N 1 0 296.415 0.957 10 0 CCAERO CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 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ULGPOTJFNIGQSG-MNOVXSKESA-N 1 0 271.361 0.707 10 0 CCAERO C[C@@H]1C[C@@H](O)CN(C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333746989 277987564 /nfs/dbraw/zinc/98/75/64/277987564.db2.gz YLUVQWMDDRSUBL-GRYCIOLGSA-N 1 0 255.362 0.541 10 0 CCAERO CC(=O)N1CCC[N@@H+]([C@@H]2CCCCNC2=O)CC1 ZINC000010208508 278003670 /nfs/dbraw/zinc/00/36/70/278003670.db2.gz JTMGOWNYVBTNRN-GFCCVEGCSA-N 1 0 253.346 0.209 10 0 CCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000423659411 278098806 /nfs/dbraw/zinc/09/88/06/278098806.db2.gz DZNTXMAASASMLZ-HRDYMLBCSA-N 1 0 293.289 0.345 10 0 CCAERO C[C@@](O)(C[N@@H+]1CC[C@H](N2CCOCC2)C1)C(F)(F)F ZINC000336816936 278116306 /nfs/dbraw/zinc/11/63/06/278116306.db2.gz NXOBQYFKQPBMRA-WDEREUQCSA-N 1 0 282.306 0.706 10 0 CCAERO CS[C@@H]1CN(C(=O)[C@@H]2CC(=O)N[C@@H](C)C2)C[C@@H]1[NH+](C)C ZINC000408204569 278150290 /nfs/dbraw/zinc/15/02/90/278150290.db2.gz VFXDQVQJUKSRBU-FIQHERPVSA-N 1 0 299.440 0.405 10 0 CCAERO CC1(C)CCC[C@@H]1[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 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CC1(C)CN(S(=O)(=O)N2CCCCC2)CC[C@H]1[NH3+] ZINC000261589270 281252934 /nfs/dbraw/zinc/25/29/34/281252934.db2.gz WFIPWCNMUYGOTQ-LLVKDONJSA-N 1 0 275.418 0.776 10 0 CCAERO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000407952689 282016907 /nfs/dbraw/zinc/01/69/07/282016907.db2.gz ACLLLRQSBIOYJR-IJLUTSLNSA-N 1 0 281.400 0.890 10 0 CCAERO C[C@@H]1C[C@H](C(=O)NC2(C[NH+](C)C)CCC2)CC(=O)N1 ZINC000408068855 288625424 /nfs/dbraw/zinc/62/54/24/288625424.db2.gz YFNYJNXIWSEKRQ-MNOVXSKESA-N 1 0 267.373 0.502 10 0 CCAERO C[C@@H]1[C@H](O)CCCN1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333665937 289062614 /nfs/dbraw/zinc/06/26/14/289062614.db2.gz MIOWNANGUWZLCF-IJLUTSLNSA-N 1 0 255.362 0.683 10 0 CCAERO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H]1CCC(=O)N(C)C1=O ZINC000333610877 296977911 /nfs/dbraw/zinc/97/79/11/296977911.db2.gz RYHBQGUDPBQZQX-YUSALJHKSA-N 1 0 265.357 0.206 10 0 CCAERO Cc1csc(=O)n1CC[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000282395643 293019583 /nfs/dbraw/zinc/01/95/83/293019583.db2.gz PFPIBZJSNWWLKX-UWVGGRQHSA-N 1 0 269.370 0.475 10 0 CCAERO Cc1nc(CN2CCCC[C@H]([NH+]3CCN(C)CC3)C2)no1 ZINC000136067797 293263662 /nfs/dbraw/zinc/26/36/62/293263662.db2.gz UILGVEJKYOSRAL-AWEZNQCLSA-N 1 0 293.415 0.980 10 0 CCAERO [NH3+][C@@H]1CCCC[C@@H]1NC1=NS(=O)(=O)c2ccccc21 ZINC000038050801 295298432 /nfs/dbraw/zinc/29/84/32/295298432.db2.gz QZMYDGPHWADHAJ-MNOVXSKESA-N 1 0 279.365 0.995 10 0 CCAERO OC1(CC[N@@H+]2CC[C@H](N3CCOCC3)C2)CCC1 ZINC000396768080 545088636 /nfs/dbraw/zinc/08/86/36/545088636.db2.gz QEXOAQCAKNJMRT-ZDUSSCGKSA-N 1 0 254.374 0.698 10 0 CCAERO O=C1CCCN1C[C@H](O)C[NH2+][C@H](CCO)C1CCCCC1 ZINC000183703941 304628325 /nfs/dbraw/zinc/62/83/25/304628325.db2.gz DEMVDPLFXUPDSD-HUUCEWRRSA-N 1 0 298.427 0.891 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N1CCCC1 ZINC000113518304 300315283 /nfs/dbraw/zinc/31/52/83/300315283.db2.gz DLMNKNCHCJBLAY-QWHCGFSZSA-N 1 0 251.374 0.777 10 0 CCAERO C[C@H]1COCCN1CC[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000249600812 300345010 /nfs/dbraw/zinc/34/50/10/300345010.db2.gz QLSBQOOIFMLBJK-GXTWGEPZSA-N 1 0 269.389 0.437 10 0 CCAERO Cc1cc(NC(=O)CN2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)on1 ZINC000284871327 301348895 /nfs/dbraw/zinc/34/88/95/301348895.db2.gz PWRUROBNVSLEQU-VXGBXAGGSA-N 1 0 294.355 0.326 10 0 CCAERO CCCCCS(=O)(=O)CC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170868663 327669200 /nfs/dbraw/zinc/66/92/00/327669200.db2.gz ZAWNROYHLCFVGF-GFCCVEGCSA-N 1 0 290.429 0.754 10 0 CCAERO CCCN(CC[NH+](C)C)C(=O)[C@H]1NCCO[C@@H]1C ZINC000328353174 327171022 /nfs/dbraw/zinc/17/10/22/327171022.db2.gz NMYGEAVHEMPCLJ-NEPJUHHUSA-N 1 0 257.378 0.164 10 0 CCAERO O=C1[C@H](N2CC[NH2+]CC2)CCCN1C1CCOCC1 ZINC000095882033 327203409 /nfs/dbraw/zinc/20/34/09/327203409.db2.gz RYOYZIMUXVRBMA-CYBMUJFWSA-N 1 0 267.373 0.062 10 0 CCAERO Cc1nc(N[C@@H](C)C[C@H](C)[NH3+])sc1S(N)(=O)=O ZINC000320537679 329957073 /nfs/dbraw/zinc/95/70/73/329957073.db2.gz OKWUVULMEVTGAP-WDSKDSINSA-N 1 0 278.403 0.637 10 0 CCAERO CC(C)[NH+]1CCN([C@@H]2C[NH2+]C[C@@H](C(=O)[O-])C2)CC1 ZINC000536959281 330383861 /nfs/dbraw/zinc/38/38/61/330383861.db2.gz MORQVUGGIGPMMK-RYUDHWBXSA-N 1 0 255.362 0.075 10 0 CCAERO Cc1c(S(=O)(=O)N(C)[C@@H]2CCC[NH2+]CC2)cnn1C ZINC000311675127 333113155 /nfs/dbraw/zinc/11/31/55/333113155.db2.gz IAZBXPGVBFDYFJ-LLVKDONJSA-N 1 0 286.401 0.491 10 0 CCAERO O=C(COc1ccc(Cl)cc1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000565651596 334583875 /nfs/dbraw/zinc/58/38/75/334583875.db2.gz MKFIMQQIYPMESH-QWHCGFSZSA-N 1 0 296.754 0.918 10 0 CCAERO C[C@H]1CN(S(=O)(=O)CC[NH+]2CCCC2)CCS1 ZINC000192603393 335281422 /nfs/dbraw/zinc/28/14/22/335281422.db2.gz AUQINYDZIINSFS-NSHDSACASA-N 1 0 278.443 0.849 10 0 CCAERO C[C@@H]([NH3+])[C@H](C)Nc1cnn(C)c(=O)c1Br ZINC000381689186 336070951 /nfs/dbraw/zinc/07/09/51/336070951.db2.gz FEARTJGKBMHBFJ-RITPCOANSA-N 1 0 275.150 0.690 10 0 CCAERO COc1cc(OC)nc(N[C@@H]2CC[C@H](C[NH3+])C2)n1 ZINC000382461879 336091135 /nfs/dbraw/zinc/09/11/35/336091135.db2.gz WWVQULHNLNZWBQ-DTWKUNHWSA-N 1 0 252.318 0.455 10 0 CCAERO COc1cc(OC)nc(N[C@H](CC[NH3+])C(F)F)n1 ZINC000383353030 336107755 /nfs/dbraw/zinc/10/77/55/336107755.db2.gz DXMQAQLLCYVUFI-ZCFIWIBFSA-N 1 0 262.260 0.310 10 0 CCAERO CC[NH2+]Cc1cc(CN2CCS(=O)(=O)CC2)on1 ZINC000052480294 519991809 /nfs/dbraw/zinc/99/18/09/519991809.db2.gz HNPLHYMAKAWRPU-UHFFFAOYSA-N 1 0 273.358 0.015 10 0 CCAERO CCCCCC[NH2+]CCN1CCS(=O)(=O)CC1 ZINC000053383697 520094317 /nfs/dbraw/zinc/09/43/17/520094317.db2.gz YPEBZZYTWMXGRH-UHFFFAOYSA-N 1 0 262.419 0.887 10 0 CCAERO CCOC(=O)CN(CCOC)C(=O)C(C)(C)[NH2+]C ZINC000061317362 520762037 /nfs/dbraw/zinc/76/20/37/520762037.db2.gz CQCHCJVKAFYXGY-UHFFFAOYSA-N 1 0 260.334 0.023 10 0 CCAERO CCN1C(=O)C[C@@H]([NH2+][C@H](C)Cn2ccnc2)C1=O ZINC000049234896 521522173 /nfs/dbraw/zinc/52/21/73/521522173.db2.gz PRDKQURJCYJTEF-NXEZZACHSA-N 1 0 250.302 0.009 10 0 CCAERO C[NH2+][C@@H](CC[N@H+](CCOC)[C@@H](C)C1CC1)C(=O)[O-] ZINC000062463395 522343698 /nfs/dbraw/zinc/34/36/98/522343698.db2.gz VUYSFZOEIUMKKN-JQWIXIFHSA-N 1 0 258.362 0.796 10 0 CCAERO CNc1ccc(C(=O)NCC(C)(C)C[NH+](C)C)nn1 ZINC000050720012 522587153 /nfs/dbraw/zinc/58/71/53/522587153.db2.gz USPOATHVFYSPOC-UHFFFAOYSA-N 1 0 265.361 0.836 10 0 CCAERO CC(C)(C)C1CCN([C@H]2CS(=O)(=O)C[C@H]2[NH3+])CC1 ZINC000054493729 518610229 /nfs/dbraw/zinc/61/02/29/518610229.db2.gz KDJCUWPJEMVRFE-NEPJUHHUSA-N 1 0 274.430 0.869 10 0 CCAERO CC(C)(C)C(=O)N1CCC(C[NH+]2C[C@@H](O)[C@H](O)C2)CC1 ZINC000408441673 534431999 /nfs/dbraw/zinc/43/19/99/534431999.db2.gz IUGAXDAPWGKOJC-CHWSQXEVSA-N 1 0 284.400 0.309 10 0 CCAERO CC(C)C[NH+]1CCN(C[C@@]2(CO)CCOC2)CC1 ZINC000055082278 519726501 /nfs/dbraw/zinc/72/65/01/519726501.db2.gz VHXDTDXQCPXVNO-CQSZACIVSA-N 1 0 256.390 0.659 10 0 CCAERO CC(C)[C@@H](CNC(=O)Cc1csc(N)n1)[NH+](C)C ZINC000055272975 519794374 /nfs/dbraw/zinc/79/43/74/519794374.db2.gz GCZCEWIRVVIJSJ-SNVBAGLBSA-N 1 0 270.402 0.970 10 0 CCAERO CCC1CCC(NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)CC1 ZINC000049121798 519856100 /nfs/dbraw/zinc/85/61/00/519856100.db2.gz WYVBDUPRAPVSDA-HTAVTVPLSA-N 1 0 290.429 0.833 10 0 CCAERO CCCNC(=O)[C@@H](C)NC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050943945 519888200 /nfs/dbraw/zinc/88/82/00/519888200.db2.gz YISYYYDGXUYTMJ-VXGBXAGGSA-N 1 0 269.389 0.940 10 0 CCAERO CCCNC(=O)[C@@H](C)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000049203844 519888477 /nfs/dbraw/zinc/88/84/77/519888477.db2.gz QIMYXRMNLLECEW-SNVBAGLBSA-N 1 0 263.341 0.790 10 0 CCAERO CC[NH2+]CC[C@H](C)N1CCN(c2ncccn2)CC1 ZINC000052418514 519927288 /nfs/dbraw/zinc/92/72/88/519927288.db2.gz JRZMCDVPQWVQQB-ZDUSSCGKSA-N 1 0 263.389 0.987 10 0 CCAERO CC[NH2+][C@H](C)CC(=O)N(CCO)CC(F)(F)F ZINC000061272843 520163420 /nfs/dbraw/zinc/16/34/20/520163420.db2.gz AJCYNDKAZBOLDY-MRVPVSSYSA-N 1 0 256.268 0.758 10 0 CCAERO CCN(C)C(=O)[C@H](C)NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000365067175 520208311 /nfs/dbraw/zinc/20/83/11/520208311.db2.gz CCSSOLDRYZCSMU-XQQFMLRXSA-N 1 0 296.415 0.589 10 0 CCAERO CC[N@H+](C)CCNS(=O)(=O)c1cc(N)ccc1C ZINC000054111585 520236968 /nfs/dbraw/zinc/23/69/68/520236968.db2.gz ZSOBZCZXYFNJLC-UHFFFAOYSA-N 1 0 271.386 0.807 10 0 CCAERO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(NN)nn1 ZINC000051117136 520718006 /nfs/dbraw/zinc/71/80/06/520718006.db2.gz XTYVHVJLWNATAO-SECBINFHSA-N 1 0 266.349 0.222 10 0 CCAERO CCCN(CC(F)(F)F)[C@@H]1CS(=O)(=O)C[C@@H]1[NH3+] ZINC000054493460 521585485 /nfs/dbraw/zinc/58/54/85/521585485.db2.gz CMHJWGFJACLJGJ-JGVFFNPUSA-N 1 0 274.308 0.385 10 0 CCAERO CCN1CCN(C(=O)[C@@H]2CCC[C@H](C)[C@@H]2[NH3+])CC1 ZINC000055124642 521667906 /nfs/dbraw/zinc/66/79/06/521667906.db2.gz LAGFGCPVGYSIIC-XQQFMLRXSA-N 1 0 253.390 0.914 10 0 CCAERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc(NN)ccn1 ZINC000061656110 521835750 /nfs/dbraw/zinc/83/57/50/521835750.db2.gz GFMOEFRLHHQZDO-NSHDSACASA-N 1 0 263.345 0.533 10 0 CCAERO CCc1nc([C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)CCO2)n[nH]1 ZINC000164074852 522137412 /nfs/dbraw/zinc/13/74/12/522137412.db2.gz SQHBRBWIKUIUMA-QWRGUYRKSA-N 1 0 295.387 0.607 10 0 CCAERO CN[C@@H](CCN1CCC([NH+](C)C)CC1)C(=O)OC ZINC000062449371 522343853 /nfs/dbraw/zinc/34/38/53/522343853.db2.gz PXAQGPUSCZTYTF-LBPRGKRZSA-N 1 0 257.378 0.164 10 0 CCAERO C[NH2+][C@H]1CCCC[C@H]1N1CCN(S(C)(=O)=O)CC1 ZINC000062083885 522489506 /nfs/dbraw/zinc/48/95/06/522489506.db2.gz VIPOXZWIYSRZCW-NWDGAFQWSA-N 1 0 275.418 0.094 10 0 CCAERO CC[C@H](NS(=O)(=O)N1CC[NH2+]CC1)c1cccs1 ZINC000049532494 522679846 /nfs/dbraw/zinc/67/98/46/522679846.db2.gz UVYJKCCXJMLLTO-JTQLQIEISA-N 1 0 289.426 0.939 10 0 CCAERO COCc1ccccc1NS(=O)(=O)CCC[NH3+] ZINC000049509827 523125435 /nfs/dbraw/zinc/12/54/35/523125435.db2.gz XYBVYJZPXKFHJN-UHFFFAOYSA-N 1 0 258.343 0.924 10 0 CCAERO CCn1cc(C[C@H](C[NH3+])[C@H]2CCS(=O)(=O)C2)cn1 ZINC000052946439 523396347 /nfs/dbraw/zinc/39/63/47/523396347.db2.gz DPNUNXQKNMILEU-NWDGAFQWSA-N 1 0 271.386 0.455 10 0 CCAERO CC[C@]1(C(=O)N2CCCC[C@H]2C(N)=O)CC[NH2+]C1 ZINC000062894531 523534951 /nfs/dbraw/zinc/53/49/51/523534951.db2.gz XQUSQNFKVXPXGQ-GWCFXTLKSA-N 1 0 253.346 0.243 10 0 CCAERO CO[C@@H]1C[NH2+][C@H](C(=O)N2CCC[C@@H]2CCCO)C1 ZINC000052763648 523742549 /nfs/dbraw/zinc/74/25/49/523742549.db2.gz ZEJJXSZILXZYSE-WOPDTQHZSA-N 1 0 256.346 0.127 10 0 CCAERO C[N@@H+]1CCC[C@@H](NC(=O)Cc2csc(N)n2)C1 ZINC000055272923 523817097 /nfs/dbraw/zinc/81/70/97/523817097.db2.gz QMJXRPGWUOKJRJ-MRVPVSSYSA-N 1 0 254.359 0.478 10 0 CCAERO CN1CC[NH2+]C[C@H]1c1noc(COCC2CC2)n1 ZINC000263173516 523932677 /nfs/dbraw/zinc/93/26/77/523932677.db2.gz GABZXYHMKUKEAJ-JTQLQIEISA-N 1 0 252.318 0.572 10 0 CCAERO COCC[NH2+]C[C@H]1CCCN1Cc1cnn(C)c1 ZINC000053650603 523943209 /nfs/dbraw/zinc/94/32/09/523943209.db2.gz VSTAUJRVJDGELD-CYBMUJFWSA-N 1 0 252.362 0.621 10 0 CCAERO C[NH+](C)C1CCN(CC[C@@H]([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000062449353 524040229 /nfs/dbraw/zinc/04/02/29/524040229.db2.gz NLYWIONRTOFAQH-CYBMUJFWSA-N 1 0 269.389 0.608 10 0 CCAERO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](CN(C)C)C(C)C ZINC000049205312 524078220 /nfs/dbraw/zinc/07/82/20/524078220.db2.gz FFTXYYAFEHRIGK-VHSXEESVSA-N 1 0 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527231948 /nfs/dbraw/zinc/23/19/48/527231948.db2.gz ODTCZZBZLBBAGN-UHFFFAOYSA-N 1 0 254.355 0.858 10 0 CCAERO Cn1ccnc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1=O ZINC000183840637 527415011 /nfs/dbraw/zinc/41/50/11/527415011.db2.gz VWGYTOQBQFBVSZ-JTQLQIEISA-N 1 0 277.328 0.092 10 0 CCAERO Nc1snnc1CN1CC[NH+](CC2CC2)CC1 ZINC000050818116 527581370 /nfs/dbraw/zinc/58/13/70/527581370.db2.gz MSRYUBVCNRWYIU-UHFFFAOYSA-N 1 0 253.375 0.648 10 0 CCAERO CCCCS(=O)(=O)NC[C@]1(CC)C[NH2+]CCO1 ZINC000675059301 545320858 /nfs/dbraw/zinc/32/08/58/545320858.db2.gz NFFMRNQWGUJGGP-NSHDSACASA-N 1 0 264.391 0.475 10 0 CCAERO N[C@]1(c2ncc(Br)cn2)CCC[NH2+]C1 ZINC000675073285 545321050 /nfs/dbraw/zinc/32/10/50/545321050.db2.gz IMRROXWWQILQQC-SECBINFHSA-N 1 0 257.135 0.777 10 0 CCAERO CCn1ncc(Br)c1C1=C[C@H]([NH3+])CNC1 ZINC000675077455 545321199 /nfs/dbraw/zinc/32/11/99/545321199.db2.gz FEYUVXSMGQNYNJ-QMMMGPOBSA-N 1 0 271.162 0.979 10 0 CCAERO Cn1cc(CC2=C[C@@H](O)C[NH2+]C2)c(Br)n1 ZINC000675077528 545321238 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COC(=O)C[C@@H]1CCCC[N@@H+]1C[C@@H]1CNC(=O)O1 ZINC000050052744 624777681 /nfs/dbraw/zinc/77/76/81/624777681.db2.gz CGCHYGHXMIXXHB-UWVGGRQHSA-N 1 0 256.302 0.512 10 0 CCAERO COC1CC([NH2+]Cc2cccc(S(N)(=O)=O)c2)C1 ZINC000234704066 625015150 /nfs/dbraw/zinc/01/51/50/625015150.db2.gz HNGSTABLQYQYKY-UHFFFAOYSA-N 1 0 270.354 0.601 10 0 CCAERO O=C(N[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CO[C@@H]2C=CC=C[C@@H]2O1 ZINC000222558897 631571639 /nfs/dbraw/zinc/57/16/39/631571639.db2.gz IJVCBQJDBMJUFY-KBXIAJHMSA-N 1 0 290.363 0.475 10 0 CCAERO COC(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000179071557 632478175 /nfs/dbraw/zinc/47/81/75/632478175.db2.gz RXZGNQMAJSSRLT-QWRGUYRKSA-N 1 0 271.361 0.577 10 0 CCAERO CCn1ccnc(NCCN2CCC([NH3+])CC2)c1=O ZINC000321364560 632844986 /nfs/dbraw/zinc/84/49/86/632844986.db2.gz BTPIGAQELQEDIO-UHFFFAOYSA-N 1 0 265.361 0.098 10 0 CCAERO C[C@@H](Cc1ccccc1)C(=O)NCCN1CC[NH2+]CC1 ZINC000237348065 633033849 /nfs/dbraw/zinc/03/38/49/633033849.db2.gz VPUNUUZCUOCUNC-AWEZNQCLSA-N 1 0 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CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000040632454 348239125 /nfs/dbraw/zinc/23/91/25/348239125.db2.gz WJGMNQINODTBKF-GZMMTYOYSA-N 1 0 276.296 0.172 10 0 CCAERO C[NH+](C)CCNC(=O)CCc1nnc(-c2ccccn2)o1 ZINC000041183341 348250173 /nfs/dbraw/zinc/25/01/73/348250173.db2.gz JOYKPDGDEGLRST-UHFFFAOYSA-N 1 0 289.339 0.742 10 0 CCAERO CC[NH+](CC)CCOC(=S)N[C@H]1C=CS(=O)(=O)C1 ZINC000040166448 348230986 /nfs/dbraw/zinc/23/09/86/348230986.db2.gz UGHNXXNBOXMMKS-JTQLQIEISA-N 1 0 292.426 0.530 10 0 CCAERO CC[NH+](CC)CCOC(=S)N[C@@H]1CCS(=O)(=O)C1 ZINC000040166452 348231003 /nfs/dbraw/zinc/23/10/03/348231003.db2.gz YUSXJZOHTHSBOQ-SNVBAGLBSA-N 1 0 294.442 0.406 10 0 CCAERO CC[NH+](CC)CCOC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000040166439 348231126 /nfs/dbraw/zinc/23/11/26/348231126.db2.gz HANRRICALHQLFI-LLVKDONJSA-N 1 0 292.401 0.489 10 0 CCAERO COC[C@H](O)C[N@@H+]1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000346082683 137266328 /nfs/dbraw/zinc/26/63/28/137266328.db2.gz XKCUMESCEJWQKO-AAVRWANBSA-N 1 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/nfs/dbraw/zinc/14/67/65/354146765.db2.gz BUGBQBMSBARULO-QWRGUYRKSA-N 1 0 264.391 0.019 10 0 CCAERO CC(C)N1CC[C@H]([N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)C1=O ZINC000328671457 202002554 /nfs/dbraw/zinc/00/25/54/202002554.db2.gz NJTNQCLAVSXWCG-NEPJUHHUSA-N 1 0 277.372 0.993 10 0 CCAERO Cc1cc(NC[C@H](O)C[NH3+])ncc1Br ZINC000307249993 354179323 /nfs/dbraw/zinc/17/93/23/354179323.db2.gz PDABRRXRBYOAKT-SSDOTTSWSA-N 1 0 260.135 0.884 10 0 CCAERO CC(C)([NH3+])c1cn(C[C@@H](O)CC(F)(F)F)nn1 ZINC000307952648 354181485 /nfs/dbraw/zinc/18/14/85/354181485.db2.gz PEHAHNSYLKLLTR-LURJTMIESA-N 1 0 252.240 0.785 10 0 CCAERO CC(C)[N@H+](C)CC(=O)N1CCN(C)[C@H](c2ncc[nH]2)C1 ZINC000328627992 354241242 /nfs/dbraw/zinc/24/12/42/354241242.db2.gz NGUPOCMPJZCCCK-LBPRGKRZSA-N 1 0 279.388 0.565 10 0 CCAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(C)C2)C12CCOCC2 ZINC000329953958 354276762 /nfs/dbraw/zinc/27/67/62/354276762.db2.gz NNJGEWCXRAYSLP-FRRDWIJNSA-N 1 0 282.384 0.781 10 0 CCAERO O=C(NC[C@H]1COCCO1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000332806087 354735401 /nfs/dbraw/zinc/73/54/01/354735401.db2.gz PMBZEXMYCLSHOM-OLZOCXBDSA-N 1 0 283.372 0.282 10 0 CCAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000333860721 354806531 /nfs/dbraw/zinc/80/65/31/354806531.db2.gz RZIRCSHRGKKWHF-RFGFWPKPSA-N 1 0 296.415 0.099 10 0 CCAERO CCO[C@H]1C[C@@H](NC(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)C1 ZINC000333870751 354808291 /nfs/dbraw/zinc/80/82/91/354808291.db2.gz PFJPKXBEZKATCH-CRWXNKLISA-N 1 0 297.399 0.668 10 0 CCAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@H](O)[C@H](CO)C1 ZINC000333985341 354827406 /nfs/dbraw/zinc/82/74/06/354827406.db2.gz FYQGPAQFAPEINB-MJBXVCDLSA-N 1 0 299.415 0.101 10 0 CCAERO [NH3+][C@@H]1Cc2ccccc2N(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000335063397 354954679 /nfs/dbraw/zinc/95/46/79/354954679.db2.gz URJZOILWDUFMIM-QWHCGFSZSA-N 1 0 259.353 0.903 10 0 CCAERO O=C(NC1C[NH2+]C1)N1CCCN2c3ccccc3C[C@H]2C1 ZINC000335397953 354995740 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C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CC[C@H](CCO)C2)C1 ZINC000341589757 355699182 /nfs/dbraw/zinc/69/91/82/355699182.db2.gz UFMRSYMFLGRFTC-JHJVBQTASA-N 1 0 269.389 0.883 10 0 CCAERO C[C@H]1CN(Cc2nnnn2C2CC2)C[C@H]1[NH+](C)C ZINC000407948077 137813271 /nfs/dbraw/zinc/81/32/71/137813271.db2.gz FRXPURYHDAHJJF-GXSJLCMTSA-N 1 0 250.350 0.390 10 0 CCAERO CCOC(=O)CCCNC(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000362600996 138066012 /nfs/dbraw/zinc/06/60/12/138066012.db2.gz QWFVBZBGQVKKRT-NEPJUHHUSA-N 1 0 285.388 0.921 10 0 CCAERO O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCO[C@@H](CO)C1 ZINC000328793163 202059566 /nfs/dbraw/zinc/05/95/66/202059566.db2.gz ARWFOBFHCGYWNJ-ZIAGYGMSSA-N 1 0 282.384 0.613 10 0 CCAERO COCCc1nsc(N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000328895870 202101811 /nfs/dbraw/zinc/10/18/11/202101811.db2.gz BPSDTYIHAVMUCA-WDEREUQCSA-N 1 0 298.412 0.636 10 0 CCAERO O=C(c1ccc2c[nH+]cn2c1)N1CC(O)(C2CC2)C1 ZINC000329110326 202191644 /nfs/dbraw/zinc/19/16/44/202191644.db2.gz 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CC[C@H]1C[C@H](C(=O)N2CCC([NH+](C)C)CC2)CC(=O)N1 ZINC000408207177 357971196 /nfs/dbraw/zinc/97/11/96/357971196.db2.gz VQVVDEXQWUWCJV-RYUDHWBXSA-N 1 0 281.400 0.844 10 0 CCAERO CC(=O)N1CCC[C@@H](CNC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000408306113 358024561 /nfs/dbraw/zinc/02/45/61/358024561.db2.gz PALZGHJDBDZKNM-KBPBESRZSA-N 1 0 296.415 0.590 10 0 CCAERO C[NH+](C)[C@H]1CCN(C(=O)c2cnn3ncccc23)C1 ZINC000408396887 358071723 /nfs/dbraw/zinc/07/17/23/358071723.db2.gz RKTGFSFEJAWBJV-JTQLQIEISA-N 1 0 259.313 0.505 10 0 CCAERO C[C@H]1C[N@H+](C)CCN1c1cc(N2CCC[C@@H]2CO)ncn1 ZINC000408388475 358067768 /nfs/dbraw/zinc/06/77/68/358067768.db2.gz CQMUULNQDYHWBR-QWHCGFSZSA-N 1 0 291.399 0.578 10 0 CCAERO C[C@H]1C[N@H+](C)CCN1c1nccc(N[C@@H]2CCCOC2)n1 ZINC000408433857 358091516 /nfs/dbraw/zinc/09/15/16/358091516.db2.gz NVEHFXBSDAVZMV-QWHCGFSZSA-N 1 0 291.399 0.630 10 0 CCAERO C[C@@H]1C[N@H+](C)CCN1c1nccc(N[C@@H]2CCCOC2)n1 ZINC000408433855 358091807 /nfs/dbraw/zinc/09/18/07/358091807.db2.gz NVEHFXBSDAVZMV-CHWSQXEVSA-N 1 0 291.399 0.630 10 0 CCAERO COC(=O)C[C@@H]1CSCCN1C[C@@]1(C)CC[NH2+]C1 ZINC000262093822 291133112 /nfs/dbraw/zinc/13/31/12/291133112.db2.gz UZBSTCGMLTZMRE-YPMHNXCESA-N 1 0 272.414 0.967 10 0 CCAERO C[NH2+]CC(=O)N1C[C@H](COC)[C@H](C(F)(F)F)C1 ZINC000409435231 358112623 /nfs/dbraw/zinc/11/26/23/358112623.db2.gz TVQIUXYCGQZGML-HTQZYQBOSA-N 1 0 254.252 0.489 10 0 CCAERO O=C1c2sccc2S(=O)(=O)N1[C@H]1CCC[NH2+]C1 ZINC000409422211 358111673 /nfs/dbraw/zinc/11/16/73/358111673.db2.gz CSLQUWGEQKTCSW-ZETCQYMHSA-N 1 0 272.351 0.645 10 0 CCAERO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247968246 283364307 /nfs/dbraw/zinc/36/43/07/283364307.db2.gz IQPIZDRZYAMRHY-COPLHBTASA-N 1 0 283.372 0.458 10 0 CCAERO CS(=O)(=O)c1ccc(N2CCC3(C2)CC[NH2+]CC3)nn1 ZINC000584624310 359183023 /nfs/dbraw/zinc/18/30/23/359183023.db2.gz VIJBSRVNXJHKGV-UHFFFAOYSA-N 1 0 296.396 0.460 10 0 CCAERO OCCc1c[nH]c2ncnc(N[C@@H]3CCC[NH2+]C3)c12 ZINC000584640288 359185216 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ZINC000247519318 285053463 /nfs/dbraw/zinc/05/34/63/285053463.db2.gz NGXBLENPAIOTEX-VXGBXAGGSA-N 1 0 272.414 0.797 10 0 CCAERO CCCCOC[C@H](O)C[N@H+](C)C[C@H](C)C(=O)NC ZINC000248661867 285073691 /nfs/dbraw/zinc/07/36/91/285073691.db2.gz XVZVKNWDXXNGDC-NWDGAFQWSA-N 1 0 260.378 0.478 10 0 CCAERO CC[C@@H]1CN(C(=O)[C@@H]2CCOC[C@@H]2C)CC[N@@H+]1C[C@H](C)O ZINC000248738318 285078284 /nfs/dbraw/zinc/07/82/84/285078284.db2.gz COCXWQQVJMFTTG-BYNSBNAKSA-N 1 0 298.427 0.963 10 0 CCAERO C[C@@H]1CN(C(=O)CN2CCCCC2=O)CC[C@H]1[NH3+] ZINC000335342070 208230450 /nfs/dbraw/zinc/23/04/50/208230450.db2.gz YXQIKODGLDVZIQ-GHMZBOCLSA-N 1 0 253.346 0.195 10 0 CCAERO CC[C@@H]1C[N@H+](C[C@@](C)(O)CC)CCN1C[C@H](C)O ZINC000249123852 285102761 /nfs/dbraw/zinc/10/27/61/285102761.db2.gz QJIMSCSIYALHNK-MJBXVCDLSA-N 1 0 258.406 0.924 10 0 CCAERO C[C@@H]1CC[C@@H](C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)O1 ZINC000249364690 285111586 /nfs/dbraw/zinc/11/15/86/285111586.db2.gz MFYSNDZSELUTSK-UPJWGTAASA-N 1 0 284.400 0.858 10 0 CCAERO O=C1NCC[C@@H]1[N@@H+]1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000249594800 296376779 /nfs/dbraw/zinc/37/67/79/296376779.db2.gz WNVRKNMPMJSWQX-WOPDTQHZSA-N 1 0 266.366 0.644 10 0 CCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCOCC(F)(F)F ZINC000392923882 285206467 /nfs/dbraw/zinc/20/64/67/285206467.db2.gz LFXRCWHKTPZMBN-JGVFFNPUSA-N 1 0 254.252 0.822 10 0 CCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000392947918 285206815 /nfs/dbraw/zinc/20/68/15/285206815.db2.gz YOCIBPFDJNAXAP-LKEWCRSYSA-N 1 0 254.252 0.556 10 0 CCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@H](O)COC(C)(C)C ZINC000393017024 285207337 /nfs/dbraw/zinc/20/73/37/285207337.db2.gz PRROCUMLUHFHOV-GARJFASQSA-N 1 0 258.362 0.419 10 0 CCAERO CC(C)COC[C@H](O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000393020292 285207574 /nfs/dbraw/zinc/20/75/74/285207574.db2.gz RDIAPAHKHMZWPF-QJPTWQEYSA-N 1 0 258.362 0.277 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)[C@@H](C)COC ZINC000175397525 285240404 /nfs/dbraw/zinc/24/04/04/285240404.db2.gz LYYBVSRWOBBFKY-NWDGAFQWSA-N 1 0 278.418 0.767 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)C[C@H]1CCCO1 ZINC000245427642 285274820 /nfs/dbraw/zinc/27/48/20/285274820.db2.gz WEPWIWCSCHEPDU-QWHCGFSZSA-N 1 0 290.429 0.911 10 0 CCAERO Cc1cc(N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)n2ncnc2n1 ZINC000284450789 388778031 /nfs/dbraw/zinc/77/80/31/388778031.db2.gz CTMWTTZKOPUONF-NEPJUHHUSA-N 1 0 288.355 0.342 10 0 CCAERO CCO[C@@H]1C[C@H]([NH2+]C[C@]2(O)CCOC2)C12CCOCC2 ZINC000186433246 388836397 /nfs/dbraw/zinc/83/63/97/388836397.db2.gz GKDBMLHKINTCGB-BFHYXJOUSA-N 1 0 285.384 0.702 10 0 CCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2COc3ccccc3O2)C1 ZINC000040810340 388856342 /nfs/dbraw/zinc/85/63/42/388856342.db2.gz ZSVMGBSOOWFLQH-IJLUTSLNSA-N 1 0 292.335 0.320 10 0 CCAERO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000187884252 388901419 /nfs/dbraw/zinc/90/14/19/388901419.db2.gz DCLMFHVOIFOXHN-HUUCEWRRSA-N 1 0 292.379 0.865 10 0 CCAERO CC1(C)C[NH+](C[C@@H](O)CN2CCCC2=O)CC(C)(C)O1 ZINC000189657172 388967188 /nfs/dbraw/zinc/96/71/88/388967188.db2.gz DBHCDPAOZIHPRY-GFCCVEGCSA-N 1 0 284.400 0.859 10 0 CCAERO COc1c(C[NH2+]C[C@H]2CC[C@H](O)C2)c(C)nn1C ZINC000188813508 388942540 /nfs/dbraw/zinc/94/25/40/388942540.db2.gz IKCVBCBXPZCUQC-QWRGUYRKSA-N 1 0 253.346 0.988 10 0 CCAERO C[C@@H](NC(=O)[C@H]1C[C@H](F)C[NH2+]1)[C@@H](O)Cc1ccccc1 ZINC000188969347 388945709 /nfs/dbraw/zinc/94/57/09/388945709.db2.gz HQKJWOPZEJZFKB-CABNGKKXSA-N 1 0 280.343 0.795 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CC(NC(C)=O)C2)C1 ZINC000189947778 388978670 /nfs/dbraw/zinc/97/86/70/388978670.db2.gz ZWUGIYQLAXRNOB-NSHDSACASA-N 1 0 268.361 0.001 10 0 CCAERO COc1c(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c(C)nn1C ZINC000190044862 388981390 /nfs/dbraw/zinc/98/13/90/388981390.db2.gz TXZUDLRKJRSXCI-BXKDBHETSA-N 1 0 253.346 0.940 10 0 CCAERO CC(=O)N1CCC[C@H](C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)C1 ZINC000190740260 388998474 /nfs/dbraw/zinc/99/84/74/388998474.db2.gz IBARXMNDWJHJFO-UONOGXRCSA-N 1 0 293.411 0.988 10 0 CCAERO C[NH+](C)[C@H]1CCN(C(=O)c2cn(C(C)(C)C)nn2)C1 ZINC000191183732 389008311 /nfs/dbraw/zinc/00/83/11/389008311.db2.gz AXADUCCDQIVEPV-JTQLQIEISA-N 1 0 265.361 0.809 10 0 CCAERO Cc1cccc(CC[N@@H+]2CC[C@](C)(O)[C@@H](O)C2)n1 ZINC000096161884 389047467 /nfs/dbraw/zinc/04/74/67/389047467.db2.gz JUSSQTIYYMZDRU-KBPBESRZSA-N 1 0 250.342 0.750 10 0 CCAERO CC(C)N1CCC[C@H]([NH2+][C@@H](C(N)=O)C(C)(C)C)C1=O ZINC000192667260 389048594 /nfs/dbraw/zinc/04/85/94/389048594.db2.gz BBGXFIKBVMJYLA-QWRGUYRKSA-N 1 0 269.389 0.875 10 0 CCAERO CC[C@H]1CN(C(=O)C2CCC(O)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000194359714 389094154 /nfs/dbraw/zinc/09/41/54/389094154.db2.gz SEHVJSWYYPLRDK-JLVJUDLZSA-N 1 0 298.427 0.841 10 0 CCAERO CN(C)C(=O)N1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000305423315 389085843 /nfs/dbraw/zinc/08/58/43/389085843.db2.gz AKYMOFWIKGLGPV-NEPJUHHUSA-N 1 0 255.362 0.589 10 0 CCAERO CC(C)n1nnnc1CN1CCC[C@@H]([C@H](C)O)C1 ZINC000305635833 389086674 /nfs/dbraw/zinc/08/66/74/389086674.db2.gz OLUIPBXAQGAVEQ-WDEREUQCSA-N 1 0 253.350 0.847 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)NC(=O)OC)C1 ZINC000105324154 389086976 /nfs/dbraw/zinc/08/69/76/389086976.db2.gz LYEIQVJUYYOLDG-SNVBAGLBSA-N 1 0 271.361 0.722 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1(O)CCSCC1 ZINC000305748328 389087660 /nfs/dbraw/zinc/08/76/60/389087660.db2.gz QIAFMUGVHOAKIU-NWDGAFQWSA-N 1 0 284.425 0.940 10 0 CCAERO C[C@@H]1C[C@@]2(C[N@@H+]1Cc1ccccc1)NC(=O)NC2=O ZINC000307348686 389091249 /nfs/dbraw/zinc/09/12/49/389091249.db2.gz RHXQMEDNYKJZGM-YGRLFVJLSA-N 1 0 259.309 0.859 10 0 CCAERO CN(C)c1nccc(N2CCC(OCCC[NH3+])CC2)n1 ZINC000094073232 389038612 /nfs/dbraw/zinc/03/86/12/389038612.db2.gz BLFHNXRKNDDRML-UHFFFAOYSA-N 1 0 279.388 0.877 10 0 CCAERO Cn1c(CN2CC[NH+](C3CC3)CC2)nnc1C1CC1 ZINC000195115288 389115392 /nfs/dbraw/zinc/11/53/92/389115392.db2.gz FLIDHZQTKMLIEN-UHFFFAOYSA-N 1 0 261.373 0.973 10 0 CCAERO Cc1cnn(C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CCO2)c1 ZINC000112117664 389119092 /nfs/dbraw/zinc/11/90/92/389119092.db2.gz PQHIJZLFAHLPTC-KBPBESRZSA-N 1 0 292.383 0.513 10 0 CCAERO CC[C@H]1CN(CCCC(=O)OC)CC[N@@H+]1C[C@@H](C)O ZINC000116395798 389133883 /nfs/dbraw/zinc/13/38/83/389133883.db2.gz WXQDPKWIMRRCRT-OLZOCXBDSA-N 1 0 272.389 0.717 10 0 CCAERO Cc1cnn(CCNC(=O)NC[C@H](C)[N@H+](C)C2CC2)c1 ZINC000118072156 389136273 /nfs/dbraw/zinc/13/62/73/389136273.db2.gz SUXCDDQJCIWOCM-LBPRGKRZSA-N 1 0 279.388 0.973 10 0 CCAERO Cc1nn(-c2cc[nH+]cc2)cc1CN1CCO[C@H](CO)C1 ZINC000329731455 389193596 /nfs/dbraw/zinc/19/35/96/389193596.db2.gz GQOAAMYTLXXQAB-HNNXBMFYSA-N 1 0 288.351 0.769 10 0 CCAERO C[C@@H]1CN(C(=O)[C@@H]2CCCCO2)C[C@H]1N1CCOCC1 ZINC000125089869 389164405 /nfs/dbraw/zinc/16/44/05/389164405.db2.gz OBDUOXFEWGODRY-MCIONIFRSA-N 1 0 282.384 0.735 10 0 CCAERO CC(C)N1CC[C@H](N2CCO[C@@H](C[NH+](C)C)C2)C1=O ZINC000245477192 389210379 /nfs/dbraw/zinc/21/03/79/389210379.db2.gz UHHPJYAGJZJNPH-STQMWFEESA-N 1 0 269.389 0.258 10 0 CCAERO CN(C)C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000132341450 389223804 /nfs/dbraw/zinc/22/38/04/389223804.db2.gz QUALQCIKXIYSEL-VXGBXAGGSA-N 1 0 287.404 0.508 10 0 CCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCNC(=O)CC2)C1 ZINC000246318409 389227634 /nfs/dbraw/zinc/22/76/34/389227634.db2.gz FJCDGJKQAMOWQG-NWDGAFQWSA-N 1 0 282.388 0.247 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1nccnc1N ZINC000246839020 389232214 /nfs/dbraw/zinc/23/22/14/389232214.db2.gz YKCCRYXRMASCBL-UWVGGRQHSA-N 1 0 261.329 0.368 10 0 CCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2CN(C)CCO2)C1 ZINC000247012225 389235060 /nfs/dbraw/zinc/23/50/60/389235060.db2.gz HEDQNVGTTGYACA-RDBSUJKOSA-N 1 0 298.431 0.345 10 0 CCAERO CC[C@H](C)NC(=O)CN1CC[N@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000247064259 389236039 /nfs/dbraw/zinc/23/60/39/389236039.db2.gz GBKUOWDCPHDQQF-MELADBBJSA-N 1 0 285.432 0.678 10 0 CCAERO CC(C)CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247236511 389238021 /nfs/dbraw/zinc/23/80/21/389238021.db2.gz XIVSPNSYPZCJLK-ZIAGYGMSSA-N 1 0 283.416 0.554 10 0 CCAERO Cc1c([C@H](C)NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)cnn1C ZINC000367103683 389321334 /nfs/dbraw/zinc/32/13/34/389321334.db2.gz QMROGQJNZDWBCN-FZMZJTMJSA-N 1 0 291.399 0.296 10 0 CCAERO CCOCC[N@@H+]1CCN(Cc2nnc(CC)[nH]2)C[C@H]1C ZINC000158350745 389340477 /nfs/dbraw/zinc/34/04/77/389340477.db2.gz GOHZBOITCFANOY-GFCCVEGCSA-N 1 0 281.404 0.910 10 0 CCAERO O=C(N[C@@H]1CCO[C@@H]1c1ccccc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262528634 389288173 /nfs/dbraw/zinc/28/81/73/389288173.db2.gz PEHAKVGTWNDXGG-RFQIPJPRSA-N 1 0 276.336 0.356 10 0 CCAERO NC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)C1 ZINC000152907793 389294782 /nfs/dbraw/zinc/29/47/82/389294782.db2.gz SHYDHDZBMKEUBM-XQQFMLRXSA-N 1 0 279.384 0.442 10 0 CCAERO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CC[C@H](CCO)C1 ZINC000332911757 389391347 /nfs/dbraw/zinc/39/13/47/389391347.db2.gz ZHDYKVXRBKRHIU-CHWSQXEVSA-N 1 0 281.400 0.885 10 0 CCAERO COCCOCCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158857218 389352915 /nfs/dbraw/zinc/35/29/15/389352915.db2.gz WIEYHJHATURMRE-STQMWFEESA-N 1 0 272.389 0.884 10 0 CCAERO Cc1n[nH]c(C)c1CC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170882410 389465830 /nfs/dbraw/zinc/46/58/30/389465830.db2.gz VGSLQEDNDVSDOM-NSHDSACASA-N 1 0 250.346 0.732 10 0 CCAERO C[NH+](C)[C@@H]1CCN(C(=O)CNC(=O)C(C)(C)C)C1 ZINC000170859257 389466154 /nfs/dbraw/zinc/46/61/54/389466154.db2.gz NJPAERXDVXHEJW-SNVBAGLBSA-N 1 0 255.362 0.311 10 0 CCAERO CC[N@@H+]1C[C@H](C)N(C(=O)CC[C@H]2CCC(=O)N2)C[C@@H]1C ZINC000333607575 389435602 /nfs/dbraw/zinc/43/56/02/389435602.db2.gz WDFSAIXCYRVWSR-RWMBFGLXSA-N 1 0 281.400 0.986 10 0 CCAERO Cc1nc2ccc(N3CC[C@@]4(CC[NH2+]C4)C3)nn2n1 ZINC000333930773 389450595 /nfs/dbraw/zinc/45/05/95/389450595.db2.gz ZJUZGFWILZNYLY-CYBMUJFWSA-N 1 0 258.329 0.623 10 0 CCAERO CCc1ccc([C@@H](C)NC(=O)C(=O)N2CC[NH2+]CC2)cc1 ZINC000170319222 389455938 /nfs/dbraw/zinc/45/59/38/389455938.db2.gz 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OCCOCC[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249549570 131122586 /nfs/dbraw/zinc/12/25/86/131122586.db2.gz HKIAMZLDHYONFY-STQMWFEESA-N 1 0 271.382 0.765 10 0 CCAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NCC(C)(C)C)cn1 ZINC000261863909 131173873 /nfs/dbraw/zinc/17/38/73/131173873.db2.gz CJDHNYYJDJSRFN-NEPJUHHUSA-N 1 0 264.373 0.885 10 0 CCAERO C[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C1 ZINC000261892828 131176153 /nfs/dbraw/zinc/17/61/53/131176153.db2.gz GRVFDHUJUGMIDX-BNOWGMLFSA-N 1 0 276.384 0.982 10 0 CCAERO C[C@@H](O)c1ccc(CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1 ZINC000262164210 131195763 /nfs/dbraw/zinc/19/57/63/131195763.db2.gz YEVHURITERCFOB-HONMWMINSA-N 1 0 278.352 0.862 10 0 CCAERO CSCCC(=O)Nc1nc(C2CC[NH2+]CC2)nn1C ZINC000262310888 131210771 /nfs/dbraw/zinc/21/07/71/131210771.db2.gz AMSLKSNQCNOINB-UHFFFAOYSA-N 1 0 283.401 0.974 10 0 CCAERO CN(CCOCc1ccccc1)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262327561 131212368 /nfs/dbraw/zinc/21/23/68/131212368.db2.gz DMYBYLGIJPIRQJ-KBPBESRZSA-N 1 0 278.352 0.384 10 0 CCAERO Cc1cccc(C)c1CCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262371387 131215109 /nfs/dbraw/zinc/21/51/09/131215109.db2.gz JYNXCCFBOGIATI-OCCSQVGLSA-N 1 0 262.353 0.685 10 0 CCAERO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCN(c2cccs2)CC1 ZINC000262459345 131223168 /nfs/dbraw/zinc/22/31/68/131223168.db2.gz VPRKQOWOUFGPTL-MNOVXSKESA-N 1 0 281.381 0.120 10 0 CCAERO C[C@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)C(=O)NCc1ccco1 ZINC000262485687 131225376 /nfs/dbraw/zinc/22/53/76/131225376.db2.gz YQEXDQBPPFXWKV-SRVKXCTJSA-N 1 0 293.367 0.789 10 0 CCAERO CCC[C@](C)([NH3+])C(=O)N[C@@H](C)C(=O)NCc1ccco1 ZINC000262710866 131253984 /nfs/dbraw/zinc/25/39/84/131253984.db2.gz QLAGOLSQBNDDGF-HZMBPMFUSA-N 1 0 281.356 0.918 10 0 CCAERO COc1ccc(C[NH+]2C[C@@H](CO)[C@H](CO)C2)c(F)c1 ZINC000529640360 285486682 /nfs/dbraw/zinc/48/66/82/285486682.db2.gz LSRMJGGOICQULJ-RYUDHWBXSA-N 1 0 269.316 0.867 10 0 CCAERO COC(C[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1)OC ZINC000189122726 292079171 /nfs/dbraw/zinc/07/91/71/292079171.db2.gz CBNWWKSENBWTIJ-AWEZNQCLSA-N 1 0 285.432 0.707 10 0 CCAERO CN1C[C@H](C[NH2+][C@@H]2CCCc3c2cnn3C)CC1=O ZINC000658244915 413112660 /nfs/dbraw/zinc/11/26/60/413112660.db2.gz VCQYDISTIAFGMU-CMPLNLGQSA-N 1 0 262.357 0.865 10 0 CCAERO CC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000037015583 397379493 /nfs/dbraw/zinc/37/94/93/397379493.db2.gz XWLQBTZNUXWAQR-GZMMTYOYSA-N 1 0 285.369 0.249 10 0 CCAERO O=C1C[S@](=O)C2(CC[NH2+]CC2)N1C1CCCC1 ZINC000257173894 397439424 /nfs/dbraw/zinc/43/94/24/397439424.db2.gz ACYFJWHDSPNIPO-KRWDZBQOSA-N 1 0 256.371 0.600 10 0 CCAERO Cc1ccc(OCC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1C ZINC000262113056 143938538 /nfs/dbraw/zinc/93/85/38/143938538.db2.gz FMQBOMDIEVCWMU-GXTWGEPZSA-N 1 0 278.352 0.379 10 0 CCAERO O=C(CN1CC[NH2+]CC1)Nc1nc2ccccc2[nH]1 ZINC000104120712 397407933 /nfs/dbraw/zinc/40/79/33/397407933.db2.gz OIADOHRNBLZPDF-UHFFFAOYSA-N 1 0 259.313 0.407 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCCn1cncn1 ZINC000381100571 397484463 /nfs/dbraw/zinc/48/44/63/397484463.db2.gz AKAFJKWNHBUAGE-QWRGUYRKSA-N 1 0 251.334 0.173 10 0 CCAERO CCc1nc(C)cc(N2CCO[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000385517407 397498727 /nfs/dbraw/zinc/49/87/27/397498727.db2.gz YHOYDANXKBYFNW-WDEREUQCSA-N 1 0 250.346 0.900 10 0 CCAERO Cc1nncn1CCNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000390947036 397512605 /nfs/dbraw/zinc/51/26/05/397512605.db2.gz OXTZTUGWVVDHPZ-WDEREUQCSA-N 1 0 251.334 0.078 10 0 CCAERO CN1CCOC[C@@]12C[NH2+][C@]1(CCCSC1)OC2 ZINC000757147640 581680737 /nfs/dbraw/zinc/68/07/37/581680737.db2.gz SKZKPDKNWLSCBQ-VXGBXAGGSA-N 1 0 258.387 0.530 10 0 CCAERO COCCCS(=O)(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261564193 292368859 /nfs/dbraw/zinc/36/88/59/292368859.db2.gz XORTYNGWSLMSIT-JTQLQIEISA-N 1 0 264.391 0.412 10 0 CCAERO CS[C@@H]1CN(C(=O)[C@@H]2CC(=O)N[C@@H](C)C2)C[C@H]1[NH+](C)C ZINC000408204570 286701380 /nfs/dbraw/zinc/70/13/80/286701380.db2.gz VFXDQVQJUKSRBU-NNYUYHANSA-N 1 0 299.440 0.405 10 0 CCAERO C[C@@H](C[NH+]1CCCCCC1)NC(=O)CCNC(N)=O ZINC000186326158 286833963 /nfs/dbraw/zinc/83/39/63/286833963.db2.gz WLPYVYKKZNJMAX-NSHDSACASA-N 1 0 270.377 0.426 10 0 CCAERO O=C([C@@H]1CCC[C@@H]2C[C@@H]21)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000659326085 413415630 /nfs/dbraw/zinc/41/56/30/413415630.db2.gz WVBRLFKSONPVNT-NAWOPXAZSA-N 1 0 250.342 0.622 10 0 CCAERO CCn1cc(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)nn1 ZINC000659345548 413439171 /nfs/dbraw/zinc/43/91/71/413439171.db2.gz OIGGVMWJBGTVTL-RKDXNWHRSA-N 1 0 291.277 0.312 10 0 CCAERO CCS(=O)(=O)C1(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000659379672 413459881 /nfs/dbraw/zinc/45/98/81/413459881.db2.gz KZOSZEMHSVQEEL-QWRGUYRKSA-N 1 0 288.413 0.587 10 0 CCAERO CC[C@@H]1CN(CC(=O)N[C@@H](C)C(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000105825820 287188142 /nfs/dbraw/zinc/18/81/42/287188142.db2.gz RQHQSLCGOILFDR-QLFBSQMISA-N 1 0 299.459 0.924 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC(=O)NC ZINC000187512473 287219010 /nfs/dbraw/zinc/21/90/10/287219010.db2.gz ARMHTVLXWCGGLF-GHMZBOCLSA-N 1 0 253.346 0.208 10 0 CCAERO [NH3+]CCCS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000011897011 170457107 /nfs/dbraw/zinc/45/71/07/170457107.db2.gz FVIFTZWLTJFDIH-UHFFFAOYSA-N 1 0 257.311 0.580 10 0 CCAERO CCCc1nsc(N2CCN(C)C[C@@H]2C[NH3+])n1 ZINC000122821479 411707745 /nfs/dbraw/zinc/70/77/45/411707745.db2.gz IECGNBSGJKMVET-VIFPVBQESA-N 1 0 255.391 0.570 10 0 CCAERO CCCC[N@@H+](CC(N)=O)C[C@H](O)COC(C)(C)C ZINC000048048455 411653818 /nfs/dbraw/zinc/65/38/18/411653818.db2.gz WDUMPLODSLMGMB-NSHDSACASA-N 1 0 260.378 0.750 10 0 CCAERO [NH3+]Cc1cn(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)nn1 ZINC000050224325 411678174 /nfs/dbraw/zinc/67/81/74/411678174.db2.gz VYCWUCRKJPUYRN-YPMHNXCESA-N 1 0 277.372 0.918 10 0 CCAERO NC(=O)C[C@H](N)C(=O)N[C@H]1CCCc2sccc21 ZINC000061365711 411684419 /nfs/dbraw/zinc/68/44/19/411684419.db2.gz CVCLGCCQVSRVEP-IUCAKERBSA-N 1 0 267.354 0.444 10 0 CCAERO C[C@@H](NC(=O)[C@@H]1CC[NH2+]C1)c1ccc(S(N)(=O)=O)cc1 ZINC000062113404 411688247 /nfs/dbraw/zinc/68/82/47/411688247.db2.gz LUUDLAWAUCQCHE-MWLCHTKSSA-N 1 0 297.380 0.121 10 0 CCAERO CC(C)([NH3+])CCC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000070088482 411690350 /nfs/dbraw/zinc/69/03/50/411690350.db2.gz OOHJSOCAULWHEY-LBPRGKRZSA-N 1 0 269.389 0.437 10 0 CCAERO CNC(=O)Cc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000111265908 411701537 /nfs/dbraw/zinc/70/15/37/411701537.db2.gz YARAHQCQQOQEGB-ZWNOBZJWSA-N 1 0 275.352 0.769 10 0 CCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000311847192 411752129 /nfs/dbraw/zinc/75/21/29/411752129.db2.gz RYJOKYNCEZNNOE-RTXFEEFZSA-N 1 0 262.357 0.939 10 0 CCAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CCC(CCO)CC1 ZINC000401101930 411779999 /nfs/dbraw/zinc/77/99/99/411779999.db2.gz CZQDNVBINWJCCW-OLZOCXBDSA-N 1 0 254.374 0.982 10 0 CCAERO CC(C)(C(=O)N[C@@H]1CCC[C@@H](O)C1)N1CC[NH2+]CC1 ZINC000131232459 411723321 /nfs/dbraw/zinc/72/33/21/411723321.db2.gz QXOXRFKUXPSLPO-VXGBXAGGSA-N 1 0 269.389 0.090 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCN1CCCC1=O ZINC000405452280 411801405 /nfs/dbraw/zinc/80/14/05/411801405.db2.gz QFXFCFOMPWEDHP-WDEREUQCSA-N 1 0 253.346 0.113 10 0 CCAERO CN1C(=O)c2ccc(NC(=O)[C@@H]3CCC[NH2+]3)cc2C1=O ZINC000019408714 170788091 /nfs/dbraw/zinc/78/80/91/170788091.db2.gz VAOOFPZVFFRMNA-NSHDSACASA-N 1 0 273.292 0.603 10 0 CCAERO [NH3+]Cc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000019517754 170823431 /nfs/dbraw/zinc/82/34/31/170823431.db2.gz LGCIYMRQKGCPPG-UHFFFAOYSA-N 1 0 268.260 0.986 10 0 CCAERO CC[C@H]([NH2+]CCNS(C)(=O)=O)c1ccc(O)cc1 ZINC000020203270 171067347 /nfs/dbraw/zinc/06/73/47/171067347.db2.gz BWIBMXBFVBCDNV-LBPRGKRZSA-N 1 0 272.370 0.982 10 0 CCAERO [NH3+]C[C@@H](c1ccc(F)cc1)N1CCN(CCO)CC1 ZINC000020225647 171088462 /nfs/dbraw/zinc/08/84/62/171088462.db2.gz KPGUMFYXUJZROR-AWEZNQCLSA-N 1 0 267.348 0.435 10 0 CCAERO COc1ccccc1N(CCC[NH3+])S(C)(=O)=O ZINC000020233609 171095440 /nfs/dbraw/zinc/09/54/40/171095440.db2.gz STOFVFXHGVLUGX-UHFFFAOYSA-N 1 0 258.343 0.810 10 0 CCAERO CNC(=O)NC(=O)[C@H](C)Oc1ccccc1[C@H](C)[NH3+] ZINC000020419469 171184373 /nfs/dbraw/zinc/18/43/73/171184373.db2.gz KQNULTUCGJYWOC-IUCAKERBSA-N 1 0 265.313 0.929 10 0 CCAERO O=C(NCCc1ccc(F)cc1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000020433945 171199302 /nfs/dbraw/zinc/19/93/02/171199302.db2.gz HTSFXVSWVVLVBT-NEPJUHHUSA-N 1 0 252.289 0.207 10 0 CCAERO CNC(=O)CCC(=O)N1CCC[C@@H](C[NH+]2CCCC2)C1 ZINC000020911176 171278822 /nfs/dbraw/zinc/27/88/22/171278822.db2.gz ULKANIHNJFBDDP-ZDUSSCGKSA-N 1 0 281.400 0.847 10 0 CCAERO C[C@@H]1CCC[C@H](C)N1S(=O)(=O)N1CC[NH2+]CC1 ZINC000021952542 171339977 /nfs/dbraw/zinc/33/99/77/171339977.db2.gz RMSCOISHIVZIJF-PHIMTYICSA-N 1 0 261.391 0.399 10 0 CCAERO C[C@H]1CCC[C@H](C)N1S(=O)(=O)N1CC[NH2+]CC1 ZINC000021952544 171339990 /nfs/dbraw/zinc/33/99/90/171339990.db2.gz RMSCOISHIVZIJF-QWRGUYRKSA-N 1 0 261.391 0.399 10 0 CCAERO NC(=O)C1CCN(CC(=O)Nc2ccccc2C[NH3+])CC1 ZINC000022210921 171373414 /nfs/dbraw/zinc/37/34/14/171373414.db2.gz FWGKZNZCPASNRB-UHFFFAOYSA-N 1 0 290.367 0.281 10 0 CCAERO NC(=O)[C@@H]1CCCN(CC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000022219889 171377436 /nfs/dbraw/zinc/37/74/36/171377436.db2.gz SOUHAOQOIIAZOG-GFCCVEGCSA-N 1 0 290.367 0.281 10 0 CCAERO O=C(NCc1cc[nH]n1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653072984 412208622 /nfs/dbraw/zinc/20/86/22/412208622.db2.gz MXLGTXZQEGUVAS-HTQZYQBOSA-N 1 0 262.235 0.424 10 0 CCAERO CC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCOC2)[C@@H](C)CO1 ZINC000653203387 412258503 /nfs/dbraw/zinc/25/85/03/412258503.db2.gz JEAYFWLMBXSNLX-QJPTWQEYSA-N 1 0 256.346 0.248 10 0 CCAERO CN(C[C@H]1CCOC1)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653100037 412218739 /nfs/dbraw/zinc/21/87/39/412218739.db2.gz GMCGWLNPKZJMBE-OPRDCNLKSA-N 1 0 280.290 0.879 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@H]1CCc2ccccc2C1 ZINC000653138630 412238289 /nfs/dbraw/zinc/23/82/89/412238289.db2.gz CYWZEJVNZSEEEA-SOUVJXGZSA-N 1 0 274.364 0.488 10 0 CCAERO NC(=O)[C@H]1CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653148199 412242457 /nfs/dbraw/zinc/24/24/57/412242457.db2.gz RJTGFVIFRIOPHE-DJLDLDEBSA-N 1 0 293.289 0.108 10 0 CCAERO C[NH+](C)CCCNS(=O)(=O)c1ccccc1NN ZINC000035062915 171963827 /nfs/dbraw/zinc/96/38/27/171963827.db2.gz YVYJOCYRCFVULK-UHFFFAOYSA-N 1 0 272.374 0.202 10 0 CCAERO CCNC(=O)C[NH2+][C@H](C)C(=O)N1CCCCCC1 ZINC000035142091 172008965 /nfs/dbraw/zinc/00/89/65/172008965.db2.gz DJFILVGTLAFMBC-LLVKDONJSA-N 1 0 255.362 0.503 10 0 CCAERO CCNS(=O)(=O)c1ccc(NCCC[NH3+])cc1 ZINC000035348997 172143916 /nfs/dbraw/zinc/14/39/16/172143916.db2.gz GOBXAYNJZLWUQS-UHFFFAOYSA-N 1 0 257.359 0.746 10 0 CCAERO C[NH2+]Cc1c(N(C)CC(=O)N(C)C)nc2sccn12 ZINC000035430344 172199329 /nfs/dbraw/zinc/19/93/29/172199329.db2.gz FDFSHWAZEGNOMV-UHFFFAOYSA-N 1 0 281.385 0.640 10 0 CCAERO C[C@@H](O)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1 ZINC000035634221 172317677 /nfs/dbraw/zinc/31/76/77/172317677.db2.gz JIRQFGUNVQAUDW-SNVBAGLBSA-N 1 0 272.370 0.580 10 0 CCAERO CC(C)[C@H](C[NH2+]C1CCS(=O)(=O)CC1)N(C)C ZINC000035652348 172328506 /nfs/dbraw/zinc/32/85/06/172328506.db2.gz CXRYTDKFWKTBMI-LBPRGKRZSA-N 1 0 262.419 0.739 10 0 CCAERO Cc1n[nH]c(C)c1S(=O)(=O)N[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000035691661 172359824 /nfs/dbraw/zinc/35/98/24/172359824.db2.gz KUGZMNWMSZWBIU-KCJUWKMLSA-N 1 0 286.401 0.835 10 0 CCAERO C[C@@H](NS(=O)(=O)N1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000035691649 172360229 /nfs/dbraw/zinc/36/02/29/172360229.db2.gz IAAWKCOBHSCSBN-NEPJUHHUSA-N 1 0 275.418 0.837 10 0 CCAERO OC[C@H]1C[C@H](O)C[N@@H+]1CC[C@@H](O)c1ccccc1 ZINC000285362423 196260353 /nfs/dbraw/zinc/26/03/53/196260353.db2.gz QRXIKUGHINYVCX-HZSPNIEDSA-N 1 0 251.326 0.538 10 0 CCAERO CN(C(=O)Cc1ccc(F)cc1)[C@@H]1C[NH2+]C[C@H]1O ZINC000036261543 172554712 /nfs/dbraw/zinc/55/47/12/172554712.db2.gz SIFRGCCVNUGGMM-VXGBXAGGSA-N 1 0 252.289 0.159 10 0 CCAERO COc1ccc(S(=O)(=O)N[C@@H]2C[C@@H]2[NH3+])c(OC)c1 ZINC000036264332 172557945 /nfs/dbraw/zinc/55/79/45/172557945.db2.gz KAYFZBPZPJHTDQ-DTWKUNHWSA-N 1 0 272.326 0.082 10 0 CCAERO CCOc1cc(C[NH2+]CCS(N)(=O)=O)ccc1O ZINC000036745478 172673630 /nfs/dbraw/zinc/67/36/30/172673630.db2.gz KDSMDBVZDCKDKO-UHFFFAOYSA-N 1 0 274.342 0.169 10 0 CCAERO C[C@H](CS(C)(=O)=O)[N@H+](C)C[C@H]1CCC[C@H](O)C1 ZINC000659921585 413973254 /nfs/dbraw/zinc/97/32/54/413973254.db2.gz ZHASDYACQFWZLX-WOPDTQHZSA-N 1 0 263.403 0.902 10 0 CCAERO [NH3+]CCc1ccc(OCCn2cccnc2=O)cc1 ZINC000037050523 172917910 /nfs/dbraw/zinc/91/79/10/172917910.db2.gz ZOXWKCZMPQLAEN-UHFFFAOYSA-N 1 0 259.309 0.824 10 0 CCAERO COCc1cc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)no1 ZINC000285778677 196396319 /nfs/dbraw/zinc/39/63/19/196396319.db2.gz MYGIYSWWNYQIMO-OLZOCXBDSA-N 1 0 295.339 0.366 10 0 CCAERO CCN(CC)S(=O)(=O)N(CC)[C@H]1CCC[NH2+]C1 ZINC000037540725 173261919 /nfs/dbraw/zinc/26/19/19/173261919.db2.gz SQQBDXPHQXGXTB-NSHDSACASA-N 1 0 263.407 0.647 10 0 CCAERO C[C@@H]1C[C@H](C)C[N@@H+](CCN2C[C@H](O)C[C@@H]2CO)C1 ZINC000660148625 414155821 /nfs/dbraw/zinc/15/58/21/414155821.db2.gz ROEOLTYABDKLSS-XJFOESAGSA-N 1 0 256.390 0.392 10 0 CCAERO Cc1n[nH]cc1S(=O)(=O)NCC[C@H]1CCCC[NH2+]1 ZINC000037730544 173650538 /nfs/dbraw/zinc/65/05/38/173650538.db2.gz KYAKSBMFMDPLFY-SNVBAGLBSA-N 1 0 272.374 0.529 10 0 CCAERO CCCN1CCN(S(=O)(=O)c2cc[nH+]c(NN)c2)CC1 ZINC000038008863 173973570 /nfs/dbraw/zinc/97/35/70/173973570.db2.gz LLRVNNQXMVJHCF-UHFFFAOYSA-N 1 0 299.400 0.084 10 0 CCAERO CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1cccn1C1CC1 ZINC000038031176 174024298 /nfs/dbraw/zinc/02/42/98/174024298.db2.gz LTQWZRZSBVACBN-UHFFFAOYSA-N 1 0 290.367 0.327 10 0 CCAERO CS(=O)(=O)CCCNC(=O)C[NH2+]C1CCCC1 ZINC000038048232 174058516 /nfs/dbraw/zinc/05/85/16/174058516.db2.gz IGNZWWSAGDVCSI-UHFFFAOYSA-N 1 0 262.375 0.070 10 0 CCAERO Cc1nc(C)c([C@H](C)[NH2+]C[C@@H]2COCCO2)c(=O)[nH]1 ZINC000038061171 174072378 /nfs/dbraw/zinc/07/23/78/174072378.db2.gz ZAZLBDXYYFLCRW-GZMMTYOYSA-N 1 0 267.329 0.453 10 0 CCAERO Cc1nc(C)c([C@H](C)[NH2+]C[C@H]2COCCO2)c(=O)[nH]1 ZINC000038061173 174072592 /nfs/dbraw/zinc/07/25/92/174072592.db2.gz ZAZLBDXYYFLCRW-KWQFWETISA-N 1 0 267.329 0.453 10 0 CCAERO NC(=O)c1ccccc1C[NH2+]C[C@@H]1COCCO1 ZINC000038061996 174073503 /nfs/dbraw/zinc/07/35/03/174073503.db2.gz QDKRLHUTMOYLGZ-LLVKDONJSA-N 1 0 250.298 0.291 10 0 CCAERO O=S1(=O)CC[C@@H](C[NH2+][C@H]2COc3cc(O)ccc32)C1 ZINC000038082921 174093123 /nfs/dbraw/zinc/09/31/23/174093123.db2.gz KMFVMGMMJDYPJD-CABZTGNLSA-N 1 0 283.349 0.850 10 0 CCAERO [NH3+]Cc1c(F)cccc1O[C@@H]1CCS(=O)(=O)C1 ZINC000038084356 174094418 /nfs/dbraw/zinc/09/44/18/174094418.db2.gz AZYSKPNPCMHMPG-MRVPVSSYSA-N 1 0 259.302 0.850 10 0 CCAERO C[NH2+]Cc1ccccc1O[C@H]1CCS(=O)(=O)C1 ZINC000038084473 174094531 /nfs/dbraw/zinc/09/45/31/174094531.db2.gz XNCAUULWLMNMEE-NSHDSACASA-N 1 0 255.339 0.972 10 0 CCAERO O=C1C[C@@H]([NH2+]CC[C@H]2CCCO2)C(=O)N1C1CC1 ZINC000038096519 174111136 /nfs/dbraw/zinc/11/11/36/174111136.db2.gz LXRQERVAWFYXKH-GHMZBOCLSA-N 1 0 252.314 0.435 10 0 CCAERO CCCN(CC(=O)N(C)C)C(=O)[C@@H]([NH3+])[C@H](C)CC ZINC000038101114 174116011 /nfs/dbraw/zinc/11/60/11/174116011.db2.gz SMUDGCJIJUYFQS-PWSUYJOCSA-N 1 0 257.378 0.687 10 0 CCAERO COC(=O)C[C@@H]1CCCCN1C(=O)C[NH2+]C(C)C ZINC000038101967 174118462 /nfs/dbraw/zinc/11/84/62/174118462.db2.gz YZMYGSFILKKIDY-NSHDSACASA-N 1 0 256.346 0.929 10 0 CCAERO CC[NH+](CC)CCN1CCC(=O)[C@@H](C(=O)OC)C1 ZINC000038920012 174159415 /nfs/dbraw/zinc/15/94/15/174159415.db2.gz HNHAFNBOOORIAJ-NSHDSACASA-N 1 0 256.346 0.392 10 0 CCAERO [NH3+]CCCCCCNC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000040167870 174199231 /nfs/dbraw/zinc/19/92/31/174199231.db2.gz BZJSCYFMPZFUCR-NSHDSACASA-N 1 0 291.417 0.239 10 0 CCAERO CC(C)N(C)C(=O)CSc1nc(N)cc(N)[nH+]1 ZINC000040418984 174257039 /nfs/dbraw/zinc/25/70/39/174257039.db2.gz KWKQXGAKSURQHF-UHFFFAOYSA-N 1 0 255.347 0.600 10 0 CCAERO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC(F)(F)CN2)C1 ZINC000662622781 414733861 /nfs/dbraw/zinc/73/38/61/414733861.db2.gz UBRXDGHGPBDDDM-NXEZZACHSA-N 1 0 275.343 0.973 10 0 CCAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CC[C@H]2COC[C@H]2C1 ZINC000662710767 414745167 /nfs/dbraw/zinc/74/51/67/414745167.db2.gz JKPLAYWGXLWGIR-RWMBFGLXSA-N 1 0 252.358 0.871 10 0 CCAERO CN(C(=O)C[C@H]1CCOC1)[C@@H](C[NH3+])C(F)(F)F ZINC000662980264 414931914 /nfs/dbraw/zinc/93/19/14/414931914.db2.gz OYTLQMBYZDKCTJ-SFYZADRCSA-N 1 0 254.252 0.761 10 0 CCAERO CN(C(=O)C1CCOCC1)[C@@H](C[NH3+])C(F)(F)F ZINC000662977529 414932372 /nfs/dbraw/zinc/93/23/72/414932372.db2.gz LAXSGIYDCHLFSG-QMMMGPOBSA-N 1 0 254.252 0.761 10 0 CCAERO CCNC(=O)CN(CC)c1nc2sccn2c1C[NH3+] ZINC000042370552 174701055 /nfs/dbraw/zinc/70/10/55/174701055.db2.gz NYXCTLJOWCHKMS-UHFFFAOYSA-N 1 0 281.385 0.817 10 0 CCAERO CO[C@H](CNC(=O)[C@@H]1C[NH2+]CCOC1)C1CCCCC1 ZINC000662928639 414898953 /nfs/dbraw/zinc/89/89/53/414898953.db2.gz RPWOHWMLFZYLOH-ZIAGYGMSSA-N 1 0 284.400 0.934 10 0 CCAERO CC(C)(C)[NH+]1CCN(C(=O)c2c[nH]nc2N)CC1 ZINC000042463253 174752619 /nfs/dbraw/zinc/75/26/19/174752619.db2.gz JNWWCXXZVZKNHW-UHFFFAOYSA-N 1 0 251.334 0.548 10 0 CCAERO CN([C@@H]1C[NH2+]C[C@H]1O)S(=O)(=O)CC1CCCCC1 ZINC000042520789 174772278 /nfs/dbraw/zinc/77/22/78/174772278.db2.gz OQCSZSVWNUFWRI-VXGBXAGGSA-N 1 0 276.402 0.161 10 0 CCAERO CC(C)CC[C@@H](C)NS(=O)(=O)N(C)CCC[NH3+] ZINC000042525318 174775248 /nfs/dbraw/zinc/77/52/48/174775248.db2.gz TWDAWFWNNBGXHB-LLVKDONJSA-N 1 0 265.423 0.926 10 0 CCAERO CCN([C@H](C)COC)S(=O)(=O)C1CC[NH2+]CC1 ZINC000042782398 174878397 /nfs/dbraw/zinc/87/83/97/174878397.db2.gz XRWCWAQXSIEYID-SNVBAGLBSA-N 1 0 264.391 0.425 10 0 CCAERO COCCS(=O)(=O)N1C[C@@H]2C[C@H]([NH3+])CC[C@@H]2C1 ZINC000042810168 174884159 /nfs/dbraw/zinc/88/41/59/174884159.db2.gz BEDLPRNTMHFMCW-OUAUKWLOSA-N 1 0 262.375 0.022 10 0 CCAERO C[C@H]([NH3+])[C@H](c1cccc(F)c1)N(CCO)CCO ZINC000042972238 174935718 /nfs/dbraw/zinc/93/57/18/174935718.db2.gz YVUZHFOJAIOJMY-GXFFZTMASA-N 1 0 256.321 0.501 10 0 CCAERO O=S1(=O)N=C(NC[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000044503126 175186126 /nfs/dbraw/zinc/18/61/26/175186126.db2.gz WBHDTUMHGRBEPL-JTQLQIEISA-N 1 0 279.365 0.725 10 0 CCAERO CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1cc[nH+]c(C)c1 ZINC000664268594 415321216 /nfs/dbraw/zinc/32/12/16/415321216.db2.gz KFBCHEFMSGUUNP-QWRGUYRKSA-N 1 0 256.327 0.036 10 0 CCAERO COc1nc(OC)nc(N(C)CC[NH2+]C(C)C)n1 ZINC000061452954 175646360 /nfs/dbraw/zinc/64/63/60/175646360.db2.gz VYPOBVCYOUZWLS-UHFFFAOYSA-N 1 0 255.322 0.323 10 0 CCAERO Cn1c2ccc([C@@H](O)[C@@H]3CCC[NH2+]C3)cc2n(C)c1=O ZINC000070522226 175967912 /nfs/dbraw/zinc/96/79/12/175967912.db2.gz LJBGMIQTKVJCGP-BXUZGUMPSA-N 1 0 275.352 0.910 10 0 CCAERO CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)c1cc(N)cs1 ZINC000071188316 176062519 /nfs/dbraw/zinc/06/25/19/176062519.db2.gz VKQRFOLIDUOUEN-VIFPVBQESA-N 1 0 289.426 0.903 10 0 CCAERO COCC[N@H+](CCC(N)=S)CC(=O)NC(C)C ZINC000071225953 176089579 /nfs/dbraw/zinc/08/95/79/176089579.db2.gz RERKWUPMEGRSNB-UHFFFAOYSA-N 1 0 261.391 0.136 10 0 CCAERO C[C@H]1CCC[NH2+][C@H]1CNS(=O)(=O)C[C@@H]1CCCO1 ZINC000071339189 176129566 /nfs/dbraw/zinc/12/95/66/176129566.db2.gz CYDCIGFHURZHAL-SRVKXCTJSA-N 1 0 276.402 0.473 10 0 CCAERO C[NH2+]Cc1nnnn1Cc1cc(OC)ccc1OC ZINC000076361310 177002173 /nfs/dbraw/zinc/00/21/73/177002173.db2.gz AJHFDCAHIKYHEE-UHFFFAOYSA-N 1 0 263.301 0.458 10 0 CCAERO CCC[C@@H](C[NH3+])CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000076675197 177055463 /nfs/dbraw/zinc/05/54/63/177055463.db2.gz HFPANULVVRZDNB-ZJUUUORDSA-N 1 0 262.375 0.055 10 0 CCAERO [NH3+]CC[C@@H](C(=O)NC[C@@H]1CCCO1)c1cccnc1 ZINC000076678153 177057128 /nfs/dbraw/zinc/05/71/28/177057128.db2.gz OAAAYJVTEKQGJK-QWHCGFSZSA-N 1 0 263.341 0.809 10 0 CCAERO CS(=O)(=O)c1cnn(-c2cccc(F)c2CC[NH3+])c1 ZINC000725242046 545873092 /nfs/dbraw/zinc/87/30/92/545873092.db2.gz BUQZFLUROFMVLN-UHFFFAOYSA-N 1 0 283.328 0.916 10 0 CCAERO CS(=O)(=O)c1cnn([C@H](C[NH3+])c2ccc(F)cc2)c1 ZINC000725252190 545876759 /nfs/dbraw/zinc/87/67/59/545876759.db2.gz KGUDTBAKIYFTKJ-GFCCVEGCSA-N 1 0 283.328 0.974 10 0 CCAERO CC(C)(C)[C@@H]([NH3+])[C@@H](CO)n1cc(S(C)(=O)=O)cn1 ZINC000725251988 545877155 /nfs/dbraw/zinc/87/71/55/545877155.db2.gz JDQOMMXDIGCEKV-ZJUUUORDSA-N 1 0 275.374 0.193 10 0 CCAERO Cn1nccc1-c1c(C[NH3+])nnn1[C@@H]1CCSC1 ZINC000725257811 545879813 /nfs/dbraw/zinc/87/98/13/545879813.db2.gz XVURTPLHTDZZSO-MRVPVSSYSA-N 1 0 264.358 0.815 10 0 CCAERO CS(=O)(=O)N1CC[C@@H]2CC[C@@]21[C@H]1CCC[NH2+]C1 ZINC000725263569 545883319 /nfs/dbraw/zinc/88/33/19/545883319.db2.gz RHNQOVWNVSPERD-SRVKXCTJSA-N 1 0 258.387 0.800 10 0 CCAERO COC1(OC)CC[C@H](CS(C)(=O)=O)C[C@H]1CC[NH3+] ZINC000725261975 545882194 /nfs/dbraw/zinc/88/21/94/545882194.db2.gz PFSNDYVYHTWOPM-WDEREUQCSA-N 1 0 279.402 0.785 10 0 CCAERO CCCCS(=O)(=O)N[C@@H]1CCOC12CC[NH2+]CC2 ZINC000725269091 545886751 /nfs/dbraw/zinc/88/67/51/545886751.db2.gz DLQLPIFUOGRNSM-LLVKDONJSA-N 1 0 276.402 0.617 10 0 CCAERO CCCS(=O)(=O)N1CCC2(CC1)OCC[C@@H]2[NH3+] ZINC000725269210 545886093 /nfs/dbraw/zinc/88/60/93/545886093.db2.gz GHUIQJIZAACTNH-JTQLQIEISA-N 1 0 262.375 0.308 10 0 CCAERO CC(C)[C@@H](C)C(=O)N1CC(N2C[C@@H]([NH3+])CC2=O)C1 ZINC000725271780 545887502 /nfs/dbraw/zinc/88/75/02/545887502.db2.gz CHPZAFSAZWZNIB-ZJUUUORDSA-N 1 0 253.346 0.049 10 0 CCAERO OCCc1cn([C@@H]2CCOC3(CC[NH2+]CC3)C2)nn1 ZINC000725272807 545887684 /nfs/dbraw/zinc/88/76/84/545887684.db2.gz RKFXQSIHFQJFFN-GFCCVEGCSA-N 1 0 266.345 0.287 10 0 CCAERO COCCC(=O)N1C[C@H](C)OC2(CC[NH2+]CC2)C1 ZINC000725271335 545888722 /nfs/dbraw/zinc/88/87/22/545888722.db2.gz CXELFPKWEJCVQA-NSHDSACASA-N 1 0 256.346 0.392 10 0 CCAERO C[C@@H](O)C[NH2+][C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000037257676 544422089 /nfs/dbraw/zinc/42/20/89/544422089.db2.gz LYAGKMBYFLUITF-MWLCHTKSSA-N 1 0 255.339 0.876 10 0 CCAERO CCCC(=O)NC1CCN(C(=O)[C@@H](C)[NH2+]C)CC1 ZINC000054075185 544442001 /nfs/dbraw/zinc/44/20/01/544442001.db2.gz MJXNACSHLANWBX-SNVBAGLBSA-N 1 0 255.362 0.502 10 0 CCAERO O=C(C[C@H]1CCC[NH2+]C1)N1CC[C@H](N2CCOCC2)C1 ZINC000062976837 544447248 /nfs/dbraw/zinc/44/72/48/544447248.db2.gz RBTCMDMRFXFXQI-KGLIPLIRSA-N 1 0 281.400 0.309 10 0 CCAERO CN(C)c1ncc(C[NH2+][C@H]2CCC[C@H](O)C2)n1C ZINC000070143544 544448572 /nfs/dbraw/zinc/44/85/72/544448572.db2.gz UBIYIDWBKNEPEI-JQWIXIFHSA-N 1 0 252.362 0.879 10 0 CCAERO CC[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089462463 544514246 /nfs/dbraw/zinc/51/42/46/544514246.db2.gz PPFJPOFCXDTPMI-GMTAPVOTSA-N 1 0 253.346 0.098 10 0 CCAERO O[C@H](C[NH2+]CC1CC(O)C1)COCc1cccs1 ZINC000091524714 544528022 /nfs/dbraw/zinc/52/80/22/544528022.db2.gz QANAFBRDFRMYQB-HTAVTVPLSA-N 1 0 271.382 0.986 10 0 CCAERO CC(C)(C)OC(=O)N1CC(O)(C2(C[NH3+])CCOCC2)C1 ZINC000091925246 544529312 /nfs/dbraw/zinc/52/93/12/544529312.db2.gz RWVFFKYBFCTSAY-UHFFFAOYSA-N 1 0 286.372 0.724 10 0 CCAERO O=C(C[C@H]1CCC[NH2+]C1)NCCCn1cccn1 ZINC000126982133 544602019 /nfs/dbraw/zinc/60/20/19/544602019.db2.gz JVKKOXQAYQYBRO-GFCCVEGCSA-N 1 0 250.346 0.779 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCC(=O)N1CCCCC1 ZINC000135362934 544635206 /nfs/dbraw/zinc/63/52/06/544635206.db2.gz WWMWBDNJYHLIPA-RYUDHWBXSA-N 1 0 267.373 0.490 10 0 CCAERO C[C@@H]1OCC[C@@H]1NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000149747895 544648420 /nfs/dbraw/zinc/64/84/20/544648420.db2.gz FEIRCMWSWYQRSI-NRPADANISA-N 1 0 266.263 0.822 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)Nc1cccnc1-n1cncn1 ZINC000136422612 544638807 /nfs/dbraw/zinc/63/88/07/544638807.db2.gz NZIPYPXOAHHPNG-SNVBAGLBSA-N 1 0 274.328 0.974 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC000136356964 544639478 /nfs/dbraw/zinc/63/94/78/544639478.db2.gz OMCPIZBRTUHHDB-ZDUSSCGKSA-N 1 0 281.400 0.877 10 0 CCAERO CNC(=O)[C@H]([NH2+]CC(=O)NCC(F)(F)F)C(C)C ZINC000183655980 544769429 /nfs/dbraw/zinc/76/94/29/544769429.db2.gz YFZXTKBWNWXTMT-MRVPVSSYSA-N 1 0 269.267 0.025 10 0 CCAERO CNC(=O)[C@H]([NH2+]CC(=O)N1CCCCC1)C(C)C ZINC000183677725 544769824 /nfs/dbraw/zinc/76/98/24/544769824.db2.gz ASVWCSVVHBWLFJ-GFCCVEGCSA-N 1 0 255.362 0.359 10 0 CCAERO CNC(=O)[C@H]([NH2+]CC(=O)N1CCC[C@H](C)C1)C(C)C ZINC000183668976 544769983 /nfs/dbraw/zinc/76/99/83/544769983.db2.gz PLQNKMMGXPOOGT-WCQYABFASA-N 1 0 269.389 0.605 10 0 CCAERO Cc1c(CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])cnn1C ZINC000226697615 544832046 /nfs/dbraw/zinc/83/20/46/544832046.db2.gz JYYLVWMMPCITJR-CMPLNLGQSA-N 1 0 250.346 0.720 10 0 CCAERO CCc1ncnc(N2CCO[C@@H]([C@@H](C)[NH3+])C2)c1F ZINC000234179078 544867450 /nfs/dbraw/zinc/86/74/50/544867450.db2.gz GAPZXMAYKQWJAK-PSASIEDQSA-N 1 0 254.309 0.731 10 0 CCAERO C[C@]1(C(N)=O)CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000235730185 544876630 /nfs/dbraw/zinc/87/66/30/544876630.db2.gz NLQDVGDPVUYBBY-BREBYQMCSA-N 1 0 253.346 0.085 10 0 CCAERO Cc1cnn(CCNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)c1 ZINC000235940420 544877850 /nfs/dbraw/zinc/87/78/50/544877850.db2.gz TVMZDESSLKBOBN-LLVKDONJSA-N 1 0 290.289 0.850 10 0 CCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000235306820 544873850 /nfs/dbraw/zinc/87/38/50/544873850.db2.gz IBIHGSFQHQQEOS-RAIGVLPGSA-N 1 0 278.356 0.856 10 0 CCAERO O=S(=O)(CC[C@H]1CCCO1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000245991026 544906998 /nfs/dbraw/zinc/90/69/98/544906998.db2.gz GJFQVIHLYMKFRT-CHWSQXEVSA-N 1 0 288.413 0.665 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H]2C(=O)NC)C1 ZINC000245779444 544907150 /nfs/dbraw/zinc/90/71/50/544907150.db2.gz HKPCRDMOZUVGBY-RYUDHWBXSA-N 1 0 282.388 0.391 10 0 CCAERO Cc1oncc1CN1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248574780 544914472 /nfs/dbraw/zinc/91/44/72/544914472.db2.gz NATOLZIXTKNBMK-MNOVXSKESA-N 1 0 253.346 0.870 10 0 CCAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000250898330 544924984 /nfs/dbraw/zinc/92/49/84/544924984.db2.gz AHZGKPSAAFJVKN-BFHYXJOUSA-N 1 0 281.400 0.437 10 0 CCAERO C[C@H](NC(=O)[C@H]1CCC[C@H]1C[NH3+])c1nnc2n1CCC2 ZINC000251281389 544926525 /nfs/dbraw/zinc/92/65/25/544926525.db2.gz RMNNITVSDCJIOX-DCAQKATOSA-N 1 0 277.372 0.777 10 0 CCAERO CCc1ccc(CCC(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262096259 544938877 /nfs/dbraw/zinc/93/88/77/544938877.db2.gz DJLIPQIDPNGJIT-HUUCEWRRSA-N 1 0 276.380 0.878 10 0 CCAERO COCCOc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262084490 544939747 /nfs/dbraw/zinc/93/97/47/544939747.db2.gz CQEYBSIQWRAFKC-JSGCOSHPSA-N 1 0 294.351 0.022 10 0 CCAERO Cc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1Cl ZINC000262107025 544940375 /nfs/dbraw/zinc/94/03/75/544940375.db2.gz FCWFXRISUCBBOL-JQWIXIFHSA-N 1 0 268.744 0.959 10 0 CCAERO COc1ccc(OC)c(CNC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262119059 544940812 /nfs/dbraw/zinc/94/08/12/544940812.db2.gz LSWKMMHLPQXKHP-AAEUAGOBSA-N 1 0 266.341 0.374 10 0 CCAERO Cc1nc(CC(C)C)sc1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262148480 544942031 /nfs/dbraw/zinc/94/20/31/544942031.db2.gz HPKQPKUBVSNHDN-GHMZBOCLSA-N 1 0 297.424 0.960 10 0 CCAERO COc1ccc(CCC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1F ZINC000262152178 544942378 /nfs/dbraw/zinc/94/23/78/544942378.db2.gz HUENBUFWWFDHJA-WCQYABFASA-N 1 0 296.342 0.463 10 0 CCAERO CSc1ccsc1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262144208 544942482 /nfs/dbraw/zinc/94/24/82/544942482.db2.gz HHVZRJLDNYKKJD-SFYZADRCSA-N 1 0 272.395 0.780 10 0 CCAERO CCO[C@@H]1C[C@H](NC(=O)NC[C@H]2CC[NH2+]C2)[C@@]12CCCO2 ZINC000333753035 545042640 /nfs/dbraw/zinc/04/26/40/545042640.db2.gz KFBJBQFHGBISNC-XPCVCDNBSA-N 1 0 297.399 0.622 10 0 CCAERO C[C@@H]1C[C@@H](O)CN(C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333746994 545042681 /nfs/dbraw/zinc/04/26/81/545042681.db2.gz YLUVQWMDDRSUBL-IJLUTSLNSA-N 1 0 255.362 0.541 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CCO[C@@H](C2CC2)C1 ZINC000333841996 545043626 /nfs/dbraw/zinc/04/36/26/545043626.db2.gz OKVJNFAKEWZLDX-CYZMBNFOSA-N 1 0 267.373 0.947 10 0 CCAERO C[C@@H](CNC(=O)N[C@H]1CCCC[NH2+]C1)N1CCOCC1 ZINC000333899475 545044444 /nfs/dbraw/zinc/04/44/44/545044444.db2.gz BICNXEKZKLSGBI-STQMWFEESA-N 1 0 284.404 0.148 10 0 CCAERO CC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](C)N2CCOCC2)C1 ZINC000334022792 545044895 /nfs/dbraw/zinc/04/48/95/545044895.db2.gz DRTMZXJEJNEVJJ-OLZOCXBDSA-N 1 0 284.404 0.101 10 0 CCAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1COC[C@H]1O ZINC000333998643 545045243 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CC[NH+]1CCN([C@@H]2CCN(C(=O)C3=CCCCO3)C2)CC1 ZINC000174676313 276197548 /nfs/dbraw/zinc/19/75/48/276197548.db2.gz UGWASEDHPBULMV-CQSZACIVSA-N 1 0 293.411 0.919 10 0 CCAERO CCn1cnc(S(=O)(=O)N2CC[C@H](C)C[C@H]2C[NH3+])c1 ZINC000261574756 276718905 /nfs/dbraw/zinc/71/89/05/276718905.db2.gz XQLXXUUFILRMEC-QWRGUYRKSA-N 1 0 286.401 0.651 10 0 CCAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCC[C@H](O)C2)C1 ZINC000129240228 276784885 /nfs/dbraw/zinc/78/48/85/276784885.db2.gz RYTOFVZOFBTOBG-TUAOUCFPSA-N 1 0 255.362 0.635 10 0 CCAERO CC(=O)NCC(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000335988987 277027878 /nfs/dbraw/zinc/02/78/78/277027878.db2.gz OQTVRJNVUHOIRZ-ZYHUDNBSSA-N 1 0 253.346 0.208 10 0 CCAERO COC(=O)CCN1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000370406110 277058079 /nfs/dbraw/zinc/05/80/79/277058079.db2.gz LVIDGJVOCUAZJM-LLVKDONJSA-N 1 0 258.387 0.673 10 0 CCAERO C[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000264945631 277075693 /nfs/dbraw/zinc/07/56/93/277075693.db2.gz SFOVWZXXVDGKGE-STQMWFEESA-N 1 0 278.356 0.205 10 0 CCAERO CC(C)(C)OC(=O)N1C[C@@H](C[NH3+])[C@@H](N2CCOCC2)C1 ZINC000058041349 277195043 /nfs/dbraw/zinc/19/50/43/277195043.db2.gz MCHMILDYUDVJKL-NEPJUHHUSA-N 1 0 285.388 0.513 10 0 CCAERO COCC[N@H+](C)CCCNC(=O)[C@@H]1CCCO[C@@H]1C ZINC000188631659 277211566 /nfs/dbraw/zinc/21/15/66/277211566.db2.gz WZFZXUQODPQQLD-CHWSQXEVSA-N 1 0 272.389 0.886 10 0 CCAERO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCOCC1 ZINC000408073916 277499251 /nfs/dbraw/zinc/49/92/51/277499251.db2.gz YEVGMJGCMPZDLC-CHWSQXEVSA-N 1 0 290.429 0.863 10 0 CCAERO COC[C@@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC(C)(C)O1 ZINC000333848065 277578745 /nfs/dbraw/zinc/57/87/45/277578745.db2.gz PMMWYMSQELSOBV-OLZOCXBDSA-N 1 0 299.415 0.964 10 0 CCAERO CC(C)S(=O)(=O)CCN1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000261542583 277707351 /nfs/dbraw/zinc/70/73/51/277707351.db2.gz PRBZYKSLUQZTCE-VXGBXAGGSA-N 1 0 262.419 0.869 10 0 CCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000423653461 278098462 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C[C@@H](O)C[N@@H+]1CCN(C(=O)NC2CCC(O)CC2)C[C@@H]1C ZINC000184207965 278397268 /nfs/dbraw/zinc/39/72/68/278397268.db2.gz KVIYSRBFFZWKKG-MRFVTOPCSA-N 1 0 299.415 0.386 10 0 CCAERO C[C@](C[NH3+])(NS(=O)(=O)[C@H]1CCCOC1)C1CC1 ZINC000262096016 278552921 /nfs/dbraw/zinc/55/29/21/278552921.db2.gz SICRYXQARFRDDS-WDEREUQCSA-N 1 0 262.375 0.212 10 0 CCAERO Cc1cnn(CC[NH2+][C@@H](C)C(=O)NC(=O)NCC(C)C)c1 ZINC000105881585 279033637 /nfs/dbraw/zinc/03/36/37/279033637.db2.gz JTXMEAVZMPYYPA-LBPRGKRZSA-N 1 0 295.387 0.651 10 0 CCAERO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@]2(C)CCCNC2=O)C1 ZINC000372977616 279151041 /nfs/dbraw/zinc/15/10/41/279151041.db2.gz KSPUMKMMKVYKOA-DOMZBBRYSA-N 1 0 281.400 0.845 10 0 CCAERO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@]2(C)CCCNC2=O)C1 ZINC000372977619 279151598 /nfs/dbraw/zinc/15/15/98/279151598.db2.gz KSPUMKMMKVYKOA-IUODEOHRSA-N 1 0 281.400 0.845 10 0 CCAERO CC(C)[N@H+](C)CCNS(=O)(=O)N1C[C@@H](C)OC[C@H]1C ZINC000155599078 279359655 /nfs/dbraw/zinc/35/96/55/279359655.db2.gz PAEPNPKVRANZCQ-VXGBXAGGSA-N 1 0 293.433 0.270 10 0 CCAERO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@H]1CCc2nnnn2CC1 ZINC000333629278 288133209 /nfs/dbraw/zinc/13/32/09/288133209.db2.gz ARSULURSRGJGPX-NTZNESFSSA-N 1 0 276.388 0.450 10 0 CCAERO O=S(=O)(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCCC1 ZINC000329272806 280338466 /nfs/dbraw/zinc/33/84/66/280338466.db2.gz HYJNIBBZLHERBZ-GFCCVEGCSA-N 1 0 287.429 0.934 10 0 CCAERO CC[C@H](OC1CCCC1)C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262255442 281011344 /nfs/dbraw/zinc/01/13/44/281011344.db2.gz LUMPAGWKQZYVBE-WXHSDQCUSA-N 1 0 270.373 0.421 10 0 CCAERO CC1(C)CN(C(=O)NC2C[NH2+]C2)[C@@H]1[C@H]1CCCO1 ZINC000335397322 281170485 /nfs/dbraw/zinc/17/04/85/281170485.db2.gz UBAJKAQYABSFPM-GHMZBOCLSA-N 1 0 253.346 0.557 10 0 CCAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCCNC(N)=O ZINC000246890011 288315145 /nfs/dbraw/zinc/31/51/45/288315145.db2.gz GQVCJGZMJMBZSO-STQMWFEESA-N 1 0 296.415 0.910 10 0 CCAERO CC[C@](C)(O)C[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000249299129 281292890 /nfs/dbraw/zinc/29/28/90/281292890.db2.gz BUFCGVPSIBJRKL-MCIONIFRSA-N 1 0 256.390 0.800 10 0 CCAERO CC[C@](C)(O)C[NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000408073168 281295199 /nfs/dbraw/zinc/29/51/99/281295199.db2.gz VLDMIBFNQOZAIL-SRVKXCTJSA-N 1 0 278.418 0.597 10 0 CCAERO C[C@@H]1OCC[C@H]1NC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000333533748 288909882 /nfs/dbraw/zinc/90/98/82/288909882.db2.gz IGTUBXOFTIYFDO-NWDGAFQWSA-N 1 0 267.373 0.949 10 0 CCAERO CN1CCN(C)[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000085638664 290036860 /nfs/dbraw/zinc/03/68/60/290036860.db2.gz MMHAHLPCWZJRJE-RQJABVFESA-N 1 0 267.417 0.635 10 0 CCAERO C[C@H](O)C[N@@H+]1CCN(CC(=O)N2CCC[C@H](C)C2)C[C@H]1C ZINC000246307145 290111750 /nfs/dbraw/zinc/11/17/50/290111750.db2.gz ACIPPCBWGLCBAM-ZNMIVQPWSA-N 1 0 297.443 0.632 10 0 CCAERO CN1CC[C@H](NC(=O)N2CCC[N@@H+](C3CC3)CC2)C1=O ZINC000172628010 290204142 /nfs/dbraw/zinc/20/41/42/290204142.db2.gz SJTPGGJRWZYVQV-LBPRGKRZSA-N 1 0 280.372 0.097 10 0 CCAERO CO[C@@H](C[NH3+])CC(=O)NC[C@H](OC)c1ccc(F)cc1 ZINC000262883745 293522417 /nfs/dbraw/zinc/52/24/17/293522417.db2.gz NRLVGWWMDJEXFF-OLZOCXBDSA-N 1 0 284.331 0.993 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cn2c(n1)CCCC2 ZINC000261639464 295256208 /nfs/dbraw/zinc/25/62/08/295256208.db2.gz GAIFSJACGJCZIQ-QWRGUYRKSA-N 1 0 298.412 0.625 10 0 CCAERO [NH3+][C@@H]1CC[C@H]2CN(C(=O)C3SCCS3)C[C@@H]12 ZINC000262415070 295322955 /nfs/dbraw/zinc/32/29/55/295322955.db2.gz YVRWJGZVSXQLCJ-DJLDLDEBSA-N 1 0 258.412 0.988 10 0 CCAERO [NH3+][C@H]1CCCC[C@H]1NC1=NS(=O)(=O)c2ccccc21 ZINC000038050798 295334172 /nfs/dbraw/zinc/33/41/72/295334172.db2.gz QZMYDGPHWADHAJ-WDEREUQCSA-N 1 0 279.365 0.995 10 0 CCAERO C[C@@H](CC[NH3+])Nc1cnn(C)c(=O)c1Br ZINC000308929817 524480322 /nfs/dbraw/zinc/48/03/22/524480322.db2.gz QYOAKLKEOIALCX-LURJTMIESA-N 1 0 275.150 0.692 10 0 CCAERO C[C@H](CCN(C)C(=O)C1(C(N)=O)CC1)[NH+]1CCCC1 ZINC000067774652 298405195 /nfs/dbraw/zinc/40/51/95/298405195.db2.gz DSOOQFOTJJPERO-LLVKDONJSA-N 1 0 267.373 0.585 10 0 CCAERO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCCN(C)C(=O)C1 ZINC000188265439 298561918 /nfs/dbraw/zinc/56/19/18/298561918.db2.gz ODDSKEWAQTZGQC-CYBMUJFWSA-N 1 0 296.415 0.735 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)N1CCOCC(F)(F)C1 ZINC000334946652 303405363 /nfs/dbraw/zinc/40/53/63/303405363.db2.gz YSPOFPVNXVGYSL-UWVGGRQHSA-N 1 0 277.315 0.791 10 0 CCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000089452206 303426130 /nfs/dbraw/zinc/42/61/30/303426130.db2.gz PDYYYKGUGBXSQJ-MXWKQRLJSA-N 1 0 253.346 0.146 10 0 CCAERO C[C@@H]1NC(=O)CC[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000332697901 327644750 /nfs/dbraw/zinc/64/47/50/327644750.db2.gz ZRKFBSWKSYTECB-ZKYQVNSYSA-N 1 0 279.384 0.644 10 0 CCAERO O=C(C[NH2+]C[C@@H](O)COCc1ccco1)NCC1CC1 ZINC000393060238 329066520 /nfs/dbraw/zinc/06/65/20/329066520.db2.gz SHOOTKSGQZVWHD-GFCCVEGCSA-N 1 0 282.340 0.273 10 0 CCAERO C[C@@H](O)C[C@@H](C)CNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000398610248 329444915 /nfs/dbraw/zinc/44/49/15/329444915.db2.gz YMIJTXSRBFOUSK-VXGBXAGGSA-N 1 0 271.405 0.193 10 0 CCAERO CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@H](N2CCOCC2)C1 ZINC000536961104 330384248 /nfs/dbraw/zinc/38/42/48/330384248.db2.gz XDKWGKLUZCDALB-NWDGAFQWSA-N 1 0 270.373 0.638 10 0 CCAERO CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C[C@H]1C[NH3+] ZINC000405345533 545091931 /nfs/dbraw/zinc/09/19/31/545091931.db2.gz PVPHOLSMCUCCMG-NZEXEKPDSA-N 1 0 252.358 0.855 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000177437454 335372431 /nfs/dbraw/zinc/37/24/31/335372431.db2.gz VKLGWIQTFUVIRJ-VXGBXAGGSA-N 1 0 294.399 0.533 10 0 CCAERO C[C@@H]1CCN(C(=O)C(C)(C)N2CC[NH2+]CC2)[C@@H]1C ZINC000380791730 336030194 /nfs/dbraw/zinc/03/01/94/336030194.db2.gz LJGGIBHRZBLELS-VXGBXAGGSA-N 1 0 253.390 0.927 10 0 CCAERO Cc1cc(N[C@@H](CC[NH3+])C(F)F)n2ncnc2n1 ZINC000383454311 336109494 /nfs/dbraw/zinc/10/94/94/336109494.db2.gz MZFBMEOGCMLZIL-ZETCQYMHSA-N 1 0 256.260 0.827 10 0 CCAERO Cc1cnc(N2CC[C@H](N3CC[NH2+]CC3)C2)nc1C ZINC000386632471 336176811 /nfs/dbraw/zinc/17/68/11/336176811.db2.gz GSLSWIMJSRWEAO-ZDUSSCGKSA-N 1 0 261.373 0.577 10 0 CCAERO CC[NH2+]CCC(=O)Nc1cccc(OCC(N)=O)c1 ZINC000061292013 519918652 /nfs/dbraw/zinc/91/86/52/519918652.db2.gz MZQFWDCDDJEGPZ-UHFFFAOYSA-N 1 0 265.313 0.489 10 0 CCAERO CCC[N@H+](CC[C@@H](NC)C(=O)OCC)CCN(C)C ZINC000062527892 521670451 /nfs/dbraw/zinc/67/04/51/521670451.db2.gz LRLPGXHJVZQKPJ-CYBMUJFWSA-N 1 0 273.421 0.801 10 0 CCAERO CCNC(=O)CN(C)C(=O)[C@@H]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000055139523 521736149 /nfs/dbraw/zinc/73/61/49/521736149.db2.gz VGYJDNNUJKAZNZ-GMTAPVOTSA-N 1 0 255.362 0.344 10 0 CCAERO CN[C@@H](CCN1CC[NH+](C(C)C)CC1)C(=O)OC ZINC000062449974 522346267 /nfs/dbraw/zinc/34/62/67/522346267.db2.gz FFCHRPUSYMFJIC-LBPRGKRZSA-N 1 0 257.378 0.164 10 0 CCAERO CC(C)[N@H+]1C[C@H](NC(=O)CCCCNC(N)=O)[C@@H](C)C1 ZINC000155461928 519695589 /nfs/dbraw/zinc/69/55/89/519695589.db2.gz PDLSMRCFXHGQIY-RYUDHWBXSA-N 1 0 284.404 0.670 10 0 CCAERO CC(C)[NH2+]C[C@H]1CCCN1c1cncc2nnnn21 ZINC000053694528 519725444 /nfs/dbraw/zinc/72/54/44/519725444.db2.gz QPGHQJICCBYPGF-SNVBAGLBSA-N 1 0 261.333 0.486 10 0 CCAERO CC(C)[NH2+]Cc1cccc(N2CCS(=O)(=O)CC2)n1 ZINC000051446161 519727328 /nfs/dbraw/zinc/72/73/28/519727328.db2.gz ZHNWLAODDAGSAM-UHFFFAOYSA-N 1 0 283.397 0.814 10 0 CCAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000061227695 519967640 /nfs/dbraw/zinc/96/76/40/519967640.db2.gz LWGAXTIBGYHQPT-VIFPVBQESA-N 1 0 285.369 0.518 10 0 CCAERO CC[NH2+][C@@H](CN1CC[NH+](CC(C)C)CC1)C(=O)[O-] ZINC000055081191 520099102 /nfs/dbraw/zinc/09/91/02/520099102.db2.gz VAVZNRDOSOMNTJ-LBPRGKRZSA-N 1 0 257.378 0.323 10 0 CCAERO CC1(C)Cc2cccc(OCC[C@H]([NH3+])C(N)=O)c2O1 ZINC000062548227 520584860 /nfs/dbraw/zinc/58/48/60/520584860.db2.gz XYALYTFXHRUXGI-JTQLQIEISA-N 1 0 264.325 0.982 10 0 CCAERO CCCC[C@@H](C)NC(=O)[C@H]([NH3+])CCS(C)(=O)=O ZINC000050889149 521004559 /nfs/dbraw/zinc/00/45/59/521004559.db2.gz LYIDOIIJHJPDGF-NXEZZACHSA-N 1 0 264.391 0.443 10 0 CCAERO CCN(Cc1cccs1)[C@@H]1CS(=O)(=O)C[C@@H]1[NH3+] ZINC000054493627 521409102 /nfs/dbraw/zinc/40/91/02/521409102.db2.gz VXOLCSWICCWYGK-WDEREUQCSA-N 1 0 274.411 0.694 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(NN)n1 ZINC000051112487 521639438 /nfs/dbraw/zinc/63/94/38/521639438.db2.gz OFFAKSMRQZHMRA-SNVBAGLBSA-N 1 0 263.345 0.581 10 0 CCAERO CCNC(=O)[C@@H](C)NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055129136 521743299 /nfs/dbraw/zinc/74/32/99/521743299.db2.gz IWRLIGNKNRSGLA-VWYCJHECSA-N 1 0 255.362 0.535 10 0 CCAERO C[NH+](C)CCN1CCN(C(=O)C(C)(C)C(N)=S)CC1 ZINC000061646186 521761942 /nfs/dbraw/zinc/76/19/42/521761942.db2.gz VKMWVBQYXWGIFS-UHFFFAOYSA-N 1 0 286.445 0.005 10 0 CCAERO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)C1 ZINC000182804557 522053226 /nfs/dbraw/zinc/05/32/26/522053226.db2.gz YMEMDCWLZBNLNX-SNVBAGLBSA-N 1 0 298.364 0.740 10 0 CCAERO C[NH2+]C[C@H]1CCCCN1CC(=O)NC1CCOCC1 ZINC000063169340 522080516 /nfs/dbraw/zinc/08/05/16/522080516.db2.gz BDBKYDMNNNOBKT-CYBMUJFWSA-N 1 0 269.389 0.356 10 0 CCAERO C[NH2+][C@H](CCN(CC[NH+](C)C)CC(C)C)C(=O)[O-] ZINC000062456291 522460118 /nfs/dbraw/zinc/46/01/18/522460118.db2.gz MOUDCTDZHUTUEY-GFCCVEGCSA-N 1 0 259.394 0.569 10 0 CCAERO CC[C@@H](CO)NC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000054442957 522569309 /nfs/dbraw/zinc/56/93/09/522569309.db2.gz GFERBOMYQOMGDO-NSHDSACASA-N 1 0 265.357 0.913 10 0 CCAERO COc1cc(F)ccc1NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000049569966 522610583 /nfs/dbraw/zinc/61/05/83/522610583.db2.gz QFVVGSONFKPAQA-WPRPVWTQSA-N 1 0 254.261 0.496 10 0 CCAERO CNc1ccccc1S(=O)(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000050660148 522661723 /nfs/dbraw/zinc/66/17/23/522661723.db2.gz ZNRYJNJASAFAQK-NSHDSACASA-N 1 0 283.397 0.958 10 0 CCAERO CN1CCC[C@@H](NS(=O)(=O)C[C@@H]2CCCC[NH2+]2)C1 ZINC000049631241 523818131 /nfs/dbraw/zinc/81/81/31/523818131.db2.gz SQDCRCQTNOBBMP-NEPJUHHUSA-N 1 0 275.418 0.142 10 0 CCAERO COCCNC(=O)C[NH2+][C@@H](CC(C)C)CN(C)C ZINC000049555529 523897812 /nfs/dbraw/zinc/89/78/12/523897812.db2.gz NXJWPUYZVDRLDV-LBPRGKRZSA-N 1 0 259.394 0.315 10 0 CCAERO COCCNC(=O)C[NH2+][C@H](CC(C)C)CN(C)C ZINC000049555530 523898675 /nfs/dbraw/zinc/89/86/75/523898675.db2.gz NXJWPUYZVDRLDV-GFCCVEGCSA-N 1 0 259.394 0.315 10 0 CCAERO COCCNC(=O)COc1cccc([C@H](C)[NH3+])c1 ZINC000049277656 523900102 /nfs/dbraw/zinc/90/01/02/523900102.db2.gz SFSDAIZGBVYUAQ-JTQLQIEISA-N 1 0 252.314 0.848 10 0 CCAERO COCCNC(=O)[C@H](C)[NH2+][C@H](CN(C)C)C(C)C ZINC000049216395 523916389 /nfs/dbraw/zinc/91/63/89/523916389.db2.gz SPKMVNBKEBMPEH-NWDGAFQWSA-N 1 0 259.394 0.313 10 0 CCAERO C[C@H](CN1CCCCC1)[NH2+]CCN1CCNC1=O ZINC000049501893 524334469 /nfs/dbraw/zinc/33/44/69/524334469.db2.gz OSTYNIYTXOYLBL-GFCCVEGCSA-N 1 0 254.378 0.476 10 0 CCAERO C[C@@H](CCc1ccco1)[NH2+][C@@H]1CC(=O)N(C)C1=O ZINC000049564722 524546913 /nfs/dbraw/zinc/54/69/13/524546913.db2.gz DPJHYSJWYUXPRA-GXSJLCMTSA-N 1 0 250.298 0.948 10 0 CCAERO C[C@H]1CN(S(=O)(=O)C[C@@H]2CCC[NH2+]C2)CCO1 ZINC000049632129 524653258 /nfs/dbraw/zinc/65/32/58/524653258.db2.gz NHBSGPVWYQXZQS-WDEREUQCSA-N 1 0 262.375 0.037 10 0 CCAERO C[C@H]1CN(S(=O)(=O)C[C@@H]2CCCC[NH2+]2)CCO1 ZINC000049630573 524654494 /nfs/dbraw/zinc/65/44/94/524654494.db2.gz CRWBXNOPRKOAKO-QWRGUYRKSA-N 1 0 262.375 0.179 10 0 CCAERO C[C@H](NC(=O)CCC1CCC([NH3+])CC1)C(=O)N(C)C ZINC000055129726 524927432 /nfs/dbraw/zinc/92/74/32/524927432.db2.gz DVZVDILQTDLCHW-UNXYVOJBSA-N 1 0 269.389 0.877 10 0 CCAERO C[C@H]1C[C@H]1NS(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000052295809 524963087 /nfs/dbraw/zinc/96/30/87/524963087.db2.gz HUGSNPJEFIOVNV-IONNQARKSA-N 1 0 260.384 0.936 10 0 CCAERO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(N)=O)[C@H]1CCCO1 ZINC000183141425 525308230 /nfs/dbraw/zinc/30/82/30/525308230.db2.gz XZTMKQXUHJJQKN-GXFFZTMASA-N 1 0 291.351 0.881 10 0 CCAERO C[C@@H]([NH2+]CC(=O)NCc1cccnc1)[C@H]1CCCO1 ZINC000183123859 525412275 /nfs/dbraw/zinc/41/22/75/525412275.db2.gz UDKROSCJSDZBAT-DGCLKSJQSA-N 1 0 263.341 0.855 10 0 CCAERO C[C@H](C(=O)NCCc1cccs1)[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000184740423 526058670 /nfs/dbraw/zinc/05/86/70/526058670.db2.gz RLTNFOSTJSEDRY-IJLUTSLNSA-N 1 0 298.408 0.223 10 0 CCAERO O=C(C[N@H+]1CCC[C@H]1CCCO)N1CCC(=O)CC1 ZINC000052761171 526759202 /nfs/dbraw/zinc/75/92/02/526759202.db2.gz OGNKQYDHVKRTNI-LBPRGKRZSA-N 1 0 268.357 0.415 10 0 CCAERO NC(=[NH2+])c1ccc(N(CCO)CCO)c(Cl)c1 ZINC000062794081 526823277 /nfs/dbraw/zinc/82/32/77/526823277.db2.gz NNMCIKAQWCVXAA-UHFFFAOYSA-N 1 0 257.721 0.415 10 0 CCAERO O=C(C[NH2+][C@@H]1CCCC[C@@H]1O)NCC(F)(F)F ZINC000052015139 526888601 /nfs/dbraw/zinc/88/86/01/526888601.db2.gz ZGLJQMUDECYWHJ-SFYZADRCSA-N 1 0 254.252 0.558 10 0 CCAERO Cn1c(S[C@H](C[NH3+])c2ccccc2)n[nH]c1=O ZINC000061592602 527088546 /nfs/dbraw/zinc/08/85/46/527088546.db2.gz PWBSFVLHGBECLQ-SECBINFHSA-N 1 0 250.327 0.901 10 0 CCAERO [NH3+]CC1CCC(C(=O)N2CCC[C@H](CO)C2)CC1 ZINC000055145022 527164863 /nfs/dbraw/zinc/16/48/63/527164863.db2.gz TVPDRWGJFYOMPS-CPCZMJQVSA-N 1 0 254.374 0.982 10 0 CCAERO O=S(=O)(C[C@H]1CCC[NH2+]C1)Nc1ccccn1 ZINC000049632066 527187076 /nfs/dbraw/zinc/18/70/76/527187076.db2.gz OPXAOBVQVYQPDM-JTQLQIEISA-N 1 0 255.343 0.823 10 0 CCAERO [NH3+]C[C@]1([C@@H]2CS(=O)(=O)c3ccccc32)CCOC1 ZINC000054637654 527244001 /nfs/dbraw/zinc/24/40/01/527244001.db2.gz XAWNJFDKBPCTFK-DGCLKSJQSA-N 1 0 267.350 0.923 10 0 CCAERO NNc1ccnc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000051116201 527284632 /nfs/dbraw/zinc/28/46/32/527284632.db2.gz QHIPUVSBVNVLLT-SNVBAGLBSA-N 1 0 261.329 0.334 10 0 CCAERO [NH3+][C@H]1CCCC[C@@H]1CC(=O)NC1CCS(=O)(=O)CC1 ZINC000055129757 527396592 /nfs/dbraw/zinc/39/65/92/527396592.db2.gz NUWNZVHSLQAFGJ-PWSUYJOCSA-N 1 0 288.413 0.587 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1cn(C)nn1 ZINC000668736742 545189351 /nfs/dbraw/zinc/18/93/51/545189351.db2.gz GMERZEJSIMZDSF-WCQYABFASA-N 1 0 277.372 0.443 10 0 CCAERO CC(C)c1nccnc1NC[C@H]1C[N@H+](C)CCN1C ZINC000413134732 528361271 /nfs/dbraw/zinc/36/12/71/528361271.db2.gz CYNBFMICYIUPLJ-LBPRGKRZSA-N 1 0 263.389 0.680 10 0 CCAERO CC(C)(C)c1cc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)no1 ZINC000262400516 535104415 /nfs/dbraw/zinc/10/44/15/535104415.db2.gz YNQPOHXJSMIDNN-WPRPVWTQSA-N 1 0 267.329 0.282 10 0 CCAERO CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CC[NH2+]C3)[C@H]2C1 ZINC000675051113 545320409 /nfs/dbraw/zinc/32/04/09/545320409.db2.gz LLSFMUDMFIAXRO-VWYCJHECSA-N 1 0 297.355 0.788 10 0 CCAERO C[C@H]1CN(CC23CCC(CC2)[NH2+]3)C[C@H](C)S1(=O)=O ZINC000675055929 545320560 /nfs/dbraw/zinc/32/05/60/545320560.db2.gz DLDBUFRBUBFQNY-ZSVAQUKISA-N 1 0 272.414 0.778 10 0 CCAERO C[NH2+]C1(CNS(=O)(=O)C(C)C)CCOCC1 ZINC000675055555 545320714 /nfs/dbraw/zinc/32/07/14/545320714.db2.gz WFXZZZJIRWPJLS-UHFFFAOYSA-N 1 0 250.364 0.083 10 0 CCAERO CCC[C@@]1(C[NH3+])CN(S(=O)(=O)C(C)C)CCO1 ZINC000675059457 545320856 /nfs/dbraw/zinc/32/08/56/545320856.db2.gz PICOYEMOEXOOLO-LLVKDONJSA-N 1 0 264.391 0.554 10 0 CCAERO CCCC[NH2+]Cc1cnn(CC)c1S(N)(=O)=O ZINC000675076462 545321020 /nfs/dbraw/zinc/32/10/20/545321020.db2.gz XHNLCMUYCMZAHD-UHFFFAOYSA-N 1 0 260.363 0.440 10 0 CCAERO Cn1cnc(C2=C[C@@H]([NH3+])CN(C(=O)OC(C)(C)C)C2)n1 ZINC000675078411 545321220 /nfs/dbraw/zinc/32/12/20/545321220.db2.gz PGYLIJWDNNJVFO-SNVBAGLBSA-N 1 0 279.344 0.777 10 0 CCAERO Cn1nc(Br)cc1C1=C[C@H]([NH3+])CNC1 ZINC000675078492 545321226 /nfs/dbraw/zinc/32/12/26/545321226.db2.gz QDDSFIABDHFPLJ-ZETCQYMHSA-N 1 0 257.135 0.497 10 0 CCAERO CC(C)C[C@H](NC(=O)C1C[NH2+]C1)C(=O)Nc1nccs1 ZINC000262265912 535318380 /nfs/dbraw/zinc/31/83/80/535318380.db2.gz RYNLUYVCOUTRCB-JTQLQIEISA-N 1 0 296.396 0.832 10 0 CCAERO CC1(C)CN(C(=O)[C@@H]2CSC(=O)N2)CC[C@H]1[NH3+] ZINC000261784965 535345069 /nfs/dbraw/zinc/34/50/69/535345069.db2.gz GHNPYVHDNREQIT-JGVFFNPUSA-N 1 0 257.359 0.397 10 0 CCAERO COC(=O)C[C@H](NC(=O)C1C[NH2+]C1)c1ccc(F)cc1 ZINC000263231836 536342510 /nfs/dbraw/zinc/34/25/10/536342510.db2.gz AWFZXSGSIOYBIZ-LBPRGKRZSA-N 1 0 280.299 0.766 10 0 CCAERO C[N@H+](CCCN1C(=O)NC(C)(C)C1=O)CC1CC(O)C1 ZINC000190203131 536343277 /nfs/dbraw/zinc/34/32/77/536343277.db2.gz PPLVFIXRXAZKSH-UHFFFAOYSA-N 1 0 283.372 0.410 10 0 CCAERO C[NH2+][C@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)c1cnn(C)c1 ZINC000262176606 536381201 /nfs/dbraw/zinc/38/12/01/536381201.db2.gz KOPQSFUEGALOME-FOGDFJRCSA-N 1 0 266.345 0.316 10 0 CCAERO C[NH2+][C@H](C)CNS(=O)(=O)c1ccc(F)c(F)c1F ZINC000261586141 536403459 /nfs/dbraw/zinc/40/34/59/536403459.db2.gz UDMVEPDTDHEDEY-ZCFIWIBFSA-N 1 0 282.287 0.990 10 0 CCAERO COC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000262373230 536664674 /nfs/dbraw/zinc/66/46/74/536664674.db2.gz WXVJNDAQAZYWPB-JOYOIKCWSA-N 1 0 291.351 0.356 10 0 CCAERO CO[C@@H]1C[C@@H](CO)[N@@H+]([C@H]2CCCN(C(C)C)C2=O)C1 ZINC000368488706 536786323 /nfs/dbraw/zinc/78/63/23/536786323.db2.gz SEJFIXNOIYFLTQ-XQQFMLRXSA-N 1 0 270.373 0.467 10 0 CCAERO COc1cc(CNC[C@H]2C[NH2+]C[C@@H]2O)cc2c1OCO2 ZINC000263219920 536801125 /nfs/dbraw/zinc/80/11/25/536801125.db2.gz LRUOSWDTXUNXKV-QWRGUYRKSA-N 1 0 280.324 0.094 10 0 CCAERO COc1cc(CNC[C@H]2C[NH2+]C[C@H]2O)cc2c1OCCO2 ZINC000263198679 536801452 /nfs/dbraw/zinc/80/14/52/536801452.db2.gz ISLSMAKMKKIDLI-NWDGAFQWSA-N 1 0 294.351 0.136 10 0 CCAERO C[C@@H](C(=O)N1CCN(C2C[NH2+]C2)CC1)C(C)(C)C ZINC000399063423 570305215 /nfs/dbraw/zinc/30/52/15/570305215.db2.gz DKWPBSOOHOQCFC-NSHDSACASA-N 1 0 253.390 0.785 10 0 CCAERO Cc1ncccc1C[N@@H+]1CCC[C@](O)(c2cn[nH]n2)C1 ZINC000794011401 581329234 /nfs/dbraw/zinc/32/92/34/581329234.db2.gz ZQQVMUXIRWCKPB-CQSZACIVSA-N 1 0 273.340 0.992 10 0 CCAERO CC1(C)CC2(CCO[C@@H]2CS(N)(=O)=O)CC(C)(C)[NH2+]1 ZINC000757209982 581687676 /nfs/dbraw/zinc/68/76/76/581687676.db2.gz JYWJWAITSHMVEZ-SNVBAGLBSA-N 1 0 290.429 0.991 10 0 CCAERO C/C=C/[C@@H](O)C(=O)N1C[C@@H](OC)C[C@H]1C[NH+]1CCCC1 ZINC000908116574 613186827 /nfs/dbraw/zinc/18/68/27/613186827.db2.gz VBFGBDURLCQFRG-GKODAQOPSA-N 1 0 282.384 0.635 10 0 CCAERO C(C[N@@H+]1CC[C@H](N2CCOCC2)C1)C1OCCO1 ZINC000124440914 613226835 /nfs/dbraw/zinc/22/68/35/613226835.db2.gz NMVRMIQUOURUOH-LBPRGKRZSA-N 1 0 256.346 0.156 10 0 CCAERO CC(C)(C(=O)N[C@@H]1CCOC[C@@H]1O)[NH+]1CCCCC1 ZINC000913172956 614301106 /nfs/dbraw/zinc/30/11/06/614301106.db2.gz VUIAILDWDPXKCE-NEPJUHHUSA-N 1 0 270.373 0.517 10 0 CCAERO CCCc1nc(CN2CCNC(=O)CC23C[NH2+]C3)cs1 ZINC000903774431 614493172 /nfs/dbraw/zinc/49/31/72/614493172.db2.gz IGHUHESGVUXWQO-UHFFFAOYSA-N 1 0 294.424 0.760 10 0 CCAERO C[NH+](C)C[C@H]1CN(Cn2c3ccccc3oc2=O)CCO1 ZINC000152976187 615947538 /nfs/dbraw/zinc/94/75/38/615947538.db2.gz IRIUXZVPFOFRLC-LBPRGKRZSA-N 1 0 291.351 0.814 10 0 CCAERO C[NH+](C)[C@H]1CCN(C(=O)NCC[S@@](=O)C(C)(C)C)C1 ZINC000120265094 615993764 /nfs/dbraw/zinc/99/37/64/615993764.db2.gz ODISDFDQLCEJRM-WLRWDXFRSA-N 1 0 289.445 0.879 10 0 CCAERO CC[S@](=O)CC[NH2+]C[C@H](O)COCc1ccco1 ZINC000132821932 616016732 /nfs/dbraw/zinc/01/67/32/616016732.db2.gz JJDRORKLLSFSCS-BBATYDOGSA-N 1 0 275.370 0.515 10 0 CCAERO C[N@@H+]1CC[C@@](N)(c2nc(-c3ccc4c(c3)CC(=O)N4)no2)C1 ZINC000888078063 616348559 /nfs/dbraw/zinc/34/85/59/616348559.db2.gz JXYIXWGIEZEKAW-HNNXBMFYSA-N 1 0 299.334 0.721 10 0 CCAERO COC(=O)[C@H]1C[N@H+](CCn2ccccc2=O)C[C@@H]1C ZINC000149142640 616689078 /nfs/dbraw/zinc/68/90/78/616689078.db2.gz HAVQOAPQWHLAKD-RYUDHWBXSA-N 1 0 264.325 0.589 10 0 CCAERO COC(=O)N[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)C(C)C ZINC000108270522 616900234 /nfs/dbraw/zinc/90/02/34/616900234.db2.gz PXZQFOMFVFNUJJ-GHMZBOCLSA-N 1 0 271.361 0.530 10 0 CCAERO CCc1nnc(CN2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)n1C ZINC000178982227 623010011 /nfs/dbraw/zinc/01/00/11/623010011.db2.gz CUXXGLUEGHPYSH-BETUJISGSA-N 1 0 295.431 0.919 10 0 CCAERO C[C@@H]1C[NH2+]C[C@H]1c1nc([C@H]2CN3CCC[C@@H]3CO2)no1 ZINC000235274229 623135460 /nfs/dbraw/zinc/13/54/60/623135460.db2.gz DIBHEBFRMZMSFB-DDHJBXDOSA-N 1 0 278.356 0.928 10 0 CCAERO C[C@@H](O)C1CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000235316153 623204956 /nfs/dbraw/zinc/20/49/56/623204956.db2.gz METYZXWAZFCAIJ-ZYHUDNBSSA-N 1 0 276.402 0.161 10 0 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/nfs/dbraw/zinc/98/43/30/636984330.db2.gz DZNSZCKTDGPLSZ-ZLKJLUDKSA-N 1 0 299.392 0.891 10 0 CCAERO CCCCOC[C@H](O)C[NH2+]CCc1ccnn1C ZINC000227897703 637038527 /nfs/dbraw/zinc/03/85/27/637038527.db2.gz BSZRQAIQGKXXSR-CYBMUJFWSA-N 1 0 255.362 0.730 10 0 CCAERO CC[C@@H]1OCC[C@@H]1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000227905899 637040335 /nfs/dbraw/zinc/04/03/35/637040335.db2.gz XGTMGFPDSXZTDL-GMXVVIOVSA-N 1 0 258.362 0.230 10 0 CCAERO O=C1CCCN1C[C@@H](O)C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000171884087 637151858 /nfs/dbraw/zinc/15/18/58/637151858.db2.gz ZYNJWPHQYPJPMD-STQMWFEESA-N 1 0 298.383 0.055 10 0 CCAERO NC(=O)[C@H](CCn1cc(Br)cn1)[NH2+]C1CC1 ZINC000062536321 637173334 /nfs/dbraw/zinc/17/33/34/637173334.db2.gz DCRWDXRDLVNNQC-VIFPVBQESA-N 1 0 287.161 0.642 10 0 CCAERO OCc1cc(N2CC[C@@H](N3CCOCC3)C2)cc[nH+]1 ZINC000062982153 637191421 /nfs/dbraw/zinc/19/14/21/637191421.db2.gz BTYAAVHXSQNJSI-CQSZACIVSA-N 1 0 263.341 0.485 10 0 CCAERO CO[C@H](c1noc(-c2cn(CC[NH3+])nn2)n1)C1CC1 ZINC000227329762 637684777 /nfs/dbraw/zinc/68/47/77/637684777.db2.gz YBMVDRKZALTXHT-VIFPVBQESA-N 1 0 264.289 0.384 10 0 CCAERO Cc1nn(CN2CC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000183325885 638542512 /nfs/dbraw/zinc/54/25/12/638542512.db2.gz BWSJMERDZARQFT-JTQLQIEISA-N 1 0 253.306 0.693 10 0 CCAERO Cc1n[nH]cc1S(=O)(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000083551063 638854340 /nfs/dbraw/zinc/85/43/40/638854340.db2.gz HGOCREGWKOVBJH-GXSJLCMTSA-N 1 0 284.385 0.575 10 0 CCAERO C[C@@H](O)C[N@@H+]1CCN(CCC2OCCO2)C[C@H]1C ZINC000124172700 646300972 /nfs/dbraw/zinc/30/09/72/646300972.db2.gz MKUAOYKHFMTUFV-VXGBXAGGSA-N 1 0 258.362 0.136 10 0 CCAERO C[C@@H]1C[C@@]([NH3+])(CC(N)=O)CN1C(=O)OC(C)(C)C ZINC000211671528 647325069 /nfs/dbraw/zinc/32/50/69/647325069.db2.gz MJMGJKCRSBOCAH-PRHODGIISA-N 1 0 257.334 0.589 10 0 CCAERO O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CC[NH+](C2CC2)CC1 ZINC000129112856 647326828 /nfs/dbraw/zinc/32/68/28/647326828.db2.gz ORNMTDBKUHRTBD-ZIAGYGMSSA-N 1 0 289.379 0.675 10 0 CCAERO 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O[C@@H]1C[NH2+]C[C@@H]1N1CCN(c2ccc(Cl)cc2)CC1 ZINC000104250827 185943944 /nfs/dbraw/zinc/94/39/44/185943944.db2.gz LSMXDOGWNPGALQ-UONOGXRCSA-N 1 0 281.787 0.795 10 0 CCAERO [NH3+][C@H]1CCCN(C[C@@H](O)c2ccc3c(c2)OCO3)C1 ZINC000070458348 348889965 /nfs/dbraw/zinc/88/99/65/348889965.db2.gz ISITWEODMHYNIL-NWDGAFQWSA-N 1 0 264.325 0.872 10 0 CCAERO COCc1noc(-c2ccc(N3CC[NH2+]CC3)nc2)n1 ZINC000070457770 348890315 /nfs/dbraw/zinc/89/03/15/348890315.db2.gz GIUUQEBRSAIZIH-UHFFFAOYSA-N 1 0 275.312 0.688 10 0 CCAERO Fc1ccc(-n2nncc2CN2CC[NH2+]CC2)cc1F ZINC000070460979 348890898 /nfs/dbraw/zinc/89/08/98/348890898.db2.gz MIRJPOUBVGSNRI-UHFFFAOYSA-N 1 0 279.294 0.951 10 0 CCAERO [NH3+]CCc1cc(F)c(N2CCS(=O)(=O)CC2)c(F)c1 ZINC000104256209 185946074 /nfs/dbraw/zinc/94/60/74/185946074.db2.gz YXVMHPSHOBYWOE-UHFFFAOYSA-N 1 0 290.335 0.701 10 0 CCAERO NC(=[NH2+])Cn1cc(I)cn1 ZINC000070677844 348895000 /nfs/dbraw/zinc/89/50/00/348895000.db2.gz AJNVMYXLOULSKX-UHFFFAOYSA-N 1 0 250.043 0.424 10 0 CCAERO 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LNJMNVMVSOADDL-VXGBXAGGSA-N 1 0 260.403 0.493 10 0 CCAERO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCC(C(F)(F)F)CC1 ZINC000088420988 349367882 /nfs/dbraw/zinc/36/78/82/349367882.db2.gz YCDXDXRTWMDHPT-BDAKNGLRSA-N 1 0 266.263 0.510 10 0 CCAERO O=C(Cn1ccccc1=O)N1CCC([NH+]2CCCC2)CC1 ZINC000121074846 350020806 /nfs/dbraw/zinc/02/08/06/350020806.db2.gz TYSPPLJNELPMSI-UHFFFAOYSA-N 1 0 289.379 0.935 10 0 CCAERO Cn1c2ccccc2nc1N1CCN(C)C[C@@H]1C[NH3+] ZINC000122795009 350068935 /nfs/dbraw/zinc/06/89/35/350068935.db2.gz XOONJXJFEHZKNG-NSHDSACASA-N 1 0 259.357 0.652 10 0 CCAERO c1ncn(C[C@@H]2CCC[N@@H+](CCC3OCCO3)C2)n1 ZINC000124317536 350095244 /nfs/dbraw/zinc/09/52/44/350095244.db2.gz MYXICKAFIFQNIX-GFCCVEGCSA-N 1 0 266.345 0.753 10 0 CCAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCCC(=O)N(C)C ZINC000126576263 350149367 /nfs/dbraw/zinc/14/93/67/350149367.db2.gz AUSKRELYAIOEKT-NSHDSACASA-N 1 0 272.393 0.494 10 0 CCAERO O=C(NC[C@H]1CN(C2CC2)CCO1)c1cnns1 ZINC000127593149 350172573 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186046746 /nfs/dbraw/zinc/04/67/46/186046746.db2.gz FRHWENGAVBNAKL-UHFFFAOYSA-N 1 0 296.415 0.640 10 0 CCAERO CCN(C)C(=O)CC[N@@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000130301978 350234088 /nfs/dbraw/zinc/23/40/88/350234088.db2.gz SPQJJJDSIIFNNU-LLVKDONJSA-N 1 0 256.346 0.740 10 0 CCAERO CC[NH+]1CCN(CCCNC(=O)[C@H]2CC[C@H](C)O2)CC1 ZINC000130973213 350256208 /nfs/dbraw/zinc/25/62/08/350256208.db2.gz HEIDWYFGYJQRSA-UONOGXRCSA-N 1 0 283.416 0.698 10 0 CCAERO CC(C)(C(=O)NCc1ccco1)N1CC[NH2+]CC1 ZINC000131186900 350265964 /nfs/dbraw/zinc/26/59/64/350265964.db2.gz MQZYHDXGPHXSFE-UHFFFAOYSA-N 1 0 251.330 0.580 10 0 CCAERO Cc1cnn([C@@H]2CCC[N@H+](CCOCCO)C2)c1 ZINC000132986101 350321490 /nfs/dbraw/zinc/32/14/90/350321490.db2.gz FMUOPWMDCZHMOL-CYBMUJFWSA-N 1 0 253.346 0.837 10 0 CCAERO COC(=O)C[C@H](C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000133538806 350338695 /nfs/dbraw/zinc/33/86/95/350338695.db2.gz FSGOANPDVDAUBA-QJPTWQEYSA-N 1 0 268.357 0.881 10 0 CCAERO CS[C@@H](C)CNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000134019324 350352065 /nfs/dbraw/zinc/35/20/65/350352065.db2.gz XEXWZVRNNLMQEH-WDEREUQCSA-N 1 0 275.418 0.710 10 0 CCAERO CCNC(=O)CC[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105799767 186071271 /nfs/dbraw/zinc/07/12/71/186071271.db2.gz FXFHGNREBNHSCG-UHFFFAOYSA-N 1 0 277.372 0.515 10 0 CCAERO CCOCC[N@@H+]1CCN(Cc2nccc(N)n2)C[C@@H]1CC ZINC000135050918 350383218 /nfs/dbraw/zinc/38/32/18/350383218.db2.gz ANMMYIGNUVDJDP-ZDUSSCGKSA-N 1 0 293.415 0.992 10 0 CCAERO COc1c(C[NH2+]C[C@H]2CCC[C@@H]2O)c(C)nn1C ZINC000135234870 350388606 /nfs/dbraw/zinc/38/86/06/350388606.db2.gz USUURXRUTLNIHX-PWSUYJOCSA-N 1 0 253.346 0.988 10 0 CCAERO CCCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000105871862 186080271 /nfs/dbraw/zinc/08/02/71/186080271.db2.gz UNAPLDFDVGMBEF-VXGBXAGGSA-N 1 0 279.388 0.877 10 0 CCAERO CCOCCCNC(=O)[C@H](C)[NH2+][C@H]1CCc2ncnn2C1 ZINC000105871908 186081065 /nfs/dbraw/zinc/08/10/65/186081065.db2.gz IFCKXNMJQOFBCN-RYUDHWBXSA-N 1 0 295.387 0.114 10 0 CCAERO 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CCC[C@@H](C)NC(=O)[C@H](C)[NH2+]CCCS(C)(=O)=O ZINC000038048139 174058888 /nfs/dbraw/zinc/05/88/88/174058888.db2.gz JREGPVHQRNNDOF-MNOVXSKESA-N 1 0 278.418 0.704 10 0 CCAERO Cc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2COCCO2)c(=O)[nH]1 ZINC000038061170 174072561 /nfs/dbraw/zinc/07/25/61/174072561.db2.gz ZAZLBDXYYFLCRW-LDYMZIIASA-N 1 0 267.329 0.453 10 0 CCAERO O=S1(=O)CC[C@H](C[NH2+]CC2(O)CCCCC2)C1 ZINC000038083889 174093839 /nfs/dbraw/zinc/09/38/39/174093839.db2.gz YLNHMLJUPKQNDM-LLVKDONJSA-N 1 0 261.387 0.706 10 0 CCAERO C[NH2+]Cc1ccc(O[C@@H]2CCS(=O)(=O)C2)c(OC)c1 ZINC000038084520 174094186 /nfs/dbraw/zinc/09/41/86/174094186.db2.gz PXYNRINXVVRNAO-LLVKDONJSA-N 1 0 285.365 0.981 10 0 CCAERO O=S1(=O)CC[C@@H](C[NH2+]Cc2nccn2C(F)F)C1 ZINC000038084088 174094396 /nfs/dbraw/zinc/09/43/96/174094396.db2.gz BTBMKFGZRAYGBE-QMMMGPOBSA-N 1 0 279.312 0.803 10 0 CCAERO [NH3+]CCCN(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000038084713 174095279 /nfs/dbraw/zinc/09/52/79/174095279.db2.gz LRIVVVMENXSHFC-LBPRGKRZSA-N 1 0 260.403 0.767 10 0 CCAERO C[C@H](c1cccc(-n2cnnn2)c1)N1CC[NH2+]CC1 ZINC000038086716 174097830 /nfs/dbraw/zinc/09/78/30/174097830.db2.gz HDBOXDGFZNCHLK-LLVKDONJSA-N 1 0 258.329 0.629 10 0 CCAERO COc1ncnc(OC)c1CNC[C@@H](C)[NH+](C)C ZINC000038087726 174099448 /nfs/dbraw/zinc/09/94/48/174099448.db2.gz KMXMKLDBHPUZRE-SECBINFHSA-N 1 0 254.334 0.534 10 0 CCAERO CCCNC(=O)[C@H](C)[NH2+]C1CCC(C(N)=O)CC1 ZINC000038091904 174105438 /nfs/dbraw/zinc/10/54/38/174105438.db2.gz SZYSXGABFVJSKT-WHXUTIOJSA-N 1 0 255.362 0.535 10 0 CCAERO C[C@H]([NH2+]C1CCC(C(N)=O)CC1)C(=O)N1CCCC1 ZINC000038092040 174105922 /nfs/dbraw/zinc/10/59/22/174105922.db2.gz MHNPAIAXSMHLJK-UNXYVOJBSA-N 1 0 267.373 0.631 10 0 CCAERO CCOC(=O)CN(C(=O)[C@@H]1CCC[NH2+]C1)C(C)C ZINC000038101169 174116033 /nfs/dbraw/zinc/11/60/33/174116033.db2.gz ZAFRGEYLEGUVCE-LLVKDONJSA-N 1 0 256.346 0.786 10 0 CCAERO CCOC(=O)CN(C(=O)[C@@](C)([NH3+])C1CC1)C(C)C ZINC000038101236 174117084 /nfs/dbraw/zinc/11/70/84/174117084.db2.gz UGSBBKRKKZPOBK-ZDUSSCGKSA-N 1 0 256.346 0.914 10 0 CCAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CSC(=O)N1 ZINC000040740669 174390436 /nfs/dbraw/zinc/39/04/36/174390436.db2.gz VCCWTIPFUZXVHG-CUIKDFOKSA-N 1 0 255.343 0.211 10 0 CCAERO CN(CC[NH3+])S(=O)(=O)c1c(F)cc(F)cc1F ZINC000041160257 174501901 /nfs/dbraw/zinc/50/19/01/174501901.db2.gz HVLBSZUMJAUMAT-UHFFFAOYSA-N 1 0 268.260 0.683 10 0 CCAERO C[C@H](CC(=O)N[C@@H]1CCNC1=O)[C@@H]1CCC[NH2+]C1 ZINC000662587164 414730348 /nfs/dbraw/zinc/73/03/48/414730348.db2.gz XPFQCBZGFKHWBT-GMTAPVOTSA-N 1 0 253.346 0.017 10 0 CCAERO COC[C@@H](CCNC(=O)[C@]1(C)CCCC[NH2+]1)OC ZINC000662618206 414733183 /nfs/dbraw/zinc/73/31/83/414733183.db2.gz VWLDVYZSZVMEKD-YPMHNXCESA-N 1 0 258.362 0.686 10 0 CCAERO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC(F)(F)CN2)C1 ZINC000662622795 414733825 /nfs/dbraw/zinc/73/38/25/414733825.db2.gz UBRXDGHGPBDDDM-ZJUUUORDSA-N 1 0 275.343 0.973 10 0 CCAERO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(F)(F)CN2)C1 ZINC000662622791 414733855 /nfs/dbraw/zinc/73/38/55/414733855.db2.gz UBRXDGHGPBDDDM-VHSXEESVSA-N 1 0 275.343 0.973 10 0 CCAERO CN1C[C@@H](CNC(=O)C2(C[NH3+])CCCC2)CC1=O ZINC000662695727 414742593 /nfs/dbraw/zinc/74/25/93/414742593.db2.gz PGNNNVOQXPSRBD-SNVBAGLBSA-N 1 0 253.346 0.100 10 0 CCAERO O=C([C@@H]1CNC(=O)C1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662843294 414836950 /nfs/dbraw/zinc/83/69/50/414836950.db2.gz RUBIBVHJMFEWHW-STQMWFEESA-N 1 0 279.384 0.361 10 0 CCAERO CN(C(=O)c1csnn1)[C@@H](C[NH3+])C(F)(F)F ZINC000662977560 414931398 /nfs/dbraw/zinc/93/13/98/414931398.db2.gz LGQGWKYBKBFQLY-YFKPBYRVSA-N 1 0 254.237 0.500 10 0 CCAERO CC(NC(=O)[C@H]1C[NH2+]CCOC1)(C1CC1)C1CC1 ZINC000662914794 414889103 /nfs/dbraw/zinc/88/91/03/414889103.db2.gz GKZDRKJPGKYNQM-JTQLQIEISA-N 1 0 252.358 0.917 10 0 CCAERO CO[C@@H](CNC(=O)[C@H]1C[NH2+]CCOC1)C1CCCC1 ZINC000662922827 414895289 /nfs/dbraw/zinc/89/52/89/414895289.db2.gz YVPSAFJFADTARZ-STQMWFEESA-N 1 0 270.373 0.544 10 0 CCAERO COC[C@]1(C(=O)N2CCCc3n[nH]cc3C2)CCC[NH2+]1 ZINC000663019124 414952196 /nfs/dbraw/zinc/95/21/96/414952196.db2.gz HUKOUCMXNHKVTB-AWEZNQCLSA-N 1 0 278.356 0.453 10 0 CCAERO CC(=O)N1CCCN(C(=O)[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000042681634 174836509 /nfs/dbraw/zinc/83/65/09/174836509.db2.gz HVCUZUQKEVDZRD-WCQYABFASA-N 1 0 267.373 0.455 10 0 CCAERO C[C@H]([NH3+])[C@@H](c1ccccc1)N1CCS(=O)(=O)CC1 ZINC000042901489 174905762 /nfs/dbraw/zinc/90/57/62/174905762.db2.gz VQKJNLQEHXUJQO-AAEUAGOBSA-N 1 0 268.382 0.805 10 0 CCAERO CCC[NH2+][C@](C)(CN(C)C[C@@H]1CC[N@H+](C)C1)C(=O)[O-] ZINC000071190869 176068204 /nfs/dbraw/zinc/06/82/04/176068204.db2.gz LCLTWYGQRWPAFQ-TZMCWYRMSA-N 1 0 271.405 0.713 10 0 CCAERO CNC(=O)[C@H]1CCCN1Cc1ccc(F)cc1C[NH3+] ZINC000071263417 176096706 /nfs/dbraw/zinc/09/67/06/176096706.db2.gz NLRRWHNDFUUVAE-CYBMUJFWSA-N 1 0 265.332 0.995 10 0 CCAERO NC(=O)[C@H]1CCC[N@H+](CCCn2ccc(N)n2)C1 ZINC000071351904 176135145 /nfs/dbraw/zinc/13/51/45/176135145.db2.gz JBDQRKYVQFAOCM-JTQLQIEISA-N 1 0 251.334 0.053 10 0 CCAERO CCN1C(=O)C[C@@H](NCC[N@H+](C)C2CCCC2)C1=O ZINC000071377185 176141974 /nfs/dbraw/zinc/14/19/74/176141974.db2.gz AXYWYOOXIPHELI-GFCCVEGCSA-N 1 0 267.373 0.598 10 0 CCAERO C[C@H]([NH3+])c1ccc(-n2cc(S(C)(=O)=O)cn2)nc1 ZINC000725242117 545873780 /nfs/dbraw/zinc/87/37/80/545873780.db2.gz GSIRGTKBAWSQEF-QMMMGPOBSA-N 1 0 266.326 0.691 10 0 CCAERO CS(=O)(=O)c1cnn(-c2nc(C[NH3+])cs2)c1 ZINC000725242394 545873328 /nfs/dbraw/zinc/87/33/28/545873328.db2.gz ZAEZUYWFVVWHEQ-UHFFFAOYSA-N 1 0 258.328 0.191 10 0 CCAERO CC(C)(C)OC(=O)[C@@]1(C[NH3+])CCCS(=O)(=O)C1 ZINC000725244994 545874629 /nfs/dbraw/zinc/87/46/29/545874629.db2.gz PFVNDBTVSFWBNX-LLVKDONJSA-N 1 0 263.359 0.482 10 0 CCAERO COCCNC(=O)N1CC[C@H]([NH3+])[C@@H](C(F)(F)F)CC1 ZINC000725262775 545883312 /nfs/dbraw/zinc/88/33/12/545883312.db2.gz OXZVVLLZLPDECJ-IUCAKERBSA-N 1 0 283.294 0.944 10 0 CCAERO CS(=O)(=O)N1CC[C@@H]2CC[C@]21[C@H]1CCC[NH2+]C1 ZINC000725263568 545883680 /nfs/dbraw/zinc/88/36/80/545883680.db2.gz RHNQOVWNVSPERD-SDDRHHMPSA-N 1 0 258.387 0.800 10 0 CCAERO CCOC(=O)c1nn(C2CC2)c(N)c1C1C[NH2+]C1 ZINC000725265492 545886653 /nfs/dbraw/zinc/88/66/53/545886653.db2.gz IBJNHNGZYGEOSE-UHFFFAOYSA-N 1 0 250.302 0.664 10 0 CCAERO CCC(C)(C)NC(=O)N[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC000725271672 545887912 /nfs/dbraw/zinc/88/79/12/545887912.db2.gz AOPBNCRTSMQOAH-VIFPVBQESA-N 1 0 268.361 0.047 10 0 CCAERO C[C@@H](C(=O)N[C@H]1CC(=O)N(C2C[NH2+]C2)C1)C(C)(C)C ZINC000725273162 545889080 /nfs/dbraw/zinc/88/90/80/545889080.db2.gz WIELXYKRBZZHMR-UWVGGRQHSA-N 1 0 267.373 0.358 10 0 CCAERO COC(=O)C1CCN([C@H]2COC[C@H]2C[NH+](C)C)CC1 ZINC000725273968 545889555 /nfs/dbraw/zinc/88/95/55/545889555.db2.gz ZKTDQMQAKCBNIO-OLZOCXBDSA-N 1 0 270.373 0.448 10 0 CCAERO COC(=O)[C@@H]1CCCN([C@@H]2COC[C@@H]2C[NH+](C)C)C1 ZINC000725273851 545889566 /nfs/dbraw/zinc/88/95/66/545889566.db2.gz NCLBYKCDGURWTI-FRRDWIJNSA-N 1 0 270.373 0.448 10 0 CCAERO C[C@@H]([NH2+]CCC(N)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000025695015 544420014 /nfs/dbraw/zinc/42/00/14/544420014.db2.gz AXDUVVMNEUHOFL-SECBINFHSA-N 1 0 270.354 0.616 10 0 CCAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000054072682 544441254 /nfs/dbraw/zinc/44/12/54/544441254.db2.gz QQFWLENWTRJXRG-JGVFFNPUSA-N 1 0 262.313 0.641 10 0 CCAERO CNC(=O)[C@@H]1CCCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054291799 544443092 /nfs/dbraw/zinc/44/30/92/544443092.db2.gz JCHUXONJBZHULK-MNOVXSKESA-N 1 0 253.346 0.113 10 0 CCAERO CS(=O)(=O)N1CCC([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000087247337 544499068 /nfs/dbraw/zinc/49/90/68/544499068.db2.gz HCPJUXWSWNAQDO-LBPRGKRZSA-N 1 0 276.402 0.569 10 0 CCAERO CC(C)(CNC(=O)[C@H]1CC[C@H]([NH3+])C1)S(C)(=O)=O ZINC000093526188 544541808 /nfs/dbraw/zinc/54/18/08/544541808.db2.gz DJUIIYHMFSWCND-IUCAKERBSA-N 1 0 262.375 0.053 10 0 CCAERO O=C(NC[C@@H]1CCC[C@@H]1O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000089170078 544513506 /nfs/dbraw/zinc/51/35/06/544513506.db2.gz LAAMVXGWYRDBEX-QXEWZRGKSA-N 1 0 280.290 0.806 10 0 CCAERO CS(=O)(=O)c1ccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])cn1 ZINC000089451687 544513579 /nfs/dbraw/zinc/51/35/79/544513579.db2.gz YQPHYEUZBNUVDS-ONGXEEELSA-N 1 0 297.380 0.799 10 0 CCAERO CN(C)C(=O)N1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089457382 544514859 /nfs/dbraw/zinc/51/48/59/544514859.db2.gz CWVTZHLZNLUUFF-NWDGAFQWSA-N 1 0 282.388 0.187 10 0 CCAERO [NH3+]CCc1nc(C(=O)N[C@H]2CCC[C@@H](O)C2)cs1 ZINC000090947677 544524750 /nfs/dbraw/zinc/52/47/50/544524750.db2.gz MMUAKPLFIUFBKQ-DTWKUNHWSA-N 1 0 269.370 0.678 10 0 CCAERO CC[C@@H]1CN(C(=O)NCC2(C)COC2)CC[N@@H+]1CCOC ZINC000117496732 544565822 /nfs/dbraw/zinc/56/58/22/544565822.db2.gz HRLBSORNGZONQO-CYBMUJFWSA-N 1 0 299.415 0.775 10 0 CCAERO CC(C)NC(=O)CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000135362155 544634584 /nfs/dbraw/zinc/63/45/84/544634584.db2.gz QCOSWJBUBQJIBT-GHMZBOCLSA-N 1 0 255.362 0.392 10 0 CCAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCC(=O)N1CCCCC1 ZINC000135362894 544635588 /nfs/dbraw/zinc/63/55/88/544635588.db2.gz WWMWBDNJYHLIPA-NEPJUHHUSA-N 1 0 267.373 0.490 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000136460510 544639015 /nfs/dbraw/zinc/63/90/15/544639015.db2.gz AWCQUGDNKCDNDF-STQMWFEESA-N 1 0 269.389 0.293 10 0 CCAERO [NH3+]CC1(C(=O)N[C@H]2CCC[C@H](O)C2)CCOCC1 ZINC000138161146 544642418 /nfs/dbraw/zinc/64/24/18/544642418.db2.gz JBYMNJYTFIXEDG-QWRGUYRKSA-N 1 0 256.346 0.162 10 0 CCAERO C[C@@H](O)CN1CCN(C(=O)c2ccc(C[NH3+])o2)C[C@@H]1C ZINC000167985742 544729157 /nfs/dbraw/zinc/72/91/57/544729157.db2.gz ISRMJIAXYWEKDA-WDEREUQCSA-N 1 0 281.356 0.265 10 0 CCAERO CCN1CCO[C@H](C[NH2+]C2CCN(C(=O)N(C)C)CC2)C1 ZINC000163844197 544716248 /nfs/dbraw/zinc/71/62/48/544716248.db2.gz LVDOKCWPMGNGPI-CQSZACIVSA-N 1 0 298.431 0.443 10 0 CCAERO C[C@@H](CN1CCOCC1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000180688181 544755353 /nfs/dbraw/zinc/75/53/53/544755353.db2.gz VUNVRHNLSGKFQH-GJZGRUSLSA-N 1 0 283.416 0.114 10 0 CCAERO C[C@H](NC[C@@H](O)C[NH+]1CCCCC1)c1nccn1C ZINC000182568274 544764552 /nfs/dbraw/zinc/76/45/52/544764552.db2.gz MPILKVYNUQZRHR-QWHCGFSZSA-N 1 0 266.389 0.918 10 0 CCAERO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CC(=O)NC1CC1)[C@@H]1CCCO1 ZINC000183124034 544765600 /nfs/dbraw/zinc/76/56/00/544765600.db2.gz BUVBUQJMNHQFMO-MDZLAQPJSA-N 1 0 297.399 0.269 10 0 CCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCC(=O)N1C ZINC000187375088 544781141 /nfs/dbraw/zinc/78/11/41/544781141.db2.gz RVPAHQHBFAFNNE-NEPJUHHUSA-N 1 0 269.389 0.700 10 0 CCAERO CCn1cnnc1CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000227432547 544834427 /nfs/dbraw/zinc/83/44/27/544834427.db2.gz UTKYGYRBPKDOHL-UWVGGRQHSA-N 1 0 251.334 0.289 10 0 CCAERO C[C@@H]1OCC[C@H]1NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000226458459 544829614 /nfs/dbraw/zinc/82/96/14/544829614.db2.gz FEIRCMWSWYQRSI-QXFUBDJGSA-N 1 0 266.263 0.822 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)NCC(=O)N1CCCCC1 ZINC000228822665 544845748 /nfs/dbraw/zinc/84/57/48/544845748.db2.gz MCFAFUCOWHFCKS-LLVKDONJSA-N 1 0 255.362 0.489 10 0 CCAERO CCN1CCO[C@H](CNCc2cn(C(C)(C)C)nn2)C1 ZINC000233471086 544865715 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ZINC000104197693 349711372 /nfs/dbraw/zinc/71/13/72/349711372.db2.gz OAPWCHUDVHTOPD-CYBMUJFWSA-N 1 0 281.400 0.990 10 0 CCAERO C[NH+](C)C[C@H](NC(=O)c1cn[nH]n1)c1ccccc1 ZINC000108286406 349742821 /nfs/dbraw/zinc/74/28/21/349742821.db2.gz PUBHFJFARZHMAO-LBPRGKRZSA-N 1 0 259.313 0.837 10 0 CCAERO Cc1nc(C)n(C[C@H]2CCC[N@H+](CCCO)C2)n1 ZINC000105919796 349729282 /nfs/dbraw/zinc/72/92/82/349729282.db2.gz DLCKDLNAHFPLGF-ZDUSSCGKSA-N 1 0 252.362 0.989 10 0 CCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCCc2c1cnn2C ZINC000111266794 349767827 /nfs/dbraw/zinc/76/78/27/349767827.db2.gz OISSHIYCNPBXAU-CKYFFXLPSA-N 1 0 262.357 0.769 10 0 CCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(NS(C)(=O)=O)cc1 ZINC000111266396 349767812 /nfs/dbraw/zinc/76/78/12/349767812.db2.gz YPKDTAOBJDWHAK-BXKDBHETSA-N 1 0 297.380 0.852 10 0 CCAERO COC(=O)[C@@H]1CCC[N@H+](CCn2ccccc2=O)C1 ZINC000112336931 349779281 /nfs/dbraw/zinc/77/92/81/349779281.db2.gz HCYQTQFZTZBAPV-GFCCVEGCSA-N 1 0 264.325 0.733 10 0 CCAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCO[C@]3(CCOC3)C2)C1 ZINC000342032672 282218366 /nfs/dbraw/zinc/21/83/66/282218366.db2.gz AFCYBVQSJCFFTC-GZBFAFLISA-N 1 0 297.399 0.670 10 0 CCAERO COC(=O)CCCCN1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000600887673 362088952 /nfs/dbraw/zinc/08/89/52/362088952.db2.gz XLYKUJLCCYXMIA-WCQYABFASA-N 1 0 258.362 0.768 10 0 CCAERO COC[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000112985846 349798137 /nfs/dbraw/zinc/79/81/37/349798137.db2.gz HZIGYFCJFBESIY-OLZOCXBDSA-N 1 0 297.399 0.069 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cc2c(s1)CCCC2 ZINC000262082499 295692044 /nfs/dbraw/zinc/69/20/44/295692044.db2.gz CNUMNDCRMYODMI-MNOVXSKESA-N 1 0 280.393 0.937 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1cnn(C)c1 ZINC000113227238 349805822 /nfs/dbraw/zinc/80/58/22/349805822.db2.gz JDVYLZJJRSBYFP-WCQYABFASA-N 1 0 262.357 0.658 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N1CCOCC1 ZINC000113268726 349806855 /nfs/dbraw/zinc/80/68/55/349806855.db2.gz ITKJKKPHJUQJJB-CHWSQXEVSA-N 1 0 267.373 0.014 10 0 CCAERO CN1CCCN(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1=O ZINC000188375091 282257704 /nfs/dbraw/zinc/25/77/04/282257704.db2.gz KPTOJZMPKBPGCS-OLZOCXBDSA-N 1 0 296.415 0.733 10 0 CCAERO Cc1cnc(N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)nc1C ZINC000133564748 136391125 /nfs/dbraw/zinc/39/11/25/136391125.db2.gz NCIOCIHKUVOOCZ-VXGBXAGGSA-N 1 0 264.373 0.985 10 0 CCAERO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCC(=O)N2CCCC2)C1 ZINC000175682478 231773028 /nfs/dbraw/zinc/77/30/28/231773028.db2.gz IMSCLNOQNDAQRG-CHWSQXEVSA-N 1 0 296.415 0.781 10 0 CCAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCCn1cccn1 ZINC000114926859 349846000 /nfs/dbraw/zinc/84/60/00/349846000.db2.gz ACDQXOBZSQBALB-LBPRGKRZSA-N 1 0 267.377 0.913 10 0 CCAERO C[NH+](C)C[C@H]1CN(C(=O)COc2ccccc2)CCO1 ZINC000116784501 349872392 /nfs/dbraw/zinc/87/23/92/349872392.db2.gz GEMGFEADCZBVIZ-AWEZNQCLSA-N 1 0 278.352 0.854 10 0 CCAERO CCOCCO[C@H](C)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116790755 349872808 /nfs/dbraw/zinc/87/28/08/349872808.db2.gz GZFOYWWSGGNSKJ-OLZOCXBDSA-N 1 0 288.388 0.217 10 0 CCAERO COc1ccc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)c(O)c1 ZINC000116978292 349878886 /nfs/dbraw/zinc/87/88/86/349878886.db2.gz JVILXPLUKYCOEJ-GFCCVEGCSA-N 1 0 294.351 0.803 10 0 CCAERO CC[C@H]1CN(C(=O)c2ccc(=O)[nH]c2)CC[N@@H+]1CCOC ZINC000117301416 349884509 /nfs/dbraw/zinc/88/45/09/349884509.db2.gz RPNGWMGNOINQRP-ZDUSSCGKSA-N 1 0 293.367 0.970 10 0 CCAERO C[NH2+]C[C@H]1COc2c(F)cc(S(C)(=O)=O)cc2O1 ZINC000117416317 349885779 /nfs/dbraw/zinc/88/57/79/349885779.db2.gz CCAIFRVSMWLNEE-ZETCQYMHSA-N 1 0 275.301 0.588 10 0 CCAERO CC[C@H]1CN(C(=O)Nc2ccn(C)n2)CC[N@@H+]1CCOC ZINC000117452393 349885996 /nfs/dbraw/zinc/88/59/96/349885996.db2.gz PZGPQODHZQZEFG-LBPRGKRZSA-N 1 0 295.387 0.995 10 0 CCAERO CCOCCN1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC000117280543 349882342 /nfs/dbraw/zinc/88/23/42/349882342.db2.gz YJXXZPJDBHFMDE-AWEZNQCLSA-N 1 0 285.432 0.896 10 0 CCAERO Cc1cnn(CCNC(=O)NCC[N@@H+](C)C(C)C)c1 ZINC000118069543 349897116 /nfs/dbraw/zinc/89/71/16/349897116.db2.gz HADDMVSQJFFWOU-UHFFFAOYSA-N 1 0 267.377 0.831 10 0 CCAERO C[C@H]1CC[C@H](C(=O)NCCN2CCC([NH+](C)C)CC2)O1 ZINC000119297594 349927950 /nfs/dbraw/zinc/92/79/50/349927950.db2.gz HFBRHJOGPCWEIO-GXTWGEPZSA-N 1 0 283.416 0.696 10 0 CCAERO C[C@@H]1C[N@H+](Cc2cccnc2N)C[C@H]1N1CCOCC1 ZINC000295119132 199355476 /nfs/dbraw/zinc/35/54/76/199355476.db2.gz WNUUQKGROHQLDA-TZMCWYRMSA-N 1 0 276.384 0.816 10 0 CCAERO Cc1noc2ncnc(N3CCO[C@H](C[NH+](C)C)C3)c12 ZINC000192451653 282422397 /nfs/dbraw/zinc/42/23/97/282422397.db2.gz WAPCAPFJDWZZHZ-SNVBAGLBSA-N 1 0 277.328 0.693 10 0 CCAERO CC[C@@H]1CN(C(=O)[C@@H]2CCCO2)CC[N@@H+]1C[C@@H](C)O ZINC000119662187 349946756 /nfs/dbraw/zinc/94/67/56/349946756.db2.gz JBLHOIKGZSEPLT-UPJWGTAASA-N 1 0 270.373 0.469 10 0 CCAERO CCc1nn(C)cc1CNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000127619973 187320171 /nfs/dbraw/zinc/32/01/71/187320171.db2.gz IESQAZIADDJDQZ-GXFFZTMASA-N 1 0 264.373 0.987 10 0 CCAERO O=C(c1cn2ccccc2n1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000374599911 232592855 /nfs/dbraw/zinc/59/28/55/232592855.db2.gz CAWSYLUPGKNQBF-NEPJUHHUSA-N 1 0 272.308 0.147 10 0 CCAERO C[C@H](NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)C(=O)N(C)C ZINC000172248447 299139876 /nfs/dbraw/zinc/13/98/76/299139876.db2.gz ANMCZBHWVKBOBC-SDDRHHMPSA-N 1 0 282.388 0.341 10 0 CCAERO C[C@@H](NC(=O)[C@H]1CCC[NH2+]1)c1ccc2c(c1)NC(=O)CO2 ZINC000078784263 136787571 /nfs/dbraw/zinc/78/75/71/136787571.db2.gz HZIKXOGSLVBHLA-MWLCHTKSSA-N 1 0 289.335 0.947 10 0 CCAERO CCN(CC)C(=O)N1CCN(C(=O)[C@H]2CCC[C@H]2[NH3+])CC1 ZINC000085369003 136794152 /nfs/dbraw/zinc/79/41/52/136794152.db2.gz IYNXOBANJACTMB-QWHCGFSZSA-N 1 0 296.415 0.720 10 0 CCAERO NC(=O)COc1ccc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000085362300 136794306 /nfs/dbraw/zinc/79/43/06/136794306.db2.gz KNYIXZGFYSLODL-VXGBXAGGSA-N 1 0 277.324 0.617 10 0 CCAERO NC(=O)COc1cccc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000085362859 136794307 /nfs/dbraw/zinc/79/43/07/136794307.db2.gz VRLQVWSAHSHYJX-RYUDHWBXSA-N 1 0 277.324 0.617 10 0 CCAERO C[C@H]([NH3+])[C@H](C)C(=O)N1CCCN(c2cccnn2)CC1 ZINC000192111753 136939934 /nfs/dbraw/zinc/93/99/34/136939934.db2.gz HQDHGVLCEHDNHY-RYUDHWBXSA-N 1 0 277.372 0.499 10 0 CCAERO CCOC(=O)NCC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000193521471 136944604 /nfs/dbraw/zinc/94/46/04/136944604.db2.gz XJXZOSOXJGIHBH-UHFFFAOYSA-N 1 0 283.372 0.819 10 0 CCAERO O=S(=O)(NC[C@H]1CCC[NH2+]C1)[C@H]1CCCOC1 ZINC000261666407 137015075 /nfs/dbraw/zinc/01/50/75/137015075.db2.gz JVKVRECMEJDMCC-QWRGUYRKSA-N 1 0 262.375 0.084 10 0 CCAERO NC(=O)N1CCC[C@H](C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000249884474 137001009 /nfs/dbraw/zinc/00/10/09/137001009.db2.gz AWXRTSAMNAVTNV-QWHCGFSZSA-N 1 0 294.399 0.474 10 0 CCAERO COCCCS(=O)(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000252442031 137003230 /nfs/dbraw/zinc/00/32/30/137003230.db2.gz GBWUSKPHCOPZNI-NSHDSACASA-N 1 0 262.375 0.133 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@@H]1COCCO1 ZINC000252692663 137003912 /nfs/dbraw/zinc/00/39/12/137003912.db2.gz ARTKGPPVUNPSFT-HZSPNIEDSA-N 1 0 254.374 0.960 10 0 CCAERO C[NH2+][C@@H](C)CNC(=O)c1cnc2ccccn2c1=O ZINC000261684807 137015402 /nfs/dbraw/zinc/01/54/02/137015402.db2.gz HXVKYNYVALDVQQ-VIFPVBQESA-N 1 0 260.297 0.032 10 0 CCAERO CC1(C)CN(C(=O)CN2CCCC2=O)CC[C@H]1[NH3+] ZINC000261556975 137008171 /nfs/dbraw/zinc/00/81/71/137008171.db2.gz CJZZCJSDPIGPLQ-SNVBAGLBSA-N 1 0 253.346 0.195 10 0 CCAERO O=C(Cc1ccc(Cl)cc1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262343415 137039487 /nfs/dbraw/zinc/03/94/87/137039487.db2.gz TXKYDMDWOOATHC-JQWIXIFHSA-N 1 0 268.744 0.579 10 0 CCAERO CCOc1ccc(CC(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262353602 137039725 /nfs/dbraw/zinc/03/97/25/137039725.db2.gz UQDANXJAIFYHHV-TZMCWYRMSA-N 1 0 278.352 0.324 10 0 CCAERO O=C(CCOCc1ccccc1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262365922 137040112 /nfs/dbraw/zinc/04/01/12/137040112.db2.gz VRGHCBRMCCSDAE-KBPBESRZSA-N 1 0 278.352 0.290 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cccc(-n2ccnc2)c1 ZINC000262363499 137040260 /nfs/dbraw/zinc/04/02/60/137040260.db2.gz VITQTJSPDVFTRL-JSGCOSHPSA-N 1 0 286.335 0.182 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1c(F)cccc1F ZINC000262365787 137040353 /nfs/dbraw/zinc/04/03/53/137040353.db2.gz VPBNLDHZVFOYCJ-XCBNKYQSSA-N 1 0 256.252 0.275 10 0 CCAERO CCOc1ccccc1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262369969 137040560 /nfs/dbraw/zinc/04/05/60/137040560.db2.gz WAVVXZZLRAZCCZ-ZYHUDNBSSA-N 1 0 264.325 0.395 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cc(F)cc(Cl)c1 ZINC000262380830 137040940 /nfs/dbraw/zinc/04/09/40/137040940.db2.gz WZPIDEGBPDVVID-GZMMTYOYSA-N 1 0 272.707 0.789 10 0 CCAERO CCc1ccsc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262413404 137042429 /nfs/dbraw/zinc/04/24/29/137042429.db2.gz ZMMBABGVVWYDCQ-VHSXEESVSA-N 1 0 254.355 0.621 10 0 CCAERO Cn1nc(CC(C)(C)C)cc1NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262463153 137043993 /nfs/dbraw/zinc/04/39/93/137043993.db2.gz FZUNPBIKICIDLY-MNOVXSKESA-N 1 0 280.372 0.670 10 0 CCAERO 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JRCCVIOEWBZFGL-NWDGAFQWSA-N 1 0 255.362 0.901 10 0 CCAERO CCc1nnc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)nn21 ZINC000171939052 350944605 /nfs/dbraw/zinc/94/46/05/350944605.db2.gz BPOZJJHBDWQNFR-LLVKDONJSA-N 1 0 272.356 0.971 10 0 CCAERO C[C@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1N1CCOCC1 ZINC000173981622 351065489 /nfs/dbraw/zinc/06/54/89/351065489.db2.gz WANSDMQGXPPNET-WCQYABFASA-N 1 0 278.356 0.131 10 0 CCAERO CC[NH+]1CCC(CCNC(=O)CC(=O)N(C)C)CC1 ZINC000173279047 351034096 /nfs/dbraw/zinc/03/40/96/351034096.db2.gz RYHYHANYGANWGI-UHFFFAOYSA-N 1 0 269.389 0.703 10 0 CCAERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CC(=O)N(C)C ZINC000173964788 351064247 /nfs/dbraw/zinc/06/42/47/351064247.db2.gz UFEGOWSXGAKVEP-LLVKDONJSA-N 1 0 255.362 0.455 10 0 CCAERO FC(F)(F)COCC[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173954371 351064491 /nfs/dbraw/zinc/06/44/91/351064491.db2.gz AOXFTUCWMCZYLK-LLVKDONJSA-N 1 0 282.306 0.972 10 0 CCAERO C[NH+](C)C[C@H]1CN(C(=O)CC2(O)CCCCC2)CCO1 ZINC000174922060 351111118 /nfs/dbraw/zinc/11/11/18/351111118.db2.gz NVDWMILPSCIRCA-ZDUSSCGKSA-N 1 0 284.400 0.861 10 0 CCAERO CCNC(=O)CCCC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000174334112 351078981 /nfs/dbraw/zinc/07/89/81/351078981.db2.gz XJHZAEWEUPEFBS-CHWSQXEVSA-N 1 0 299.415 0.206 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCN1CCOCC1 ZINC000176368237 351171134 /nfs/dbraw/zinc/17/11/34/351171134.db2.gz AFCMURBAALVAPH-CQSZACIVSA-N 1 0 298.431 0.444 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)CS(C)(=O)=O ZINC000176993870 351189991 /nfs/dbraw/zinc/18/99/91/351189991.db2.gz MZCBPAORFDIETC-NWDGAFQWSA-N 1 0 290.429 0.610 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)N(C)CCOC ZINC000175392722 351128372 /nfs/dbraw/zinc/12/83/72/351128372.db2.gz PXDRNDXBNIDGMH-GFCCVEGCSA-N 1 0 293.433 0.226 10 0 CCAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O ZINC000175438061 351129913 /nfs/dbraw/zinc/12/99/13/351129913.db2.gz GSPPRMBRBUOTAQ-LBPRGKRZSA-N 1 0 263.341 0.151 10 0 CCAERO CCC[N@H+](CC)CCNC(=O)NC[C@H]1CN(C)CCO1 ZINC000175467202 351130783 /nfs/dbraw/zinc/13/07/83/351130783.db2.gz OEYLJKSKPYOBIF-ZDUSSCGKSA-N 1 0 286.420 0.348 10 0 CCAERO CC[C@H]1CN(CCOCCOC)CC[N@@H+]1CCOC ZINC000175646951 351138429 /nfs/dbraw/zinc/13/84/29/351138429.db2.gz FMEJIVIYKUUBKG-AWEZNQCLSA-N 1 0 274.405 0.692 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000177486459 351205572 /nfs/dbraw/zinc/20/55/72/351205572.db2.gz NASKXFWROHBFCH-UONOGXRCSA-N 1 0 298.431 0.443 10 0 CCAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C2CC(=O)C2)CC1 ZINC000180357946 351283477 /nfs/dbraw/zinc/28/34/77/351283477.db2.gz CQQNBSCSAJTXKY-NSHDSACASA-N 1 0 282.384 0.517 10 0 CCAERO COCC[N@@H+]1CCN([C@@H](C)CN2CCOCC2)C[C@H]1C ZINC000180477898 351287020 /nfs/dbraw/zinc/28/70/20/351287020.db2.gz SPROGRPFVNCDLW-LSDHHAIUSA-N 1 0 285.432 0.360 10 0 CCAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCCOC(N)=O ZINC000181184389 351305477 /nfs/dbraw/zinc/30/54/77/351305477.db2.gz WLYVNZYGVGPTFP-LBPRGKRZSA-N 1 0 279.340 0.371 10 0 CCAERO CC(C)COC(=O)CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000181453456 351321016 /nfs/dbraw/zinc/32/10/16/351321016.db2.gz NVYSZKQGYCFOSO-LBPRGKRZSA-N 1 0 258.362 0.448 10 0 CCAERO COCC[NH2+]CC(=O)N1CCCC[C@H]1c1nc[nH]n1 ZINC000183003621 351372544 /nfs/dbraw/zinc/37/25/44/351372544.db2.gz BVSZQINZQKRWEF-JTQLQIEISA-N 1 0 267.333 0.094 10 0 CCAERO CNc1nnc(CC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)s1 ZINC000183543127 351382609 /nfs/dbraw/zinc/38/26/09/351382609.db2.gz PMMBAEDJKXOYKG-JTQLQIEISA-N 1 0 295.412 0.819 10 0 CCAERO CC(C)[C@](C)(O)C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000184966582 351428973 /nfs/dbraw/zinc/42/89/73/351428973.db2.gz FXEWVNKLTYICGS-CQSZACIVSA-N 1 0 269.389 0.883 10 0 CCAERO CCOCCCNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000185215389 351438667 /nfs/dbraw/zinc/43/86/67/351438667.db2.gz FFUHHKMGBBVQSS-QWHCGFSZSA-N 1 0 287.404 0.510 10 0 CCAERO CS(=O)(=O)CCCC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186547653 351502700 /nfs/dbraw/zinc/50/27/00/351502700.db2.gz DZNMYFCRNFLJCM-LLVKDONJSA-N 1 0 288.413 0.554 10 0 CCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccon2)C1 ZINC000186169731 351480575 /nfs/dbraw/zinc/48/05/75/351480575.db2.gz LPCUOFQTGWWKAZ-ZJUUUORDSA-N 1 0 280.328 0.458 10 0 CCAERO CCN(C)C(=O)CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000186208571 351484803 /nfs/dbraw/zinc/48/48/03/351484803.db2.gz DQIKGCMUTBVFMF-LBPRGKRZSA-N 1 0 284.404 0.590 10 0 CCAERO C[C@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)[C@@H]1CCCO1 ZINC000188380729 351590625 /nfs/dbraw/zinc/59/06/25/351590625.db2.gz JXDIMPAVKNMMAC-KWQFWETISA-N 1 0 264.329 0.353 10 0 CCAERO O=C(NCCN1C(=O)Cc2ccccc21)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188422192 351594040 /nfs/dbraw/zinc/59/40/40/351594040.db2.gz MZVCOCFPUVCNNI-NWDGAFQWSA-N 1 0 291.326 0.392 10 0 CCAERO CN1CCCN([C@@H](C(N)=O)c2ccccc2)CC1=O ZINC000191112081 351747268 /nfs/dbraw/zinc/74/72/68/351747268.db2.gz VTEZZLZUPMAZPZ-CYBMUJFWSA-N 1 0 261.325 0.377 10 0 CCAERO COCC[N@@H+]1CCN(Cc2ncccn2)C[C@@H]1C ZINC000192001404 351781284 /nfs/dbraw/zinc/78/12/84/351781284.db2.gz YBAALMLVNCHKRT-LBPRGKRZSA-N 1 0 250.346 0.629 10 0 CCAERO CCC[C@H](C(=O)N[C@@H](C)C(=O)N(C)CC)[NH+](C)C ZINC000191576717 351764667 /nfs/dbraw/zinc/76/46/67/351764667.db2.gz KORYJZNAJUVINK-WDEREUQCSA-N 1 0 257.378 0.700 10 0 CCAERO CC[N@H+](CC(=O)N1CCC[C@H](C(N)=O)C1)C(C)C ZINC000194093733 351855825 /nfs/dbraw/zinc/85/58/25/351855825.db2.gz FVHFJGVKHZUHPD-NSHDSACASA-N 1 0 255.362 0.441 10 0 CCAERO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC000194228532 351861087 /nfs/dbraw/zinc/86/10/87/351861087.db2.gz CWWIBNWVHJBNPL-OLZOCXBDSA-N 1 0 281.400 0.988 10 0 CCAERO COc1c(C[NH2+]C[C@@]2(OC)CCOC2)c(C)nn1C ZINC000122884825 187057870 /nfs/dbraw/zinc/05/78/70/187057870.db2.gz RHLMLTLSCXKDSS-ZDUSSCGKSA-N 1 0 269.345 0.632 10 0 CCAERO CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H](C)N1CCOCC1 ZINC000123487384 187095160 /nfs/dbraw/zinc/09/51/60/187095160.db2.gz FKXZWNGKYZOAMY-KGLIPLIRSA-N 1 0 285.432 0.944 10 0 CCAERO CCOC(=O)CNC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000194533419 351873120 /nfs/dbraw/zinc/87/31/20/351873120.db2.gz BLRVGJVBXKHGTH-HUUCEWRRSA-N 1 0 292.379 0.775 10 0 CCAERO COc1cc(C)nc(C[NH2+]C[C@@H]2CN(C)CCO2)c1 ZINC000214077977 351932456 /nfs/dbraw/zinc/93/24/56/351932456.db2.gz DILLATSOWMKQBI-CQSZACIVSA-N 1 0 265.357 0.819 10 0 CCAERO O=C(CCn1cncn1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195068338 351895523 /nfs/dbraw/zinc/89/55/23/351895523.db2.gz BJXYASXNMCVCBO-LBPRGKRZSA-N 1 0 263.345 0.365 10 0 CCAERO CCn1cc(C2CC[NH+]([C@H](C)C(=O)NC(N)=O)CC2)cn1 ZINC000195500249 351915341 /nfs/dbraw/zinc/91/53/41/351915341.db2.gz OWXHKPBWWQXBRM-SNVBAGLBSA-N 1 0 293.371 0.666 10 0 CCAERO COc1c(C[NH2+][C@@H](C)[C@H](CO)SC)c(C)nn1C ZINC000219037582 351963606 /nfs/dbraw/zinc/96/36/06/351963606.db2.gz BTARAPHTWIDWFS-ONGXEEELSA-N 1 0 273.402 0.939 10 0 CCAERO O=C1c2ccccc2C(=O)N1CN1CCC[C@H]2C[NH2+]C[C@@H]21 ZINC000221814135 351979606 /nfs/dbraw/zinc/97/96/06/351979606.db2.gz IRHMWUZVJBMVDG-FZMZJTMJSA-N 1 0 285.347 0.924 10 0 CCAERO CCOC(=O)C[C@H](O)CN1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000228175006 352070357 /nfs/dbraw/zinc/07/03/57/352070357.db2.gz JWNABFZIVNPLPD-GRYCIOLGSA-N 1 0 258.362 0.182 10 0 CCAERO CCOC(=O)C[C@H](O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000226741263 352033336 /nfs/dbraw/zinc/03/33/36/352033336.db2.gz WPOBTVLVHLMFDL-IPYPFGDCSA-N 1 0 285.384 0.928 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnc(N)cn1 ZINC000228577026 352076789 /nfs/dbraw/zinc/07/67/89/352076789.db2.gz ASWKUKOACWLSCZ-VHSXEESVSA-N 1 0 261.329 0.368 10 0 CCAERO CNc1cnc(C(=O)N(C)C[C@H]2CC[N@H+](C)C2)cn1 ZINC000230105728 352103294 /nfs/dbraw/zinc/10/32/94/352103294.db2.gz LFIDZMGKBGUCGP-JTQLQIEISA-N 1 0 263.345 0.542 10 0 CCAERO CNc1cnc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000230111071 352103991 /nfs/dbraw/zinc/10/39/91/352103991.db2.gz NVKNNOCBAGPYPD-JTQLQIEISA-N 1 0 261.329 0.439 10 0 CCAERO C[C@H]1CN(Cc2nnnn2Cc2ccccc2)C[C@@H]1[NH3+] ZINC000235720440 352187734 /nfs/dbraw/zinc/18/77/34/352187734.db2.gz GBKZODHXNDELQN-AAEUAGOBSA-N 1 0 272.356 0.500 10 0 CCAERO COC(=O)c1ccc(NC(=O)[C@H]2COCCN2)cc1C ZINC000237244741 352255485 /nfs/dbraw/zinc/25/54/85/352255485.db2.gz JXJREJALDCYSJH-GFCCVEGCSA-N 1 0 278.308 0.709 10 0 CCAERO C[C@H](NC(=O)[C@@H]1COCCN1)C(C)(C)C[NH+](C)C ZINC000237462230 352265791 /nfs/dbraw/zinc/26/57/91/352265791.db2.gz KDJUOYDRGUYVRX-QWRGUYRKSA-N 1 0 257.378 0.067 10 0 CCAERO CCNC(=O)NC(=O)[C@@H](C)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000245481574 352325426 /nfs/dbraw/zinc/32/54/26/352325426.db2.gz YKINRRSBHBLFQE-VXGBXAGGSA-N 1 0 284.404 0.637 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ncn(C)n1 ZINC000245565237 352329525 /nfs/dbraw/zinc/32/95/25/352329525.db2.gz RMHCORABWKBJKM-MNOVXSKESA-N 1 0 278.360 0.193 10 0 CCAERO CCCNC(=O)C[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246485894 352369765 /nfs/dbraw/zinc/36/97/65/352369765.db2.gz PAPAPTZAQQFDDX-STQMWFEESA-N 1 0 269.389 0.165 10 0 CCAERO CN1CCO[C@H](CNC(=O)[C@H]2CSCCS2)C1 ZINC000246485810 352370079 /nfs/dbraw/zinc/37/00/79/352370079.db2.gz IABDJXJXLKMNJE-NXEZZACHSA-N 1 0 276.427 0.282 10 0 CCAERO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000246507653 352370844 /nfs/dbraw/zinc/37/08/44/352370844.db2.gz FHQBDZGAGPTJGR-TUAOUCFPSA-N 1 0 284.356 0.165 10 0 CCAERO COc1cccc(CN2CC[N@H+](C[C@H](C)O)[C@H](C)C2)n1 ZINC000246722285 352380649 /nfs/dbraw/zinc/38/06/49/352380649.db2.gz KLSCPUJCFZNJOC-OLZOCXBDSA-N 1 0 279.384 0.977 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCNC(=O)C1CC1 ZINC000247055295 352395993 /nfs/dbraw/zinc/39/59/93/352395993.db2.gz HDLHWSHTEWZFLI-AAEUAGOBSA-N 1 0 294.399 0.391 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CNC(=O)C(C)(C)C ZINC000247464408 352415923 /nfs/dbraw/zinc/41/59/23/352415923.db2.gz RCTOPBNEBUQPSG-RYUDHWBXSA-N 1 0 281.400 0.844 10 0 CCAERO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000247682565 352423895 /nfs/dbraw/zinc/42/38/95/352423895.db2.gz RUZVLUWNCQIGJA-MXWKQRLJSA-N 1 0 279.344 0.349 10 0 CCAERO CC(C)CO[C@H]1CC[N@H+](C[C@@H](O)CN2CCCC2=O)C1 ZINC000247791819 352426253 /nfs/dbraw/zinc/42/62/53/352426253.db2.gz ZEPSGBJVNNTWQS-KGLIPLIRSA-N 1 0 284.400 0.717 10 0 CCAERO O=C1CCCN1C[C@H](O)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247926959 352427283 /nfs/dbraw/zinc/42/72/83/352427283.db2.gz BQSYYKCDCXVCJB-LZWOXQAQSA-N 1 0 296.411 0.597 10 0 CCAERO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1)NC[C@H]1CCCO1 ZINC000247981685 352429233 /nfs/dbraw/zinc/42/92/33/352429233.db2.gz MYMAIBGBCFZSKN-SQWLQELKSA-N 1 0 296.411 0.909 10 0 CCAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3nccnc3N)CC[C@H]21 ZINC000248127609 352431449 /nfs/dbraw/zinc/43/14/49/352431449.db2.gz OCEORSAFRUJFGI-GHMZBOCLSA-N 1 0 275.356 0.615 10 0 CCAERO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCO[C@@H](C[NH+](C)C)C2)C1 ZINC000247226979 352404749 /nfs/dbraw/zinc/40/47/49/352404749.db2.gz QYBLCCBAAKQHNQ-ZNMIVQPWSA-N 1 0 297.443 0.753 10 0 CCAERO CC[C@@H]1CN(C(=O)[C@H]2CCOC2)CC[N@@H+]1CCOC ZINC000247274705 352407133 /nfs/dbraw/zinc/40/71/33/352407133.db2.gz ZVSCAWFLEIFZQR-QWHCGFSZSA-N 1 0 270.373 0.592 10 0 CCAERO C[NH+](C)C[C@H]1CN(C[C@@H](O)CC(F)(F)F)CCO1 ZINC000249260522 352483283 /nfs/dbraw/zinc/48/32/83/352483283.db2.gz HUWRABUMYNMBNL-UWVGGRQHSA-N 1 0 270.295 0.562 10 0 CCAERO C[C@]1(C(=O)N2CCN3CCCC[C@H]3C2)CCC[NH2+]1 ZINC000250799283 352507637 /nfs/dbraw/zinc/50/76/37/352507637.db2.gz NVIKWDHYIAYFOP-GXTWGEPZSA-N 1 0 251.374 0.825 10 0 CCAERO COC(=O)c1ccc(N2CCN(C)C[C@H]2C[NH3+])nc1C ZINC000250945456 352508795 /nfs/dbraw/zinc/50/87/95/352508795.db2.gz HKOJBLMYOZDFME-LLVKDONJSA-N 1 0 278.356 0.256 10 0 CCAERO NC(=O)[C@@H]1C[N@H+](Cc2cccnc2)CC12CCOCC2 ZINC000257195238 352550865 /nfs/dbraw/zinc/55/08/65/352550865.db2.gz VRBWUJOHAKPKQY-ZDUSSCGKSA-N 1 0 275.352 0.796 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)C(=O)N(C)C)C1 ZINC000253356106 352531507 /nfs/dbraw/zinc/53/15/07/352531507.db2.gz WMKRAOUPSVOTDW-MNOVXSKESA-N 1 0 270.377 0.247 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000262092692 352577301 /nfs/dbraw/zinc/57/73/01/352577301.db2.gz DDCIFJWKHZXJQE-CRWXNKLISA-N 1 0 266.385 0.899 10 0 CCAERO O=C(C[C@@H]1OCCc2ccccc21)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262091016 352577802 /nfs/dbraw/zinc/57/78/02/352577802.db2.gz CZNFUYRLKZJAIT-YUELXQCFSA-N 1 0 290.363 0.387 10 0 CCAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CCOCC2(CC2)C1 ZINC000333872116 295851119 /nfs/dbraw/zinc/85/11/19/295851119.db2.gz UUNNXUGIKBGMAA-LBPRGKRZSA-N 1 0 267.373 0.951 10 0 CCAERO Cc1nn(C)c(NC(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)c1C ZINC000152473916 188021363 /nfs/dbraw/zinc/02/13/63/188021363.db2.gz RJWKRQAEQGIZGP-LLVKDONJSA-N 1 0 293.371 0.138 10 0 CCAERO CN1CCO[C@H]2CCN(C(=O)c3cc(C4CC4)n[nH]3)C[C@@H]21 ZINC000284021977 353544251 /nfs/dbraw/zinc/54/42/51/353544251.db2.gz JJFFWLUNIJWEQS-KBPBESRZSA-N 1 0 290.367 0.832 10 0 CCAERO Cn1ncc2c1ncnc2N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000284636951 353556645 /nfs/dbraw/zinc/55/66/45/353556645.db2.gz VJDNQYXTQGMJMC-VXGBXAGGSA-N 1 0 288.355 0.273 10 0 CCAERO NC(=O)[C@@]1(O)CCC[N@H+](CCCOc2ccccc2)C1 ZINC000286276579 353573925 /nfs/dbraw/zinc/57/39/25/353573925.db2.gz SEOXXXAANSYAOD-OAHLLOKOSA-N 1 0 278.352 0.768 10 0 CCAERO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)[C@H](O)C2)C[C@@H](C)O1 ZINC000299904317 354055822 /nfs/dbraw/zinc/05/58/22/354055822.db2.gz KSVYVRVECFBRSK-UMSGYPCISA-N 1 0 270.373 0.325 10 0 CCAERO NC(=O)[C@]1(F)C[N@H+](Cc2ccccc2)CC12COC2 ZINC000306291753 354174435 /nfs/dbraw/zinc/17/44/35/354174435.db2.gz UDPIMJPRZYUPMZ-CQSZACIVSA-N 1 0 264.300 0.712 10 0 CCAERO Cn1ncc(Br)c1[C@@H](O)[C@@H]1C=CC[NH2+]1 ZINC000306563003 354175691 /nfs/dbraw/zinc/17/56/91/354175691.db2.gz PBXUEQMYOPRRAP-CBAPKCEASA-N 1 0 258.119 0.744 10 0 CCAERO O=C1c2ccccc2C(=O)N1CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000306631151 354175771 /nfs/dbraw/zinc/17/57/71/354175771.db2.gz LFUXJGMHMPSMFZ-RISCZKNCSA-N 1 0 285.347 0.924 10 0 CCAERO [NH2+]=C(NCc1ccccc1)N[C@@H]1CCC(=O)NC1=O ZINC000306844006 354177683 /nfs/dbraw/zinc/17/76/83/354177683.db2.gz DHVKDSUKGGZUOW-SNVBAGLBSA-N 1 0 260.297 0.106 10 0 CCAERO O=C1[C@H]([N@@H+]2CCC[C@@H](n3cncn3)C2)CCN1C1CC1 ZINC000328688438 202012449 /nfs/dbraw/zinc/01/24/49/202012449.db2.gz ZXYGNRWBIQLLFN-CHWSQXEVSA-N 1 0 275.356 0.678 10 0 CCAERO O=C1[C@H]([N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)CCN1C1CC1 ZINC000328688284 202012768 /nfs/dbraw/zinc/01/27/68/202012768.db2.gz ZTVPXFHIGHZNMR-ZYHUDNBSSA-N 1 0 275.356 0.747 10 0 CCAERO Cn1nncc1CN1CCO[C@H](C[N@H+](C)CC2CC2)C1 ZINC000328641288 354244052 /nfs/dbraw/zinc/24/40/52/354244052.db2.gz QOLWCAGQYWYWTM-CQSZACIVSA-N 1 0 279.388 0.358 10 0 CCAERO C[N@@H+](CC(=O)N1CCCC1)C[C@H]1CCc2nccn2C1 ZINC000328645103 354245616 /nfs/dbraw/zinc/24/56/16/354245616.db2.gz RYOLNQGSRTZUQP-CYBMUJFWSA-N 1 0 276.384 1.000 10 0 CCAERO O[C@]1(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CCOC1 ZINC000329301481 354255160 /nfs/dbraw/zinc/25/51/60/354255160.db2.gz VVPDQSNPLRERSB-NDBYEHHHSA-N 1 0 253.342 0.685 10 0 CCAERO CCN(CC)S(=O)(=O)CCN[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000330364987 354326167 /nfs/dbraw/zinc/32/61/67/354326167.db2.gz BXOSUQVUSPBXCA-CHWSQXEVSA-N 1 0 291.461 0.588 10 0 CCAERO O=S(=O)(c1ccc(N[C@H]2CC[NH2+]C2)nc1)N1CCCC1 ZINC000333615274 354763848 /nfs/dbraw/zinc/76/38/48/354763848.db2.gz YQHUIXSNUIMSBE-NSHDSACASA-N 1 0 296.396 0.640 10 0 CCAERO CN(C(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1)[C@@H]1CCOC1 ZINC000333625897 354765553 /nfs/dbraw/zinc/76/55/53/354765553.db2.gz UZCUHFKXBSNULC-VXGBXAGGSA-N 1 0 292.383 0.748 10 0 CCAERO CC(C)[C@H]1OCC[C@@H]1CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000333674380 354774268 /nfs/dbraw/zinc/77/42/68/354774268.db2.gz NRGVWAUICOUFCN-GRYCIOLGSA-N 1 0 255.362 0.709 10 0 CCAERO CN(C(=O)NCC1CCCCCC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333716415 354781752 /nfs/dbraw/zinc/78/17/52/354781752.db2.gz GAYWAJHPIKPIAV-STQMWFEESA-N 1 0 269.389 0.931 10 0 CCAERO CC1(CO)CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000333816043 354799394 /nfs/dbraw/zinc/79/93/94/354799394.db2.gz KCYJGWQZRUOMPO-GFCCVEGCSA-N 1 0 269.389 0.933 10 0 CCAERO O=C(NCC[NH2+]C1CCCCCC1)N1CCO[C@@H](CO)C1 ZINC000333874031 354808694 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C[C@@H](c1cnn(C)c1)[N@H+](C)CCN1C(=O)NC(C)(C)C1=O ZINC000180384574 189252761 /nfs/dbraw/zinc/25/27/61/189252761.db2.gz YEWPOFNFZYYXMB-JTQLQIEISA-N 1 0 293.371 0.743 10 0 CCAERO COc1ccnc(N2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)n1 ZINC000301537278 201054863 /nfs/dbraw/zinc/05/48/63/201054863.db2.gz AXWODFIFRKAFPY-STQMWFEESA-N 1 0 292.383 0.911 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1cn(C)nn1 ZINC000611694807 363764696 /nfs/dbraw/zinc/76/46/96/363764696.db2.gz CMXVZZFFNMBFFP-KGLIPLIRSA-N 1 0 291.399 0.833 10 0 CCAERO CNC(=O)C[NH+]1CCC(CN(C)c2ncc(C)cn2)CC1 ZINC000301847106 201230272 /nfs/dbraw/zinc/23/02/72/201230272.db2.gz URUUGCSXRDJQFO-UHFFFAOYSA-N 1 0 291.399 0.679 10 0 CCAERO NC(=O)[C@@H]1CCCN(C(=O)C[NH2+][C@H]2CCO[C@H]2C2CC2)C1 ZINC000330267520 202676176 /nfs/dbraw/zinc/67/61/76/202676176.db2.gz QPDWYTZPDCPAJU-DYEKYZERSA-N 1 0 295.383 0.917 10 0 CCAERO CC1CC(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000564947652 291323651 /nfs/dbraw/zinc/32/36/51/291323651.db2.gz OPAWIGXVUFTOQI-CXQJBGSLSA-N 1 0 267.373 0.346 10 0 CCAERO C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1C[NH3+] ZINC000631967623 370795281 /nfs/dbraw/zinc/79/52/81/370795281.db2.gz KLMCQVOXSUKZLO-PWSUYJOCSA-N 1 0 296.392 0.837 10 0 CCAERO C[C@@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C[NH3+] ZINC000631967383 370795601 /nfs/dbraw/zinc/79/56/01/370795601.db2.gz HMVAEVNGMGULEX-MNOVXSKESA-N 1 0 254.355 0.902 10 0 CCAERO [NH3+]CCN1CCOC[C@H](c2cccc(CCO)c2)C1 ZINC000616663725 365415373 /nfs/dbraw/zinc/41/53/73/365415373.db2.gz PEPHPTSWNDDQRP-OAHLLOKOSA-N 1 0 264.369 0.596 10 0 CCAERO NS(=O)(=O)[C@@H]1CCN(CC[NH3+])c2ccccc21 ZINC000616675877 365421844 /nfs/dbraw/zinc/42/18/44/365421844.db2.gz SFRLEBLCZIQTJK-LLVKDONJSA-N 1 0 255.343 0.185 10 0 CCAERO CC(C)(C)OC(=O)NCC[C@@H]1CC[N@H+](CCO)CCO1 ZINC000616665658 365419128 /nfs/dbraw/zinc/41/91/28/365419128.db2.gz QTKLJMPGRNJAOW-GFCCVEGCSA-N 1 0 288.388 0.984 10 0 CCAERO NS(=O)(=O)N1CC[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000616638165 365397088 /nfs/dbraw/zinc/39/70/88/365397088.db2.gz GISTXFNVTWTIQL-JTQLQIEISA-N 1 0 275.761 0.490 10 0 CCAERO CC(C)(C)OC(=O)NCCN1CCOC[C@@H]1CC[NH3+] ZINC000616639059 365399732 /nfs/dbraw/zinc/39/97/32/365399732.db2.gz ISSCGZLLKSYUDF-NSHDSACASA-N 1 0 273.377 0.561 10 0 CCAERO [NH3+]CCN1CCO[C@@H](c2ccc3ccnnc3c2)C1 ZINC000616646281 365405671 /nfs/dbraw/zinc/40/56/71/365405671.db2.gz KMURODJPWNGJNR-CQSZACIVSA-N 1 0 258.325 0.962 10 0 CCAERO CC(C)(C)OC(=O)NCC[C@@H]1CN(CC[NH3+])CCO1 ZINC000616648055 365407486 /nfs/dbraw/zinc/40/74/86/365407486.db2.gz LTPIRYGXVFFHGH-LLVKDONJSA-N 1 0 273.377 0.561 10 0 CCAERO CC(C)(C)OC(=O)NCC[C@@H]1CN(CC[NH3+])CCCO1 ZINC000616678555 365421363 /nfs/dbraw/zinc/42/13/63/365421363.db2.gz JDQJKZAOHQGDOE-GFCCVEGCSA-N 1 0 287.404 0.951 10 0 CCAERO O=C1CO[C@@H]2C[NH2+]C[C@H]2N1Cc1ccc(F)cc1 ZINC000616578697 365374441 /nfs/dbraw/zinc/37/44/41/365374441.db2.gz NNJWXQNOKNOTPZ-VXGBXAGGSA-N 1 0 250.273 0.525 10 0 CCAERO OCCc1ccc([C@H]2C[N@H+](CCO)CCCO2)cc1 ZINC000616599061 365378773 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ZINC000567464569 291484840 /nfs/dbraw/zinc/48/48/40/291484840.db2.gz YCEGCWGSNOHRQO-GFCCVEGCSA-N 1 0 259.346 0.313 10 0 CCAERO OC1(C[NH2+]CCCO[C@H]2CCOC2)CCOCC1 ZINC000567464570 291484887 /nfs/dbraw/zinc/48/48/87/291484887.db2.gz YCEGCWGSNOHRQO-LBPRGKRZSA-N 1 0 259.346 0.313 10 0 CCAERO CO[C@@H]1CN(CC(=O)N2CCCC[C@H]2C)[C@](C)(C[NH3+])C1 ZINC000630358928 370062187 /nfs/dbraw/zinc/06/21/87/370062187.db2.gz CXTFKRBHXJSAPS-IPYPFGDCSA-N 1 0 283.416 0.826 10 0 CCAERO CO[C@H]1CN(S(=O)(=O)c2cccs2)[C@@](C)(C[NH3+])C1 ZINC000630359343 370062436 /nfs/dbraw/zinc/06/24/36/370062436.db2.gz CJTJQJMKRUDIQJ-MWLCHTKSSA-N 1 0 290.410 0.875 10 0 CCAERO CO[C@@H]1CN(CCCS(=O)(=O)C(C)C)[C@@](C)(C[NH3+])C1 ZINC000630361742 370063052 /nfs/dbraw/zinc/06/30/52/370063052.db2.gz VKVPSRDXSTXUGV-QWHCGFSZSA-N 1 0 292.445 0.638 10 0 CCAERO CO[C@@H]1CN(CCOC2CCOCC2)[C@@](C)(C[NH3+])C1 ZINC000630366377 370067672 /nfs/dbraw/zinc/06/76/72/370067672.db2.gz KGCQKEFRZKNWJS-UONOGXRCSA-N 1 0 272.389 0.620 10 0 CCAERO CO[C@H]1CN(CCc2cnn(C)c2)[C@](C)(C[NH3+])C1 ZINC000630368093 370068724 /nfs/dbraw/zinc/06/87/24/370068724.db2.gz QGSLJKJPLOZRAU-OLZOCXBDSA-N 1 0 252.362 0.401 10 0 CCAERO CO[C@H]1CN(C(=O)c2ccc(C)[nH]c2=O)[C@](C)(C[NH3+])C1 ZINC000630367979 370069031 /nfs/dbraw/zinc/06/90/31/370069031.db2.gz OUWHHZXFSLFOPK-YGRLFVJLSA-N 1 0 279.340 0.674 10 0 CCAERO CO[C@H]1CN(C(=O)c2cc(C)no2)[C@@](C)(C[NH3+])C1 ZINC000630368680 370069621 /nfs/dbraw/zinc/06/96/21/370069621.db2.gz SUBSHPYLSBMFIG-BXKDBHETSA-N 1 0 253.302 0.561 10 0 CCAERO COCc1cc(C(=O)N2C[C@@H](OC)C[C@]2(C)C[NH3+])no1 ZINC000630371340 370073200 /nfs/dbraw/zinc/07/32/00/370073200.db2.gz KYUJTJIKJBERRQ-GXFFZTMASA-N 1 0 283.328 0.399 10 0 CCAERO CO[C@@H]1CN(C(=O)c2snnc2C)[C@@](C)(C[NH3+])C1 ZINC000630375633 370077463 /nfs/dbraw/zinc/07/74/63/370077463.db2.gz AWYJPPZBSMRQQR-GZMMTYOYSA-N 1 0 270.358 0.425 10 0 CCAERO CCNC(=O)c1ccc(N2C[C@@H](C[NH3+])[C@H](C)C2)nn1 ZINC000630385204 370087986 /nfs/dbraw/zinc/08/79/86/370087986.db2.gz COLMDVJEZQSTNA-NXEZZACHSA-N 1 0 263.345 0.257 10 0 CCAERO C[NH2+]CCOCCNc1ncnc2onc(C)c21 ZINC000630530599 370149725 /nfs/dbraw/zinc/14/97/25/370149725.db2.gz LQSHIAKVSITURU-UHFFFAOYSA-N 1 0 251.290 0.574 10 0 CCAERO COc1cc(OC)nc(N[C@H]2CC[C@H](C)[NH2+]C2)n1 ZINC000630534480 370154192 /nfs/dbraw/zinc/15/41/92/370154192.db2.gz XRZXHUXHMWKFRZ-IUCAKERBSA-N 1 0 252.318 0.468 10 0 CCAERO C[C@@H]1[NH2+]CC[C@H]1Nc1ncccc1S(C)(=O)=O ZINC000630546525 370162691 /nfs/dbraw/zinc/16/26/91/370162691.db2.gz WVZHUWYVXPFMLC-DTWKUNHWSA-N 1 0 255.343 0.647 10 0 CCAERO COc1c(C[NH2+]CC[C@H](O)C(F)F)c(C)nn1C ZINC000631216243 370425330 /nfs/dbraw/zinc/42/53/30/370425330.db2.gz HFLKGYSZOJHVFL-VIFPVBQESA-N 1 0 263.288 0.843 10 0 CCAERO CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NCCCC[NH3+] ZINC000236697732 189839438 /nfs/dbraw/zinc/83/94/38/189839438.db2.gz XCYFRAWQPBBLCU-GFCCVEGCSA-N 1 0 281.356 0.889 10 0 CCAERO CN(C(=O)[C@]12CCC[C@H]1C[NH2+]C2)[C@@H]1CCS(=O)(=O)C1 ZINC000634735663 372178192 /nfs/dbraw/zinc/17/81/92/372178192.db2.gz MWPUDNKDWOJCSL-LOWVWBTDSA-N 1 0 286.397 0.022 10 0 CCAERO Cc1nnc(CNC(=O)[C@]23CCC[C@H]2C[NH2+]C3)n1C ZINC000634768053 372216024 /nfs/dbraw/zinc/21/60/24/372216024.db2.gz UYDACJOECRWPIA-GWCFXTLKSA-N 1 0 263.345 0.129 10 0 CCAERO CC(C)(C)[C@H](O)CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634770118 372218451 /nfs/dbraw/zinc/21/84/51/372218451.db2.gz AGFFJUGCYJLKMB-WDMOLILDSA-N 1 0 254.374 0.899 10 0 CCAERO C[C@@H](NC(=O)[C@]12CCC[C@H]1C[NH2+]C2)c1ncon1 ZINC000634770342 372219878 /nfs/dbraw/zinc/21/98/78/372219878.db2.gz IDFNPTNJTCIOPR-PTRXPTGYSA-N 1 0 250.302 0.637 10 0 CCAERO CC(=O)N[C@@H]1CCCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634740964 372183951 /nfs/dbraw/zinc/18/39/51/372183951.db2.gz OBBCXJKXTRWBLM-GUTXKFCHSA-N 1 0 279.384 0.503 10 0 CCAERO Cc1nn(C)c(C)c1CNC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333165534 205086290 /nfs/dbraw/zinc/08/62/90/205086290.db2.gz HGLJXETWOWUFGM-GFCCVEGCSA-N 1 0 279.388 0.978 10 0 CCAERO O=C1NCCCN1C1CC[NH+](CCC2(O)CC2)CC1 ZINC000333438668 205321413 /nfs/dbraw/zinc/32/14/13/205321413.db2.gz JEXBFBVVDRPCMN-UHFFFAOYSA-N 1 0 267.373 0.781 10 0 CCAERO CC(C)CN1CCN(C(=O)NC[C@@H]2CC[NH2+]C2)CC1=O ZINC000333473073 205351850 /nfs/dbraw/zinc/35/18/50/205351850.db2.gz BBJPBJVPDCTYSV-GFCCVEGCSA-N 1 0 282.388 0.106 10 0 CCAERO O=C(NC[C@@H]1CCC[C@H]1O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000333552657 205434920 /nfs/dbraw/zinc/43/49/20/205434920.db2.gz JSRBIOMBXNIEHK-DMDPSCGWSA-N 1 0 293.371 0.093 10 0 CCAERO COC(=O)[C@H]1CN(CC[NH+]2CCC(C)CC2)C[C@@H](C)O1 ZINC000154549882 284401981 /nfs/dbraw/zinc/40/19/81/284401981.db2.gz DDRDPTAWIXTXMD-ZIAGYGMSSA-N 1 0 284.400 0.981 10 0 CCAERO Cc1csc(NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)n1 ZINC000333946674 205857331 /nfs/dbraw/zinc/85/73/31/205857331.db2.gz UWMYUISJFSVVIM-YUMQZZPRSA-N 1 0 256.331 0.248 10 0 CCAERO CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000637849741 374406406 /nfs/dbraw/zinc/40/64/06/374406406.db2.gz HUIKPSQYDVVTQM-AGIUHOORSA-N 1 0 269.389 0.781 10 0 CCAERO COC[C@@]1(C(=O)N(C)C[C@H]2CCCO2)CCCC[NH2+]1 ZINC000637909641 374467086 /nfs/dbraw/zinc/46/70/86/374467086.db2.gz TZGVUYVOTPFMQQ-TZMCWYRMSA-N 1 0 270.373 0.783 10 0 CCAERO CC(=O)N[C@H]1CCCN(C(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000637922136 374477027 /nfs/dbraw/zinc/47/70/27/374477027.db2.gz LYXNAQAMWPJLMQ-RYUDHWBXSA-N 1 0 251.330 0.161 10 0 CCAERO COC[C@]1(C(=O)N2CCC([C@H](C)O)CC2)CCCC[NH2+]1 ZINC000637975229 374520140 /nfs/dbraw/zinc/52/01/40/374520140.db2.gz GQHZOXMDADBZCP-WFASDCNBSA-N 1 0 284.400 0.765 10 0 CCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCCN1c1ncccn1 ZINC000638237579 374830710 /nfs/dbraw/zinc/83/07/10/374830710.db2.gz UURHBGHNOJSLKM-WOPDTQHZSA-N 1 0 275.356 0.394 10 0 CCAERO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@H](C)c2ncc(C)o2)C1 ZINC000638281589 374888135 /nfs/dbraw/zinc/88/81/35/374888135.db2.gz RYKMSPBXEVDAQD-GBIKHYSHSA-N 1 0 267.329 0.927 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCO[C@H](CCF)C1 ZINC000638683151 375290972 /nfs/dbraw/zinc/29/09/72/375290972.db2.gz CRCGXEPPKSGERS-QJPTWQEYSA-N 1 0 258.337 0.948 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCO[C@H](CCF)C1 ZINC000638683154 375291173 /nfs/dbraw/zinc/29/11/73/375291173.db2.gz CRCGXEPPKSGERS-TUAOUCFPSA-N 1 0 258.337 0.948 10 0 CCAERO [NH3+]CC1(C(=O)N2CCO[C@@H](CCF)C2)CCOCC1 ZINC000638684296 375292242 /nfs/dbraw/zinc/29/22/42/375292242.db2.gz RJKPNCILILINGK-NSHDSACASA-N 1 0 274.336 0.329 10 0 CCAERO Cc1cc(C)n(CC(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000638893087 375431452 /nfs/dbraw/zinc/43/14/52/375431452.db2.gz KXFHHFCTNREONU-BXKDBHETSA-N 1 0 250.346 0.553 10 0 CCAERO CC(=O)N1CCC[C@@H]1C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638905860 375442753 /nfs/dbraw/zinc/44/27/53/375442753.db2.gz SOMYAIOGOJXXOD-ZMLRMANQSA-N 1 0 253.346 0.051 10 0 CCAERO Cc1nc(C)c(C(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](O)C2)[nH]1 ZINC000640866199 376580718 /nfs/dbraw/zinc/58/07/18/376580718.db2.gz KDFILYLCKXZCLC-XQQFMLRXSA-N 1 0 292.383 0.744 10 0 CCAERO COC[C@H]([NH3+])Cc1cn(C[C@@H](O)C(C)(C)C)nn1 ZINC000641211758 376890371 /nfs/dbraw/zinc/89/03/71/376890371.db2.gz QOWQMLFPRNNONY-MWLCHTKSSA-N 1 0 256.350 0.201 10 0 CCAERO c1cc(-c2noc(CN3CCO[C@@H]4C[NH2+]C[C@@H]43)n2)cs1 ZINC000514664793 249096752 /nfs/dbraw/zinc/09/67/52/249096752.db2.gz UOIFODXVPQWLAC-WDEREUQCSA-N 1 0 292.364 0.971 10 0 CCAERO Cc1cc2ccccc2nc1NC[C@@H]1C[NH2+]C[C@H]1O ZINC000643040265 377702439 /nfs/dbraw/zinc/70/24/39/377702439.db2.gz OVISTTUKEWSQIB-GXTWGEPZSA-N 1 0 257.337 0.957 10 0 CCAERO O=C(C[N@@H+]1CC2(CCC2)[C@H]2COC[C@H]21)N1CCC1 ZINC000334796957 207092585 /nfs/dbraw/zinc/09/25/85/207092585.db2.gz OMUTVUFTCHLZTA-NWDGAFQWSA-N 1 0 250.342 0.720 10 0 CCAERO O=S(=O)(CC[NH+]1CCCC1)N1C[C@@H](F)[C@@H](F)C1 ZINC000334811996 207118109 /nfs/dbraw/zinc/11/81/09/207118109.db2.gz UAYYUPYCELDIEZ-AOOOYVTPSA-N 1 0 268.329 0.404 10 0 CCAERO CNC(=O)C(C)(C)C[NH2+]C[C@H](O)COCc1ccco1 ZINC000230396941 284951437 /nfs/dbraw/zinc/95/14/37/284951437.db2.gz RPEUWLMFLVOUIJ-NSHDSACASA-N 1 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RICOHCHLMRIRKV-ZJUUUORDSA-N 1 0 254.334 0.265 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCNC(=O)[C@H]2C)C1 ZINC000247774584 285059540 /nfs/dbraw/zinc/05/95/40/285059540.db2.gz QDYRGQMKLXELMU-GHMZBOCLSA-N 1 0 268.361 0.001 10 0 CCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@]2(C)CCCO2)C[C@@H]1C ZINC000248600278 285071055 /nfs/dbraw/zinc/07/10/55/285071055.db2.gz IYJYCKLMRYGTOM-YDHLFZDLSA-N 1 0 299.415 0.652 10 0 CCAERO O=S1(=O)N=C(O[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000051872541 285074079 /nfs/dbraw/zinc/07/40/79/285074079.db2.gz CQFHHHZFUWQMCL-VIFPVBQESA-N 1 0 266.322 0.904 10 0 CCAERO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1CC(F)(F)CN1 ZINC000335323454 208187182 /nfs/dbraw/zinc/18/71/82/208187182.db2.gz XDYUXYOSCREVFN-MNOVXSKESA-N 1 0 275.343 0.784 10 0 CCAERO O=C1NCCCC[C@@H]1N1CC[NH+](CC2CC2)CC1 ZINC000156687867 296365260 /nfs/dbraw/zinc/36/52/60/296365260.db2.gz KFYPKBFVRJGZPO-ZDUSSCGKSA-N 1 0 251.374 0.683 10 0 CCAERO CC[C@H]1CN(Cc2cocn2)CC[N@@H+]1C[C@H](C)O ZINC000249254332 285107333 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CCC[C@@H](NC(N)=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000262653711 389292291 /nfs/dbraw/zinc/29/22/91/389292291.db2.gz YSRVJVKMIVHIAV-NEPJUHHUSA-N 1 0 284.404 0.847 10 0 CCAERO C[C@H](NC(=O)C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1)C(=O)N(C)C ZINC000152855818 389293877 /nfs/dbraw/zinc/29/38/77/389293877.db2.gz KLOPEVCGPHFZLS-YNEHKIRRSA-N 1 0 297.399 0.080 10 0 CCAERO COC(=O)[C@@H]1C[C@@H](OC)CN1CCC[NH+]1CCCC1 ZINC000153700736 389305755 /nfs/dbraw/zinc/30/57/55/389305755.db2.gz JXMSRKNKXUSFFX-OLZOCXBDSA-N 1 0 270.373 0.735 10 0 CCAERO CNC(=O)c1cccnc1N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000332767435 389368561 /nfs/dbraw/zinc/36/85/61/389368561.db2.gz FJHNRKNUINPQTA-CHWSQXEVSA-N 1 0 290.367 0.351 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCN1C(=O)CNC1=O ZINC000162107886 389414839 /nfs/dbraw/zinc/41/48/39/389414839.db2.gz KNKSNEVVPAHJOX-VXGBXAGGSA-N 1 0 280.372 0.097 10 0 CCAERO C[C@H](CCn1cccn1)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000159016906 389357062 /nfs/dbraw/zinc/35/70/62/389357062.db2.gz MZYGYDXAFBPULK-VXGBXAGGSA-N 1 0 260.345 0.858 10 0 CCAERO CC(C)C(=O)N1CCC[C@H]1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000334284561 389464946 /nfs/dbraw/zinc/46/49/46/389464946.db2.gz BKPYKYUYZHWVGJ-KGLIPLIRSA-N 1 0 293.411 0.940 10 0 CCAERO CC(=O)N1CCC[C@@H](C(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000170858846 389466677 /nfs/dbraw/zinc/46/66/77/389466677.db2.gz VHYHIOOHGOUEAD-OLZOCXBDSA-N 1 0 267.373 0.407 10 0 CCAERO CNC(=O)NC(=O)CC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000172067810 389483478 /nfs/dbraw/zinc/48/34/78/389483478.db2.gz RWKOXKQBSRHCGT-LLVKDONJSA-N 1 0 279.344 0.782 10 0 CCAERO CC(C)[C@H]1C[C@H](CNC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CCO1 ZINC000333591552 389431884 /nfs/dbraw/zinc/43/18/84/389431884.db2.gz BBRPRKRWLVWJBS-ZOBORPQBSA-N 1 0 299.415 0.412 10 0 CCAERO CC(C)[C@]1(C)C[C@H]1NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333675645 389439238 /nfs/dbraw/zinc/43/92/38/389439238.db2.gz YXCFLKFLNDTRPY-KQXIARHKSA-N 1 0 255.362 0.395 10 0 CCAERO CN(c1cc(N2CCC[C@@H](CO)C2)ncn1)C1CC([NH3+])C1 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CC(C)c1cc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)nn1C ZINC000174245116 389518090 /nfs/dbraw/zinc/51/80/90/389518090.db2.gz JSLZVBNAHPZOIN-LBPRGKRZSA-N 1 0 294.399 0.946 10 0 CCAERO CC(C)N1CCC[C@@H]([NH2+]C[C@H]2CN(C)CCO2)C1=O ZINC000175010076 389534352 /nfs/dbraw/zinc/53/43/52/389534352.db2.gz XLYOPDAHDLIODC-QWHCGFSZSA-N 1 0 269.389 0.306 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1=NN(C)C(=O)CC1 ZINC000175032026 389534367 /nfs/dbraw/zinc/53/43/67/389534367.db2.gz NTIOUANROCEEKB-VXGBXAGGSA-N 1 0 292.383 0.680 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CCCF)C1 ZINC000175536153 389542080 /nfs/dbraw/zinc/54/20/80/389542080.db2.gz TZGQHIROKWXCCI-SNVBAGLBSA-N 1 0 252.355 0.750 10 0 CCAERO CCC[C@@H](C(=O)N1CCC[C@H]2C(=O)NC[C@H]21)[NH+](C)C ZINC000374103477 389546498 /nfs/dbraw/zinc/54/64/98/389546498.db2.gz BAUAVLPWGHMWHO-GRYCIOLGSA-N 1 0 267.373 0.454 10 0 CCAERO CC(=O)N1CC[C@H](C(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000175990298 389551620 /nfs/dbraw/zinc/55/16/20/389551620.db2.gz 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/nfs/dbraw/zinc/62/28/64/389622864.db2.gz WRVPHZMBALVCMX-CYBMUJFWSA-N 1 0 294.399 0.855 10 0 CCAERO Cc1cc([C@H](C)[NH2+][C@@H]2CCc3ncnn3C2)nn1C ZINC000281999573 389644587 /nfs/dbraw/zinc/64/45/87/389644587.db2.gz CWRXVAXWMQSGJY-WDEREUQCSA-N 1 0 260.345 0.986 10 0 CCAERO CC[C@@H]1CN(C(=O)CCc2nnc[nH]2)CC[N@@H+]1CCOC ZINC000177218939 389575995 /nfs/dbraw/zinc/57/59/95/389575995.db2.gz ISWCBDSQTIPZLZ-GFCCVEGCSA-N 1 0 295.387 0.307 10 0 CCAERO C[C@H]([NH2+]CC(=O)NC(=O)NC1CCCC1)[C@H]1CCCO1 ZINC000183140250 389725315 /nfs/dbraw/zinc/72/53/15/389725315.db2.gz GRVUAWMACWWLAM-CMPLNLGQSA-N 1 0 283.372 0.912 10 0 CCAERO CC[C@H](O)CN1CCN(C(=O)NC[C@@H](C)SC)CC1 ZINC000182035135 389698084 /nfs/dbraw/zinc/69/80/84/389698084.db2.gz WWIBWCSPOOTVJC-NEPJUHHUSA-N 1 0 289.445 0.836 10 0 CCAERO CC(C)c1nnc2n1C[C@H](NC(=O)C[NH2+]C1CC1)CC2 ZINC000182104096 389700256 /nfs/dbraw/zinc/70/02/56/389700256.db2.gz ZDWLMQNRKPBBFH-LLVKDONJSA-N 1 0 277.372 0.585 10 0 CCAERO CC[C@@H]1CN(Cc2nc(COC)no2)CC[N@@H+]1CCOC ZINC000182235791 389704455 /nfs/dbraw/zinc/70/44/55/389704455.db2.gz YZSRWQYFAWUYAB-GFCCVEGCSA-N 1 0 298.387 0.759 10 0 CCAERO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000392873175 389774811 /nfs/dbraw/zinc/77/48/11/389774811.db2.gz FKQWXAKBQWIDQL-XWLWVQCSSA-N 1 0 255.362 0.546 10 0 CCAERO C[C@@H]1CCCN(C(=O)C[N@@H+]2C[C@H](C)C[C@H](O)C2)C1 ZINC000401751466 389802908 /nfs/dbraw/zinc/80/29/08/389802908.db2.gz QIWRGYDQRBMGKD-UPJWGTAASA-N 1 0 254.374 0.948 10 0 CCAERO CCO[C@@H]1CN(c2ncccc2OC)C[C@H]1C[NH3+] ZINC000405320213 389813335 /nfs/dbraw/zinc/81/33/35/389813335.db2.gz YUHJUFWNNDYTFI-ZYHUDNBSSA-N 1 0 251.330 0.890 10 0 CCAERO C[C@@H](CNC(=O)N[C@@H]1CCCNC1=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000407981625 389817706 /nfs/dbraw/zinc/81/77/06/389817706.db2.gz BHGIXGSSVNENHT-FRRDWIJNSA-N 1 0 296.415 0.685 10 0 CCAERO O[C@H]1C[NH2+]C[C@H]1CNc1ccc(C(F)(F)F)cn1 ZINC000420254160 389973867 /nfs/dbraw/zinc/97/38/67/389973867.db2.gz RFMXTLKMOKQVLU-CBAPKCEASA-N 1 0 261.247 0.515 10 0 CCAERO CS(=O)(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000647964640 390231477 /nfs/dbraw/zinc/23/14/77/390231477.db2.gz SNFOYYDZYYELLT-IJLUTSLNSA-N 1 0 276.402 0.161 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC000648128043 390297340 /nfs/dbraw/zinc/29/73/40/390297340.db2.gz BHMAEGHYOQEBCF-UHTWSYAYSA-N 1 0 279.384 0.644 10 0 CCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N2CC[C@@H]3OCC[C@@H]3C2)C1 ZINC000583632034 390301569 /nfs/dbraw/zinc/30/15/69/390301569.db2.gz LQKDTEWSNGRDAX-KKOKHZNYSA-N 1 0 254.330 0.001 10 0 CCAERO CC(C)(C)[C@@H](O)CNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000648153441 390315355 /nfs/dbraw/zinc/31/53/55/390315355.db2.gz NKPGJFFPOCLOTE-BDAKNGLRSA-N 1 0 264.316 0.754 10 0 CCAERO O=C(Nc1ccc2c(c1)NC(=O)CO2)[C@H]1C[C@H](F)C[NH2+]1 ZINC000645295779 390405399 /nfs/dbraw/zinc/40/53/99/390405399.db2.gz DXNGITIHRXEKEA-OIBJUYFYSA-N 1 0 279.271 0.656 10 0 CCAERO COc1ccccc1OCCNC(=O)[C@H]1CC[NH2+]C1 ZINC000645188679 390385210 /nfs/dbraw/zinc/38/52/10/390385210.db2.gz AOTGTIORPOSRJB-NSHDSACASA-N 1 0 264.325 0.800 10 0 CCAERO O=C(NCc1cccc2c1OCO2)[C@H]1C[NH2+]CCOC1 ZINC000643650294 390489709 /nfs/dbraw/zinc/48/97/09/390489709.db2.gz RKAIPIVMYUIARV-NSHDSACASA-N 1 0 278.308 0.268 10 0 CCAERO COCCC1(C(=O)N2CC[C@H](COC)C2)CC[NH2+]CC1 ZINC000643689340 390500670 /nfs/dbraw/zinc/50/06/70/390500670.db2.gz CJKWWICXOAGFHJ-ZDUSSCGKSA-N 1 0 284.400 0.888 10 0 CCAERO COC[C@@]1(C(=O)NC[C@]2(C)CCOC2)CCC[NH2+]1 ZINC000643691892 390502337 /nfs/dbraw/zinc/50/23/37/390502337.db2.gz OUOBDORFSQZSSN-QWHCGFSZSA-N 1 0 256.346 0.298 10 0 CCAERO COC[C@@]1(C(=O)N2CC[C@](O)(C(F)(F)F)C2)CCC[NH2+]1 ZINC000643712435 390511000 /nfs/dbraw/zinc/51/10/00/390511000.db2.gz SNOFIQNSNVXLBE-GHMZBOCLSA-N 1 0 296.289 0.281 10 0 CCAERO CC[N@@H+]1CC[C@@H](NC(=O)[C@]2(OC(C)C)CCOC2)C1 ZINC000333997361 285375945 /nfs/dbraw/zinc/37/59/45/285375945.db2.gz OTUWHOQBFKZHAC-OCCSQVGLSA-N 1 0 270.373 0.781 10 0 CCAERO CC(C)CN1C[C@H](C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)CC1=O ZINC000643590737 390464391 /nfs/dbraw/zinc/46/43/91/390464391.db2.gz WPRREYKZXYFAEV-QJPTWQEYSA-N 1 0 267.373 0.439 10 0 CCAERO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)C[C@H]1[NH3+] ZINC000643600372 390465742 /nfs/dbraw/zinc/46/57/42/390465742.db2.gz ODBCOKWIJYDNRL-UTUOFQBUSA-N 1 0 281.400 0.829 10 0 CCAERO C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)C(C)(C)C)C[C@@H]1[NH3+] ZINC000643600369 390465958 /nfs/dbraw/zinc/46/59/58/390465958.db2.gz ODBCOKWIJYDNRL-GRYCIOLGSA-N 1 0 281.400 0.829 10 0 CCAERO COc1ccc(CNC(=O)[C@@H]2C[NH2+]CCOC2)cc1 ZINC000643615566 390470178 /nfs/dbraw/zinc/47/01/78/390470178.db2.gz PSKPVVBMPDVJMQ-GFCCVEGCSA-N 1 0 264.325 0.547 10 0 CCAERO CN(Cc1cccc(O)c1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643634725 390483121 /nfs/dbraw/zinc/48/31/21/390483121.db2.gz ZCLHAEXEBKQGSW-GFCCVEGCSA-N 1 0 264.325 0.587 10 0 CCAERO COC[C@]1(C(=O)Nc2ccc(=O)n(C)c2)CCC[NH2+]1 ZINC000643638548 390484081 /nfs/dbraw/zinc/48/40/81/390484081.db2.gz DHWYWOUOMLSTNE-ZDUSSCGKSA-N 1 0 265.313 0.092 10 0 CCAERO COCCC1(C(=O)NCCCNC(C)=O)CC[NH2+]CC1 ZINC000643639803 390484959 /nfs/dbraw/zinc/48/49/59/390484959.db2.gz HCIRTGPKAANUSV-UHFFFAOYSA-N 1 0 285.388 0.035 10 0 CCAERO Cc1cc(CN(C)C(=O)[C@H]2C[NH2+]CCOC2)no1 ZINC000643642740 390486916 /nfs/dbraw/zinc/48/69/16/390486916.db2.gz UUNUPTCVEXUYGA-JTQLQIEISA-N 1 0 253.302 0.177 10 0 CCAERO O=C([C@@H]1C[NH2+]CCOC1)N1CCOc2ccccc21 ZINC000643643103 390487138 /nfs/dbraw/zinc/48/71/38/390487138.db2.gz RFPZSBPFQHMCNB-LLVKDONJSA-N 1 0 262.309 0.648 10 0 CCAERO COC[C@]1(C(=O)N[C@H]2CCCOCC2)CCC[NH2+]1 ZINC000643781288 390546745 /nfs/dbraw/zinc/54/67/45/390546745.db2.gz OTGKNRVGEIOAKD-AAEUAGOBSA-N 1 0 256.346 0.440 10 0 CCAERO COC[C@@]1(C(=O)NCc2cccc(C)n2)CCC[NH2+]1 ZINC000649296585 390557670 /nfs/dbraw/zinc/55/76/70/390557670.db2.gz SRUCIENTBGQRSG-CQSZACIVSA-N 1 0 263.341 0.775 10 0 CCAERO COC[C@]1(C(=O)NCc2cccc(C)n2)CCC[NH2+]1 ZINC000649296584 390557949 /nfs/dbraw/zinc/55/79/49/390557949.db2.gz SRUCIENTBGQRSG-AWEZNQCLSA-N 1 0 263.341 0.775 10 0 CCAERO CCn1cc(CN(C)C(=O)[C@@]2(COC)CCC[NH2+]2)cn1 ZINC000649335758 390591645 /nfs/dbraw/zinc/59/16/45/390591645.db2.gz WNVWHHDCXHOBPY-AWEZNQCLSA-N 1 0 280.372 0.630 10 0 CCAERO CC(C)CN1C[C@H](C(=O)N[C@@H]2CCC[C@H]2C[NH3+])CC1=O ZINC000644065402 390642204 /nfs/dbraw/zinc/64/22/04/390642204.db2.gz ZCDPTXYKQBMJAQ-YNEHKIRRSA-N 1 0 281.400 0.735 10 0 CCAERO Cc1cnc([C@H](C)NC(=O)[C@@H]2C[NH2+]CCOC2)s1 ZINC000649346464 390600732 /nfs/dbraw/zinc/60/07/32/390600732.db2.gz JKAIRVMQKMWQNU-VHSXEESVSA-N 1 0 269.370 0.865 10 0 CCAERO Cc1ccc(CC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1C ZINC000647040738 390763633 /nfs/dbraw/zinc/76/36/33/390763633.db2.gz NWIGMCJCMDJWMQ-KGLIPLIRSA-N 1 0 262.353 0.542 10 0 CCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(OCC(N)=O)cc1 ZINC000647045441 390764672 /nfs/dbraw/zinc/76/46/72/390764672.db2.gz MATVXIXLYSYOKK-SKDRFNHKSA-N 1 0 277.324 0.112 10 0 CCAERO Cc1cc(C)n2nc(C(=O)N3CC[C@@H]([NH3+])[C@H]3C)nc2n1 ZINC000647044960 390764688 /nfs/dbraw/zinc/76/46/88/390764688.db2.gz VGZJXEWYESAZGJ-NXEZZACHSA-N 1 0 274.328 0.303 10 0 CCAERO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+](C)CC1CC(O)C1 ZINC000190209289 130072880 /nfs/dbraw/zinc/07/28/80/130072880.db2.gz DOEIGPUSXCZZCO-KPPDAEKUSA-N 1 0 285.388 0.702 10 0 CCAERO C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC(c3cccnc3)=NO2)C1 ZINC000191183311 130198753 /nfs/dbraw/zinc/19/87/53/130198753.db2.gz CXAGSDWMDCDRDF-JSGCOSHPSA-N 1 0 288.351 0.737 10 0 CCAERO O=C(NCC[S@@](=O)Cc1ccccc1)[C@@H]1C[NH2+]CCO1 ZINC000237888841 131062871 /nfs/dbraw/zinc/06/28/71/131062871.db2.gz IJTAWEZKBLXMRX-RNODOKPDSA-N 1 0 296.392 0.040 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1nncs1 ZINC000247026407 131100128 /nfs/dbraw/zinc/10/01/28/131100128.db2.gz GFLVAXDVRUDEJZ-ZJUUUORDSA-N 1 0 281.385 0.645 10 0 CCAERO Cc1ccccc1[C@H](O)CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261706422 131163549 /nfs/dbraw/zinc/16/35/49/131163549.db2.gz BQHKAFMVTMGLPU-BNOWGMLFSA-N 1 0 278.352 0.651 10 0 CCAERO CC(C)(CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)c1cccc(F)c1 ZINC000262413872 131219455 /nfs/dbraw/zinc/21/94/55/131219455.db2.gz PRAWJWKCYUGPQY-STQMWFEESA-N 1 0 280.343 0.942 10 0 CCAERO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCO[C@H](c2cccs2)C1 ZINC000262465761 131222835 /nfs/dbraw/zinc/22/28/35/131222835.db2.gz WGJVLEPLSRAPGN-VWYCJHECSA-N 1 0 282.365 0.371 10 0 CCAERO C[C@H](C[C@H](O)c1ccccc1)NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262557530 131232648 /nfs/dbraw/zinc/23/26/48/131232648.db2.gz VJNKPJOTUYLLCD-ZZVYKPCYSA-N 1 0 278.352 0.338 10 0 CCAERO C[C@H]([NH3+])C(=O)NCc1ccnc(OC2CCOCC2)c1 ZINC000262710241 131254391 /nfs/dbraw/zinc/25/43/91/131254391.db2.gz PVIVVFAABFDENS-JTQLQIEISA-N 1 0 279.340 0.603 10 0 CCAERO CC(C)[C@H](O)CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262808191 131263455 /nfs/dbraw/zinc/26/34/55/131263455.db2.gz PZCZODVFKOCEEW-WCQYABFASA-N 1 0 280.372 0.554 10 0 CCAERO NS(=O)(=O)c1ccc(N2CCC([NH3+])CC2)cc1 ZINC000035348702 134792130 /nfs/dbraw/zinc/79/21/30/134792130.db2.gz LMUFOHMKNDNMFV-UHFFFAOYSA-N 1 0 255.343 0.262 10 0 CCAERO C[NH2+]CCCC(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000037610995 397382231 /nfs/dbraw/zinc/38/22/31/397382231.db2.gz FOAHXONLDYTJOJ-JTQLQIEISA-N 1 0 299.396 0.511 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cc(F)ccc1F ZINC000262071358 143935652 /nfs/dbraw/zinc/93/56/52/143935652.db2.gz BSEYUONPYZMMRH-HQJQHLMTSA-N 1 0 256.252 0.275 10 0 CCAERO O=C(c1cccc(F)c1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000370018750 144287790 /nfs/dbraw/zinc/28/77/90/144287790.db2.gz JKAIXBCZKHYIRP-NEPJUHHUSA-N 1 0 250.273 0.639 10 0 CCAERO COc1ncc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)s1 ZINC000392924300 397513591 /nfs/dbraw/zinc/51/35/91/397513591.db2.gz LKTCZLCVWKBEDL-IONNQARKSA-N 1 0 255.343 0.908 10 0 CCAERO Cc1nc(C2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)no1 ZINC000371487530 144334074 /nfs/dbraw/zinc/33/40/74/144334074.db2.gz GIPZDPDIHYHQGW-CYBMUJFWSA-N 1 0 291.355 0.815 10 0 CCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCC(=O)NCC1CC1 ZINC000393172288 397513126 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CN1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CCC1=O ZINC000659374168 413458820 /nfs/dbraw/zinc/45/88/20/413458820.db2.gz HZWSZVKTOYBCTQ-WDEREUQCSA-N 1 0 253.346 0.052 10 0 CCAERO CO[C@@H](CNC(=O)C1([NH3+])CCOCC1)C1CCCC1 ZINC000659382028 413462148 /nfs/dbraw/zinc/46/21/48/413462148.db2.gz LWUIXOCEFQKAOD-LBPRGKRZSA-N 1 0 270.373 0.816 10 0 CCAERO COc1cccc(NC(=O)Cn2cc(C[NH3+])nn2)c1 ZINC000050224591 411676942 /nfs/dbraw/zinc/67/69/42/411676942.db2.gz RAKWPWVJRNJRAB-UHFFFAOYSA-N 1 0 261.285 0.384 10 0 CCAERO Cc1ccccc1CN(C)C(=O)Cn1cc(C[NH3+])nn1 ZINC000050224273 411677220 /nfs/dbraw/zinc/67/72/20/411677220.db2.gz XZQNUSFZNZMASC-UHFFFAOYSA-N 1 0 273.340 0.704 10 0 CCAERO COc1ccc(NC(=O)[C@@H](C)n2cc(C[NH3+])nn2)cc1 ZINC000062272117 411688532 /nfs/dbraw/zinc/68/85/32/411688532.db2.gz AZNRDHGOIDJFIA-SECBINFHSA-N 1 0 275.312 0.945 10 0 CCAERO CCCCNC(=O)[C@H](C)n1cc(C(C)(C)[NH3+])nn1 ZINC000070117978 411690556 /nfs/dbraw/zinc/69/05/56/411690556.db2.gz JHQDLZNYDWJCDD-VIFPVBQESA-N 1 0 253.350 0.949 10 0 CCAERO CC(C)([NH3+])c1cn(CC(=O)NCc2ccco2)nn1 ZINC000070117893 411690744 /nfs/dbraw/zinc/69/07/44/411690744.db2.gz BTCHCMNZBRQESI-UHFFFAOYSA-N 1 0 263.301 0.381 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000311042647 411748163 /nfs/dbraw/zinc/74/81/63/411748163.db2.gz ZSEYTYVKKAHSTP-WPRPVWTQSA-N 1 0 268.279 0.886 10 0 CCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000311903179 411751702 /nfs/dbraw/zinc/75/17/02/411751702.db2.gz ATIDFGNIXKWSCP-BXKDBHETSA-N 1 0 282.365 0.652 10 0 CCAERO COc1c(C[NH2+]CC[C@@]2(O)CCOC2)c(C)nn1C ZINC000404183998 411793813 /nfs/dbraw/zinc/79/38/13/411793813.db2.gz ILTGICFRIITNRJ-CYBMUJFWSA-N 1 0 269.345 0.368 10 0 CCAERO CC(C)(C(=O)NCCc1ccccn1)N1CC[NH2+]CC1 ZINC000129592688 411720287 /nfs/dbraw/zinc/72/02/87/411720287.db2.gz FERILHCICMZGGQ-UHFFFAOYSA-N 1 0 276.384 0.424 10 0 CCAERO NC(=O)C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000019437018 170800400 /nfs/dbraw/zinc/80/04/00/170800400.db2.gz DLMNLAHKCOEWQK-RWMBFGLXSA-N 1 0 279.384 0.631 10 0 CCAERO C[C@@H]1CCC[C@@H](C(=O)Nc2cccc(S(N)(=O)=O)c2)[NH2+]1 ZINC000019438505 170801089 /nfs/dbraw/zinc/80/10/89/170801089.db2.gz GGWURAXVBMZDEU-SKDRFNHKSA-N 1 0 297.380 0.803 10 0 CCAERO O=C(Nc1ccc2c(c1)C(=O)NC2=O)[C@@H]1CCCC[NH2+]1 ZINC000019967226 170949092 /nfs/dbraw/zinc/94/90/92/170949092.db2.gz SDTYFGZAOKGVFP-NSHDSACASA-N 1 0 273.292 0.651 10 0 CCAERO COc1ccc(CC[NH2+]CCN2CCNC2=O)cc1 ZINC000020044696 170977121 /nfs/dbraw/zinc/97/71/21/170977121.db2.gz FFDUUZVZYGQKGS-UHFFFAOYSA-N 1 0 263.341 0.853 10 0 CCAERO CC(=O)NCC[NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000020185113 171047719 /nfs/dbraw/zinc/04/77/19/171047719.db2.gz UFCMWHFJXFMMFV-QMMMGPOBSA-N 1 0 262.313 0.643 10 0 CCAERO COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C[NH3+] ZINC000020189925 171056448 /nfs/dbraw/zinc/05/64/48/171056448.db2.gz ZFGXWEWEUSXHEN-UHFFFAOYSA-N 1 0 299.396 0.090 10 0 CCAERO COc1ccc(N(CCC[NH3+])S(=O)(=O)N(C)C)cc1 ZINC000020233801 171095371 /nfs/dbraw/zinc/09/53/71/171095371.db2.gz QLGRCBXZWLIIGV-UHFFFAOYSA-N 1 0 287.385 0.657 10 0 CCAERO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCc1ccccc1F ZINC000020302956 171140320 /nfs/dbraw/zinc/14/03/20/171140320.db2.gz LVTSASRPWBBOLA-SECBINFHSA-N 1 0 267.304 0.802 10 0 CCAERO CC[NH+](CC)CCCN[C@H](C)C(=O)NCCOC ZINC000020316021 171146053 /nfs/dbraw/zinc/14/60/53/171146053.db2.gz FHLOJAOHFABYHY-GFCCVEGCSA-N 1 0 259.394 0.459 10 0 CCAERO COc1ccccc1OCCS(=O)(=O)CC[NH3+] ZINC000020399465 171181828 /nfs/dbraw/zinc/18/18/28/171181828.db2.gz OLUGWYXNUTXEEJ-UHFFFAOYSA-N 1 0 259.327 0.448 10 0 CCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CC(=O)N(C)Cc2ccccc2)C1 ZINC000284639121 196100921 /nfs/dbraw/zinc/10/09/21/196100921.db2.gz OLZBSBLSEAINGU-LSDHHAIUSA-N 1 0 292.379 0.727 10 0 CCAERO C[C@@H](C(=O)N1CCCC[C@H]1CCO)N1CC[NH2+]CC1 ZINC000020521348 171234650 /nfs/dbraw/zinc/23/46/50/171234650.db2.gz SSHRZCXVQBULQY-STQMWFEESA-N 1 0 269.389 0.044 10 0 CCAERO COc1cc(OC)c([C@@H]([NH3+])CC(N)=O)cc1OC ZINC000020578004 171256396 /nfs/dbraw/zinc/25/63/96/171256396.db2.gz IHSHTGFMGMGKIR-QMMMGPOBSA-N 1 0 254.286 0.588 10 0 CCAERO C[C@H]([NH2+]CC(N)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000021959695 171342502 /nfs/dbraw/zinc/34/25/02/171342502.db2.gz HSKIVBSCLAMONG-QMMMGPOBSA-N 1 0 256.327 0.226 10 0 CCAERO C[C@H]([NH2+]CC(N)=O)c1ccc2c(c1)OCCCO2 ZINC000022143370 171355976 /nfs/dbraw/zinc/35/59/76/171355976.db2.gz CKNFPTXZJUJVDU-VIFPVBQESA-N 1 0 250.298 0.984 10 0 CCAERO [NH3+]Cc1ccccc1S(=O)(=O)NC[C@H]1CCCO1 ZINC000022169860 171367812 /nfs/dbraw/zinc/36/78/12/171367812.db2.gz YDGFEEWDBFTMRR-LLVKDONJSA-N 1 0 270.354 0.603 10 0 CCAERO O[C@]1(c2cn[nH]n2)CC[N@H+](CCc2ccccn2)C1 ZINC000284794547 196133865 /nfs/dbraw/zinc/13/38/65/196133865.db2.gz LUUFGNRKDQHAQV-CYBMUJFWSA-N 1 0 259.313 0.336 10 0 CCAERO NC(=O)[C@]1(O)CCC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000284813494 196137203 /nfs/dbraw/zinc/13/72/03/196137203.db2.gz LBUIWJFDURNOSG-INIZCTEOSA-N 1 0 274.364 0.988 10 0 CCAERO CC(C)[NH2+][C@@H](C)[C@@H](O)COc1ccc(CC(N)=O)cc1 ZINC000028768309 171574083 /nfs/dbraw/zinc/57/40/83/171574083.db2.gz RWRAVQOQABNTDY-FZMZJTMJSA-N 1 0 280.368 0.841 10 0 CCAERO C[C@@H](Cn1ccnc1)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653111612 412224083 /nfs/dbraw/zinc/22/40/83/412224083.db2.gz UROBTCKMZXTXSA-IVZWLZJFSA-N 1 0 290.289 0.786 10 0 CCAERO Cc1ocnc1CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653130347 412235172 /nfs/dbraw/zinc/23/51/72/412235172.db2.gz FZOZSEYBVKLNFE-HTQZYQBOSA-N 1 0 277.246 0.997 10 0 CCAERO CN(Cc1nccn1C)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653148308 412242264 /nfs/dbraw/zinc/24/22/64/412242264.db2.gz WQNVJQCXQRYRCS-RKDXNWHRSA-N 1 0 290.289 0.776 10 0 CCAERO CCC1(O)CCN(C(=O)[C@]2(COC)CCC[NH2+]2)CC1 ZINC000653174467 412252497 /nfs/dbraw/zinc/25/24/97/412252497.db2.gz JSACRQLCCJYXPF-CQSZACIVSA-N 1 0 270.373 0.519 10 0 CCAERO Nc1ncc(S(=O)(=O)NCCC[NH+]2CCCCC2)cn1 ZINC000033074060 171769990 /nfs/dbraw/zinc/76/99/90/171769990.db2.gz CLTMFVQLMVDCPJ-UHFFFAOYSA-N 1 0 299.400 0.213 10 0 CCAERO CCNC(=O)COc1ccc(C[NH2+]C)cc1OC ZINC000034652340 171847549 /nfs/dbraw/zinc/84/75/49/171847549.db2.gz UYVJJHOKISIIBS-UHFFFAOYSA-N 1 0 252.314 0.930 10 0 CCAERO CCN(CC)S(=O)(=O)N(CCC[NH3+])C(C)C ZINC000034960204 171905302 /nfs/dbraw/zinc/90/53/02/171905302.db2.gz ONYRTEMMQZRAHX-UHFFFAOYSA-N 1 0 251.396 0.632 10 0 CCAERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)C(=O)N1CCOCC1 ZINC000035056234 171959624 /nfs/dbraw/zinc/95/96/24/171959624.db2.gz YVUXHKZASCRBQR-SDDRHHMPSA-N 1 0 256.346 0.391 10 0 CCAERO CNC(=O)[C@@H](C)[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000035138291 172005670 /nfs/dbraw/zinc/00/56/70/172005670.db2.gz HHWUDIDRLIVHIN-SECBINFHSA-N 1 0 252.314 0.928 10 0 CCAERO CNC(=O)NC(=O)[C@H](C)[NH2+]CCc1cccc(F)c1 ZINC000035142964 172009001 /nfs/dbraw/zinc/00/90/01/172009001.db2.gz SHMFCZBUUKJBNY-VIFPVBQESA-N 1 0 267.304 0.802 10 0 CCAERO CCC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CC(=O)NC1CC1 ZINC000035207195 172051657 /nfs/dbraw/zinc/05/16/57/172051657.db2.gz FGVDIONLGWXNLO-NXEZZACHSA-N 1 0 255.362 0.548 10 0 CCAERO CCCCCNC(=O)[C@@H](C)[NH2+]CC(=O)NC(C)C ZINC000035207159 172051882 /nfs/dbraw/zinc/05/18/82/172051882.db2.gz BPZRDCXISLGLRE-LLVKDONJSA-N 1 0 257.378 0.796 10 0 CCAERO COCCNS(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000035679152 172349619 /nfs/dbraw/zinc/34/96/19/172349619.db2.gz VGJXZMNIWOCENX-UHFFFAOYSA-N 1 0 264.372 0.174 10 0 CCAERO [NH3+][C@H]1CC[C@@H]2CN(C(=O)CCn3ccnn3)C[C@@H]2C1 ZINC000036261660 172554399 /nfs/dbraw/zinc/55/43/99/172554399.db2.gz LMURLBFFYXRSLC-WOPDTQHZSA-N 1 0 263.345 0.254 10 0 CCAERO Nc1nc2nc[nH]c2c(OCc2cccc(C[NH3+])c2)n1 ZINC000036294315 172589307 /nfs/dbraw/zinc/58/93/07/172589307.db2.gz VHRDYCCJQBXLBG-UHFFFAOYSA-N 1 0 270.296 0.973 10 0 CCAERO O=C([C@@H]1CCC[NH2+]1)N1CCN(Cc2ccco2)CC1 ZINC000037497735 173236667 /nfs/dbraw/zinc/23/66/67/173236667.db2.gz ZYLJRCFNOVAAGL-ZDUSSCGKSA-N 1 0 263.341 0.676 10 0 CCAERO C[C@@]([NH2+]C1CC1)(C(N)=O)c1ccc2c(c1)OCCO2 ZINC000037514558 173246222 /nfs/dbraw/zinc/24/62/22/173246222.db2.gz FRUCWAOZBRPDMI-AWEZNQCLSA-N 1 0 262.309 0.910 10 0 CCAERO CCN(C(=O)CNC(=O)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000037539851 173261707 /nfs/dbraw/zinc/26/17/07/173261707.db2.gz MARXHAZRHVGOIS-CYBMUJFWSA-N 1 0 275.352 0.627 10 0 CCAERO COc1cccc(CC[NH3+])c1OCC(=O)N(C)C ZINC000037721599 173639874 /nfs/dbraw/zinc/63/98/74/173639874.db2.gz ZUOCKKGPWUJKHR-UHFFFAOYSA-N 1 0 252.314 0.663 10 0 CCAERO COc1ccc(C[C@@H](C)[NH3+])cc1O[C@H](C)C(N)=O ZINC000037728189 173647691 /nfs/dbraw/zinc/64/76/91/173647691.db2.gz NMUILHQPRDSFJB-RKDXNWHRSA-N 1 0 252.314 0.838 10 0 CCAERO [NH3+]CC1(NS(=O)(=O)c2cn[nH]c2)CCCCCC1 ZINC000037744296 173665861 /nfs/dbraw/zinc/66/58/61/173665861.db2.gz NVBVNFUDBAJASS-UHFFFAOYSA-N 1 0 272.374 0.740 10 0 CCAERO CCCN([C@H]1CCC[NH2+]C1)S(=O)(=O)c1cn[nH]c1 ZINC000037744460 173666743 /nfs/dbraw/zinc/66/67/43/173666743.db2.gz HEGVYYXMWONUGL-JTQLQIEISA-N 1 0 272.374 0.562 10 0 CCAERO CC[C@@H](CC(F)F)C[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000660520100 414374874 /nfs/dbraw/zinc/37/48/74/414374874.db2.gz DBKIMPFFGHLDCN-JOYOIKCWSA-N 1 0 264.316 0.980 10 0 CCAERO CN(CCOc1ccccc1F)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000037802456 173741193 /nfs/dbraw/zinc/74/11/93/173741193.db2.gz OGOWUSOYNUHLHH-JQWIXIFHSA-N 1 0 282.315 0.386 10 0 CCAERO CCOC(=O)[C@H]1CSCCN1C(=O)C[C@H](C)[NH3+] ZINC000037803885 173743494 /nfs/dbraw/zinc/74/34/94/173743494.db2.gz ZBYVSYSJZNSQDL-DTWKUNHWSA-N 1 0 260.359 0.231 10 0 CCAERO CN(Cc1nnc2n1CCC2)C(=O)C1CC[NH2+]CC1 ZINC000037818489 173769662 /nfs/dbraw/zinc/76/96/62/173769662.db2.gz NSDMATHJAIYTJH-UHFFFAOYSA-N 1 0 263.345 0.182 10 0 CCAERO CN(Cc1nnc2n1CCC2)C(=O)[C@](C)([NH3+])C1CC1 ZINC000037818549 173769716 /nfs/dbraw/zinc/76/97/16/173769716.db2.gz JSTYKYYTVPESAK-CYBMUJFWSA-N 1 0 263.345 0.310 10 0 CCAERO CCC[NH2+]Cc1ccc(S(=O)(=O)N(C)CCO)cc1 ZINC000037899698 173828419 /nfs/dbraw/zinc/82/84/19/173828419.db2.gz XDCNHCVUDZTTNI-UHFFFAOYSA-N 1 0 286.397 0.799 10 0 CCAERO CCN1CC[C@H]([N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)C1=O ZINC000660805376 414485906 /nfs/dbraw/zinc/48/59/06/414485906.db2.gz BPILJCRJMWYGMD-RVMXOQNASA-N 1 0 252.358 0.700 10 0 CCAERO CNC(=O)NC1CC[NH+](C[C@H]2CCC[C@H](O)C2)CC1 ZINC000660810331 414488192 /nfs/dbraw/zinc/48/81/92/414488192.db2.gz MQHCEGMKGKKGGP-AAEUAGOBSA-N 1 0 269.389 0.931 10 0 CCAERO CN(CC(=O)N1CC[NH2+]CC1)C[C@H](O)c1ccccc1 ZINC000038031597 174026161 /nfs/dbraw/zinc/02/61/61/174026161.db2.gz MGGHFTHKNBAUOG-AWEZNQCLSA-N 1 0 277.368 0.084 10 0 CCAERO CN(CC(=O)N1CC[NH2+]CC1)c1nncc2ccccc21 ZINC000038031662 174027312 /nfs/dbraw/zinc/02/73/12/174027312.db2.gz CYNHGYBLNCLHLU-UHFFFAOYSA-N 1 0 285.351 0.498 10 0 CCAERO O=C(Nc1ncccn1)[C@H]1CCCN1C1CC[NH2+]CC1 ZINC000038042966 174048589 /nfs/dbraw/zinc/04/85/89/174048589.db2.gz WWTSJZVKUFEATO-GFCCVEGCSA-N 1 0 275.356 0.632 10 0 CCAERO C[C@@H]([NH2+]CCCS(C)(=O)=O)[C@H]1CCCN(C)C1 ZINC000038047495 174057778 /nfs/dbraw/zinc/05/77/78/174057778.db2.gz UFDHLLGCXREQTE-NEPJUHHUSA-N 1 0 262.419 0.741 10 0 CCAERO CCCCNC(=O)[C@@H](C)[NH2+]CCCS(C)(=O)=O ZINC000038048119 174058397 /nfs/dbraw/zinc/05/83/97/174058397.db2.gz OJUNREQXRGBTDW-SNVBAGLBSA-N 1 0 264.391 0.316 10 0 CCAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1ccccc1 ZINC000038049231 174059725 /nfs/dbraw/zinc/05/97/25/174059725.db2.gz RQHJWUOGRTXUAD-OLZOCXBDSA-N 1 0 275.352 0.803 10 0 CCAERO C[C@@H]([NH2+]C[C@@H]1COCCO1)C(=O)N1CCCCCC1 ZINC000038061865 174073152 /nfs/dbraw/zinc/07/31/52/174073152.db2.gz SNXWKHCKHVCZHN-CHWSQXEVSA-N 1 0 270.373 0.783 10 0 CCAERO [NH3+]C1CCC(C(=O)NC[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000038083682 174093462 /nfs/dbraw/zinc/09/34/62/174093462.db2.gz DGSFWJAHLNIYOH-WHXUTIOJSA-N 1 0 274.386 0.055 10 0 CCAERO COc1cccc(CC[NH3+])c1O[C@@H]1CCS(=O)(=O)C1 ZINC000038085535 174096204 /nfs/dbraw/zinc/09/62/04/174096204.db2.gz QFSFSZTTYGNYGI-LLVKDONJSA-N 1 0 285.365 0.762 10 0 CCAERO CCN(CC)C(=O)C[NH2+]C1CCC(C(N)=O)CC1 ZINC000038092053 174105684 /nfs/dbraw/zinc/10/56/84/174105684.db2.gz LOLLDNWEHVNXES-UHFFFAOYSA-N 1 0 255.362 0.489 10 0 CCAERO C[C@@H](Cc1ccco1)[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000038092503 174106470 /nfs/dbraw/zinc/10/64/70/174106470.db2.gz BIGNAYADVDAILP-QWHCGFSZSA-N 1 0 268.357 0.493 10 0 CCAERO O=C(N[C@H]1C[C@H]2C[C@@H]1C[NH2+]2)c1cn2ccnc2cn1 ZINC000039073360 174162426 /nfs/dbraw/zinc/16/24/26/174162426.db2.gz DLPDHRFGOZMCHA-BBBLOLIVSA-N 1 0 257.297 0.210 10 0 CCAERO CCNc1nc[nH+]c(NN2CCN(C)CC2)c1N ZINC000040707304 174379821 /nfs/dbraw/zinc/37/98/21/174379821.db2.gz VCOKUKLPLHIWRO-UHFFFAOYSA-N 1 0 251.338 0.065 10 0 CCAERO CC(C)n1nnnc1CN1C[C@@H](C)[C@](C)(CO)C1 ZINC000662132788 414691712 /nfs/dbraw/zinc/69/17/12/414691712.db2.gz BDDYPHAISDGJOG-PWSUYJOCSA-N 1 0 253.350 0.704 10 0 CCAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1c(Cl)cnn1C ZINC000662774072 414781110 /nfs/dbraw/zinc/78/11/10/414781110.db2.gz LDANOXZSTIYGSF-APPZFPTMSA-N 1 0 256.737 0.944 10 0 CCAERO COCc1csc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000662563413 414728855 /nfs/dbraw/zinc/72/88/55/414728855.db2.gz OISALXNYAXJNCR-UWVGGRQHSA-N 1 0 270.354 0.205 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)NCCO[C@H]1CC1(F)F ZINC000662648064 414736990 /nfs/dbraw/zinc/73/69/90/414736990.db2.gz WHTQCXVLUUZQFF-BDAKNGLRSA-N 1 0 250.289 0.900 10 0 CCAERO CN1C[C@H](CNC(=O)[C@@H]([NH3+])CC2CCCCC2)CC1=O ZINC000662693291 414741987 /nfs/dbraw/zinc/74/19/87/414741987.db2.gz JAULUQNSGUPGOK-STQMWFEESA-N 1 0 281.400 0.879 10 0 CCAERO [NH3+]CC1(C(=O)N[C@H](CO)C2CCC2)CCOCC1 ZINC000662853534 414844411 /nfs/dbraw/zinc/84/44/11/414844411.db2.gz PZJPMELRBSITLQ-LLVKDONJSA-N 1 0 256.346 0.019 10 0 CCAERO CN(CC1=CCCOC1)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000662872972 414857803 /nfs/dbraw/zinc/85/78/03/414857803.db2.gz RRYZUYXIFZWBMT-LBPRGKRZSA-N 1 0 254.330 0.028 10 0 CCAERO C[C@@H]1CCC[C@H](CNC(=O)[C@@H]2C[NH2+]CCOC2)O1 ZINC000662875043 414860191 /nfs/dbraw/zinc/86/01/91/414860191.db2.gz NHKBPXKZLXDXFW-IJLUTSLNSA-N 1 0 256.346 0.296 10 0 CCAERO O=C([C@H]1C[NH2+]CCOC1)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000662948736 414910246 /nfs/dbraw/zinc/91/02/46/414910246.db2.gz BEAIQKPFPZVOLM-UWVGGRQHSA-N 1 0 296.289 0.402 10 0 CCAERO C[NH2+][C@H](C)C(=O)N1CCO[C@H](CC(F)(F)F)C1 ZINC000662951683 414913889 /nfs/dbraw/zinc/91/38/89/414913889.db2.gz VQMROQQPTPGKLK-HTQZYQBOSA-N 1 0 254.252 0.774 10 0 CCAERO Cc1cc(C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)nn1C ZINC000662978596 414931250 /nfs/dbraw/zinc/93/12/50/414931250.db2.gz HCCWINCYADGJQZ-QMMMGPOBSA-N 1 0 264.251 0.690 10 0 CCAERO CN(C(=O)Cc1ccncc1)[C@H](C[NH3+])C(F)(F)F ZINC000662986346 414935435 /nfs/dbraw/zinc/93/54/35/414935435.db2.gz LQNQLEALYLOAIW-SECBINFHSA-N 1 0 261.247 0.972 10 0 CCAERO CC[NH2+]Cc1cnn([C@H]2CCS(=O)(=O)C2)c1C ZINC000042355433 174694177 /nfs/dbraw/zinc/69/41/77/174694177.db2.gz GYYGGNTVTVQIGW-NSHDSACASA-N 1 0 257.359 0.661 10 0 CCAERO CNC(=O)[C@H]1CCCN1c1nnc(C)c(C)c1C[NH3+] ZINC000042390779 174706442 /nfs/dbraw/zinc/70/64/42/174706442.db2.gz MVUNIXWZMZNAKO-LLVKDONJSA-N 1 0 263.345 0.267 10 0 CCAERO O=C([C@@H]1[NH2+]CCc2ccccc21)N1CCS(=O)CC1 ZINC000043512784 175060984 /nfs/dbraw/zinc/06/09/84/175060984.db2.gz JXBZQCHDARFPTP-CYBMUJFWSA-N 1 0 278.377 0.464 10 0 CCAERO O=C(CC[C@H]1CCC[NH2+]C1)NC[C@@H]1CCS(=O)(=O)C1 ZINC000043590442 175073350 /nfs/dbraw/zinc/07/33/50/175073350.db2.gz ZMPXKYIGHMCUJI-NEPJUHHUSA-N 1 0 288.413 0.317 10 0 CCAERO CS(=O)(=O)c1ccc(CN2C[C@@H]([NH3+])CC2=O)cc1 ZINC000045174008 175322970 /nfs/dbraw/zinc/32/29/70/175322970.db2.gz REBDOEYLGCCJOM-JTQLQIEISA-N 1 0 268.338 0.150 10 0 CCAERO CCN([C@](C)(CC)C[NH3+])S(=O)(=O)CCCOC ZINC000071233585 176092709 /nfs/dbraw/zinc/09/27/09/176092709.db2.gz KDJKRDZAJXKQAY-LLVKDONJSA-N 1 0 266.407 0.802 10 0 CCAERO [NH3+]Cc1cc(F)ccc1CN1C(=O)COCC1=O ZINC000071263862 176096856 /nfs/dbraw/zinc/09/68/56/176096856.db2.gz AYYMXFHKQUULFR-UHFFFAOYSA-N 1 0 252.245 0.170 10 0 CCAERO CCCN(c1ccc(S(N)(=O)=O)cn1)[C@@H]1CC[NH2+]C1 ZINC000071332733 176126013 /nfs/dbraw/zinc/12/60/13/176126013.db2.gz HHLHKXNAPZBVFZ-SNVBAGLBSA-N 1 0 284.385 0.307 10 0 CCAERO C[N@H+](CCNS(=O)(=O)c1cn[nH]c1)C1CCCC1 ZINC000071379862 176144024 /nfs/dbraw/zinc/14/40/24/176144024.db2.gz VWWQTMPLTCTVFN-UHFFFAOYSA-N 1 0 272.374 0.562 10 0 CCAERO CCN([C@@H]1CCS(=O)(=O)C1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000071586916 176213691 /nfs/dbraw/zinc/21/36/91/176213691.db2.gz CVVMFMUUJLERNJ-IJLUTSLNSA-N 1 0 260.403 0.623 10 0 CCAERO COc1ccc(CC[C@@H](CO)N2CC[NH2+]CC2)cc1 ZINC000071596938 176220290 /nfs/dbraw/zinc/22/02/90/176220290.db2.gz JOPLJNOAEODULA-AWEZNQCLSA-N 1 0 264.369 0.894 10 0 CCAERO CNC(=O)[C@H](CC[NH3+])c1ccc(OC)c(OC)c1 ZINC000076656336 177046003 /nfs/dbraw/zinc/04/60/03/177046003.db2.gz VGQYFSLDADRIHU-SNVBAGLBSA-N 1 0 252.314 0.882 10 0 CCAERO CNC(=O)[C@H](CC[NH3+])c1ccc(OC)cc1OC ZINC000076656346 177046012 /nfs/dbraw/zinc/04/60/12/177046012.db2.gz RMQPYZNVFJMMCU-LLVKDONJSA-N 1 0 252.314 0.882 10 0 CCAERO CCC[C@H](CC[NH3+])C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000076675160 177055628 /nfs/dbraw/zinc/05/56/28/177055628.db2.gz QZYLMDUBKNFKAW-ZJUUUORDSA-N 1 0 262.375 0.055 10 0 CCAERO [NH3+]CC[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccccn1 ZINC000076678139 177056962 /nfs/dbraw/zinc/05/69/62/177056962.db2.gz ZVEQWSPAVLBTCM-NWDGAFQWSA-N 1 0 263.341 0.809 10 0 CCAERO CC(C)C[C@H](C[NH3+])CCC(=O)N1CCN(C=O)CC1 ZINC000076707801 177066364 /nfs/dbraw/zinc/06/63/64/177066364.db2.gz PIPOKOPUBKYJOJ-CYBMUJFWSA-N 1 0 269.389 0.688 10 0 CCAERO CCCCN1C[C@H](CCN2CC[NH2+]CC2)OC1=O ZINC000077610786 177286930 /nfs/dbraw/zinc/28/69/30/177286930.db2.gz VMDOIEZHHQZAPN-LBPRGKRZSA-N 1 0 255.362 0.903 10 0 CCAERO CS(=O)(=O)c1cnn([C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000725251769 545877178 /nfs/dbraw/zinc/87/71/78/545877178.db2.gz GVMGUJZZVYQZOK-ONGXEEELSA-N 1 0 257.359 0.977 10 0 CCAERO CS(=O)(=O)c1cnn(Cc2ccnc(C(N)=[NH2+])c2)c1 ZINC000725252796 545878579 /nfs/dbraw/zinc/87/85/79/545878579.db2.gz XLMKAIRZEQOMOV-UHFFFAOYSA-N 1 0 279.325 0.014 10 0 CCAERO CC[C@H](CC(=[NH2+])NO)n1cc(S(C)(=O)=O)cn1 ZINC000725252807 545878753 /nfs/dbraw/zinc/87/87/53/545878753.db2.gz XXBPOMWTCGHDRZ-SSDOTTSWSA-N 1 0 260.319 0.584 10 0 CCAERO CC[NH2+]Cc1nnn(CCF)c1-c1ccnn1C ZINC000725256897 545880474 /nfs/dbraw/zinc/88/04/74/545880474.db2.gz CPWAQDOLAJHKNY-UHFFFAOYSA-N 1 0 252.297 0.758 10 0 CCAERO CC[NH2+][C@H]1CCC[C@@H]1n1cc(S(C)(=O)=O)cn1 ZINC000725252957 545879025 /nfs/dbraw/zinc/87/90/25/545879025.db2.gz PYFCXZWIRKPVJT-QWRGUYRKSA-N 1 0 257.359 0.990 10 0 CCAERO COCC(=O)N1CC[C@H]([NH3+])[C@@H](C(F)(F)F)CC1 ZINC000725262872 545883573 /nfs/dbraw/zinc/88/35/73/545883573.db2.gz PZAQQPUIQWBHSZ-YUMQZZPRSA-N 1 0 254.252 0.761 10 0 CCAERO O=C1C[C@H]([N@@H+]2CCC[C@H](CO)C2)C[C@@H](C(F)(F)F)N1 ZINC000725263212 545883576 /nfs/dbraw/zinc/88/35/76/545883576.db2.gz XDSYFIITQPAQTN-AEJSXWLSSA-N 1 0 280.290 0.900 10 0 CCAERO C[C@@H]1CN([C@@H]2CC(=O)N[C@H](C(F)(F)F)C2)CC[NH2+]1 ZINC000725263013 545883741 /nfs/dbraw/zinc/88/37/41/545883741.db2.gz BVBYVEXADHSSTF-VGMNWLOBSA-N 1 0 265.279 0.490 10 0 CCAERO OCC[N@H+](Cc1ccccc1)[C@H]1CCOC[C@@H]1O ZINC000725272856 545888755 /nfs/dbraw/zinc/88/87/55/545888755.db2.gz NQLHNPGFZRXCPB-KBPBESRZSA-N 1 0 251.326 0.631 10 0 CCAERO CNC(=O)[C@H]1CCCN1C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054291801 544443452 /nfs/dbraw/zinc/44/34/52/544443452.db2.gz JCHUXONJBZHULK-GHMZBOCLSA-N 1 0 253.346 0.113 10 0 CCAERO C[C@H]1CC(NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)C[C@H](C)C1 ZINC000084978161 544493770 /nfs/dbraw/zinc/49/37/70/544493770.db2.gz AULHOUHJVLBAHA-CKYFFXLPSA-N 1 0 290.429 0.689 10 0 CCAERO COC[C@H](C)[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696081 544543010 /nfs/dbraw/zinc/54/30/10/544543010.db2.gz IDYUUVPMOUXBSK-QWRGUYRKSA-N 1 0 264.391 0.283 10 0 CCAERO COC[C@H](C)[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696083 544543164 /nfs/dbraw/zinc/54/31/64/544543164.db2.gz IDYUUVPMOUXBSK-WDEREUQCSA-N 1 0 264.391 0.283 10 0 CCAERO CCCN(CC(=O)NC)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089458344 544514984 /nfs/dbraw/zinc/51/49/84/544514984.db2.gz PDFLSWWJIQYZBS-WDEREUQCSA-N 1 0 255.362 0.346 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCN(c2cnccn2)CC1 ZINC000089457356 544515105 /nfs/dbraw/zinc/51/51/05/544515105.db2.gz BZBLUINQDRNUPQ-STQMWFEESA-N 1 0 289.383 0.500 10 0 CCAERO [NH3+]CCc1nc(C(=O)NCC[C@@H]2CCCO2)cs1 ZINC000090951062 544525366 /nfs/dbraw/zinc/52/53/66/544525366.db2.gz ZJXNPPMGQVDHOI-VIFPVBQESA-N 1 0 269.370 0.943 10 0 CCAERO CCC(=O)N1CCCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000091544658 544528576 /nfs/dbraw/zinc/52/85/76/544528576.db2.gz JTNXNBAREQCVOC-VXGBXAGGSA-N 1 0 267.373 0.585 10 0 CCAERO CC1(OCC(=O)N2CCO[C@@H]3CCCC[C@H]32)C[NH2+]C1 ZINC000098061138 544555040 /nfs/dbraw/zinc/55/50/40/544555040.db2.gz KUDZFVFGPBJABL-VXGBXAGGSA-N 1 0 268.357 0.535 10 0 CCAERO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC[C@@H]2C(=O)NC)C1 ZINC000121075747 544574868 /nfs/dbraw/zinc/57/48/68/544574868.db2.gz VMDMWBRLLQHDRD-QWHCGFSZSA-N 1 0 296.415 0.638 10 0 CCAERO CC[C@@H]1CN(Cc2cncnc2)CC[N@@H+]1C[C@@H](C)O ZINC000120678463 544572781 /nfs/dbraw/zinc/57/27/81/544572781.db2.gz XEMUCTGHAXCODS-TZMCWYRMSA-N 1 0 264.373 0.754 10 0 CCAERO CC(C)(C)NC(=O)CCNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000135365393 544635255 /nfs/dbraw/zinc/63/52/55/544635255.db2.gz HSZFAHMSUNVDHV-QWRGUYRKSA-N 1 0 269.389 0.782 10 0 CCAERO C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000147357679 544644895 /nfs/dbraw/zinc/64/48/95/544644895.db2.gz AMJLNXWJDDYCFE-JOYOIKCWSA-N 1 0 270.354 0.601 10 0 CCAERO C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000149443509 544648178 /nfs/dbraw/zinc/64/81/78/544648178.db2.gz GGFLIUBQBCFGIC-IONNQARKSA-N 1 0 260.315 0.194 10 0 CCAERO C[C@H]([NH3+])[C@H]1CN(C(=O)c2ccc(N(C)C)cc2)CCO1 ZINC000156439056 544678191 /nfs/dbraw/zinc/67/81/91/544678191.db2.gz BUSMXICJHDIDHP-SMDDNHRTSA-N 1 0 277.368 0.941 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)CC(=O)N1CCCC1 ZINC000136398691 544639239 /nfs/dbraw/zinc/63/92/39/544639239.db2.gz IYHJLENQEAOPLN-NSHDSACASA-N 1 0 255.362 0.441 10 0 CCAERO Cc1nc2c([nH]1)C[C@@H](C(=O)N(CCO)C1CC1)CC2 ZINC000164962087 544722223 /nfs/dbraw/zinc/72/22/23/544722223.db2.gz KRJWRSRCBLZJMX-JTQLQIEISA-N 1 0 263.341 0.806 10 0 CCAERO C[C@@H]1C[N@H+](Cc2cncnc2)C[C@@H]1N1CCOCC1 ZINC000180224280 544752734 /nfs/dbraw/zinc/75/27/34/544752734.db2.gz USZUQZCRYKMPDS-OCCSQVGLSA-N 1 0 262.357 0.629 10 0 CCAERO COCCCS(=O)(=O)NCC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000183198740 544766222 /nfs/dbraw/zinc/76/62/22/544766222.db2.gz YWPCDKWOLZESQL-RYUDHWBXSA-N 1 0 294.417 0.099 10 0 CCAERO CNC(=O)[C@H]([NH2+]CC(=O)Nc1cc(C)nn1C)C(C)C ZINC000183684623 544769959 /nfs/dbraw/zinc/76/99/59/544769959.db2.gz BEPBGWJUHNINKQ-GFCCVEGCSA-N 1 0 281.360 0.027 10 0 CCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1CCC(=O)N1C ZINC000187375126 544780916 /nfs/dbraw/zinc/78/09/16/544780916.db2.gz RVPAHQHBFAFNNE-VXGBXAGGSA-N 1 0 269.389 0.700 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1cc[nH]n1 ZINC000177014373 544741367 /nfs/dbraw/zinc/74/13/67/544741367.db2.gz QPQIFVOJEMYSKC-GFCCVEGCSA-N 1 0 250.346 0.895 10 0 CCAERO CC(=O)NCC1CCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000227424518 544834324 /nfs/dbraw/zinc/83/43/24/544834324.db2.gz PGWVEHXKAVONEZ-KGLIPLIRSA-N 1 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300315426 /nfs/dbraw/zinc/31/54/26/300315426.db2.gz XUUAIHOSUJQJFR-NWDGAFQWSA-N 1 0 260.403 0.590 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N1CCOCC1 ZINC000247062317 300318170 /nfs/dbraw/zinc/31/81/70/300318170.db2.gz HHUZOEFGKBJJRM-RYUDHWBXSA-N 1 0 253.346 0.607 10 0 CCAERO O=S1(=O)CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2CO)C1 ZINC000223779228 304790524 /nfs/dbraw/zinc/79/05/24/304790524.db2.gz RMXBUENLFPXRER-GRYCIOLGSA-N 1 0 261.387 0.704 10 0 CCAERO CCn1cc(CNC(=O)C[C@H]2CCC[NH2+]C2)nn1 ZINC000404416622 545091333 /nfs/dbraw/zinc/09/13/33/545091333.db2.gz OHZVUTMAIYBVOO-SNVBAGLBSA-N 1 0 251.334 0.304 10 0 CCAERO CCn1cc(CNC(=O)[C@H]2CCC[NH2+][C@@H]2C)nn1 ZINC000404470268 545091431 /nfs/dbraw/zinc/09/14/31/545091431.db2.gz YHWQSPXSBJYTSU-KOLCDFICSA-N 1 0 251.334 0.302 10 0 CCAERO C[C@H](CS(C)(=O)=O)N(C)C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000583078683 329310854 /nfs/dbraw/zinc/31/08/54/329310854.db2.gz YMTOKHDFHUNRQM-GMTAPVOTSA-N 1 0 276.402 0.266 10 0 CCAERO CCN1C[C@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC1=O ZINC000391748672 328980366 /nfs/dbraw/zinc/98/03/66/328980366.db2.gz YKMAINKDWFXEFH-GMTAPVOTSA-N 1 0 253.346 0.112 10 0 CCAERO c1csc(-c2noc(CN3CCO[C@@H]4C[NH2+]C[C@@H]43)n2)c1 ZINC000572827179 334881668 /nfs/dbraw/zinc/88/16/68/334881668.db2.gz YZDMMXOBUBQRKW-VHSXEESVSA-N 1 0 292.364 0.971 10 0 CCAERO CC(C)[N@H+]1C[C@H](NC(=O)CCn2ccnn2)[C@@H](C)C1 ZINC000177137618 335366895 /nfs/dbraw/zinc/36/68/95/335366895.db2.gz OTFVVCXKAYZEMC-RYUDHWBXSA-N 1 0 265.361 0.513 10 0 CCAERO O=C(NCCCOCC(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000178399760 335429482 /nfs/dbraw/zinc/42/94/82/335429482.db2.gz FSGLKSKQUBMASJ-QMMMGPOBSA-N 1 0 254.252 0.681 10 0 CCAERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCN1C(=O)NC(C)(C)C1=O ZINC000384958025 336135028 /nfs/dbraw/zinc/13/50/28/336135028.db2.gz WFRRGWKRISEDKM-ZJUUUORDSA-N 1 0 269.345 0.162 10 0 CCAERO CC(C)[NH2+]CCCS(=O)(=O)N1CCCN(C)CC1 ZINC000049631686 519721063 /nfs/dbraw/zinc/72/10/63/519721063.db2.gz DMQGDBUHHMASGB-UHFFFAOYSA-N 1 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1 0 260.378 0.884 10 0 CCAERO C[NH2+]CCS(=O)(=O)N(C)Cc1cccc(F)c1 ZINC000049630084 522011265 /nfs/dbraw/zinc/01/12/65/522011265.db2.gz ZXYXMMPZXZCRAV-UHFFFAOYSA-N 1 0 260.334 0.807 10 0 CCAERO CC(C)CN(CC(N)=O)C(=O)C[C@H]1CCC[C@H]([NH3+])C1 ZINC000055138604 519714134 /nfs/dbraw/zinc/71/41/34/519714134.db2.gz BWQGFPPPFDVPAE-RYUDHWBXSA-N 1 0 269.389 0.864 10 0 CCAERO CC(C)NS(=O)(=O)c1ccc(OC2C[NH2+]C2)cc1 ZINC000062810107 519733315 /nfs/dbraw/zinc/73/33/15/519733315.db2.gz GEHBZYORUXDHEA-UHFFFAOYSA-N 1 0 270.354 0.724 10 0 CCAERO CCN(C(=O)[C@H]1COCCO1)c1ccc(C[NH3+])cc1 ZINC000055297151 520053564 /nfs/dbraw/zinc/05/35/64/520053564.db2.gz XWVCODYXYMPPMP-CYBMUJFWSA-N 1 0 264.325 0.914 10 0 CCAERO CC[NH2+][C@@H](C)CC(=O)N(C)Cc1nnc2n1CCC2 ZINC000061272505 520060173 /nfs/dbraw/zinc/06/01/73/520060173.db2.gz IFUQQEFYFUOPKK-JTQLQIEISA-N 1 0 265.361 0.571 10 0 CCAERO CC[NH2+][C@@H](C)CC(=O)N(CC(=O)OCC)C1CC1 ZINC000061272772 520060058 /nfs/dbraw/zinc/06/00/58/520060058.db2.gz RXDPEMGCVOHFST-JTQLQIEISA-N 1 0 256.346 0.929 10 0 CCAERO CCCN[C@H](CC[N@@H+]1CCCOCC1)C(=O)OC ZINC000062533441 520074123 /nfs/dbraw/zinc/07/41/23/520074123.db2.gz FQNNRDMVTHMMII-GFCCVEGCSA-N 1 0 258.362 0.640 10 0 CCAERO CCCN[C@H](CCN1CC[NH+](C)CC1)C(=O)OCC ZINC000062440471 520074142 /nfs/dbraw/zinc/07/41/42/520074142.db2.gz CKZBXONQFFCPKN-CYBMUJFWSA-N 1 0 271.405 0.555 10 0 CCAERO CCN[C@H](CC[N@H+](C)[C@@H](C)COC)C(=O)OCC ZINC000062457757 520187534 /nfs/dbraw/zinc/18/75/34/520187534.db2.gz UZPADTGYYTYYTF-NWDGAFQWSA-N 1 0 260.378 0.884 10 0 CCAERO CCNC(=O)CN(CC)C(=O)C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000055135237 521736301 /nfs/dbraw/zinc/73/63/01/521736301.db2.gz FYUHGHHQNVHGJA-NWDGAFQWSA-N 1 0 269.389 0.879 10 0 CCAERO CCNC(=O)[C@H](C)NC(=O)[C@@]1(CC)CCC[NH2+]C1 ZINC000062854094 521745299 /nfs/dbraw/zinc/74/52/99/521745299.db2.gz MUHYUKPAZDPIQR-GWCFXTLKSA-N 1 0 255.362 0.407 10 0 CCAERO CC[C@H](C)[C@@H](C)[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000183056494 521821376 /nfs/dbraw/zinc/82/13/76/521821376.db2.gz JCHQUZRZWGADQC-TUAOUCFPSA-N 1 0 269.389 0.735 10 0 CCAERO CC[C@@H](C)[NH+]1CCN(CCn2cc(N)cn2)CC1 ZINC000055063542 522121501 /nfs/dbraw/zinc/12/15/01/522121501.db2.gz IKPQFOIJVMBUBB-GFCCVEGCSA-N 1 0 251.378 0.881 10 0 CCAERO CC[C@H]([NH2+]CC(=O)N1CCNC(=O)C1)c1cccs1 ZINC000184089811 522567065 /nfs/dbraw/zinc/56/70/65/522567065.db2.gz PLMYEPZKVHCCRX-JTQLQIEISA-N 1 0 281.381 0.747 10 0 CCAERO COC1CC[NH+](CC[C@@H]([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000062447938 522703575 /nfs/dbraw/zinc/70/35/75/522703575.db2.gz GMPRYRVTEXCSGR-GFCCVEGCSA-N 1 0 256.346 0.693 10 0 CCAERO COC[C@H](O)CN(C)C(=O)C[C@H]1CCC[C@H]([NH3+])C1 ZINC000055141804 522783537 /nfs/dbraw/zinc/78/35/37/522783537.db2.gz QVWKXGQRHCKQBT-SDDRHHMPSA-N 1 0 258.362 0.360 10 0 CCAERO CC[C@@H]([NH2+]CC(=O)N1CCNC(=O)C1)c1cccs1 ZINC000184089830 522815305 /nfs/dbraw/zinc/81/53/05/522815305.db2.gz PLMYEPZKVHCCRX-SNVBAGLBSA-N 1 0 281.381 0.747 10 0 CCAERO CN(Cc1ccc(F)cc1)[C@@H]1CS(=O)(=O)C[C@@H]1[NH3+] ZINC000054493680 523253474 /nfs/dbraw/zinc/25/34/74/523253474.db2.gz ZJXZBAWRFMOUGH-NWDGAFQWSA-N 1 0 272.345 0.382 10 0 CCAERO COCCC[N@H+](CCOC)CC1(CO)CCOCC1 ZINC000052199689 523254622 /nfs/dbraw/zinc/25/46/22/523254622.db2.gz FDBNRXFJWFXXMF-UHFFFAOYSA-N 1 0 275.389 0.760 10 0 CCAERO CCn1ccnc(N2CCC[C@@H](C[NH2+]C)C2)c1=O ZINC000061767678 523504743 /nfs/dbraw/zinc/50/47/43/523504743.db2.gz ZIKHYWASEMXUGH-NSHDSACASA-N 1 0 250.346 0.699 10 0 CCAERO CN1CCCN(S(=O)(=O)C[C@@H]2CCCC[NH2+]2)CC1 ZINC000049630492 523810297 /nfs/dbraw/zinc/81/02/97/523810297.db2.gz CLJWEUOLYDCGRE-LBPRGKRZSA-N 1 0 275.418 0.096 10 0 CCAERO COCCNC(=O)COc1cccc2c1CC[C@H]2[NH3+] ZINC000062798313 523899240 /nfs/dbraw/zinc/89/92/40/523899240.db2.gz FOXAYPYETHZUQL-GFCCVEGCSA-N 1 0 264.325 0.774 10 0 CCAERO CN1CCN(CCOc2ccc(CC[NH3+])cc2)C1=O ZINC000052885483 523903062 /nfs/dbraw/zinc/90/30/62/523903062.db2.gz ONLVXBHQGYYHNB-UHFFFAOYSA-N 1 0 263.341 0.934 10 0 CCAERO COCC[NH2+]CC1CCN(c2ccncn2)CC1 ZINC000053691835 523936208 /nfs/dbraw/zinc/93/62/08/523936208.db2.gz MMJVFJDCCQRYAL-UHFFFAOYSA-N 1 0 250.346 0.929 10 0 CCAERO CC[C@H](C)[NH+]1CCN(C(=O)c2[nH]nc(C)c2N)CC1 ZINC000055063772 523950769 /nfs/dbraw/zinc/95/07/69/523950769.db2.gz LFDFYPCCWMBFTC-VIFPVBQESA-N 1 0 265.361 0.857 10 0 CCAERO CN(C)C(=O)CCNC(=O)[C@H]1CCC[C@H](C[NH3+])C1 ZINC000055161826 523982159 /nfs/dbraw/zinc/98/21/59/523982159.db2.gz MUQNLJDYVCWINX-QWRGUYRKSA-N 1 0 255.362 0.346 10 0 CCAERO C[NH+](C)C1CCN(C(=O)Cn2ccc(N)n2)CC1 ZINC000050466467 524038332 /nfs/dbraw/zinc/03/83/32/524038332.db2.gz JILGLRGLEHNJOY-UHFFFAOYSA-N 1 0 251.334 0.018 10 0 CCAERO C[C@H](CN1CCCCC1)[NH2+][C@H](C)C(=O)NC(N)=O ZINC000049501539 524334010 /nfs/dbraw/zinc/33/40/10/524334010.db2.gz QMXBXWIVYOWMRB-NXEZZACHSA-N 1 0 256.350 0.034 10 0 CCAERO C[C@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)N1CCC[C@@H]1C(N)=O ZINC000055125866 524415004 /nfs/dbraw/zinc/41/50/04/524415004.db2.gz FIVMLEIHQUZYFV-XWLWVQCSSA-N 1 0 253.346 0.226 10 0 CCAERO C[C@@H](CN1CCOCC1)[NH2+]CCOCC(F)(F)F ZINC000049504495 524628853 /nfs/dbraw/zinc/62/88/53/524628853.db2.gz RVCVPWWCKJAXDD-JTQLQIEISA-N 1 0 270.295 0.876 10 0 CCAERO COc1nc(N[C@@H]2CCCCC[C@H]2[NH3+])nc(OC)n1 ZINC000063214527 524989023 /nfs/dbraw/zinc/98/90/23/524989023.db2.gz GFFNWCMBYMCVMC-RKDXNWHRSA-N 1 0 267.333 0.961 10 0 CCAERO Cc1cc(F)ccc1[C@@H](C(N)=O)N1CC[NH2+]CC1 ZINC000050579685 525002074 /nfs/dbraw/zinc/00/20/74/525002074.db2.gz LBCKFGBUYIFBHH-LBPRGKRZSA-N 1 0 251.305 0.566 10 0 CCAERO C[C@@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)C(=O)N(C)C ZINC000079481397 525159191 /nfs/dbraw/zinc/15/91/91/525159191.db2.gz GEJQWYSZDGJSLM-GFCCVEGCSA-N 1 0 296.415 0.733 10 0 CCAERO C[C@@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)N1CCC[C@@H]1C(N)=O ZINC000055125881 525245927 /nfs/dbraw/zinc/24/59/27/525245927.db2.gz WUYZUTGXSWGHJO-VPOLOUISSA-N 1 0 253.346 0.226 10 0 CCAERO Cc1cc(NS(=O)(=O)CC[NH2+]C(C)C)n(C)n1 ZINC000049641560 525285097 /nfs/dbraw/zinc/28/50/97/525285097.db2.gz TZMHNADFOKPQSQ-UHFFFAOYSA-N 1 0 260.363 0.468 10 0 CCAERO C[C@@H]([NH2+]CC(=O)NCc1cccnc1)[C@@H]1CCCO1 ZINC000183123826 525411729 /nfs/dbraw/zinc/41/17/29/525411729.db2.gz UDKROSCJSDZBAT-YPMHNXCESA-N 1 0 263.341 0.855 10 0 CCAERO Cc1c(C[NH2+]C[C@@H]2CCCS2(=O)=O)cnn1C ZINC000156655964 525723943 /nfs/dbraw/zinc/72/39/43/525723943.db2.gz OSQYTZVZPJSWMW-NSHDSACASA-N 1 0 257.359 0.395 10 0 CCAERO CC(C)(C)c1ncc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)s1 ZINC000262380925 534912523 /nfs/dbraw/zinc/91/25/23/534912523.db2.gz XBGBPYRCBFRXTA-BDAKNGLRSA-N 1 0 283.397 0.751 10 0 CCAERO Cc1cc(C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)[nH]n1 ZINC000368948424 526245536 /nfs/dbraw/zinc/24/55/36/526245536.db2.gz CIRYBUYTMZLTJV-NSHDSACASA-N 1 0 266.345 0.247 10 0 CCAERO O[C@H](C[NH2+][C@H]1CCN2CCC[C@H]12)Cn1cccn1 ZINC000049567277 526282456 /nfs/dbraw/zinc/28/24/56/526282456.db2.gz RYZWQMAKPRHWAH-FRRDWIJNSA-N 1 0 250.346 0.070 10 0 CCAERO Cc1oc(CN(C)[C@H]2CCS(=O)(=O)C2)cc1C[NH3+] ZINC000052482805 526769531 /nfs/dbraw/zinc/76/95/31/526769531.db2.gz YQGACXQMUFVQEH-NSHDSACASA-N 1 0 272.370 0.666 10 0 CCAERO Cc1nc(CNC(=O)[C@H](C)N2CC[NH2+]CC2)cs1 ZINC000049539378 526882794 /nfs/dbraw/zinc/88/27/94/526882794.db2.gz QFMLDZKJRQIFGY-VIFPVBQESA-N 1 0 268.386 0.361 10 0 CCAERO Cc1nc(N2CC[NH+](C)CC2)[nH]c(=O)c1C(C)C ZINC000061688308 526967099 /nfs/dbraw/zinc/96/70/99/526967099.db2.gz WDSLOYNLJQOQBE-UHFFFAOYSA-N 1 0 250.346 0.954 10 0 CCAERO NC(=O)[C@H]1CCCN1C(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050940914 527004122 /nfs/dbraw/zinc/00/41/22/527004122.db2.gz HZYRHJUKEGJVPY-WDEREUQCSA-N 1 0 253.346 0.385 10 0 CCAERO [NH3+]C[C@@]1([C@@H]2CS(=O)(=O)c3ccccc32)CCOC1 ZINC000054637652 527222191 /nfs/dbraw/zinc/22/21/91/527222191.db2.gz XAWNJFDKBPCTFK-YPMHNXCESA-N 1 0 267.350 0.923 10 0 CCAERO [NH3+][C@@H]1CCC[C@@H](CC(=O)N[C@@H]2CCCNC2=O)C1 ZINC000055131484 527349616 /nfs/dbraw/zinc/34/96/16/527349616.db2.gz BGVXWHALBRKTBC-GMTAPVOTSA-N 1 0 253.346 0.289 10 0 CCAERO NS(=O)(=O)c1ccc(N[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000063177672 527352883 /nfs/dbraw/zinc/35/28/83/527352883.db2.gz YPPRIXJZLHMILA-MNOVXSKESA-N 1 0 255.343 0.626 10 0 CCAERO O=S1(=O)CCC[C@@H]1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667910630 545158426 /nfs/dbraw/zinc/15/84/26/545158426.db2.gz VDGNSLZMOZYWFB-UTUOFQBUSA-N 1 0 259.371 0.721 10 0 CCAERO Nc1cc2c(cc1C[N@@H+]1CC[C@H](O)C1)OCCO2 ZINC000061709713 527461540 /nfs/dbraw/zinc/46/15/40/527461540.db2.gz DCJDEVBVHAWGDY-JTQLQIEISA-N 1 0 250.298 0.607 10 0 CCAERO COCC(=O)N[C@@H](C[NH3+])C(F)(F)C(F)(F)F ZINC000669380265 545206359 /nfs/dbraw/zinc/20/63/59/545206359.db2.gz JOAMQWNDZRRQCQ-BYPYZUCNSA-N 1 0 250.167 0.274 10 0 CCAERO CC(C)(C)[C@@H](NC(=O)CCCCCC[NH3+])C(N)=O ZINC000262610610 535051663 /nfs/dbraw/zinc/05/16/63/535051663.db2.gz CYHZPHSTNMKLCW-NSHDSACASA-N 1 0 257.378 0.912 10 0 CCAERO CC(C)(NC(=O)Nc1ccccc1)C(=O)NCC1C[NH2+]C1 ZINC000262002787 535229555 /nfs/dbraw/zinc/22/95/55/535229555.db2.gz HITAPJWZSKIMEF-UHFFFAOYSA-N 1 0 290.367 0.922 10 0 CCAERO CC(C)(C)NC(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC000675054943 545320401 /nfs/dbraw/zinc/32/04/01/545320401.db2.gz LXAYPEAZKXECPW-UHFFFAOYSA-N 1 0 255.362 0.947 10 0 CCAERO [NH3+]Cc1nnn(C2CC[NH+](C3CC3)CC2)c1C(=O)[O-] ZINC000675054982 545320594 /nfs/dbraw/zinc/32/05/94/545320594.db2.gz XQQSKHGMAUEKKF-UHFFFAOYSA-N 1 0 265.317 0.234 10 0 CCAERO CS(=O)(=O)N1CCOc2ccccc2[C@H]1C[NH3+] ZINC000675057964 545320644 /nfs/dbraw/zinc/32/06/44/545320644.db2.gz OLWOZDPYBSRYRI-SNVBAGLBSA-N 1 0 256.327 0.340 10 0 CCAERO COCC(=O)N([C@H](CC[NH3+])C(F)(F)F)C1CC1 ZINC000675056758 545320724 /nfs/dbraw/zinc/32/07/24/545320724.db2.gz PGDPKRVKXSJMDT-MRVPVSSYSA-N 1 0 254.252 0.904 10 0 CCAERO CC[C@@H](C)[NH2+]Cc1cnn(C(C)C)c1S(N)(=O)=O ZINC000675075483 545321132 /nfs/dbraw/zinc/32/11/32/545321132.db2.gz PJJKHNRZJOFEIQ-SECBINFHSA-N 1 0 274.390 1.000 10 0 CCAERO CC1(C)CN(C(=O)[C@@H]2CSC(=O)N2)CC[C@@H]1[NH3+] ZINC000261784968 535345231 /nfs/dbraw/zinc/34/52/31/535345231.db2.gz GHNPYVHDNREQIT-YUMQZZPRSA-N 1 0 257.359 0.397 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CNC(=O)C1 ZINC000253549546 535873591 /nfs/dbraw/zinc/87/35/91/535873591.db2.gz SVFXVBCNFIJZKT-QJPTWQEYSA-N 1 0 265.357 0.208 10 0 CCAERO C[NH2+][C@H](C)CNC(=O)Cc1csc(-c2cnccn2)n1 ZINC000261684761 536392990 /nfs/dbraw/zinc/39/29/90/536392990.db2.gz HXKYKPCFAOTLDJ-SECBINFHSA-N 1 0 291.380 0.867 10 0 CCAERO C[NH2+][C@H](C)Cc1noc([C@H](C)N2CCOCC2)n1 ZINC000261650863 536405905 /nfs/dbraw/zinc/40/59/05/536405905.db2.gz DWPYTQPAWUJUGI-ZJUUUORDSA-N 1 0 254.334 0.613 10 0 CCAERO COc1ccccc1/C=C/CNC[C@H]1C[NH2+]C[C@H]1O ZINC000263143954 536981192 /nfs/dbraw/zinc/98/11/92/536981192.db2.gz CMWKMBIDSVQBJF-CNPQOGTOSA-N 1 0 262.353 0.878 10 0 CCAERO O=C1CCC[C@@H]2[C@H]3C[C@@H](CN12)[C@H]1C[C@@H](O)CC[N@@H+]1C3 ZINC000085531107 560073289 /nfs/dbraw/zinc/07/32/89/560073289.db2.gz JVYKIBAJVKEZSQ-QSLWVIQJSA-N 1 0 264.369 0.843 10 0 biogenic,in-vitro CCAERO C[C@H]([NH2+]C1CCN(CCO)CC1)[C@@H]1CCCOC1 ZINC000399212877 581208341 /nfs/dbraw/zinc/20/83/41/581208341.db2.gz YMMGBNBUFMRBMF-QWHCGFSZSA-N 1 0 256.390 0.848 10 0 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MCYCDIPHBVRQTJ-MRVPVSSYSA-N 1 0 272.312 0.661 10 0 CCAERO C[C@@H](NC(=O)[C@H]1CC(F)(F)CN1)C(=O)N1CCCCC1 ZINC000262734943 137051979 /nfs/dbraw/zinc/05/19/79/137051979.db2.gz CAKOTIQDAWUFAZ-NXEZZACHSA-N 1 0 289.326 0.501 10 0 CCAERO CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000261712360 137016335 /nfs/dbraw/zinc/01/63/35/137016335.db2.gz GHZCBMOELUTJQO-MVWJERBFSA-N 1 0 285.413 0.494 10 0 CCAERO [NH3+]C[C@H]1CC[C@@H](C(=O)NCCNC(=O)CC2CCCC2)O1 ZINC000261804222 137021007 /nfs/dbraw/zinc/02/10/07/137021007.db2.gz HBXPWJJLQRRWQO-OLZOCXBDSA-N 1 0 297.399 0.305 10 0 CCAERO C[C@@H]([NH3+])CC(=O)N[C@@H]1CCN(C(=O)c2ccccn2)C1 ZINC000261805151 137021206 /nfs/dbraw/zinc/02/12/06/137021206.db2.gz FYKFYDAUYLMYMW-GHMZBOCLSA-N 1 0 276.340 0.150 10 0 CCAERO O=C(CC[C@H]1CCC[NH2+]1)N1CC[C@H](N2CCOCC2)C1 ZINC000261856051 137022689 /nfs/dbraw/zinc/02/26/89/137022689.db2.gz XFNHDHCCSQOYSV-KGLIPLIRSA-N 1 0 281.400 0.452 10 0 CCAERO Cc1cnc(N)c(S(=O)(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261869897 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262.353 0.488 10 0 CCAERO O=C(CCOc1ccc(Cl)cc1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262285501 137035472 /nfs/dbraw/zinc/03/54/72/137035472.db2.gz OGALXOLCQAZVEE-ZWNOBZJWSA-N 1 0 298.770 0.805 10 0 CCAERO Cc1noc(C)c1CSCC(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262298332 137035761 /nfs/dbraw/zinc/03/57/61/137035761.db2.gz PJMQLTQYRUIATC-ZYHUDNBSSA-N 1 0 299.396 0.221 10 0 CCAERO Cc1ccccc1NCCC(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262295698 137035908 /nfs/dbraw/zinc/03/59/08/137035908.db2.gz PBFXATUGFLDBET-OCCSQVGLSA-N 1 0 277.368 0.494 10 0 CCAERO Cc1ccccc1NCCC(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262295699 137036097 /nfs/dbraw/zinc/03/60/97/137036097.db2.gz PBFXATUGFLDBET-TZMCWYRMSA-N 1 0 277.368 0.494 10 0 CCAERO O=S(=O)(NC[C@@H]1CC[NH2+]C1)c1cn2c(n1)CCCC2 ZINC000262313773 137037192 /nfs/dbraw/zinc/03/71/92/137037192.db2.gz PMBMEXRXTHGQMK-SNVBAGLBSA-N 1 0 284.385 0.107 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccccc1Cl ZINC000262317791 137037345 /nfs/dbraw/zinc/03/73/45/137037345.db2.gz 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/nfs/dbraw/zinc/06/02/65/137060265.db2.gz LBUCOZCSCFGIIQ-JSGCOSHPSA-N 1 0 287.367 0.152 10 0 CCAERO CN1CC[NH2+]C[C@H]1c1noc(CCn2cccn2)n1 ZINC000263219369 137060597 /nfs/dbraw/zinc/06/05/97/137060597.db2.gz LNVNBCWZHZNBCX-JTQLQIEISA-N 1 0 262.317 0.085 10 0 CCAERO C[C@@H]([NH2+]C[C@H](C)CO)c1ccc(S(N)(=O)=O)cc1 ZINC000086628969 179313693 /nfs/dbraw/zinc/31/36/93/179313693.db2.gz KRPKVYIVTFDJIR-VHSXEESVSA-N 1 0 272.370 0.613 10 0 CCAERO O=C1NCCCN1C1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000120292196 349979743 /nfs/dbraw/zinc/97/97/43/349979743.db2.gz FSTXQBFUYCMQOG-ZDUSSCGKSA-N 1 0 294.399 0.535 10 0 CCAERO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCN(c2ccccc2)CC1 ZINC000020434191 348078138 /nfs/dbraw/zinc/07/81/38/348078138.db2.gz ZUHOWPXRHIODBQ-KGLIPLIRSA-N 1 0 275.352 0.058 10 0 CCAERO C[C@@H]([NH2+][C@H]1CCS(=O)(=O)C1)C(=O)N1CCCCCC1 ZINC000034937546 348152661 /nfs/dbraw/zinc/15/26/61/348152661.db2.gz LAFYTHXXIUBVNW-NEPJUHHUSA-N 1 0 288.413 0.554 10 0 CCAERO CCC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000037030284 348181330 /nfs/dbraw/zinc/18/13/30/348181330.db2.gz IEJMGQHQPMIKQK-NEPJUHHUSA-N 1 0 277.324 0.696 10 0 CCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2ccc(F)cc2)C1 ZINC000040630572 348239559 /nfs/dbraw/zinc/23/95/59/348239559.db2.gz CBYGYZRQPZBGGL-VXGBXAGGSA-N 1 0 252.289 0.819 10 0 CCAERO CC[C@@H](NC(=O)C(=O)N1CCC[NH2+]CC1)C(C)C ZINC000042595365 348286411 /nfs/dbraw/zinc/28/64/11/348286411.db2.gz MLTAXIDGBWQENG-LLVKDONJSA-N 1 0 255.362 0.359 10 0 CCAERO C[C@H]1CC[C@@H](C(=O)N2CCNC(=O)C2(C)C)C[NH2+]1 ZINC000104126790 185899155 /nfs/dbraw/zinc/89/91/55/185899155.db2.gz KVABKRZVEHNMTQ-VHSXEESVSA-N 1 0 253.346 0.112 10 0 CCAERO C[C@@H]1OCC[C@@H]1NC(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 ZINC000346329108 137279597 /nfs/dbraw/zinc/27/95/97/137279597.db2.gz JREOEXBBNYBWTB-BJDJZHNGSA-N 1 0 255.362 0.946 10 0 CCAERO CCC[NH2+][C@H](CCN1CC[N@H+](C)C(C)(C)C1)C(=O)[O-] ZINC000104129818 185902471 /nfs/dbraw/zinc/90/24/71/185902471.db2.gz UIMNTHZVNQNVKI-GFCCVEGCSA-N 1 0 271.405 0.855 10 0 CCAERO CCNC(=O)N1CC[C@@H](NC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000120543995 349992310 /nfs/dbraw/zinc/99/23/10/349992310.db2.gz PNQGZGRTCAPKNR-NEPJUHHUSA-N 1 0 297.403 0.136 10 0 CCAERO C[NH2+][C@H](C)C(=O)Nc1ccc(-n2cnnn2)c(C)c1 ZINC000054074362 348541505 /nfs/dbraw/zinc/54/15/05/348541505.db2.gz RUSSTJDQGRUHIH-SECBINFHSA-N 1 0 260.301 0.517 10 0 CCAERO O=C(C[C@H]1CCC[NH2+]C1)N1CCN(c2ncccn2)CC1 ZINC000054305629 348548651 /nfs/dbraw/zinc/54/86/51/348548651.db2.gz VHCAXRYASFECAE-CYBMUJFWSA-N 1 0 289.383 0.515 10 0 CCAERO C[NH2+][C@H](C)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000052395810 348508361 /nfs/dbraw/zinc/50/83/61/348508361.db2.gz VNFZUQBCDASUCP-ZJUUUORDSA-N 1 0 250.298 0.551 10 0 CCAERO CCOCCOCC(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000056986330 348599565 /nfs/dbraw/zinc/59/95/65/348599565.db2.gz KYSAUMSNWYFLSN-GFCCVEGCSA-N 1 0 258.362 0.640 10 0 CCAERO Cn1nc(CNCCC[NH2+]CCO)c(-c2ccccc2)n1 ZINC000057353467 348607971 /nfs/dbraw/zinc/60/79/71/348607971.db2.gz RZOYSDDYKCAMJJ-UHFFFAOYSA-N 1 0 289.383 0.544 10 0 CCAERO O=C(Nc1cc(F)c(F)c(F)c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000061119125 348650854 /nfs/dbraw/zinc/65/08/54/348650854.db2.gz IPWFNIUJVLCPQE-RCOVLWMOSA-N 1 0 260.215 0.765 10 0 CCAERO COC(=O)NCC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000061604192 348655655 /nfs/dbraw/zinc/65/56/55/348655655.db2.gz MTFDGGVHZZHHJD-UHFFFAOYSA-N 1 0 255.318 0.039 10 0 CCAERO C[C@@H](CNC(=O)C1=NNC(=O)CC1)C[NH+]1CCCC1 ZINC000058390786 348625785 /nfs/dbraw/zinc/62/57/85/348625785.db2.gz ZIMGLLVPXWVMLP-JTQLQIEISA-N 1 0 266.345 0.101 10 0 CCAERO Cc1cc(C[C@@H](C)NC(=O)CN2CCC[N@H+](C)CC2)[nH]n1 ZINC000065385407 348712511 /nfs/dbraw/zinc/71/25/11/348712511.db2.gz GMKVXMZUPHERHB-GFCCVEGCSA-N 1 0 293.415 0.403 10 0 CCAERO COCCC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000066074896 348732253 /nfs/dbraw/zinc/73/22/53/348732253.db2.gz KKUTZTRTKWVJJQ-GFCCVEGCSA-N 1 0 270.373 0.735 10 0 CCAERO CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000104214722 185933713 /nfs/dbraw/zinc/93/37/13/185933713.db2.gz PJBAJRUBOBHLOH-MXWKQRLJSA-N 1 0 255.362 0.119 10 0 CCAERO C[C@@H]1C[NH2+]C[C@H](C)N1CN1C(=O)c2ccccc2C1=O ZINC000069134244 348832298 /nfs/dbraw/zinc/83/22/98/348832298.db2.gz KQSLYDICDRXYCF-PHIMTYICSA-N 1 0 273.336 0.922 10 0 CCAERO C[C@H]1C[NH2+]C[C@H](C)N1CN1C(=O)c2ccccc2C1=O ZINC000069134245 348832689 /nfs/dbraw/zinc/83/26/89/348832689.db2.gz KQSLYDICDRXYCF-QWRGUYRKSA-N 1 0 273.336 0.922 10 0 CCAERO C[C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000104222219 185935258 /nfs/dbraw/zinc/93/52/58/185935258.db2.gz BKNUIQZTIGCWLA-ZMLRMANQSA-N 1 0 265.357 0.112 10 0 CCAERO NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000070573684 348892680 /nfs/dbraw/zinc/89/26/80/348892680.db2.gz XMJGYXHEFGNVQA-VHSXEESVSA-N 1 0 297.380 0.790 10 0 CCAERO CCc1noc(-c2ccc(N3CCC[NH2+]CC3)nn2)n1 ZINC000070458438 348890212 /nfs/dbraw/zinc/89/02/12/348890212.db2.gz REMIHOIBQJVYDM-UHFFFAOYSA-N 1 0 274.328 0.889 10 0 CCAERO COCc1nc2c(cnn2C)c(N2CC[NH2+][C@H](C)C2)n1 ZINC000072125460 348915193 /nfs/dbraw/zinc/91/51/93/348915193.db2.gz HGKRSRBQXBSDIM-SECBINFHSA-N 1 0 276.344 0.308 10 0 CCAERO CC(C)[C@H](C)NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000074193473 348978633 /nfs/dbraw/zinc/97/86/33/348978633.db2.gz WQTUCNRHRVGZRR-RYUDHWBXSA-N 1 0 269.389 0.557 10 0 CCAERO CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H]2C[C@@H]2C)CC1 ZINC000074660420 348997716 /nfs/dbraw/zinc/99/77/16/348997716.db2.gz RXLGATJRYWIFMQ-HZSPNIEDSA-N 1 0 282.432 0.968 10 0 CCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000078614533 349146432 /nfs/dbraw/zinc/14/64/32/349146432.db2.gz VKAYBFFRPHWXTR-CHWSQXEVSA-N 1 0 298.431 0.870 10 0 CCAERO CCNS(=O)(=O)c1ccc(N(CC[NH3+])C2CC2)cc1 ZINC000104324386 185969113 /nfs/dbraw/zinc/96/91/13/185969113.db2.gz VAHVOYWRTDGSGA-UHFFFAOYSA-N 1 0 283.397 0.912 10 0 CCAERO CCOC(=O)CCCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000081524308 349271792 /nfs/dbraw/zinc/27/17/92/349271792.db2.gz UFESLYANOZZEKO-LLVKDONJSA-N 1 0 256.346 0.836 10 0 CCAERO CCCc1nnsc1C(=O)NC1CC[NH2+]CC1 ZINC000087455386 349350410 /nfs/dbraw/zinc/35/04/10/349350410.db2.gz FJTHDWJDWOEOCK-UHFFFAOYSA-N 1 0 254.359 0.972 10 0 CCAERO O=C(Nc1cccc2c1CNC2=O)[C@H]1CCC[NH2+]C1 ZINC000089210904 349379232 /nfs/dbraw/zinc/37/92/32/349379232.db2.gz NBNIEGMRBPVPAN-VIFPVBQESA-N 1 0 259.309 0.868 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ncnn1C ZINC000091185397 180110749 /nfs/dbraw/zinc/11/07/49/180110749.db2.gz VWXOHGRMVWXQDY-NXEZZACHSA-N 1 0 264.333 0.516 10 0 CCAERO Cc1cc(=O)[nH]cc1C(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000130173191 350231576 /nfs/dbraw/zinc/23/15/76/350231576.db2.gz COEJQKKUABMGSE-GFCCVEGCSA-N 1 0 291.351 0.276 10 0 CCAERO CN(C(=O)C(C)(C)N1CC[NH2+]CC1)[C@@H]1CCSC1 ZINC000131212386 350268441 /nfs/dbraw/zinc/26/84/41/350268441.db2.gz XNPPCYVLRKRMPS-LLVKDONJSA-N 1 0 271.430 0.634 10 0 CCAERO C[C@H]1CN2CCCC[C@@H]2CN1C(=O)C1([NH3+])CCOCC1 ZINC000132280761 350302312 /nfs/dbraw/zinc/30/23/12/350302312.db2.gz ZNLMAECVIXDORZ-QWHCGFSZSA-N 1 0 281.400 0.580 10 0 CCAERO OCCOCCN1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000133012901 350322200 /nfs/dbraw/zinc/32/22/00/350322200.db2.gz FWHXPFLVNNPQOZ-CQSZACIVSA-N 1 0 256.390 0.946 10 0 CCAERO [NH3+]C[C@H]1CCCN1CN1C(=O)c2ccccc2C1=O ZINC000131850918 350289625 /nfs/dbraw/zinc/28/96/25/350289625.db2.gz BADSTUOGTZRCBQ-SNVBAGLBSA-N 1 0 259.309 0.663 10 0 CCAERO C[C@@H](NC(=O)NCC[NH+](C)C)c1nnc2n1CCCC2 ZINC000133898958 350348112 /nfs/dbraw/zinc/34/81/12/350348112.db2.gz HALVKQCQNGEFQS-SNVBAGLBSA-N 1 0 280.376 0.536 10 0 CCAERO COCC[N@@H+]1CCN(c2cncc(OCCO)n2)C[C@@H]1C ZINC000133327852 350332894 /nfs/dbraw/zinc/33/28/94/350332894.db2.gz IFOLLBMUPPMUNJ-LBPRGKRZSA-N 1 0 296.371 0.005 10 0 CCAERO CC1CC[NH+](CC(=O)N[C@@H]2CCc3ncnn3C2)CC1 ZINC000137248451 350434639 /nfs/dbraw/zinc/43/46/39/350434639.db2.gz HDDMAPSSDGOKNZ-GFCCVEGCSA-N 1 0 277.372 0.441 10 0 CCAERO CCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000105871872 186080694 /nfs/dbraw/zinc/08/06/94/186080694.db2.gz SHYXWRCCGJKPRA-WDEREUQCSA-N 1 0 265.361 0.487 10 0 CCAERO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@H]1CCc2ncnn2C1 ZINC000105871894 186081027 /nfs/dbraw/zinc/08/10/27/186081027.db2.gz OVIXNMSVVKJLPZ-PWSUYJOCSA-N 1 0 279.388 0.876 10 0 CCAERO C[C@@H](C(=O)N(C)C)[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000136069513 350413456 /nfs/dbraw/zinc/41/34/56/350413456.db2.gz URRIWDZTVKNACI-GJZGRUSLSA-N 1 0 296.459 0.565 10 0 CCAERO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCn1cc(C)cn1 ZINC000105881231 186083146 /nfs/dbraw/zinc/08/31/46/186083146.db2.gz XHZUWMKUGWZENL-SNVBAGLBSA-N 1 0 267.333 0.015 10 0 CCAERO CCNC(=O)CCN1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000105827029 186073514 /nfs/dbraw/zinc/07/35/14/186073514.db2.gz TVLISGAGHMDVGS-CHWSQXEVSA-N 1 0 271.405 0.290 10 0 CCAERO CCOC(=O)CCCN1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000105824644 186074528 /nfs/dbraw/zinc/07/45/28/186074528.db2.gz QUYHZVJIXMOEEG-CHWSQXEVSA-N 1 0 272.389 0.717 10 0 CCAERO CCOCC[N@@H+]1CCN(CC(=O)OC)C[C@@H]1CC ZINC000105915016 186089004 /nfs/dbraw/zinc/08/90/04/186089004.db2.gz YWMZHKZOTGRONY-LBPRGKRZSA-N 1 0 258.362 0.592 10 0 CCAERO C[C@H](C(=O)N1CCC(C)CC1)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105926309 186092137 /nfs/dbraw/zinc/09/21/37/186092137.db2.gz IZSHZMWKEOLFLE-HUUCEWRRSA-N 1 0 297.443 0.896 10 0 CCAERO CCC(CC)NC(=O)[C@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000105932890 186093018 /nfs/dbraw/zinc/09/30/18/186093018.db2.gz ROYRNYLJWVSXKD-AAEUAGOBSA-N 1 0 271.405 0.600 10 0 CCAERO C[NH+](C)C[C@@H]1CN(C(=O)CCCCc2c[nH]nn2)CCO1 ZINC000139355539 350446959 /nfs/dbraw/zinc/44/69/59/350446959.db2.gz BNGNTIHYVAOQSI-CYBMUJFWSA-N 1 0 295.387 0.307 10 0 CCAERO CC(C)(C)OC(=O)N1C[C@H]2CN(CC[NH3+])C[C@H]2C1 ZINC000144219707 350462855 /nfs/dbraw/zinc/46/28/55/350462855.db2.gz UHXAAMHNYFEJBS-PHIMTYICSA-N 1 0 255.362 0.744 10 0 CCAERO Cn1nc(C2C[NH2+]C2)cc1I ZINC000146509002 350466686 /nfs/dbraw/zinc/46/66/86/350466686.db2.gz ASFLRUPAJCADCA-UHFFFAOYSA-N 1 0 263.082 0.712 10 0 CCAERO CC[C@@H](O)C[NH+]1CCN([C@@H](C)c2nc(C)no2)CC1 ZINC000106386596 186112979 /nfs/dbraw/zinc/11/29/79/186112979.db2.gz CKZIBRPZFMTNFA-CMPLNLGQSA-N 1 0 268.361 0.828 10 0 CCAERO CN(C)C(=O)C1(N2CCCCC2=O)CC[NH2+]CC1 ZINC000146637565 350467142 /nfs/dbraw/zinc/46/71/42/350467142.db2.gz YLIKMJOLQOGPDY-UHFFFAOYSA-N 1 0 253.346 0.209 10 0 CCAERO CCC[C@H](C(=O)N(C)Cc1nc(CCOC)no1)[NH+](C)C ZINC000154358286 350585887 /nfs/dbraw/zinc/58/58/87/350585887.db2.gz XXFWWLMOVSLYRV-LLVKDONJSA-N 1 0 298.387 0.947 10 0 CCAERO Cc1cnn(C[C@H]2CN(C(=O)C[NH2+]C3CC3)CCO2)c1 ZINC000154656683 350595436 /nfs/dbraw/zinc/59/54/36/350595436.db2.gz XDJMDSDORGNUGU-CYBMUJFWSA-N 1 0 278.356 0.171 10 0 CCAERO CC(C)c1nnnn1CC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000155352078 350616724 /nfs/dbraw/zinc/61/67/24/350616724.db2.gz HWCHYZULMWNUGE-RYUDHWBXSA-N 1 0 294.403 0.641 10 0 CCAERO Cc1cc(Br)cn(C[C@@H](O)C[NH3+])c1=O ZINC000156922137 350637545 /nfs/dbraw/zinc/63/75/45/350637545.db2.gz BYGOBPXWRPKEOV-QMMMGPOBSA-N 1 0 261.119 0.239 10 0 CCAERO 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0.384 10 0 CCAERO C[C@@H]1SCC[N@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)[C@H]1C ZINC000246422321 285019009 /nfs/dbraw/zinc/01/90/09/285019009.db2.gz RVJLEJKCTRDJKV-SDDRHHMPSA-N 1 0 299.440 0.536 10 0 CCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@@H]2CCCO2)C[C@H]1C ZINC000246581301 285025944 /nfs/dbraw/zinc/02/59/44/285025944.db2.gz ABJIYCRBPHPXSK-AGIUHOORSA-N 1 0 270.373 0.469 10 0 CCAERO CC[C@@H]1CN(C(=O)COCC2CC2)CC[N@@H+]1C[C@H](C)O ZINC000246711085 285029871 /nfs/dbraw/zinc/02/98/71/285029871.db2.gz CUFGECMFTVVWPK-GXTWGEPZSA-N 1 0 284.400 0.717 10 0 CCAERO CC[C@@H]1CN(C(=O)[C@H]2CCCO2)CC[N@@H+]1C[C@@H](C)O ZINC000246785476 285032384 /nfs/dbraw/zinc/03/23/84/285032384.db2.gz JBLHOIKGZSEPLT-JHJVBQTASA-N 1 0 270.373 0.469 10 0 CCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cnns2)C1 ZINC000247316071 285047734 /nfs/dbraw/zinc/04/77/34/285047734.db2.gz MEVQRLRXZPTMBJ-DTWKUNHWSA-N 1 0 254.359 0.997 10 0 CCAERO C[C@H]1N(C(=O)NC[C@H]2CC[NH2+]C2)CCOC1(C)C ZINC000335284633 208101395 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C[C@H]1CN(C(=O)CN(C)C(=O)c2cccs2)C[C@@H]1[NH3+] ZINC000335379195 208319831 /nfs/dbraw/zinc/31/98/31/208319831.db2.gz HQKGMOZJTKMHAF-UWVGGRQHSA-N 1 0 281.381 0.626 10 0 CCAERO C[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)CC1CC(O)C1 ZINC000248978113 285094831 /nfs/dbraw/zinc/09/48/31/285094831.db2.gz UTMRTZYALYNFKA-NEXFUWMNSA-N 1 0 296.411 0.859 10 0 CCAERO CO[C@H](C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)c1cnn(C)c1 ZINC000281127465 195114044 /nfs/dbraw/zinc/11/40/44/195114044.db2.gz COYHVOQTMNCBDM-XBFCOCLRSA-N 1 0 292.383 0.803 10 0 CCAERO CC[C@@H]1C[N@H+](C[C@@](C)(O)CC)CCN1C[C@@H](C)O ZINC000249123847 285102715 /nfs/dbraw/zinc/10/27/15/285102715.db2.gz QJIMSCSIYALHNK-MCIONIFRSA-N 1 0 258.406 0.924 10 0 CCAERO C[C@H](O)CN1CC[N@H+](CC[C@H]2CCCO2)C[C@@H]1C ZINC000249383653 285113173 /nfs/dbraw/zinc/11/31/73/285113173.db2.gz QTTGIDYIYOKYRX-MELADBBJSA-N 1 0 256.390 0.942 10 0 CCAERO CCC(C)(C)NC(=O)C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000392901053 285205857 /nfs/dbraw/zinc/20/58/57/285205857.db2.gz 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CC[C@@H](O)C[NH+]1CCN([C@H](C)c2nc(C)cc(=O)[nH]2)CC1 ZINC000192604903 389045714 /nfs/dbraw/zinc/04/57/14/389045714.db2.gz HDNWASIUASFVRQ-CHWSQXEVSA-N 1 0 294.399 0.940 10 0 CCAERO C[N@@H+]1CCCN(C(=O)c2ccc3c(c2)NC(=O)C3)CC1 ZINC000225633828 389145792 /nfs/dbraw/zinc/14/57/92/389145792.db2.gz XRDDHBIYEHBYOA-UHFFFAOYSA-N 1 0 273.336 0.959 10 0 CCAERO CC(C)CC(=O)N[C@H](C(=O)NC[C@@H](C)[NH3+])C(C)C ZINC000194859848 389107489 /nfs/dbraw/zinc/10/74/89/389107489.db2.gz IQLIQWPGEXPAIH-PWSUYJOCSA-N 1 0 257.378 0.637 10 0 CCAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000329014482 389149299 /nfs/dbraw/zinc/14/92/99/389149299.db2.gz JLGLVWZGTOKSNU-WDEREUQCSA-N 1 0 277.372 0.320 10 0 CCAERO CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CCOC2)C[C@H]1CC ZINC000116770416 389134251 /nfs/dbraw/zinc/13/42/51/389134251.db2.gz ALAMRLJVJGFYFM-ZIAGYGMSSA-N 1 0 284.400 0.982 10 0 CCAERO CCOCC[N@@H+]1CCN(C(=O)N2CCOCC2)C[C@H]1CC ZINC000116927919 389134838 /nfs/dbraw/zinc/13/48/38/389134838.db2.gz 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CCAERO COC[C@]1(C(=O)N2CC[C@H](C)[C@H](OC)C2)CCC[NH2+]1 ZINC000643782044 390548028 /nfs/dbraw/zinc/54/80/28/390548028.db2.gz XFBWPJAPJJKUPH-SCRDCRAPSA-N 1 0 270.373 0.638 10 0 CCAERO CCc1nn(C)cc1NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643799496 390556762 /nfs/dbraw/zinc/55/67/62/390556762.db2.gz VMSSUMMTMOOMAO-SECBINFHSA-N 1 0 252.318 0.157 10 0 CCAERO C[C@@H]1CN(C(=O)c2ccc3c(c2)OCC(=O)N3)C[C@H]1[NH3+] ZINC000521042814 390593177 /nfs/dbraw/zinc/59/31/77/390593177.db2.gz SHFZASXRGHCZSI-PSASIEDQSA-N 1 0 275.308 0.437 10 0 CCAERO COC[C@H]([NH3+])C(=O)NC1CCC2(CCOCC2)CC1 ZINC000262199259 285384719 /nfs/dbraw/zinc/38/47/19/285384719.db2.gz CYLTZDHKOZUALC-LBPRGKRZSA-N 1 0 270.373 0.816 10 0 CCAERO CC(=O)N[C@H](C(=O)N[C@@H]1CCC[NH2+][C@H]1C)C(C)C ZINC000647017182 390757977 /nfs/dbraw/zinc/75/79/77/390757977.db2.gz XWNCFLNSNCDVFE-WCQGTBRESA-N 1 0 255.362 0.404 10 0 CCAERO Cc1cc(C)n2nc(C(=O)N3CC[C@H]([NH3+])[C@H]3C)nc2n1 ZINC000647044963 390764758 /nfs/dbraw/zinc/76/47/58/390764758.db2.gz VGZJXEWYESAZGJ-ZJUUUORDSA-N 1 0 274.328 0.303 10 0 CCAERO Cc1ccc(S(C)(=O)=O)cc1C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000647084312 390772162 /nfs/dbraw/zinc/77/21/62/390772162.db2.gz DWSDPAONKCITBX-GXFFZTMASA-N 1 0 296.392 0.818 10 0 CCAERO CN1CCO[C@@H](C[NH2+]Cc2ccnn2-c2ccccn2)C1 ZINC000647180233 390783323 /nfs/dbraw/zinc/78/33/23/390783323.db2.gz OJIXLZMICFEVRF-AWEZNQCLSA-N 1 0 287.367 0.688 10 0 CCAERO Cc1nc(NC[C@H]2C[NH2+]C[C@H]2O)ccc1Br ZINC000420254804 533597665 /nfs/dbraw/zinc/59/76/65/533597665.db2.gz RWHJAWMOSRTUBU-PSASIEDQSA-N 1 0 286.173 0.567 10 0 CCAERO CN1C[C@H](C[NH2+]Cc2cn(C(C)(C)C)nn2)CC1=O ZINC000657694573 413049374 /nfs/dbraw/zinc/04/93/74/413049374.db2.gz GBIODVMNIJPKRA-JTQLQIEISA-N 1 0 265.361 0.601 10 0 CCAERO CN1C[C@@H](C[NH2+]Cc2cccc(C(N)=O)c2)CC1=O ZINC000657695526 413049584 /nfs/dbraw/zinc/04/95/84/413049584.db2.gz AKHPZQGDHYPWML-LLVKDONJSA-N 1 0 261.325 0.353 10 0 CCAERO CCCn1nccc1C[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000657696913 413051210 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CCAERO CC[N@@H+]1CC[C@H](NCc2ccc(S(N)(=O)=O)o2)C1 ZINC000389223015 397509997 /nfs/dbraw/zinc/50/99/97/397509997.db2.gz GBUBEXYMCNLXJY-VIFPVBQESA-N 1 0 273.358 0.111 10 0 CCAERO CN(C)C(=O)CCCNC(=O)C1CCC([NH3+])CC1 ZINC000390341295 397512386 /nfs/dbraw/zinc/51/23/86/397512386.db2.gz JWLRZXBMZNFKOH-UHFFFAOYSA-N 1 0 255.362 0.489 10 0 CCAERO CC1CCC(O)(C[N@@H+]2CCO[C@H](Cn3cncn3)C2)CC1 ZINC000408222602 397523187 /nfs/dbraw/zinc/52/31/87/397523187.db2.gz DCXJCKNUBAGYDN-SLTAFYQDSA-N 1 0 294.399 0.920 10 0 CCAERO CCOC(=O)c1ccc(N2CC[NH+](CC)CC2)nn1 ZINC000409429853 397524447 /nfs/dbraw/zinc/52/44/47/397524447.db2.gz UAXYZHYUVMKYGP-UHFFFAOYSA-N 1 0 264.329 0.795 10 0 CCAERO CO[C@H]1C[C@@H](C(=O)N(C)C[C@@H]2CCCC[C@@H]2O)[N@H+](C)C1 ZINC000408045499 286080506 /nfs/dbraw/zinc/08/05/06/286080506.db2.gz GEIYSDOSJJBZSN-XUXIUFHCSA-N 1 0 284.400 0.715 10 0 CCAERO CCOCCN1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)C[C@@H]1C ZINC000246212050 286086422 /nfs/dbraw/zinc/08/64/22/286086422.db2.gz FVIVUPSWADPURS-GXTWGEPZSA-N 1 0 287.379 0.257 10 0 CCAERO CCOCCNC(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247023999 286095284 /nfs/dbraw/zinc/09/52/84/286095284.db2.gz STFHUARHXJHWMW-OLZOCXBDSA-N 1 0 269.389 0.308 10 0 CCAERO [NH3+][C@@H](CS(=O)(=O)N1CCCC1)C1CCOCC1 ZINC000757152719 581681990 /nfs/dbraw/zinc/68/19/90/581681990.db2.gz ZOASYUYIHMWULF-NSHDSACASA-N 1 0 262.375 0.166 10 0 CCAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)[C@]2(C)CCCNC2=O)C1 ZINC000337157821 289321089 /nfs/dbraw/zinc/32/10/89/289321089.db2.gz QPVZXCBXOTYKGY-JTNHKYCSSA-N 1 0 267.373 0.502 10 0 CCAERO COCCCNC(=O)[C@@H](C)N1CCC[N@@H+](C2CC2)CC1 ZINC000172543619 292359635 /nfs/dbraw/zinc/35/96/35/292359635.db2.gz BJRQWWMUROIJSU-CYBMUJFWSA-N 1 0 283.416 0.698 10 0 CCAERO COC[C@H](CCNC(=O)[C@H]1CCC[NH2+][C@H]1C)OC ZINC000659334735 413427328 /nfs/dbraw/zinc/42/73/28/413427328.db2.gz DIKCPELUCGROEA-SRVKXCTJSA-N 1 0 258.362 0.542 10 0 CCAERO COC[C@]1(C(=O)NC[C@@H]2CCC[C@@H](C)O2)CCC[NH2+]1 ZINC000659361697 413445257 /nfs/dbraw/zinc/44/52/57/413445257.db2.gz MGXYHTNGCWXQIV-DYEKYZERSA-N 1 0 270.373 0.829 10 0 CCAERO CN1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CCC1=O ZINC000659374489 413457670 /nfs/dbraw/zinc/45/76/70/413457670.db2.gz LTMVSNBHYUUJCC-WDEREUQCSA-N 1 0 253.346 0.195 10 0 CCAERO CCS(=O)(=O)C1(CNC(=O)[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000659379184 413462289 /nfs/dbraw/zinc/46/22/89/413462289.db2.gz BKFBNBIYWALKLY-QWRGUYRKSA-N 1 0 288.413 0.458 10 0 CCAERO O=C([C@H]1CNC(=O)C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000171042180 304454646 /nfs/dbraw/zinc/45/46/46/304454646.db2.gz ICQPPUZAIVFIJI-CHWSQXEVSA-N 1 0 279.384 0.599 10 0 CCAERO C[C@@H](O)C(=O)N1CC[NH+](CC2(O)CCC(C)CC2)CC1 ZINC000305751863 287075285 /nfs/dbraw/zinc/07/52/85/287075285.db2.gz ZXQOEWOIOJKUNC-JVWICGRDSA-N 1 0 284.400 0.453 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NCCC(=O)OC ZINC000245941177 287229869 /nfs/dbraw/zinc/22/98/69/287229869.db2.gz AUQGSDUWZQKJBI-OLZOCXBDSA-N 1 0 297.399 0.224 10 0 CCAERO CC(C)[C@](O)(C(=O)OC[C@@H]1CC[N@@H+]2CCC[C@H]12)[C@@H](C)O ZINC000005560062 170113605 /nfs/dbraw/zinc/11/36/05/170113605.db2.gz BWQSLRZZOVFVHJ-QVHKTLOISA-N 1 0 285.384 0.782 10 0 CCAERO Cc1cc(S(=O)(=O)N(C)C)ccc1OCCC[NH3+] ZINC000011801432 170442391 /nfs/dbraw/zinc/44/23/91/170442391.db2.gz IZUPBQPWMZSRAA-UHFFFAOYSA-N 1 0 272.370 0.973 10 0 CCAERO CCC(CC)(C[NH3+])C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000062976551 411687612 /nfs/dbraw/zinc/68/76/12/411687612.db2.gz AJHFROHHABQPBU-ZDUSSCGKSA-N 1 0 283.416 0.685 10 0 CCAERO C[C@H]1C[C@H](C)CN(C(=O)Cn2cc(C(C)(C)[NH3+])nn2)C1 ZINC000070118770 411689951 /nfs/dbraw/zinc/68/99/51/411689951.db2.gz FKBNBNSPGPHRCS-QWRGUYRKSA-N 1 0 279.388 0.976 10 0 CCAERO CC(C)[C@H](C)NC(=O)Cn1cc(C(C)(C)[NH3+])nn1 ZINC000070118315 411690243 /nfs/dbraw/zinc/69/02/43/411690243.db2.gz ORPXZBLXRUPZII-VIFPVBQESA-N 1 0 253.350 0.633 10 0 CCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000111266639 411701218 /nfs/dbraw/zinc/70/12/18/411701218.db2.gz IBIHGSFQHQQEOS-KGYLQXTDSA-N 1 0 278.356 0.856 10 0 CCAERO CCCN(CCC)S(=O)(=O)NC[C@H]1CC[NH2+]C1 ZINC000133754203 411729829 /nfs/dbraw/zinc/72/98/29/411729829.db2.gz YIVVDDPNDHDKDP-NSHDSACASA-N 1 0 263.407 0.552 10 0 CCAERO CNC(=O)[C@H](C)CN(C)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000300239499 411742557 /nfs/dbraw/zinc/74/25/57/411742557.db2.gz BUQVOINBQZVVGN-OUAUKWLOSA-N 1 0 255.362 0.202 10 0 CCAERO C[C@@H]1CCCN1CC(=O)Nc1ccn([C@@H]2CC[NH2+]C2)n1 ZINC000328645298 411759945 /nfs/dbraw/zinc/75/99/45/411759945.db2.gz ZNZCWHORRMNVQG-VXGBXAGGSA-N 1 0 277.372 0.840 10 0 CCAERO C[C@H](NC(=O)C(C)(C)N1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000131218355 411723572 /nfs/dbraw/zinc/72/35/72/411723572.db2.gz GUYHNBKJRSCTPB-RYUDHWBXSA-N 1 0 269.389 0.354 10 0 CCAERO COCCC(=O)N[C@H]1C[NH2+]CC[C@@H]1C(F)(F)F ZINC000616570606 411840602 /nfs/dbraw/zinc/84/06/02/411840602.db2.gz HCALPWOTQQJNGE-YUMQZZPRSA-N 1 0 254.252 0.680 10 0 CCAERO CO[C@H](C[N@@H+]1C[C@@H](O)C[C@@H]1CO)c1ccccc1 ZINC000284492068 196068947 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/nfs/dbraw/zinc/11/91/11/171119111.db2.gz WHDUUMCUIUNTBG-UHFFFAOYSA-N 1 0 258.343 0.810 10 0 CCAERO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)N1CCCCCCC1 ZINC000020265783 171122390 /nfs/dbraw/zinc/12/23/90/171122390.db2.gz FRTPRDJEQXECTM-LLVKDONJSA-N 1 0 276.402 0.541 10 0 CCAERO CCNS(=O)(=O)c1ccc(OCCC[NH3+])cc1 ZINC000020267907 171124191 /nfs/dbraw/zinc/12/41/91/171124191.db2.gz GVGPNXPBMHSSKC-UHFFFAOYSA-N 1 0 258.343 0.712 10 0 CCAERO COCCNC(=O)[C@@H](C)NCC(C)(C)C[NH+](C)C ZINC000020316539 171147317 /nfs/dbraw/zinc/14/73/17/171147317.db2.gz SLDTXOCXFOXODS-LLVKDONJSA-N 1 0 259.394 0.315 10 0 CCAERO COc1cccc([C@@H](CNC(=S)NN)[NH+](C)C)c1 ZINC000020426640 171192705 /nfs/dbraw/zinc/19/27/05/171192705.db2.gz RDUWYXGVFNVLHC-LLVKDONJSA-N 1 0 268.386 0.636 10 0 CCAERO O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000020434495 171199693 /nfs/dbraw/zinc/19/96/93/171199693.db2.gz OZYKQDMVGBKUEX-UWVGGRQHSA-N 1 0 264.281 0.119 10 0 CCAERO c1ccn2c(c1)nnc2C[NH2+][C@H]1CN2CCC1CC2 ZINC000020441767 171204963 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253.346 0.241 10 0 CCAERO CC[C@H]([NH3+])C(=O)N1CCC[C@@H](c2nncn2C)C1 ZINC000037819749 173771228 /nfs/dbraw/zinc/77/12/28/173771228.db2.gz XAEGNMHRQOTHSE-ZJUUUORDSA-N 1 0 251.334 0.258 10 0 CCAERO Cc1ccc(C(=O)NCC[NH2+][C@@H]2COC[C@H]2O)cc1 ZINC000037902798 173834335 /nfs/dbraw/zinc/83/43/35/173834335.db2.gz ZYMSEPVEVMHVIC-CHWSQXEVSA-N 1 0 264.325 0.074 10 0 CCAERO NC(=O)[C@@]1(N2CC[NH2+]CC2)CCOc2ccccc21 ZINC000037945781 173887374 /nfs/dbraw/zinc/88/73/74/173887374.db2.gz SSRLLNFVGRRBLU-CQSZACIVSA-N 1 0 261.325 0.055 10 0 CCAERO COC(=O)[C@H](c1cccc(O)c1)N1CCC[NH2+]CC1 ZINC000037959448 173903805 /nfs/dbraw/zinc/90/38/05/173903805.db2.gz VKEWHELNXFODSC-ZDUSSCGKSA-N 1 0 264.325 0.902 10 0 CCAERO Cc1cc(CN(C)CC(=O)N2CC[NH2+]CC2)cc(C)c1O ZINC000038030954 174022752 /nfs/dbraw/zinc/02/27/52/174022752.db2.gz XBPBHYVIYSJSJO-UHFFFAOYSA-N 1 0 291.395 0.873 10 0 CCAERO CCN(CCC[NH2+]C[C@H]1CCOC1)S(C)(=O)=O ZINC000038035429 174033793 /nfs/dbraw/zinc/03/37/93/174033793.db2.gz WTCQYJABLWVHGW-LLVKDONJSA-N 1 0 264.391 0.284 10 0 CCAERO [NH3+]CCc1ccccc1O[C@H]1CCS(=O)(=O)C1 ZINC000038085520 174095889 /nfs/dbraw/zinc/09/58/89/174095889.db2.gz OAIWLIBGUCHYPF-NSHDSACASA-N 1 0 255.339 0.754 10 0 CCAERO CCS(=O)(=O)CCOc1ccc(C(N)=[NH2+])cc1 ZINC000038085831 174097117 /nfs/dbraw/zinc/09/71/17/174097117.db2.gz NWJYATOYSKNXDD-UHFFFAOYSA-N 1 0 256.327 0.784 10 0 CCAERO CC(C)OCCOC[C@@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC000038094468 174108209 /nfs/dbraw/zinc/10/82/09/174108209.db2.gz SFTSDQGNEURKBL-STQMWFEESA-N 1 0 261.362 0.415 10 0 CCAERO CCCN1C(=O)C[C@H]([NH2+]CC[C@H]2CCCO2)C1=O ZINC000038096516 174110229 /nfs/dbraw/zinc/11/02/29/174110229.db2.gz XFCXFABLLOIESN-MNOVXSKESA-N 1 0 254.330 0.683 10 0 CCAERO COC(=O)N1CCN(C(=O)[C@@H]([NH3+])CC(C)C)CC1 ZINC000038101796 174117724 /nfs/dbraw/zinc/11/77/24/174117724.db2.gz KPAOMMLRUQRUOZ-JTQLQIEISA-N 1 0 257.334 0.270 10 0 CCAERO O=C([C@@H]1CSCN1)N1CCC([NH+]2CCCC2)CC1 ZINC000038101711 174117889 /nfs/dbraw/zinc/11/78/89/174117889.db2.gz VRXGPOJCMDQJNM-LBPRGKRZSA-N 1 0 269.414 0.736 10 0 CCAERO CCC(=O)N1CCCN(C(=O)C[NH2+][C@H](C)CC)CC1 ZINC000038101621 174117954 /nfs/dbraw/zinc/11/79/54/174117954.db2.gz WTDOERHLRFXPCP-GFCCVEGCSA-N 1 0 269.389 0.845 10 0 CCAERO COC[C@@H](CCNC(=O)CC[C@H]1CCC[NH2+]1)OC ZINC000662615967 414732808 /nfs/dbraw/zinc/73/28/08/414732808.db2.gz DHWJIRSUKITAHL-VXGBXAGGSA-N 1 0 258.362 0.686 10 0 CCAERO CN1C[C@H](CNC(=O)c2ccc3c(c2)C[NH2+]C3)CC1=O ZINC000662695491 414742366 /nfs/dbraw/zinc/74/23/66/414742366.db2.gz NMYSNGBXJVGFCX-JTQLQIEISA-N 1 0 273.336 0.498 10 0 CCAERO [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[C@@H]3COC[C@@H]3C2)C1 ZINC000662710755 414745016 /nfs/dbraw/zinc/74/50/16/414745016.db2.gz JITKOTDPCJKBII-QNWHQSFQSA-N 1 0 252.358 0.999 10 0 CCAERO C[C@@H](NC(=O)[C@H]1C[NH2+]CCOC1)c1cscn1 ZINC000662857531 414849507 /nfs/dbraw/zinc/84/95/07/414849507.db2.gz OBRSGOCIXRXCEG-BDAKNGLRSA-N 1 0 255.343 0.556 10 0 CCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N(C)CC2=CCCOC2)C1 ZINC000662872149 414858450 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ZINC000042680576 174835237 /nfs/dbraw/zinc/83/52/37/174835237.db2.gz AFIUOWNQMSNCSU-NSHDSACASA-N 1 0 293.433 0.259 10 0 CCAERO CN(CCn1cc(N)ccc1=O)C[C@@H]1CC[N@H+](C)C1 ZINC000071187793 176062065 /nfs/dbraw/zinc/06/20/65/176062065.db2.gz KZFORQAQFLWKAT-GFCCVEGCSA-N 1 0 264.373 0.314 10 0 CCAERO C[N@H+](C[C@@H]1CC[NH+](C)C1)CC1(C(=O)[O-])CCOCC1 ZINC000071191543 176070123 /nfs/dbraw/zinc/07/01/23/176070123.db2.gz UUTHBDRMVSTVGO-GFCCVEGCSA-N 1 0 270.373 0.751 10 0 CCAERO C[C@@H](O)CN(C)S(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000071244557 176095065 /nfs/dbraw/zinc/09/50/65/176095065.db2.gz ZAQXQKCPENAUEQ-MRVPVSSYSA-N 1 0 276.333 0.286 10 0 CCAERO C[C@H]1C[C@H](C)CN(S(=O)(=O)N(C)[C@@H]2CC[NH2+]C2)C1 ZINC000071310444 176117634 /nfs/dbraw/zinc/11/76/34/176117634.db2.gz JENBILJZJPYAJD-SDDRHHMPSA-N 1 0 275.418 0.503 10 0 CCAERO C[C@@H]1CCC[NH2+][C@@H]1CNS(=O)(=O)C1CCOCC1 ZINC000071339133 176129277 /nfs/dbraw/zinc/12/92/77/176129277.db2.gz MRRBNPTWQORXBY-ZYHUDNBSSA-N 1 0 276.402 0.473 10 0 CCAERO 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0.683 10 0 CCAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CCN(C2CC2)CC1 ZINC000054308264 544443524 /nfs/dbraw/zinc/44/35/24/544443524.db2.gz IEQNEFYSWNFWEU-LBPRGKRZSA-N 1 0 251.374 0.683 10 0 CCAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CC[C@H](N2CCOCC2)C1 ZINC000062976838 544447057 /nfs/dbraw/zinc/44/70/57/544447057.db2.gz RBTCMDMRFXFXQI-KBPBESRZSA-N 1 0 281.400 0.309 10 0 CCAERO O=S(=O)(c1ccnc(N[C@H]2CC[NH2+]C2)c1)N1CCCC1 ZINC000333586723 228205772 /nfs/dbraw/zinc/20/57/72/228205772.db2.gz USLVMWKUPXCOHK-NSHDSACASA-N 1 0 296.396 0.640 10 0 CCAERO C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)o1)[C@H]1CCCO1 ZINC000088538909 544509167 /nfs/dbraw/zinc/50/91/67/544509167.db2.gz JVFPKUFRQIWBBR-PSASIEDQSA-N 1 0 274.342 0.584 10 0 CCAERO O=C(COC1CC[NH2+]CC1)NC[C@@H]1CCC[C@H]1O ZINC000089169974 544511524 /nfs/dbraw/zinc/51/15/24/544511524.db2.gz OTOZICHHWZFAPS-CMPLNLGQSA-N 1 0 256.346 0.032 10 0 CCAERO CN(CC(=O)NC(C)(C)C)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089455557 544512850 /nfs/dbraw/zinc/51/28/50/544512850.db2.gz UXOGKABFURGTEM-MNOVXSKESA-N 1 0 269.389 0.735 10 0 CCAERO CC(=O)N1CCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089454413 544512923 /nfs/dbraw/zinc/51/29/23/544512923.db2.gz ZFDAKEUVQGDDBR-NEPJUHHUSA-N 1 0 253.346 0.052 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC000089453914 544513129 /nfs/dbraw/zinc/51/31/29/544513129.db2.gz XCLAKMJGTNQUKT-GXTWGEPZSA-N 1 0 293.411 0.879 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NC(=O)COC[C@@H]2CCOC2)C1 ZINC000117792417 544565137 /nfs/dbraw/zinc/56/51/37/544565137.db2.gz MUHOWXUWZPMWGD-CHWSQXEVSA-N 1 0 270.373 0.640 10 0 CCAERO Cc1ccccc1N1C(=O)C[C@@H](N2CC[NH2+]CC2)C1=O ZINC000137476360 292630954 /nfs/dbraw/zinc/63/09/54/292630954.db2.gz SVNKMJJSVSNKCQ-CYBMUJFWSA-N 1 0 273.336 0.532 10 0 CCAERO O=C(N[C@H]1CCCOC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111247404 544562039 /nfs/dbraw/zinc/56/20/39/544562039.db2.gz OQPZCAFWJXBDSH-WPRPVWTQSA-N 1 0 266.263 0.824 10 0 CCAERO CCC[NH2+]C[C@H](O)CS(=O)(=O)c1ccccc1 ZINC000126471241 544596355 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Cc1cnn(C[C@H]2CN(C(=O)C3([NH3+])CCCC3)CCO2)c1 ZINC000178781170 544748192 /nfs/dbraw/zinc/74/81/92/544748192.db2.gz NDNNJYNDQWPJFG-CYBMUJFWSA-N 1 0 292.383 0.690 10 0 CCAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)N[C@H]1CCCOCC1 ZINC000181742892 544759281 /nfs/dbraw/zinc/75/92/81/544759281.db2.gz BEEWYFCDCVQOGK-UONOGXRCSA-N 1 0 299.415 0.702 10 0 CCAERO C[C@@H]([NH2+]CC(=O)N(C)Cc1cnn(C)c1)[C@H]1CCCO1 ZINC000183136477 544766410 /nfs/dbraw/zinc/76/64/10/544766410.db2.gz GDOPHWJSPBJSJI-DGCLKSJQSA-N 1 0 280.372 0.536 10 0 CCAERO CCCN(CCC)C(=O)C[NH2+][C@@H](C(=O)NC)C(C)C ZINC000183661962 544769355 /nfs/dbraw/zinc/76/93/55/544769355.db2.gz DPQGOWIJDVYQBL-CYBMUJFWSA-N 1 0 271.405 0.995 10 0 CCAERO CNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000227427775 544834066 /nfs/dbraw/zinc/83/40/66/544834066.db2.gz NAOVQTFBVWFVTO-UTUOFQBUSA-N 1 0 267.373 0.346 10 0 CCAERO C[C@@H](O)CCC[NH2+]C[C@H](O)COCc1ccco1 ZINC000227720308 544836449 /nfs/dbraw/zinc/83/64/49/544836449.db2.gz 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CCN1C[C@H](NC(=O)C[C@H]2CCC[NH2+]C2)CC1=O ZINC000391608384 328979700 /nfs/dbraw/zinc/97/97/00/328979700.db2.gz JUASBEAEXDNYTH-GHMZBOCLSA-N 1 0 253.346 0.113 10 0 CCAERO CN(C)c1ccc(C(=O)N2CCC(O)(C[NH3+])CC2)cc1 ZINC000397102461 329341459 /nfs/dbraw/zinc/34/14/59/329341459.db2.gz PXLJDMYCBHBOGU-UHFFFAOYSA-N 1 0 277.368 0.678 10 0 CCAERO CCCCOC[C@H](O)C[NH2+]C[C@@H]1CCCCS1(=O)=O ZINC000578437225 335633882 /nfs/dbraw/zinc/63/38/82/335633882.db2.gz WQWGVMQTUXHOTA-OLZOCXBDSA-N 1 0 293.429 0.721 10 0 CCAERO NC(=O)c1cn(C2C[NH+](CC3Cc4ccccc4C3)C2)nn1 ZINC000581236767 336029008 /nfs/dbraw/zinc/02/90/08/336029008.db2.gz QJZSYTUCDMDUQD-UHFFFAOYSA-N 1 0 297.362 0.649 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1cccc(C(N)=O)c1 ZINC000384230014 336122825 /nfs/dbraw/zinc/12/28/25/336122825.db2.gz GBVNLAMNCXHJQN-GXFFZTMASA-N 1 0 275.352 0.790 10 0 CCAERO C[C@@H]1C[C@H]([NH2+]C[C@H](O)CN2CCCCC2)[C@H](C)O1 ZINC000385150157 336140973 /nfs/dbraw/zinc/14/09/73/336140973.db2.gz MZHOVOAYBUCQQH-RFGFWPKPSA-N 1 0 256.390 0.989 10 0 CCAERO CCN(CC(F)F)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000386562792 336176602 /nfs/dbraw/zinc/17/66/02/336176602.db2.gz OGTAASGXPVKMAI-UHFFFAOYSA-N 1 0 263.332 0.784 10 0 CCAERO CC1(C)CN(S(=O)(=O)C[C@@H]2CCCC[NH2+]2)CCO1 ZINC000049631158 520489501 /nfs/dbraw/zinc/48/95/01/520489501.db2.gz BGMNIOVQKRBBAQ-NSHDSACASA-N 1 0 276.402 0.569 10 0 CCAERO C[C@H](NC(=O)c1cccs1)C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000423659319 533765598 /nfs/dbraw/zinc/76/55/98/533765598.db2.gz DVGGXYOXFAQMPS-IVZWLZJFSA-N 1 0 281.381 0.815 10 0 CCAERO CCN(C)c1ccc(CNC[C@@H]2C[NH2+]C[C@H]2O)cn1 ZINC000263184946 535764428 /nfs/dbraw/zinc/76/44/28/535764428.db2.gz HEPICUSHYZIBNZ-CHWSQXEVSA-N 1 0 264.373 0.208 10 0 CCAERO CC(C)N1C(=O)C[C@H](N[C@@H](C)CC[NH+](C)C)C1=O ZINC000049554924 519667580 /nfs/dbraw/zinc/66/75/80/519667580.db2.gz CAOFJXRZMFWYBC-QWRGUYRKSA-N 1 0 255.362 0.452 10 0 CCAERO CC(C)[NH2+][C@H](CCSc1cnn(C)c1)C(N)=O ZINC000062602257 519738350 /nfs/dbraw/zinc/73/83/50/519738350.db2.gz 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ZINC000062741368 520894454 /nfs/dbraw/zinc/89/44/54/520894454.db2.gz TWTQBURWFSMOCI-UWVGGRQHSA-N 1 0 257.334 0.461 10 0 CCAERO CCOc1ccccc1OCC[C@H]([NH2+]C)C(N)=O ZINC000062548186 521567332 /nfs/dbraw/zinc/56/73/32/521567332.db2.gz XOLKZWZTJRWDEC-JTQLQIEISA-N 1 0 252.314 0.928 10 0 CCAERO CCCn1c(SCC[C@](C)([NH3+])C(=O)OC)n[nH]c1=O ZINC000061607935 521633911 /nfs/dbraw/zinc/63/39/11/521633911.db2.gz PHMVIRDUCPOSRL-NSHDSACASA-N 1 0 288.373 0.354 10 0 CCAERO CCNC(=O)CN(CC)Cc1[nH+]c(NN)ccc1Cl ZINC000061638697 521736881 /nfs/dbraw/zinc/73/68/81/521736881.db2.gz UBGWKIVRFFWTFU-UHFFFAOYSA-N 1 0 285.779 0.979 10 0 CCAERO C[NH2+]C(C)(C)C(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000061319092 521937295 /nfs/dbraw/zinc/93/72/95/521937295.db2.gz DULOCOLIGPCQOY-UHFFFAOYSA-N 1 0 284.381 0.704 10 0 CCAERO C[NH2+]C[C@@H]1CCCCN1c1ccc(S(N)(=O)=O)cn1 ZINC000063169537 522041765 /nfs/dbraw/zinc/04/17/65/522041765.db2.gz UOQLNJBQQZMFFB-JTQLQIEISA-N 1 0 284.385 0.307 10 0 CCAERO C[NH2+]Cc1ccc(CN2CCS(=O)(=O)CC2)o1 ZINC000052480272 522117833 /nfs/dbraw/zinc/11/78/33/522117833.db2.gz PPKBPIWDPRIZRP-UHFFFAOYSA-N 1 0 258.343 0.229 10 0 CCAERO CC[C@@H](C)N1CCN(S(=O)(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000055083912 522129385 /nfs/dbraw/zinc/12/93/85/522129385.db2.gz OEZBZUSVPDNQNR-OLZOCXBDSA-N 1 0 289.445 0.484 10 0 CCAERO CNS(=O)(=O)c1ccccc1N1CC[NH2+][C@@H](C)C1 ZINC000052783399 522310583 /nfs/dbraw/zinc/31/05/83/522310583.db2.gz WSAXUUCFOWKIJY-JTQLQIEISA-N 1 0 269.370 0.393 10 0 CCAERO C[NH2+][C@@H](c1ccc2[nH]c(=O)[nH]c2c1)[C@H]1COCCO1 ZINC000055299459 522369978 /nfs/dbraw/zinc/36/99/78/522369978.db2.gz BFLBNUTVPBUHLT-NEPJUHHUSA-N 1 0 263.297 0.532 10 0 CCAERO C[NH2+][C@H]1COc2cc(OC[C@H](C)C(N)=O)ccc21 ZINC000062804451 522507926 /nfs/dbraw/zinc/50/79/26/522507926.db2.gz FOWJEYKJLSARJO-KWQFWETISA-N 1 0 250.298 0.840 10 0 CCAERO CN(CCC[NH3+])S(=O)(=O)NCc1ccc(F)cc1F ZINC000051017716 522741438 /nfs/dbraw/zinc/74/14/38/522741438.db2.gz MEGGLGYBUJYMRK-UHFFFAOYSA-N 1 0 293.339 0.580 10 0 CCAERO COCCCNC(=O)C[NH2+][C@@H](CN(C)C)C(C)C ZINC000049283063 523329220 /nfs/dbraw/zinc/32/92/20/523329220.db2.gz VNHGVSVLKSGAFW-LBPRGKRZSA-N 1 0 259.394 0.315 10 0 CCAERO CN1CCN(C(=O)[C@@H]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000055145244 523878887 /nfs/dbraw/zinc/87/88/87/523878887.db2.gz IOXKPAHBQKKNMI-CHWSQXEVSA-N 1 0 253.390 0.916 10 0 CCAERO COCC[NH2+]Cc1c(C)nc(CS(C)(=O)=O)nc1C ZINC000054854554 523945443 /nfs/dbraw/zinc/94/54/43/523945443.db2.gz BPQJMIHEUCMENN-UHFFFAOYSA-N 1 0 287.385 0.374 10 0 CCAERO C[C@H](CCC[NH2+]C1CC1)N1CCS(=O)(=O)CC1 ZINC000052480343 524142874 /nfs/dbraw/zinc/14/28/74/524142874.db2.gz RJAGPTPOOMUBQF-LLVKDONJSA-N 1 0 260.403 0.638 10 0 CCAERO C[C@@H](C(=O)NCc1nccs1)N1CC[NH2+]CC1 ZINC000049539375 524218724 /nfs/dbraw/zinc/21/87/24/524218724.db2.gz KHKVZANMHMGAGG-VIFPVBQESA-N 1 0 254.359 0.053 10 0 CCAERO C[C@H](CCc1ccco1)[NH2+][C@H]1CS(=O)(=O)C[C@@H]1O ZINC000049566425 524262891 /nfs/dbraw/zinc/26/28/91/524262891.db2.gz FJVFNGCVNOKMGF-USWWRNFRSA-N 1 0 273.354 0.348 10 0 CCAERO C[C@H]1CC[C@H](CNS(=O)(=O)C[C@@H]2CCCO2)C[NH2+]1 ZINC000063155824 524409689 /nfs/dbraw/zinc/40/96/89/524409689.db2.gz PHISJFPQDPFPLN-SRVKXCTJSA-N 1 0 276.402 0.473 10 0 CCAERO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cn[nH]c1 ZINC000063194249 524856035 /nfs/dbraw/zinc/85/60/35/524856035.db2.gz LENDBEZMMCVRJC-WCBMZHEXSA-N 1 0 258.347 0.300 10 0 CCAERO C[C@H](NC(=O)C(=O)NCC[NH3+])c1ccccc1F ZINC000049528225 524881110 /nfs/dbraw/zinc/88/11/10/524881110.db2.gz GEVVNIMXBGEAMJ-QMMMGPOBSA-N 1 0 253.277 0.078 10 0 CCAERO C[C@@H](NC(=O)CN1CCC[NH2+]CC1)c1ccccn1 ZINC000061269631 525103578 /nfs/dbraw/zinc/10/35/78/525103578.db2.gz PIYPMDLZSHKKAN-GFCCVEGCSA-N 1 0 262.357 0.554 10 0 CCAERO Cc1cc([C@H](C(N)=O)N2CCC[NH2+]CC2)ccc1F ZINC000050558906 525501218 /nfs/dbraw/zinc/50/12/18/525501218.db2.gz SLGOYYZCNGSVMJ-CYBMUJFWSA-N 1 0 265.332 0.956 10 0 CCAERO Cc1cccnc1NS(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000049631738 525544680 /nfs/dbraw/zinc/54/46/80/525544680.db2.gz VVACZDMFDRRATM-JTQLQIEISA-N 1 0 255.343 0.884 10 0 CCAERO C[C@@H](NS(=O)(=O)C1CC[NH2+]CC1)c1cccnc1 ZINC000049643244 525568279 /nfs/dbraw/zinc/56/82/79/525568279.db2.gz SQDPPHUJDLBNSR-SNVBAGLBSA-N 1 0 269.370 0.814 10 0 CCAERO CSCC[C@H]([NH3+])C(=O)NC[C@@H](O)COCC(C)C ZINC000157392359 525581979 /nfs/dbraw/zinc/58/19/79/525581979.db2.gz WDUUWKYFQSIGPS-MNOVXSKESA-N 1 0 278.418 0.217 10 0 CCAERO Cc1ccn2c(=O)cc(C[N@@H+]3CC[C@@H](O)C3)nc2c1 ZINC000061708581 525606164 /nfs/dbraw/zinc/60/61/64/525606164.db2.gz GPECOMYEKNOXFT-GFCCVEGCSA-N 1 0 259.309 0.570 10 0 CCAERO Cc1ccc([C@@H](C)[NH2+][C@H]2CS(=O)(=O)C[C@@H]2O)cc1 ZINC000049556744 525750645 /nfs/dbraw/zinc/75/06/45/525750645.db2.gz PTZWVFKWHQIBSZ-WXHSDQCUSA-N 1 0 269.366 0.804 10 0 CCAERO O=C(CC[C@H]1CCCC[NH2+]1)N[C@H]1CCCCNC1=O ZINC000050944066 526565673 /nfs/dbraw/zinc/56/56/73/526565673.db2.gz KGKALRZPJCRHBT-NEPJUHHUSA-N 1 0 267.373 0.694 10 0 CCAERO NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2C(N)=S)C1 ZINC000061659619 526964198 /nfs/dbraw/zinc/96/41/98/526964198.db2.gz AYOKNSUKMAVZQQ-SNVBAGLBSA-N 1 0 278.381 0.413 10 0 CCAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C[C@@H]1CCS(=O)(=O)C1 ZINC000054602205 527145758 /nfs/dbraw/zinc/14/57/58/527145758.db2.gz INTQWVFIKRRSNJ-WODVXLOZSA-N 1 0 272.414 0.765 10 0 CCAERO O=S(=O)(C[C@H]1CCCC[NH2+]1)NCc1ccco1 ZINC000049630538 527184768 /nfs/dbraw/zinc/18/47/68/527184768.db2.gz NJBMOQXEKPCHBI-SNVBAGLBSA-N 1 0 258.343 0.841 10 0 CCAERO NNc1ccc(C(=O)N2CCO[C@@H]3CCC[C@H]32)c[nH+]1 ZINC000051114115 527275174 /nfs/dbraw/zinc/27/51/74/527275174.db2.gz DNDBWGNZTWJDDN-GHMZBOCLSA-N 1 0 262.313 0.761 10 0 CCAERO [NH3+][C@H]1CCC[C@@H](CC(=O)N[C@@H]2CCCNC2=O)C1 ZINC000055131490 527403380 /nfs/dbraw/zinc/40/33/80/527403380.db2.gz BGVXWHALBRKTBC-OUAUKWLOSA-N 1 0 253.346 0.289 10 0 CCAERO O=c1n(CC[NH2+]C[C@@H]2CCCO2)nc2n1CCCC2 ZINC000061817933 527493376 /nfs/dbraw/zinc/49/33/76/527493376.db2.gz HKMAGSCRIHHCFG-NSHDSACASA-N 1 0 266.345 0.150 10 0 CCAERO O[C@@]1(Cn2ccnn2)CC[N@H+](CCc2ccccc2)C1 ZINC000671492068 545249857 /nfs/dbraw/zinc/24/98/57/545249857.db2.gz MRCMBCUKZLUSNX-HNNXBMFYSA-N 1 0 272.352 0.958 10 0 CCAERO O[C@]1(Cn2ccnn2)CC[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000671492980 545250029 /nfs/dbraw/zinc/25/00/29/545250029.db2.gz PXPZPOGCZOFIRG-OAHLLOKOSA-N 1 0 298.350 0.791 10 0 CCAERO CC(C)(C)c1ncc(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)cn1 ZINC000262462530 534920207 /nfs/dbraw/zinc/92/02/07/534920207.db2.gz VZVIHDWUJJCTOB-UWVGGRQHSA-N 1 0 264.329 0.435 10 0 CCAERO CC(C)(Cc1ccccc1)C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262413310 535189235 /nfs/dbraw/zinc/18/92/35/535189235.db2.gz ZKARYIGCTBCTRM-UONOGXRCSA-N 1 0 276.380 0.952 10 0 CCAERO Cn1cnnc1C1=C[C@@H]([NH3+])CN(C(=O)OC(C)(C)C)C1 ZINC000675078671 545321371 /nfs/dbraw/zinc/32/13/71/545321371.db2.gz REFAXHDHFYKHNM-SNVBAGLBSA-N 1 0 279.344 0.777 10 0 CCAERO CCNC(=O)c1cccc(CNC(=O)[C@@H](C)C2C[NH2+]C2)c1 ZINC000262322694 535445748 /nfs/dbraw/zinc/44/57/48/535445748.db2.gz CXGJWEHIUORPIO-NSHDSACASA-N 1 0 289.379 0.908 10 0 CCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCNC(=O)c1ccc(O)cc1 ZINC000262802478 535655156 /nfs/dbraw/zinc/65/51/56/535655156.db2.gz MRMMIANETOVDIY-ZWNOBZJWSA-N 1 0 293.367 0.612 10 0 CCAERO CCn1nccc1NC(=O)[C@]1(CCOC)CC[NH2+]C1 ZINC000262051281 535884221 /nfs/dbraw/zinc/88/42/21/535884221.db2.gz HLCJDUBCMHGBMS-ZDUSSCGKSA-N 1 0 266.345 0.858 10 0 CCAERO CCc1ocnc1-c1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263219431 535931205 /nfs/dbraw/zinc/93/12/05/535931205.db2.gz LPQSJZLGXGDIBL-MRVPVSSYSA-N 1 0 263.301 0.863 10 0 CCAERO COC(=O)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262352185 536316582 /nfs/dbraw/zinc/31/65/82/536316582.db2.gz ITBVIVAXGIKSLD-SRVKXCTJSA-N 1 0 268.357 0.929 10 0 CCAERO C[NH2+][C@H](C)CNC(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000261847731 536399233 /nfs/dbraw/zinc/39/92/33/536399233.db2.gz WZPLGFFKTLYRLW-MNOVXSKESA-N 1 0 278.356 0.921 10 0 CCAERO COC[C@@H]([NH3+])C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000262347871 536655292 /nfs/dbraw/zinc/65/52/92/536655292.db2.gz UEYAAXJJPAWJRP-NXEZZACHSA-N 1 0 269.370 0.823 10 0 CCAERO COc1cc(CCNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)ccc1C ZINC000262453634 536739016 /nfs/dbraw/zinc/73/90/16/536739016.db2.gz FAVWOIBBNZYBOT-STQMWFEESA-N 1 0 278.352 0.385 10 0 CCAERO COc1cc(CNC[C@H]2C[NH2+]C[C@H]2O)ccc1C ZINC000263267900 536802305 /nfs/dbraw/zinc/80/23/05/536802305.db2.gz RUTKPLOTRIBGAZ-QWHCGFSZSA-N 1 0 250.342 0.674 10 0 CCAERO COC[C@H]([NH3+])C(=O)N1CCC[C@H](Cc2nccn2C)C1 ZINC000262328082 536860190 /nfs/dbraw/zinc/86/01/90/536860190.db2.gz RGHWVJTWTOBESQ-NEPJUHHUSA-N 1 0 280.372 0.175 10 0 CCAERO CCC[NH2+][C@H](Cn1cc(Br)cn1)C(N)=O ZINC000045437344 570273294 /nfs/dbraw/zinc/27/32/94/570273294.db2.gz MGUKNKMYDQVEKM-MRVPVSSYSA-N 1 0 275.150 0.499 10 0 CCAERO CNC(=O)[C@H]1CCCN(C(=O)C2CCC([NH3+])CC2)C1 ZINC000225458422 581102516 /nfs/dbraw/zinc/10/25/16/581102516.db2.gz BCOQIKWWZHJASS-CXQJBGSLSA-N 1 0 267.373 0.489 10 0 CCAERO Cc1ccncc1C[N@@H+]1CCC[C@@](O)(c2cn[nH]n2)C1 ZINC000794008524 581328407 /nfs/dbraw/zinc/32/84/07/581328407.db2.gz FYMCZUWBTCQPDP-AWEZNQCLSA-N 1 0 273.340 0.992 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H](C)NC(N)=O ZINC000253549692 581666503 /nfs/dbraw/zinc/66/65/03/581666503.db2.gz VJXACHVZDGJZNC-MXWKQRLJSA-N 1 0 268.361 0.128 10 0 CCAERO C[NH+](C)CCCNc1cnn(CCOCCO)c1 ZINC000757130065 581695973 /nfs/dbraw/zinc/69/59/73/581695973.db2.gz KXKQNDHTFVXEFJ-UHFFFAOYSA-N 1 0 256.350 0.256 10 0 CCAERO CCN(C)S(=O)(=O)C[C@@H]([NH3+])C1CCOCC1 ZINC000757151017 581696767 /nfs/dbraw/zinc/69/67/67/581696767.db2.gz MMNIFGSCYPDEAT-SNVBAGLBSA-N 1 0 250.364 0.022 10 0 CCAERO CN(CC1CCCCC1)C(=O)Cn1cc(C[NH3+])nn1 ZINC000131424942 581929469 /nfs/dbraw/zinc/92/94/69/581929469.db2.gz QPTQRDSIRGGUED-UHFFFAOYSA-N 1 0 265.361 0.776 10 0 CCAERO CC(C)(C[NH3+])c1nc([C@H]2CN3CCC[C@@H]3CO2)no1 ZINC000137527997 614088525 /nfs/dbraw/zinc/08/85/25/614088525.db2.gz KTERJDJULAPOQA-NXEZZACHSA-N 1 0 266.345 0.842 10 0 CCAERO C(C[C@@H]1CC[NH2+]C1)c1nc([C@H]2CN3CCN2CC3)no1 ZINC000134619289 613231126 /nfs/dbraw/zinc/23/11/26/613231126.db2.gz ZAHXXOFZKAYEQQ-VXGBXAGGSA-N 1 0 277.372 0.284 10 0 CCAERO CC(=O)NC1(c2noc([C@@]3(N)CC[N@@H+](C)C3)n2)CCCC1 ZINC000886078351 613694068 /nfs/dbraw/zinc/69/40/68/613694068.db2.gz WEMQQRFJUPIDOC-CYBMUJFWSA-N 1 0 293.371 0.465 10 0 CCAERO CC[C@@H](CO)[N@@H+]1CC[C@H](Nc2ccc3nccn3n2)C1 ZINC000930528111 615489566 /nfs/dbraw/zinc/48/95/66/615489566.db2.gz HWSJXHNYWXBFHT-RYUDHWBXSA-N 1 0 275.356 0.986 10 0 CCAERO CCS(=O)(=O)CCN(C)C[C@@H](O)COC(C)(C)C ZINC000129572181 615532217 /nfs/dbraw/zinc/53/22/17/615532217.db2.gz NUYOTDFJPLNGLS-LLVKDONJSA-N 1 0 281.418 0.529 10 0 CCAERO CN(c1cccnn1)C1CC[NH+](C[C@H]2COCCO2)CC1 ZINC000929536325 616118932 /nfs/dbraw/zinc/11/89/32/616118932.db2.gz HDRRTHQXNTYZKD-AWEZNQCLSA-N 1 0 292.383 0.793 10 0 CCAERO COCCCNC(=O)C1CC[NH+](CCC(C)=O)CC1 ZINC000103469563 616886293 /nfs/dbraw/zinc/88/62/93/616886293.db2.gz UXRRAENYSPSYMX-UHFFFAOYSA-N 1 0 270.373 0.830 10 0 CCAERO C[NH2+]CCCNC(=O)[C@@H](CC(C)C)NC(=O)OC ZINC000121188238 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270.373 0.769 10 0 CCAERO CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000638681601 375289514 /nfs/dbraw/zinc/28/95/14/375289514.db2.gz NORVWADCXYXGRZ-GRYCIOLGSA-N 1 0 288.413 0.538 10 0 CCAERO CC(C)(C(=O)N[C@H]1CO[C@H](C2CC2)C1)N1CC[NH2+]CC1 ZINC000638695943 375302146 /nfs/dbraw/zinc/30/21/46/375302146.db2.gz SFXPHKBOXAPFEW-OLZOCXBDSA-N 1 0 281.400 0.354 10 0 CCAERO C[C@@H]1CN(C(=O)CN2CCCCCC2=O)C[C@@H]1C[NH3+] ZINC000638886201 375425644 /nfs/dbraw/zinc/42/56/44/375425644.db2.gz JYNWUMDWNPNGEQ-NEPJUHHUSA-N 1 0 267.373 0.442 10 0 CCAERO CC(=O)N[C@H](C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1)C(C)C ZINC000638888262 375427670 /nfs/dbraw/zinc/42/76/70/375427670.db2.gz RVMTZLBXHUKHDB-DLOVCJGASA-N 1 0 255.362 0.200 10 0 CCAERO C[C@@H](NC(=O)c1ccco1)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639023954 375529009 /nfs/dbraw/zinc/52/90/09/375529009.db2.gz NBJHXSWESSUZCO-GMTAPVOTSA-N 1 0 279.340 0.784 10 0 CCAERO CC[C@H]1CN(C[C@H]2CCc3ncnn32)CC[N@@H+]1CCOC ZINC000639478806 375799499 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C[C@@H](C(F)(F)F)S(=O)(=O)N1CCC[C@H]([NH3+])C1 ZINC000334972456 207392900 /nfs/dbraw/zinc/39/29/00/207392900.db2.gz LYCJELAKNJHIQK-BQBZGAKWSA-N 1 0 260.281 0.690 10 0 CCAERO CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCS[C@@H](C)C2)CC1 ZINC000246176910 285008146 /nfs/dbraw/zinc/00/81/46/285008146.db2.gz UHECKUQZSZDBLS-NWDGAFQWSA-N 1 0 299.440 0.503 10 0 CCAERO C[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@H]1N1CCOCC1 ZINC000246275766 285013184 /nfs/dbraw/zinc/01/31/84/285013184.db2.gz ABRIAMBQAKVVIC-CHWSQXEVSA-N 1 0 290.429 0.074 10 0 CCAERO COC[C@H](C)CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246703097 285029253 /nfs/dbraw/zinc/02/92/53/285029253.db2.gz GCXLXIGWELBYCY-NEPJUHHUSA-N 1 0 255.362 0.759 10 0 CCAERO CCn1ccnc1CN1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000247006917 285039836 /nfs/dbraw/zinc/03/98/36/285039836.db2.gz BVGNPUYWIFQATH-OLZOCXBDSA-N 1 0 266.389 0.790 10 0 CCAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCCNC(=O)C2CC2)C1 ZINC000247036932 285041138 /nfs/dbraw/zinc/04/11/38/285041138.db2.gz HXEAZUPDICCVRP-DGCLKSJQSA-N 1 0 296.415 0.541 10 0 CCAERO CC[C@H]1CN(C(=O)NCCCOC)CC[N@@H+]1C[C@H](C)O ZINC000248373089 285063403 /nfs/dbraw/zinc/06/34/03/285063403.db2.gz GDBRFCPHSQDWHT-STQMWFEESA-N 1 0 287.404 0.510 10 0 CCAERO Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c(C)o1 ZINC000335245716 208016518 /nfs/dbraw/zinc/01/65/18/208016518.db2.gz ASIVAKJZWFSJCZ-XCBNKYQSSA-N 1 0 258.343 0.864 10 0 CCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)NCC2CCOCC2)C[C@H]1C ZINC000248579798 285070273 /nfs/dbraw/zinc/07/02/73/285070273.db2.gz FDKUXKGLLDTONG-OLZOCXBDSA-N 1 0 299.415 0.510 10 0 CCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@]2(C)CCCO2)C[C@@H]1C ZINC000248600271 285070963 /nfs/dbraw/zinc/07/09/63/285070963.db2.gz IYJYCKLMRYGTOM-KCQAQPDRSA-N 1 0 299.415 0.652 10 0 CCAERO CCCCOC[C@@H](O)C[N@@H+]1CCC[C@H]1C(=O)NC ZINC000248637470 285072143 /nfs/dbraw/zinc/07/21/43/285072143.db2.gz AHDFIVSFQHRKOV-RYUDHWBXSA-N 1 0 258.362 0.374 10 0 CCAERO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000248680701 285074880 /nfs/dbraw/zinc/07/48/80/285074880.db2.gz FIQDSYNJTNUNDZ-RDBSUJKOSA-N 1 0 283.416 0.696 10 0 CCAERO C[C@@H](CNC(=O)[C@@H]1CCOC[C@H]1C)N1CCOCC1 ZINC000248842284 285084030 /nfs/dbraw/zinc/08/40/30/285084030.db2.gz GLUTTZVWVXRTCJ-FRRDWIJNSA-N 1 0 270.373 0.496 10 0 CCAERO COCc1cc(N2CC[N@@H+]3CCC[C@H]3C2)n2ncnc2n1 ZINC000248902335 285089044 /nfs/dbraw/zinc/08/90/44/285089044.db2.gz UBTAGBSUQLSKPU-LBPRGKRZSA-N 1 0 288.355 0.555 10 0 CCAERO COCCOC[C@H](O)C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000234884777 285105091 /nfs/dbraw/zinc/10/50/91/285105091.db2.gz FPWWNVDWTVQKCU-HZSPNIEDSA-N 1 0 273.373 0.654 10 0 CCAERO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000392941459 285206854 /nfs/dbraw/zinc/20/68/54/285206854.db2.gz PUWHLYGUELBKCG-WHOHXGKFSA-N 1 0 269.389 0.936 10 0 CCAERO O=C(CNC[C@@H]1CCC[NH2+]C1)NCC(F)(F)F ZINC000393682609 285210995 /nfs/dbraw/zinc/21/09/95/285210995.db2.gz LADJAHNVPMLJOS-MRVPVSSYSA-N 1 0 253.268 0.254 10 0 CCAERO COC[C@@H](CC[NH2+]Cc1c(C)nn(C)c1OC)OC ZINC000657555039 413023612 /nfs/dbraw/zinc/02/36/12/413023612.db2.gz UMIHWWJXTVBWBQ-LLVKDONJSA-N 1 0 271.361 0.878 10 0 CCAERO Cn1c2ccc([C@@H]([NH3+])Cn3cccn3)cc2n(C)c1=O ZINC000011850044 388775092 /nfs/dbraw/zinc/77/50/92/388775092.db2.gz LLYGWZGGEKTSIV-NSHDSACASA-N 1 0 271.324 0.774 10 0 CCAERO C[C@@H]1CCCN1S(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000184981216 388782079 /nfs/dbraw/zinc/78/20/79/388782079.db2.gz IMQDYKUTYJEPNX-VXGBXAGGSA-N 1 0 273.402 0.496 10 0 CCAERO CCC[C@H]([NH3+])C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000036872810 388843548 /nfs/dbraw/zinc/84/35/48/388843548.db2.gz RXEOZOKOFMWMOV-JTQLQIEISA-N 1 0 271.342 0.400 10 0 CCAERO CC(C)[NH2+]C[C@H](O)COC(=O)c1cccc(N)c1 ZINC000025972972 388819013 /nfs/dbraw/zinc/81/90/13/388819013.db2.gz UDWXCCFJADIETF-LBPRGKRZSA-N 1 0 252.314 0.785 10 0 CCAERO Cc1cc(CC(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)[nH]n1 ZINC000286013408 388826302 /nfs/dbraw/zinc/82/63/02/388826302.db2.gz ZQDKUWPFUADWTH-CHWSQXEVSA-N 1 0 278.356 0.192 10 0 CCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCN(C)C(=O)[C@@H]1C ZINC000187051528 388866229 /nfs/dbraw/zinc/86/62/29/388866229.db2.gz HBNIBRBXGNPANT-QWHCGFSZSA-N 1 0 298.431 0.835 10 0 CCAERO COC(=O)Nc1cccc(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000037766838 388847971 /nfs/dbraw/zinc/84/79/71/388847971.db2.gz HFICMAVLNXWWFX-GHMZBOCLSA-N 1 0 279.296 0.526 10 0 CCAERO C[NH+](C)C[C@H](NC(=O)[C@@H]1CCC(=O)NC1)c1ccccc1 ZINC000047859081 388883116 /nfs/dbraw/zinc/88/31/16/388883116.db2.gz FKSKXIPCMNKTPS-KGLIPLIRSA-N 1 0 289.379 0.932 10 0 CCAERO COCC[N@@H+]1CCN(C[C@H](O)CC(F)(F)F)C[C@H]1C ZINC000189160222 388950204 /nfs/dbraw/zinc/95/02/04/388950204.db2.gz XMOCANIBNMTEKK-GHMZBOCLSA-N 1 0 284.322 0.952 10 0 CCAERO C[C@H](O)CN1CC[NH+]([C@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000189334352 388954878 /nfs/dbraw/zinc/95/48/78/388954878.db2.gz LENYPAXUEQHKCH-RCBQFDQVSA-N 1 0 276.380 0.643 10 0 CCAERO COCC1(C[N@@H+]2CCC[C@](O)(C(N)=O)C2)CCC1 ZINC000336796437 389021623 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171702487 /nfs/dbraw/zinc/70/24/87/171702487.db2.gz PEIPZMCJGUEXKJ-UHFFFAOYSA-N 1 0 257.359 0.581 10 0 CCAERO COC(=O)CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000035176986 172030379 /nfs/dbraw/zinc/03/03/79/172030379.db2.gz POSXIHJROSLIHU-UHFFFAOYSA-N 1 0 264.325 0.993 10 0 CCAERO CCCCCNC(=O)[C@@H](C)[NH2+]CC(=O)NC1CC1 ZINC000035207185 172052267 /nfs/dbraw/zinc/05/22/67/172052267.db2.gz CWPXXHNOJDYWCK-SNVBAGLBSA-N 1 0 255.362 0.550 10 0 CCAERO CN(C)S(=O)(=O)c1ccc(N2CCC[NH2+]CC2)cc1 ZINC000035348894 172143056 /nfs/dbraw/zinc/14/30/56/172143056.db2.gz CZOMEBQLPBMHMN-UHFFFAOYSA-N 1 0 283.397 0.737 10 0 CCAERO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1NN ZINC000035354468 172145627 /nfs/dbraw/zinc/14/56/27/172145627.db2.gz YKQNGDBHUJWNEP-UHFFFAOYSA-N 1 0 298.412 0.687 10 0 CCAERO CC[C@@H]1C[C@@H](C(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC(=O)N1 ZINC000408201911 287267107 /nfs/dbraw/zinc/26/71/07/287267107.db2.gz GUMQQFBQXVCRHR-UPJWGTAASA-N 1 0 297.399 0.080 10 0 CCAERO COc1cc(N2C[C@@H]([NH3+])CC2=O)cc(OC)c1OC 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CC[NH2+]C1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000037536978 173256628 /nfs/dbraw/zinc/25/66/28/173256628.db2.gz NQODABWNYMTGQS-LBPRGKRZSA-N 1 0 269.389 0.308 10 0 CCAERO CCCN(CC(=O)NCCOC)C1CC[NH2+]CC1 ZINC000037539235 173260104 /nfs/dbraw/zinc/26/01/04/173260104.db2.gz QGBUFTNEWUSRIR-UHFFFAOYSA-N 1 0 257.378 0.213 10 0 CCAERO CCC[C@@H](C)C(=O)N(CC(N)=O)C1CC[NH2+]CC1 ZINC000037542319 173263670 /nfs/dbraw/zinc/26/36/70/173263670.db2.gz AOSCRTFZVSONLC-SNVBAGLBSA-N 1 0 255.362 0.489 10 0 CCAERO NC(=O)[C@H](C[NH3+])Cc1ccc2c(c1)OCCCO2 ZINC000037674842 173613634 /nfs/dbraw/zinc/61/36/34/173613634.db2.gz MINKAFWIWRXORA-JTQLQIEISA-N 1 0 250.298 0.451 10 0 CCAERO C[C@@H](NC(=O)CNC(=O)C[NH3+])c1ccccc1F ZINC000037764280 173691139 /nfs/dbraw/zinc/69/11/39/173691139.db2.gz OCLCHHQREBZPAM-MRVPVSSYSA-N 1 0 253.277 0.078 10 0 CCAERO Cn1cnnc1[C@H]1CCCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000037819694 173771576 /nfs/dbraw/zinc/77/15/76/173771576.db2.gz GUDNPAQXNDAIPT-WDEREUQCSA-N 1 0 263.345 0.273 10 0 CCAERO O=S(=O)(N1CCCC1)N1CCC[C@H]1C1CC[NH2+]CC1 ZINC000037916479 173851255 /nfs/dbraw/zinc/85/12/55/173851255.db2.gz DYIOXTWHWYDYIB-ZDUSSCGKSA-N 1 0 287.429 0.791 10 0 CCAERO COC(=O)C1CCN(C(=O)C[NH2+]C2CCCC2)CC1 ZINC000037976051 173931152 /nfs/dbraw/zinc/93/11/52/173931152.db2.gz IMBPKRPSQDDORX-UHFFFAOYSA-N 1 0 268.357 0.930 10 0 CCAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+]CCCS(C)(=O)=O ZINC000038048142 174058540 /nfs/dbraw/zinc/05/85/40/174058540.db2.gz BNGHGOKFVWRZJA-JTQLQIEISA-N 1 0 278.418 0.704 10 0 CCAERO NC(=O)c1ccc(F)c(C[NH2+]C[C@H]2COCCO2)c1 ZINC000038061995 174073064 /nfs/dbraw/zinc/07/30/64/174073064.db2.gz DJFOYFKEGRBKQJ-NSHDSACASA-N 1 0 268.288 0.430 10 0 CCAERO C[C@@H]([NH2+]C[C@@H]1COCCO1)C(=O)N1CCCCC1 ZINC000038061857 174073413 /nfs/dbraw/zinc/07/34/13/174073413.db2.gz LASRQHJLOYVRPI-VXGBXAGGSA-N 1 0 256.346 0.392 10 0 CCAERO C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(C)C1 ZINC000038083205 174092631 /nfs/dbraw/zinc/09/26/31/174092631.db2.gz LOOADOLYYVIIKE-FRRDWIJNSA-N 1 0 274.430 0.741 10 0 CCAERO C[C@H]([NH2+]C1CCC(C(N)=O)CC1)C(=O)NC(C)(C)C ZINC000038092028 174105796 /nfs/dbraw/zinc/10/57/96/174105796.db2.gz VKCKDRJJYVBSHO-WHXUTIOJSA-N 1 0 269.389 0.923 10 0 CCAERO O[C@H](C[NH2+]C[C@@H]1CCOC1)COC[C@H]1CCCO1 ZINC000038094327 174108340 /nfs/dbraw/zinc/10/83/40/174108340.db2.gz XLFQQIYOGLWNNS-YNEHKIRRSA-N 1 0 259.346 0.169 10 0 CCAERO CCC[NH+]1CCC(N(C)C(=O)[C@H]2CSCN2)CC1 ZINC000038100740 174115479 /nfs/dbraw/zinc/11/54/79/174115479.db2.gz OVSKGIKHMXDBNP-GFCCVEGCSA-N 1 0 271.430 0.982 10 0 CCAERO CCOC(=O)CN(C(=O)[C@H]1CCCC[NH2+]1)C(C)C ZINC000038101172 174115979 /nfs/dbraw/zinc/11/59/79/174115979.db2.gz YREYEBQYGXLZLD-LLVKDONJSA-N 1 0 256.346 0.929 10 0 CCAERO CCOC(=O)CN(C(=O)C1CC[NH2+]CC1)C(C)C ZINC000038101168 174116313 /nfs/dbraw/zinc/11/63/13/174116313.db2.gz IDXKVPHDRQQKGA-UHFFFAOYSA-N 1 0 256.346 0.786 10 0 CCAERO CCCN(CC(=O)NC)C(=O)C[NH2+]C1CCCC1 ZINC000038101037 174116338 /nfs/dbraw/zinc/11/63/38/174116338.db2.gz VFINCHYWHLBSKM-UHFFFAOYSA-N 1 0 255.362 0.503 10 0 CCAERO CCOC(=O)N1CCN(C(=O)[C@](C)([NH3+])C2CC2)CC1 ZINC000038100986 174116469 /nfs/dbraw/zinc/11/64/69/174116469.db2.gz NUFSIORWWJCZGE-CYBMUJFWSA-N 1 0 269.345 0.415 10 0 CCAERO CN1C[C@H](CNC(=O)c2ccc(C[NH3+])cc2)CC1=O ZINC000662695738 414742396 /nfs/dbraw/zinc/74/23/96/414742396.db2.gz PIPLWYLOLQCHBT-NSHDSACASA-N 1 0 261.325 0.353 10 0 CCAERO CCS(=O)(=O)C1(CNC(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000662706973 414744216 /nfs/dbraw/zinc/74/42/16/414744216.db2.gz HEPKRWVGRAMKBQ-LBPRGKRZSA-N 1 0 288.413 0.602 10 0 CCAERO CO[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000662836209 414831052 /nfs/dbraw/zinc/83/10/52/414831052.db2.gz WVMCCMGVXZRISC-NWDGAFQWSA-N 1 0 256.346 0.250 10 0 CCAERO [NH3+]CC1(C(=O)N[C@@H](CO)C2CCC2)CCOCC1 ZINC000662853535 414844528 /nfs/dbraw/zinc/84/45/28/414844528.db2.gz PZJPMELRBSITLQ-NSHDSACASA-N 1 0 256.346 0.019 10 0 CCAERO CN(C(=O)c1ccc2n[nH]nc2c1)[C@H](C[NH3+])C(F)(F)F ZINC000662983653 414933743 /nfs/dbraw/zinc/93/37/43/414933743.db2.gz FKCFYSRTHJXQBJ-SECBINFHSA-N 1 0 287.245 0.920 10 0 CCAERO Cc1ccc([C@@H]([NH3+])C(=O)NC[C@@H]2CC(=O)N(C)C2)cc1 ZINC000662886850 414870663 /nfs/dbraw/zinc/87/06/63/414870663.db2.gz OYHOWALVXKGIOR-SMDDNHRTSA-N 1 0 275.352 0.589 10 0 CCAERO CCOC1CCN(C2(C[NH3+])CCS(=O)(=O)CC2)CC1 ZINC000042332391 174687746 /nfs/dbraw/zinc/68/77/46/174687746.db2.gz PZANSGLEHDZANA-UHFFFAOYSA-N 1 0 290.429 0.393 10 0 CCAERO C[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)C2)[C@@H]1CCC[NH3+] ZINC000662895095 414874058 /nfs/dbraw/zinc/87/40/58/414874058.db2.gz YMVBLCAPLBHHCA-GRYCIOLGSA-N 1 0 267.373 0.489 10 0 CCAERO CCN(CC)C(=O)CC[NH2+]C1CCS(=O)CC1 ZINC000042353715 174693161 /nfs/dbraw/zinc/69/31/61/174693161.db2.gz WSFDIPSOQQOUGA-UHFFFAOYSA-N 1 0 260.403 0.746 10 0 CCAERO C[C@@]1(C(N)=O)CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000662903636 414883287 /nfs/dbraw/zinc/88/32/87/414883287.db2.gz ZGWJUIJWOGPTBY-SOCHQFKDSA-N 1 0 293.289 0.108 10 0 CCAERO [NH3+]Cc1c(N2CCC[C@H]2CO)nc2sccn12 ZINC000042433211 174730429 /nfs/dbraw/zinc/73/04/29/174730429.db2.gz OPXABWLJTQLFJP-QMMMGPOBSA-N 1 0 252.343 0.816 10 0 CCAERO COC[C@@H](O)CN(C)c1ccc(C(N)=[NH2+])cc1F ZINC000042507863 174763218 /nfs/dbraw/zinc/76/32/18/174763218.db2.gz BXFUAIGJIBJQAD-VIFPVBQESA-N 1 0 255.293 0.553 10 0 CCAERO C[C@@H](NS(=O)(=O)N(C)CCC[NH3+])c1ccccc1 ZINC000042524987 174774985 /nfs/dbraw/zinc/77/49/85/174774985.db2.gz PUCNJLUHMRZIQP-LLVKDONJSA-N 1 0 271.386 0.863 10 0 CCAERO CCC[C@@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC000042570989 174800382 /nfs/dbraw/zinc/80/03/82/174800382.db2.gz NLMJZVDLUMCNRO-VWYCJHECSA-N 1 0 257.378 0.746 10 0 CCAERO CCOC(=O)COc1cc2c(cc1C[NH3+])OCO2 ZINC000042873812 174898399 /nfs/dbraw/zinc/89/83/99/174898399.db2.gz MURJPTGEXNXCLS-UHFFFAOYSA-N 1 0 253.254 0.816 10 0 CCAERO CCCc1nccnc1N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000663272368 415032086 /nfs/dbraw/zinc/03/20/86/415032086.db2.gz MPEQPBYVUSRUKL-CYBMUJFWSA-N 1 0 275.400 0.913 10 0 CCAERO O=S1(=O)CCc2nc(N3CC[NH2+]CC3)sc2C1 ZINC000044494175 175181920 /nfs/dbraw/zinc/18/19/20/175181920.db2.gz SPNMSSWGNYCKJU-UHFFFAOYSA-N 1 0 273.383 0.024 10 0 CCAERO CC(=O)N1CCN(C(=O)C2(C[NH3+])CCCCC2)CC1 ZINC000044753213 175245605 /nfs/dbraw/zinc/24/56/05/175245605.db2.gz PZTGIWVKHXZBBP-UHFFFAOYSA-N 1 0 267.373 0.586 10 0 CCAERO [NH3+]CC1(C(=O)NCCN2CCOCC2)CCCCC1 ZINC000044753342 175245640 /nfs/dbraw/zinc/24/56/40/175245640.db2.gz JLTCFCLKAHBDNJ-UHFFFAOYSA-N 1 0 269.389 0.344 10 0 CCAERO [NH3+]CC1(C(=O)N[C@H]2CCS(=O)(=O)C2)CCCCC1 ZINC000044761960 175246505 /nfs/dbraw/zinc/24/65/05/175246505.db2.gz SIQKFGGTWQGBFR-JTQLQIEISA-N 1 0 274.386 0.199 10 0 CCAERO COCc1cc(N2CC[C@H]([NH3+])C2)nc(-c2cnccn2)n1 ZINC000070455909 175940334 /nfs/dbraw/zinc/94/03/34/175940334.db2.gz ASBFKWUJQQFXCO-JTQLQIEISA-N 1 0 286.339 0.617 10 0 CCAERO COc1ccc(C[C@](C)(CO)N2CC[NH2+]CC2)cc1 ZINC000071169949 176050563 /nfs/dbraw/zinc/05/05/63/176050563.db2.gz USTHPSWVWHBJRI-OAHLLOKOSA-N 1 0 264.369 0.894 10 0 CCAERO CNc1cc(C)nc(C2CC[NH+](CCO)CC2)n1 ZINC000072356903 176376226 /nfs/dbraw/zinc/37/62/26/176376226.db2.gz HAZHMHYJMMTYEQ-UHFFFAOYSA-N 1 0 250.346 0.998 10 0 CCAERO [NH3+]C[C@@H](CC(=O)NC[C@@H]1CCCO1)c1cccnc1 ZINC000076678209 177056839 /nfs/dbraw/zinc/05/68/39/177056839.db2.gz VDMCFGOHFVISHO-OLZOCXBDSA-N 1 0 263.341 0.809 10 0 CCAERO C[NH2+]CCCCCC(=O)N1CCN(C(C)=O)CC1 ZINC000077610829 177286916 /nfs/dbraw/zinc/28/69/16/177286916.db2.gz CEYKTVLUWVXMSR-UHFFFAOYSA-N 1 0 255.362 0.457 10 0 CCAERO C[C@@H]([NH3+])c1ccnc(-n2cc(S(C)(=O)=O)cn2)c1 ZINC000725242189 545874129 /nfs/dbraw/zinc/87/41/29/545874129.db2.gz LMAWQCPAALCCAS-MRVPVSSYSA-N 1 0 266.326 0.691 10 0 CCAERO C[C@H]([NH3+])c1ccnc(-n2cc(S(C)(=O)=O)cn2)c1 ZINC000725242190 545873361 /nfs/dbraw/zinc/87/33/61/545873361.db2.gz LMAWQCPAALCCAS-QMMMGPOBSA-N 1 0 266.326 0.691 10 0 CCAERO CC[NH2+][C@H](Cn1cc(S(C)(=O)=O)cn1)C(C)(C)OC ZINC000725252326 545876685 /nfs/dbraw/zinc/87/66/85/545876685.db2.gz MCZFQDGODAZXEJ-LLVKDONJSA-N 1 0 289.401 0.690 10 0 CCAERO CC[NH2+][C@H](Cn1cc(S(C)(=O)=O)cn1)C(C)C ZINC000725252576 545877963 /nfs/dbraw/zinc/87/79/63/545877963.db2.gz NOUYNIQXHLUBLQ-LLVKDONJSA-N 1 0 259.375 0.921 10 0 CCAERO CS(=O)(=O)c1cnn([C@H](C[NH3+])C(F)(F)F)c1 ZINC000725252585 545878919 /nfs/dbraw/zinc/87/89/19/545878919.db2.gz NSBMCPBGGYNHJE-ZCFIWIBFSA-N 1 0 257.237 0.349 10 0 CCAERO C[C@H](O)C[N@H+](C)[C@@H]1CC(=O)N[C@H](C(F)(F)F)C1 ZINC000725263118 545883548 /nfs/dbraw/zinc/88/35/48/545883548.db2.gz OYSJPIUWMYQKAN-FXQIFTODSA-N 1 0 254.252 0.509 10 0 CCAERO C[C@@H]1CN([C@H]2CC(=O)N[C@H](C(F)(F)F)C2)CC[NH2+]1 ZINC000725263010 545883682 /nfs/dbraw/zinc/88/36/82/545883682.db2.gz BVBYVEXADHSSTF-HLTSFMKQSA-N 1 0 265.279 0.490 10 0 CCAERO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCS[C@@H](C)C1 ZINC000171692649 335074719 /nfs/dbraw/zinc/07/47/19/335074719.db2.gz MMQHGLOXHHVEHF-QWRGUYRKSA-N 1 0 299.440 0.536 10 0 CCAERO O=S(=O)(N[C@H]1CCCC12CC[NH2+]CC2)C1CC1 ZINC000725264308 545885254 /nfs/dbraw/zinc/88/52/54/545885254.db2.gz XWKSRJWTADXKRU-NSHDSACASA-N 1 0 258.387 0.991 10 0 CCAERO CCn1ncnc1-c1cnnn1[C@@H]1CCC[NH2+]CC1 ZINC000725266020 545886168 /nfs/dbraw/zinc/88/61/68/545886168.db2.gz GFXKQFLVAREJKF-SNVBAGLBSA-N 1 0 261.333 0.871 10 0 CCAERO COC(=O)C1CC[NH+]([C@H]2CCO[C@]23CCOC3)CC1 ZINC000725269570 545887557 /nfs/dbraw/zinc/88/75/57/545887557.db2.gz WPKCNCOPLAGJNS-JSGCOSHPSA-N 1 0 269.341 0.819 10 0 CCAERO O=C(CCc1ccncc1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000367186025 227210590 /nfs/dbraw/zinc/21/05/90/227210590.db2.gz LMCNSHUBDPUQFN-OLZOCXBDSA-N 1 0 261.325 0.213 10 0 CCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC(NC(=O)C2CC2)CC1 ZINC000089456800 544512852 /nfs/dbraw/zinc/51/28/52/544512852.db2.gz WDJLRIGAVDNEEN-TZMCWYRMSA-N 1 0 293.411 0.879 10 0 CCAERO CNC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089457957 544515064 /nfs/dbraw/zinc/51/50/64/544515064.db2.gz YWDZPOVINSCUJJ-VWYCJHECSA-N 1 0 253.346 0.098 10 0 CCAERO NC(=O)CN(C(=O)[C@H]1CC[C@@H]([NH3+])C1)C1CCCC1 ZINC000091542275 544527624 /nfs/dbraw/zinc/52/76/24/544527624.db2.gz MXWUQOINHMBFOB-VHSXEESVSA-N 1 0 253.346 0.370 10 0 CCAERO C[C@H](NC(=O)[C@H]1CCC[C@@H]1C[NH3+])C(=O)N1CCCC1 ZINC000135364618 544635273 /nfs/dbraw/zinc/63/52/73/544635273.db2.gz CCJGRSLMJBTTLW-TUAOUCFPSA-N 1 0 267.373 0.489 10 0 CCAERO C[C@@]1(CNC(=O)NC[C@H](O)C[NH+]2CCCCC2)CCCO1 ZINC000133202850 544625532 /nfs/dbraw/zinc/62/55/32/544625532.db2.gz HPVOJMGCDDJKFR-ZFWWWQNUSA-N 1 0 299.415 0.702 10 0 CCAERO CC(C)(C(=O)NCC1(CO)CCCCC1)N1CC[NH2+]CC1 ZINC000157538524 544684965 /nfs/dbraw/zinc/68/49/65/544684965.db2.gz KOCXQYAUQAETCF-UHFFFAOYSA-N 1 0 297.443 0.729 10 0 CCAERO CCN1CCO[C@H](C[NH2+][C@@H](C)c2cnn(C)c2)C1 ZINC000165256387 544721388 /nfs/dbraw/zinc/72/13/88/544721388.db2.gz ZXMBGBUPHNSCRA-WCQYABFASA-N 1 0 252.362 0.791 10 0 CCAERO CCN1CCO[C@H](C[NH2+]C2CC[NH+](CC)CC2)C1 ZINC000165258988 544722048 /nfs/dbraw/zinc/72/20/48/544722048.db2.gz YEQMBQITRXDYQR-CQSZACIVSA-N 1 0 255.406 0.781 10 0 CCAERO CNC(=O)[C@@H]1CCCN1C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000179292067 544750783 /nfs/dbraw/zinc/75/07/83/544750783.db2.gz KFDZHMJLOGJUJO-GVXVVHGQSA-N 1 0 294.399 0.532 10 0 CCAERO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@H](O)CN1CCCCC1 ZINC000182567947 544764577 /nfs/dbraw/zinc/76/45/77/544764577.db2.gz VWGVZQNHDSUQTL-OLZOCXBDSA-N 1 0 292.445 0.246 10 0 CCAERO CNC(=O)[C@H]([NH2+]CC(=O)NCc1cccnc1)C(C)C ZINC000183642549 544769365 /nfs/dbraw/zinc/76/93/65/544769365.db2.gz WRYCPHVHKLZBHL-CYBMUJFWSA-N 1 0 278.356 0.058 10 0 CCAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccn(C)c(=O)c1 ZINC000221953404 544817922 /nfs/dbraw/zinc/81/79/22/544817922.db2.gz ISMMHGIDCVLVOU-LLVKDONJSA-N 1 0 263.341 0.409 10 0 CCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H](C)[C@H](CO)C1 ZINC000188804511 544787205 /nfs/dbraw/zinc/78/72/05/544787205.db2.gz ZEXRYEHBVBMDTA-HZSPNIEDSA-N 1 0 299.415 0.367 10 0 CCAERO Cc1cnc([C@H](C)NC(=O)C[C@@H]2C[NH2+]CCO2)o1 ZINC000231743161 544860588 /nfs/dbraw/zinc/86/05/88/544860588.db2.gz XUXNIZLXDPZNSV-VHSXEESVSA-N 1 0 253.302 0.539 10 0 CCAERO 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DZXOFOHPSOJDPD-RAIGVLPGSA-N 1 0 254.374 0.899 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(F)cc1Cl ZINC000262113134 544940537 /nfs/dbraw/zinc/94/05/37/544940537.db2.gz FMUIKQGLSCVYRI-HQJQHLMTSA-N 1 0 272.707 0.789 10 0 CCAERO C[C@H](C(=O)NC[C@H]1C[NH2+]C[C@@H]1O)c1cccs1 ZINC000262111119 544940703 /nfs/dbraw/zinc/94/07/03/544940703.db2.gz FIHMOQXBNZCODE-AEJSXWLSSA-N 1 0 254.355 0.548 10 0 CCAERO Cc1ccc(O[C@H](C)C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262123565 544940710 /nfs/dbraw/zinc/94/07/10/544940710.db2.gz GAPBGIXNTKDXKZ-BZPMIXESSA-N 1 0 278.352 0.459 10 0 CCAERO C[C@H](CC1CCCC1)C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262105306 544940727 /nfs/dbraw/zinc/94/07/27/544940727.db2.gz DZXOFOHPSOJDPD-RTXFEEFZSA-N 1 0 254.374 0.899 10 0 CCAERO COc1cc2c(c(CNC[C@@H]3C[NH2+]C[C@@H]3O)c1)O[C@@H](C)C2 ZINC000262153475 544942099 /nfs/dbraw/zinc/94/20/99/544942099.db2.gz RNTLZIAXHLLIMG-ZBINZKHDSA-N 1 0 292.379 0.689 10 0 CCAERO Cc1ccc(C(C)(C)C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262133110 544942436 /nfs/dbraw/zinc/94/24/36/544942436.db2.gz GQESURVCNAGZKX-JSGCOSHPSA-N 1 0 276.380 0.969 10 0 CCAERO CCCN(CCC)S(=O)(=O)NC[C@@H](C)[NH2+]C ZINC000304246345 544983469 /nfs/dbraw/zinc/98/34/69/544983469.db2.gz FUHOMPTVYYVMHE-SNVBAGLBSA-N 1 0 251.396 0.551 10 0 CCAERO COC[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCCO1 ZINC000333748841 545042606 /nfs/dbraw/zinc/04/26/06/545042606.db2.gz JSBWGWZWBLPLNF-RFGFWPKPSA-N 1 0 297.399 0.431 10 0 CCAERO O=C(CC[C@H]1CCC[NH2+]1)NCc1csc(=O)[nH]1 ZINC000310576709 545010829 /nfs/dbraw/zinc/01/08/29/545010829.db2.gz PWDGOUVUWFNBRP-MRVPVSSYSA-N 1 0 255.343 0.585 10 0 CCAERO C[NH2+][C@@H](C)CNc1ccccc1S(=O)(=O)N(C)C ZINC000310708392 545011130 /nfs/dbraw/zinc/01/11/30/545011130.db2.gz JGXFPQYTUIQTON-JTQLQIEISA-N 1 0 271.386 0.957 10 0 CCAERO CC(C)(C)[C@H](O)CNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000324364418 545017007 /nfs/dbraw/zinc/01/70/07/545017007.db2.gz RTIXKNZPNUXQKN-WDEREUQCSA-N 1 0 254.374 0.899 10 0 CCAERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2CCO[C@H]2C)C1 ZINC000332766787 545033352 /nfs/dbraw/zinc/03/33/52/545033352.db2.gz VUHQCNOUVPSSIC-MJBXVCDLSA-N 1 0 299.415 0.820 10 0 CCAERO C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCNC2=O)C[N@@H+]1C1CC1 ZINC000333075339 545038557 /nfs/dbraw/zinc/03/85/57/545038557.db2.gz KZFMVBVRTMOQQO-JFGNBEQYSA-N 1 0 280.372 0.189 10 0 CCAERO C[C@H]1CN(C(=O)NCc2ccn3ccnc3c2)C[C@@H]1[NH3+] ZINC000333676290 545041696 /nfs/dbraw/zinc/04/16/96/545041696.db2.gz YZUNZQGAZKUBGA-JQWIXIFHSA-N 1 0 273.340 0.823 10 0 CCAERO C[C@@H](C(=O)N1CCCC[C@H]1c1nc[nH]n1)[C@H](C)[NH3+] ZINC000249102257 274192641 /nfs/dbraw/zinc/19/26/41/274192641.db2.gz UWQSDMMKISYTDU-UTLUCORTSA-N 1 0 251.334 0.842 10 0 CCAERO CC(=O)[C@](C)(O)C[NH+]1CCC(N2CCO[C@H](C)C2)CC1 ZINC000408199404 275500310 /nfs/dbraw/zinc/50/03/10/275500310.db2.gz RQTYTDJJISDJTB-IUODEOHRSA-N 1 0 284.400 0.512 10 0 CCAERO CCO[C@@H]1C[C@H]([NH2+]C[C@]2(O)CCN(C)C2)C12CCOCC2 ZINC000329939384 276352795 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C[C@@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)[C@H](C)CO1 ZINC000333885205 287941097 /nfs/dbraw/zinc/94/10/97/287941097.db2.gz XABJJZARAOLBPF-UTUOFQBUSA-N 1 0 255.362 0.947 10 0 CCAERO COCCOCCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106460540 277231725 /nfs/dbraw/zinc/23/17/25/277231725.db2.gz SSSCKLHKEMKULO-OAHLLOKOSA-N 1 0 294.395 0.939 10 0 CCAERO C[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)[C@@H](C[NH3+])C1 ZINC000235311407 277743532 /nfs/dbraw/zinc/74/35/32/277743532.db2.gz RKYJRJSAEPZGSV-GMTAPVOTSA-N 1 0 253.346 0.098 10 0 CCAERO CC(=O)N1CCCN(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)CC1 ZINC000336491930 278000940 /nfs/dbraw/zinc/00/09/40/278000940.db2.gz REDVYKLRXOPEAR-KBPBESRZSA-N 1 0 296.415 0.733 10 0 CCAERO C[C@@H](C[NH3+])NC(=O)c1cc(Br)cn1C ZINC000082577383 278250236 /nfs/dbraw/zinc/25/02/36/278250236.db2.gz LPZSFTUTONUOLU-LURJTMIESA-N 1 0 260.135 0.865 10 0 CCAERO C[C@H]1CCN(C(=O)N2CCC[N@H+](CCO)CC2)C1 ZINC000334614583 278358355 /nfs/dbraw/zinc/35/83/55/278358355.db2.gz OJKZTKDLFJCJOC-LBPRGKRZSA-N 1 0 255.362 0.448 10 0 CCAERO C[C@]1([NH3+])CCCC[C@H]1C(=O)N[C@@H]1CCC(=O)NC1 ZINC000262988721 278565981 /nfs/dbraw/zinc/56/59/81/278565981.db2.gz NLWJRPHGPKXZGD-NRUUGDAUSA-N 1 0 253.346 0.289 10 0 CCAERO Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CCC(=O)N(C)C1=O ZINC000090026653 279408057 /nfs/dbraw/zinc/40/80/57/279408057.db2.gz CSLCHGBUWRRXNG-WDEREUQCSA-N 1 0 276.340 0.535 10 0 CCAERO CCOC(=O)N1CCC[C@H](C(=O)NCC[C@@H](C)[NH3+])C1 ZINC000178616060 279573856 /nfs/dbraw/zinc/57/38/56/279573856.db2.gz VMORJHIVUIJKAX-MNOVXSKESA-N 1 0 271.361 0.708 10 0 CCAERO Cc1cc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)nn1C ZINC000408180823 280331777 /nfs/dbraw/zinc/33/17/77/280331777.db2.gz WKGWCMNKTIPEHH-NSHDSACASA-N 1 0 266.345 0.131 10 0 CCAERO O=S1(=O)N=C(N[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000052093790 280352437 /nfs/dbraw/zinc/35/24/37/280352437.db2.gz SHEDCKYWWDZOGI-MRVPVSSYSA-N 1 0 251.311 0.087 10 0 CCAERO CC[C@@H]1CN(C(=O)[C@@]2(C)CCCO2)CC[N@@H+]1C[C@H](C)O ZINC000408110365 280373311 /nfs/dbraw/zinc/37/33/11/280373311.db2.gz OTXRJPCWRATXIT-GZBFAFLISA-N 1 0 284.400 0.859 10 0 CCAERO CC[C@H](C(=O)N1CC[C@@H](N2CCOCC2)C1)[NH+](C)C ZINC000162027831 280669468 /nfs/dbraw/zinc/66/94/68/280669468.db2.gz VMGXKQKYUFEMGI-CHWSQXEVSA-N 1 0 269.389 0.260 10 0 CCAERO CC[C@H]1C(=O)NCCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089462465 281031103 /nfs/dbraw/zinc/03/11/03/281031103.db2.gz PPFJPOFCXDTPMI-MXWKQRLJSA-N 1 0 253.346 0.098 10 0 CCAERO CC[C@H]1CN(CCC(=O)NC(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000105827027 281165187 /nfs/dbraw/zinc/16/51/87/281165187.db2.gz LWGXMCFEZFECLD-KGLIPLIRSA-N 1 0 285.432 0.678 10 0 CCAERO CC[C@](C)(O)C[N@@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000408047509 281291837 /nfs/dbraw/zinc/29/18/37/281291837.db2.gz HBLDYKNMWQOTQA-LSDHHAIUSA-N 1 0 284.400 0.597 10 0 CCAERO CC1(C)COC[C@H]1NC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000334965387 281292544 /nfs/dbraw/zinc/29/25/44/281292544.db2.gz BIDVWEDHEKIMNE-GHMZBOCLSA-N 1 0 255.362 0.934 10 0 CCAERO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)[C@H]1CC[C@H](C)O1 ZINC000408123603 289039065 /nfs/dbraw/zinc/03/90/65/289039065.db2.gz HZMPDJJFLUNZEO-UMSGYPCISA-N 1 0 270.373 0.467 10 0 CCAERO C[C@H](NC(N)=O)C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000375964333 289933231 /nfs/dbraw/zinc/93/32/31/289933231.db2.gz NNJVUWWEKKUAAD-JOYOIKCWSA-N 1 0 276.340 0.046 10 0 CCAERO C[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1O ZINC000408217307 290569948 /nfs/dbraw/zinc/56/99/48/290569948.db2.gz LSXQKDDGERIOTL-GWCFXTLKSA-N 1 0 263.341 0.991 10 0 CCAERO O=C(CC[C@H]1CCC[NH2+]1)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000383309689 545085078 /nfs/dbraw/zinc/08/50/78/545085078.db2.gz RZOUNGIPDWEXRZ-UPJWGTAASA-N 1 0 279.384 0.646 10 0 CCAERO C[C@H]1CCC[C@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000333786990 299898236 /nfs/dbraw/zinc/89/82/36/299898236.db2.gz LVZUKCFTLPSZCZ-CYDGBPFRSA-N 1 0 269.389 0.929 10 0 CCAERO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CC[C@@H](N3CCOCC3)C2)C1 ZINC000220390149 295303905 /nfs/dbraw/zinc/30/39/05/295303905.db2.gz KDNKILZZDYTIKA-MGPQQGTHSA-N 1 0 281.400 0.437 10 0 CCAERO C[C@@H]1C[C@@H](C(=O)N2CCC[C@H]([NH+](C)C)C2)CC(=O)N1 ZINC000408160888 297200193 /nfs/dbraw/zinc/20/01/93/297200193.db2.gz KTOWIVFIFIVOSV-UTUOFQBUSA-N 1 0 267.373 0.454 10 0 CCAERO COc1cc(C[NH2+][C@H]2CCCN(CCO)C2)sn1 ZINC000399197836 545089353 /nfs/dbraw/zinc/08/93/53/545089353.db2.gz YIWWORURXVZYOD-JTQLQIEISA-N 1 0 271.386 0.698 10 0 CCAERO COc1ncccc1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000401763433 545090290 /nfs/dbraw/zinc/09/02/90/545090290.db2.gz DPTOOQZFFAJVLF-ZETCQYMHSA-N 1 0 263.219 0.710 10 0 CCAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@@](CO)(OC)C1 ZINC000401798638 545090313 /nfs/dbraw/zinc/09/03/13/545090313.db2.gz LBVLQQQIKQLLKS-ZIAGYGMSSA-N 1 0 275.389 0.637 10 0 CCAERO C[C@H](C(=O)NC(N)=O)N1CCC([NH+]2CCCC2)CC1 ZINC000104079907 298132277 /nfs/dbraw/zinc/13/22/77/298132277.db2.gz CREFGXAHGICHEU-SNVBAGLBSA-N 1 0 268.361 0.130 10 0 CCAERO Cc1cc(SC[C@@H]([NH2+]C2CC2)C(N)=O)n(C)n1 ZINC000052312019 525434755 /nfs/dbraw/zinc/43/47/55/525434755.db2.gz VMJJANWBGZHYTJ-SECBINFHSA-N 1 0 254.359 0.427 10 0 CCAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)N1CCOCC1 ZINC000134760069 300307373 /nfs/dbraw/zinc/30/73/73/300307373.db2.gz BYPBDFHODGWQTG-QWHCGFSZSA-N 1 0 267.373 0.997 10 0 CCAERO [NH2+]=C(NO)[C@@H]1CCCCN1CC1CCS(=O)(=O)CC1 ZINC000368524738 303220184 /nfs/dbraw/zinc/22/01/84/303220184.db2.gz LYJXBLCLKQZSKC-NSHDSACASA-N 1 0 289.401 0.622 10 0 CCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000261625955 303425118 /nfs/dbraw/zinc/42/51/18/303425118.db2.gz BGYOAZGZAAGCSL-FVCCEPFGSA-N 1 0 279.384 0.631 10 0 CCAERO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CC[C@@]3(CCOC3)C2)O1 ZINC000261818333 303428554 /nfs/dbraw/zinc/42/85/54/303428554.db2.gz PGJUMEKEGAURHM-NTZNESFSSA-N 1 0 254.330 0.132 10 0 CCAERO CSc1ccnc(N2CC[C@H]3OCC[NH2+][C@@H]3C2)n1 ZINC000404245312 545091169 /nfs/dbraw/zinc/09/11/69/545091169.db2.gz ZPGCVMBVWWVLLD-NXEZZACHSA-N 1 0 266.370 0.766 10 0 CCAERO CC(C)n1nnnc1CN1CCC([C@H](C)[NH3+])CC1 ZINC000582487601 329096898 /nfs/dbraw/zinc/09/68/98/329096898.db2.gz IUIPAQSALDCYFB-JTQLQIEISA-N 1 0 252.366 0.813 10 0 CCAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000582903771 329283581 /nfs/dbraw/zinc/28/35/81/329283581.db2.gz OHTBFBYTCPTPNH-HBNTYKKESA-N 1 0 274.386 0.020 10 0 CCAERO CC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCCN(C(C)C)C2=O)C1 ZINC000177687609 335379010 /nfs/dbraw/zinc/37/90/10/335379010.db2.gz ZZZKJKFSFUCFMH-UONOGXRCSA-N 1 0 281.400 0.986 10 0 CCAERO COc1cc(OC)nc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000381188825 336054310 /nfs/dbraw/zinc/05/43/10/336054310.db2.gz RELRTZFIKTYLQA-PHIMTYICSA-N 1 0 278.356 0.930 10 0 CCAERO Cc1nc(N[C@@H]2CCC[C@H]([NH3+])C2)sc1S(N)(=O)=O ZINC000382455611 336090575 /nfs/dbraw/zinc/09/05/75/336090575.db2.gz JBSQTYZXDBOWRL-JGVFFNPUSA-N 1 0 290.414 0.781 10 0 CCAERO [NH3+]CC[C@@H](Nc1ccc2nccnc2n1)C(F)F ZINC000383445659 336109276 /nfs/dbraw/zinc/10/92/76/336109276.db2.gz LECHUTNXPJFPJJ-SSDOTTSWSA-N 1 0 253.256 0.793 10 0 CCAERO CC[NH2+][C@H](CCn1ccc(C(F)(F)F)n1)C(N)=O ZINC000062537137 520196144 /nfs/dbraw/zinc/19/61/44/520196144.db2.gz VXDSVXRPTXSERS-SSDOTTSWSA-N 1 0 264.251 0.755 10 0 CCAERO CCNC(=O)CN(CC)C(=O)C[C@H]1CCC[C@H]([NH3+])C1 ZINC000055135233 521736294 /nfs/dbraw/zinc/73/62/94/521736294.db2.gz FYUHGHHQNVHGJA-RYUDHWBXSA-N 1 0 269.389 0.879 10 0 CCAERO C[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000423648400 533759946 /nfs/dbraw/zinc/75/99/46/533759946.db2.gz RMYRWRDJLCNGHC-GMXVVIOVSA-N 1 0 275.352 0.753 10 0 CCAERO CC(C)(C(=O)NC[C@H]1C[NH2+]C[C@H]1O)c1ccccc1 ZINC000262217117 534351792 /nfs/dbraw/zinc/35/17/92/534351792.db2.gz JDTMPWHUHIWOAV-DGCLKSJQSA-N 1 0 262.353 0.661 10 0 CCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2nccn(C)c2=O)C1 ZINC000183867640 519692230 /nfs/dbraw/zinc/69/22/30/519692230.db2.gz VAFOSEYWCWEKEU-MNOVXSKESA-N 1 0 293.371 0.631 10 0 CCAERO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cccnc1N ZINC000050708746 519793640 /nfs/dbraw/zinc/79/36/40/519793640.db2.gz AAUMJLZGGXRJLR-LLVKDONJSA-N 1 0 250.346 0.980 10 0 CCAERO CC(C)[C@H](CN(C)C)[NH2+]C1CCS(=O)(=O)CC1 ZINC000049197683 519814478 /nfs/dbraw/zinc/81/44/78/519814478.db2.gz KCCHBEZUIQDDHW-LBPRGKRZSA-N 1 0 262.419 0.739 10 0 CCAERO CCCNC(=O)CNC(=O)[C@@H]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000055128631 519879294 /nfs/dbraw/zinc/87/92/94/519879294.db2.gz OWOGFWYXTHSMHQ-MXWKQRLJSA-N 1 0 255.362 0.392 10 0 CCAERO CC[NH2+]C(C)(C)C(=O)N(CCOC)[C@@H](C)COC ZINC000061299129 519903880 /nfs/dbraw/zinc/90/38/80/519903880.db2.gz XAAYNKGZUOWRIF-NSHDSACASA-N 1 0 260.378 0.884 10 0 CCAERO CCCN[C@H](CC[N@H+](CCOC)[C@@H](C)CC)C(N)=O ZINC000062522872 520074754 /nfs/dbraw/zinc/07/47/54/520074754.db2.gz AVAFKDNVRXOWFA-QWHCGFSZSA-N 1 0 273.421 0.977 10 0 CCAERO CCN[C@H](CC[NH+]1CCC(OCC)CC1)C(N)=O ZINC000062453395 520188603 /nfs/dbraw/zinc/18/86/03/520188603.db2.gz VSQFQHPFNJOVMT-GFCCVEGCSA-N 1 0 257.378 0.341 10 0 CCAERO CC[N@H+](C)CCNS(=O)(=O)c1ccc(N)cc1C ZINC000054111618 520236553 /nfs/dbraw/zinc/23/65/53/520236553.db2.gz KTCOIRXNRWQPEC-UHFFFAOYSA-N 1 0 271.386 0.807 10 0 CCAERO CC[NH+](CC)CCc1noc([C@H](N)CCOC)n1 ZINC000052785347 520714316 /nfs/dbraw/zinc/71/43/16/520714316.db2.gz MAVBPXOXTUQTNB-SNVBAGLBSA-N 1 0 256.350 0.990 10 0 CCAERO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(N)nn1 ZINC000050708964 520718024 /nfs/dbraw/zinc/71/80/24/520718024.db2.gz FKGALVMONZQRFI-SECBINFHSA-N 1 0 251.334 0.519 10 0 CCAERO CC[NH+](CC)[C@H]1CCN(C(=O)c2c[nH]nc2N)C1 ZINC000062983582 520872249 /nfs/dbraw/zinc/87/22/49/520872249.db2.gz JSIAEFGWOIJWER-VIFPVBQESA-N 1 0 251.334 0.548 10 0 CCAERO CC1CCN(S(=O)(=O)NC[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000062037473 521027490 /nfs/dbraw/zinc/02/74/90/521027490.db2.gz OYEQPOUNMJPOPN-QWHCGFSZSA-N 1 0 289.445 0.941 10 0 CCAERO CCC(CC)(CO)CNC(=O)[C@@H]([NH3+])CCSC ZINC000157978370 521449424 /nfs/dbraw/zinc/44/94/24/521449424.db2.gz NZZYADQMQDVTSN-JTQLQIEISA-N 1 0 262.419 0.982 10 0 CCAERO CC[N@@H+]1CC[C@H](CNCC(=O)N[C@@H](C)COC)C1 ZINC000049290744 521717347 /nfs/dbraw/zinc/71/73/47/521717347.db2.gz WKBMYTRVTQKXCG-NWDGAFQWSA-N 1 0 257.378 0.069 10 0 CCAERO CCNC(=O)CNC(=O)[C@@H]1CCC[C@H](CC[NH3+])C1 ZINC000055146452 521737967 /nfs/dbraw/zinc/73/79/67/521737967.db2.gz PRRSOVZLAVJQNP-GHMZBOCLSA-N 1 0 255.362 0.394 10 0 CCAERO CNC(=O)c1ccccc1NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000163852316 521916562 /nfs/dbraw/zinc/91/65/62/521916562.db2.gz GOUZQLDFSLWOAU-VIFPVBQESA-N 1 0 261.325 0.840 10 0 CCAERO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2[C@@H]1CCS(=O)(=O)C1 ZINC000054627667 521956709 /nfs/dbraw/zinc/95/67/09/521956709.db2.gz UATSJTQQEJOXJL-FGNRJIRKSA-N 1 0 258.387 0.388 10 0 CCAERO CNS(=O)(=O)c1ccc(O[C@@H](C)C[NH2+]C)cc1 ZINC000051867422 522072586 /nfs/dbraw/zinc/07/25/86/522072586.db2.gz YSARRQXIRVFXPL-VIFPVBQESA-N 1 0 258.343 0.581 10 0 CCAERO C[NH2+]Cc1cc(CN(C)[C@H]2CCS(=O)(=O)C2)oc1C ZINC000052482775 522104409 /nfs/dbraw/zinc/10/44/09/522104409.db2.gz HFXQJOVPRKERLC-LBPRGKRZSA-N 1 0 286.397 0.926 10 0 CCAERO CC[C@@H](C)[NH+]1CCN(C[C@@H]([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000055070404 522121778 /nfs/dbraw/zinc/12/17/78/522121778.db2.gz CGSNXJQKVRLPJW-DGCLKSJQSA-N 1 0 269.389 0.608 10 0 CCAERO C[NH2+]Cc1nc(CN(C)[C@@H]2CCS(=O)(=O)C2)cs1 ZINC000052482666 522150732 /nfs/dbraw/zinc/15/07/32/522150732.db2.gz BCGZWJSWRQAPEX-SNVBAGLBSA-N 1 0 289.426 0.481 10 0 CCAERO C[NH2+][C@H](C)C(=O)N1CCN(c2ccccc2OC)CC1 ZINC000054071773 522437841 /nfs/dbraw/zinc/43/78/41/522437841.db2.gz WMYPOPJLGMOANV-GFCCVEGCSA-N 1 0 277.368 0.952 10 0 CCAERO CCc1[nH+]c2cc(N)ccc2n1CCNS(C)(=O)=O ZINC000052852906 522485676 /nfs/dbraw/zinc/48/56/76/522485676.db2.gz IGLGZCNQBRLRAJ-UHFFFAOYSA-N 1 0 282.369 0.730 10 0 CCAERO CC[C@H](Oc1cc(OC)ccc1CC[NH3+])C(N)=O ZINC000061678447 522868744 /nfs/dbraw/zinc/86/87/44/522868744.db2.gz MVSHGXLNDKGCPL-NSHDSACASA-N 1 0 252.314 0.839 10 0 CCAERO COCc1cccc(NS(=O)(=O)CCC[NH3+])c1 ZINC000049509821 523078924 /nfs/dbraw/zinc/07/89/24/523078924.db2.gz WOYAUIJPXWQCQU-UHFFFAOYSA-N 1 0 258.343 0.924 10 0 CCAERO COCC[N@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)[O-] ZINC000049607611 523728866 /nfs/dbraw/zinc/72/88/66/523728866.db2.gz NZVVILNUPDMDGC-GFCCVEGCSA-N 1 0 258.362 0.894 10 0 CCAERO COCCNC(=O)COc1ccccc1[C@@H](C)[NH3+] ZINC000049277642 523899277 /nfs/dbraw/zinc/89/92/77/523899277.db2.gz KHEPQVCPJIMRAU-SNVBAGLBSA-N 1 0 252.314 0.848 10 0 CCAERO COCC[NH2+]C[C@H]1CCCN1c1ccnc(C)n1 ZINC000054937598 523943455 /nfs/dbraw/zinc/94/34/55/523943455.db2.gz KYMBVLKKRCZIIX-GFCCVEGCSA-N 1 0 250.346 0.990 10 0 CCAERO COCC[NH2+]Cc1cc(C)nc(N2CCOCC2)n1 ZINC000054832660 523948569 /nfs/dbraw/zinc/94/85/69/523948569.db2.gz GUAXZMGLVOQBCZ-UHFFFAOYSA-N 1 0 266.345 0.358 10 0 CCAERO CO[C@H]1C[NH2+][C@@H](CN2CCN(CC(F)(F)F)CC2)C1 ZINC000061947971 524009062 /nfs/dbraw/zinc/00/90/62/524009062.db2.gz FBLKQZTYLNHYKZ-GHMZBOCLSA-N 1 0 281.322 0.543 10 0 CCAERO CNC(=O)[C@@H]1CCCN1C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055141642 524082264 /nfs/dbraw/zinc/08/22/64/524082264.db2.gz BXRCMWKFLQPLKN-SRVKXCTJSA-N 1 0 267.373 0.631 10 0 CCAERO C[C@H](CCc1ccco1)NS(=O)(=O)CCC[NH3+] ZINC000049568742 524260062 /nfs/dbraw/zinc/26/00/62/524260062.db2.gz OXDSUDDJGYVHBA-SNVBAGLBSA-N 1 0 260.359 0.869 10 0 CCAERO COc1ccccc1CCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000150723392 524418511 /nfs/dbraw/zinc/41/85/11/524418511.db2.gz DOEUVAVIUONABM-RYUDHWBXSA-N 1 0 264.325 0.077 10 0 CCAERO C[C@H]([NH3+])Cc1nc2cc(S(C)(=O)=O)ccc2[nH]1 ZINC000050227357 524835723 /nfs/dbraw/zinc/83/57/23/524835723.db2.gz RMSBEFTYRYXYIR-ZETCQYMHSA-N 1 0 253.327 0.856 10 0 CCAERO C[C@@H](Cc1ccco1)NC(=O)CN1CCC[NH2+]CC1 ZINC000061270628 524925268 /nfs/dbraw/zinc/92/52/68/524925268.db2.gz CLUKIMJXFMDURD-LBPRGKRZSA-N 1 0 265.357 0.622 10 0 CCAERO Cc1cc(F)ccc1[C@H](C(N)=O)N1CC[NH2+]CC1 ZINC000050579689 525007003 /nfs/dbraw/zinc/00/70/03/525007003.db2.gz LBCKFGBUYIFBHH-GFCCVEGCSA-N 1 0 251.305 0.566 10 0 CCAERO COc1ccc([C@@H](NCC[NH+](C)C)C(N)=O)cc1C ZINC000050597163 525200303 /nfs/dbraw/zinc/20/03/03/525200303.db2.gz VOMUVZACNTXHQS-CYBMUJFWSA-N 1 0 265.357 0.681 10 0 CCAERO CSCC[C@@H]([NH3+])C(=O)NCCCC(C)(C)CO ZINC000157431522 525541745 /nfs/dbraw/zinc/54/17/45/525541745.db2.gz FAQOOQDUPSYWNF-SNVBAGLBSA-N 1 0 262.419 0.982 10 0 CCAERO C[C@@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)N[C@@H]1CCCNC1=O ZINC000055131445 525664512 /nfs/dbraw/zinc/66/45/12/525664512.db2.gz CQZQENTWVBUBCD-XWLWVQCSSA-N 1 0 253.346 0.145 10 0 CCAERO C[C@@]([NH3+])(CN1CCS(=O)CC1)c1ccccc1 ZINC000052883538 525751812 /nfs/dbraw/zinc/75/18/12/525751812.db2.gz NMQXVWMTXYWPJX-CYBMUJFWSA-N 1 0 252.383 0.925 10 0 CCAERO CC(=O)c1ccccc1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262401846 534913726 /nfs/dbraw/zinc/91/37/26/534913726.db2.gz YQJJOONIMPMVNB-GWCFXTLKSA-N 1 0 262.309 0.199 10 0 CCAERO O=C(NCc1ccc(F)cc1F)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000051017867 526676471 /nfs/dbraw/zinc/67/64/71/526676471.db2.gz BFKANQVTQPEKMF-ONGXEEELSA-N 1 0 256.252 0.304 10 0 CCAERO O=C(N[C@@H]1CCCC[C@H]1CO)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000364976929 526889065 /nfs/dbraw/zinc/88/90/65/526889065.db2.gz GFHRTIOBTQXBFV-MJBXVCDLSA-N 1 0 281.400 0.044 10 0 CCAERO NC(=O)c1ccc(N2CCC[C@@H]2[C@@H]2CCC[NH2+]2)nc1 ZINC000051360486 527057404 /nfs/dbraw/zinc/05/74/04/527057404.db2.gz OWJQITPOTSBHEZ-NWDGAFQWSA-N 1 0 260.341 0.901 10 0 CCAERO O=S(=O)(C[C@@H]1CCC[NH2+]1)NCCc1ccncc1 ZINC000049644126 527182475 /nfs/dbraw/zinc/18/24/75/527182475.db2.gz CAYCHXGSARWAMJ-LBPRGKRZSA-N 1 0 269.370 0.296 10 0 CCAERO [NH3+]Cc1ccc(OCC(=O)N2CC[C@@H](O)C2)cc1 ZINC000061707651 527256520 /nfs/dbraw/zinc/25/65/20/527256520.db2.gz OQGMIYWSMXGTNK-LLVKDONJSA-N 1 0 250.298 0.117 10 0 CCAERO O[C@H](C[NH2+][C@@H]1CO[C@@H](C2CC2)C1)CN1CCCCC1 ZINC000667797914 545156373 /nfs/dbraw/zinc/15/63/73/545156373.db2.gz AQWSXCAOFIXBPZ-RRFJBIMHSA-N 1 0 268.401 0.990 10 0 CCAERO O=C(NC1CC(c2ccccc2)C1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000156108613 527484501 /nfs/dbraw/zinc/48/45/01/527484501.db2.gz SAYYVWGNNIBZNF-PQAZSJQKSA-N 1 0 260.337 0.772 10 0 CCAERO OC[C@H]1C[C@@H](O)C[N@@H+]1CCc1nc(-c2ccccc2)no1 ZINC000184716145 527622568 /nfs/dbraw/zinc/62/25/68/527622568.db2.gz KZIUIJJMVPZSDW-CHWSQXEVSA-N 1 0 289.335 0.707 10 0 CCAERO CCOC(=O)c1ccc(NC[C@@H]2C[NH2+]C[C@H]2O)nc1 ZINC000420250635 528238395 /nfs/dbraw/zinc/23/83/95/528238395.db2.gz KBSGGPYPVVIFBF-WDEREUQCSA-N 1 0 265.313 0.251 10 0 CCAERO CC(C)[N@H+]1C[C@H](NC(=O)N2CC(C)(CO)C2)[C@@H](C)C1 ZINC000333631743 529101845 /nfs/dbraw/zinc/10/18/45/529101845.db2.gz QZOOMAINJSLWNH-RYUDHWBXSA-N 1 0 269.389 0.739 10 0 CCAERO CCCCNC(=O)N1CC(OC2CC[NH2+]CC2)C1 ZINC000675053972 545320528 /nfs/dbraw/zinc/32/05/28/545320528.db2.gz BOMFIOURGHJYIS-UHFFFAOYSA-N 1 0 255.362 0.949 10 0 CCAERO CCS(=O)(=O)N1CCOc2ccccc2[C@H]1C[NH3+] ZINC000675058083 545320576 /nfs/dbraw/zinc/32/05/76/545320576.db2.gz RKXBYTFIAJMHPM-LLVKDONJSA-N 1 0 270.354 0.731 10 0 CCAERO CCCC(=O)NC[C@]12C[NH2+]C[C@H]1S(=O)(=O)CCC2 ZINC000675073628 545320995 /nfs/dbraw/zinc/32/09/95/545320995.db2.gz RARZMDRTMOSKNV-PWSUYJOCSA-N 1 0 274.386 0.070 10 0 CCAERO CC(C)C(=O)N1C[C@@H]2[C@@](C[NH3+])(C1)CCCS2(=O)=O ZINC000675072225 545321088 /nfs/dbraw/zinc/32/10/88/545321088.db2.gz AAHBDSCMJKWOGS-PWSUYJOCSA-N 1 0 274.386 0.007 10 0 CCAERO Cn1cnc(C2=C[C@H]([NH3+])CN(C(=O)OC(C)(C)C)C2)n1 ZINC000675078407 545321268 /nfs/dbraw/zinc/32/12/68/545321268.db2.gz PGYLIJWDNNJVFO-JTQLQIEISA-N 1 0 279.344 0.777 10 0 CCAERO CCCn1[nH]cc/c1=N\C(=O)CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261781711 535578066 /nfs/dbraw/zinc/57/80/66/535578066.db2.gz UBJLGJBMMWWOKX-SLDGYZHNSA-N 1 0 293.415 0.713 10 0 CCAERO CCOCCN(CC)C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261891739 535583977 /nfs/dbraw/zinc/58/39/77/535583977.db2.gz GQRUCSDZRAKWJZ-KGLIPLIRSA-N 1 0 294.399 0.608 10 0 CCAERO CCN(CCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)c1cccc(C)c1 ZINC000262313136 535733182 /nfs/dbraw/zinc/73/31/82/535733182.db2.gz BRURITBYTCWOKK-GJZGRUSLSA-N 1 0 291.395 0.660 10 0 CCAERO COC[C@@H]([NH3+])C(=O)NCc1ccc(-n2ccnc2C)nc1 ZINC000262358170 536661820 /nfs/dbraw/zinc/66/18/20/536661820.db2.gz VERSZOZLKASSSJ-GFCCVEGCSA-N 1 0 289.339 0.166 10 0 CCAERO COC[C@@H]([NH3+])C(=O)Nc1ccccc1C(=O)NC(C)C ZINC000262166598 536671650 /nfs/dbraw/zinc/67/16/50/536671650.db2.gz JRGJXYFYIJZFAY-LLVKDONJSA-N 1 0 279.340 0.737 10 0 CCAERO C[C@H]([NH2+]CC[C@H]1CCS(=O)(=O)C1)[C@H]1CCCO1 ZINC000680409539 545427895 /nfs/dbraw/zinc/42/78/95/545427895.db2.gz JRLYGYUVUSHYOB-SDDRHHMPSA-N 1 0 261.387 0.968 10 0 CCAERO COc1cc(N(C)C(=O)C2C[NH2+]C2)cc(OC)c1OC ZINC000262153111 536822335 /nfs/dbraw/zinc/82/23/35/536822335.db2.gz ADEIGJJQFSMDDM-UHFFFAOYSA-N 1 0 280.324 0.895 10 0 CCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000252442017 536860659 /nfs/dbraw/zinc/86/06/59/536860659.db2.gz GBGPSXMXHKZTPO-BFHYXJOUSA-N 1 0 299.415 0.964 10 0 CCAERO COc1ccc2nc(CNC[C@@H]3C[NH2+]C[C@@H]3O)sc2c1 ZINC000263212651 537053506 /nfs/dbraw/zinc/05/35/06/537053506.db2.gz KKWNXCHHHGYESO-CABZTGNLSA-N 1 0 293.392 0.975 10 0 CCAERO O[C@H]1C[NH2+]C[C@H]1Oc1cnn(Cc2ccccc2)c1 ZINC000399680746 570316386 /nfs/dbraw/zinc/31/63/86/570316386.db2.gz AKIZLZCBDWSEIB-UONOGXRCSA-N 1 0 259.309 0.643 10 0 CCAERO O[C@H]1C[NH2+]C[C@@H]1Oc1cnn(Cc2ccccc2)c1 ZINC000399680426 570316436 /nfs/dbraw/zinc/31/64/36/570316436.db2.gz AKIZLZCBDWSEIB-KBPBESRZSA-N 1 0 259.309 0.643 10 0 CCAERO [NH3+][C@H](CS(=O)(=O)N1CCCCC1)C1CCOCC1 ZINC000757149254 581680814 /nfs/dbraw/zinc/68/08/14/581680814.db2.gz AIUNIJWLTAJQKB-GFCCVEGCSA-N 1 0 276.402 0.556 10 0 CCAERO [NH3+][C@H](CS(=O)(=O)N1CCOCC1)C1CCCCC1 ZINC000757151580 581681300 /nfs/dbraw/zinc/68/13/00/581681300.db2.gz IHIDGWGSMHPBIE-GFCCVEGCSA-N 1 0 276.402 0.556 10 0 CCAERO CCn1ncnc1[C@H]1C[NH2+]C[C@H]1C(=O)OC(C)(C)C ZINC000757186926 581685119 /nfs/dbraw/zinc/68/51/19/581685119.db2.gz GXZCQRYBBWFZNN-VHSXEESVSA-N 1 0 266.345 0.943 10 0 CCAERO CSCC[C@@H](C)NC(=O)C1(C[NH3+])CCOCC1 ZINC000130577463 617240079 /nfs/dbraw/zinc/24/00/79/617240079.db2.gz LOKIKCJMLOGXGC-SNVBAGLBSA-N 1 0 260.403 1.000 10 0 CCAERO CC1(C(=O)N2CCC[C@@H]2c2ccc(N)nn2)C[NH2+]C1 ZINC000886096364 614431028 /nfs/dbraw/zinc/43/10/28/614431028.db2.gz CEUGXOSIYGQRBY-SNVBAGLBSA-N 1 0 261.329 0.332 10 0 CCAERO CCCCOC[C@H](O)C[N@@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000300296655 614452737 /nfs/dbraw/zinc/45/27/37/614452737.db2.gz YQSHIKABFOLQCH-YNEHKIRRSA-N 1 0 273.373 0.905 10 0 CCAERO CCc1cc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)no1 ZINC000896415445 615616898 /nfs/dbraw/zinc/61/68/98/615616898.db2.gz KBXIGNOWKUKTAZ-NSHDSACASA-N 1 0 267.329 0.640 10 0 CCAERO C[NH+](C)C[C@@H]1CN(Cn2cc(Cl)cn2)CCO1 ZINC000152992165 615931086 /nfs/dbraw/zinc/93/10/86/615931086.db2.gz YYRBPVGMMYHAJZ-LLVKDONJSA-N 1 0 258.753 0.756 10 0 CCAERO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H](O)c1cnc[nH]1 ZINC000865190605 616196794 /nfs/dbraw/zinc/19/67/94/616196794.db2.gz BPNMQYQNMIQAAV-FRRDWIJNSA-N 1 0 278.356 0.528 10 0 CCAERO Cn1ncc(CCC(=O)N2C[C@H]3CC[N@H+](C)C[C@@H]3C2)n1 ZINC000908332312 616314856 /nfs/dbraw/zinc/31/48/56/616314856.db2.gz ZZIIPMQEFDJEJD-VXGBXAGGSA-N 1 0 277.372 0.158 10 0 CCAERO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cccn4nnnc34)C[C@H]2C1 ZINC000897802206 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CN1CCN(S(=O)(=O)/C=C\c2ccccc2)[C@H](C[NH3+])C1 ZINC000312151700 625381949 /nfs/dbraw/zinc/38/19/49/625381949.db2.gz MHOVOSXOVMDBHN-JKEYDSJLSA-N 1 0 295.408 0.562 10 0 CCAERO CCC[C@H](C(=O)NN=c1cc(Cl)[nH]c(N)n1)[NH+](C)C ZINC000182791778 625393412 /nfs/dbraw/zinc/39/34/12/625393412.db2.gz HAZLNRIFLBAOHG-SSDOTTSWSA-N 1 0 286.767 0.886 10 0 CCAERO C[NH2+][C@](C)(Cn1nc(C)c(Br)c1C)C(N)=O ZINC000050594962 622834549 /nfs/dbraw/zinc/83/45/49/622834549.db2.gz LTWXQACAMZPYHK-SNVBAGLBSA-N 1 0 289.177 0.726 10 0 CCAERO O=S(=O)(/C=C/c1ccccc1)N[C@@H]1CC[NH2+]C1 ZINC000052093552 622858811 /nfs/dbraw/zinc/85/88/11/622858811.db2.gz GLVOSSPVAJWIMB-YPUOHESYSA-N 1 0 252.339 0.939 10 0 CCAERO C[C@]1(C(=O)NC[C@H](O)C(F)(F)F)CCC[NH2+]C1 ZINC000227419796 622966771 /nfs/dbraw/zinc/96/67/71/622966771.db2.gz XPBPINRZNDVIRY-CBAPKCEASA-N 1 0 254.252 0.416 10 0 CCAERO CCCC(=O)N[C@H]1CCC[N@H+](CC(OC)OC)C1 ZINC000160817611 624833611 /nfs/dbraw/zinc/83/36/11/624833611.db2.gz TWUPRZMOHXAQSV-NSHDSACASA-N 1 0 258.362 0.986 10 0 CCAERO CCOCC[N@@H+]1CCN(CC(OC)OC)C[C@@H]1C ZINC000160949413 624862925 /nfs/dbraw/zinc/86/29/25/624862925.db2.gz RVLNVDJUOCHOBE-LBPRGKRZSA-N 1 0 260.378 0.648 10 0 CCAERO [NH3+][C@@H](CO)C(=O)NCCc1ccc(Br)cc1 ZINC000258867523 625012136 /nfs/dbraw/zinc/01/21/36/625012136.db2.gz FQVAMNQJFNXQLR-JTQLQIEISA-N 1 0 287.157 0.427 10 0 CCAERO C[C@](O)(C[N@@H+]1CCC[C@@](O)(CO)C1)c1ccccc1 ZINC000313644231 625866520 /nfs/dbraw/zinc/86/65/20/625866520.db2.gz TXAIUXMQMYZLJL-GJZGRUSLSA-N 1 0 265.353 0.713 10 0 CCAERO C[NH2+]CCN(C)C(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000237312717 632494165 /nfs/dbraw/zinc/49/41/65/632494165.db2.gz CZFQJIPZGIKFCR-NSHDSACASA-N 1 0 278.356 0.874 10 0 CCAERO O=C(N1CCC[C@@H](Cn2cncn2)C1)C12CC[NH+](CC1)C2 ZINC000900777485 634086096 /nfs/dbraw/zinc/08/60/96/634086096.db2.gz PFRYLHZOSZGOFD-CYBMUJFWSA-N 1 0 289.383 0.613 10 0 CCAERO Cc1n[nH]c(C)c1S(=O)(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000226092518 636963374 /nfs/dbraw/zinc/96/33/74/636963374.db2.gz CMBGRFQGLQQKFC-KWQFWETISA-N 1 0 286.401 0.597 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CSCN2C(C)=O)C1 ZINC000171267974 637124850 /nfs/dbraw/zinc/12/48/50/637124850.db2.gz ZCVMWVBUALQYHX-NEPJUHHUSA-N 1 0 285.413 0.508 10 0 CCAERO C(c1noc([C@@H]2COCCO2)n1)[C@H]1CCC[NH2+]C1 ZINC000063084450 637195950 /nfs/dbraw/zinc/19/59/50/637195950.db2.gz DGCBFAGDLXSNPT-ZJUUUORDSA-N 1 0 253.302 0.700 10 0 CCAERO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC2(C1)OCCO2 ZINC000173832067 637229883 /nfs/dbraw/zinc/22/98/83/637229883.db2.gz SOMDTAQCBVMOIW-LBPRGKRZSA-N 1 0 285.388 0.875 10 0 CCAERO CO[C@H](C)CC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000174346211 637259497 /nfs/dbraw/zinc/25/94/97/637259497.db2.gz SIWMTKIGSSCYMQ-IJLUTSLNSA-N 1 0 258.362 0.325 10 0 CCAERO CC[C@H]1CC(=O)N(CN2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000245857257 637623326 /nfs/dbraw/zinc/62/33/26/637623326.db2.gz GMYLBUGOKQEZGV-STQMWFEESA-N 1 0 251.374 0.982 10 0 CCAERO COC(=O)N[C@H](CC(C)C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000186754639 639840880 /nfs/dbraw/zinc/84/08/80/639840880.db2.gz LYUSHKOAAHKMQE-QJPTWQEYSA-N 1 0 285.388 0.871 10 0 CCAERO C[C@@H]1CN(C(=O)CN2CC[N@@H+]3CCC[C@@H]3C2)CCO1 ZINC000171642124 639892731 /nfs/dbraw/zinc/89/27/31/639892731.db2.gz PWOBSWGJUVPBEJ-CHWSQXEVSA-N 1 0 267.373 0.014 10 0 CCAERO F[C@H]1C[C@@H](C[NH2+]Cc2cc[nH]n2)N(Cc2cncnc2)C1 ZINC000886048350 647895485 /nfs/dbraw/zinc/89/54/85/647895485.db2.gz YRMCNFHCTNSYPB-JSGCOSHPSA-N 1 0 290.346 0.902 10 0 CCAERO C[C@H]1CN(C(=O)CCCCC[NH3+])C[C@H]1N1CCOCC1 ZINC000155820028 649293350 /nfs/dbraw/zinc/29/33/50/649293350.db2.gz JSKBASRHIJOCSW-UONOGXRCSA-N 1 0 283.416 0.685 10 0 CCAERO CCC[C@H](C(=O)NCC1(C)OCCCO1)[NH+](C)C ZINC000191102354 649467372 /nfs/dbraw/zinc/46/73/72/649467372.db2.gz RVVRMQABNPYRQF-LLVKDONJSA-N 1 0 258.362 0.986 10 0 CCAERO Cn1nccc1CNC(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000089399361 649656743 /nfs/dbraw/zinc/65/67/43/649656743.db2.gz BFJZTBGBGUERKO-JQWIXIFHSA-N 1 0 250.346 0.801 10 0 CCAERO [NH3+]CCn1cc(-c2nc(Cc3ccncc3)no2)nn1 ZINC000089696299 649662048 /nfs/dbraw/zinc/66/20/48/649662048.db2.gz XHZRQSONSGLTNB-UHFFFAOYSA-N 1 0 271.284 0.273 10 0 CCAERO CC[C@@H]1CN(CCC2OCCO2)CC[N@@H+]1C[C@H](C)O ZINC000248628968 649735271 /nfs/dbraw/zinc/73/52/71/649735271.db2.gz QYMZZICLNLWSEX-QWHCGFSZSA-N 1 0 272.389 0.526 10 0 CCAERO COC(=O)[C@@H]1CC[C@H](C(=O)N2CC[N@@H+]3CCC[C@H]3C2)O1 ZINC000248677106 649735809 /nfs/dbraw/zinc/73/58/09/649735809.db2.gz ANQXNECSRUCUTF-TUAOUCFPSA-N 1 0 282.340 0.014 10 0 CCAERO C(c1nc([C@H]2CN3CCN2CC3)no1)[C@@H]1CCC[NH2+]C1 ZINC000094506523 649743803 /nfs/dbraw/zinc/74/38/03/649743803.db2.gz ZZSPOXJAZDGCMC-NWDGAFQWSA-N 1 0 277.372 0.284 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)CN1C[C@@H](OC)CC1=O ZINC000249506193 649746582 /nfs/dbraw/zinc/74/65/82/649746582.db2.gz YMALAUFWSZOBIQ-OLZOCXBDSA-N 1 0 269.389 0.607 10 0 CCAERO CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000250753556 649787800 /nfs/dbraw/zinc/78/78/00/649787800.db2.gz HRLMIWXKCIZNEW-BFHYXJOUSA-N 1 0 281.400 0.879 10 0 CCAERO C[C@H](CCc1ccco1)[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O ZINC000251071035 649802463 /nfs/dbraw/zinc/80/24/63/649802463.db2.gz FJVFNGCVNOKMGF-YUSALJHKSA-N 1 0 273.354 0.348 10 0 CCAERO COC[C@](C)([NH2+]CCC[NH+]1CCCCC1)C(=O)[O-] ZINC000695297568 976791287 /nfs/dbraw/zinc/79/12/87/976791287.db2.gz SIAWCSRANJOVRJ-ZDUSSCGKSA-N 1 0 258.362 0.942 10 0 CCAERO C[C@H](c1cnccn1)S(=O)(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000100256041 230391750 /nfs/dbraw/zinc/39/17/50/230391750.db2.gz YAEMRRIZGLFBBF-MNOVXSKESA-N 1 0 284.385 0.538 10 0 CCAERO CCC(=O)N1CC[C@H](NC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)C1 ZINC000091705972 349472987 /nfs/dbraw/zinc/47/29/87/349472987.db2.gz GVYVRDIMOVVNMU-AGIUHOORSA-N 1 0 296.415 0.779 10 0 CCAERO Cc1nn(C)c(C)c1CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000092328898 349490131 /nfs/dbraw/zinc/49/01/31/349490131.db2.gz DOJJNAHRYJCRQZ-LDYMZIIASA-N 1 0 250.346 0.509 10 0 CCAERO C[C@H](Sc1cnccn1)C(=O)N1CC[NH2+]CC1 ZINC000082655102 178142793 /nfs/dbraw/zinc/14/27/93/178142793.db2.gz FLMMVAVDGAHMJI-VIFPVBQESA-N 1 0 252.343 0.389 10 0 CCAERO Cc1[nH]c(=S)sc1CC(=O)N1CC[NH2+]CC1 ZINC000082655376 178143758 /nfs/dbraw/zinc/14/37/58/178143758.db2.gz NPFBWAODPAQBFE-UHFFFAOYSA-N 1 0 257.384 0.715 10 0 CCAERO C[N@@H+]1CC[C@H]2C[C@H](C(=O)NCCc3ccccn3)O[C@H]2C1 ZINC000096043290 185070441 /nfs/dbraw/zinc/07/04/41/185070441.db2.gz DFHDXXBLIOBXTG-CFVMTHIKSA-N 1 0 289.379 0.850 10 0 CCAERO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CNC(=O)C2)C1 ZINC000617350692 365617102 /nfs/dbraw/zinc/61/71/02/365617102.db2.gz ARCXDVKLWXCQGL-NXEZZACHSA-N 1 0 253.346 0.112 10 0 CCAERO C[NH+](C)C[C@@H]1CN(C[C@H]2CC3(CCC3)C(=O)O2)CCO1 ZINC000253351059 282127738 /nfs/dbraw/zinc/12/77/38/282127738.db2.gz OFBBCLRNHQJBLM-CHWSQXEVSA-N 1 0 282.384 0.735 10 0 CCAERO Cc1noc([C@@H]2C[N@H+](Cc3cccnc3)C[C@H]2CO)n1 ZINC000253413762 352533664 /nfs/dbraw/zinc/53/36/64/352533664.db2.gz VPRQYJSIQBJFJY-QWHCGFSZSA-N 1 0 274.324 0.981 10 0 CCAERO CCOC(=O)COCC[N@@H+]1CCC[C@H]1CCCO ZINC000094805401 349575679 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/nfs/dbraw/zinc/28/21/42/286282142.db2.gz LIWFDNKLXXPHHX-VXGBXAGGSA-N 1 0 291.413 0.595 10 0 CCAERO CCO[C@@H]1C[C@H](NC(=O)N2CCC[C@H]([NH3+])C2)[C@]12CCCO2 ZINC000333728504 286351014 /nfs/dbraw/zinc/35/10/14/286351014.db2.gz HKLNUFLRDFPRTI-RMRHIDDWSA-N 1 0 297.399 0.846 10 0 CCAERO CCO[C@@H]1C[C@H](NC(=O)N[C@H]2CC[NH2+]C2)C12CCOCC2 ZINC000333857448 286369047 /nfs/dbraw/zinc/36/90/47/286369047.db2.gz YOYZQNFZNDGIBR-RWMBFGLXSA-N 1 0 297.399 0.622 10 0 CCAERO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCOC1 ZINC000408072748 286620383 /nfs/dbraw/zinc/62/03/83/286620383.db2.gz SZAJUSRDGVGOGH-GRYCIOLGSA-N 1 0 276.402 0.473 10 0 CCAERO C[C@@H]1CN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C[C@H]1N1CCOCC1 ZINC000261803857 296815790 /nfs/dbraw/zinc/81/57/90/296815790.db2.gz MUEXRRFZXZLTAR-LXTVHRRPSA-N 1 0 295.427 0.683 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCCO[C@@H]1CC1(F)F ZINC000659345368 413437352 /nfs/dbraw/zinc/43/73/52/413437352.db2.gz IZUUTUHAHSWUJQ-LPEHRKFASA-N 1 0 262.300 0.902 10 0 CCAERO CC(C)(C(=O)NC[C@]1(C)CC1(F)F)N1CC[NH2+]CC1 ZINC000659363086 413449174 /nfs/dbraw/zinc/44/91/74/413449174.db2.gz ZNYPTEWRWXXBFJ-LBPRGKRZSA-N 1 0 275.343 0.832 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H](C)NC(C)=O ZINC000174980960 287222673 /nfs/dbraw/zinc/22/26/73/287222673.db2.gz URDDZRDNNNHTJH-RAIGVLPGSA-N 1 0 267.373 0.596 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)N(C)C ZINC000173358045 287224888 /nfs/dbraw/zinc/22/48/88/287224888.db2.gz AVLPTYJPLOAOCP-GHMZBOCLSA-N 1 0 261.391 0.351 10 0 CCAERO O=C(Nc1ccc2c(c1)NC(=O)CO2)[C@H]1CC[NH2+]C1 ZINC000062115929 411686912 /nfs/dbraw/zinc/68/69/12/411686912.db2.gz IRILDQITPLJAAP-QMMMGPOBSA-N 1 0 261.281 0.566 10 0 CCAERO COC[C@@]1(C(=O)N[C@H](C)c2ncc(C)o2)CC[NH2+]C1 ZINC000311716992 411752183 /nfs/dbraw/zinc/75/21/83/411752183.db2.gz OMAKFFOUTOMVTK-ZWNOBZJWSA-N 1 0 267.329 0.786 10 0 CCAERO CC[C@H]1CN(C(=O)C2([NH3+])CCOCC2)[C@@H](C)CO1 ZINC000403949240 411789542 /nfs/dbraw/zinc/78/95/42/411789542.db2.gz LAAWYEJIWWFQEB-QWRGUYRKSA-N 1 0 256.346 0.520 10 0 CCAERO CCO[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C)O2)C[C@H]1C[NH3+] ZINC000405354209 411801334 /nfs/dbraw/zinc/80/13/34/411801334.db2.gz WVIDJFSMTVMQSW-WHOHXGKFSA-N 1 0 256.346 0.376 10 0 CCAERO CCOC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000616570520 411840109 /nfs/dbraw/zinc/84/01/09/411840109.db2.gz MYPDBMYQYNXEMM-OLZOCXBDSA-N 1 0 276.336 0.811 10 0 CCAERO CCOC(=O)C(=O)N1CC[C@H](c2ccccc2)[C@@H]([NH3+])C1 ZINC000616570671 411840434 /nfs/dbraw/zinc/84/04/34/411840434.db2.gz NVDRJHRLJQECLI-OLZOCXBDSA-N 1 0 276.336 0.893 10 0 CCAERO Nc1n[nH]cc1[C@@H]1c2ccccc2CCN1CC[NH3+] ZINC000616679219 411841921 /nfs/dbraw/zinc/84/19/21/411841921.db2.gz FHFSBWNEGLMRPE-ZDUSSCGKSA-N 1 0 257.341 0.898 10 0 CCAERO COc1cc(OC)c(OC)cc1C[C@@H](C[NH3+])CO ZINC000019264724 170763943 /nfs/dbraw/zinc/76/39/43/170763943.db2.gz KPCYCQCOSPDSRO-VIFPVBQESA-N 1 0 255.314 0.822 10 0 CCAERO COc1cccc(OC[C@@H](O)CN2CC[NH2+]CC2)c1 ZINC000019668724 170834416 /nfs/dbraw/zinc/83/44/16/170834416.db2.gz LZVHMPADDOFHMZ-LBPRGKRZSA-N 1 0 266.341 0.340 10 0 CCAERO CCN(C[C@H](O)C[NH3+])S(=O)(=O)c1cccc(C)c1 ZINC000019685655 170839820 /nfs/dbraw/zinc/83/98/20/170839820.db2.gz FZIWGDWXRIQLCT-LLVKDONJSA-N 1 0 272.370 0.325 10 0 CCAERO CN(c1ccccc1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000020247349 171099988 /nfs/dbraw/zinc/09/99/88/171099988.db2.gz GMWXONGOZMLETD-UHFFFAOYSA-N 1 0 255.343 0.273 10 0 CCAERO Cc1n[nH]c(C)c1S(=O)(=O)NCC[C@H]1CCCC[NH2+]1 ZINC000020255730 171110248 /nfs/dbraw/zinc/11/02/48/171110248.db2.gz CNYNWFBDFVAFJM-LLVKDONJSA-N 1 0 286.401 0.837 10 0 CCAERO Cc1csc(NC(=O)[C@H](C)N2CC[NH2+]CC2)n1 ZINC000020269980 171125384 /nfs/dbraw/zinc/12/53/84/171125384.db2.gz PPJLIJCHROBEPL-VIFPVBQESA-N 1 0 254.359 0.684 10 0 CCAERO Cc1csc(NC(=O)[C@@H](C)N2CC[NH2+]CC2)n1 ZINC000020269979 171125397 /nfs/dbraw/zinc/12/53/97/171125397.db2.gz PPJLIJCHROBEPL-SECBINFHSA-N 1 0 254.359 0.684 10 0 CCAERO COCCNS(=O)(=O)c1ccc(CCC[NH3+])cc1 ZINC000020269694 171125561 /nfs/dbraw/zinc/12/55/61/171125561.db2.gz HDIJTUGLKMFCJI-UHFFFAOYSA-N 1 0 272.370 0.503 10 0 CCAERO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCc1cccs1 ZINC000020303000 171140434 /nfs/dbraw/zinc/14/04/34/171140434.db2.gz DHKBNQOGEFVAQI-MRVPVSSYSA-N 1 0 255.343 0.724 10 0 CCAERO CNC(=O)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1OC ZINC000020302894 171140628 /nfs/dbraw/zinc/14/06/28/171140628.db2.gz SNFHGSIQPXLAHN-SECBINFHSA-N 1 0 265.313 0.629 10 0 CCAERO C[C@H]([NH2+]CCc1ccc2c(c1)OCCO2)C(N)=O ZINC000020309471 171143356 /nfs/dbraw/zinc/14/33/56/171143356.db2.gz VVKBVUHMYPTIBT-VIFPVBQESA-N 1 0 250.298 0.464 10 0 CCAERO C[C@H]([NH2+]CCCN(C)c1ccccc1)C(=O)NC(N)=O ZINC000020361847 171160281 /nfs/dbraw/zinc/16/02/81/171160281.db2.gz OUNLQDINBZOIOD-NSHDSACASA-N 1 0 278.356 0.686 10 0 CCAERO C[C@H](C(=O)N1CCCCC1)[N@H+](C)CCC(N)=S ZINC000020420648 171185667 /nfs/dbraw/zinc/18/56/67/171185667.db2.gz ZSANMHGLJMACEY-SNVBAGLBSA-N 1 0 257.403 0.995 10 0 CCAERO Cn1cc([C@@H]([NH3+])c2cccc(S(C)(=O)=O)c2)cn1 ZINC000020476852 171220850 /nfs/dbraw/zinc/22/08/50/171220850.db2.gz XMZBOHFEIKFZKO-LBPRGKRZSA-N 1 0 265.338 0.872 10 0 CCAERO Cn1cc([C@@H]([NH3+])c2ccc(S(C)(=O)=O)cc2)cn1 ZINC000020476822 171220940 /nfs/dbraw/zinc/22/09/40/171220940.db2.gz QSNHWYMDMCHBJT-LBPRGKRZSA-N 1 0 265.338 0.872 10 0 CCAERO Cn1cc([C@H]([NH3+])c2ccc(S(C)(=O)=O)cc2)cn1 ZINC000020476824 171221192 /nfs/dbraw/zinc/22/11/92/171221192.db2.gz QSNHWYMDMCHBJT-GFCCVEGCSA-N 1 0 265.338 0.872 10 0 CCAERO C[C@H]1CN(S(=O)(=O)c2ccccc2C[NH3+])CCO1 ZINC000022164600 171365117 /nfs/dbraw/zinc/36/51/17/171365117.db2.gz GILBDHMPRBZWQS-JTQLQIEISA-N 1 0 270.354 0.555 10 0 CCAERO CC[NH+]1CCN(CC(=O)Nc2ccc(OC)cc2N)CC1 ZINC000022220425 171377683 /nfs/dbraw/zinc/37/76/83/171377683.db2.gz DGPXOZIEXQRHRO-UHFFFAOYSA-N 1 0 292.383 0.853 10 0 CCAERO O=C([C@H]1C[NH2+]CCOC1)N1CCC2(CC2(F)F)CC1 ZINC000653201508 412257791 /nfs/dbraw/zinc/25/77/91/412257791.db2.gz MXNWFRIYOFZFAU-JTQLQIEISA-N 1 0 274.311 0.870 10 0 CCAERO CC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCOC2)[C@H](C)CO1 ZINC000653203386 412258985 /nfs/dbraw/zinc/25/89/85/412258985.db2.gz JEAYFWLMBXSNLX-IJLUTSLNSA-N 1 0 256.346 0.248 10 0 CCAERO C[C@H]1OCC[C@@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653130582 412235567 /nfs/dbraw/zinc/23/55/67/412235567.db2.gz ULVOHVUGVCEKOE-BGZDPUMWSA-N 1 0 266.263 0.678 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000653138779 412238274 /nfs/dbraw/zinc/23/82/74/412238274.db2.gz JTTYJGOABQBLOO-KSSYENDESA-N 1 0 250.342 0.285 10 0 CCAERO Cn1cc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c2ccccc21 ZINC000653138975 412238495 /nfs/dbraw/zinc/23/84/95/412238495.db2.gz PPYZQTWJMNEAJS-IINYFYTJSA-N 1 0 273.336 0.488 10 0 CCAERO O=C(N[C@@H]1CCOC1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653151377 412243832 /nfs/dbraw/zinc/24/38/32/412243832.db2.gz FANOCUSIKYYQRJ-BWZBUEFSSA-N 1 0 252.236 0.289 10 0 CCAERO O=S(=O)(c1cccs1)N1CCOC12CC[NH2+]CC2 ZINC000034936208 171896060 /nfs/dbraw/zinc/89/60/60/171896060.db2.gz MLPFGQJHLOKKQU-UHFFFAOYSA-N 1 0 288.394 0.849 10 0 CCAERO COC(=O)c1occc1C[NH2+]CCN1CCOCC1 ZINC000035054707 171956720 /nfs/dbraw/zinc/95/67/20/171956720.db2.gz DSEDISCKZWSVMM-UHFFFAOYSA-N 1 0 268.313 0.488 10 0 CCAERO C[NH2+][C@@H](C)c1cccc(S(=O)(=O)NCC(=O)OC)c1 ZINC000035633382 172317364 /nfs/dbraw/zinc/31/73/64/172317364.db2.gz SEVPNIWKUYMEHT-VIFPVBQESA-N 1 0 286.353 0.418 10 0 CCAERO O=S1(=O)C[C@H](N2CCC[NH2+]CC2)c2ccccc21 ZINC000035688246 172356626 /nfs/dbraw/zinc/35/66/26/172356626.db2.gz UOSBDFCVCASBBJ-LBPRGKRZSA-N 1 0 266.366 0.810 10 0 CCAERO [NH3+][C@@H]1CC[C@@H]2CN(c3ncnc4nc[nH]c43)C[C@@H]2C1 ZINC000036269255 172563981 /nfs/dbraw/zinc/56/39/81/172563981.db2.gz BUZCXDSCNLPCTM-KXUCPTDWSA-N 1 0 258.329 0.917 10 0 CCAERO CS(=O)(=O)N[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000659871465 413926334 /nfs/dbraw/zinc/92/63/34/413926334.db2.gz TWZXEKPRYOMDEB-UPJWGTAASA-N 1 0 290.429 0.551 10 0 CCAERO CC(=O)[C@@H](NC(=O)CN1CCC([NH+](C)C)CC1)C(C)C ZINC000037328946 173129486 /nfs/dbraw/zinc/12/94/86/173129486.db2.gz FJQHNNIXJLKMGI-HNNXBMFYSA-N 1 0 283.416 0.742 10 0 CCAERO CCCN([C@@H]1CCC[NH2+]C1)S(=O)(=O)N1CCOCC1 ZINC000037540762 173262680 /nfs/dbraw/zinc/26/26/80/173262680.db2.gz BLJNQKGIPRJUAA-GFCCVEGCSA-N 1 0 291.417 0.027 10 0 CCAERO CCCN([C@H]1CCC[NH2+]C1)S(=O)(=O)N1CCOCC1 ZINC000037540763 173262762 /nfs/dbraw/zinc/26/27/62/173262762.db2.gz BLJNQKGIPRJUAA-LBPRGKRZSA-N 1 0 291.417 0.027 10 0 CCAERO CC(C)COC(=O)N(CC(N)=O)[C@@H]1CCC[NH2+]C1 ZINC000037542240 173263713 /nfs/dbraw/zinc/26/37/13/173263713.db2.gz QXNVRHDMBSAPCS-SNVBAGLBSA-N 1 0 257.334 0.318 10 0 CCAERO OC[C@H]1C[C@H](O)C[N@@H+]1CCOCc1ccccc1 ZINC000660147381 414155971 /nfs/dbraw/zinc/15/59/71/414155971.db2.gz FQIDDCZGRQEMPM-KGLIPLIRSA-N 1 0 251.326 0.631 10 0 CCAERO O=S(=O)(NCC[C@@H]1CCCC[NH2+]1)c1cn[nH]c1 ZINC000037744993 173667702 /nfs/dbraw/zinc/66/77/02/173667702.db2.gz HZULFUUMFZEFME-VIFPVBQESA-N 1 0 258.347 0.220 10 0 CCAERO COC(=O)CC[NH2+]C[C@H](O)COCCCC(C)C ZINC000037753209 173676900 /nfs/dbraw/zinc/67/69/00/173676900.db2.gz ZMLIUGQRQKRWFH-LBPRGKRZSA-N 1 0 261.362 0.953 10 0 CCAERO COCCN(C(=O)[C@H]1CCC[NH2+]C1)[C@@H]1CCSC1 ZINC000037810443 173753654 /nfs/dbraw/zinc/75/36/54/173753654.db2.gz JUMOEMZCUJBCKS-NWDGAFQWSA-N 1 0 272.414 0.967 10 0 CCAERO CCNC(=O)C1CCN(C(=O)[C@@H]([NH3+])[C@H](C)CC)CC1 ZINC000037819021 173770580 /nfs/dbraw/zinc/77/05/80/173770580.db2.gz BQLIZSBHBHAHEM-PWSUYJOCSA-N 1 0 269.389 0.735 10 0 CCAERO COCCOCCOCCC[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000660758963 414474048 /nfs/dbraw/zinc/47/40/48/414474048.db2.gz XNCLRLJIMXEYES-KBPBESRZSA-N 1 0 275.389 0.759 10 0 CCAERO CCOC(=O)[C@H]([C@H]1CCOC1)N1CCC[NH2+]CC1 ZINC000037959631 173904251 /nfs/dbraw/zinc/90/42/51/173904251.db2.gz YNVHBRPSEBLIEV-RYUDHWBXSA-N 1 0 256.346 0.250 10 0 CCAERO CN(CC(=O)N1CC[NH2+]CC1)C[C@H]1COC2(CCCC2)O1 ZINC000038031473 174026269 /nfs/dbraw/zinc/02/62/69/174026269.db2.gz PJTHSCBZIQYYIP-ZDUSSCGKSA-N 1 0 297.399 0.036 10 0 CCAERO C[C@H](C(=O)NC(N)=O)N(CC[NH3+])Cc1ccccc1 ZINC000038033177 174030821 /nfs/dbraw/zinc/03/08/21/174030821.db2.gz IYMDCKCHVVKKNI-SNVBAGLBSA-N 1 0 264.329 0.031 10 0 CCAERO NS(=O)(=O)c1cccc(NC2CC[NH2+]CC2)c1 ZINC000038040559 174041056 /nfs/dbraw/zinc/04/10/56/174041056.db2.gz HXKBZCISIOKCKD-UHFFFAOYSA-N 1 0 255.343 0.498 10 0 CCAERO C[NH+](C)CCN1CCC([N@@H+]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000038042646 174046444 /nfs/dbraw/zinc/04/64/44/174046444.db2.gz DXNDRHKIJXWIAN-CYBMUJFWSA-N 1 0 269.389 0.561 10 0 CCAERO COCCCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000038045819 174054021 /nfs/dbraw/zinc/05/40/21/174054021.db2.gz KPZNCLXYGHFXET-VXGBXAGGSA-N 1 0 258.362 0.544 10 0 CCAERO CC(C)CCNC(=O)[C@H](C)[NH2+]CCCS(C)(=O)=O ZINC000038048134 174058958 /nfs/dbraw/zinc/05/89/58/174058958.db2.gz TXMYCMPYGWPRCM-NSHDSACASA-N 1 0 278.418 0.562 10 0 CCAERO Cc1n[nH]cc1S(=O)(=O)N[C@H]1CCCC[C@H]1[NH3+] ZINC000038050223 174061377 /nfs/dbraw/zinc/06/13/77/174061377.db2.gz AUKRFQWQWKVVPH-BDAKNGLRSA-N 1 0 258.347 0.266 10 0 CCAERO C[C@@H]([NH2+]C[C@H]1COCCO1)C(=O)N1CCCCC1 ZINC000038061859 174073147 /nfs/dbraw/zinc/07/31/47/174073147.db2.gz LASRQHJLOYVRPI-NEPJUHHUSA-N 1 0 256.346 0.392 10 0 CCAERO C[NH2+]Cc1ccc(OC)c(O[C@H]2CCS(=O)(=O)C2)c1 ZINC000038084531 174094256 /nfs/dbraw/zinc/09/42/56/174094256.db2.gz HTHBWFZXPDFMKW-NSHDSACASA-N 1 0 285.365 0.981 10 0 CCAERO [NH3+]CCc1cccc(O[C@H]2CCS(=O)(=O)C2)c1 ZINC000038085530 174096362 /nfs/dbraw/zinc/09/63/62/174096362.db2.gz WRGNMIQLVUOSPX-LBPRGKRZSA-N 1 0 255.339 0.754 10 0 CCAERO C[C@@H]([NH2+]C1CCC(C(N)=O)CC1)C(=O)NC1CC1 ZINC000038091924 174105686 /nfs/dbraw/zinc/10/56/86/174105686.db2.gz XESUZTYAYAYDDM-XNWIYYODSA-N 1 0 253.346 0.287 10 0 CCAERO C[C@H](Cc1ccco1)[NH2+]C[C@H](O)CN1CCOCC1 ZINC000038092502 174106326 /nfs/dbraw/zinc/10/63/26/174106326.db2.gz BIGNAYADVDAILP-OLZOCXBDSA-N 1 0 268.357 0.493 10 0 CCAERO Cc1ncc(N)cc1C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000038094866 174108347 /nfs/dbraw/zinc/10/83/47/174108347.db2.gz CTRXCYQMGMHPQS-CYBMUJFWSA-N 1 0 260.341 0.796 10 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/nfs/dbraw/zinc/83/60/63/414836063.db2.gz IDNCGECNMXQICO-CHWSQXEVSA-N 1 0 279.384 0.361 10 0 CCAERO O=S(=O)(C1CC[NH2+]CC1)N(CCO)C1CCCCC1 ZINC000042526722 174776985 /nfs/dbraw/zinc/77/69/85/174776985.db2.gz UOQWVYUNPHJORQ-UHFFFAOYSA-N 1 0 290.429 0.695 10 0 CCAERO C[C@]1(C(F)F)CN(C(=O)C2([NH3+])CCOCC2)CCO1 ZINC000663009172 414947890 /nfs/dbraw/zinc/94/78/90/414947890.db2.gz PPLYRZVJAFUQKJ-LLVKDONJSA-N 1 0 278.299 0.377 10 0 CCAERO CNC(=O)[C@H](C)NC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000042573005 174800794 /nfs/dbraw/zinc/80/07/94/174800794.db2.gz VZWZQYUXJVMKAI-XWLWVQCSSA-N 1 0 253.346 0.158 10 0 CCAERO O=S(=O)(C[C@H]1CCC[NH2+]1)NC[C@@H]1CCCCO1 ZINC000042825925 174888350 /nfs/dbraw/zinc/88/83/50/174888350.db2.gz MJOOSQJTQWSFII-MNOVXSKESA-N 1 0 262.375 0.227 10 0 CCAERO O=C([C@H]1[NH2+]CCc2ccccc21)N1CCS(=O)CC1 ZINC000043512783 175061098 /nfs/dbraw/zinc/06/10/98/175061098.db2.gz JXBZQCHDARFPTP-ZDUSSCGKSA-N 1 0 278.377 0.464 10 0 CCAERO CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1cc[nH+]c(C)c1 ZINC000664268595 415320993 /nfs/dbraw/zinc/32/09/93/415320993.db2.gz KFBCHEFMSGUUNP-WDEREUQCSA-N 1 0 256.327 0.036 10 0 CCAERO CCS(=O)(=O)CCN(C)c1ccc(C(N)=[NH2+])cc1 ZINC000061951707 175658797 /nfs/dbraw/zinc/65/87/97/175658797.db2.gz HWLAACKVOMFNSE-UHFFFAOYSA-N 1 0 269.370 0.842 10 0 CCAERO C[C@H]([NH3+])CC(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000261901707 298951092 /nfs/dbraw/zinc/95/10/92/298951092.db2.gz ZCZFVLCYMYLGIJ-GMXVVIOVSA-N 1 0 279.384 0.726 10 0 CCAERO COCCN(CCC[NH3+])[C@H](C)C(=O)NCC(C)C ZINC000071224753 176088801 /nfs/dbraw/zinc/08/88/01/176088801.db2.gz YXUFTCTUNFPWQU-GFCCVEGCSA-N 1 0 259.394 0.444 10 0 CCAERO Cc1ccc(CN(C)C(=O)CN(C)[C@@H]2CC[NH2+]C2)o1 ZINC000071311254 176118313 /nfs/dbraw/zinc/11/83/13/176118313.db2.gz RAEAXLHYCLOWNO-GFCCVEGCSA-N 1 0 265.357 0.840 10 0 CCAERO CCn1c(C[NH3+])nnc1S[C@@H](C)C(=O)N1CCCC1 ZINC000071374703 176139786 /nfs/dbraw/zinc/13/97/86/176139786.db2.gz ULGNBLZDGNODPP-VIFPVBQESA-N 1 0 283.401 0.860 10 0 CCAERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCn1ccc(N)n1 ZINC000071378105 176142669 /nfs/dbraw/zinc/14/26/69/176142669.db2.gz DJVQGSVEJWRBEX-UWVGGRQHSA-N 1 0 251.334 0.051 10 0 CCAERO COc1ccc(OC[C@@H](CO)N2CC[NH2+]CC2)cc1 ZINC000071598525 176222641 /nfs/dbraw/zinc/22/26/41/176222641.db2.gz VHNYFSZJPGFHSH-GFCCVEGCSA-N 1 0 266.341 0.340 10 0 CCAERO COC(=O)c1ccc(Cl)c(N(C)C[C@H](O)C[NH3+])c1 ZINC000076416150 177021928 /nfs/dbraw/zinc/02/19/28/177021928.db2.gz BBLPSRGNMUSLFM-SECBINFHSA-N 1 0 272.732 0.882 10 0 CCAERO [NH3+]CC[C@H](C(=O)NC[C@H]1CCCO1)c1ccncc1 ZINC000076678189 177056885 /nfs/dbraw/zinc/05/68/85/177056885.db2.gz NQVDNGMVTBXCTH-OLZOCXBDSA-N 1 0 263.341 0.809 10 0 CCAERO [NH3+]CC[C@H](C(=O)NC[C@H]1CCCO1)c1cccnc1 ZINC000076678168 177056889 /nfs/dbraw/zinc/05/68/89/177056889.db2.gz OAAAYJVTEKQGJK-OLZOCXBDSA-N 1 0 263.341 0.809 10 0 CCAERO [NH3+]C[C@H](CC(=O)NC[C@H]1CCCO1)c1ccccn1 ZINC000076678197 177057135 /nfs/dbraw/zinc/05/71/35/177057135.db2.gz HAQVEVKZUYFHRM-NWDGAFQWSA-N 1 0 263.341 0.809 10 0 CCAERO CS(=O)(=O)c1cnn(CC[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000725252018 545877550 /nfs/dbraw/zinc/87/75/50/545877550.db2.gz JNXIUXWFQITGPS-GXSJLCMTSA-N 1 0 257.359 0.804 10 0 CCAERO CS(=O)(=O)c1cnn(C[C@@H](C(N)=[NH2+])C(F)(F)F)c1 ZINC000725252685 545879029 /nfs/dbraw/zinc/87/90/29/545879029.db2.gz VGXPIOXZQGOARM-LURJTMIESA-N 1 0 284.263 0.401 10 0 CCAERO FC(F)(F)CNCCNc1ccnn1C1C[NH2+]C1 ZINC000725258297 545882017 /nfs/dbraw/zinc/88/20/17/545882017.db2.gz NONLNUWATMCSIZ-UHFFFAOYSA-N 1 0 263.267 0.591 10 0 CCAERO CO[C@H]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000725268940 545886101 /nfs/dbraw/zinc/88/61/01/545886101.db2.gz HICHWKWHEGYJLG-MNOVXSKESA-N 1 0 279.344 0.064 10 0 CCAERO O=S(=O)(C[C@@H](O)C[NH2+]C1CCC1)c1ccccc1 ZINC000725270917 545888688 /nfs/dbraw/zinc/88/86/88/545888688.db2.gz VKVGGUAIASRVCL-LBPRGKRZSA-N 1 0 269.366 0.963 10 0 CCAERO Cc1ccccc1CC(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000367185763 227196567 /nfs/dbraw/zinc/19/65/67/227196567.db2.gz LAONCHCRHHONDO-KGLIPLIRSA-N 1 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/nfs/dbraw/zinc/51/30/83/544513083.db2.gz GKPBRHMJAZVXPT-POSLAHMBSA-N 1 0 267.373 0.522 10 0 CCAERO C[C@H](Cn1ccnc1)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089451287 544513171 /nfs/dbraw/zinc/51/31/71/544513171.db2.gz KXOHROAZXTUQMW-UTUOFQBUSA-N 1 0 250.346 0.763 10 0 CCAERO NC(=O)COc1cccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089453078 544513223 /nfs/dbraw/zinc/51/32/23/544513223.db2.gz JAEVXRQBRNZTTM-MFKMUULPSA-N 1 0 291.351 0.864 10 0 CCAERO CN(C)C(=O)N1CCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089457380 544514184 /nfs/dbraw/zinc/51/41/84/544514184.db2.gz CWVTZHLZNLUUFF-NEPJUHHUSA-N 1 0 282.388 0.187 10 0 CCAERO CCC(=O)N1CCCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089458384 544515013 /nfs/dbraw/zinc/51/50/13/544515013.db2.gz JKWZWKDXBMQMOW-CHWSQXEVSA-N 1 0 281.400 0.832 10 0 CCAERO CN(Cc1nnc2n1CCC2)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089457322 544515016 /nfs/dbraw/zinc/51/50/16/544515016.db2.gz GDSJCINHFMCDGM-QWRGUYRKSA-N 1 0 277.372 0.558 10 0 CCAERO NC(=O)c1cccc(CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089459774 544515057 /nfs/dbraw/zinc/51/50/57/544515057.db2.gz GRVIHRLUFDLJCK-OLZOCXBDSA-N 1 0 275.352 0.777 10 0 CCAERO CNC(=O)NCC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000090019893 544518323 /nfs/dbraw/zinc/51/83/23/544518323.db2.gz XGESTHIECFYKCM-LBPRGKRZSA-N 1 0 278.356 0.335 10 0 CCAERO O=C(C[C@@H]1CCC[NH2+]C1)NCCCn1cccn1 ZINC000126981892 544603246 /nfs/dbraw/zinc/60/32/46/544603246.db2.gz JVKKOXQAYQYBRO-LBPRGKRZSA-N 1 0 250.346 0.779 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCCC(=O)N1CCCCC1 ZINC000135362691 544634971 /nfs/dbraw/zinc/63/49/71/544634971.db2.gz KPKXQNSWZZOZKO-QWHCGFSZSA-N 1 0 281.400 0.880 10 0 CCAERO CCN1CCO[C@@H](C[NH2+]Cc2cc(C(N)=O)cs2)C1 ZINC000133950898 544628242 /nfs/dbraw/zinc/62/82/42/544628242.db2.gz GCAHOOUYHKAREE-NSHDSACASA-N 1 0 283.397 0.657 10 0 CCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@]2(O)CCSC2)C1 ZINC000157888581 544686150 /nfs/dbraw/zinc/68/61/50/544686150.db2.gz DNNJYLGDOCFURZ-MDZLAQPJSA-N 1 0 272.414 0.699 10 0 CCAERO C[C@H](CNC(=O)C(C)(C)N1CC[NH2+]CC1)C1CC1 ZINC000156894048 544680590 /nfs/dbraw/zinc/68/05/90/544680590.db2.gz UKMMVRWFHXKZHP-LLVKDONJSA-N 1 0 253.390 0.833 10 0 CCAERO Cn1cnnc1CCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000136208029 544636998 /nfs/dbraw/zinc/63/69/98/544636998.db2.gz BRDWFDPBAVJTGE-GFCCVEGCSA-N 1 0 251.334 0.006 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCN(C)C(=O)C1(C)C ZINC000136489929 544638939 /nfs/dbraw/zinc/63/89/39/544638939.db2.gz FFTPMUAZNNJMQM-JTQLQIEISA-N 1 0 255.362 0.439 10 0 CCAERO [NH3+]CC1(C(=O)N[C@H]2CCC[C@@H](O)C2)CCOCC1 ZINC000138160918 544642513 /nfs/dbraw/zinc/64/25/13/544642513.db2.gz JBYMNJYTFIXEDG-WDEREUQCSA-N 1 0 256.346 0.162 10 0 CCAERO COC[C@@H]([NH3+])C(=O)N(C)CC(=O)N(C)C1CCCCC1 ZINC000159351798 544692167 /nfs/dbraw/zinc/69/21/67/544692167.db2.gz PTVIGFYFGRWTTH-GFCCVEGCSA-N 1 0 285.388 0.210 10 0 CCAERO CCOc1cnc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000189147238 544789053 /nfs/dbraw/zinc/78/90/53/544789053.db2.gz BLYKAMJRLNUUOF-LLVKDONJSA-N 1 0 276.340 0.796 10 0 CCAERO COC[C@H](C)OC[C@H](O)CN1CC[C@@H]([NH+](C)C)C1 ZINC000234822882 544870620 /nfs/dbraw/zinc/87/06/20/544870620.db2.gz DBMDUQCCGVMIMX-YNEHKIRRSA-N 1 0 260.378 0.035 10 0 CCAERO CS(=O)(=O)c1ccc(NC[C@H]2COCC[NH2+]2)cc1 ZINC000235033697 544874279 /nfs/dbraw/zinc/87/42/79/544874279.db2.gz ARZCLASWAWNDRF-NSHDSACASA-N 1 0 270.354 0.490 10 0 CCAERO C[C@@]1(C(N)=O)CCN(C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000235410300 544874970 /nfs/dbraw/zinc/87/49/70/544874970.db2.gz KNHSOEJKKLZCJH-GXFFZTMASA-N 1 0 253.346 0.100 10 0 CCAERO C[C@H]([NH2+][C@@H]1CCC[C@H]1O)c1ccc(S(N)(=O)=O)cc1 ZINC000249114276 544917071 /nfs/dbraw/zinc/91/70/71/544917071.db2.gz PSVGFLMKLHAUMZ-ZWKOPEQDSA-N 1 0 284.381 0.898 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000250649141 544924233 /nfs/dbraw/zinc/92/42/33/544924233.db2.gz LLAYTGHALZUDFS-CYDGBPFRSA-N 1 0 279.384 0.489 10 0 CCAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1cnn(C)c1N ZINC000252691009 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HTVAZPSCXSYZBO-SGMGOOAPSA-N 1 0 252.358 0.750 10 0 CCAERO O[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H](N3CCOCC3)C2)C1 ZINC000388927538 545086520 /nfs/dbraw/zinc/08/65/20/545086520.db2.gz LEZZZIRFPQXNGL-SOUVJXGZSA-N 1 0 268.401 0.944 10 0 CCAERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)N(C)C1CC1 ZINC000103283592 300035537 /nfs/dbraw/zinc/03/55/37/300035537.db2.gz CPCYTHLPTFXURT-VHSXEESVSA-N 1 0 253.346 0.193 10 0 CCAERO C[C@H]1C[N@H+](CCN2CCO[C@H](C)C2)C[C@@H]1N1CCOCC1 ZINC000192754684 300260888 /nfs/dbraw/zinc/26/08/88/300260888.db2.gz OILOJVXSNLHWEK-XHSDSOJGSA-N 1 0 297.443 0.360 10 0 CCAERO C[NH+](C)[C@@H]1CCN(C(=O)CNC(=O)Cc2ccccc2)C1 ZINC000170861696 327666832 /nfs/dbraw/zinc/66/68/32/327666832.db2.gz JLTMENUFABZYNC-CQSZACIVSA-N 1 0 289.379 0.508 10 0 CCAERO CC(C)S(=O)(=O)CCCN1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000573331409 327136381 /nfs/dbraw/zinc/13/63/81/327136381.db2.gz ZAPLEYKQETYCKP-QWHCGFSZSA-N 1 0 290.429 0.262 10 0 CCAERO CCC[C@@H]([NH3+])C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000036872819 329521178 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520187389 /nfs/dbraw/zinc/18/73/89/520187389.db2.gz OPJYFYCSFZGJPL-LLVKDONJSA-N 1 0 265.357 0.985 10 0 CCAERO C[NH2+][C@@H](CCN(CC[NH+](C)C)CC(C)C)C(=O)[O-] ZINC000062456285 522342815 /nfs/dbraw/zinc/34/28/15/522342815.db2.gz MOUDCTDZHUTUEY-LBPRGKRZSA-N 1 0 259.394 0.569 10 0 CCAERO COc1ccccc1OCC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000423940124 534193055 /nfs/dbraw/zinc/19/30/55/534193055.db2.gz BPWFLCFUAFNSKY-MNOVXSKESA-N 1 0 264.325 0.880 10 0 CCAERO CC(C)N(C)C(=O)C[NH2+][C@@H](C)CN1CCOCC1 ZINC000049505465 519590934 /nfs/dbraw/zinc/59/09/34/519590934.db2.gz YFPIRNMTSPJNGQ-LBPRGKRZSA-N 1 0 257.378 0.164 10 0 CCAERO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@@H](CO)c1ccccc1 ZINC000182903984 519711868 /nfs/dbraw/zinc/71/18/68/519711868.db2.gz AYPGYVWVVHYYMM-AAEUAGOBSA-N 1 0 293.367 0.932 10 0 CCAERO CC(C)[NH2+]CCNS(=O)(=O)CCc1ccncc1 ZINC000054266751 519721866 /nfs/dbraw/zinc/72/18/66/519721866.db2.gz CPBTWBKJVGKJLN-UHFFFAOYSA-N 1 0 271.386 0.542 10 0 CCAERO CCC[NH+]1CCC(n2c(N)cc(=O)[nH]c2=O)CC1 ZINC000049557983 519848028 /nfs/dbraw/zinc/84/80/28/519848028.db2.gz YURNYBXMPIFASM-UHFFFAOYSA-N 1 0 252.318 0.166 10 0 CCAERO CCC[NH2+][C@H](CCN1CCO[C@H](CC)C1)C(N)=O ZINC000062448666 520077632 /nfs/dbraw/zinc/07/76/32/520077632.db2.gz OUHPMMPYCVNWOE-VXGBXAGGSA-N 1 0 257.378 0.341 10 0 CCAERO CCCCNC(=O)C[NH2+][C@H](C)CN1CCOCC1 ZINC000049504415 520623070 /nfs/dbraw/zinc/62/30/70/520623070.db2.gz KJIOZHWEONRUKR-GFCCVEGCSA-N 1 0 257.378 0.213 10 0 CCAERO CCC[C@H]([NH3+])C(=O)N1CCN([C@H](CC)CO)CC1 ZINC000182823438 521109071 /nfs/dbraw/zinc/10/90/71/521109071.db2.gz HUAAZKVNSGXOHZ-NEPJUHHUSA-N 1 0 257.378 0.029 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(NC)nn2)C1 ZINC000050777702 521648861 /nfs/dbraw/zinc/64/88/61/521648861.db2.gz RTLGSCGBUZXKJR-JTQLQIEISA-N 1 0 263.345 0.732 10 0 CCAERO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cccc(NN)n1 ZINC000061656126 521834121 /nfs/dbraw/zinc/83/41/21/521834121.db2.gz AJULZCNZFUOTBB-JTQLQIEISA-N 1 0 263.345 0.533 10 0 CCAERO CNS(=O)(=O)c1cccc(NC(=O)C(C)(C)[NH2+]C)c1 ZINC000061300811 521945932 /nfs/dbraw/zinc/94/59/32/521945932.db2.gz BBPOVQSYFOWIAD-UHFFFAOYSA-N 1 0 285.369 0.531 10 0 CCAERO C[NH2+]CCS(=O)(=O)Nc1ccc(OC)c(OC)c1 ZINC000049629941 522016709 /nfs/dbraw/zinc/01/67/09/522016709.db2.gz PGCMFCXVCJJPNB-UHFFFAOYSA-N 1 0 274.342 0.665 10 0 CCAERO CCc1nc(CN2CCC[N@@H+]([C@@H](C)CO)CC2)no1 ZINC000364894136 522301278 /nfs/dbraw/zinc/30/12/78/522301278.db2.gz JMBPDXPGPIYTLO-NSHDSACASA-N 1 0 268.361 0.521 10 0 CCAERO CN(C)c1nc(Cl)nc(N2CCC[N@H+](C)CC2)n1 ZINC000061535835 522323225 /nfs/dbraw/zinc/32/32/25/522323225.db2.gz JJPGOHNNFQFLQQ-UHFFFAOYSA-N 1 0 270.768 0.733 10 0 CCAERO C[NH2+][C@@H](c1ccc2[nH]c(=O)oc2c1)[C@H]1COCCO1 ZINC000055299658 522370470 /nfs/dbraw/zinc/37/04/70/522370470.db2.gz NEHDBZXJIGKTCI-NEPJUHHUSA-N 1 0 264.281 0.797 10 0 CCAERO C[NH2+][C@H]1CCCN(c2nc(Cl)nc(OC)n2)C1 ZINC000061514768 522499398 /nfs/dbraw/zinc/49/93/98/522499398.db2.gz UHLYEIKGAYRSMR-ZETCQYMHSA-N 1 0 257.725 0.722 10 0 CCAERO CN(CC[NH2+]C[C@@H]1CCOC1)Cc1nccn1C ZINC000062327603 522868389 /nfs/dbraw/zinc/86/83/89/522868389.db2.gz VXWMJAFAEHBZFX-LBPRGKRZSA-N 1 0 252.362 0.478 10 0 CCAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)CNCC(F)(F)F ZINC000078596578 523135637 /nfs/dbraw/zinc/13/56/37/523135637.db2.gz RSMAHGLLCAKCOQ-VIFPVBQESA-N 1 0 267.295 0.548 10 0 CCAERO COCCCN(C)S(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000062035712 523227905 /nfs/dbraw/zinc/22/79/05/523227905.db2.gz JRXKKBOHAHWZOO-LBPRGKRZSA-N 1 0 278.418 0.817 10 0 CCAERO CC[C@]1(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)CCC[NH2+]C1 ZINC000062854438 523534884 /nfs/dbraw/zinc/53/48/84/523534884.db2.gz TVFNUJKPQBDAJU-AAEUAGOBSA-N 1 0 288.413 0.412 10 0 CCAERO COCC[N@H+](CC1(CO)CCOCC1)[C@@H](C)COC ZINC000052199831 523688244 /nfs/dbraw/zinc/68/82/44/523688244.db2.gz BMXMFOAXMSKMPR-ZDUSSCGKSA-N 1 0 275.389 0.759 10 0 CCAERO CO[C@H](C(=O)N(C)[C@@H]1C[NH2+]C[C@H]1O)c1ccccc1 ZINC000050438032 523818162 /nfs/dbraw/zinc/81/81/62/523818162.db2.gz YZCABNLAURLINT-UPJWGTAASA-N 1 0 264.325 0.165 10 0 CCAERO CO[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1OC)c1ccccc1 ZINC000050438007 523831653 /nfs/dbraw/zinc/83/16/53/523831653.db2.gz JSPDXRCXMZCRSV-AGIUHOORSA-N 1 0 264.325 0.477 10 0 CCAERO CN1CCC[C@H](NS(=O)(=O)C[C@@H]2CCCC[NH2+]2)C1 ZINC000049631240 523844360 /nfs/dbraw/zinc/84/43/60/523844360.db2.gz SQDCRCQTNOBBMP-RYUDHWBXSA-N 1 0 275.418 0.142 10 0 CCAERO COCCNC(=O)[C@@H](C)[NH2+][C@H](CN(C)C)C(C)C ZINC000049216402 523908432 /nfs/dbraw/zinc/90/84/32/523908432.db2.gz SPKMVNBKEBMPEH-VXGBXAGGSA-N 1 0 259.394 0.313 10 0 CCAERO CN(C(=O)c1ccc2c(c1)CCO2)[C@@H]1C[NH2+]C[C@H]1O ZINC000050892416 523938929 /nfs/dbraw/zinc/93/89/29/523938929.db2.gz YLBXVJRLBIQYRO-VXGBXAGGSA-N 1 0 262.309 0.026 10 0 CCAERO COCC[NH2+]C[C@@H]1CCCN1Cc1ncccn1 ZINC000054460349 523941314 /nfs/dbraw/zinc/94/13/14/523941314.db2.gz NPLNUMDNCBSCKI-LBPRGKRZSA-N 1 0 250.346 0.677 10 0 CCAERO COCC[NH2+]Cc1c(C)nn(C)c1N1CC[C@@H](O)C1 ZINC000062738255 523947422 /nfs/dbraw/zinc/94/74/22/523947422.db2.gz VTLJKHRBJGRYKB-LLVKDONJSA-N 1 0 268.361 0.036 10 0 CCAERO C[N@@H+]1CC[C@H](NC(=O)c2cc(Br)cnc2N)C1 ZINC000050709124 523987148 /nfs/dbraw/zinc/98/71/48/523987148.db2.gz OORXSPFYLMTTAF-QMMMGPOBSA-N 1 0 299.172 0.860 10 0 CCAERO CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000184737430 524015613 /nfs/dbraw/zinc/01/56/13/524015613.db2.gz WNHJEIKTLNHXOT-MCIONIFRSA-N 1 0 278.352 0.243 10 0 CCAERO C[C@H]1CCC[C@@H](N(C)[C@@H]2CS(=O)(=O)C[C@@H]2[NH3+])C1 ZINC000054493234 524144866 /nfs/dbraw/zinc/14/48/66/524144866.db2.gz DIOBHOWTAIUHAR-WHOHXGKFSA-N 1 0 260.403 0.621 10 0 CCAERO C[C@H](C[N@@H+]1CCCC[C@H](CO)C1)CS(C)(=O)=O ZINC000365947666 524337594 /nfs/dbraw/zinc/33/75/94/524337594.db2.gz RLZMYYIYYFTTEE-NEPJUHHUSA-N 1 0 263.403 0.762 10 0 CCAERO C[C@@H](CC[NH+](C)C)N[C@@H]1CC(=O)N(C2CC2)C1=O ZINC000049554926 524479360 /nfs/dbraw/zinc/47/93/60/524479360.db2.gz BUXIMGVRQAALFA-GXSJLCMTSA-N 1 0 253.346 0.206 10 0 CCAERO COC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC000616568921 545103100 /nfs/dbraw/zinc/10/31/00/545103100.db2.gz FAKITTFXLXYRGL-RYUDHWBXSA-N 1 0 262.309 0.421 10 0 CCAERO C[C@@H](CN1CCCC1)[NH2+]C[C@H](O)Cn1cccn1 ZINC000049163980 524592003 /nfs/dbraw/zinc/59/20/03/524592003.db2.gz FHBDVEBCTALDCQ-STQMWFEESA-N 1 0 252.362 0.318 10 0 CCAERO C[C@@H](CN1CCOCC1)[NH2+]CCCn1ccnc1 ZINC000049504516 524627832 /nfs/dbraw/zinc/62/78/32/524627832.db2.gz YSYATUKNIPFBKY-ZDUSSCGKSA-N 1 0 252.362 0.584 10 0 CCAERO Cc1cc(NS(=O)(=O)C[C@H]2CCCC[NH2+]2)n(C)n1 ZINC000049630805 525285159 /nfs/dbraw/zinc/28/51/59/525285159.db2.gz ZGMPEPNPYQULMQ-SNVBAGLBSA-N 1 0 272.374 0.612 10 0 CCAERO Cc1ccc(C(=O)NCCNC(=O)[C@@H](C)C2C[NH2+]C2)cc1 ZINC000164305933 526166016 /nfs/dbraw/zinc/16/60/16/526166016.db2.gz BKMKAVANSNSUJN-LBPRGKRZSA-N 1 0 289.379 0.697 10 0 CCAERO c1cnc(-c2noc(CN3CCC[NH2+]CC3)n2)nc1 ZINC000061145680 526540095 /nfs/dbraw/zinc/54/00/95/526540095.db2.gz PRWIRBLGTNOEOJ-UHFFFAOYSA-N 1 0 260.301 0.322 10 0 CCAERO Cc1nc(CN(C)[C@@H]2CS(=O)(=O)C[C@@H]2[NH3+])cs1 ZINC000054493705 526844584 /nfs/dbraw/zinc/84/45/84/526844584.db2.gz AKEDVKQAYSVFRG-VHSXEESVSA-N 1 0 275.399 0.008 10 0 CCAERO Cc1nc(N2CCOCC2)nc(C)c1[C@@H](C)C[NH3+] ZINC000054837225 526970831 /nfs/dbraw/zinc/97/08/31/526970831.db2.gz LTXXUGMCOQYZBQ-VIFPVBQESA-N 1 0 250.346 0.992 10 0 CCAERO O=C(C[C@@H]1CCC[NH2+]1)N[C@H](CO)Cc1ccccc1 ZINC000063220859 527117807 /nfs/dbraw/zinc/11/78/07/527117807.db2.gz CUUYXVXQWNXIBM-KBPBESRZSA-N 1 0 262.353 0.848 10 0 CCAERO [NH3+]CC[C@@H]1CCC[C@@H](C(=O)N[C@@H]2CCCNC2=O)C1 ZINC000055160816 527193505 /nfs/dbraw/zinc/19/35/05/527193505.db2.gz ONBRVVYNTCGXGI-QJPTWQEYSA-N 1 0 267.373 0.536 10 0 CCAERO [NH3+]CC[C@H]1CN(CCOCCO)c2ccccc21 ZINC000063129150 527195192 /nfs/dbraw/zinc/19/51/92/527195192.db2.gz XNXRPLDGZBPZLZ-LBPRGKRZSA-N 1 0 250.342 0.948 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@@H](C(=O)NCCN2CCOCC2)C1 ZINC000055145796 527213866 /nfs/dbraw/zinc/21/38/66/527213866.db2.gz RICWUZLFEHYQOM-CHWSQXEVSA-N 1 0 269.389 0.200 10 0 CCAERO [NH3+][C@@H](Cn1ncccc1=O)c1ccc2c(c1)OCO2 ZINC000061402797 527337148 /nfs/dbraw/zinc/33/71/48/527337148.db2.gz GTQRXYSGWKXBFS-JTQLQIEISA-N 1 0 259.265 0.672 10 0 CCAERO OCCN1CCC([NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667842947 545157517 /nfs/dbraw/zinc/15/75/17/545157517.db2.gz UKCGFZRTQUGDMZ-ZIAGYGMSSA-N 1 0 254.374 0.600 10 0 CCAERO O=S1(=O)CCC[C@@H]1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667910628 545158441 /nfs/dbraw/zinc/15/84/41/545158441.db2.gz VDGNSLZMOZYWFB-QJPTWQEYSA-N 1 0 259.371 0.721 10 0 CCAERO Nc1cc(C[N@@H+]2CC[C@@H](O)C2)c2c(c1)COCO2 ZINC000061709558 527450475 /nfs/dbraw/zinc/45/04/75/527450475.db2.gz UHBGLDNNJNXFDA-GFCCVEGCSA-N 1 0 250.298 0.702 10 0 CCAERO OC[C@H]1C[C@H](O)C[N@@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000184011003 527622533 /nfs/dbraw/zinc/62/25/33/527622533.db2.gz MZMXFZDICCKAOM-CABCVRRESA-N 1 0 273.336 0.800 10 0 CCAERO CCCS(=O)(=O)N[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000669371891 545206201 /nfs/dbraw/zinc/20/62/01/545206201.db2.gz DQTMAQPLMONMHV-RNFRBKRXSA-N 1 0 260.281 0.466 10 0 CCAERO CN1C[C@H]([C@H]2CC[NH2+]C[C@H]2NC(=O)OC(C)(C)C)CN1 ZINC000669384892 545206262 /nfs/dbraw/zinc/20/62/62/545206262.db2.gz LUAVAJTWANYMQV-IJLUTSLNSA-N 1 0 284.404 0.555 10 0 CCAERO CC(C)c1nccnc1NC[C@@H]1C[N@H+](C)CCN1C ZINC000413134731 528361335 /nfs/dbraw/zinc/36/13/35/528361335.db2.gz CYNBFMICYIUPLJ-GFCCVEGCSA-N 1 0 263.389 0.680 10 0 CCAERO [NH3+]C[C@](O)(C1CCS(=O)(=O)CC1)C(F)(F)F ZINC000675054933 545320418 /nfs/dbraw/zinc/32/04/18/545320418.db2.gz XHSNFXBKWPMLNM-ZETCQYMHSA-N 1 0 261.265 0.063 10 0 CCAERO O=C(NC[C@@]12C[NH2+]C[C@@H]1S(=O)(=O)CCC2)C1CCC1 ZINC000675073353 545320988 /nfs/dbraw/zinc/32/09/88/545320988.db2.gz NNAPIIMYTMNQPM-WCQYABFASA-N 1 0 286.397 0.070 10 0 CCAERO CCCC(=O)NC[C@@]12C[NH2+]C[C@@H]1S(=O)(=O)CCC2 ZINC000675073626 545321028 /nfs/dbraw/zinc/32/10/28/545321028.db2.gz RARZMDRTMOSKNV-CMPLNLGQSA-N 1 0 274.386 0.070 10 0 CCAERO Cn1ncc(Br)c1CC1=C[C@@H](O)C[NH2+]C1 ZINC000675077862 545321296 /nfs/dbraw/zinc/32/12/96/545321296.db2.gz SMPMGACNXCTLHH-MRVPVSSYSA-N 1 0 272.146 0.616 10 0 CCAERO CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)C[C@H](C)[NH3+])C1 ZINC000261808639 535281615 /nfs/dbraw/zinc/28/16/15/535281615.db2.gz LQVKXEQCZFYOAS-QJPTWQEYSA-N 1 0 269.389 0.923 10 0 CCAERO CC(C)CC(=O)NCCc1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263293548 535379371 /nfs/dbraw/zinc/37/93/71/535379371.db2.gz VZRFPDNLMUSVEX-NSHDSACASA-N 1 0 295.387 0.351 10 0 CCAERO CCC[C@@](C)(NC(=O)[C@@H](C)C1C[NH2+]C1)C(=O)OC ZINC000262014318 535529885 /nfs/dbraw/zinc/52/98/85/535529885.db2.gz CHJXJVFIZGNWOE-TVQRCGJNSA-N 1 0 256.346 0.690 10 0 CCAERO CC[C@]1(C(=O)Nc2ccc(S(C)(=O)=O)nc2)CC[NH2+]C1 ZINC000062891858 535883071 /nfs/dbraw/zinc/88/30/71/535883071.db2.gz IKVDOYMDTSYGHD-ZDUSSCGKSA-N 1 0 297.380 0.813 10 0 CCAERO COC[C@H]([NH3+])C(=O)NC[C@@H](O)c1ccc(OC(C)C)cc1 ZINC000262254358 536863825 /nfs/dbraw/zinc/86/38/25/536863825.db2.gz IWNVDVVNVNRQEJ-UONOGXRCSA-N 1 0 296.367 0.597 10 0 CCAERO COc1ccccc1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262328999 536998188 /nfs/dbraw/zinc/99/81/88/536998188.db2.gz SCBOGXBQFAMMHN-ONGXEEELSA-N 1 0 250.298 0.005 10 0 CCAERO COc1cc2c(cc1O)[C@H]1[C@H]3C(=C[C@H](O)[C@H]1O)CC[N@@H+]3C2 ZINC000004102397 560196843 /nfs/dbraw/zinc/19/68/43/560196843.db2.gz CKAHWDNDUGDSLE-ARLBYUKCSA-N 1 0 289.331 0.734 10 0 biogenic,in-vitro CCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CC(=O)N(C)C1 ZINC000253549085 581588829 /nfs/dbraw/zinc/58/88/29/581588829.db2.gz OBOJRLSNHBTNLZ-YNEHKIRRSA-N 1 0 279.384 0.550 10 0 CCAERO CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000895764117 613982622 /nfs/dbraw/zinc/98/26/22/613982622.db2.gz FMARLCVBOJIWRI-CHWSQXEVSA-N 1 0 281.400 0.986 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1noc(C)n1 ZINC000124155862 615131100 /nfs/dbraw/zinc/13/11/00/615131100.db2.gz RECYMHOBDWWMRT-SNVBAGLBSA-N 1 0 252.318 0.934 10 0 CCAERO CCn1[nH]c(C)nc1=NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000888527774 615903490 /nfs/dbraw/zinc/90/34/90/615903490.db2.gz QIGJZFACLSVADG-LLVKDONJSA-N 1 0 278.360 0.340 10 0 CCAERO COCc1nn(C)cc1C(=O)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC000908331692 616968195 /nfs/dbraw/zinc/96/81/95/616968195.db2.gz VKIABOWYQVJNHW-NEPJUHHUSA-N 1 0 292.383 0.590 10 0 CCAERO CCC1=C(C(=O)NC[C@H](O)CN2CCOCC2)CCCO1 ZINC000188314370 625444222 /nfs/dbraw/zinc/44/42/22/625444222.db2.gz ODUNDUDUTFUMEB-LBPRGKRZSA-N 1 0 298.383 0.270 10 0 CCAERO CC1(C)CCC(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000311059166 625470985 /nfs/dbraw/zinc/47/09/85/625470985.db2.gz YSCRFZRDIAWLBR-VXGBXAGGSA-N 1 0 275.414 0.950 10 0 CCAERO C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1ncn(C)c1Cl ZINC000193457159 625536733 /nfs/dbraw/zinc/53/67/33/625536733.db2.gz VKJAQOBHZDRBRG-HTQZYQBOSA-N 1 0 292.792 0.492 10 0 CCAERO Cc1cnn([C@H]2[C@H](O)C[C@@H]2[NH2+]Cc2c(C)n[nH]c2C)c1 ZINC000888077093 622823006 /nfs/dbraw/zinc/82/30/06/622823006.db2.gz INKRDPZBQKHRJQ-BFHYXJOUSA-N 1 0 275.356 0.996 10 0 CCAERO O=C(NC[C@@H](O)C(F)(F)F)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000236535101 623524915 /nfs/dbraw/zinc/52/49/15/623524915.db2.gz QESBNQDOVBLDFS-VDTYLAMSSA-N 1 0 294.195 0.568 10 0 CCAERO CO[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)CN1CCCCC1 ZINC000310877924 623588642 /nfs/dbraw/zinc/58/86/42/623588642.db2.gz NCFWJPFDKPMEID-MELADBBJSA-N 1 0 256.390 0.990 10 0 CCAERO CC1(C)COC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000313068623 625738167 /nfs/dbraw/zinc/73/81/67/625738167.db2.gz WVBNJOHGSKAPIW-OLZOCXBDSA-N 1 0 256.390 0.848 10 0 CCAERO CS(=O)(=O)c1cccnc1N1CC[C@@H](CC[NH3+])C1 ZINC000125509491 625900882 /nfs/dbraw/zinc/90/08/82/625900882.db2.gz PNDWPYXKIXQIRR-SNVBAGLBSA-N 1 0 269.370 0.660 10 0 CCAERO Cc1nccn1C[C@H]1CCCN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000178848311 631577614 /nfs/dbraw/zinc/57/76/14/631577614.db2.gz UXLBYFAAMCDAIC-OCCSQVGLSA-N 1 0 280.347 0.884 10 0 CCAERO [NH3+][C@H](CC1CC1)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000306112480 631857782 /nfs/dbraw/zinc/85/77/82/631857782.db2.gz WVCXNSWJRYDQKJ-CHWSQXEVSA-N 1 0 251.374 0.811 10 0 CCAERO [NH3+][C@H](C(=O)NC[C@@H]1CSCCS1)C1CCOCC1 ZINC000262082400 631888925 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C[C@@H]1C[NH2+]C[C@H]1c1nc([C@@H]2CN3CCN2CC3)no1 ZINC000094506272 649743950 /nfs/dbraw/zinc/74/39/50/649743950.db2.gz KGJQDBRGGJZTOE-MXWKQRLJSA-N 1 0 263.345 0.065 10 0 CCAERO CCOCC[N@@H+]1CCN(CC(OC)OC)C[C@H]1C ZINC000249397126 649745675 /nfs/dbraw/zinc/74/56/75/649745675.db2.gz RVLNVDJUOCHOBE-GFCCVEGCSA-N 1 0 260.378 0.648 10 0 CCAERO CN(C(=O)[C@@H]1CCCC[C@H]1C[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000250443634 649768359 /nfs/dbraw/zinc/76/83/59/649768359.db2.gz UILLKOUPDZCDHH-SDDRHHMPSA-N 1 0 288.413 0.397 10 0 CCAERO O=C(C[C@@H]1CCC[NH2+]C1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252545661 649828513 /nfs/dbraw/zinc/82/85/13/649828513.db2.gz JPEIBLIDBMJXNY-MELADBBJSA-N 1 0 281.400 0.356 10 0 CCAERO COC(=O)[C@@H]1CCCCN1C(=O)c1csc(CC[NH3+])n1 ZINC000090949555 349445485 /nfs/dbraw/zinc/44/54/85/349445485.db2.gz MCNDZNLZJLAABG-JTQLQIEISA-N 1 0 297.380 0.812 10 0 CCAERO Cc1nc(-c2cccc(NC(=O)C3C[NH2+]C3)c2)n[nH]1 ZINC000091409260 349461918 /nfs/dbraw/zinc/46/19/18/349461918.db2.gz IGVKGQFRCMRJGE-UHFFFAOYSA-N 1 0 257.297 0.938 10 0 CCAERO O=C(NC1CCN(c2ccccn2)CC1)C1C[NH2+]C1 ZINC000091406993 349461925 /nfs/dbraw/zinc/46/19/25/349461925.db2.gz PPVNHFJEAHZXJM-UHFFFAOYSA-N 1 0 260.341 0.386 10 0 CCAERO [NH3+][C@H]1CC[C@@H](C(=O)NCCCCn2ccnc2)C1 ZINC000091547678 349467122 /nfs/dbraw/zinc/46/71/22/349467122.db2.gz LIKCEPZPGKXSOD-NEPJUHHUSA-N 1 0 250.346 0.907 10 0 CCAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCCCCn2ccnc2)C1 ZINC000091547681 349467448 /nfs/dbraw/zinc/46/74/48/349467448.db2.gz LIKCEPZPGKXSOD-VXGBXAGGSA-N 1 0 250.346 0.907 10 0 CCAERO [NH3+]C1(C(=O)NC[C@@H](O)c2ccccc2)CCOCC1 ZINC000127742762 187329830 /nfs/dbraw/zinc/32/98/30/187329830.db2.gz VRSMHWYCDFJNQH-GFCCVEGCSA-N 1 0 264.325 0.344 10 0 CCAERO C[NH+](C)CCN1C[C@@H]2CN(c3ncc(F)cn3)C[C@@H]2C1=O ZINC000096080626 185091119 /nfs/dbraw/zinc/09/11/19/185091119.db2.gz DZFRGQAZRYFFAM-PWSUYJOCSA-N 1 0 293.346 0.072 10 0 CCAERO Cc1ccsc1C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000335497745 212176007 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ZINC000262518111 295673910 /nfs/dbraw/zinc/67/39/10/295673910.db2.gz DCYSPPTVXKVRSV-GHMZBOCLSA-N 1 0 254.330 0.540 10 0 CCAERO C[C@H]1C[NH2+]CCN1C(=O)c1cccc(C[S@@](C)=O)c1 ZINC000125495922 187187650 /nfs/dbraw/zinc/18/76/50/187187650.db2.gz BIWWBFPKUJFEIF-WLRWDXFRSA-N 1 0 280.393 0.999 10 0 CCAERO CC(C)C[NH+]1CCN(C(=O)NCC(=O)N2CCCC2)CC1 ZINC000097413845 349640970 /nfs/dbraw/zinc/64/09/70/349640970.db2.gz HUOSHSZEXRJDLB-UHFFFAOYSA-N 1 0 296.415 0.592 10 0 CCAERO C[C@H](O)CNC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000083446991 178461718 /nfs/dbraw/zinc/46/17/18/178461718.db2.gz XQSILGAROSXNIZ-JOYOIKCWSA-N 1 0 261.325 0.535 10 0 CCAERO C[C@H]1CCC[C@@H](OC[C@@H](O)C[NH2+]CCOCCO)C1 ZINC000100484940 349657761 /nfs/dbraw/zinc/65/77/61/349657761.db2.gz WLNOJXKVLWQYJS-MELADBBJSA-N 1 0 275.389 0.541 10 0 CCAERO CC[NH+](CC)CCNC(=O)NCCc1nc(C)no1 ZINC000101766056 349669552 /nfs/dbraw/zinc/66/95/52/349669552.db2.gz YGNPRPWSTVXMTN-UHFFFAOYSA-N 1 0 269.349 0.562 10 0 CCAERO CC(C)[N@H+](C)CCNC(=O)NC[C@H](C)N1CCOCC1 ZINC000101980915 349673269 /nfs/dbraw/zinc/67/32/69/349673269.db2.gz JSWRAUVCLZHAAK-ZDUSSCGKSA-N 1 0 286.420 0.347 10 0 CCAERO COCC[N@H+](C)CCNC(=O)N(C)C[C@@H]1CCCO1 ZINC000102905797 349686428 /nfs/dbraw/zinc/68/64/28/349686428.db2.gz RTESNEWSSVPAOO-LBPRGKRZSA-N 1 0 273.377 0.385 10 0 CCAERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)NC(C)(C)C ZINC000103285562 349695680 /nfs/dbraw/zinc/69/56/80/349695680.db2.gz DCZDMRUHECGRHO-ZJUUUORDSA-N 1 0 255.362 0.487 10 0 CCAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC000194023256 282198742 /nfs/dbraw/zinc/19/87/42/282198742.db2.gz ZCVSNVCXKUISDJ-MNOVXSKESA-N 1 0 253.346 0.208 10 0 CCAERO CC(C)NC(=O)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105882822 349726556 /nfs/dbraw/zinc/72/65/56/349726556.db2.gz VRSKYAVWTLOBHV-LBPRGKRZSA-N 1 0 265.361 0.515 10 0 CCAERO CC(=O)CC[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000106158086 349730027 /nfs/dbraw/zinc/73/00/27/349730027.db2.gz BLRLRKSTRBIAIN-UHFFFAOYSA-N 1 0 264.373 0.907 10 0 CCAERO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C)c1cccnc1 ZINC000126111722 187217620 /nfs/dbraw/zinc/21/76/20/187217620.db2.gz VBQAYHZBZHFMLK-MFKMUULPSA-N 1 0 278.356 0.358 10 0 CCAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCO[C@@]3(CCOC3)C2)C1 ZINC000342032673 282204739 /nfs/dbraw/zinc/20/47/39/282204739.db2.gz AFCYBVQSJCFFTC-NFAWXSAZSA-N 1 0 297.399 0.670 10 0 CCAERO C[NH2+]CCN(C)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000237303706 290660466 /nfs/dbraw/zinc/66/04/66/290660466.db2.gz DMNRWLJTHFWDSF-TZMCWYRMSA-N 1 0 290.367 0.279 10 0 CCAERO COC(=O)c1cncc(N[C@@H]2CC[C@H](C)[NH2+]C2)n1 ZINC000600955078 362099395 /nfs/dbraw/zinc/09/93/95/362099395.db2.gz JRRBNMCKMWKIQH-DTWKUNHWSA-N 1 0 250.302 0.816 10 0 CCAERO CCC[C@@H](C(=O)NCCSCC(=O)OC)[NH+](C)C ZINC000152897015 290672139 /nfs/dbraw/zinc/67/21/39/290672139.db2.gz OEXFAIWZBXMDRK-JTQLQIEISA-N 1 0 276.402 0.739 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CN1CCCC1=O ZINC000113229288 349806090 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C[C@@H](C(=O)N1CCC[C@@](O)(C(N)=O)C1)[NH+]1CCCCCC1 ZINC000375729064 295729629 /nfs/dbraw/zinc/72/96/29/295729629.db2.gz DJUKTVVFKQIQMD-WFASDCNBSA-N 1 0 297.399 0.090 10 0 CCAERO CCCCOC(=O)[C@@H](C)N1CCO[C@H](C[NH+](C)C)C1 ZINC000119301678 349928516 /nfs/dbraw/zinc/92/85/16/349928516.db2.gz DWYAIUAALQSXHC-CHWSQXEVSA-N 1 0 272.389 0.981 10 0 CCAERO C[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CCCO1 ZINC000333831976 299120639 /nfs/dbraw/zinc/12/06/39/299120639.db2.gz SWWJKNSDOJJVOJ-USZNOCQGSA-N 1 0 253.346 0.557 10 0 CCAERO COC(=O)[C@@H]1CCC[N@H+](C[C@@]2(OC)CCOC2)C1 ZINC000602435154 362615826 /nfs/dbraw/zinc/61/58/26/362615826.db2.gz RGABCNGAYVQGDP-YPMHNXCESA-N 1 0 257.330 0.677 10 0 CCAERO C[C@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)[C@H](C)N1CCOCC1 ZINC000105302718 299125542 /nfs/dbraw/zinc/12/55/42/299125542.db2.gz MDOBVMIBUANKTR-IHRRRGAJSA-N 1 0 298.431 0.441 10 0 CCAERO COC[C@@H](NC(=O)NC[C@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000119786179 349953013 /nfs/dbraw/zinc/95/30/13/349953013.db2.gz 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LEJHZQWIMOSWJX-AVGNSLFASA-N 1 0 280.393 0.787 10 0 CCAERO O=C(CCc1cccc(F)c1F)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262257088 137033073 /nfs/dbraw/zinc/03/30/73/137033073.db2.gz LYEZBKNKJPEHNO-PWSUYJOCSA-N 1 0 284.306 0.594 10 0 CCAERO CCS[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)C(C)C ZINC000262257154 137033436 /nfs/dbraw/zinc/03/34/36/137033436.db2.gz LYQHOGOGKRUWTJ-DCAQKATOSA-N 1 0 260.403 0.461 10 0 CCAERO CC[C@H](Oc1cccc(C)c1)C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262278802 137034499 /nfs/dbraw/zinc/03/44/99/137034499.db2.gz NQWYHYBPXRZVET-QEJZJMRPSA-N 1 0 292.379 0.849 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)C1(c2ccccc2)CCC1 ZINC000262286561 137035625 /nfs/dbraw/zinc/03/56/25/137035625.db2.gz OGXOVLQWTUSLPS-OCCSQVGLSA-N 1 0 274.364 0.805 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)C(F)(F)c1ccccc1 ZINC000262296819 137035979 /nfs/dbraw/zinc/03/59/79/137035979.db2.gz PEGAMSRGVQESKZ-MWLCHTKSSA-N 1 0 270.279 0.475 10 0 CCAERO Cc1ccccc1NCCC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262295697 137036005 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ZINC000263290083 137062915 /nfs/dbraw/zinc/06/29/15/137062915.db2.gz VNHCLGXWPGXPAC-GFCCVEGCSA-N 1 0 284.323 0.960 10 0 CCAERO CN1CC[NH2+]C[C@@H]1c1noc(CC[C@H]2CCCO2)n1 ZINC000263287644 137063046 /nfs/dbraw/zinc/06/30/46/137063046.db2.gz VHORHIBCSQIAND-GHMZBOCLSA-N 1 0 266.345 0.757 10 0 CCAERO O=C(NCc1ccc(Cn2cccn2)cc1)C1C[NH2+]C1 ZINC000263320567 137063926 /nfs/dbraw/zinc/06/39/26/137063926.db2.gz RFBHHHABHFBAQI-UHFFFAOYSA-N 1 0 270.336 0.767 10 0 CCAERO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CCCF ZINC000309857120 137071346 /nfs/dbraw/zinc/07/13/46/137071346.db2.gz KZWGROMGDUSXIV-VHSXEESVSA-N 1 0 252.355 0.796 10 0 CCAERO COCC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCCCNC2=O)C1 ZINC000332841828 137081388 /nfs/dbraw/zinc/08/13/88/137081388.db2.gz LIJUOZUGHMFSFI-CHWSQXEVSA-N 1 0 297.399 0.130 10 0 CCAERO CC(C)C[NH+](CC(C)C)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000004226971 347991077 /nfs/dbraw/zinc/99/10/77/347991077.db2.gz IPCPIEXSPKHBPJ-NEPJUHHUSA-N 1 0 263.403 0.758 10 0 CCAERO 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Cc1nc(NCC2CC[NH2+]CC2)sc1S(N)(=O)=O ZINC000310643788 354190746 /nfs/dbraw/zinc/19/07/46/354190746.db2.gz CLQWFJLBQBQTBY-UHFFFAOYSA-N 1 0 290.414 0.510 10 0 CCAERO CCn1cnnc1[C@H]1CCC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC000328637017 354243047 /nfs/dbraw/zinc/24/30/47/354243047.db2.gz COHNPMLNMPEBSU-RYUDHWBXSA-N 1 0 277.372 0.708 10 0 CCAERO CNC(=O)C[C@H](C)[NH2+]C[C@@H](O)COCc1ccco1 ZINC000322725638 354229342 /nfs/dbraw/zinc/22/93/42/354229342.db2.gz UCQYXZIRTBCVOG-WDEREUQCSA-N 1 0 270.329 0.271 10 0 CCAERO Cn1cc(N2CC[C@H]([NH2+][C@H]3CCO[C@@H]3C3CC3)C2=O)cn1 ZINC000330203438 354306116 /nfs/dbraw/zinc/30/61/16/354306116.db2.gz AVLYLEYTLAPLLU-MELADBBJSA-N 1 0 290.367 0.683 10 0 CCAERO COCCN1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@H]1C ZINC000333676006 354774533 /nfs/dbraw/zinc/77/45/33/354774533.db2.gz NYDJXOJTMYOLHO-ZIAGYGMSSA-N 1 0 298.431 0.491 10 0 CCAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCO[C@@H]2C)[C@@H](C)C1 ZINC000332989219 354741881 /nfs/dbraw/zinc/74/18/81/354741881.db2.gz HREFKPVLYVCSKW-UMSGYPCISA-N 1 0 285.388 0.260 10 0 CCAERO O=C(NCC[NH2+]C1CCCCCC1)N1CCO[C@H](CO)C1 ZINC000333874030 354808660 /nfs/dbraw/zinc/80/86/60/354808660.db2.gz VBCCWLAMTPPCSO-AWEZNQCLSA-N 1 0 299.415 0.702 10 0 CCAERO CO[C@H]1CCCN(C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333885627 354810926 /nfs/dbraw/zinc/81/09/26/354810926.db2.gz XDKFFNGIKOMZCV-RYUDHWBXSA-N 1 0 255.362 0.949 10 0 CCAERO C[C@@H]1CC[NH2+]C[C@H]1Nc1cc(N2CCC[C@H]2CO)ncn1 ZINC000333926563 354817060 /nfs/dbraw/zinc/81/70/60/354817060.db2.gz VNKPVFSSGFOOMR-FRRDWIJNSA-N 1 0 291.399 0.848 10 0 CCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)CCNC(=O)c1ccsc1 ZINC000423648594 235026961 /nfs/dbraw/zinc/02/69/61/235026961.db2.gz RNPYMLHLPIWDKU-GXSJLCMTSA-N 1 0 281.381 0.816 10 0 CCAERO O=C1NCCC[C@H]1[NH2+]Cc1cnn(CC(F)F)c1 ZINC000336792195 355165089 /nfs/dbraw/zinc/16/50/89/355165089.db2.gz QZNFBFGNLHHKAT-SECBINFHSA-N 1 0 258.272 0.516 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)C[C@H](O)CN1CCOCC1 ZINC000336826385 355201507 /nfs/dbraw/zinc/20/15/07/355201507.db2.gz NPIWHFHUGHFEQV-GJZGRUSLSA-N 1 0 285.432 0.096 10 0 CCAERO COc1ccc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)nn1 ZINC000338346177 355328048 /nfs/dbraw/zinc/32/80/48/355328048.db2.gz KBZVEZPSOPTZQF-WPRPVWTQSA-N 1 0 250.302 0.242 10 0 CCAERO CCC(=O)N1CC[C@H](C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)C1 ZINC000337168790 355276390 /nfs/dbraw/zinc/27/63/90/355276390.db2.gz ZQMGIMDQKIQNNL-YNEHKIRRSA-N 1 0 281.400 0.844 10 0 CCAERO CN1CC[C@H]([NH+]2CCC(c3ccnn3C)CC2)C1=O ZINC000116275266 283116715 /nfs/dbraw/zinc/11/67/15/283116715.db2.gz NEEIMCLURJBTLO-ZDUSSCGKSA-N 1 0 262.357 0.830 10 0 CCAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)NC[C@H]2CCC[C@@H]2O)C1 ZINC000341634130 355708655 /nfs/dbraw/zinc/70/86/55/355708655.db2.gz KNXIFCRPIDDLME-XQHKEYJVSA-N 1 0 269.389 0.929 10 0 CCAERO C[C@@H]1CN(CCN2C(=O)NC(C)(C)C2=O)C[C@@H]1[NH+](C)C ZINC000407950209 137815047 /nfs/dbraw/zinc/81/50/47/137815047.db2.gz BYBZGOHDOTWQRX-MNOVXSKESA-N 1 0 282.388 0.199 10 0 CCAERO CNC(=O)[C@@H]1CCCN1C(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000407995394 137820225 /nfs/dbraw/zinc/82/02/25/137820225.db2.gz HMPPVAMRKLUOJB-OLZOCXBDSA-N 1 0 281.400 0.988 10 0 CCAERO C[C@@H](CN1CCOCC1)N(C)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333844304 295925521 /nfs/dbraw/zinc/92/55/21/295925521.db2.gz OWIXPAXXBWEXNW-UONOGXRCSA-N 1 0 298.431 0.491 10 0 CCAERO CCc1nnc(CN2CC[C@@H]3OCCN(C)[C@H]3C2)[nH]1 ZINC000328903848 202107071 /nfs/dbraw/zinc/10/70/71/202107071.db2.gz ILFDBZUYCDFNLJ-QWRGUYRKSA-N 1 0 265.361 0.272 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)N2CCCC2)C1 ZINC000329127468 202197875 /nfs/dbraw/zinc/19/78/75/202197875.db2.gz ZAURGBCPXAHUIV-LLVKDONJSA-N 1 0 261.391 0.401 10 0 CCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2ccc(CO)c(F)c2)C1 ZINC000376650173 357488773 /nfs/dbraw/zinc/48/87/73/357488773.db2.gz CWAZHQJPHZJDAT-WCQYABFASA-N 1 0 282.315 0.311 10 0 CCAERO CC1(C)C[N@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)CCCO1 ZINC000377257403 357558035 /nfs/dbraw/zinc/55/80/35/357558035.db2.gz OKYAUDOUAFJGCM-LBPRGKRZSA-N 1 0 297.399 0.211 10 0 CCAERO Cc1nn(C)c(C)c1C[NH2+][C@H]1CCCN(CCO)C1 ZINC000384298567 357720450 /nfs/dbraw/zinc/72/04/50/357720450.db2.gz BBGROFCNOTWHDT-ZDUSSCGKSA-N 1 0 266.389 0.583 10 0 CCAERO N#Cc1ccccc1S(=O)(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000381237216 357709219 /nfs/dbraw/zinc/70/92/19/357709219.db2.gz YZVCNUIYZGMRMQ-YNEHKIRRSA-N 1 0 291.376 0.916 10 0 CCAERO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1COCC[NH2+]1 ZINC000388292707 357733131 /nfs/dbraw/zinc/73/31/31/357733131.db2.gz WZAPSMRRMVASHB-SECBINFHSA-N 1 0 269.305 0.520 10 0 CCAERO COCC1(CC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000401402255 357799777 /nfs/dbraw/zinc/79/97/77/357799777.db2.gz NFKMHKNQNKFENL-TUAOUCFPSA-N 1 0 252.358 0.999 10 0 CCAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC(=O)NC1 ZINC000407990005 357854287 /nfs/dbraw/zinc/85/42/87/357854287.db2.gz MMLXKJYLIARNOO-WDEREUQCSA-N 1 0 253.346 0.256 10 0 CCAERO C[C@H]1C[NH+](CCC2CCN(C(=O)CO)CC2)C[C@H](C)O1 ZINC000407999098 357859584 /nfs/dbraw/zinc/85/95/84/357859584.db2.gz UTQIZVMROWHKAM-STQMWFEESA-N 1 0 284.400 0.717 10 0 CCAERO OC1(C[N@@H+]2CCO[C@H](Cn3cncn3)C2)CCCC1 ZINC000407951532 357835701 /nfs/dbraw/zinc/83/57/01/357835701.db2.gz XPFNVBZAMYNGDW-LBPRGKRZSA-N 1 0 266.345 0.284 10 0 CCAERO Cc1c(C(=O)N2CCN[C@H](c3ccncc3)C2)cnn1C ZINC000407963210 357841909 /nfs/dbraw/zinc/84/19/09/357841909.db2.gz CXVXTOYNZFPUBA-AWEZNQCLSA-N 1 0 285.351 0.910 10 0 CCAERO CCOC(C)(C)CNC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000408023854 357871800 /nfs/dbraw/zinc/87/18/00/357871800.db2.gz WJBAWTBGGOAJQG-CHWSQXEVSA-N 1 0 299.415 0.916 10 0 CCAERO C[NH+](C)[C@@H]1CCN(C(=O)CNC(=O)C2CCCCC2)C1 ZINC000408026453 357874140 /nfs/dbraw/zinc/87/41/40/357874140.db2.gz YDWLNYWEEHFKJA-CYBMUJFWSA-N 1 0 281.400 0.845 10 0 CCAERO CO[C@H]1C[C@@H](C(=O)N2CCC(c3cc[nH]n3)CC2)[N@H+](C)C1 ZINC000408037720 357880264 /nfs/dbraw/zinc/88/02/64/357880264.db2.gz DCWRLPGNRCOWLK-JSGCOSHPSA-N 1 0 292.383 0.835 10 0 CCAERO C[C@@H]1C[N@H+](CC(=O)N2CCCC[C@H]2C)C[C@H]1C(N)=O ZINC000408047556 357887496 /nfs/dbraw/zinc/88/74/96/357887496.db2.gz HFRYDZGROFGJKA-IJLUTSLNSA-N 1 0 267.373 0.441 10 0 CCAERO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)[C@@H]1CC[C@H](C)O1 ZINC000408123599 357927614 /nfs/dbraw/zinc/92/76/14/357927614.db2.gz HZMPDJJFLUNZEO-LOWDOPEQSA-N 1 0 270.373 0.467 10 0 CCAERO CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](O)C1 ZINC000408088875 357914093 /nfs/dbraw/zinc/91/40/93/357914093.db2.gz HIPQAOQHYLFHLI-SDDRHHMPSA-N 1 0 285.388 0.559 10 0 CCAERO CC(C)(C(=O)N1CCN2CCC[C@H]2C1)S(C)(=O)=O ZINC000408150489 357941349 /nfs/dbraw/zinc/94/13/49/357941349.db2.gz QLJIXJHKIBCOJK-JTQLQIEISA-N 1 0 274.386 0.116 10 0 CCAERO C[C@@H]1C[N@H+](CC[C@@H]2CCCCO2)C[C@@H](C(N)=O)O1 ZINC000408194054 357962323 /nfs/dbraw/zinc/96/23/23/357962323.db2.gz GGYJDGSCSWVGSF-WOPDTQHZSA-N 1 0 256.346 0.520 10 0 CCAERO Cc1cc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)nc(C)n1 ZINC000408197953 357964648 /nfs/dbraw/zinc/96/46/48/357964648.db2.gz KRMQFZRQZXQQMY-GFCCVEGCSA-N 1 0 278.356 0.496 10 0 CCAERO C[C@H]1C[C@@H](C(=O)N2CCC(C[NH+](C)C)CC2)CC(=O)N1 ZINC000408200644 357966531 /nfs/dbraw/zinc/96/65/31/357966531.db2.gz BOPGXKNSFBVHKP-WCQYABFASA-N 1 0 281.400 0.701 10 0 CCAERO C[NH+]1CCC(NC(=O)N2CC[C@H](CCO)C2)CC1 ZINC000408250478 357992770 /nfs/dbraw/zinc/99/27/70/357992770.db2.gz MXCXATQTIANYCK-LLVKDONJSA-N 1 0 255.362 0.495 10 0 CCAERO C[C@@H]1CN(C(=O)C[NH2+][C@@H]2CCC[C@]2(C)CO)C[C@@H](C)O1 ZINC000408291145 358013744 /nfs/dbraw/zinc/01/37/44/358013744.db2.gz VMWUQDNZRMRSDY-RGCMKSIDSA-N 1 0 284.400 0.763 10 0 CCAERO NC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]32)C1 ZINC000408292191 358014132 /nfs/dbraw/zinc/01/41/32/358014132.db2.gz RJNICEBBJXOUHU-TUAOUCFPSA-N 1 0 265.357 0.195 10 0 CCAERO CNC(=O)N[C@H]1CC[N@H+](C[C@@H](O)C2CCCCC2)C1 ZINC000408310786 358027789 /nfs/dbraw/zinc/02/77/89/358027789.db2.gz VBZRBUHGWBKJTN-QWHCGFSZSA-N 1 0 269.389 0.931 10 0 CCAERO NC(=O)c1ncc([C@@H]2C[NH2+]CCOC2)c2cc[nH]c21 ZINC000584619806 359182396 /nfs/dbraw/zinc/18/23/96/359182396.db2.gz FFLWVOJHILKIAD-MRVPVSSYSA-N 1 0 260.297 0.365 10 0 CCAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC000562999360 291180313 /nfs/dbraw/zinc/18/03/13/291180313.db2.gz LBEZNRBQHBRRQR-CHWSQXEVSA-N 1 0 272.389 0.763 10 0 CCAERO COC[C@]1(C(=O)NCCCCCC(=O)OC)CCC[NH2+]1 ZINC000591592033 359603468 /nfs/dbraw/zinc/60/34/68/359603468.db2.gz LAVLGNGARATMTA-AWEZNQCLSA-N 1 0 286.372 0.605 10 0 CCAERO C[NH+](C)[C@@H]1CCN(C(=O)/C=C\c2cncc(O)c2)C1 ZINC000492478326 237200924 /nfs/dbraw/zinc/20/09/24/237200924.db2.gz XJHAGKHGPIZTCY-VSQXVHSFSA-N 1 0 261.325 0.963 10 0 CCAERO CNC(=O)c1ccc(N2CCC[C@@H](C)[C@H]2C[NH3+])nn1 ZINC000095013310 283475409 /nfs/dbraw/zinc/47/54/09/283475409.db2.gz QOUWSACHCAOBNQ-MWLCHTKSSA-N 1 0 263.345 0.400 10 0 CCAERO CC[N@@H+]1CCN(C(=O)c2cnn3ccncc23)[C@H](C)C1 ZINC000329327024 202284163 /nfs/dbraw/zinc/28/41/63/202284163.db2.gz UIJLMCKYXBCIKQ-LLVKDONJSA-N 1 0 273.340 0.896 10 0 CCAERO COC(=O)C[C@H]1CN(C(=O)CC[C@H]2CCC[NH2+]2)CCO1 ZINC000592211906 359799539 /nfs/dbraw/zinc/79/95/39/359799539.db2.gz NODKYOBLTYQRMD-NEPJUHHUSA-N 1 0 284.356 0.309 10 0 CCAERO CC(C)OCCC(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000563160305 291201271 /nfs/dbraw/zinc/20/12/71/291201271.db2.gz JLHYUHMRRKYWSG-RYUDHWBXSA-N 1 0 256.346 0.391 10 0 CCAERO O=C1CCCN1C[C@H](O)C[N@@H+]1CCOCC2(CC2)C1 ZINC000329426866 202332145 /nfs/dbraw/zinc/33/21/45/202332145.db2.gz GHBOBKWJAFKWJX-GFCCVEGCSA-N 1 0 268.357 0.082 10 0 CCAERO NC(=O)c1ccc(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000176643435 189002467 /nfs/dbraw/zinc/00/24/67/189002467.db2.gz JGJSPRMPMNHWPW-JTQLQIEISA-N 1 0 292.339 0.368 10 0 CCAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2cc[nH]n2)CC1 ZINC000176892461 189013526 /nfs/dbraw/zinc/01/35/26/189013526.db2.gz PPMGZLFNRUUXGT-LLVKDONJSA-N 1 0 280.372 0.575 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(C(N)=O)cn1 ZINC000177000897 189019711 /nfs/dbraw/zinc/01/97/11/189019711.db2.gz MNQRDSXDXJFBQO-LBPRGKRZSA-N 1 0 290.367 0.737 10 0 CCAERO O=S(=O)(CC[NH+]1CCCC1)N1CC[C@@H](F)C1 ZINC000336302650 213142790 /nfs/dbraw/zinc/14/27/90/213142790.db2.gz VEYYVWQFDKDNNX-SNVBAGLBSA-N 1 0 250.339 0.456 10 0 CCAERO C[C@H]1OCC[C@H]1NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000333621595 291229911 /nfs/dbraw/zinc/22/99/11/291229911.db2.gz RSIBUOXTJOPLNB-UJPOAAIJSA-N 1 0 267.373 0.851 10 0 CCAERO O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1CC[C@@H](CCO)C1 ZINC000408009772 296018626 /nfs/dbraw/zinc/01/86/26/296018626.db2.gz IEGJWAJAMSXXOG-ZFWWWQNUSA-N 1 0 296.411 0.861 10 0 CCAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@]1(O)CCOC1 ZINC000178933248 189155404 /nfs/dbraw/zinc/15/54/04/189155404.db2.gz FVLJEQKCKDMHHB-GDBMZVCRSA-N 1 0 292.379 0.427 10 0 CCAERO O=S1(=O)CCCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000563635517 291244107 /nfs/dbraw/zinc/24/41/07/291244107.db2.gz KQCVTFIZUPYRBC-IJLUTSLNSA-N 1 0 261.387 0.847 10 0 CCAERO CCOc1nccnc1NC[C@H]1C[NH2+]CCCO1 ZINC000563663918 291246009 /nfs/dbraw/zinc/24/60/09/291246009.db2.gz PPBRPSTYCYKBGY-SNVBAGLBSA-N 1 0 252.318 0.088 10 0 CCAERO COC(=O)[C@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000564471152 291282344 /nfs/dbraw/zinc/28/23/44/291282344.db2.gz QFZSLJODUICYJC-RYUDHWBXSA-N 1 0 268.357 0.788 10 0 CCAERO O=C([C@@H]1CNC(=O)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150800700 296054257 /nfs/dbraw/zinc/05/42/57/296054257.db2.gz VXKWJCSXXHDNTQ-QWHCGFSZSA-N 1 0 279.384 0.599 10 0 CCAERO CC(C)S(=O)(=O)CCCN1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839867 370706398 /nfs/dbraw/zinc/70/63/98/370706398.db2.gz LWMPYZVLHLXBSO-VXGBXAGGSA-N 1 0 262.419 0.726 10 0 CCAERO Cc1cc(CS(=O)(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)no1 ZINC000631966000 370793364 /nfs/dbraw/zinc/79/33/64/370793364.db2.gz LHNRJERJGPZSLO-WPRPVWTQSA-N 1 0 273.358 0.339 10 0 CCAERO C[C@H]1CN(S(=O)(=O)c2c[nH]c3ncccc23)C[C@@H]1C[NH3+] ZINC000631967418 370795180 /nfs/dbraw/zinc/79/51/80/370795180.db2.gz HVBRSFKGVONBMU-UWVGGRQHSA-N 1 0 294.380 0.778 10 0 CCAERO CC(C)(C)OC(=O)NCC[C@@H]1C[NH2+]CCN1CCO ZINC000616635343 365393183 /nfs/dbraw/zinc/39/31/83/365393183.db2.gz DJLDSGQRDNKKET-LLVKDONJSA-N 1 0 273.377 0.167 10 0 CCAERO CCOC(=O)c1ccc([C@@H]2C[NH2+]CCN2CCO)cc1 ZINC000616636513 365394713 /nfs/dbraw/zinc/39/47/13/365394713.db2.gz VAVCKQYZDRKMBN-AWEZNQCLSA-N 1 0 278.352 0.802 10 0 CCAERO NS(=O)(=O)N1CC[NH2+]C[C@@H]1c1cnc2ccccc2c1 ZINC000616635642 365394892 /nfs/dbraw/zinc/39/48/92/365394892.db2.gz JJPZBVCJPMGKME-CYBMUJFWSA-N 1 0 292.364 0.385 10 0 CCAERO CC(C)(C)OC(=O)NCCN1CCOC[C@@H]1C[NH3+] ZINC000616640115 365399802 /nfs/dbraw/zinc/39/98/02/365399802.db2.gz SRUKPSCTKRNBPJ-JTQLQIEISA-N 1 0 259.350 0.171 10 0 CCAERO [NH3+]CCN1CCO[C@@H](c2ccc(CCO)cc2)C1 ZINC000616645401 365403738 /nfs/dbraw/zinc/40/37/38/365403738.db2.gz CBTSNSBGTNVOMW-CQSZACIVSA-N 1 0 250.342 0.553 10 0 CCAERO C[C@]1(C(=O)N2CC[C@@H](N3CCOCC3)C2)CCC[NH2+]C1 ZINC000062976725 291354394 /nfs/dbraw/zinc/35/43/94/291354394.db2.gz UZSUUJXDLUWJCF-HIFRSBDPSA-N 1 0 281.400 0.309 10 0 CCAERO [NH3+]CC[C@@H]1COCCCN1S(=O)(=O)c1ccccc1 ZINC000616597365 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ZINC000623765634 367652166 /nfs/dbraw/zinc/65/21/66/367652166.db2.gz VQKCIDILFVRRQI-NWDGAFQWSA-N 1 0 265.309 0.697 10 0 CCAERO O[C@@H]1COCC[C@@H]1[NH2+]C1CCN(c2ccccn2)CC1 ZINC000624236955 367800746 /nfs/dbraw/zinc/80/07/46/367800746.db2.gz NGCROFWBJZOKSQ-UONOGXRCSA-N 1 0 277.368 0.790 10 0 CCAERO O=C(c1ccccc1F)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000335494627 212173116 /nfs/dbraw/zinc/17/31/16/212173116.db2.gz BUNJBVZIGYRLAX-NWDGAFQWSA-N 1 0 250.273 0.639 10 0 CCAERO [NH3+][C@H]1CCC[C@@H]1C(=O)NCCN1CCSCC1 ZINC000226389252 189774149 /nfs/dbraw/zinc/77/41/49/189774149.db2.gz GLWWOIOVDYGLMM-QWRGUYRKSA-N 1 0 257.403 0.279 10 0 CCAERO C[C@H]1CN(C(=O)c2nnn(C(C)(C)C)n2)C[C@H]1C[NH3+] ZINC000630091898 369950817 /nfs/dbraw/zinc/95/08/17/369950817.db2.gz PCCGVNUHHPGAGU-DTWKUNHWSA-N 1 0 266.349 0.095 10 0 CCAERO CO[C@H]1CN(CC(=O)Nc2cc(C)no2)[C@](C)(C[NH3+])C1 ZINC000630358595 370061204 /nfs/dbraw/zinc/06/12/04/370061204.db2.gz AVCAGRGQNSFPOI-MFKMUULPSA-N 1 0 282.344 0.360 10 0 CCAERO CCn1ncnc1CN1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630368941 370069719 /nfs/dbraw/zinc/06/97/19/370069719.db2.gz VADAAAGDFQXNHS-JQWIXIFHSA-N 1 0 253.350 0.236 10 0 CCAERO CO[C@H]1CN(C(=O)CC(F)(F)F)[C@@](C)(C[NH3+])C1 ZINC000630369635 370070755 /nfs/dbraw/zinc/07/07/55/370070755.db2.gz XBAWGRMIUZQVFQ-VXNVDRBHSA-N 1 0 254.252 0.904 10 0 CCAERO CO[C@H]1CN(C(=O)c2cnn(C)c2C)[C@](C)(C[NH3+])C1 ZINC000630369891 370070830 /nfs/dbraw/zinc/07/08/30/370070830.db2.gz XNGAIJRITHKVTM-MFKMUULPSA-N 1 0 266.345 0.307 10 0 CCAERO CO[C@H]1CN(C(=O)c2cncc(F)c2)[C@](C)(C[NH3+])C1 ZINC000630372907 370074139 /nfs/dbraw/zinc/07/41/39/370074139.db2.gz IDMLZOBYTYSXEZ-YPMHNXCESA-N 1 0 267.304 0.799 10 0 CCAERO CO[C@H]1CN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@](C)(C[NH3+])C1 ZINC000630375715 370077318 /nfs/dbraw/zinc/07/73/18/370077318.db2.gz BDFASXWBFLKJHJ-LARJDALCSA-N 1 0 252.358 0.997 10 0 CCAERO CO[C@H]1CN(C(=O)c2ncnc3[nH]ccc32)[C@](C)(C[NH3+])C1 ZINC000630378467 370082745 /nfs/dbraw/zinc/08/27/45/370082745.db2.gz WKSIQEPCDLUSNK-OTYXRUKQSA-N 1 0 289.339 0.488 10 0 CCAERO C[C@@H]1CN(c2ccccc2S(=O)(=O)N(C)C)C[C@H]1C[NH3+] ZINC000630385232 370087908 /nfs/dbraw/zinc/08/79/08/370087908.db2.gz CWSQHLBCYQRJCU-VXGBXAGGSA-N 1 0 297.424 0.968 10 0 CCAERO C[NH2+]CCOCCNc1ccc(S(C)(=O)=O)cc1 ZINC000630530440 370149745 /nfs/dbraw/zinc/14/97/45/370149745.db2.gz JZQJUORXXVEBSB-UHFFFAOYSA-N 1 0 272.370 0.738 10 0 CCAERO C[NH2+]CCOCCN(C)c1ccccc1S(C)(=O)=O ZINC000630531374 370150786 /nfs/dbraw/zinc/15/07/86/370150786.db2.gz VPUKPOBEEPALFT-UHFFFAOYSA-N 1 0 286.397 0.762 10 0 CCAERO C[C@H]1CC[C@H](Nc2cnn(C)c(=O)c2Cl)C[NH2+]1 ZINC000630535347 370155786 /nfs/dbraw/zinc/15/57/86/370155786.db2.gz UDVWLVPTZRVSFR-YUMQZZPRSA-N 1 0 256.737 0.986 10 0 CCAERO O=C(N[C@H]1CCSC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000336591484 284218330 /nfs/dbraw/zinc/21/83/30/284218330.db2.gz HFMORDJFQZWKAS-QWRGUYRKSA-N 1 0 255.387 0.982 10 0 CCAERO O=C(N[C@H]1CCCC[C@@H]1O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634770190 372218222 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CC(C)(C)c1cc(N2CCO[C@@H]3C[NH2+]C[C@@H]32)ncn1 ZINC000634810893 372255196 /nfs/dbraw/zinc/25/51/96/372255196.db2.gz LXOUUMXYHSPPNF-WDEREUQCSA-N 1 0 262.357 0.951 10 0 CCAERO CC[N@@H+]1CCCN(C(=O)N=c2nc[nH]n2C(C)C)CC1 ZINC000333138462 205064491 /nfs/dbraw/zinc/06/44/91/205064491.db2.gz CRKSIWNOYPBBOA-UHFFFAOYSA-N 1 0 280.376 0.840 10 0 CCAERO CN(C)c1ccc(NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)nc1 ZINC000333154739 205074909 /nfs/dbraw/zinc/07/49/09/205074909.db2.gz MWSQJUCGTLJHKV-IAZYJMLFSA-N 1 0 261.329 0.487 10 0 CCAERO CCN1C[C@@H](NC(=O)N2CCC3(CC[NH2+]3)CC2)CC1=O ZINC000333342037 205233520 /nfs/dbraw/zinc/23/35/20/205233520.db2.gz YHYOOXHZWIBHOP-NSHDSACASA-N 1 0 280.372 0.145 10 0 CCAERO C[C@H]1C[NH2+]CCN1C(=O)NCCC1CCOCC1 ZINC000333360585 205253766 /nfs/dbraw/zinc/25/37/66/205253766.db2.gz LASONZWDHRDIAX-NSHDSACASA-N 1 0 255.362 0.806 10 0 CCAERO O=C(NCC1CC[NH+](C2CC2)CC1)N1CCO[C@@H](CO)C1 ZINC000333511982 205391367 /nfs/dbraw/zinc/39/13/67/205391367.db2.gz FKDAEKWEYXOKAQ-CQSZACIVSA-N 1 0 297.399 0.264 10 0 CCAERO CCCN(C(=O)N[C@@H]1CCO[C@@H]1C)[C@H]1CC[NH2+]C1 ZINC000333605485 205493965 /nfs/dbraw/zinc/49/39/65/205493965.db2.gz PZFDNJATRKVPMR-GRYCIOLGSA-N 1 0 255.362 0.947 10 0 CCAERO CCCN1CCCN(C(=O)NC[C@H]2CC[NH2+]C2)CC1=O ZINC000333672012 205580689 /nfs/dbraw/zinc/58/06/89/205580689.db2.gz NFFCJXPPCBXFOO-LBPRGKRZSA-N 1 0 282.388 0.250 10 0 CCAERO COCC[C@H]1COCCN1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333745805 205664448 /nfs/dbraw/zinc/66/44/48/205664448.db2.gz YFZZVJMNQORANW-STQMWFEESA-N 1 0 285.388 0.575 10 0 CCAERO C[C@H](NC(=O)[C@]1(C[NH3+])CCCOC1)[C@H]1CCCO1 ZINC000637929017 374481004 /nfs/dbraw/zinc/48/10/04/374481004.db2.gz HDFNKTJNDKBHHX-LOWVWBTDSA-N 1 0 256.346 0.426 10 0 CCAERO CCN(CC)C(=O)CN(C)C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085368909 284478857 /nfs/dbraw/zinc/47/88/57/284478857.db2.gz ZOGCIZPVVHKYQB-WDEREUQCSA-N 1 0 255.362 0.441 10 0 CCAERO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCn2cc(C)cn2)C1 ZINC000638278484 374883199 /nfs/dbraw/zinc/88/31/99/374883199.db2.gz RPPDAFRSLXLIPM-WCQYABFASA-N 1 0 266.345 0.075 10 0 CCAERO COCCC1CCN(C(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000638465889 375068767 /nfs/dbraw/zinc/06/87/67/375068767.db2.gz GZNBRIHTNJUABA-ZDUSSCGKSA-N 1 0 270.373 0.498 10 0 CCAERO CC(C)(C(=O)N[C@H]1CO[C@@H](C2CC2)C1)N1CC[NH2+]CC1 ZINC000638695942 375301075 /nfs/dbraw/zinc/30/10/75/375301075.db2.gz SFXPHKBOXAPFEW-CHWSQXEVSA-N 1 0 281.400 0.354 10 0 CCAERO C[C@H]1CN(C(=O)CCCNC(=O)C(C)(C)C)C[C@@H]1C[NH3+] ZINC000638888607 375427771 /nfs/dbraw/zinc/42/77/71/375427771.db2.gz NUEGLSBXSKIJIA-RYUDHWBXSA-N 1 0 283.416 0.982 10 0 CCAERO C[C@@H]1CN(C(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)C[C@H]1C[NH3+] ZINC000638889400 375429121 /nfs/dbraw/zinc/42/91/21/375429121.db2.gz URQKLFMEXVVMCG-NJBDSQKTSA-N 1 0 297.424 0.494 10 0 CCAERO CC(=O)N1CCC[C@H]1C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638905858 375442492 /nfs/dbraw/zinc/44/24/92/375442492.db2.gz SOMYAIOGOJXXOD-WCQGTBRESA-N 1 0 253.346 0.051 10 0 CCAERO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCC[C@@H]2CF)C1 ZINC000334274877 206294672 /nfs/dbraw/zinc/29/46/72/206294672.db2.gz BHAQAEKMJNFWFZ-GHMZBOCLSA-N 1 0 264.366 0.702 10 0 CCAERO CCn1c(C)nnc1Cn1cc([C@@](C)([NH3+])CC)nn1 ZINC000641149575 376812575 /nfs/dbraw/zinc/81/25/75/376812575.db2.gz IHZHXKYQKZZWCP-LBPRGKRZSA-N 1 0 263.349 0.830 10 0 CCAERO CCn1c(C)nnc1Cn1cc([C@](C)([NH3+])CC)nn1 ZINC000641149571 376812762 /nfs/dbraw/zinc/81/27/62/376812762.db2.gz IHZHXKYQKZZWCP-GFCCVEGCSA-N 1 0 263.349 0.830 10 0 CCAERO OC[C@@]1(O)CCC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000313643641 249000470 /nfs/dbraw/zinc/00/04/70/249000470.db2.gz SDTCGFDJRYRHKR-HZPDHXFCSA-N 1 0 295.379 0.383 10 0 CCAERO CCOc1nccnc1N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000643017899 377690395 /nfs/dbraw/zinc/69/03/95/377690395.db2.gz SSVYJEHCAITNDB-NXEZZACHSA-N 1 0 252.318 0.428 10 0 CCAERO COc1ccc(S(=O)(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000643098213 377715680 /nfs/dbraw/zinc/71/56/80/377715680.db2.gz NXPWZWKYVCHOGP-QWHCGFSZSA-N 1 0 298.364 0.057 10 0 CCAERO CC[C@@](C)(O)C[NH+]1CCN(CC(=O)N2CCCC2)CC1 ZINC000123239542 284691671 /nfs/dbraw/zinc/69/16/71/284691671.db2.gz QABWXSSHVPBPLO-OAHLLOKOSA-N 1 0 283.416 0.387 10 0 CCAERO CCC[C@@H](C(=O)NCCCNC(=O)C(C)C)[NH+](C)C ZINC000127844103 284745654 /nfs/dbraw/zinc/74/56/54/284745654.db2.gz UWXGWOUAACCSNK-LBPRGKRZSA-N 1 0 271.405 0.995 10 0 CCAERO CC(C)[C@H]1CN(C(=O)C2(C[NH3+])CCOCC2)CCO1 ZINC000569972576 291724693 /nfs/dbraw/zinc/72/46/93/291724693.db2.gz IVGLQSYPDLFQLT-GFCCVEGCSA-N 1 0 270.373 0.625 10 0 CCAERO CCC[C@H](C(=O)N(C)C[C@@H](C)C(=O)NC)[NH+](C)C ZINC000130470944 284786389 /nfs/dbraw/zinc/78/63/89/284786389.db2.gz MUYCTTHTNISORY-GHMZBOCLSA-N 1 0 257.378 0.557 10 0 CCAERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@H]1CNC(=O)C1 ZINC000194876304 284936804 /nfs/dbraw/zinc/93/68/04/284936804.db2.gz PRVSXXQDVMHQOU-KGLIPLIRSA-N 1 0 289.379 0.412 10 0 CCAERO O=C1COc2ccc(C[NH2+]CC3CC(O)C3)cc2N1 ZINC000231643934 284953583 /nfs/dbraw/zinc/95/35/83/284953583.db2.gz QSZDUCMQQNEFAW-UHFFFAOYSA-N 1 0 262.309 0.878 10 0 CCAERO NC(=O)CCC[NH2+]C[C@H](O)COc1cccc(Cl)c1 ZINC000037894414 184544109 /nfs/dbraw/zinc/54/41/09/184544109.db2.gz CRKXEJBXKXPBNN-NSHDSACASA-N 1 0 286.759 0.935 10 0 CCAERO COC(=O)NCCC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000246789241 285033058 /nfs/dbraw/zinc/03/30/58/285033058.db2.gz CRAAWPYYSRBCPU-WDEREUQCSA-N 1 0 271.361 0.577 10 0 CCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)CC2CCOCC2)C[C@@H]1C ZINC000246806105 285033754 /nfs/dbraw/zinc/03/37/54/285033754.db2.gz RPVIMNXRWFWCHS-STQMWFEESA-N 1 0 284.400 0.717 10 0 CCAERO CCCOCC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000247018650 285040498 /nfs/dbraw/zinc/04/04/98/285040498.db2.gz WQDRSXUJAXEMNG-STQMWFEESA-N 1 0 272.389 0.717 10 0 CCAERO COCCN1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C[C@H]1C ZINC000261731128 285040883 /nfs/dbraw/zinc/04/08/83/285040883.db2.gz KWXALUDLJDVHFI-HZSPNIEDSA-N 1 0 283.416 0.683 10 0 CCAERO O[C@H](COC[C@H]1CCCO1)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000247049182 285041708 /nfs/dbraw/zinc/04/17/08/285041708.db2.gz 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CC(C)(C)n1nnc(CN2CC[C@H](CCO)C2)n1 ZINC000653559067 412317480 /nfs/dbraw/zinc/31/74/80/412317480.db2.gz DUBNGWOVRJIKFT-SNVBAGLBSA-N 1 0 253.350 0.632 10 0 CCAERO C[C@@H]([NH2+]CCc1cccc(F)c1)C(=O)NC(N)=O ZINC000035142992 172009434 /nfs/dbraw/zinc/00/94/34/172009434.db2.gz XIPHSFLVPWKAPU-MRVPVSSYSA-N 1 0 253.277 0.541 10 0 CCAERO CCC(CC)NC(=O)[C@@H](C)[NH2+]CC(=O)NC(C)C ZINC000035207167 172051790 /nfs/dbraw/zinc/05/17/90/172051790.db2.gz ZIOZAIFMKLAPSY-SNVBAGLBSA-N 1 0 257.378 0.794 10 0 CCAERO NC(=O)[C@H]1CCCN1c1nc2sccn2c1C[NH3+] ZINC000035430030 172197982 /nfs/dbraw/zinc/19/79/82/172197982.db2.gz PFIGTRBOOBEORG-SSDOTTSWSA-N 1 0 265.342 0.309 10 0 CCAERO CN(CC(N)=O)c1nc2sccn2c1C[NH2+]C1CC1 ZINC000035430312 172199561 /nfs/dbraw/zinc/19/95/61/172199561.db2.gz WLEZWUPGUYFQRX-UHFFFAOYSA-N 1 0 279.369 0.569 10 0 CCAERO CCc1cc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)[nH]n1 ZINC000285275436 196238454 /nfs/dbraw/zinc/23/84/54/196238454.db2.gz AWRMBDOKZLENRC-CHWSQXEVSA-N 1 0 278.356 0.517 10 0 CCAERO COc1cc(C[NH3+])cc(OC)c1OC[C@@H](C)C(N)=O ZINC000035662970 172341012 /nfs/dbraw/zinc/34/10/12/172341012.db2.gz GNUKIURSLORLJE-MRVPVSSYSA-N 1 0 268.313 0.663 10 0 CCAERO COCCCNS(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000035679446 172349809 /nfs/dbraw/zinc/34/98/09/172349809.db2.gz WLXRGBIEBWUOPL-UHFFFAOYSA-N 1 0 278.399 0.564 10 0 CCAERO O=S1(=O)C[C@@H](N2CC[NH2+]CC2)c2ccccc21 ZINC000035688240 172356965 /nfs/dbraw/zinc/35/69/65/172356965.db2.gz MMQCUUVZQZVSFM-LLVKDONJSA-N 1 0 252.339 0.420 10 0 CCAERO O=C(CC[C@@H]1CCC[NH2+]C1)N1CCC[C@H](CO)C1 ZINC000036227973 172524403 /nfs/dbraw/zinc/52/44/03/172524403.db2.gz SXQOWCVCKWYXLH-STQMWFEESA-N 1 0 254.374 0.997 10 0 CCAERO [NH3+]Cc1ccc(NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000037010063 172867841 /nfs/dbraw/zinc/86/78/41/172867841.db2.gz QOKLXHWAQVXIGL-LLVKDONJSA-N 1 0 283.353 0.454 10 0 CCAERO CN1CCO[C@H](C[N@H+](C)C[C@H]2CCC[C@@H](O)C2)C1 ZINC000659901017 413958666 /nfs/dbraw/zinc/95/86/66/413958666.db2.gz RIHQZDYSSRQLDW-MJBXVCDLSA-N 1 0 256.390 0.800 10 0 CCAERO C[N@@H+]1CC[C@H]2OCCN(C(=O)COc3cccnc3)[C@@H]2C1 ZINC000285655271 196356231 /nfs/dbraw/zinc/35/62/31/196356231.db2.gz GCWDUXRRHCTSJM-ZIAGYGMSSA-N 1 0 291.351 0.392 10 0 CCAERO O=S1(=O)CCCN1c1cccc2c1CC[NH2+]C2 ZINC000037372652 173161719 /nfs/dbraw/zinc/16/17/19/173161719.db2.gz ROYMFLBICXRGHQ-UHFFFAOYSA-N 1 0 252.339 0.872 10 0 CCAERO C[C@H](NC(=O)[C@H]1C[C@H](O)C[NH2+]1)c1ccccc1F ZINC000037764221 173690955 /nfs/dbraw/zinc/69/09/55/173690955.db2.gz XOTFDDZRNIOYKH-HOTUBEGUSA-N 1 0 252.289 0.726 10 0 CCAERO CCC(=O)NC1CCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000037814233 173762219 /nfs/dbraw/zinc/76/22/19/173762219.db2.gz UQPRMZGKRHMUQN-UHFFFAOYSA-N 1 0 267.373 0.503 10 0 CCAERO CC(=O)N[C@H]1CCCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000037815319 173763957 /nfs/dbraw/zinc/76/39/57/173763957.db2.gz GZLSZPPPGUHDKD-LBPRGKRZSA-N 1 0 253.346 0.256 10 0 CCAERO CC[C@H](C)[NH2+]CC(=O)N(C)Cc1nnc2n1CCC2 ZINC000037818537 173769999 /nfs/dbraw/zinc/76/99/99/173769999.db2.gz PFMYGVVONPTVDF-JTQLQIEISA-N 1 0 265.361 0.571 10 0 CCAERO CCN(CCC[NH2+]CC(C)(C)O)S(C)(=O)=O ZINC000038035649 174034095 /nfs/dbraw/zinc/03/40/95/174034095.db2.gz YOEQZNSUUJXITH-UHFFFAOYSA-N 1 0 252.380 0.019 10 0 CCAERO CCN(CCC[NH2+]C[C@@H]1CCCCO1)S(C)(=O)=O ZINC000038035795 174034212 /nfs/dbraw/zinc/03/42/12/174034212.db2.gz WBHWXPKHBTWWDS-LBPRGKRZSA-N 1 0 278.418 0.817 10 0 CCAERO CCN(CCC[NH2+][C@H]1CCCC[C@@H]1O)S(C)(=O)=O ZINC000038035646 174034242 /nfs/dbraw/zinc/03/42/42/174034242.db2.gz GHNKUZVJEWMNDX-RYUDHWBXSA-N 1 0 278.418 0.551 10 0 CCAERO O=C(NCC1CC1)[C@H]1CCCN1C1CC[NH2+]CC1 ZINC000038042857 174047064 /nfs/dbraw/zinc/04/70/64/174047064.db2.gz SMPZORHSLXJRIL-CYBMUJFWSA-N 1 0 251.374 0.729 10 0 CCAERO O=C(NCc1cn[nH]c1)[C@H]1CCCN1C1CC[NH2+]CC1 ZINC000038043364 174049597 /nfs/dbraw/zinc/04/95/97/174049597.db2.gz CSRUWQLFNXHXIA-CYBMUJFWSA-N 1 0 277.372 0.242 10 0 CCAERO [NH3+][C@@H]1CCCC[C@@H]1NC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000038048508 174059136 /nfs/dbraw/zinc/05/91/36/174059136.db2.gz HZKAEZPLBAUEHC-AXFHLTTASA-N 1 0 274.386 0.197 10 0 CCAERO C[C@H]([NH2+]C[C@@H]1COCCO1)C(=O)N1CCCCCC1 ZINC000038061864 174073347 /nfs/dbraw/zinc/07/33/47/174073347.db2.gz SNXWKHCKHVCZHN-QWHCGFSZSA-N 1 0 270.373 0.783 10 0 CCAERO CC(=O)N1CCC(NC(=O)CC2CC[NH2+]CC2)CC1 ZINC000038075484 174085860 /nfs/dbraw/zinc/08/58/60/174085860.db2.gz BBRRMODMVCELHG-UHFFFAOYSA-N 1 0 267.373 0.503 10 0 CCAERO NC(=[NH2+])c1cccc(O[C@H]2CCS(=O)(=O)C2)c1 ZINC000038084910 174094977 /nfs/dbraw/zinc/09/49/77/174094977.db2.gz KDVRUZBMJQBYEH-JTQLQIEISA-N 1 0 254.311 0.537 10 0 CCAERO NC(=[NH2+])c1ccc(O[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000038084913 174095194 /nfs/dbraw/zinc/09/51/94/174095194.db2.gz JYDCZVDVRIYXSU-SNVBAGLBSA-N 1 0 254.311 0.537 10 0 CCAERO NC(=[NH2+])c1cccc(O[C@@H]2CCS(=O)(=O)C2)c1 ZINC000038084909 174095253 /nfs/dbraw/zinc/09/52/53/174095253.db2.gz KDVRUZBMJQBYEH-SNVBAGLBSA-N 1 0 254.311 0.537 10 0 CCAERO CCCN([C@H]1CCS(=O)(=O)C1)C1CC[NH2+]CC1 ZINC000038085472 174096142 /nfs/dbraw/zinc/09/61/42/174096142.db2.gz GCTMOANQUQFWPX-LBPRGKRZSA-N 1 0 260.403 0.638 10 0 CCAERO COC(=O)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC000038101862 174117851 /nfs/dbraw/zinc/11/78/51/174117851.db2.gz FJUIAJDVZCDLOF-QWRGUYRKSA-N 1 0 254.330 0.683 10 0 CCAERO O=C(NC1CN([C@@H]2CC[NH2+]C2)C1)OCc1ccccc1 ZINC000039952182 174176811 /nfs/dbraw/zinc/17/68/11/174176811.db2.gz QMNGNCBYHVEHES-CQSZACIVSA-N 1 0 275.352 0.959 10 0 CCAERO C[NH+](C)C[C@@H](NC(=O)C1=NNC(=O)CC1)c1ccccc1 ZINC000040419645 174257048 /nfs/dbraw/zinc/25/70/48/174257048.db2.gz AJQKVMSJESGCBK-CYBMUJFWSA-N 1 0 288.351 0.672 10 0 CCAERO C[NH+](C)Cc1cccc(NC(=O)C2=NNC(=O)CC2)c1 ZINC000040433531 174261073 /nfs/dbraw/zinc/26/10/73/174261073.db2.gz YXYWMOGUJURVTR-UHFFFAOYSA-N 1 0 274.324 0.953 10 0 CCAERO C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H]1CC(=O)N(C)C1 ZINC000662695386 414742576 /nfs/dbraw/zinc/74/25/76/414742576.db2.gz KVLSABFNMWCNEY-WDEREUQCSA-N 1 0 269.389 0.605 10 0 CCAERO CO[C@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000662836206 414829856 /nfs/dbraw/zinc/82/98/56/414829856.db2.gz WVMCCMGVXZRISC-NEPJUHHUSA-N 1 0 256.346 0.250 10 0 CCAERO C[C@@H]1CCC[C@H](CNC(=O)C2(C[NH3+])CCOCC2)O1 ZINC000662875412 414863051 /nfs/dbraw/zinc/86/30/51/414863051.db2.gz OXTFBPIMEAMJMT-VXGBXAGGSA-N 1 0 270.373 0.816 10 0 CCAERO [NH3+]C1(C(=O)N2CCO[C@@H](CC(F)(F)F)C2)CCOCC1 ZINC000662955874 414916074 /nfs/dbraw/zinc/91/60/74/414916074.db2.gz VPSJYJBYWZPBAL-VIFPVBQESA-N 1 0 296.289 0.674 10 0 CCAERO Cc1n[nH]cc1C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662977170 414931212 /nfs/dbraw/zinc/93/12/12/414931212.db2.gz JZDKSBVTYSMZDR-ZETCQYMHSA-N 1 0 250.224 0.680 10 0 CCAERO Cc1nn(C)c(C)c1C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662978475 414932587 /nfs/dbraw/zinc/93/25/87/414932587.db2.gz QCWLZNBWDPAPRS-QMMMGPOBSA-N 1 0 278.278 0.999 10 0 CCAERO CCN1C[C@H](C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)CC1=O ZINC000662980998 414932615 /nfs/dbraw/zinc/93/26/15/414932615.db2.gz SGNKXQQRABSKRL-SFYZADRCSA-N 1 0 281.278 0.203 10 0 CCAERO CCc1ccc(S(=O)(=O)N(C)[C@@H]2C[NH2+]C[C@H]2O)s1 ZINC000042520994 174772451 /nfs/dbraw/zinc/77/24/51/174772451.db2.gz ZCGHUZFKMYEAJA-NXEZZACHSA-N 1 0 290.410 0.264 10 0 CCAERO COC[C@H]([NH3+])C(=O)N1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000663004602 414946443 /nfs/dbraw/zinc/94/64/43/414946443.db2.gz NETACLDOEHIPCX-LAEOZQHASA-N 1 0 266.288 0.231 10 0 CCAERO COC[C@H]([NH3+])C(=O)N1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000663004598 414946491 /nfs/dbraw/zinc/94/64/91/414946491.db2.gz NETACLDOEHIPCX-DKCNOQQISA-N 1 0 266.288 0.231 10 0 CCAERO CCC[C@H]([NH3+])C(=O)N1CCO[C@](C)(C(F)F)C1 ZINC000663007218 414947495 /nfs/dbraw/zinc/94/74/95/414947495.db2.gz FHGMPVACKVUHJD-KWQFWETISA-N 1 0 250.289 0.996 10 0 CCAERO C[C@@]1([NH2+]Cc2cccc(C(N)=O)c2)CCS(=O)(=O)C1 ZINC000044930518 175279575 /nfs/dbraw/zinc/27/95/75/175279575.db2.gz LPWZDSOQFZCYBV-CYBMUJFWSA-N 1 0 282.365 0.452 10 0 CCAERO CS(=O)(=O)c1ccc(CN2C[C@H]([NH3+])CC2=O)cc1 ZINC000045174006 175322933 /nfs/dbraw/zinc/32/29/33/175322933.db2.gz REBDOEYLGCCJOM-SNVBAGLBSA-N 1 0 268.338 0.150 10 0 CCAERO Cn1nc(CNCC[NH2+]CCO)c(-c2ccccc2)n1 ZINC000045946138 175387957 /nfs/dbraw/zinc/38/79/57/175387957.db2.gz PSTRPDVAXHNBLN-UHFFFAOYSA-N 1 0 275.356 0.154 10 0 CCAERO O[C@H](COC[C@@H]1CCCO1)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171626896 335072888 /nfs/dbraw/zinc/07/28/88/335072888.db2.gz NJYRIRZGFRGKBT-ILXRZTDVSA-N 1 0 284.400 0.323 10 0 CCAERO CCOC(=O)[C@H](CCN(C)C[C@@H]1CC[N@H+](C)C1)NC ZINC000071190965 176067819 /nfs/dbraw/zinc/06/78/19/176067819.db2.gz VKSDMAIJIHJBBQ-OLZOCXBDSA-N 1 0 271.405 0.411 10 0 CCAERO CC[NH2+]C[C@H](O)Cn1cc(C(F)(F)F)ccc1=O ZINC000071212010 176083615 /nfs/dbraw/zinc/08/36/15/176083615.db2.gz NLQCSQNRCNTPGR-VIFPVBQESA-N 1 0 264.247 0.838 10 0 CCAERO COCC[N@H+](CCC(N)=S)CC(=O)NCCC(C)C ZINC000071225433 176088837 /nfs/dbraw/zinc/08/88/37/176088837.db2.gz NXJJTUTWRQJFBV-UHFFFAOYSA-N 1 0 289.445 0.773 10 0 CCAERO Cc1cccnc1CNS(=O)(=O)C[C@H]1CCC[NH2+]C1 ZINC000071345458 176131499 /nfs/dbraw/zinc/13/14/99/176131499.db2.gz YQWLVQTYNGDLRH-LBPRGKRZSA-N 1 0 283.397 0.809 10 0 CCAERO CN(C)C(=O)CSc1nnc(C[NH3+])n1C1CC1 ZINC000071375786 176140738 /nfs/dbraw/zinc/14/07/38/176140738.db2.gz HDUZNLDGZLYUCT-UHFFFAOYSA-N 1 0 255.347 0.252 10 0 CCAERO COCCOc1ccc2c(c1)CCN(CC[NH3+])C2=O ZINC000071494740 176191723 /nfs/dbraw/zinc/19/17/23/176191723.db2.gz VEAPSMQSYHLTQY-UHFFFAOYSA-N 1 0 264.325 0.669 10 0 CCAERO C[NH2+]CCC(=O)NCCc1ccc2oc(=O)[nH]c2c1 ZINC000076361014 177002142 /nfs/dbraw/zinc/00/21/42/177002142.db2.gz FPVGPCLFNAQJMK-UHFFFAOYSA-N 1 0 263.297 0.389 10 0 CCAERO C[NH2+]CCN(C)CCc1ccc2c(c1)oc(=O)n2C ZINC000076362643 177002933 /nfs/dbraw/zinc/00/29/33/177002933.db2.gz BZQOKCDBRLFQGB-UHFFFAOYSA-N 1 0 263.341 0.825 10 0 CCAERO Cn1c2ccc(CCOC(=O)CC[NH3+])cc2oc1=O ZINC000076366213 177004902 /nfs/dbraw/zinc/00/49/02/177004902.db2.gz VZDPBRCKRHSYHT-UHFFFAOYSA-N 1 0 264.281 0.566 10 0 CCAERO COc1ccc(S(=O)(=O)N[C@@H](C)C[NH3+])c(OC)c1 ZINC000076434613 177024681 /nfs/dbraw/zinc/02/46/81/177024681.db2.gz RRMVDWTWUFWREK-QMMMGPOBSA-N 1 0 274.342 0.329 10 0 CCAERO C[NH2+]CCN(c1ccccc1OC)S(C)(=O)=O ZINC000076666426 177051229 /nfs/dbraw/zinc/05/12/29/177051229.db2.gz CKLHLLXZSQDIDP-UHFFFAOYSA-N 1 0 258.343 0.681 10 0 CCAERO [NH3+]C[C@@H](CC(=O)NC[C@@H]1CCCO1)c1ccccn1 ZINC000076678196 177056903 /nfs/dbraw/zinc/05/69/03/177056903.db2.gz HAQVEVKZUYFHRM-NEPJUHHUSA-N 1 0 263.341 0.809 10 0 CCAERO CC(C)C[C@@H](C[NH3+])CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000076818437 177107658 /nfs/dbraw/zinc/10/76/58/177107658.db2.gz RUJZYOIBLPMWRA-VXGBXAGGSA-N 1 0 290.429 0.643 10 0 CCAERO C[NH2+][C@H](C)c1ccnc(-n2cc(S(C)(=O)=O)cn2)c1 ZINC000725242331 545873498 /nfs/dbraw/zinc/87/34/98/545873498.db2.gz VBVSKXSKBJGIPN-SECBINFHSA-N 1 0 280.353 0.951 10 0 CCAERO CS(=O)(=O)c1cnn(-c2ccnc(C[NH3+])c2)c1 ZINC000725251545 545875408 /nfs/dbraw/zinc/87/54/08/545875408.db2.gz BAAHQMKBKMBACD-UHFFFAOYSA-N 1 0 252.299 0.130 10 0 CCAERO CS(=O)(=O)c1cnn([C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000725251768 545877167 /nfs/dbraw/zinc/87/71/67/545877167.db2.gz GVMGUJZZVYQZOK-MWLCHTKSSA-N 1 0 257.359 0.977 10 0 CCAERO CCC[NH2+]C[C@@H](O)CCCn1cc(S(C)(=O)=O)cn1 ZINC000725253579 545878800 /nfs/dbraw/zinc/87/88/00/545878800.db2.gz XRXXHMNGHYQFSP-NSHDSACASA-N 1 0 289.401 0.427 10 0 CCAERO [NH3+][C@@H](CNC(=O)NC1CCCCC1)[C@@H]1CCOC1 ZINC000725255028 545880888 /nfs/dbraw/zinc/88/08/88/545880888.db2.gz OJTVFJZYMABSOF-PWSUYJOCSA-N 1 0 255.362 0.982 10 0 CCAERO C[NH2+]Cc1nnn(CCSC)c1-c1ccnn1C ZINC000725256859 545879724 /nfs/dbraw/zinc/87/97/24/545879724.db2.gz BWFCGEREERBVSS-UHFFFAOYSA-N 1 0 266.374 0.761 10 0 CCAERO CS(=O)(=O)N1CC[C@@H]2CC[C@@]21[C@@H]1CCC[NH2+]C1 ZINC000725263570 545882927 /nfs/dbraw/zinc/88/29/27/545882927.db2.gz RHNQOVWNVSPERD-TUAOUCFPSA-N 1 0 258.387 0.800 10 0 CCAERO CCC[C@@H](C)C(=O)N1CC(N2C[C@@H]([NH3+])CC2=O)C1 ZINC000725272931 545889174 /nfs/dbraw/zinc/88/91/74/545889174.db2.gz UJZVFQPPESPNEX-ZJUUUORDSA-N 1 0 253.346 0.193 10 0 CCAERO CC(C)(CNC(=O)[C@H]1CCC[C@@H]1C[NH3+])S(C)(=O)=O ZINC000093526115 544542084 /nfs/dbraw/zinc/54/20/84/544542084.db2.gz GPXDRYAHPHTJRC-ZJUUUORDSA-N 1 0 276.402 0.301 10 0 CCAERO CN1CCN(C(=O)C2CCC([NH3+])CC2)C(C)(C)C1=O ZINC000094866069 544547526 /nfs/dbraw/zinc/54/75/26/544547526.db2.gz XBFUQKVABLBBAZ-UHFFFAOYSA-N 1 0 267.373 0.583 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000089456160 544512934 /nfs/dbraw/zinc/51/29/34/544512934.db2.gz INWKMJGNGNCWOI-WCFLWFBJSA-N 1 0 279.384 0.631 10 0 CCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCN(c2ncccn2)CC1 ZINC000089449359 544512942 /nfs/dbraw/zinc/51/29/42/544512942.db2.gz RNAXBIXAOAWDQQ-CHWSQXEVSA-N 1 0 289.383 0.500 10 0 CCAERO NC(=O)COc1cccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000089453081 544513008 /nfs/dbraw/zinc/51/30/08/544513008.db2.gz JAEVXRQBRNZTTM-GXFFZTMASA-N 1 0 291.351 0.864 10 0 CCAERO O=C(NC[C@@H]1CCC[C@H]1O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000089170076 544513025 /nfs/dbraw/zinc/51/30/25/544513025.db2.gz LAAMVXGWYRDBEX-NGZCFLSTSA-N 1 0 280.290 0.806 10 0 CCAERO CN(CC(=O)NC1CC1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089450843 544513704 /nfs/dbraw/zinc/51/37/04/544513704.db2.gz PFEKEKBEMHNSOK-GXSJLCMTSA-N 1 0 253.346 0.098 10 0 CCAERO NC(=O)C1CCC(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089451527 544513778 /nfs/dbraw/zinc/51/37/78/544513778.db2.gz GKPBRHMJAZVXPT-RUJICJSRSA-N 1 0 267.373 0.522 10 0 CCAERO CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H]1CN(C)CCO1 ZINC000091669656 544527876 /nfs/dbraw/zinc/52/78/76/544527876.db2.gz SSIRWLVZNHCYHQ-QWHCGFSZSA-N 1 0 271.405 0.444 10 0 CCAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CNC(=O)C1 ZINC000110995389 544561322 /nfs/dbraw/zinc/56/13/22/544561322.db2.gz WJXCSZHBXVUHEI-MNOVXSKESA-N 1 0 253.346 0.113 10 0 CCAERO CO[C@H]1CN(CC(=O)Nc2cc(C)on2)[C@](C)(C[NH3+])C1 ZINC000630362100 419461337 /nfs/dbraw/zinc/46/13/37/419461337.db2.gz NZSHWPBCMPGNAB-MFKMUULPSA-N 1 0 282.344 0.360 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCCNC(=O)C1CC1 ZINC000157914007 544686703 /nfs/dbraw/zinc/68/67/03/544686703.db2.gz OFDWPDNGUKVRPL-QWRGUYRKSA-N 1 0 253.346 0.004 10 0 CCAERO CC(=O)NC1CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000136183335 544638219 /nfs/dbraw/zinc/63/82/19/544638219.db2.gz XYGCGPGHNZYNBS-CQSZACIVSA-N 1 0 267.373 0.646 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000136375736 544638700 /nfs/dbraw/zinc/63/87/00/544638700.db2.gz OBACBFAMZHAIKC-KGLIPLIRSA-N 1 0 283.416 0.683 10 0 CCAERO CNS(=O)(=O)c1ccc(NC(=O)C[C@@H]([NH3+])C(C)C)cc1 ZINC000136353411 544638929 /nfs/dbraw/zinc/63/89/29/544638929.db2.gz QKFFNEWYCAQYSZ-GFCCVEGCSA-N 1 0 299.396 0.907 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCN(c2cnccn2)CC1 ZINC000136399680 544639028 /nfs/dbraw/zinc/63/90/28/544639028.db2.gz ZFQXZLXCBFBNTC-LBPRGKRZSA-N 1 0 277.372 0.499 10 0 CCAERO CCN(CC)C(=O)CN(C)C(=O)C[C@H]([NH3+])C(C)C ZINC000136398479 544639190 /nfs/dbraw/zinc/63/91/90/544639190.db2.gz SOTDNLXJVVYEMC-NSHDSACASA-N 1 0 257.378 0.687 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCC(NC(=O)C2CC2)CC1 ZINC000136392251 544639388 /nfs/dbraw/zinc/63/93/88/544639388.db2.gz UTUHZDPKXIVZOQ-ZDUSSCGKSA-N 1 0 281.400 0.877 10 0 CCAERO COC[C@@H]([NH3+])C(=O)Nc1ccccc1-n1cncn1 ZINC000167790959 544729035 /nfs/dbraw/zinc/72/90/35/544729035.db2.gz DYZVPGBAJBHCGN-SECBINFHSA-N 1 0 261.285 0.180 10 0 CCAERO CCC[C@H](C(=O)N1CCC(NC(C)=O)CC1)[NH+](C)C ZINC000161852895 544708997 /nfs/dbraw/zinc/70/89/97/544708997.db2.gz CAIVPQVBTYLNCZ-CYBMUJFWSA-N 1 0 269.389 0.844 10 0 CCAERO CC[C@H]([NH2+]C[C@H](O)CN1CCCC1=O)[C@H]1CCCO1 ZINC000182348218 544761944 /nfs/dbraw/zinc/76/19/44/544761944.db2.gz ZTVBUSAMADYULY-RWMBFGLXSA-N 1 0 270.373 0.517 10 0 CCAERO CCc1nn(C)cc1CN1CCO[C@H](C[NH+](C)C)C1 ZINC000183399834 544768053 /nfs/dbraw/zinc/76/80/53/544768053.db2.gz FMPCMQGPGGPXDI-CYBMUJFWSA-N 1 0 266.389 0.745 10 0 CCAERO COC[C@H]([NH2+]C[C@@H](O)CN1CCCC1=O)c1ccc(C)o1 ZINC000184732984 544774492 /nfs/dbraw/zinc/77/44/92/544774492.db2.gz UGHMWVDCPYJJAE-OLZOCXBDSA-N 1 0 296.367 0.848 10 0 CCAERO CC(C)[N@H+]1C[C@H](NC(=O)c2cnn(C)c2N)[C@@H](C)C1 ZINC000185309790 544776112 /nfs/dbraw/zinc/77/61/12/544776112.db2.gz LKUDPHWHNQQTBG-ONGXEEELSA-N 1 0 265.361 0.461 10 0 CCAERO COC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000221978162 544818610 /nfs/dbraw/zinc/81/86/10/544818610.db2.gz XWKMSBPKZOSGTH-GHMZBOCLSA-N 1 0 254.330 0.350 10 0 CCAERO CC(=O)NCC1CCN(C(=O)C[C@H]([NH3+])C(C)C)CC1 ZINC000226303843 544830271 /nfs/dbraw/zinc/83/02/71/544830271.db2.gz KBOUQVDWLZHBNF-ZDUSSCGKSA-N 1 0 269.389 0.735 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000228485490 544842832 /nfs/dbraw/zinc/84/28/32/544842832.db2.gz IEFYTBQVKJTAHX-HBNTYKKESA-N 1 0 255.362 0.472 10 0 CCAERO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CNC3=[NH+]CCN32)C1 ZINC000232497932 544864798 /nfs/dbraw/zinc/86/47/98/544864798.db2.gz QFZCTEOMFPQMHZ-WDEREUQCSA-N 1 0 280.372 0.887 10 0 CCAERO CC(C)(C)N1C[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1=O ZINC000261651873 544936008 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CC(=O)N[C@H](C)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000408143976 278163476 /nfs/dbraw/zinc/16/34/76/278163476.db2.gz FHQAGTSSCVQRDO-ADEWGFFLSA-N 1 0 253.346 0.064 10 0 CCAERO CC1(C)CN(C(=O)C(=O)N2CC3(C2)CCCC3)CC[C@H]1[NH3+] ZINC000335377561 278291989 /nfs/dbraw/zinc/29/19/89/278291989.db2.gz MQPGFHWAWOJMJG-GFCCVEGCSA-N 1 0 293.411 0.975 10 0 CCAERO CC(C)(C)N1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1=O ZINC000261651867 278351661 /nfs/dbraw/zinc/35/16/61/278351661.db2.gz DPQOBWDRMRBZSQ-GRYCIOLGSA-N 1 0 281.400 0.877 10 0 CCAERO CC(C)N(C)C(=O)C[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000103286327 279324412 /nfs/dbraw/zinc/32/44/12/279324412.db2.gz OWBZQZJGHLHSED-WDEREUQCSA-N 1 0 255.362 0.439 10 0 CCAERO CCN1C[C@H](C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)CC1=O ZINC000190738050 279443908 /nfs/dbraw/zinc/44/39/08/279443908.db2.gz BKPWMPSFZQBDLQ-NEPJUHHUSA-N 1 0 279.384 0.598 10 0 CCAERO [NH3+]C1(C(=O)N2CC[C@H](N3CCOCC3)C2)CCCCC1 ZINC000062976789 279614365 /nfs/dbraw/zinc/61/43/65/279614365.db2.gz DIMUFUZLHHFQBX-ZDUSSCGKSA-N 1 0 281.400 0.581 10 0 CCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCn2c(nnc2C2CC2)C1 ZINC000261882283 279653854 /nfs/dbraw/zinc/65/38/54/279653854.db2.gz ZEUKNGJMLQUKSX-VXGBXAGGSA-N 1 0 289.383 0.873 10 0 CCAERO CCS(=O)(=O)NCC[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000152751827 280024422 /nfs/dbraw/zinc/02/44/22/280024422.db2.gz KDANZYZUIXYPMR-NEPJUHHUSA-N 1 0 276.402 0.427 10 0 CCAERO CC[C@H]1CN([C@@H]2CCN(C)C2=O)CC[N@@H+]1CCOC ZINC000116278090 281174772 /nfs/dbraw/zinc/17/47/72/281174772.db2.gz PGMGEEKVVJNJFC-QWHCGFSZSA-N 1 0 269.389 0.260 10 0 CCAERO CN(C(=O)N[C@@H]1C[C@@H]1C1CCCCC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333140542 281792442 /nfs/dbraw/zinc/79/24/42/281792442.db2.gz CZIGHLCWMSLYEY-MQYQWHSLSA-N 1 0 281.400 0.929 10 0 CCAERO C[C@H](C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1 ZINC000424048440 289291807 /nfs/dbraw/zinc/29/18/07/289291807.db2.gz ZXYHDLKGVVSVQK-FPMFFAJLSA-N 1 0 260.337 0.989 10 0 CCAERO CC(C)[N@H+](C)C[C@H](O)CN1CC[C@@H](N2CCOCC2)C1 ZINC000383818625 545085017 /nfs/dbraw/zinc/08/50/17/545085017.db2.gz DJNBVSIYBGXTOL-CABCVRRESA-N 1 0 285.432 0.094 10 0 CCAERO COC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000262392413 293118160 /nfs/dbraw/zinc/11/81/60/293118160.db2.gz YYDVAHLYUGDYPT-TUAOUCFPSA-N 1 0 266.345 0.457 10 0 CCAERO COc1ccc(C[NH2+][C@H]2CCCN(CCO)C2)cn1 ZINC000384585195 545085256 /nfs/dbraw/zinc/08/52/56/545085256.db2.gz OHCLQDPQHRGTJC-ZDUSSCGKSA-N 1 0 265.357 0.637 10 0 CCAERO [NH3+]C[C@@H]1CCCN1S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000261655893 295253078 /nfs/dbraw/zinc/25/30/78/295253078.db2.gz IIVRFQBCNICWOH-JTQLQIEISA-N 1 0 284.385 0.331 10 0 CCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000261645631 295271422 /nfs/dbraw/zinc/27/14/22/295271422.db2.gz CZZVPSYNVUZNEG-MGPQQGTHSA-N 1 0 291.399 0.892 10 0 CCAERO O=C(NC1C[NH2+]C1)N1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000335395802 295627547 /nfs/dbraw/zinc/62/75/47/295627547.db2.gz KFQGSFAQZPDTHB-WDEREUQCSA-N 1 0 251.330 0.169 10 0 CCAERO 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COc1cc(CC(=O)NC[C@H]2C[NH2+]C[C@H]2O)ccc1C ZINC000262383734 137041796 /nfs/dbraw/zinc/04/17/96/137041796.db2.gz XGHRZRJMGNFCPT-CHWSQXEVSA-N 1 0 278.352 0.243 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1Cc2ccccc2S1 ZINC000262386600 137041842 /nfs/dbraw/zinc/04/18/42/137041842.db2.gz XLDOEUCHOUMDDA-GMXVVIOVSA-N 1 0 278.377 0.400 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000262394297 137041868 /nfs/dbraw/zinc/04/18/68/137041868.db2.gz YDUZCBCMZGGQFC-GTUGTTAGSA-N 1 0 296.317 0.765 10 0 CCAERO Cc1nn(C)c2sc(C(=O)NC[C@H]3C[NH2+]C[C@@H]3O)cc12 ZINC000262401919 137041931 /nfs/dbraw/zinc/04/19/31/137041931.db2.gz YRCVWOVCPJGKRZ-SCZZXKLOSA-N 1 0 294.380 0.253 10 0 CCAERO O=C(CCc1nc2ccccc2[nH]1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262410504 137042628 /nfs/dbraw/zinc/04/26/28/137042628.db2.gz ZFXAYADVUJUZRE-ZWNOBZJWSA-N 1 0 288.351 0.192 10 0 CCAERO CC1CCN(C(=[NH2+])NC[C@H]2CCCC(=O)N2)CC1 ZINC000262706723 137051310 /nfs/dbraw/zinc/05/13/10/137051310.db2.gz BPYJVAVMAHSNCH-LLVKDONJSA-N 1 0 252.362 0.911 10 0 CCAERO CO[C@@H]1[C@@H](C)[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)C1(C)C ZINC000262818404 137053763 /nfs/dbraw/zinc/05/37/63/137053763.db2.gz WFJHTJKRXHEJEF-AQUOVQTQSA-N 1 0 292.383 0.845 10 0 CCAERO C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000261974706 297250480 /nfs/dbraw/zinc/25/04/80/297250480.db2.gz BTDUQEGVLYRQJQ-MNOVXSKESA-N 1 0 298.412 0.577 10 0 CCAERO C[C@H](CO[C@H]1CCOC1)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261819510 137021641 /nfs/dbraw/zinc/02/16/41/137021641.db2.gz SMIVEXXEITXSJS-FVCCEPFGSA-N 1 0 270.373 0.672 10 0 CCAERO CCC[C@@H](NC(N)=O)C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261835738 137021868 /nfs/dbraw/zinc/02/18/68/137021868.db2.gz LFWFIGACGLRHPS-ZJUUUORDSA-N 1 0 270.377 0.409 10 0 CCAERO C[C@@H]([NH3+])CC(=O)N1CCC[C@H]1C(=O)N1CCSCC1 ZINC000261849207 137022307 /nfs/dbraw/zinc/02/23/07/137022307.db2.gz OOIIPHZBYAIHCV-MNOVXSKESA-N 1 0 285.413 0.290 10 0 CCAERO [NH3+]C[C@H]1CC[C@@H](C(=O)NCc2ccccc2OCCO)O1 ZINC000261879684 137023809 /nfs/dbraw/zinc/02/38/09/137023809.db2.gz ULHSCDZXQSETSV-OCCSQVGLSA-N 1 0 294.351 0.180 10 0 CCAERO C[C@@H]1CCN(C(=O)CCN2C(=O)CCC2=O)[C@@H](C[NH3+])C1 ZINC000261901220 137025275 /nfs/dbraw/zinc/02/52/75/137025275.db2.gz WIHOPGPVFGXFQK-GHMZBOCLSA-N 1 0 281.356 0.111 10 0 CCAERO [NH3+]C1(C(=O)NC[C@@H](O)c2cccc(Cl)c2)CCOCC1 ZINC000261925423 137026115 /nfs/dbraw/zinc/02/61/15/137026115.db2.gz VPTUPYXZEMPSEU-GFCCVEGCSA-N 1 0 298.770 0.998 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccccc1-n1cccn1 ZINC000262206083 137030969 /nfs/dbraw/zinc/03/09/69/137030969.db2.gz INXIXLDPYARBLY-SMDDNHRTSA-N 1 0 286.335 0.182 10 0 CCAERO CC(C)(C(=O)NC[C@@H]1C[NH2+]C[C@H]1O)c1ccccc1 ZINC000262217120 137031349 /nfs/dbraw/zinc/03/13/49/137031349.db2.gz JDTMPWHUHIWOAV-WCQYABFASA-N 1 0 262.353 0.661 10 0 CCAERO Cc1c(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)oc2c1C(=O)CCC2 ZINC000262227624 137031924 /nfs/dbraw/zinc/03/19/24/137031924.db2.gz KBIAVWHUMBPQDU-GXSJLCMTSA-N 1 0 292.335 0.417 10 0 CCAERO CCOc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1OC ZINC000262229126 137031994 /nfs/dbraw/zinc/03/19/94/137031994.db2.gz KDBJTXDGAASWHT-VXGBXAGGSA-N 1 0 294.351 0.404 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cccc(F)c1F ZINC000262233398 137032284 /nfs/dbraw/zinc/03/22/84/137032284.db2.gz KLHJAECWCOZIPC-OIBJUYFYSA-N 1 0 256.252 0.275 10 0 CCAERO C[C@H](Oc1ccccc1Cl)C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262250090 137032708 /nfs/dbraw/zinc/03/27/08/137032708.db2.gz LNKNQRPRPBIKBO-HOSYDEDBSA-N 1 0 298.770 0.804 10 0 CCAERO O=C(C1C[NH2+]C1)N1CCO[C@H](c2cccs2)C1 ZINC000262243916 137032730 /nfs/dbraw/zinc/03/27/30/137032730.db2.gz OMOMUUUEPBPUSP-JTQLQIEISA-N 1 0 252.339 0.867 10 0 CCAERO CC(C)Nc1ncccc1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262269763 137034138 /nfs/dbraw/zinc/03/41/38/137034138.db2.gz MWCBZTYTYFDFSP-JQWIXIFHSA-N 1 0 278.356 0.212 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cc(-c2ccccc2)n[nH]1 ZINC000262267973 137034160 /nfs/dbraw/zinc/03/41/60/137034160.db2.gz MSLHFSINBGEKTI-RISCZKNCSA-N 1 0 286.335 0.387 10 0 CCAERO CC(C)(C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)c1cccc(F)c1 ZINC000262278812 137034497 /nfs/dbraw/zinc/03/44/97/137034497.db2.gz NRAOIWZRFLXDHU-GWCFXTLKSA-N 1 0 280.343 0.800 10 0 CCAERO O=C(C[C@H]1COCC[NH2+]1)NC[C@@H](O)c1cccc(Cl)c1 ZINC000262297848 137036015 /nfs/dbraw/zinc/03/60/15/137036015.db2.gz ZPBQITRJTUIUMQ-QWHCGFSZSA-N 1 0 298.770 0.868 10 0 CCAERO COC[C@@H]([NH3+])C(=O)NC[C@@H](O)c1ccc(Cl)cc1 ZINC000262314731 137036905 /nfs/dbraw/zinc/03/69/05/137036905.db2.gz PNRUUOULZWEREY-GHMZBOCLSA-N 1 0 272.732 0.463 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1occc1Br ZINC000262320248 137037705 /nfs/dbraw/zinc/03/77/05/137037705.db2.gz RFSWJDZDFMPBAE-XPUUQOCRSA-N 1 0 289.129 0.352 10 0 CCAERO O=C(Cc1ccc(F)cc1F)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262329055 137037844 /nfs/dbraw/zinc/03/78/44/137037844.db2.gz SCWFEBJVZDYMJQ-JOYOIKCWSA-N 1 0 270.279 0.204 10 0 CCAERO CCN(CC)C(=O)CCc1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263269732 137062245 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WASYEFGILCHHGY-WDEREUQCSA-N 1 0 266.345 0.818 10 0 CCAERO C[NH2+]CCOCCNc1nc(C)cc(C(C)C)n1 ZINC000630527087 370146807 /nfs/dbraw/zinc/14/68/07/370146807.db2.gz IEYTXNDLJSDPGO-UHFFFAOYSA-N 1 0 252.362 0.978 10 0 CCAERO CCc1ncnc(N(C)CCOCC[NH2+]C)c1F ZINC000630530204 370149481 /nfs/dbraw/zinc/14/94/81/370149481.db2.gz HJXKIQXXPYMLJR-UHFFFAOYSA-N 1 0 256.325 0.850 10 0 CCAERO C[C@H]1CN(c2ncccc2S(C)(=O)=O)C[C@@H]1C[NH3+] ZINC000630552099 370163690 /nfs/dbraw/zinc/16/36/90/370163690.db2.gz BSMMXRPLOYOMHH-UWVGGRQHSA-N 1 0 269.370 0.516 10 0 CCAERO C[C@@H]1CN(c2ncccc2S(C)(=O)=O)C[C@H]1C[NH3+] ZINC000630552093 370164020 /nfs/dbraw/zinc/16/40/20/370164020.db2.gz BSMMXRPLOYOMHH-NXEZZACHSA-N 1 0 269.370 0.516 10 0 CCAERO CCC[NH2+]CCNC(=O)Cn1ncc(=O)c2ccccc21 ZINC000236775522 189843793 /nfs/dbraw/zinc/84/37/93/189843793.db2.gz NOZKKBPEYSWLEQ-UHFFFAOYSA-N 1 0 288.351 0.512 10 0 CCAERO COC[C@@H](NC(=O)[C@]12CCC[C@H]1C[NH2+]C2)C1CC1 ZINC000634770332 372220742 /nfs/dbraw/zinc/22/07/42/372220742.db2.gz HWQGMKIVQKYENH-SCRDCRAPSA-N 1 0 252.358 0.917 10 0 CCAERO CCN(C)C(=O)[C@H](C)NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000365067176 284314152 /nfs/dbraw/zinc/31/41/52/284314152.db2.gz CCSSOLDRYZCSMU-YNEHKIRRSA-N 1 0 296.415 0.589 10 0 CCAERO Cc1nc2ccc(NC(=O)N3CC[NH2+]C[C@@H]3C)cn2n1 ZINC000333301904 205198527 /nfs/dbraw/zinc/19/85/27/205198527.db2.gz KKDMITJDQBSNDY-VIFPVBQESA-N 1 0 274.328 0.863 10 0 CCAERO COc1cnc(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)nc1 ZINC000333362446 205254467 /nfs/dbraw/zinc/25/44/67/205254467.db2.gz SZSGXVRXHXYOIV-WCBMZHEXSA-N 1 0 265.317 0.605 10 0 CCAERO C[C@H]([C@H](C)NC(=O)N[C@H]1CCCC[NH2+]C1)N1CCOCC1 ZINC000333430903 205314625 /nfs/dbraw/zinc/31/46/25/205314625.db2.gz UNPFEBMOBJIAKF-MJBXVCDLSA-N 1 0 298.431 0.537 10 0 CCAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CCC[C@](F)(CO)C1 ZINC000333478917 205356567 /nfs/dbraw/zinc/35/65/67/205356567.db2.gz BWEBGQJPTGISFT-WCQYABFASA-N 1 0 273.352 0.635 10 0 CCAERO O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N1CCC[C@@H](O)C1 ZINC000333485803 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[NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000637933777 374486185 /nfs/dbraw/zinc/48/61/85/374486185.db2.gz QFUHWBQCEWSQJW-KKOKHZNYSA-N 1 0 254.330 0.273 10 0 CCAERO Cc1cccc(S(=O)(=O)N2C[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000334163881 206122952 /nfs/dbraw/zinc/12/29/52/206122952.db2.gz SVHXJHKQTRHUPO-AAEUAGOBSA-N 1 0 266.366 0.977 10 0 CCAERO CC(=O)N[C@@H](C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)C(C)C ZINC000638169682 374752007 /nfs/dbraw/zinc/75/20/07/374752007.db2.gz XRAPODCEJQGSPZ-UMSGYPCISA-N 1 0 267.373 0.343 10 0 CCAERO CC(=O)N[C@@H](C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)C(C)C ZINC000638169684 374752478 /nfs/dbraw/zinc/75/24/78/374752478.db2.gz XRAPODCEJQGSPZ-ZDEQEGDKSA-N 1 0 267.373 0.343 10 0 CCAERO COC[C@@]1(C(=O)NCCCc2c[nH]nc2C)CCC[NH2+]1 ZINC000638443663 375048443 /nfs/dbraw/zinc/04/84/43/375048443.db2.gz SCAVYUXMFVUTQH-CQSZACIVSA-N 1 0 280.372 0.536 10 0 CCAERO [NH3+]Cc1cccc2c1N(C(=O)[C@@H]1CNC(=O)C1)CCC2 ZINC000638545037 375135725 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285207124 /nfs/dbraw/zinc/20/71/24/285207124.db2.gz PHZBHKNLPUDVEZ-MWLCHTKSSA-N 1 0 265.361 0.790 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCC(=O)N(C)C ZINC000176231840 285270946 /nfs/dbraw/zinc/27/09/46/285270946.db2.gz PSDMOWRKIMWQTF-LBPRGKRZSA-N 1 0 284.404 0.590 10 0 CCAERO CCN1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C(C)(C)C1=O ZINC000335018177 285301646 /nfs/dbraw/zinc/30/16/46/285301646.db2.gz FBUARTLXTFVQIV-NEPJUHHUSA-N 1 0 281.400 0.973 10 0 CCAERO Cc1nc(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)c[nH]1 ZINC000285806494 388799430 /nfs/dbraw/zinc/79/94/30/388799430.db2.gz OFAIEZYELSEVCN-NEPJUHHUSA-N 1 0 264.329 0.263 10 0 CCAERO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc(C4CC4)n[nH]3)[C@H]2C1 ZINC000285808859 388799763 /nfs/dbraw/zinc/79/97/63/388799763.db2.gz OJUYZUFPBCBPBY-KBPBESRZSA-N 1 0 290.367 0.832 10 0 CCAERO C[C@@H]1C[C@@H]1NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000188977329 388946464 /nfs/dbraw/zinc/94/64/64/388946464.db2.gz XBPWJYSQNWGHRC-WOPDTQHZSA-N 1 0 269.389 0.881 10 0 CCAERO 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C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CNC(=O)C1 ZINC000245838688 131089097 /nfs/dbraw/zinc/08/90/97/131089097.db2.gz JFYPPSFDZKCAFV-OCCSQVGLSA-N 1 0 289.379 0.759 10 0 CCAERO CC[C@H](C)NC(=O)CCNC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000252021852 131132768 /nfs/dbraw/zinc/13/27/68/131132768.db2.gz XMZMHPVYDRPVIG-HBNTYKKESA-N 1 0 255.362 0.535 10 0 CCAERO C[C@H]1CCN(c2ccc(S(N)(=O)=O)cn2)C[C@H]1C[NH3+] ZINC000253194352 131141532 /nfs/dbraw/zinc/14/15/32/131141532.db2.gz PYHWQKQBFSHODN-VHSXEESVSA-N 1 0 284.385 0.150 10 0 CCAERO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2n[nH]c(C(F)(F)F)n2)O1 ZINC000261766205 131167683 /nfs/dbraw/zinc/16/76/83/131167683.db2.gz MCPAZJYKXZUPPM-UHNVWZDZSA-N 1 0 279.222 0.268 10 0 CCAERO [NH3+]C[C@H]1CC[C@@H](C(=O)NC[C@@H](O)c2ccc(F)cc2)O1 ZINC000261897876 131176511 /nfs/dbraw/zinc/17/65/11/131176511.db2.gz WCYTWKQRTVBSTJ-UPJWGTAASA-N 1 0 282.315 0.482 10 0 CCAERO O=C(NCCCOc1ccc(F)cc1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262377225 131215732 /nfs/dbraw/zinc/21/57/32/131215732.db2.gz KUGCYWXGNJPRFD-YPMHNXCESA-N 1 0 282.315 0.434 10 0 CCAERO Cc1ccccc1C1(CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000262483391 131224440 /nfs/dbraw/zinc/22/44/40/131224440.db2.gz IEXOZDFTESOVCH-JSGCOSHPSA-N 1 0 274.364 0.866 10 0 CCAERO Cc1ccc(NCCCNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)nc1 ZINC000262516247 131228355 /nfs/dbraw/zinc/22/83/55/131228355.db2.gz MZFHSPMUFMVMOB-NEPJUHHUSA-N 1 0 278.356 0.031 10 0 CCAERO O=C(Nc1ccc2c(c1)CCCO2)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262557503 131233198 /nfs/dbraw/zinc/23/31/98/131233198.db2.gz VJLAGEJBXITQNK-RYUDHWBXSA-N 1 0 262.309 0.673 10 0 CCAERO CC[C@H]1C[NH2+]CCN1c1nc(OC)cc(OC)n1 ZINC000083393001 135017724 /nfs/dbraw/zinc/01/77/24/135017724.db2.gz FLMJIIHUFCRSEW-VIFPVBQESA-N 1 0 252.318 0.682 10 0 CCAERO O=C1NCC[C@H]1[NH2+]C1CCN(c2ccccn2)CC1 ZINC000658052514 413095753 /nfs/dbraw/zinc/09/57/53/413095753.db2.gz DUTMTMLSSIAGEF-GFCCVEGCSA-N 1 0 260.341 0.529 10 0 CCAERO Cc1ccc(O[C@H](C)C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262123580 143939537 /nfs/dbraw/zinc/93/95/37/143939537.db2.gz GAPBGIXNTKDXKZ-YRGRVCCFSA-N 1 0 278.352 0.459 10 0 CCAERO O=C(Cc1cc(F)ccc1F)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262144429 143941394 /nfs/dbraw/zinc/94/13/94/143941394.db2.gz HJLWFKZXQYUDCL-SKDRFNHKSA-N 1 0 270.279 0.204 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cc2ccccc2oc1=O ZINC000262150804 143942215 /nfs/dbraw/zinc/94/22/15/143942215.db2.gz HTNSHPMEYPIPBC-PWSUYJOCSA-N 1 0 288.303 0.103 10 0 CCAERO Cc1nc(CC[NH3+])cc(N2[C@@H]3CC[C@H]2C[C@@H](O)C3)n1 ZINC000102802289 397406133 /nfs/dbraw/zinc/40/61/33/397406133.db2.gz QLCQAMRYTYNRTC-ITGUQSILSA-N 1 0 262.357 0.778 10 0 CCAERO C[C@H]1CCC[C@H]1NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131289448 397412973 /nfs/dbraw/zinc/41/29/73/397412973.db2.gz AFCHRXYVLDLLFV-NWDGAFQWSA-N 1 0 253.390 0.975 10 0 CCAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)N1CCOCC1 ZINC000134760047 297089165 /nfs/dbraw/zinc/08/91/65/297089165.db2.gz BYPBDFHODGWQTG-CHWSQXEVSA-N 1 0 267.373 0.997 10 0 CCAERO CCc1nc(C)cc(N2CCO[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000385517401 397498793 /nfs/dbraw/zinc/49/87/93/397498793.db2.gz YHOYDANXKBYFNW-GHMZBOCLSA-N 1 0 250.346 0.900 10 0 CCAERO CCCN(CC(F)F)C(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000386872734 397502968 /nfs/dbraw/zinc/50/29/68/397502968.db2.gz BKURRZNRCXLNOC-RKDXNWHRSA-N 1 0 250.289 0.867 10 0 CCAERO CCO[C@@H]1CN(c2ncnc3[nH]ccc32)C[C@H]1C[NH3+] ZINC000650303803 397711034 /nfs/dbraw/zinc/71/10/34/397711034.db2.gz QJWYBTBTUJQURQ-MWLCHTKSSA-N 1 0 261.329 0.758 10 0 CCAERO CCO[C@@H]1C[C@@H](NC(=O)N2CC[NH2+]C[C@H]2C)[C@@]12CCCO2 ZINC000333711513 286261739 /nfs/dbraw/zinc/26/17/39/286261739.db2.gz FNAJCMHTYAASAF-BHPKHCPMSA-N 1 0 297.399 0.716 10 0 CCAERO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C12CCOCC2 ZINC000186412253 286290087 /nfs/dbraw/zinc/29/00/87/286290087.db2.gz NFUOOKGSLMIDJR-JHJVBQTASA-N 1 0 282.384 0.781 10 0 CCAERO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CC1(O)CCCC1 ZINC000408073444 286622367 /nfs/dbraw/zinc/62/23/67/286622367.db2.gz WFBFGRWKVHOBMM-NEPJUHHUSA-N 1 0 290.429 0.742 10 0 CCAERO CC(=O)N[C@@H]1CCCN(C(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000659254867 413358429 /nfs/dbraw/zinc/35/84/29/413358429.db2.gz GYHOVSVKWISBPL-GFCCVEGCSA-N 1 0 279.384 0.775 10 0 CCAERO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000124630380 298132970 /nfs/dbraw/zinc/13/29/70/298132970.db2.gz RJDYGYLCWCVERW-KXNHARMFSA-N 1 0 283.372 0.585 10 0 CCAERO CC(C)(C)n1nnc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000659293949 413382563 /nfs/dbraw/zinc/38/25/63/413382563.db2.gz YNIOTEWVBUYGQB-DTWKUNHWSA-N 1 0 266.349 0.285 10 0 CCAERO CC[C@@H](O)C[NH+]1CCN([C@@H](C)C(=O)N(CC)CC)CC1 ZINC000174086537 286943570 /nfs/dbraw/zinc/94/35/70/286943570.db2.gz NFHONCDZFRFHOY-UONOGXRCSA-N 1 0 285.432 0.632 10 0 CCAERO C[C@@H]1CCC[C@H](CNC(=O)C2([NH3+])CCOCC2)O1 ZINC000659361291 413447730 /nfs/dbraw/zinc/44/77/30/413447730.db2.gz JKYPGMWPKPSSQM-GHMZBOCLSA-N 1 0 256.346 0.568 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)NC(N)=O ZINC000175053719 287224542 /nfs/dbraw/zinc/22/45/42/287224542.db2.gz MOPCCNDGOLFQAV-GHMZBOCLSA-N 1 0 268.361 0.130 10 0 CCAERO C[NH+](C)CCNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000005277384 170081981 /nfs/dbraw/zinc/08/19/81/170081981.db2.gz OGXNBXTZEHCRPR-UHFFFAOYSA-N 1 0 297.380 0.411 10 0 CCAERO C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1cc(C[NH3+])nn1 ZINC000050224251 411677085 /nfs/dbraw/zinc/67/70/85/411677085.db2.gz WXYDSEGGYMGQLR-NXEZZACHSA-N 1 0 251.334 0.526 10 0 CCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000111270978 411702327 /nfs/dbraw/zinc/70/23/27/411702327.db2.gz RAWQGMNWNIKKHM-PSASIEDQSA-N 1 0 275.308 0.812 10 0 CCAERO C[C@@H]1CN(CC[N@@H+]2CC[C@@H](CCO)C2)C[C@@H](C)O1 ZINC000314326670 411754821 /nfs/dbraw/zinc/75/48/21/411754821.db2.gz FNIFHDNVCQLCMM-MCIONIFRSA-N 1 0 256.390 0.800 10 0 CCAERO C[C@@H](NC(=O)C(C)(C)N1CC[NH2+]CC1)c1ccccn1 ZINC000129605194 411719875 /nfs/dbraw/zinc/71/98/75/411719875.db2.gz NKQFFSGLKPTNLX-GFCCVEGCSA-N 1 0 276.384 0.943 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ncccc1N ZINC000132796788 411727101 /nfs/dbraw/zinc/72/71/01/411727101.db2.gz RUMPYZKAHZOWQE-WDEREUQCSA-N 1 0 260.341 0.973 10 0 CCAERO Cn1ncc(NCCC2(C[NH3+])CC2)c(Cl)c1=O ZINC000404680762 411797390 /nfs/dbraw/zinc/79/73/90/411797390.db2.gz KLNLDKSISRPBSH-UHFFFAOYSA-N 1 0 256.737 0.975 10 0 CCAERO CCn1nccc1CC[N@@H+]1CC[C@](O)(c2cn[nH]n2)C1 ZINC000284470999 196063804 /nfs/dbraw/zinc/06/38/04/196063804.db2.gz AHMOTCYPZQPKIN-CYBMUJFWSA-N 1 0 276.344 0.157 10 0 CCAERO OCc1ccc(C[N@@H+]2CC[C@](O)(c3cn[nH]n3)C2)cc1 ZINC000284473146 196064126 /nfs/dbraw/zinc/06/41/26/196064126.db2.gz AKPCEXVWUPPIPT-CQSZACIVSA-N 1 0 274.324 0.391 10 0 CCAERO COC(=O)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000616572033 411841411 /nfs/dbraw/zinc/84/14/11/411841411.db2.gz SVMKLFGPIYJSML-NEPJUHHUSA-N 1 0 280.299 0.642 10 0 CCAERO CCOC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC000616570523 411841539 /nfs/dbraw/zinc/84/15/39/411841539.db2.gz MYPDBMYQYNXEMM-STQMWFEESA-N 1 0 276.336 0.811 10 0 CCAERO C[NH+](C)CCCNC(=O)COc1ccc(C(N)=S)cc1 ZINC000019482402 170810234 /nfs/dbraw/zinc/81/02/34/170810234.db2.gz XPGLMTJYDCCUFP-UHFFFAOYSA-N 1 0 295.408 0.768 10 0 CCAERO Cc1ccc(OC[C@H](O)CN2CC[NH2+]CC2)cc1C ZINC000019668782 170834844 /nfs/dbraw/zinc/83/48/44/170834844.db2.gz WMHWJUAQPLCDID-CQSZACIVSA-N 1 0 264.369 0.948 10 0 CCAERO Cc1nccn1CCC[N@@H+]1CC[C@H]2OCCN[C@H]2C1 ZINC000652341654 412031914 /nfs/dbraw/zinc/03/19/14/412031914.db2.gz BSRKIWNWPZLLAL-UONOGXRCSA-N 1 0 264.373 0.644 10 0 CCAERO [NH3+]CCOc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000020228592 171093442 /nfs/dbraw/zinc/09/34/42/171093442.db2.gz FFLMJNIRSNHNQK-CYBMUJFWSA-N 1 0 264.325 0.933 10 0 CCAERO C[N@@H+]1CCCN(c2cc(C(N)=S)ccn2)CC1 ZINC000020246582 171100360 /nfs/dbraw/zinc/10/03/60/171100360.db2.gz KBSFOSBKVZVGCF-UHFFFAOYSA-N 1 0 250.371 0.858 10 0 CCAERO CC(C)n1nccc1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000020247480 171100643 /nfs/dbraw/zinc/10/06/43/171100643.db2.gz NFDNCQKYSNMMKX-UHFFFAOYSA-N 1 0 273.362 0.026 10 0 CCAERO C[C@H](C(=O)Nc1ccccc1C[NH3+])N1CCC[C@@H]1C(N)=O ZINC000020294563 171135618 /nfs/dbraw/zinc/13/56/18/171135618.db2.gz QNPJGLMRTZREHO-ZWNOBZJWSA-N 1 0 290.367 0.422 10 0 CCAERO CNC(=O)NC(=O)[C@@H](C)NCC[NH+](C(C)C)C(C)C ZINC000020303268 171140156 /nfs/dbraw/zinc/14/01/56/171140156.db2.gz UGYUFOKFCMDHHR-LLVKDONJSA-N 1 0 272.393 0.539 10 0 CCAERO CNC(=O)NC(=O)[C@H](C)NCC(C)(C)C[NH+](C)C ZINC000020303264 171140410 /nfs/dbraw/zinc/14/04/10/171140410.db2.gz KEWUPEBXYVYZJS-VIFPVBQESA-N 1 0 258.366 0.008 10 0 CCAERO COc1ccccc1C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC000020309240 171143291 /nfs/dbraw/zinc/14/32/91/171143291.db2.gz XIQLDGQBZLVTNR-QMMMGPOBSA-N 1 0 251.286 0.368 10 0 CCAERO Cc1ccc(NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c(F)c1 ZINC000020372475 171168818 /nfs/dbraw/zinc/16/88/18/171168818.db2.gz BEUVRPJDOYLTHZ-JTQLQIEISA-N 1 0 288.344 0.835 10 0 CCAERO CNC(=O)NC(=O)[C@@H](C)Oc1ccc([C@@H](C)[NH3+])cc1OC ZINC000020419862 171185005 /nfs/dbraw/zinc/18/50/05/171185005.db2.gz LIWZBZFKFIPONA-RKDXNWHRSA-N 1 0 295.339 0.938 10 0 CCAERO COc1ccc2nc(NC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)sc2c1 ZINC000020434192 171200100 /nfs/dbraw/zinc/20/01/00/171200100.db2.gz VGWADGGAUYKWFS-XCBNKYQSSA-N 1 0 293.348 0.966 10 0 CCAERO CCOc1cc(CNCC[NH2+]CCO)ccc1OCCO ZINC000020968406 171282888 /nfs/dbraw/zinc/28/28/88/171282888.db2.gz CKSSCMPAVLFUPX-UHFFFAOYSA-N 1 0 298.383 0.128 10 0 CCAERO C[C@@H]1CN(CC(=O)Nc2ccc(C[NH3+])cc2)CCO1 ZINC000022153145 171360319 /nfs/dbraw/zinc/36/03/19/171360319.db2.gz QRERXEHELWKWHM-LLVKDONJSA-N 1 0 263.341 0.805 10 0 CCAERO C[C@@H](C(=O)Nc1ccccc1C[NH3+])N1CCN(C)CC1 ZINC000022156279 171362595 /nfs/dbraw/zinc/36/25/95/171362595.db2.gz BNKAWUBDZCPNBV-LBPRGKRZSA-N 1 0 276.384 0.720 10 0 CCAERO NC(=O)C1CCN(S(=O)(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000022211481 171373265 /nfs/dbraw/zinc/37/32/65/171373265.db2.gz XZPGADXFHHWLCQ-UHFFFAOYSA-N 1 0 297.380 0.031 10 0 CCAERO C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)c1cnn(C)c1 ZINC000653089105 412214379 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YNZKPYIBQZNELQ-OLZOCXBDSA-N 1 0 281.400 0.986 10 0 CCAERO C[C@H](CNS(=O)(=O)c1ccc(=O)[nH]c1)[NH+]1CCCCC1 ZINC000038029594 174020348 /nfs/dbraw/zinc/02/03/48/174020348.db2.gz XIAJUZMOEAQUOV-LLVKDONJSA-N 1 0 299.396 0.528 10 0 CCAERO Cc1ccc(OCCN(C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000038031383 174026580 /nfs/dbraw/zinc/02/65/80/174026580.db2.gz IVGQAVJWWCVVDR-UHFFFAOYSA-N 1 0 291.395 0.737 10 0 CCAERO CCN(CCC[NH2+]C[C@@H](O)c1ccco1)S(C)(=O)=O ZINC000038035691 174034060 /nfs/dbraw/zinc/03/40/60/174034060.db2.gz UVNRXDUZADPYFX-LLVKDONJSA-N 1 0 290.385 0.574 10 0 CCAERO CNS(=O)(=O)c1ccc(NC[C@@H](C)[NH+](C)C)cc1 ZINC000038089093 174102351 /nfs/dbraw/zinc/10/23/51/174102351.db2.gz PWFNGDQHIUOCGM-SNVBAGLBSA-N 1 0 271.386 0.957 10 0 CCAERO CC(C)CNC(=O)[C@@H](C)[NH2+]C1CCC(C(N)=O)CC1 ZINC000038092032 174105544 /nfs/dbraw/zinc/10/55/44/174105544.db2.gz NZSVAOXCIKPMQJ-VOMCLLRMSA-N 1 0 269.389 0.781 10 0 CCAERO CC(C)OCCOC[C@@H](O)C[NH2+]CC[C@H]1CCCO1 ZINC000038096670 174111309 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CC(C)[NH2+]C[C@H](O)CCCn1cc(S(C)(=O)=O)cn1 ZINC000725251580 545877107 /nfs/dbraw/zinc/87/71/07/545877107.db2.gz BZOCZZDBPQQBOI-LLVKDONJSA-N 1 0 289.401 0.426 10 0 CCAERO C[C@@H]1CC[C@@H]([NH3+])[C@@H](n2cc(S(C)(=O)=O)cn2)C1 ZINC000725253832 545878594 /nfs/dbraw/zinc/87/85/94/545878594.db2.gz ZVCXIVOVQFOLQL-IEBDPFPHSA-N 1 0 257.359 0.975 10 0 CCAERO [NH3+][C@@H](CNC(=O)NC1CCCC1)C1CCOCC1 ZINC000725255200 545880551 /nfs/dbraw/zinc/88/05/51/545880551.db2.gz WDOYJJPPQBVLLQ-LBPRGKRZSA-N 1 0 255.362 0.982 10 0 CCAERO Cn1nccc1-c1c(C[NH3+])nnn1CC(F)(F)F ZINC000725257691 545879650 /nfs/dbraw/zinc/87/96/50/545879650.db2.gz UQSKYBKPJWKGSC-UHFFFAOYSA-N 1 0 260.223 0.700 10 0 CCAERO CC[N@H+](CCO)[C@@H]1CC(=O)N[C@H](C(F)(F)F)C1 ZINC000725262998 545883878 /nfs/dbraw/zinc/88/38/78/545883878.db2.gz AAHUJZUPWXSGJT-YUMQZZPRSA-N 1 0 254.252 0.510 10 0 CCAERO O=C(Nc1ccnn1C1C[NH2+]C1)c1nnc(Cl)s1 ZINC000725258608 545882502 /nfs/dbraw/zinc/88/25/02/545882502.db2.gz VCRYLEILTCWZIB-UHFFFAOYSA-N 1 0 284.732 0.785 10 0 CCAERO O=C1C[C@@H]([NH+]2CCC(CO)CC2)C[C@@H](C(F)(F)F)N1 ZINC000725263105 545883674 /nfs/dbraw/zinc/88/36/74/545883674.db2.gz MWLNGRYAUCGJMF-UWVGGRQHSA-N 1 0 280.290 0.900 10 0 CCAERO CCCS(=O)(=O)N[C@@H]1CCOC12CC[NH2+]CC2 ZINC000725269192 545886614 /nfs/dbraw/zinc/88/66/14/545886614.db2.gz FKEIROURKMMAEM-SNVBAGLBSA-N 1 0 262.375 0.227 10 0 CCAERO OCc1cn([C@@H]2CCOC3(CC[NH2+]CC3)C2)nn1 ZINC000725272430 545888152 /nfs/dbraw/zinc/88/81/52/545888152.db2.gz MMPFOZFDPVMEIU-LLVKDONJSA-N 1 0 252.318 0.244 10 0 CCAERO CC(C)[C@@H](C)C(=O)N1CC(N2C[C@H]([NH3+])CC2=O)C1 ZINC000725271769 545888622 /nfs/dbraw/zinc/88/86/22/545888622.db2.gz CHPZAFSAZWZNIB-NXEZZACHSA-N 1 0 253.346 0.049 10 0 CCAERO C[C@H](O)c1cn([C@H]2CCOC3(CC[NH2+]CC3)C2)nn1 ZINC000725272592 545888714 /nfs/dbraw/zinc/88/87/14/545888714.db2.gz QOOHVNPCBYKVAY-QWRGUYRKSA-N 1 0 266.345 0.805 10 0 CCAERO C[C@@H](NC(=O)C[NH2+]C1CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000037390291 544421944 /nfs/dbraw/zinc/42/19/44/544421944.db2.gz 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[NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000227375959 544834736 /nfs/dbraw/zinc/83/47/36/544834736.db2.gz VHAURKOEOVBXDR-BFHYXJOUSA-N 1 0 281.400 0.295 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H](C)C(=O)N1CCCC1 ZINC000228123124 544841657 /nfs/dbraw/zinc/84/16/57/544841657.db2.gz BOHQEBOOYXBSPU-QWRGUYRKSA-N 1 0 255.362 0.487 10 0 CCAERO CC(=O)N[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000236782369 544886771 /nfs/dbraw/zinc/88/67/71/544886771.db2.gz SYWPUBGAKULPKH-HNGCFSAESA-N 1 0 267.373 0.546 10 0 CCAERO CC[C@H]1CN(C(=O)NC2CCOCC2)CC[N@@H+]1C[C@H](C)O ZINC000247356737 544911728 /nfs/dbraw/zinc/91/17/28/544911728.db2.gz ILWMUBORQRMBLH-JSGCOSHPSA-N 1 0 299.415 0.652 10 0 CCAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1nccn1CC(F)(F)F ZINC000262105549 544940434 /nfs/dbraw/zinc/94/04/34/544940434.db2.gz JLPSUQBRSXYPOJ-BDAKNGLRSA-N 1 0 278.278 0.115 10 0 CCAERO O=C(Cc1ccc2c(c1)CCC2)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262119345 544940718 /nfs/dbraw/zinc/94/07/18/544940718.db2.gz 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ZINC000319067213 545015489 /nfs/dbraw/zinc/01/54/89/545015489.db2.gz MUMKOSGQEVZTIU-NFAWXSAZSA-N 1 0 283.416 0.277 10 0 CCAERO O=C(N[C@@H]1CCCNC1=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000333487699 545039641 /nfs/dbraw/zinc/03/96/41/545039641.db2.gz UJJWSMXHSBRGKW-OLZOCXBDSA-N 1 0 279.384 0.788 10 0 CCAERO C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000333576603 545040400 /nfs/dbraw/zinc/04/04/00/545040400.db2.gz NBQFVGQSGWYLBQ-YNEHKIRRSA-N 1 0 267.373 0.947 10 0 CCAERO CC(C)n1[nH]cnc1=NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000333597675 545040550 /nfs/dbraw/zinc/04/05/50/545040550.db2.gz PGTZPGQMQFRYRV-VXGBXAGGSA-N 1 0 292.387 0.981 10 0 CCAERO COCCN1CCN(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)C[C@H]1C ZINC000333677257 545041729 /nfs/dbraw/zinc/04/17/29/545041729.db2.gz OFTGXDOVVIMJLQ-HZSPNIEDSA-N 1 0 298.431 0.489 10 0 CCAERO C[C@@H](NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCCO1 ZINC000333726184 545042487 /nfs/dbraw/zinc/04/24/87/545042487.db2.gz HDAFAOVJOMTIHZ-WYUUTHIRSA-N 1 0 253.346 0.415 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C[NH2+][C@H](CCn1cc(Br)cn1)C(N)=O ZINC000062536360 637173413 /nfs/dbraw/zinc/17/34/13/637173413.db2.gz GDGBELLMCIPINF-SSDOTTSWSA-N 1 0 261.123 0.109 10 0 CCAERO CC[NH2+][C@H](CCn1cc(Br)cn1)C(N)=O ZINC000062536278 637173802 /nfs/dbraw/zinc/17/38/02/637173802.db2.gz XXQBXYLCJZJFSS-MRVPVSSYSA-N 1 0 275.150 0.499 10 0 CCAERO CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCOCC2)C1 ZINC000062649815 637177308 /nfs/dbraw/zinc/17/73/08/637177308.db2.gz USIKOHNMTRRLTL-GFCCVEGCSA-N 1 0 255.362 0.759 10 0 CCAERO CC1CCC(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000063145323 637203301 /nfs/dbraw/zinc/20/33/01/637203301.db2.gz XODNRMLWYKMRPL-KIDURHIOSA-N 1 0 261.387 0.560 10 0 CCAERO [NH3+]C[C@H]1CCCC[C@@H]1C(=O)NCC(=O)NC1CC1 ZINC000089387864 637629765 /nfs/dbraw/zinc/62/97/65/637629765.db2.gz FSVWCYCNXGFDMA-KOLCDFICSA-N 1 0 253.346 0.146 10 0 CCAERO CC1(C)C(=O)NCCN1C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089462454 637715021 /nfs/dbraw/zinc/71/50/21/637715021.db2.gz PPUMDWMEKWLVLO-UWVGGRQHSA-N 1 0 253.346 0.098 10 0 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272.389 0.873 10 0 CCAERO CCN(CC(=O)NC)C(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000089388195 649654782 /nfs/dbraw/zinc/65/47/82/649654782.db2.gz VQHMNFVKWCKCNL-QWRGUYRKSA-N 1 0 255.362 0.346 10 0 CCAERO COC(=O)CCCNC(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089395438 649656163 /nfs/dbraw/zinc/65/61/63/649656163.db2.gz OPWHQPPOQQELKK-WDEREUQCSA-N 1 0 256.346 0.821 10 0 CCAERO COC(=O)[C@@H]1CCC[N@H+](CC[C@H]2CCOC2=O)C1 ZINC000246372910 649671358 /nfs/dbraw/zinc/67/13/58/649671358.db2.gz IFBFOJNXCZXOAT-WDEREUQCSA-N 1 0 255.314 0.825 10 0 CCAERO CC[C@@H]1CN(CC[C@H]2CCOC2=O)CC[N@@H+]1C[C@H](C)O ZINC000246412187 649673893 /nfs/dbraw/zinc/67/38/93/649673893.db2.gz LXRRBYISIZJAKW-MELADBBJSA-N 1 0 284.400 0.717 10 0 CCAERO C(c1nc([C@@H]2CN3CCC[C@@H]3CO2)no1)[C@@H]1CC[NH2+]C1 ZINC000091686423 649709485 /nfs/dbraw/zinc/70/94/85/649709485.db2.gz CCAGYSYQIGMLQB-TUAOUCFPSA-N 1 0 278.356 0.757 10 0 CCAERO C1C[NH2+]C[C@H](c2nc([C@H]3CN4CCN3CC4)no2)C1 ZINC000094506361 649743894 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C[NH+](C)CC1(O)CC[NH+](Cc2ccoc2C(=O)[O-])CC1 ZINC000710605872 977515645 /nfs/dbraw/zinc/51/56/45/977515645.db2.gz GPZAGKNJRCKMIX-UHFFFAOYSA-N 1 0 282.340 0.866 10 0 CCAERO COC[C@H](C)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000124371038 187134785 /nfs/dbraw/zinc/13/47/85/187134785.db2.gz VGYHWIPKXRSCMQ-LBPRGKRZSA-N 1 0 295.383 0.921 10 0 CCAERO CC(C)n1cnnc1CN1C[C@@H]2CC[C@H](CC1=O)[NH2+]2 ZINC000095517160 185002426 /nfs/dbraw/zinc/00/24/26/185002426.db2.gz WMKSRJODODYXIJ-MNOVXSKESA-N 1 0 263.345 0.712 10 0 CCAERO [NH3+][C@H]1CC[C@@H](C(=O)N2CCN(Cc3cccnc3)CC2)C1 ZINC000091543696 349466729 /nfs/dbraw/zinc/46/67/29/349466729.db2.gz XTYIKLPVRBNZQN-CABCVRRESA-N 1 0 288.395 0.853 10 0 CCAERO Nc1cc(CC[NH3+])cc(I)n1 ZINC000095767989 185027317 /nfs/dbraw/zinc/02/73/17/185027317.db2.gz SSNRYDRIWLCBBK-UHFFFAOYSA-N 1 0 263.082 0.770 10 0 CCAERO CO[C@@H]1CO[C@@]2(CC[N@H+](Cc3cncn3C)C2)C1 ZINC000096072208 185087773 /nfs/dbraw/zinc/08/77/73/185087773.db2.gz ALMMVBKHDNYECS-STQMWFEESA-N 1 0 251.330 0.800 10 0 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SNZJWIVAPBIIOD-LLVKDONJSA-N 1 0 284.385 0.514 10 0 CCAERO Cc1ccnc(S(=O)(=O)CC2CC[NH2+]CC2)n1 ZINC000095069246 349586180 /nfs/dbraw/zinc/58/61/80/349586180.db2.gz JTOLMVQNCXJEHR-UHFFFAOYSA-N 1 0 255.343 0.558 10 0 CCAERO CN([C@H]1CCC[NH2+]C1)S(=O)(=O)Cc1ccncc1 ZINC000095070629 349587324 /nfs/dbraw/zinc/58/73/24/349587324.db2.gz FWOSVJZSNLLAPY-LBPRGKRZSA-N 1 0 269.370 0.595 10 0 CCAERO C[NH+](C)C[C@H]1CN(C[C@H]2CC3(CCC3)C(=O)O2)CCO1 ZINC000253351060 282140082 /nfs/dbraw/zinc/14/00/82/282140082.db2.gz OFBBCLRNHQJBLM-OLZOCXBDSA-N 1 0 282.384 0.735 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000262269734 295673516 /nfs/dbraw/zinc/67/35/16/295673516.db2.gz MUUNSLZXXVLCTD-PYJNHQTQSA-N 1 0 278.327 0.626 10 0 CCAERO CC(C)[C@H]1CN([C@@H]2CCS(=O)(=O)C2)[C@@H](C)C[NH2+]1 ZINC000083441188 178453405 /nfs/dbraw/zinc/45/34/05/178453405.db2.gz BFSZZWPHZQUVKI-QJPTWQEYSA-N 1 0 260.403 0.492 10 0 CCAERO CC(C)[C@@H]1C[NH2+][C@H](C)CN1[C@@H]1CCS(=O)(=O)C1 ZINC000083441209 178453444 /nfs/dbraw/zinc/45/34/44/178453444.db2.gz MIWOWRYMNYGJTD-UTUOFQBUSA-N 1 0 260.403 0.492 10 0 CCAERO O=C1CC[N@H+](C[C@H](O)COCc2ccccc2F)CCN1 ZINC000103231036 349693935 /nfs/dbraw/zinc/69/39/35/349693935.db2.gz NHXSBVYJPCOLHW-ZDUSSCGKSA-N 1 0 296.342 0.525 10 0 CCAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)NC(C)(C)C ZINC000103285569 349696501 /nfs/dbraw/zinc/69/65/01/349696501.db2.gz DCZDMRUHECGRHO-NXEZZACHSA-N 1 0 255.362 0.487 10 0 CCAERO CCCNC(=O)C[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000105802696 349724702 /nfs/dbraw/zinc/72/47/02/349724702.db2.gz HAMAZCQJUKYDLK-ZDUSSCGKSA-N 1 0 291.399 0.903 10 0 CCAERO CCOCCCNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000104778465 349717960 /nfs/dbraw/zinc/71/79/60/349717960.db2.gz XLXDYMNFRBGYHJ-LLVKDONJSA-N 1 0 259.350 0.043 10 0 CCAERO COCCn1cc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)cn1 ZINC000111266838 349768114 /nfs/dbraw/zinc/76/81/14/349768114.db2.gz AMRFKWCHPBVKIU-MWLCHTKSSA-N 1 0 252.318 0.324 10 0 CCAERO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCc3ncnn3C2)C1 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SZTATIUJLFKKCV-GFCCVEGCSA-N 1 0 299.415 0.328 10 0 CCAERO C[NH+](C)C[C@H]1CN(C(=O)c2ccc3nncn3c2)CCO1 ZINC000116791271 349873266 /nfs/dbraw/zinc/87/32/66/349873266.db2.gz NFGCXGNVCCBCOK-LBPRGKRZSA-N 1 0 289.339 0.132 10 0 CCAERO Cn1cc([C@H]2CC[N@H+](CCN3CCCC3=O)C2)cn1 ZINC000116322868 349867324 /nfs/dbraw/zinc/86/73/24/349867324.db2.gz ZLLDUOJCGXZMQD-LBPRGKRZSA-N 1 0 262.357 0.832 10 0 CCAERO CCCCOCCNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117040229 349879580 /nfs/dbraw/zinc/87/95/80/349879580.db2.gz RSFWCIKQFVDZEZ-CYBMUJFWSA-N 1 0 287.404 0.775 10 0 CCAERO CCOCCN1CCN(C(=O)C[NH+](CC)CC)C[C@@H]1C ZINC000117275902 349882547 /nfs/dbraw/zinc/88/25/47/349882547.db2.gz GCZVVIIAVVDSQZ-AWEZNQCLSA-N 1 0 285.432 0.897 10 0 CCAERO C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@H]1c1ccc(C(N)=O)cc1 ZINC000118409709 349902744 /nfs/dbraw/zinc/90/27/44/349902744.db2.gz ATKQBXPFBHNUDR-DDTOSNHZSA-N 1 0 287.363 0.709 10 0 CCAERO CCOC(=O)CCCN1CC[NH+](C[C@@H](O)CC)CC1 ZINC000118859289 349909220 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C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)C1([NH3+])CCOCC1 ZINC000132280570 350302843 /nfs/dbraw/zinc/30/28/43/350302843.db2.gz ZNLMAECVIXDORZ-CHWSQXEVSA-N 1 0 281.400 0.580 10 0 CCAERO Cn1cc(C[NH3+])c(N2C(=O)c3ccccc3C2=O)n1 ZINC000131886307 350290609 /nfs/dbraw/zinc/29/06/09/350290609.db2.gz IJEOKYUWANGLDR-UHFFFAOYSA-N 1 0 256.265 0.679 10 0 CCAERO CCOC(=O)c1cnc(N2CCN(C)C[C@@H]2C[NH3+])nc1C ZINC000134318325 350360796 /nfs/dbraw/zinc/36/07/96/350360796.db2.gz JIGXSPLVTQFWGV-NSHDSACASA-N 1 0 293.371 0.041 10 0 CCAERO CCN1CCO[C@@H](C[NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC000134436905 350364677 /nfs/dbraw/zinc/36/46/77/350364677.db2.gz BFAKXLSLZDWBDG-AWEZNQCLSA-N 1 0 277.368 0.596 10 0 CCAERO [NH3+]C1CCC(C(=O)NCCCn2cccn2)CC1 ZINC000134450400 350364705 /nfs/dbraw/zinc/36/47/05/350364705.db2.gz NIIATOZMDRAMRP-UHFFFAOYSA-N 1 0 250.346 0.907 10 0 CCAERO CN(Cc1nccn1C)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000133280823 350330910 /nfs/dbraw/zinc/33/09/10/350330910.db2.gz BIPPCTOJJCKGRP-CYBMUJFWSA-N 1 0 250.346 0.911 10 0 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QUICNJMNPNNIIX-UHFFFAOYSA-N 1 0 265.357 0.904 10 0 CCAERO CN([C@@H]1CC[N@H+](C)C1)S(=O)(=O)c1ccc(N)cc1 ZINC000149341568 350477557 /nfs/dbraw/zinc/47/75/57/350477557.db2.gz NBAROLKHNHWARQ-LLVKDONJSA-N 1 0 269.370 0.593 10 0 CCAERO C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@H]1CNC(=O)C1 ZINC000107260730 186165069 /nfs/dbraw/zinc/16/50/69/186165069.db2.gz GPYCZGWKWJDZII-GFCCVEGCSA-N 1 0 290.367 0.108 10 0 CCAERO C[C@H]1CC[C@@H](C(=O)N(C)CCCN2CC[NH+](C)CC2)O1 ZINC000153873051 350565630 /nfs/dbraw/zinc/56/56/30/350565630.db2.gz USJVSPLXLUVNDT-KBPBESRZSA-N 1 0 283.416 0.650 10 0 CCAERO CCC[C@@H](C(=O)N[C@H]1CCN(C(=O)NCC)C1)[NH+](C)C ZINC000154909709 350603243 /nfs/dbraw/zinc/60/32/43/350603243.db2.gz CBUCJBFMJKGVMB-RYUDHWBXSA-N 1 0 284.404 0.637 10 0 CCAERO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C)C(=O)C1 ZINC000156735737 350634613 /nfs/dbraw/zinc/63/46/13/350634613.db2.gz IBRXNZBZGZOLHT-GFCCVEGCSA-N 1 0 267.373 0.550 10 0 CCAERO COC[C@@H](C)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000110865163 186329422 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CCAERO C[NH+](C)C[C@H]1CN(C(=O)c2c[nH]nc2C2CC2)CCO1 ZINC000190443500 130105032 /nfs/dbraw/zinc/10/50/32/130105032.db2.gz DNAQKALZJCRBIU-NSHDSACASA-N 1 0 278.356 0.690 10 0 CCAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN(S(N)(=O)=O)C1 ZINC000190624797 130127525 /nfs/dbraw/zinc/12/75/25/130127525.db2.gz YLWGKGADVUOZBW-GFCCVEGCSA-N 1 0 284.385 0.039 10 0 CCAERO Cc1nccn1C[C@H](C)CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261628742 131157486 /nfs/dbraw/zinc/15/74/86/131157486.db2.gz CTBDLFJVWLHLKF-RTXFEEFZSA-N 1 0 280.372 0.450 10 0 CCAERO C[C@@H]1C[C@H]1CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261962907 131179921 /nfs/dbraw/zinc/17/99/21/131179921.db2.gz PTMGPRBMNSDXQL-DNIRFERGSA-N 1 0 262.357 0.495 10 0 CCAERO C[C@@H]1COC[C@H](C)N1C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262267694 131207070 /nfs/dbraw/zinc/20/70/70/131207070.db2.gz MRISZXUTLODRJN-WVWOOGAGSA-N 1 0 292.383 0.359 10 0 CCAERO Cc1csc(CCCCNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)n1 ZINC000262548300 131232462 /nfs/dbraw/zinc/23/24/62/131232462.db2.gz SOJFHYMCGGZUGO-MNOVXSKESA-N 1 0 283.397 0.613 10 0 CCAERO CCc1nnc(CN2CC[NH2+]C[C@H]2C(C)C)n1C ZINC000530227934 285576520 /nfs/dbraw/zinc/57/65/20/285576520.db2.gz KBZZBJPLJIDYEN-NSHDSACASA-N 1 0 251.378 0.807 10 0 CCAERO CC(C)C[C@@H]([NH3+])C(=O)Nc1ccc(CS(N)(=O)=O)cc1 ZINC000037041433 397380126 /nfs/dbraw/zinc/38/01/26/397380126.db2.gz ZKSPMQXCXQMSMP-GFCCVEGCSA-N 1 0 299.396 0.787 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cnn(-c2ccccc2)c1 ZINC000262113120 143938609 /nfs/dbraw/zinc/93/86/09/143938609.db2.gz FMRCJRALMPEQMT-SMDDNHRTSA-N 1 0 286.335 0.182 10 0 CCAERO O=C(CCc1ccccc1Cl)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262140328 143941044 /nfs/dbraw/zinc/94/10/44/143941044.db2.gz HBZSZNQRBWEQGZ-AAEUAGOBSA-N 1 0 282.771 0.969 10 0 CCAERO O=C(CN1C(=O)c2ccccc2C1=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368194199 144211438 /nfs/dbraw/zinc/21/14/38/144211438.db2.gz PLUQZNMARCPLST-GXFFZTMASA-N 1 0 299.330 0.103 10 0 CCAERO CC[N@H+](CCCO)[C@@H]1CCN(c2ccn(C)n2)C1=O ZINC000368432766 144224625 /nfs/dbraw/zinc/22/46/25/144224625.db2.gz FNTLKKYSBSOIEG-LLVKDONJSA-N 1 0 266.345 0.230 10 0 CCAERO C[C@@H]1C[C@@H](CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)CCO1 ZINC000371432699 144331329 /nfs/dbraw/zinc/33/13/29/144331329.db2.gz KXDBAMAZSXHLLV-RDBSUJKOSA-N 1 0 299.415 0.774 10 0 CCAERO CCc1nc(C)cc(N2CCO[C@H]([C@H](C)[NH3+])C2)n1 ZINC000385517405 397498893 /nfs/dbraw/zinc/49/88/93/397498893.db2.gz YHOYDANXKBYFNW-QWRGUYRKSA-N 1 0 250.346 0.900 10 0 CCAERO C[N@@H+]1CCO[C@H]2CN(c3ncnc(N)c3Cl)C[C@@H]21 ZINC000408394375 397523734 /nfs/dbraw/zinc/52/37/34/397523734.db2.gz PRJMSNQIBAGTHY-YUMQZZPRSA-N 1 0 269.736 0.231 10 0 CCAERO Cc1ccc(N2C(=O)C[C@@H](N3CC[NH2+]CC3)C2=O)c(C)c1 ZINC000137476444 292127010 /nfs/dbraw/zinc/12/70/10/292127010.db2.gz CICOSCSJOREHLW-CQSZACIVSA-N 1 0 287.363 0.841 10 0 CCAERO Cc1ccc(N2CCC[C@H](N[C@@H]3CC[NH2+]C3)C2)nn1 ZINC000333249898 292133923 /nfs/dbraw/zinc/13/39/23/292133923.db2.gz GNELXOKFOGVHPX-OLZOCXBDSA-N 1 0 261.373 0.705 10 0 CCAERO COc1cc(C)cc(C)c1S(=O)(=O)N[C@@H]1CC[NH2+]C1 ZINC000262763398 286209576 /nfs/dbraw/zinc/20/95/76/286209576.db2.gz KGDCBTTZJHGHGC-LLVKDONJSA-N 1 0 284.381 0.952 10 0 CCAERO C[C@H]1CCCC[C@@H]1NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333883473 299775360 /nfs/dbraw/zinc/77/53/60/299775360.db2.gz FDZAMGQLVBGROC-BJDJZHNGSA-N 1 0 255.362 0.539 10 0 CCAERO COC[C@]1(C(=O)N2CCSC[C@@H]2C)CCC[NH2+]1 ZINC000659248567 413352256 /nfs/dbraw/zinc/35/22/56/413352256.db2.gz CDXDCWAOVZFQJS-JQWIXIFHSA-N 1 0 258.387 0.719 10 0 CCAERO C[C@@H](Cn1cccn1)[NH2+][C@H]1COC[C@H]1n1ccnn1 ZINC000328944997 286899885 /nfs/dbraw/zinc/89/98/85/286899885.db2.gz LWSMZPVSARJRKW-SDDRHHMPSA-N 1 0 262.317 0.093 10 0 CCAERO CCS(=O)(=O)C1(CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000659380023 413460925 /nfs/dbraw/zinc/46/09/25/413460925.db2.gz VJDZQHTWIQUCGC-WDEREUQCSA-N 1 0 288.413 0.445 10 0 CCAERO CC[C@@H]1CCCC[C@H]1NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333940204 287044404 /nfs/dbraw/zinc/04/44/04/287044404.db2.gz NVHURQLYZLJUDO-NDBYEHHHSA-N 1 0 269.389 0.929 10 0 CCAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H]2CCCO2)CC1 ZINC000176874872 287086045 /nfs/dbraw/zinc/08/60/45/287086045.db2.gz UQAMEEBUPGWMDO-TZMCWYRMSA-N 1 0 284.400 0.717 10 0 CCAERO C[C@@H]1C(=O)NCCC[N@H+]1CCC(=O)NC1CCCC1 ZINC000189266605 287179685 /nfs/dbraw/zinc/17/96/85/287179685.db2.gz NGZPRZVGPHPJEL-LLVKDONJSA-N 1 0 267.373 0.646 10 0 CCAERO NS(=O)(=O)CCC[NH2+][C@H]1CCc2c1cccc2O ZINC000045068547 411635967 /nfs/dbraw/zinc/63/59/67/411635967.db2.gz QMOVSEXEOBGGCT-NSHDSACASA-N 1 0 270.354 0.648 10 0 CCAERO C[C@H]1CCCC[C@H]1NC(=O)Cn1cc(C[NH3+])nn1 ZINC000050224712 411677297 /nfs/dbraw/zinc/67/72/97/411677297.db2.gz WHLVURHOWVUCTB-GXSJLCMTSA-N 1 0 251.334 0.432 10 0 CCAERO CC1CCC(N(C)C(=O)Cn2cc(C[NH3+])nn2)CC1 ZINC000050224716 411677477 /nfs/dbraw/zinc/67/74/77/411677477.db2.gz XMEZMUFQEAPEQD-UHFFFAOYSA-N 1 0 265.361 0.774 10 0 CCAERO C[C@@H](NC(=O)[C@@H]1CC[NH2+]C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000062113112 411687197 /nfs/dbraw/zinc/68/71/97/411687197.db2.gz WLSLKQGWNWUAMF-PSASIEDQSA-N 1 0 274.324 0.643 10 0 CCAERO O=C(Nc1ccc2c(c1)NC(=O)CO2)[C@@H]1CC[NH2+]C1 ZINC000062115928 411687400 /nfs/dbraw/zinc/68/74/00/411687400.db2.gz IRILDQITPLJAAP-MRVPVSSYSA-N 1 0 261.281 0.566 10 0 CCAERO O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000070252869 411691894 /nfs/dbraw/zinc/69/18/94/411691894.db2.gz DUDHQZSHFWUUOL-UTUOFQBUSA-N 1 0 252.358 0.796 10 0 CCAERO CC(=O)N[C@H]1CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000133675658 411730161 /nfs/dbraw/zinc/73/01/61/411730161.db2.gz FGNORLRUFCFGPV-WCQYABFASA-N 1 0 253.346 0.256 10 0 CCAERO C[C@H](NC(=O)[C@H]1CCC[C@@H]1C[NH3+])c1cnn(C)c1 ZINC000305314726 411744022 /nfs/dbraw/zinc/74/40/22/411744022.db2.gz DADNKGPSLVGRFY-UMNHJUIQSA-N 1 0 250.346 0.972 10 0 CCAERO CC[N@H+](C)C[C@H](O)CN1CCO[C@H]2CCCC[C@H]21 ZINC000311147095 411749820 /nfs/dbraw/zinc/74/98/20/411749820.db2.gz MIMLQLQDGJTKCM-MJBXVCDLSA-N 1 0 256.390 0.942 10 0 CCAERO CC(C)(C(=O)Nc1ccc(CCO)cc1)N1CC[NH2+]CC1 ZINC000129690040 411720057 /nfs/dbraw/zinc/72/00/57/411720057.db2.gz YZYUJJDRYZWSTQ-UHFFFAOYSA-N 1 0 291.395 0.844 10 0 CCAERO FC(F)(F)COCCN1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404078256 411791218 /nfs/dbraw/zinc/79/12/18/411791218.db2.gz OCGWONAHPHKXQZ-NXEZZACHSA-N 1 0 268.279 0.628 10 0 CCAERO Cc1cnn(CCN2CC[C@@H]3OCC[NH2+][C@@H]3C2)c1 ZINC000404288954 411795567 /nfs/dbraw/zinc/79/55/67/411795567.db2.gz ZHVDCNCFLANIPA-OLZOCXBDSA-N 1 0 250.346 0.254 10 0 CCAERO CCOc1cc(N2C[C@@H](C[NH3+])[C@H](OCC)C2)ncn1 ZINC000405554515 411803214 /nfs/dbraw/zinc/80/32/14/411803214.db2.gz AJJQRMNTMUPDGF-GHMZBOCLSA-N 1 0 266.345 0.675 10 0 CCAERO [NH3+]CCS[C@H]1CC(=O)N(c2ccc(O)cc2)C1=O ZINC000016900377 170714226 /nfs/dbraw/zinc/71/42/26/170714226.db2.gz HDWRBNJCEQGFNW-JTQLQIEISA-N 1 0 266.322 0.716 10 0 CCAERO COc1ccc(CC[NH2+]CCN2CCNC2=O)cc1OC ZINC000020040450 170975878 /nfs/dbraw/zinc/97/58/78/170975878.db2.gz YTXJWRGRLMPHHZ-UHFFFAOYSA-N 1 0 293.367 0.861 10 0 CCAERO Cc1cccc(NS(=O)(=O)N2CC[NH2+]CC2)c1C ZINC000020247768 171100775 /nfs/dbraw/zinc/10/07/75/171100775.db2.gz AKCVACYLTNUHNL-UHFFFAOYSA-N 1 0 269.370 0.865 10 0 CCAERO CCN(CC)S(=O)(=O)NCC[C@@H]1CCCC[NH2+]1 ZINC000020255724 171110181 /nfs/dbraw/zinc/11/01/81/171110181.db2.gz SRIUALIJODNPQA-NSHDSACASA-N 1 0 263.407 0.695 10 0 CCAERO COc1ccc(CC[NH2+][C@H](C)C(=O)NC(N)=O)cc1OC ZINC000020309172 171143581 /nfs/dbraw/zinc/14/35/81/171143581.db2.gz PGTGTHDIWPBOEO-SECBINFHSA-N 1 0 295.339 0.419 10 0 CCAERO C[C@@H]([NH2+][C@H]1CN2CCC1CC2)C(=O)NC(C)(C)C ZINC000020358424 171157542 /nfs/dbraw/zinc/15/75/42/171157542.db2.gz XJTKQPKKOAXTNT-PWSUYJOCSA-N 1 0 253.390 0.973 10 0 CCAERO C[C@@H](Oc1ccccc1[C@H](C)[NH3+])C(=O)NC(N)=O ZINC000020419457 171184191 /nfs/dbraw/zinc/18/41/91/171184191.db2.gz ROHZDSHJHORGCG-JGVFFNPUSA-N 1 0 251.286 0.669 10 0 CCAERO O=C(Nc1cccc2cccnc21)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000020433937 171199424 /nfs/dbraw/zinc/19/94/24/171199424.db2.gz BSZXYYMHZJICSA-PWSUYJOCSA-N 1 0 257.293 0.896 10 0 CCAERO O=C(Nc1ccc(F)c(F)c1F)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000020434051 171199512 /nfs/dbraw/zinc/19/95/12/171199512.db2.gz HBRBQQRKLJLNEK-XRGYYRRGSA-N 1 0 260.215 0.765 10 0 CCAERO C[C@H]1[C@H](NC(=O)CN2CC[NH2+]CC2)CCC[C@@H]1C ZINC000020521342 171234696 /nfs/dbraw/zinc/23/46/96/171234696.db2.gz GUHQMNZBPXISEL-YNEHKIRRSA-N 1 0 253.390 0.833 10 0 CCAERO OCC[NH2+]CCNCc1ccc2c(c1)OCCO2 ZINC000020876140 171277716 /nfs/dbraw/zinc/27/77/16/171277716.db2.gz JXEYXEFYKRPZJO-UHFFFAOYSA-N 1 0 252.314 0.129 10 0 CCAERO COCCNS(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000021500637 171305059 /nfs/dbraw/zinc/30/50/59/171305059.db2.gz UQHJWVJVPOECIC-UHFFFAOYSA-N 1 0 258.343 0.211 10 0 CCAERO C[C@@H]([NH3+])c1cccc(S(=O)(=O)N2CCC(O)CC2)c1 ZINC000021808500 171328205 /nfs/dbraw/zinc/32/82/05/171328205.db2.gz OTPILQAPMBBSLJ-SNVBAGLBSA-N 1 0 284.381 0.852 10 0 CCAERO NC(=O)[C@H]1CCCN(CC(=O)Nc2ccccc2C[NH3+])C1 ZINC000022173413 171369214 /nfs/dbraw/zinc/36/92/14/171369214.db2.gz NNXSVIZOGYQGLD-LBPRGKRZSA-N 1 0 290.367 0.281 10 0 CCAERO C[C@H](O)CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653065707 412207440 /nfs/dbraw/zinc/20/74/40/412207440.db2.gz QCVREZNGUXKGOJ-XLPZGREQSA-N 1 0 254.252 0.271 10 0 CCAERO O=C(NC[C@H]1CCC[C@@H]1O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653082562 412211582 /nfs/dbraw/zinc/21/15/82/412211582.db2.gz ZICVYGMOPQXSOD-KYXWUPHJSA-N 1 0 280.290 0.662 10 0 CCAERO CC(C)O[C@H]1CCCN(C(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000653198630 412257734 /nfs/dbraw/zinc/25/77/34/412257734.db2.gz FZVTVPAVMQFLIJ-STQMWFEESA-N 1 0 270.373 0.638 10 0 CCAERO COC(=O)C1CCN(C(=O)CSC(N)=[NH2+])CC1 ZINC000029334729 171594595 /nfs/dbraw/zinc/59/45/95/171594595.db2.gz XATSJEGYMXGZPC-UHFFFAOYSA-N 1 0 259.331 0.025 10 0 CCAERO CN(C[C@@H]1CCOC1)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653100036 412218340 /nfs/dbraw/zinc/21/83/40/412218340.db2.gz GMCGWLNPKZJMBE-IVZWLZJFSA-N 1 0 280.290 0.879 10 0 CCAERO O=C(NCCCn1ccnn1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653150898 412244267 /nfs/dbraw/zinc/24/42/67/412244267.db2.gz RQAFBYCGORAOMF-RKDXNWHRSA-N 1 0 291.277 0.182 10 0 CCAERO C[NH+](C)CCNc1ccc(S(C)(=O)=O)cc1N ZINC000035329363 172129375 /nfs/dbraw/zinc/12/93/75/172129375.db2.gz VSNOOHDNRJHVNU-UHFFFAOYSA-N 1 0 257.359 0.646 10 0 CCAERO CS(=O)(=O)c1ccccc1NCCCN1CC[NH2+]CC1 ZINC000035348420 172142044 /nfs/dbraw/zinc/14/20/44/172142044.db2.gz CHXIGUVCWKVMTQ-UHFFFAOYSA-N 1 0 297.424 0.797 10 0 CCAERO CN1CCN(S(=O)(=O)c2ccc(CC[NH3+])s2)CC1 ZINC000035679150 172349839 /nfs/dbraw/zinc/34/98/39/172349839.db2.gz RTJOARGKPRFUPP-UHFFFAOYSA-N 1 0 289.426 0.185 10 0 CCAERO O=S1(=O)C[C@@H](N2CCC[NH2+]CC2)c2ccccc21 ZINC000035688244 172356648 /nfs/dbraw/zinc/35/66/48/172356648.db2.gz UOSBDFCVCASBBJ-GFCCVEGCSA-N 1 0 266.366 0.810 10 0 CCAERO COCCNC(=O)N1C[C@H](C)N(CC[NH+](C)C)[C@@H](C)C1 ZINC000036217833 172518082 /nfs/dbraw/zinc/51/80/82/172518082.db2.gz YQRHMILQQJXDIT-STQMWFEESA-N 1 0 286.420 0.299 10 0 CCAERO Cc1c(C(=O)N2C[C@@H]3C[C@@H]([NH3+])CC[C@@H]3C2)cnn1C ZINC000036261683 172554455 /nfs/dbraw/zinc/55/44/55/172554455.db2.gz UROAZUPMMJQSQB-WOPDTQHZSA-N 1 0 262.357 0.928 10 0 CCAERO CN(C(=O)c1c(F)cccc1Cl)[C@@H]1C[NH2+]C[C@H]1O ZINC000036261615 172554506 /nfs/dbraw/zinc/55/45/06/172554506.db2.gz VPMNSIRPYGZFPZ-NXEZZACHSA-N 1 0 272.707 0.884 10 0 CCAERO [NH3+]CCCN(C1CC1)S(=O)(=O)N1CCCCC1 ZINC000036731617 172663056 /nfs/dbraw/zinc/66/30/56/172663056.db2.gz LQMFFHQTIGPKLZ-UHFFFAOYSA-N 1 0 261.391 0.530 10 0 CCAERO CC(C)[NH+]1CCC(Nc2cnn(CC(N)=O)c2)CC1 ZINC000036998392 172857781 /nfs/dbraw/zinc/85/77/81/172857781.db2.gz KCBSIRCVSYTWTK-UHFFFAOYSA-N 1 0 265.361 0.653 10 0 CCAERO COc1cccc(N(CCC[NH3+])C[C@H](C)C(N)=O)c1 ZINC000037226995 173047432 /nfs/dbraw/zinc/04/74/32/173047432.db2.gz APDKWGJGRHJEKT-NSHDSACASA-N 1 0 265.357 0.972 10 0 CCAERO COc1cccc(N(CCC[NH3+])C[C@@H](C)C(N)=O)c1 ZINC000037226996 173047442 /nfs/dbraw/zinc/04/74/42/173047442.db2.gz APDKWGJGRHJEKT-LLVKDONJSA-N 1 0 265.357 0.972 10 0 CCAERO CCNC(=O)C[NH2+][C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000037262506 173072390 /nfs/dbraw/zinc/07/23/90/173072390.db2.gz PFJIJZMCTCDDJQ-VIFPVBQESA-N 1 0 264.329 0.964 10 0 CCAERO [NH3+]C1CCN(CN2C(=O)c3ccccc3C2=O)CC1 ZINC000037504298 173240216 /nfs/dbraw/zinc/24/02/16/173240216.db2.gz YIPVOWXTWVXZHW-UHFFFAOYSA-N 1 0 259.309 0.663 10 0 CCAERO CCCN(C(=O)CN1CCCC1=O)[C@H]1CCC[NH2+]C1 ZINC000037541506 173263253 /nfs/dbraw/zinc/26/32/53/173263253.db2.gz BHGOTKXECXRJBX-LBPRGKRZSA-N 1 0 267.373 0.599 10 0 CCAERO C[C@@H]1C[C@H](C)C[N@@H+](CCN2C[C@@H](O)C[C@@H]2CO)C1 ZINC000660148624 414154596 /nfs/dbraw/zinc/15/45/96/414154596.db2.gz ROEOLTYABDKLSS-RQJABVFESA-N 1 0 256.390 0.392 10 0 CCAERO NC(=O)[C@@]1(O)CC[N@H+](Cc2cnc3ccccc3n2)C1 ZINC000660388546 414284459 /nfs/dbraw/zinc/28/44/59/414284459.db2.gz VVRGZDTYMALCHE-CQSZACIVSA-N 1 0 272.308 0.052 10 0 CCAERO CCN(C(=O)[C@@H]1CCCC[NH2+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000037804778 173745147 /nfs/dbraw/zinc/74/51/47/173745147.db2.gz DJQDIDGRQZDSMI-MNOVXSKESA-N 1 0 274.386 0.164 10 0 CCAERO Cn1cnnc1[C@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000037819692 173771606 /nfs/dbraw/zinc/77/16/06/173771606.db2.gz GUDNPAQXNDAIPT-QWRGUYRKSA-N 1 0 263.345 0.273 10 0 CCAERO CC(C)[NH2+]CCCC(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000037821642 173774780 /nfs/dbraw/zinc/77/47/80/173774780.db2.gz GLJMTTWQJAYKSP-RYUDHWBXSA-N 1 0 269.389 0.877 10 0 CCAERO CC[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)CCO)c1 ZINC000037899665 173827926 /nfs/dbraw/zinc/82/79/26/173827926.db2.gz WGWTUNMUJLUYIG-NSHDSACASA-N 1 0 286.397 0.970 10 0 CCAERO CCN(CCO)S(=O)(=O)c1cccc([C@@H](C)[NH2+]C)c1 ZINC000037900521 173829178 /nfs/dbraw/zinc/82/91/78/173829178.db2.gz KFAPQXOAWGWGJW-LLVKDONJSA-N 1 0 286.397 0.970 10 0 CCAERO C[C@H](C[NH2+][C@@H]1CC(=O)N(C2CC2)C1=O)N1CCCCC1 ZINC000038029203 174019138 /nfs/dbraw/zinc/01/91/38/174019138.db2.gz QEGVETXSWULCQV-DGCLKSJQSA-N 1 0 279.384 0.740 10 0 CCAERO CN(CC(=O)N1CC[NH2+]CC1)[C@@H]1COc2cc(O)ccc21 ZINC000038030943 174023610 /nfs/dbraw/zinc/02/36/10/174023610.db2.gz BUVXLLJHVGQHGO-CYBMUJFWSA-N 1 0 291.351 0.189 10 0 CCAERO Nc1cccc2c1CC[N@H+](CCN1C(=O)CCC1=O)C2 ZINC000038032852 174029606 /nfs/dbraw/zinc/02/96/06/174029606.db2.gz DZXZPLLACUKYCF-UHFFFAOYSA-N 1 0 273.336 0.776 10 0 CCAERO CC[C@@H](O)C[NH2+]CCCN(CC)S(C)(=O)=O ZINC000038035653 174033986 /nfs/dbraw/zinc/03/39/86/174033986.db2.gz DAAPGFIBLIVPCY-SNVBAGLBSA-N 1 0 252.380 0.019 10 0 CCAERO NS(=O)(=O)Nc1cccc(NC2CC[NH2+]CC2)c1 ZINC000038041356 174042166 /nfs/dbraw/zinc/04/21/66/174042166.db2.gz ZYBMNCHOWVVMHR-UHFFFAOYSA-N 1 0 270.358 0.466 10 0 CCAERO CC[NH2+]CCCNC1=NS(=O)(=O)c2ccccc21 ZINC000038043425 174050288 /nfs/dbraw/zinc/05/02/88/174050288.db2.gz LEOSUCKQSFLMLO-UHFFFAOYSA-N 1 0 267.354 0.725 10 0 CCAERO O=C1C[C@@H]([NH2+]C[C@H]2CCCOC2)C(=O)N1C1CC1 ZINC000038045250 174053150 /nfs/dbraw/zinc/05/31/50/174053150.db2.gz UYERKDOVWGTYJK-MWLCHTKSSA-N 1 0 252.314 0.293 10 0 CCAERO O=C(NC[C@@H]1CCCOC1)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000038046131 174054740 /nfs/dbraw/zinc/05/47/40/174054740.db2.gz NCEMPNLMAYWFLU-ZFWWWQNUSA-N 1 0 295.427 0.746 10 0 CCAERO O[C@H](C[NH2+]C[C@H]1COCCO1)COC1CCCC1 ZINC000038061380 174072644 /nfs/dbraw/zinc/07/26/44/174072644.db2.gz WJOIUNBKLOOHJQ-YPMHNXCESA-N 1 0 259.346 0.312 10 0 CCAERO CNC(=O)[C@H](CC(C)C)NC(=O)CC1CC[NH2+]CC1 ZINC000038075165 174085260 /nfs/dbraw/zinc/08/52/60/174085260.db2.gz WKSNBDSCJRFXOS-LBPRGKRZSA-N 1 0 269.389 0.653 10 0 CCAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000038084063 174093792 /nfs/dbraw/zinc/09/37/92/174093792.db2.gz GOFMATISYXVIQT-QWRGUYRKSA-N 1 0 290.429 0.704 10 0 CCAERO COc1ccc(CC[NH3+])cc1O[C@H]1CCS(=O)(=O)C1 ZINC000038085538 174096247 /nfs/dbraw/zinc/09/62/47/174096247.db2.gz CLJIBILWIWFAJW-NSHDSACASA-N 1 0 285.365 0.762 10 0 CCAERO C[C@@H](CNC(=O)[C@@H]1CNc2ccccc2O1)[NH+](C)C ZINC000038089296 174102713 /nfs/dbraw/zinc/10/27/13/174102713.db2.gz AUCRNXMYCYXSBZ-GWCFXTLKSA-N 1 0 263.341 0.926 10 0 CCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(C(=O)OC)CC1 ZINC000038101805 174118113 /nfs/dbraw/zinc/11/81/13/174118113.db2.gz MSVUZOFLLOUGSL-UWVGGRQHSA-N 1 0 257.334 0.270 10 0 CCAERO CCOC(=O)CSc1nnc(N)n1CCC[NH+](C)C ZINC000040174492 174200295 /nfs/dbraw/zinc/20/02/95/174200295.db2.gz UOESNOXZPMNMOK-UHFFFAOYSA-N 1 0 287.389 0.467 10 0 CCAERO C[C@H](O)CNC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000040459801 174269716 /nfs/dbraw/zinc/26/97/16/174269716.db2.gz XQSILGAROSXNIZ-CABZTGNLSA-N 1 0 261.325 0.535 10 0 CCAERO O=C([C@H]1CCCN1C/C=C/Cl)N1CC[NH2+]CC1 ZINC000040508411 174303583 /nfs/dbraw/zinc/30/35/83/174303583.db2.gz QLTIQIVJQAVXFW-JRBALWBOSA-N 1 0 257.765 0.635 10 0 CCAERO CCN(CCO)c1nc[nH+]c(NNC(C)(C)C)c1N ZINC000040736308 174389330 /nfs/dbraw/zinc/38/93/30/174389330.db2.gz UMYIEOVHZUFZHO-UHFFFAOYSA-N 1 0 268.365 0.592 10 0 CCAERO COc1ccnc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)c1OC ZINC000662281963 414705602 /nfs/dbraw/zinc/70/56/02/414705602.db2.gz AGHQMCKVJIZGPV-WCQYABFASA-N 1 0 279.340 0.271 10 0 CCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCC1(S(=O)(=O)CC)CC1 ZINC000662708684 414744267 /nfs/dbraw/zinc/74/42/67/414744267.db2.gz YPUCEUXSZPGAKG-VHSXEESVSA-N 1 0 276.402 0.443 10 0 CCAERO C[C@H]1CN(C(=O)c2nn(C)cc2Br)C[C@H]1[NH3+] ZINC000662812245 414813179 /nfs/dbraw/zinc/81/31/79/414813179.db2.gz GOOWMJIYQWBAGV-POYBYMJQSA-N 1 0 287.161 0.602 10 0 CCAERO CN(C(=O)c1ccnn1C)[C@@H](C[NH3+])C(F)(F)F ZINC000662977728 414932167 /nfs/dbraw/zinc/93/21/67/414932167.db2.gz CAFLSHVTBRCIEC-ZETCQYMHSA-N 1 0 250.224 0.382 10 0 CCAERO CNC(=O)[C@H]1CCCCN1C(=O)C[C@H]1CCCC[NH2+]1 ZINC000042425193 174724439 /nfs/dbraw/zinc/72/44/39/174724439.db2.gz CNQAIIMYKZZFST-VXGBXAGGSA-N 1 0 267.373 0.646 10 0 CCAERO C[C@@H](C[NH3+])CN(C)C(=O)[C@H]1COc2ccccc2O1 ZINC000042455070 174746961 /nfs/dbraw/zinc/74/69/61/174746961.db2.gz JUYJHNFDKWHPTK-GXFFZTMASA-N 1 0 264.325 0.880 10 0 CCAERO COC[C@H](O)CN(C)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000042525965 174775976 /nfs/dbraw/zinc/77/59/76/174775976.db2.gz OVMVYYIESJBOTG-VXGBXAGGSA-N 1 0 252.314 0.152 10 0 CCAERO C[NH2+][C@H](C)C(=O)N1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000663006054 414945873 /nfs/dbraw/zinc/94/58/73/414945873.db2.gz SHAQEMPXHKKTHV-VAOFZXAKSA-N 1 0 250.289 0.865 10 0 CCAERO C[NH2+][C@H](C)C(=O)N1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000663006053 414946684 /nfs/dbraw/zinc/94/66/84/414946684.db2.gz SHAQEMPXHKKTHV-SOCHQFKDSA-N 1 0 250.289 0.865 10 0 CCAERO CCN([C@@H](C)COC)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000042782385 174878134 /nfs/dbraw/zinc/87/81/34/174878134.db2.gz YIYRCKPCRYTRDP-NSHDSACASA-N 1 0 278.418 0.673 10 0 CCAERO CO[C@H]1C[NH2+][C@H](C(=O)N(C)Cc2cscn2)C1 ZINC000042868629 174895975 /nfs/dbraw/zinc/89/59/75/174895975.db2.gz LFNRELZQDLWXFP-ZJUUUORDSA-N 1 0 255.343 0.478 10 0 CCAERO CN(C[C@@H]1[NH2+]CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000043596100 175077037 /nfs/dbraw/zinc/07/70/37/175077037.db2.gz DCIASKYBZRTDAR-HIFRSBDPSA-N 1 0 294.420 0.992 10 0 CCAERO COCCN(CCC(N)=[NH2+])CCn1ccnc1C ZINC000071228922 176090994 /nfs/dbraw/zinc/09/09/94/176090994.db2.gz BNRHZIWTPGDUDU-UHFFFAOYSA-N 1 0 253.350 0.466 10 0 CCAERO C[C@H](O)CN(C)S(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000071244553 176094726 /nfs/dbraw/zinc/09/47/26/176094726.db2.gz ZAQXQKCPENAUEQ-QMMMGPOBSA-N 1 0 276.333 0.286 10 0 CCAERO CN(CC(=O)Nc1nnc(C2CC2)o1)[C@H]1CC[NH2+]C1 ZINC000071310997 176118152 /nfs/dbraw/zinc/11/81/52/176118152.db2.gz QXGWQBIQYOTPOD-VIFPVBQESA-N 1 0 265.317 0.179 10 0 CCAERO CCN(c1nc(OC)nc(OC)n1)[C@H]1CC[NH2+]C1 ZINC000071314253 176121111 /nfs/dbraw/zinc/12/11/11/176121111.db2.gz SMWQYQQCUVFUJA-QMMMGPOBSA-N 1 0 253.306 0.077 10 0 CCAERO CCCn1c(C[NH3+])nnc1SC[C@@H]1CNC(=O)O1 ZINC000071375164 176140357 /nfs/dbraw/zinc/14/03/57/176140357.db2.gz ATHAJTCGQLIYNV-ZETCQYMHSA-N 1 0 271.346 0.347 10 0 CCAERO C[NH2+]Cc1cc(C)ccc1O[C@@H](C)C(=O)NC(N)=O ZINC000071403666 176155512 /nfs/dbraw/zinc/15/55/12/176155512.db2.gz JFRFYHPZFBFYOO-VIFPVBQESA-N 1 0 265.313 0.677 10 0 CCAERO COc1cc(CC(=O)NCC[NH3+])c(OC)cc1C ZINC000071574093 176201120 /nfs/dbraw/zinc/20/11/20/176201120.db2.gz MTQSZKNXASMQTB-UHFFFAOYSA-N 1 0 252.314 0.630 10 0 CCAERO COc1ccc(Cn2nnc(CC[NH3+])n2)c(OC)c1 ZINC000076361281 177001908 /nfs/dbraw/zinc/00/19/08/177001908.db2.gz BJDDSJKMJYKSSP-UHFFFAOYSA-N 1 0 263.301 0.240 10 0 CCAERO [NH3+]C[C@H](C(=O)[O-])N1CC[NH+](Cc2ccccc2)CC1 ZINC000076362580 177003081 /nfs/dbraw/zinc/00/30/81/177003081.db2.gz MYUMXUKJZJDYGZ-CYBMUJFWSA-N 1 0 263.341 0.216 10 0 CCAERO CC(C)CCN1CCCN(CCC[NH3+])S1(=O)=O ZINC000076364144 177003681 /nfs/dbraw/zinc/00/36/81/177003681.db2.gz NAOBCXRBPIHLHQ-UHFFFAOYSA-N 1 0 263.407 0.634 10 0 CCAERO C[C@@H]([NH3+])c1ccc(-n2cc(S(C)(=O)=O)cn2)cn1 ZINC000725242015 545873922 /nfs/dbraw/zinc/87/39/22/545873922.db2.gz AACVQYHIDLKZKS-MRVPVSSYSA-N 1 0 266.326 0.691 10 0 CCAERO CS(=O)(=O)c1cnn(-c2ccc(C(N)=[NH2+])cc2F)c1 ZINC000725251355 545875016 /nfs/dbraw/zinc/87/50/16/545875016.db2.gz FETKPCDJFINVLB-UHFFFAOYSA-N 1 0 282.300 0.699 10 0 CCAERO CS(=O)(=O)c1cnn(Cc2ccc(C(N)=[NH2+])cc2)c1 ZINC000725251396 545875032 /nfs/dbraw/zinc/87/50/32/545875032.db2.gz GSHUTMRMJBEJLM-UHFFFAOYSA-N 1 0 278.337 0.619 10 0 CCAERO CS(=O)(=O)c1cnn(CCC[C@@H](O)C[NH2+]C2CC2)c1 ZINC000725253408 545878370 /nfs/dbraw/zinc/87/83/70/545878370.db2.gz VCJJHLUCERGGRE-LLVKDONJSA-N 1 0 287.385 0.180 10 0 CCAERO CO[C@H](C)Cn1nnc(C[NH3+])c1-c1ccnn1C ZINC000725257121 545880484 /nfs/dbraw/zinc/88/04/84/545880484.db2.gz HARYATOZFAUITM-MRVPVSSYSA-N 1 0 250.306 0.172 10 0 CCAERO COCCNC(=O)N1CC[C@@H]([NH3+])[C@@H](C(F)(F)F)CC1 ZINC000725262773 545883398 /nfs/dbraw/zinc/88/33/98/545883398.db2.gz OXZVVLLZLPDECJ-DTWKUNHWSA-N 1 0 283.294 0.944 10 0 CCAERO COCCNC(=O)N1CC[C@@H]([NH3+])[C@H](C(F)(F)F)CC1 ZINC000725262852 545883749 /nfs/dbraw/zinc/88/37/49/545883749.db2.gz OXZVVLLZLPDECJ-RKDXNWHRSA-N 1 0 283.294 0.944 10 0 CCAERO CC[C@H](C)[NH2+]CC[C@H](CO)[C@H]1CCS(=O)(=O)C1 ZINC000725266747 545885865 /nfs/dbraw/zinc/88/58/65/545885865.db2.gz BAMDULKRFCSYCC-TUAOUCFPSA-N 1 0 263.403 0.808 10 0 CCAERO CCOC(=O)Cn1nnc([C@@H]2CCCCO2)c1C[NH3+] ZINC000725268860 545886175 /nfs/dbraw/zinc/88/61/75/545886175.db2.gz CWZFUCOAVOAEFK-JTQLQIEISA-N 1 0 268.317 0.542 10 0 CCAERO C[C@H]([NH2+]C[C@H](O)COC[C@@H]1CCCO1)[C@@H]1CCCO1 ZINC000037889695 544423647 /nfs/dbraw/zinc/42/36/47/544423647.db2.gz HZEHSCZYJHDXSK-XUXIUFHCSA-N 1 0 273.373 0.700 10 0 CCAERO CNS(=O)(=O)c1ccc(NC(=O)[C@@H](C)[NH2+]C)cc1 ZINC000054074103 544442101 /nfs/dbraw/zinc/44/21/01/544442101.db2.gz FCMRFTQYJKKHGW-MRVPVSSYSA-N 1 0 271.342 0.141 10 0 CCAERO Cn1c2ccccc2[nH]c1=NC(=O)[C@H]1CCC[NH2+]C1 ZINC000082280947 544485660 /nfs/dbraw/zinc/48/56/60/544485660.db2.gz LPVIPIMABPSPPN-JTQLQIEISA-N 1 0 258.325 0.933 10 0 CCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(C)CC(=O)N1CCCC1 ZINC000094647492 544544902 /nfs/dbraw/zinc/54/49/02/544544902.db2.gz CPRVBHXLFANIMT-NEPJUHHUSA-N 1 0 267.373 0.455 10 0 CCAERO C[NH+](C)CCOc1cccc(NC(=O)[C@@H]2COCCN2)c1 ZINC000088358821 544505992 /nfs/dbraw/zinc/50/59/92/544505992.db2.gz KHDOSJGSXNOZEU-AWEZNQCLSA-N 1 0 293.367 0.554 10 0 CCAERO CCNC(=O)CN(CC)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089455397 544512990 /nfs/dbraw/zinc/51/29/90/544512990.db2.gz OCPUZAAKSFTGFS-QWRGUYRKSA-N 1 0 255.362 0.346 10 0 CCAERO C[C@H](NC(=O)[C@H]1CCC[C@@H]1C[NH3+])c1nnc2n1CCC2 ZINC000089451513 544513011 /nfs/dbraw/zinc/51/30/11/544513011.db2.gz RMNNITVSDCJIOX-AXFHLTTASA-N 1 0 277.372 0.777 10 0 CCAERO CCNC(=O)CN(CC)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089455393 544513526 /nfs/dbraw/zinc/51/35/26/544513526.db2.gz OCPUZAAKSFTGFS-MNOVXSKESA-N 1 0 255.362 0.346 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000089452020 544513633 /nfs/dbraw/zinc/51/36/33/544513633.db2.gz OOTADJUKBMUSOE-GWCFXTLKSA-N 1 0 286.339 0.976 10 0 CCAERO CN(CC(=O)N1CCCC1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089457287 544514295 /nfs/dbraw/zinc/51/42/95/544514295.db2.gz YVJPZPNMKGFMOY-NWDGAFQWSA-N 1 0 267.373 0.442 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)COC[C@@H]2CCOC2)C1 ZINC000117792413 544565530 /nfs/dbraw/zinc/56/55/30/544565530.db2.gz MUHOWXUWZPMWGD-OLZOCXBDSA-N 1 0 270.373 0.640 10 0 CCAERO Cc1nn(C)c2ncc(NC(=O)C3([NH3+])CCOCC3)cc12 ZINC000132123167 544620975 /nfs/dbraw/zinc/62/09/75/544620975.db2.gz BGUZLMWZCKOKDR-UHFFFAOYSA-N 1 0 289.339 0.723 10 0 CCAERO CCN(C(=O)C[C@@H]([NH3+])C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000148559052 544646591 /nfs/dbraw/zinc/64/65/91/544646591.db2.gz FODROTRXBVTTQO-WDEREUQCSA-N 1 0 276.402 0.395 10 0 CCAERO CNC(=O)[C@H]1CCCN1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000154971144 544674005 /nfs/dbraw/zinc/67/40/05/544674005.db2.gz DQLHPZJZFFGSDJ-CYBMUJFWSA-N 1 0 296.415 0.779 10 0 CCAERO CC(=O)N1CCCN(C(=O)C[C@H]([NH3+])C(C)C)CC1 ZINC000136443147 544638743 /nfs/dbraw/zinc/63/87/43/544638743.db2.gz VKDLJDQNHVQDQG-LBPRGKRZSA-N 1 0 255.362 0.441 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC(CC(N)=O)CC1 ZINC000136402368 544638802 /nfs/dbraw/zinc/63/88/02/544638802.db2.gz XRZNIUZWOZDZHT-LLVKDONJSA-N 1 0 255.362 0.474 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000136497271 544639447 /nfs/dbraw/zinc/63/94/47/544639447.db2.gz JWDLHYGUDSXZLM-IJLUTSLNSA-N 1 0 267.373 0.487 10 0 CCAERO [NH3+]CC1(C(=O)N2CCC[C@@H](c3cc[nH]n3)C2)CCOCC1 ZINC000166026233 544723576 /nfs/dbraw/zinc/72/35/76/544723576.db2.gz CAQXSNPGPNYNID-GFCCVEGCSA-N 1 0 292.383 0.871 10 0 CCAERO O=c1[nH]c2ccccc2n1CCCN1CCOC[C@@H]1CO ZINC000168866371 544731033 /nfs/dbraw/zinc/73/10/33/544731033.db2.gz BQTFGTAKMYZAOB-LBPRGKRZSA-N 1 0 291.351 0.413 10 0 CCAERO COc1c(CN(C)CCN2CC[NH2+]CC2)c(C)nn1C ZINC000158496113 544689624 /nfs/dbraw/zinc/68/96/24/544689624.db2.gz WCFAAKZEGGEFOW-UHFFFAOYSA-N 1 0 281.404 0.074 10 0 CCAERO COc1c(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c(C)nn1C ZINC000162957287 544714229 /nfs/dbraw/zinc/71/42/29/544714229.db2.gz ITYHBVJOBOLGLA-QWRGUYRKSA-N 1 0 250.346 0.388 10 0 CCAERO C[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1nccn1C ZINC000182278388 544762646 /nfs/dbraw/zinc/76/26/46/544762646.db2.gz XXDUVPCMYDPIMW-NWDGAFQWSA-N 1 0 252.362 0.791 10 0 CCAERO CNC(=O)[C@H]([NH2+]CC(=O)N(C)CC(F)(F)F)C(C)C ZINC000183636238 544767446 /nfs/dbraw/zinc/76/74/46/544767446.db2.gz DFTYPLUGLLUGMZ-SECBINFHSA-N 1 0 283.294 0.367 10 0 CCAERO C[C@@H](NC(=O)NCC[N@@H+]1CCCOCC1)[C@@H]1CCCO1 ZINC000186947606 544779445 /nfs/dbraw/zinc/77/94/45/544779445.db2.gz VBGVMUVXGWWCHU-OLZOCXBDSA-N 1 0 285.388 0.575 10 0 CCAERO Cc1nc2c([nH]1)C[C@H](C(=O)NCCC[NH+](C)C)CC2 ZINC000220583580 544815543 /nfs/dbraw/zinc/81/55/43/544815543.db2.gz DPGOHYYRNPERHT-LLVKDONJSA-N 1 0 264.373 0.891 10 0 CCAERO CC(=O)NCC1CCN(C(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000226303835 544829967 /nfs/dbraw/zinc/82/99/67/544829967.db2.gz KBOUQVDWLZHBNF-CYBMUJFWSA-N 1 0 269.389 0.735 10 0 CCAERO Cc1cnn(CCNC(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000226675644 544831057 /nfs/dbraw/zinc/83/10/57/544831057.db2.gz ZEFVBGYTXVLFDY-NEPJUHHUSA-N 1 0 250.346 0.683 10 0 CCAERO CCCCOC[C@H](O)C[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000227892797 544839085 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O[C@H]1C[NH2+]C[C@H]1CNCc1ccc(Br)cn1 ZINC000262129399 544940648 /nfs/dbraw/zinc/94/06/48/544940648.db2.gz NQEXQUZOXLPLCR-KCJUWKMLSA-N 1 0 286.173 0.514 10 0 CCAERO O=C(COc1ccc(F)cc1F)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262109368 544940861 /nfs/dbraw/zinc/94/08/61/544940861.db2.gz FHEUMFUREXIXEN-GZMMTYOYSA-N 1 0 286.278 0.040 10 0 CCAERO Cc1nn(-c2ccccc2)cc1CNC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262141955 544942059 /nfs/dbraw/zinc/94/20/59/544942059.db2.gz PURPIEXBRVVIMO-CJNGLKHVSA-N 1 0 286.379 0.851 10 0 CCAERO Cc1ccc(OCC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c(C)c1 ZINC000262137263 544942253 /nfs/dbraw/zinc/94/22/53/544942253.db2.gz GXLQTDYCEXXMSI-QWHCGFSZSA-N 1 0 278.352 0.379 10 0 CCAERO CC(C)n1ncc2cc(CNC[C@H]3C[NH2+]C[C@@H]3O)cnc21 ZINC000262146933 544942257 /nfs/dbraw/zinc/94/22/57/544942257.db2.gz QNDXARXZXPOPLA-KBPBESRZSA-N 1 0 289.383 0.682 10 0 CCAERO Cc1nc(CC(C)C)sc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262148487 544942310 /nfs/dbraw/zinc/94/23/10/544942310.db2.gz HPKQPKUBVSNHDN-WDEREUQCSA-N 1 0 297.424 0.960 10 0 CCAERO Cc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1F ZINC000262293310 544942620 /nfs/dbraw/zinc/94/26/20/544942620.db2.gz OWUCGPRKBANOHE-CMPLNLGQSA-N 1 0 252.289 0.444 10 0 CCAERO CC1(C)CN(CCNC(=O)N[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000333826289 545043356 /nfs/dbraw/zinc/04/33/56/545043356.db2.gz RYISZHVWEGOQKS-CYBMUJFWSA-N 1 0 298.431 0.539 10 0 CCAERO C[C@@H]1C[C@H](O)CN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000333881427 545044072 /nfs/dbraw/zinc/04/40/72/545044072.db2.gz DPIOBOSQZBEAIJ-ITGHMWBKSA-N 1 0 281.400 0.787 10 0 CCAERO NC(=O)[C@@]1(O)CCC[N@H+](CCOCc2ccccc2)C1 ZINC000309834415 545009801 /nfs/dbraw/zinc/00/98/01/545009801.db2.gz UBSBWJLUQIYVGJ-OAHLLOKOSA-N 1 0 278.352 0.515 10 0 CCAERO COc1ccc(C[NH+](C)C)cc1NS(=O)(=O)N(C)C ZINC000311884018 545012925 /nfs/dbraw/zinc/01/29/25/545012925.db2.gz YWDNXRAZJDNDLN-UHFFFAOYSA-N 1 0 287.385 0.975 10 0 CCAERO C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC[C@](O)(C(N)=O)C2)C1 ZINC000319067215 545015632 /nfs/dbraw/zinc/01/56/32/545015632.db2.gz MUMKOSGQEVZTIU-UMVBOHGHSA-N 1 0 283.416 0.277 10 0 CCAERO COC1(C(=O)NC[C@H](O)C(C)(C)C)CC[NH2+]CC1 ZINC000324469551 545016587 /nfs/dbraw/zinc/01/65/87/545016587.db2.gz AOABYUHJRFXPSA-JTQLQIEISA-N 1 0 258.362 0.278 10 0 CCAERO Cn1cc(-c2nc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)no2)nn1 ZINC000329600131 545023737 /nfs/dbraw/zinc/02/37/37/545023737.db2.gz PYAKVXDCPQMQMR-WPRPVWTQSA-N 1 0 276.300 0.401 10 0 CCAERO Cn1nncc1-c1nc([C@@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000329615649 545024159 /nfs/dbraw/zinc/02/41/59/545024159.db2.gz SHDLFYLLLAKEMW-WPRPVWTQSA-N 1 0 276.300 0.401 10 0 CCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCO[C@H]1C ZINC000332764498 545032885 /nfs/dbraw/zinc/03/28/85/545032885.db2.gz HXTBMQMXJAGFRE-XQQFMLRXSA-N 1 0 285.388 0.574 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000333644741 545041322 /nfs/dbraw/zinc/04/13/22/545041322.db2.gz IWEMBWGIVQWXEM-YNEHKIRRSA-N 1 0 292.387 0.765 10 0 CCAERO C[C@H](NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)[C@H]1CCCO1 ZINC000333712354 545042040 /nfs/dbraw/zinc/04/20/40/545042040.db2.gz FOMYEOOBZSWLNX-ZDEQEGDKSA-N 1 0 267.373 0.947 10 0 CCAERO O=C([C@@H]1CC(=O)Nc2ccccc21)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333350687 275003492 /nfs/dbraw/zinc/00/34/92/275003492.db2.gz VTNPJMVTWADXHM-QKCSRTOESA-N 1 0 285.347 0.933 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCCn3ncnc32)C1 ZINC000245911786 276177822 /nfs/dbraw/zinc/17/78/22/276177822.db2.gz WVYROVDZSPRQCJ-RYUDHWBXSA-N 1 0 292.387 0.897 10 0 CCAERO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCNC1=O ZINC000408128394 276261127 /nfs/dbraw/zinc/26/11/27/276261127.db2.gz JKCFDRZNYPRUSA-MNOVXSKESA-N 1 0 253.346 0.256 10 0 CCAERO CCO[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CCN(C)C2)C12CCOCC2 ZINC000329939382 276345452 /nfs/dbraw/zinc/34/54/52/276345452.db2.gz FQIAKOXLRIQDOU-KFWWJZLASA-N 1 0 298.427 0.617 10 0 CCAERO CC[NH+]1CCN([C@H]2CCN(C(=O)C3=CCCCO3)C2)CC1 ZINC000174676327 276387076 /nfs/dbraw/zinc/38/70/76/276387076.db2.gz UGWASEDHPBULMV-AWEZNQCLSA-N 1 0 293.411 0.919 10 0 CCAERO CCc1nnc(NC(=O)c2n[nH]c3c2C[NH2+]CC3)s1 ZINC000188199893 276701740 /nfs/dbraw/zinc/70/17/40/276701740.db2.gz RRGXRKXKXUCXIH-UHFFFAOYSA-N 1 0 278.341 0.722 10 0 CCAERO C[NH2+][C@H](C)CNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000261771632 277041508 /nfs/dbraw/zinc/04/15/08/277041508.db2.gz PITOGKKWJCHOLO-GHMZBOCLSA-N 1 0 267.373 0.502 10 0 CCAERO C[N@@H+]1CC[C@@H]2OCCN(C(=O)CC(C)(C)O)[C@H]2C1 ZINC000408042050 277150422 /nfs/dbraw/zinc/15/04/22/277150422.db2.gz JMGBZQLCBIWEJN-QWRGUYRKSA-N 1 0 256.346 0.079 10 0 CCAERO CN1C[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCC1=O ZINC000089482077 277203626 /nfs/dbraw/zinc/20/36/26/277203626.db2.gz SFUPUKVZORAESP-GMTAPVOTSA-N 1 0 253.346 0.098 10 0 CCAERO CC(C)C[N@@H+](CC(N)=O)C[C@@H](O)COC(C)(C)C ZINC000046061490 277378480 /nfs/dbraw/zinc/37/84/80/277378480.db2.gz UWRZITWQWWTVHL-LLVKDONJSA-N 1 0 260.378 0.606 10 0 CCAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000381707866 545084740 /nfs/dbraw/zinc/08/47/40/545084740.db2.gz DMTIRODLFBHIGB-ZETCQYMHSA-N 1 0 284.341 0.155 10 0 CCAERO CC(=O)NCC(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000186293882 278097126 /nfs/dbraw/zinc/09/71/26/278097126.db2.gz ICLZRQITYQWHIC-LLVKDONJSA-N 1 0 255.362 0.503 10 0 CCAERO CC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)C1 ZINC000341628737 278144071 /nfs/dbraw/zinc/14/40/71/278144071.db2.gz FRMFBSQIWJMPLL-BFHYXJOUSA-N 1 0 296.415 0.779 10 0 CCAERO C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116407841 278183379 /nfs/dbraw/zinc/18/33/79/278183379.db2.gz CLEWDRNVTPZWKW-QWRGUYRKSA-N 1 0 250.346 0.686 10 0 CCAERO CC1(C)CCC[C@H]1[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000191859907 278247897 /nfs/dbraw/zinc/24/78/97/278247897.db2.gz HJNKNAGUEXVSOL-NWDGAFQWSA-N 1 0 281.400 0.879 10 0 CCAERO CC(C)(C)OC(=O)N1C[C@@H]([NH3+])[C@@H](N2CCOCC2)C1 ZINC000058041471 278415065 /nfs/dbraw/zinc/41/50/65/278415065.db2.gz GZBVXZUGSZCUMW-MNOVXSKESA-N 1 0 271.361 0.265 10 0 CCAERO CCCNC(=O)CCC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261892983 278830086 /nfs/dbraw/zinc/83/00/86/278830086.db2.gz VJNNTPAYTDXZBX-RYUDHWBXSA-N 1 0 269.389 0.879 10 0 CCAERO C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCC[NH2+]C2)CCO1 ZINC000333842033 278911796 /nfs/dbraw/zinc/91/17/96/278911796.db2.gz VGXWYULNEBGFDT-WOPDTQHZSA-N 1 0 255.362 0.995 10 0 CCAERO CC[C@H](O)C[NH+]1CCN(CCOCC2CC2)CC1 ZINC000174088842 288111368 /nfs/dbraw/zinc/11/13/68/288111368.db2.gz GNIUJCWFEANJQS-AWEZNQCLSA-N 1 0 256.390 0.802 10 0 CCAERO CC[C@H](O)C[NH+]1CCN([C@@H](C)C(=O)N(CC)CC)CC1 ZINC000174086522 288111738 /nfs/dbraw/zinc/11/17/38/288111738.db2.gz NFHONCDZFRFHOY-KBPBESRZSA-N 1 0 285.432 0.632 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCC(=O)N[C@@H]1C ZINC000333077204 279298907 /nfs/dbraw/zinc/29/89/07/279298907.db2.gz LJDUXJRCSNZJJP-JHJVBQTASA-N 1 0 296.415 0.779 10 0 CCAERO [NH3+]C1(C(=O)N2CC[C@@H](N3CCOCC3)C2)CCCCC1 ZINC000062976790 279614736 /nfs/dbraw/zinc/61/47/36/279614736.db2.gz DIMUFUZLHHFQBX-CYBMUJFWSA-N 1 0 281.400 0.581 10 0 CCAERO CCO[C@@H]1C[C@@H](O)C12CC[NH+]([C@H]1COC[C@@H]1OC)CC2 ZINC000333551653 279825737 /nfs/dbraw/zinc/82/57/37/279825737.db2.gz MPQGVGHQDRJCDK-IGQOVBAYSA-N 1 0 285.384 0.652 10 0 CCAERO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCCC2(C1)OCCO2 ZINC000236888285 280123449 /nfs/dbraw/zinc/12/34/49/280123449.db2.gz FJSZUCDCQGCJSS-MNOVXSKESA-N 1 0 256.346 0.725 10 0 CCAERO CC(C)[C@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)N1CCCC1=O ZINC000250286317 280152080 /nfs/dbraw/zinc/15/20/80/280152080.db2.gz LQOYXNZZIIWJKF-DZGCQCFKSA-N 1 0 293.411 0.940 10 0 CCAERO Cc1cc(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)nn1C ZINC000257712847 280335262 /nfs/dbraw/zinc/33/52/62/280335262.db2.gz TYPYJZPQJOCNKD-AWEZNQCLSA-N 1 0 262.357 0.944 10 0 CCAERO CC[C@@H]1CN(C(=O)C2([NH3+])CCCC2)CCN1CCOC ZINC000178776794 280345624 /nfs/dbraw/zinc/34/56/24/280345624.db2.gz GGECZNPYRMIPCQ-CYBMUJFWSA-N 1 0 283.416 0.827 10 0 CCAERO Cc1cc(N2C[C@@H](C)[C@](C)(C[NH3+])C2)n2ncnc2n1 ZINC000311588528 280583858 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CCAERO CCC[NH2+][C@H](CCN1C[C@H](C)OC(C)(C)C1)C(N)=O ZINC000062527774 520076811 /nfs/dbraw/zinc/07/68/11/520076811.db2.gz TUBWSHKPDCSEQH-NWDGAFQWSA-N 1 0 271.405 0.729 10 0 CCAERO CCOc1ccc(OCC)c(-n2nnnc2C[NH3+])c1 ZINC000054744324 521165447 /nfs/dbraw/zinc/16/54/47/521165447.db2.gz OBQCJVBCFNRSAC-UHFFFAOYSA-N 1 0 263.301 0.918 10 0 CCAERO C[NH2+]Cc1nc(CN(C)[C@H]2CCS(=O)(=O)C2)cs1 ZINC000052482667 522151045 /nfs/dbraw/zinc/15/10/45/522151045.db2.gz BCGZWJSWRQAPEX-JTQLQIEISA-N 1 0 289.426 0.481 10 0 CCAERO C[C@H]1CN(C(=O)c2cn(-c3ccccc3)nn2)C[C@H]1[NH3+] ZINC000423940327 533891110 /nfs/dbraw/zinc/89/11/10/533891110.db2.gz BWOMONWRVXWLGQ-CMPLNLGQSA-N 1 0 271.324 0.687 10 0 CCAERO COC[C@@](C)(C[NH3+])N1CCN(c2ccccn2)CC1 ZINC000053197935 522525205 /nfs/dbraw/zinc/52/52/05/522525205.db2.gz FFHPLRIFMAQPDF-CQSZACIVSA-N 1 0 264.373 0.567 10 0 CCAERO CCN(CCC[NH+](CC)CC)C(=O)[C@H]1CNC(=O)C1 ZINC000230728419 517639228 /nfs/dbraw/zinc/63/92/28/517639228.db2.gz AJLQNHAALWBADL-GFCCVEGCSA-N 1 0 269.389 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272.374 0.958 10 0 CCAERO CCN(C)C(=O)[C@H](C)NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000365067170 520207529 /nfs/dbraw/zinc/20/75/29/520207529.db2.gz CCSSOLDRYZCSMU-AVGNSLFASA-N 1 0 296.415 0.589 10 0 CCAERO CCO[C@@H]1CCCN(C(=O)CN2CCC[NH2+]CC2)C1 ZINC000061274245 520316775 /nfs/dbraw/zinc/31/67/75/520316775.db2.gz USPHBCVWBPSCNB-CYBMUJFWSA-N 1 0 269.389 0.309 10 0 CCAERO CCO[C@H](C[NH3+])COc1ccc(S(C)(=O)=O)cc1 ZINC000062740465 520519418 /nfs/dbraw/zinc/51/94/18/520519418.db2.gz SAAFLSUIYZZFOH-LLVKDONJSA-N 1 0 273.354 0.833 10 0 CCAERO CC[NH+](CC)[C@@H]1CCN(C[C@H]([NH2+]C2CC2)C(=O)[O-])C1 ZINC000062969045 520846925 /nfs/dbraw/zinc/84/69/25/520846925.db2.gz SIKCTRDKXLJTGC-OLZOCXBDSA-N 1 0 269.389 0.608 10 0 CCAERO CCC[C@]1(C(=O)N(CC)CC(=O)NCC)CC[NH2+]C1 ZINC000062894607 521296820 /nfs/dbraw/zinc/29/68/20/521296820.db2.gz QPPXEMWZTAVUJM-AWEZNQCLSA-N 1 0 269.389 0.751 10 0 CCAERO CCOC(=O)[C@](C)(N)CN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055070690 521327086 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C[NH+](C)[C@H]1CCN(CC[C@](C)([NH2+]C2CC2)C(=O)[O-])C1 ZINC000062968666 522104823 /nfs/dbraw/zinc/10/48/23/522104823.db2.gz ULFTYCWZBGEDKS-JSGCOSHPSA-N 1 0 269.389 0.608 10 0 CCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCCNC(=O)C(C)C ZINC000182816208 522304086 /nfs/dbraw/zinc/30/40/86/522304086.db2.gz VXDTYMKMXZIIJL-GHMZBOCLSA-N 1 0 257.378 0.638 10 0 CCAERO C[NH2+][C@@H](c1ccc2[nH]c(=O)oc2c1)[C@@H]1COCCO1 ZINC000055299655 522369943 /nfs/dbraw/zinc/36/99/43/522369943.db2.gz NEHDBZXJIGKTCI-RYUDHWBXSA-N 1 0 264.281 0.797 10 0 CCAERO COC[C@H](C)NC(=O)C[NH2+]C1(CO)CCC(C)CC1 ZINC000053118043 522602926 /nfs/dbraw/zinc/60/29/26/522602926.db2.gz MHNCEAFSMDDMKR-LXVYMNJGSA-N 1 0 272.389 0.668 10 0 CCAERO CNc1ccccc1S(=O)(=O)NCCC[NH+](C)C ZINC000050649051 522662246 /nfs/dbraw/zinc/66/22/46/522662246.db2.gz SMQUZIGFOAIGGB-UHFFFAOYSA-N 1 0 271.386 0.958 10 0 CCAERO CNc1ncccc1S(=O)(=O)N[C@@H](C)CC[NH+](C)C ZINC000050674985 522713375 /nfs/dbraw/zinc/71/33/75/522713375.db2.gz SEZYWJXNKYJRPH-JTQLQIEISA-N 1 0 286.401 0.742 10 0 CCAERO CCn1c(Sc2ccnc(C(N)=[NH2+])c2)n[nH]c1=O ZINC000061814751 523248217 /nfs/dbraw/zinc/24/82/17/523248217.db2.gz KMYYFAUCYNNWQP-UHFFFAOYSA-N 1 0 264.314 0.422 10 0 CCAERO COC(=O)C[C@@H]1CCCN1C(=O)C1CC[NH2+]CC1 ZINC000182659252 523285627 /nfs/dbraw/zinc/28/56/27/523285627.db2.gz XMOWSVZYTDVNMZ-NSHDSACASA-N 1 0 254.330 0.540 10 0 CCAERO CN(Cc1cscn1)C(=O)CN1CCC[NH2+]CC1 ZINC000061274300 523533581 /nfs/dbraw/zinc/53/35/81/523533581.db2.gz LKPXPCKRJLMBDZ-UHFFFAOYSA-N 1 0 268.386 0.397 10 0 CCAERO CC[C@]1(C(=O)N(CCO)CC(F)(F)F)CC[NH2+]C1 ZINC000062896547 523533763 /nfs/dbraw/zinc/53/37/63/523533763.db2.gz LMTJLVHOAYFEAY-JTQLQIEISA-N 1 0 268.279 0.759 10 0 CCAERO CN(c1ccccn1)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000049641399 523656953 /nfs/dbraw/zinc/65/69/53/523656953.db2.gz QFKRYUTVSVEPEE-SNVBAGLBSA-N 1 0 255.343 0.600 10 0 CCAERO C[NH+]1CCC(NC(=O)c2cscn2)(C(N)=S)CC1 ZINC000062357491 523775115 /nfs/dbraw/zinc/77/51/15/523775115.db2.gz PMZWKPVIVWENFX-UHFFFAOYSA-N 1 0 284.410 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CN(C)C(=O)c1ccc(CN2CCO[C@@H](C[NH+](C)C)C2)[nH]1 ZINC000128257797 187359974 /nfs/dbraw/zinc/35/99/74/187359974.db2.gz JSCPEDLVXSGZPO-ZDUSSCGKSA-N 1 0 294.399 0.479 10 0 CCAERO [NH3+]C[C@H](CO)N1CCN(c2ccc(F)cc2)CC1 ZINC000077435795 136508307 /nfs/dbraw/zinc/50/83/07/136508307.db2.gz IRCXTTXDFGOJOW-CYBMUJFWSA-N 1 0 253.321 0.267 10 0 CCAERO CCc1cc(=O)[nH]c(CN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)n1 ZINC000120018130 349965908 /nfs/dbraw/zinc/96/59/08/349965908.db2.gz MXYMSYZMHAKFDT-VXGBXAGGSA-N 1 0 294.399 0.632 10 0 CCAERO CC[NH+](CC)CCN1CCO[C@@H](c2nnc(C)[nH]2)C1 ZINC000119948810 349962627 /nfs/dbraw/zinc/96/26/27/349962627.db2.gz BHFCAKPBVRRFLJ-GFCCVEGCSA-N 1 0 267.377 0.828 10 0 CCAERO O=C(NCc1ccc(-c2cc[nH]n2)cc1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000040768805 136753619 /nfs/dbraw/zinc/75/36/19/136753619.db2.gz LDUHENXRCVQLOU-GXTWGEPZSA-N 1 0 286.335 0.416 10 0 CCAERO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCCc2ccccc2C1 ZINC000062945964 136772671 /nfs/dbraw/zinc/77/26/71/136772671.db2.gz FJHXPVFEXFWGGW-ZIAGYGMSSA-N 1 0 260.337 0.684 10 0 CCAERO COCCOCCNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000079531040 136790012 /nfs/dbraw/zinc/79/00/12/136790012.db2.gz NIWGZIIIDPYYEP-UHFFFAOYSA-N 1 0 299.415 0.919 10 0 CCAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000085360913 136794287 /nfs/dbraw/zinc/79/42/87/136794287.db2.gz VLVOYJLOLFJELZ-RYUDHWBXSA-N 1 0 272.312 0.728 10 0 CCAERO NC(=O)NCCCCC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186530367 136912465 /nfs/dbraw/zinc/91/24/65/136912465.db2.gz MXEUZOFKYUYMNJ-LLVKDONJSA-N 1 0 282.388 0.568 10 0 CCAERO C[C@@H](CNC(=O)N1CC(NC(=O)C2CC2)C1)[N@H+](C)C1CC1 ZINC000187006956 136914135 /nfs/dbraw/zinc/91/41/35/136914135.db2.gz VZDDPXMFFLNRRF-JTQLQIEISA-N 1 0 294.399 0.389 10 0 CCAERO CCNC(=O)CC[NH+]1CCN(c2cc(C)[nH]n2)CC1 ZINC000187225191 136914910 /nfs/dbraw/zinc/91/49/10/136914910.db2.gz UPUGADIBQWEMFO-UHFFFAOYSA-N 1 0 265.361 0.366 10 0 CCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H](O)c2ccc(C)cc2)C1 ZINC000191898425 136939180 /nfs/dbraw/zinc/93/91/80/136939180.db2.gz AXPUQCUHKKARSU-MJBXVCDLSA-N 1 0 278.352 0.522 10 0 CCAERO O=C(NC[C@@H]1CCCOC1)N[C@H]1CCCC[NH2+]C1 ZINC000258568398 137005551 /nfs/dbraw/zinc/00/55/51/137005551.db2.gz PJCVSNIKNLODPF-RYUDHWBXSA-N 1 0 255.362 0.854 10 0 CCAERO O=C(NCc1ccc2c(c1)OCCCO2)C1C[NH2+]C1 ZINC000258602987 137005666 /nfs/dbraw/zinc/00/56/66/137005666.db2.gz AGUZBOGDFLUSAI-UHFFFAOYSA-N 1 0 262.309 0.684 10 0 CCAERO C[C@@H](C1CC1)n1[nH]cc/c1=N\C(=O)CN1CC[NH2+]CC1 ZINC000261618716 137012635 /nfs/dbraw/zinc/01/26/35/137012635.db2.gz BSKOGSKHDVEICD-ZDQRYUTBSA-N 1 0 277.372 0.120 10 0 CCAERO CC(=O)N1CSC[C@@H]1C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000261628629 137013331 /nfs/dbraw/zinc/01/33/31/137013331.db2.gz AVBMVFPGYPEOHA-INTQDDNPSA-N 1 0 271.386 0.104 10 0 CCAERO CCOc1ccccc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262369957 137040621 /nfs/dbraw/zinc/04/06/21/137040621.db2.gz WAVVXZZLRAZCCZ-CMPLNLGQSA-N 1 0 264.325 0.395 10 0 CCAERO CCOc1ccccc1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262369964 137040804 /nfs/dbraw/zinc/04/08/04/137040804.db2.gz WAVVXZZLRAZCCZ-PWSUYJOCSA-N 1 0 264.325 0.395 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)C1(c2cccc(F)c2)CCC1 ZINC000262380801 137040951 /nfs/dbraw/zinc/04/09/51/137040951.db2.gz WZCBGSQSOLZPCW-BXUZGUMPSA-N 1 0 292.354 0.944 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cc(-c2ccncc2)on1 ZINC000262395652 137041974 /nfs/dbraw/zinc/04/19/74/137041974.db2.gz YENVKXQHJWWZSU-PWSUYJOCSA-N 1 0 288.307 0.047 10 0 CCAERO COCCN1CCN(C(=O)[C@H](C)C2C[NH2+]C2)C[C@H]1C ZINC000262402446 137042261 /nfs/dbraw/zinc/04/22/61/137042261.db2.gz PPTKTJIDGKZPIB-VXGBXAGGSA-N 1 0 269.389 0.021 10 0 CCAERO CCc1oc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1C ZINC000262409005 137042696 /nfs/dbraw/zinc/04/26/96/137042696.db2.gz ZAXJIBSSKVWBJX-ZJUUUORDSA-N 1 0 252.314 0.461 10 0 CCAERO CCC[C@@H](NC(N)=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000262585257 137047397 /nfs/dbraw/zinc/04/73/97/137047397.db2.gz NTTQILVAMWDUJT-SECBINFHSA-N 1 0 258.366 0.267 10 0 CCAERO C[C@@H](C(=O)N[C@@H](CC(N)=O)C1CCCCC1)C1C[NH2+]C1 ZINC000262591136 137047832 /nfs/dbraw/zinc/04/78/32/137047832.db2.gz WEOGMRDQSGJPNC-MFKMUULPSA-N 1 0 281.400 0.782 10 0 CCAERO COCC[NH2+]CC(=O)NC[C@H](O)c1ccc(Cl)cc1 ZINC000262612693 137047995 /nfs/dbraw/zinc/04/79/95/137047995.db2.gz DSFAFKKZKIZOTM-LBPRGKRZSA-N 1 0 286.759 0.726 10 0 CCAERO CC(C)(C)[S@@](=O)CCNC(=O)C[NH2+]CC1CC1 ZINC000262660933 137049738 /nfs/dbraw/zinc/04/97/38/137049738.db2.gz ZHLPYFNAUHNIEU-KRWDZBQOSA-N 1 0 260.403 0.649 10 0 CCAERO COc1ccc(CNC(=O)C2CCN(CC[NH3+])CC2)cc1 ZINC000263066571 137057668 /nfs/dbraw/zinc/05/76/68/137057668.db2.gz WBGSONXCOCUKKF-UHFFFAOYSA-N 1 0 291.395 0.982 10 0 CCAERO CN1CC[NH2+]C[C@H]1c1noc([C@@H]2CCCCO2)n1 ZINC000263118010 137058989 /nfs/dbraw/zinc/05/89/89/137058989.db2.gz ASFSBABGKFXCDQ-UWVGGRQHSA-N 1 0 252.318 0.887 10 0 CCAERO CN1CC[NH2+]C[C@@H]1c1noc(CC2CCOCC2)n1 ZINC000263147982 137059059 /nfs/dbraw/zinc/05/90/59/137059059.db2.gz CWMFCXYMEBNBKO-LLVKDONJSA-N 1 0 266.345 0.615 10 0 CCAERO CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261779803 137019511 /nfs/dbraw/zinc/01/95/11/137019511.db2.gz GBCCZJYPVHJNIA-GHMZBOCLSA-N 1 0 285.413 0.494 10 0 CCAERO C[NH2+][C@@H](C)CNC(=O)c1cccc(CS(C)(=O)=O)c1 ZINC000261814597 137020835 /nfs/dbraw/zinc/02/08/35/137020835.db2.gz TVHXVSALUXMKPV-JTQLQIEISA-N 1 0 284.381 0.569 10 0 CCAERO C[C@H]1CCN(C(=O)c2cc(C(N)=O)cn2C)[C@@H](C[NH3+])C1 ZINC000261886790 137024106 /nfs/dbraw/zinc/02/41/06/137024106.db2.gz UTLDSDFRGKYSIR-GXSJLCMTSA-N 1 0 278.356 0.323 10 0 CCAERO C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)C(=O)N1CCCC[C@@H]1C ZINC000261924901 137026139 /nfs/dbraw/zinc/02/61/39/137026139.db2.gz ZBBNLBQQHWFWFA-LOWDOPEQSA-N 1 0 297.399 0.398 10 0 CCAERO Cc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c(F)c1 ZINC000262202645 137030631 /nfs/dbraw/zinc/03/06/31/137030631.db2.gz IGZZIQZJWSAISG-CABZTGNLSA-N 1 0 252.289 0.444 10 0 CCAERO COC(C)(C)CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262261437 137033836 /nfs/dbraw/zinc/03/38/36/137033836.db2.gz MGWSVGSVNSNOJS-NEPJUHHUSA-N 1 0 280.372 0.264 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc2ncsc2c1 ZINC000262264828 137033905 /nfs/dbraw/zinc/03/39/05/137033905.db2.gz MMCPDVGXCOJQCW-ONGXEEELSA-N 1 0 277.349 0.606 10 0 CCAERO O=C(NCc1ccccc1CN1CCCC1=O)C1C[NH2+]C1 ZINC000262278060 137034779 /nfs/dbraw/zinc/03/47/79/137034779.db2.gz VDIMLKWGQGYNQY-UHFFFAOYSA-N 1 0 287.363 0.645 10 0 CCAERO CC[C@H](C)c1cc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)on1 ZINC000262295687 137035834 /nfs/dbraw/zinc/03/58/34/137035834.db2.gz PAXLFIZWCBKCQB-IQJOONFLSA-N 1 0 267.329 0.498 10 0 CCAERO O=C(CCc1cc(F)ccc1F)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262292067 137036202 /nfs/dbraw/zinc/03/62/02/137036202.db2.gz OVDDWTOSDLBHOU-GXFFZTMASA-N 1 0 284.306 0.594 10 0 CCAERO [NH3+]C[C@@H]1CCN(C(=O)Cn2cnc3ccccc3c2=O)C1 ZINC000262299746 137036229 /nfs/dbraw/zinc/03/62/29/137036229.db2.gz ZTQLWPRXKLDHCE-NSHDSACASA-N 1 0 286.335 0.204 10 0 CCAERO O=C(Cc1cccc2cccnc21)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262331990 137038950 /nfs/dbraw/zinc/03/89/50/137038950.db2.gz SIDJVCCORGDNOM-UONOGXRCSA-N 1 0 285.347 0.474 10 0 CCAERO CN1CC[NH2+]C[C@@H]1c1noc(Cc2cccnc2)n1 ZINC000263270655 137062341 /nfs/dbraw/zinc/06/23/41/137062341.db2.gz SDCLSIKWPMLVNB-LLVKDONJSA-N 1 0 259.313 0.632 10 0 CCAERO O[C@H]1C[NH2+]C[C@H]1CNCc1cncc(Br)c1 ZINC000263285407 137063081 /nfs/dbraw/zinc/06/30/81/137063081.db2.gz UYGDPFSNHPMVEO-KOLCDFICSA-N 1 0 286.173 0.514 10 0 CCAERO CCC[C@@H]1CN(C(=O)C2C[NH2+]C2)CC[N@@H+]1CCOC ZINC000263318403 137063704 /nfs/dbraw/zinc/06/37/04/137063704.db2.gz QUCCOTHUNIPOHZ-CYBMUJFWSA-N 1 0 269.389 0.165 10 0 CCAERO C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000315090402 137079259 /nfs/dbraw/zinc/07/92/59/137079259.db2.gz KROIGBJVVMPMQV-IAQYHMDHSA-N 1 0 297.399 0.136 10 0 CCAERO C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000315090400 137079276 /nfs/dbraw/zinc/07/92/76/137079276.db2.gz KROIGBJVVMPMQV-ABAIWWIYSA-N 1 0 297.399 0.136 10 0 CCAERO COC(=O)c1ccc(CNC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263204815 137060504 /nfs/dbraw/zinc/06/05/04/137060504.db2.gz JPRRPERSONQIBR-OLZOCXBDSA-N 1 0 264.325 0.143 10 0 CCAERO Cn1c(CNC[C@H]2C[NH2+]C[C@H]2O)nc2ccccc21 ZINC000263228116 137060976 /nfs/dbraw/zinc/06/09/76/137060976.db2.gz NBXJCKJDGDXWPI-ZWNOBZJWSA-N 1 0 260.341 0.243 10 0 CCAERO O=C(C1=NNC(=O)CC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000037842186 348213462 /nfs/dbraw/zinc/21/34/62/348213462.db2.gz QHBVWAAVTGVDQK-LLVKDONJSA-N 1 0 278.356 0.339 10 0 CCAERO CC[NH+](CC)CCOC(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000040166445 348230876 /nfs/dbraw/zinc/23/08/76/348230876.db2.gz OKDFXMITVCOTKD-LBPRGKRZSA-N 1 0 292.401 0.632 10 0 CCAERO C[C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000120565821 349993827 /nfs/dbraw/zinc/99/38/27/349993827.db2.gz WOXNXEJOYODAEW-AAEUAGOBSA-N 1 0 270.373 0.374 10 0 CCAERO [NH3+]Cc1cn(CCN2C(=O)c3ccccc3C2=O)nn1 ZINC000050224270 348470880 /nfs/dbraw/zinc/47/08/80/348470880.db2.gz YXNLRDNDXKWAQE-UHFFFAOYSA-N 1 0 271.280 0.033 10 0 CCAERO Cc1nnc(CN2CC[NH+](CC(C)C)CC2)n1C ZINC000051993374 348501816 /nfs/dbraw/zinc/50/18/16/348501816.db2.gz BBMADKPQVROXJY-UHFFFAOYSA-N 1 0 251.378 0.897 10 0 CCAERO O=C(CC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21)N1CCOCC1 ZINC000051997091 348502357 /nfs/dbraw/zinc/50/23/57/348502357.db2.gz RXEWXZZZEUTJBC-UONOGXRCSA-N 1 0 282.384 0.879 10 0 CCAERO O=C(C[C@@H]1CCC[NH2+]C1)N[C@@H]1CCCCNC1=O ZINC000054306760 348549533 /nfs/dbraw/zinc/54/95/33/348549533.db2.gz SHIMFCWQOAWLNX-WDEREUQCSA-N 1 0 253.346 0.161 10 0 CCAERO CC(C)(C)OC(=O)NCCCC(=O)N1CC[NH2+]CC1 ZINC000058040634 348620427 /nfs/dbraw/zinc/62/04/27/348620427.db2.gz RDRJEKGXODGJMC-UHFFFAOYSA-N 1 0 271.361 0.723 10 0 CCAERO CC(C)C[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(N)=O ZINC000059968896 348640876 /nfs/dbraw/zinc/64/08/76/348640876.db2.gz RWXSBIZBCGFEOO-STQMWFEESA-N 1 0 293.367 0.278 10 0 CCAERO CNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000104214716 185933752 /nfs/dbraw/zinc/93/37/52/185933752.db2.gz PJBAJRUBOBHLOH-VWYCJHECSA-N 1 0 255.362 0.119 10 0 CCAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000104220514 185934763 /nfs/dbraw/zinc/93/47/63/185934763.db2.gz ZWYHXFVGTKKXNJ-KCJUWKMLSA-N 1 0 283.353 0.128 10 0 CCAERO Cc1cc(NC(=O)CN(C)C(=O)[C@@]2(C)CCC[NH2+]2)no1 ZINC000079517519 349181703 /nfs/dbraw/zinc/18/17/03/349181703.db2.gz UUBZCXITPJGWLQ-CYBMUJFWSA-N 1 0 280.328 0.522 10 0 CCAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)CS(C)(=O)=O ZINC000081900455 349287699 /nfs/dbraw/zinc/28/76/99/349287699.db2.gz CJDOBNXFNQEPTC-VXGBXAGGSA-N 1 0 264.435 0.985 10 0 CCAERO CCN(C(=O)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCC[NH2+]C1 ZINC000104344846 185976196 /nfs/dbraw/zinc/97/61/96/185976196.db2.gz JQFDVUNYHPPXNU-GHMZBOCLSA-N 1 0 274.386 0.022 10 0 CCAERO C[C@H]1CN(C(=O)CNCC(F)(F)F)C[C@H]1[NH+](C)C ZINC000089710323 349402627 /nfs/dbraw/zinc/40/26/27/349402627.db2.gz BBLWCEGWUWZMSL-DTWKUNHWSA-N 1 0 267.295 0.547 10 0 CCAERO C[NH+](C)CCOc1cccc(NC(=O)[C@H]2COCCN2)c1 ZINC000088358822 349361925 /nfs/dbraw/zinc/36/19/25/349361925.db2.gz KHDOSJGSXNOZEU-CQSZACIVSA-N 1 0 293.367 0.554 10 0 CCAERO COC(=O)C1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089449960 349387473 /nfs/dbraw/zinc/38/74/73/349387473.db2.gz SFUCPIDPJWHBQP-NWDGAFQWSA-N 1 0 268.357 0.773 10 0 CCAERO O=C1[C@@H]2C[C@@H]2C(=O)N1CCCOC1CC[NH2+]CC1 ZINC000104384716 185988664 /nfs/dbraw/zinc/98/86/64/185988664.db2.gz NVDZSKXAQDTRCB-PHIMTYICSA-N 1 0 252.314 0.150 10 0 CCAERO Cc1cc(CC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)[nH]n1 ZINC000121375866 350035640 /nfs/dbraw/zinc/03/56/40/350035640.db2.gz SJBVEXBDTZDBOD-RISCZKNCSA-N 1 0 292.383 0.440 10 0 CCAERO C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CN(C)CCO2)C[N@@H+]1C1CC1 ZINC000124914491 350110409 /nfs/dbraw/zinc/11/04/09/350110409.db2.gz PKOFCGGOPMTVFY-YRGRVCCFSA-N 1 0 296.415 0.241 10 0 CCAERO Cc1cc(=O)[nH]cc1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000126053400 350136528 /nfs/dbraw/zinc/13/65/28/350136528.db2.gz VLVZDPWPHNUGCP-LBPRGKRZSA-N 1 0 275.352 0.994 10 0 CCAERO CC[NH+](CC)CC(=O)N[C@H]1CCCn2nc(COC)nc21 ZINC000127210718 350163315 /nfs/dbraw/zinc/16/33/15/350163315.db2.gz MPLXZWPDGOHAQB-NSHDSACASA-N 1 0 295.387 0.717 10 0 CCAERO CCNC(=O)CCCC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000104845393 186028700 /nfs/dbraw/zinc/02/87/00/186028700.db2.gz GXMMCAFHUKVKKR-ZDUSSCGKSA-N 1 0 281.400 0.990 10 0 CCAERO COc1c(CN2CCO[C@@H](C[NH+](C)C)C2)c(C)nn1C ZINC000128083916 350184291 /nfs/dbraw/zinc/18/42/91/350184291.db2.gz OEGYACNHLQBFQE-LBPRGKRZSA-N 1 0 282.388 0.500 10 0 CCAERO CN(CC(C)(C)O)C(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000129577516 350217327 /nfs/dbraw/zinc/21/73/27/350217327.db2.gz GNZSLJBYVIHEDV-GHMZBOCLSA-N 1 0 257.378 0.881 10 0 CCAERO CN1CCO[C@H](CNC(=O)N[C@H](CO)CC(C)(C)C)C1 ZINC000129079025 350204154 /nfs/dbraw/zinc/20/41/54/350204154.db2.gz UCSKBWCJTFRTGR-NWDGAFQWSA-N 1 0 287.404 0.413 10 0 CCAERO CC[N@@H+]1CCC[C@H](CNC(=O)NCCc2nc(C)no2)C1 ZINC000105221731 186047836 /nfs/dbraw/zinc/04/78/36/186047836.db2.gz OFGJGEOJLPLSKQ-GFCCVEGCSA-N 1 0 295.387 0.952 10 0 CCAERO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCNC(=O)CC2)C1 ZINC000105273093 186048984 /nfs/dbraw/zinc/04/89/84/186048984.db2.gz BDCJHGGBQCDLKO-ZDUSSCGKSA-N 1 0 296.415 0.638 10 0 CCAERO CCN(C)C(=O)CC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000130441489 350237754 /nfs/dbraw/zinc/23/77/54/350237754.db2.gz ORHCKHSPCMWJSQ-ZDUSSCGKSA-N 1 0 279.388 0.859 10 0 CCAERO Cn1ccc(NC(=O)C(C)(C)N2CC[NH2+]CC2)n1 ZINC000131233979 350268794 /nfs/dbraw/zinc/26/87/94/350268794.db2.gz AYKNNWVNLXEMJX-UHFFFAOYSA-N 1 0 251.334 0.042 10 0 CCAERO Nc1cc(Br)cc(C(=O)NCC[NH3+])c1 ZINC000133410852 350334945 /nfs/dbraw/zinc/33/49/45/350334945.db2.gz MAELJWDAEJJDLL-UHFFFAOYSA-N 1 0 258.119 0.720 10 0 CCAERO CC(C)Oc1cncc(NC[C@H]2C[NH2+]CCO2)n1 ZINC000134274499 350359307 /nfs/dbraw/zinc/35/93/07/350359307.db2.gz GQUALTZXVDRNJZ-SNVBAGLBSA-N 1 0 252.318 0.664 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)c1ncnc(N)c1OC ZINC000134918212 350379397 /nfs/dbraw/zinc/37/93/97/350379397.db2.gz ZELBHVULOQRGJE-JTQLQIEISA-N 1 0 265.361 0.988 10 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283.416 0.554 10 0 CCAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)NCc1cccs1 ZINC000105933543 186092979 /nfs/dbraw/zinc/09/29/79/186092979.db2.gz SSVRCUDTIZHGIH-RYUDHWBXSA-N 1 0 297.424 0.673 10 0 CCAERO CC(C)(C)OC(=O)N[C@H]1CCS(=O)(=O)C[C@H]1[NH3+] ZINC000142585063 350457111 /nfs/dbraw/zinc/45/71/11/350457111.db2.gz POPSAHJDHHOFHE-SFYZADRCSA-N 1 0 264.347 0.026 10 0 CCAERO O=C1CCC(=O)N1CC[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000105898751 186085459 /nfs/dbraw/zinc/08/54/59/186085459.db2.gz SXEUPUCNFQEJLB-LLVKDONJSA-N 1 0 277.328 0.064 10 0 CCAERO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000106534506 186125543 /nfs/dbraw/zinc/12/55/43/186125543.db2.gz YIXJMNQWXUUYGO-MCIONIFRSA-N 1 0 298.431 0.489 10 0 CCAERO CN1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1=O ZINC000106788207 186135218 /nfs/dbraw/zinc/13/52/18/186135218.db2.gz XAYIKXYSUYMREK-CHWSQXEVSA-N 1 0 293.411 0.988 10 0 CCAERO CCC[NH+]1CCC(NC(=O)NC[C@@H]2CN(C)CCO2)CC1 ZINC000107327324 186169884 /nfs/dbraw/zinc/16/98/84/186169884.db2.gz KUYWVAFGWPBSDH-CQSZACIVSA-N 1 0 298.431 0.491 10 0 CCAERO C[C@@H](NC(=O)c1ccco1)C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000151148235 350494588 /nfs/dbraw/zinc/49/45/88/350494588.db2.gz KHVKDMMEAYAGHH-NEPJUHHUSA-N 1 0 293.367 0.951 10 0 CCAERO CC(C)C[C@H](CNC(=O)c1ccnnc1)N1CCOCC1 ZINC000154109382 350575500 /nfs/dbraw/zinc/57/55/00/350575500.db2.gz IMHHDVRWVSXOPU-CQSZACIVSA-N 1 0 292.383 0.953 10 0 CCAERO O=C(C[NH2+]C1CC1)N1CCC(Cn2cccn2)CC1 ZINC000154656229 350595454 /nfs/dbraw/zinc/59/54/54/350595454.db2.gz ISBBQTWABNRREB-UHFFFAOYSA-N 1 0 262.357 0.874 10 0 CCAERO Cc1nc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c(=O)[nH]c1C ZINC000155099982 350610385 /nfs/dbraw/zinc/61/03/85/350610385.db2.gz CRFSGCFMVLTVDM-LBPRGKRZSA-N 1 0 290.367 0.697 10 0 CCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCC2CCSCC2)C1 ZINC000158527543 350660621 /nfs/dbraw/zinc/66/06/21/350660621.db2.gz NDABUEKXOGRCBS-GHMZBOCLSA-N 1 0 258.387 0.623 10 0 CCAERO C[N@@H+]1CC[C@@H](CNC(=O)c2csc(-c3nc[nH]n3)n2)C1 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C[C@H](OC[C@@H]1CCCO1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170854837 350867790 /nfs/dbraw/zinc/86/77/90/350867790.db2.gz DPFUCRLFHXYGLY-AVGNSLFASA-N 1 0 270.373 0.733 10 0 CCAERO O=C(c1cnccn1)N1CCC([C@@H]2C[NH2+]C[C@H]2CO)CC1 ZINC000169788971 350839933 /nfs/dbraw/zinc/83/99/33/350839933.db2.gz RJYNZYJECOBJIV-STQMWFEESA-N 1 0 290.367 0.157 10 0 CCAERO C[NH+](C)[C@H]1CCN(C(=O)NCc2cscn2)C1 ZINC000170835501 350866920 /nfs/dbraw/zinc/86/69/20/350866920.db2.gz LXXWIPSAYCIZPF-JTQLQIEISA-N 1 0 254.359 0.989 10 0 CCAERO Cn1cc([C@@H]2CCC[N@@H+]2CCCC(=O)NC(N)=O)cn1 ZINC000171410520 350906882 /nfs/dbraw/zinc/90/68/82/350906882.db2.gz UJBHIZRPNHTYAS-NSHDSACASA-N 1 0 279.344 0.532 10 0 CCAERO Cc1cc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)no1 ZINC000171586514 350918062 /nfs/dbraw/zinc/91/80/62/350918062.db2.gz SWTLRGHEVKWLAM-JTQLQIEISA-N 1 0 278.312 0.228 10 0 CCAERO Cn1cnnc1SCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171587079 350918661 /nfs/dbraw/zinc/91/86/61/350918661.db2.gz GYFQDYAJBQLKFR-SNVBAGLBSA-N 1 0 281.385 0.214 10 0 CCAERO Cn1c(CN2CC[N@@H+]3CCC[C@@H]3C2)nnc1C1CC1 ZINC000171638117 350923369 /nfs/dbraw/zinc/92/33/69/350923369.db2.gz KDQZYGOEZOCIIV-GFCCVEGCSA-N 1 0 261.373 0.973 10 0 CCAERO CC(C)CNC(=O)NC(=O)[C@H](C)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171640006 350923954 /nfs/dbraw/zinc/92/39/54/350923954.db2.gz QOJFYQNCFRVRHK-QWHCGFSZSA-N 1 0 296.415 0.637 10 0 CCAERO C[NH+](C)C[C@@H]1CN(CC(=O)NCc2ccccc2)CCO1 ZINC000111690708 186443762 /nfs/dbraw/zinc/44/37/62/186443762.db2.gz OCPVBNDZKQMIDU-OAHLLOKOSA-N 1 0 291.395 0.565 10 0 CCAERO COCCCCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171901084 350941195 /nfs/dbraw/zinc/94/11/95/350941195.db2.gz NOTKWUIXBLPBPQ-LBPRGKRZSA-N 1 0 255.362 0.903 10 0 CCAERO CC(C)C(=O)NCCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171898234 350941331 /nfs/dbraw/zinc/94/13/31/350941331.db2.gz ZIEACCLCWFVZHZ-LBPRGKRZSA-N 1 0 282.388 0.248 10 0 CCAERO C[NH+](C)C[C@@H]1CN(C(=O)C[C@@H]2CCCO2)CCO1 ZINC000172308099 350975599 /nfs/dbraw/zinc/97/55/99/350975599.db2.gz 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/nfs/dbraw/zinc/06/24/02/351062402.db2.gz PFYSHRPAWURTAS-NWDGAFQWSA-N 1 0 285.388 0.920 10 0 CCAERO CCCNC(=O)NC(=O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172801793 351010403 /nfs/dbraw/zinc/01/04/03/351010403.db2.gz IYSLSPZYGBNHKW-GFCCVEGCSA-N 1 0 282.388 0.392 10 0 CCAERO C[C@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)c1cccnc1 ZINC000174924117 351110999 /nfs/dbraw/zinc/11/09/99/351110999.db2.gz RQIHOAZXZATFJO-JSGCOSHPSA-N 1 0 277.368 0.974 10 0 CCAERO O=C([C@@H]1CSC(=O)N1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000174663314 351097601 /nfs/dbraw/zinc/09/76/01/351097601.db2.gz LUIVNQDLDKZFBL-BDAKNGLRSA-N 1 0 255.343 0.118 10 0 CCAERO C[NH+](C)C[C@H]1CN(C(=O)CC[C@@H]2CCOC2)CCO1 ZINC000176093401 351157097 /nfs/dbraw/zinc/15/70/97/351157097.db2.gz YIJWSFDSNYFNKQ-OLZOCXBDSA-N 1 0 270.373 0.592 10 0 CCAERO COC(C)(C)C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000176449314 351175369 /nfs/dbraw/zinc/17/53/69/351175369.db2.gz AKDJBWIBJYMKKD-GFCCVEGCSA-N 1 0 286.416 0.963 10 0 CCAERO COC(=O)CCCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000176837492 351186567 /nfs/dbraw/zinc/18/65/67/351186567.db2.gz COCXPWFJCYUFOV-RYUDHWBXSA-N 1 0 285.388 0.968 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC000176982543 351190279 /nfs/dbraw/zinc/19/02/79/351190279.db2.gz CDCQXUKYSNNMPW-STQMWFEESA-N 1 0 269.389 0.260 10 0 CCAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCCC(N)=O ZINC000175438079 351130076 /nfs/dbraw/zinc/13/00/76/351130076.db2.gz GSPPRMBRBUOTAQ-GFCCVEGCSA-N 1 0 263.341 0.151 10 0 CCAERO C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000175589595 351135361 /nfs/dbraw/zinc/13/53/61/351135361.db2.gz LHLIFHSBTQTAKF-AGIUHOORSA-N 1 0 269.389 0.116 10 0 CCAERO CCC(=O)N1CC[C@H](C(=O)N2CCC[N@@H+](C3CC3)CC2)C1 ZINC000178509723 351233350 /nfs/dbraw/zinc/23/33/50/351233350.db2.gz OKMSVHHCRCWGJN-ZDUSSCGKSA-N 1 0 293.411 0.942 10 0 CCAERO CCNC(=O)CC[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000177220100 351197595 /nfs/dbraw/zinc/19/75/95/351197595.db2.gz HHFDYQLWKGTURU-QWHCGFSZSA-N 1 0 269.389 0.165 10 0 CCAERO CCC[C@@H](NC(N)=O)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000177280654 351199452 /nfs/dbraw/zinc/19/94/52/351199452.db2.gz BNVYYKHYOHUJLQ-NWDGAFQWSA-N 1 0 282.388 0.520 10 0 CCAERO C[S@](=O)CCC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000179219587 351261719 /nfs/dbraw/zinc/26/17/19/351261719.db2.gz WTVZAUGNQGKFGJ-XIKOKIGWSA-N 1 0 272.414 0.842 10 0 CCAERO C[C@@H]1CN(C(=O)CN2CC[N@@H+]3CCCC[C@@H]3C2)C[C@@H](C)O1 ZINC000177780829 351212899 /nfs/dbraw/zinc/21/28/99/351212899.db2.gz HQHSCEWHPYITMV-RBSFLKMASA-N 1 0 295.427 0.792 10 0 CCAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCCOC(N)=O ZINC000181184405 351305455 /nfs/dbraw/zinc/30/54/55/351305455.db2.gz WLYVNZYGVGPTFP-GFCCVEGCSA-N 1 0 279.340 0.371 10 0 CCAERO CCC[C@@H](C(=O)N1CCC[C@H](OCCO)C1)[NH+](C)C ZINC000179884129 351278690 /nfs/dbraw/zinc/27/86/90/351278690.db2.gz ZQRIFJLVFFKMFN-STQMWFEESA-N 1 0 272.389 0.717 10 0 CCAERO C[C@@H]1CCCN1S(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000184990916 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C[NH+](C)C[C@H]1CN(C(=O)[C@@H](O)C2CCCCC2)CCO1 ZINC000363892893 357068911 /nfs/dbraw/zinc/06/89/11/357068911.db2.gz NGYRKDUQEAMUKS-KBPBESRZSA-N 1 0 284.400 0.717 10 0 CCAERO CCCCN1CCOC[C@H]1C(=O)N1CC[C@](C)(O)C1 ZINC000364587229 357122887 /nfs/dbraw/zinc/12/28/87/357122887.db2.gz BIDMWOPCLVAICR-JSGCOSHPSA-N 1 0 270.373 0.471 10 0 CCAERO Cc1ccc(OCC(=O)N2CCO[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000366978468 357262839 /nfs/dbraw/zinc/26/28/39/357262839.db2.gz ZILQFTQMXWFRJF-KGLIPLIRSA-N 1 0 276.336 0.573 10 0 CCAERO CN1C[C@H](C(=O)Nc2cccc3c2C[NH2+]CC3)CC1=O ZINC000375939138 357416457 /nfs/dbraw/zinc/41/64/57/357416457.db2.gz XUTCVTOMNLJLFQ-LLVKDONJSA-N 1 0 273.336 0.749 10 0 CCAERO CC(C)n1ccnc1CN1CCC[N@H+](CCO)CC1 ZINC000377987560 357638350 /nfs/dbraw/zinc/63/83/50/357638350.db2.gz FJCYZIZSZOVQKR-UHFFFAOYSA-N 1 0 266.389 0.964 10 0 CCAERO NC(=O)c1cccc(C[NH2+][C@@H]2CCCN(CCO)C2)c1 ZINC000384332321 357720881 /nfs/dbraw/zinc/72/08/81/357720881.db2.gz AQVBETTVCRIAPF-CQSZACIVSA-N 1 0 277.368 0.332 10 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CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N[C@@H](C)C2)C1 ZINC000408204750 357968900 /nfs/dbraw/zinc/96/89/00/357968900.db2.gz OUBUMFRMNPHZFZ-YNEHKIRRSA-N 1 0 281.400 0.844 10 0 CCAERO C[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12)[NH+](C)C ZINC000408216571 357976205 /nfs/dbraw/zinc/97/62/05/357976205.db2.gz WSSMZVRQZJDDRE-WRWGMCAJSA-N 1 0 256.346 0.104 10 0 CCAERO Cc1nnc(CN2CCC[C@@H](C(=O)N3CCCC3)C2)n1C ZINC000408224546 357979694 /nfs/dbraw/zinc/97/96/94/357979694.db2.gz HOISSKBLUIAGFE-CYBMUJFWSA-N 1 0 291.399 0.958 10 0 CCAERO CC[N@@H+]1CCCN(C(=O)c2cc(=O)[nH]c(N(C)C)n2)CC1 ZINC000408241949 357987968 /nfs/dbraw/zinc/98/79/68/357987968.db2.gz OMDVFUNOAJEEGQ-UHFFFAOYSA-N 1 0 293.371 0.416 10 0 CCAERO CC(=O)N1CC[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000408302539 358022449 /nfs/dbraw/zinc/02/24/49/358022449.db2.gz GQAGWVBTUNTICF-XBFCOCLRSA-N 1 0 296.415 0.589 10 0 CCAERO C[C@H](CNC(=O)N1CCO[C@@H](CO)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000408379266 358063386 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CN(CCn1cccn1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000568107335 358634850 /nfs/dbraw/zinc/63/48/50/358634850.db2.gz JXHHMQYAPPTOTF-LBPRGKRZSA-N 1 0 250.346 0.731 10 0 CCAERO NC(=[NH2+])NCCN1CCN(c2ccc(Cl)cc2)CC1 ZINC000584604894 359178562 /nfs/dbraw/zinc/17/85/62/359178562.db2.gz BIEWCVDTVLCCJG-UHFFFAOYSA-N 1 0 281.791 0.945 10 0 CCAERO CC(C)(C)S(=O)(=O)N[C@H]1CC(F)(F)C[C@@H]1[NH3+] ZINC000584627145 359183107 /nfs/dbraw/zinc/18/31/07/359183107.db2.gz KAERCXSUTOLGFD-BQBZGAKWSA-N 1 0 256.318 0.829 10 0 CCAERO COC(=O)C1=C[C@@H]2[C@@H]3C=CC=C[C@H]3[NH2+][C@H]2N1C(=O)OC ZINC000585138950 359251490 /nfs/dbraw/zinc/25/14/90/359251490.db2.gz PXIPQEYZOMLREB-XNDJQWLSSA-N 1 0 276.292 0.782 10 0 CCAERO CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2C[NH2+]CCOC2)C1 ZINC000591634788 359620528 /nfs/dbraw/zinc/62/05/28/359620528.db2.gz ZFXIIYYNRGTNPK-RYUDHWBXSA-N 1 0 284.356 0.024 10 0 CCAERO COC(=O)C1CCC(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000591675216 359635188 /nfs/dbraw/zinc/63/51/88/359635188.db2.gz RDACLZGMQYKEQL-BFUDSRACSA-N 1 0 268.357 0.962 10 0 CCAERO O=C([C@@H]1CC(F)(F)CN1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000334155289 295998934 /nfs/dbraw/zinc/99/89/34/295998934.db2.gz UWWXDXRXKRFSSH-ONGXEEELSA-N 1 0 259.300 0.196 10 0 CCAERO COC(=O)C[C@@H]1CN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CCO1 ZINC000592559956 359888519 /nfs/dbraw/zinc/88/85/19/359888519.db2.gz PLGIGUYRQPBGMV-UTUOFQBUSA-N 1 0 284.356 0.152 10 0 CCAERO CCn1cc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000176662291 189003271 /nfs/dbraw/zinc/00/32/71/189003271.db2.gz YBFUTXZGGITVJG-LBPRGKRZSA-N 1 0 291.355 0.148 10 0 CCAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2cc[nH]n2)CC1 ZINC000176892442 189013045 /nfs/dbraw/zinc/01/30/45/189013045.db2.gz PPMGZLFNRUUXGT-NSHDSACASA-N 1 0 280.372 0.575 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC000176990319 189019134 /nfs/dbraw/zinc/01/91/34/189019134.db2.gz RACOYCUZPBQPJX-VXGBXAGGSA-N 1 0 290.367 0.812 10 0 CCAERO Cn1cncc1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000177065634 189026094 /nfs/dbraw/zinc/02/60/94/189026094.db2.gz YHVPLKVRWNAXGJ-GFCCVEGCSA-N 1 0 260.345 0.924 10 0 CCAERO Cc1ccncc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177689572 189063207 /nfs/dbraw/zinc/06/32/07/189063207.db2.gz AAIFGWIHLJPKLA-GFCCVEGCSA-N 1 0 288.351 0.635 10 0 CCAERO NS(=O)(=O)c1ccc(N[C@H]2CCCC[C@H]2[NH3+])nc1 ZINC000038050673 283556723 /nfs/dbraw/zinc/55/67/23/283556723.db2.gz XRKIKHAPRXGRCC-ZJUUUORDSA-N 1 0 270.358 0.411 10 0 CCAERO COC(=O)c1ccc(NCC23CC(C2)C[NH2+]3)nc1C ZINC000596027270 360778442 /nfs/dbraw/zinc/77/84/42/360778442.db2.gz RHUPXERHQRVGLE-UHFFFAOYSA-N 1 0 261.325 0.762 10 0 CCAERO O=S1(=O)CCCC[C@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000563635524 291244205 /nfs/dbraw/zinc/24/42/05/291244205.db2.gz KQCVTFIZUPYRBC-QJPTWQEYSA-N 1 0 261.387 0.847 10 0 CCAERO COC(=O)c1coc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)c1 ZINC000597214757 361032310 /nfs/dbraw/zinc/03/23/10/361032310.db2.gz ZDTVLXCSQCUJQQ-VIFPVBQESA-N 1 0 266.297 0.634 10 0 CCAERO 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O[C@]1(Cn2cc(I)cn2)CC[NH2+]C1 ZINC000575458214 397580948 /nfs/dbraw/zinc/58/09/48/397580948.db2.gz FYBORTZMRGACEC-MRVPVSSYSA-N 1 0 293.108 0.212 10 0 CCAERO C[C@H](NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C(=O)N1CCOCC1 ZINC000408222839 397523261 /nfs/dbraw/zinc/52/32/61/397523261.db2.gz RNHUWMXNYVFTER-AVGNSLFASA-N 1 0 297.399 0.223 10 0 CCAERO Cc1ccc(F)cc1S(=O)(=O)NCCOCC[NH3+] ZINC000104320666 292124085 /nfs/dbraw/zinc/12/40/85/292124085.db2.gz ASEGNZBOQBIOHX-UHFFFAOYSA-N 1 0 276.333 0.388 10 0 CCAERO CCOCCC(=O)N1C[C@@H]([NH3+])C[C@H]1C(=O)N(CC)CC ZINC000067722972 286036977 /nfs/dbraw/zinc/03/69/77/286036977.db2.gz SJFNUICSODOURV-RYUDHWBXSA-N 1 0 285.388 0.210 10 0 CCAERO CO[C@H]1C[C@H](C(=O)N2CCC[C@@H]([NH+](C)C)C2)N(C(C)=O)C1 ZINC000408269575 286103347 /nfs/dbraw/zinc/10/33/47/286103347.db2.gz KJTUICUGMQRNEC-HZSPNIEDSA-N 1 0 297.399 0.175 10 0 CCAERO CN1C[C@H](CNC(=O)Nc2cccc(C[NH3+])c2)CC1=O ZINC000659017805 413256257 /nfs/dbraw/zinc/25/62/57/413256257.db2.gz IQLCJSFZYFCLPM-NSHDSACASA-N 1 0 276.340 0.745 10 0 CCAERO C[C@@H]1CC[C@H](C(=O)N2CCO[C@H](C[NH+](C)C)C2)O1 ZINC000155202409 296674936 /nfs/dbraw/zinc/67/49/36/296674936.db2.gz KQQRNJXHCWFFOZ-IJLUTSLNSA-N 1 0 256.346 0.343 10 0 CCAERO CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2ncnn2C1 ZINC000246000155 286626657 /nfs/dbraw/zinc/62/66/57/286626657.db2.gz GEPLZFZJAWWJHD-QJPTWQEYSA-N 1 0 298.412 0.538 10 0 CCAERO C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1nnc2n1CCC2 ZINC000089451509 286991043 /nfs/dbraw/zinc/99/10/43/286991043.db2.gz RMNNITVSDCJIOX-GMTAPVOTSA-N 1 0 277.372 0.777 10 0 CCAERO CN1CCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CCC1=O ZINC000659374166 413457173 /nfs/dbraw/zinc/45/71/73/413457173.db2.gz HZWSZVKTOYBCTQ-MNOVXSKESA-N 1 0 253.346 0.052 10 0 CCAERO COc1cccnc1N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000128347889 411716827 /nfs/dbraw/zinc/71/68/27/411716827.db2.gz FPOWXEMEHHFPQS-NSHDSACASA-N 1 0 278.356 0.382 10 0 CCAERO C[C@H](NC(=O)[C@H]1CC[NH2+]C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000062113113 411687585 /nfs/dbraw/zinc/68/75/85/411687585.db2.gz WLSLKQGWNWUAMF-WPRPVWTQSA-N 1 0 274.324 0.643 10 0 CCAERO CC(C)([NH3+])c1cn(CC(=O)NCC(F)(F)F)nn1 ZINC000070118778 411690189 /nfs/dbraw/zinc/69/01/89/411690189.db2.gz XPIVHKNAXIPKDS-UHFFFAOYSA-N 1 0 265.239 0.150 10 0 CCAERO CCCCNC(=O)[C@@H](C)n1cc(C(C)(C)[NH3+])nn1 ZINC000070117977 411690319 /nfs/dbraw/zinc/69/03/19/411690319.db2.gz JHQDLZNYDWJCDD-SECBINFHSA-N 1 0 253.350 0.949 10 0 CCAERO C[C@@H](NC(=O)CC[C@H](C)[NH3+])c1ccc(S(N)(=O)=O)cc1 ZINC000070315328 411692992 /nfs/dbraw/zinc/69/29/92/411692992.db2.gz WZSZBTMYRQQIBN-VHSXEESVSA-N 1 0 299.396 0.639 10 0 CCAERO CC(C)Cc1nnc(NC(=O)CN2CC[NH2+]CC2)s1 ZINC000219686193 411736914 /nfs/dbraw/zinc/73/69/14/411736914.db2.gz OXKVJFXXTVBVOZ-UHFFFAOYSA-N 1 0 283.401 0.580 10 0 CCAERO CC[C@@H]1CN(C(=O)C2([NH3+])CCOCC2)[C@H](C)CO1 ZINC000403949236 411790237 /nfs/dbraw/zinc/79/02/37/411790237.db2.gz LAAWYEJIWWFQEB-GHMZBOCLSA-N 1 0 256.346 0.520 10 0 CCAERO CN(C[C@H]1CCCO1)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131259677 411723452 /nfs/dbraw/zinc/72/34/52/411723452.db2.gz SSUADLDICPIGOM-GFCCVEGCSA-N 1 0 269.389 0.308 10 0 CCAERO CC(C)Oc1cncc(N2CCO[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000132943178 411727088 /nfs/dbraw/zinc/72/70/88/411727088.db2.gz NSKLNXAUDQCGMN-GHMZBOCLSA-N 1 0 266.345 0.816 10 0 CCAERO CCO[C@@H]1CN(c2ncnc3c2cnn3C)C[C@H]1C[NH3+] ZINC000405894499 411803054 /nfs/dbraw/zinc/80/30/54/411803054.db2.gz YDKNPXKXYFHEHO-MWLCHTKSSA-N 1 0 276.344 0.163 10 0 CCAERO [NH3+]C[C@@H](O)CN1C(=O)C(=O)c2ccc(Br)cc21 ZINC000019408668 170788265 /nfs/dbraw/zinc/78/82/65/170788265.db2.gz BYVMDFAORHKUBW-SSDOTTSWSA-N 1 0 299.124 0.298 10 0 CCAERO CCc1cccc(OC[C@@H](O)CN2CC[NH2+]CC2)c1 ZINC000019668736 170834537 /nfs/dbraw/zinc/83/45/37/170834537.db2.gz PNLMEZAQWZDAMF-AWEZNQCLSA-N 1 0 264.369 0.894 10 0 CCAERO Cn1nnnc1SCc1ccc(C(N)=[NH2+])cc1F ZINC000019848010 170897212 /nfs/dbraw/zinc/89/72/12/170897212.db2.gz YXKCJBHKQZADGM-UHFFFAOYSA-N 1 0 266.305 0.926 10 0 CCAERO CCO[C@@H]1CN(Cc2nnc(CC)n2C)C[C@H]1C[NH3+] ZINC000652356492 412035835 /nfs/dbraw/zinc/03/58/35/412035835.db2.gz NKYWWBNFAIMBMK-GHMZBOCLSA-N 1 0 267.377 0.173 10 0 CCAERO O=C(CCCNC(=O)c1cccnc1)N1CC[NH2+]CC1 ZINC000020184342 171047002 /nfs/dbraw/zinc/04/70/02/171047002.db2.gz CZAPJTVSAWJOBP-UHFFFAOYSA-N 1 0 276.340 0.023 10 0 CCAERO [NH3+]C[C@@H](c1ccc(Cl)cc1)N1CCN(CCO)CC1 ZINC000020225997 171089357 /nfs/dbraw/zinc/08/93/57/171089357.db2.gz PAAZYGGMLAMBBZ-AWEZNQCLSA-N 1 0 283.803 0.950 10 0 CCAERO COc1ccccc1[C@@H](C[NH3+])N1CCN(CCO)CC1 ZINC000020225746 171089982 /nfs/dbraw/zinc/08/99/82/171089982.db2.gz AMUKRKHUINKLKG-CQSZACIVSA-N 1 0 279.384 0.305 10 0 CCAERO COc1ccc(N(CCC[NH3+])S(C)(=O)=O)cc1 ZINC000020233788 171095566 /nfs/dbraw/zinc/09/55/66/171095566.db2.gz NSIQRDOQAFSZKH-UHFFFAOYSA-N 1 0 258.343 0.810 10 0 CCAERO COCCCNC(=O)[C@H](C)NCC(C)(C)C[NH+](C)C ZINC000020365865 171164579 /nfs/dbraw/zinc/16/45/79/171164579.db2.gz FKPFOWSVUDFDQM-LBPRGKRZSA-N 1 0 273.421 0.705 10 0 CCAERO CO[C@H]1C[C@@H](C(N)=O)N(Cc2ccc(CO)cc2)C1 ZINC000284642919 196101747 /nfs/dbraw/zinc/10/17/47/196101747.db2.gz MTDFOOBMQQKVJY-STQMWFEESA-N 1 0 264.325 0.254 10 0 CCAERO O=C(Nc1cccc2cccnc21)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000020433936 171199276 /nfs/dbraw/zinc/19/92/76/171199276.db2.gz BSZXYYMHZJICSA-JQWIXIFHSA-N 1 0 257.293 0.896 10 0 CCAERO COc1cc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc(OC)c1 ZINC000020434084 171199986 /nfs/dbraw/zinc/19/99/86/171199986.db2.gz KRQJAHRBLSFCRN-SKDRFNHKSA-N 1 0 266.297 0.365 10 0 CCAERO Cc1nn(C)c(N(C)C2CC[NH+](C)CC2)c1CO ZINC000020468102 171209960 /nfs/dbraw/zinc/20/99/60/171209960.db2.gz OZYQNQCVFFVHCQ-UHFFFAOYSA-N 1 0 252.362 0.751 10 0 CCAERO CNC(=O)NC(=O)[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC000020473546 171217657 /nfs/dbraw/zinc/21/76/57/171217657.db2.gz JXVXYISNZYLMOX-QMMMGPOBSA-N 1 0 253.277 0.759 10 0 CCAERO C[NH+](C)CCNS(=O)(=O)c1ccc(Cl)cc1N ZINC000021034202 171292220 /nfs/dbraw/zinc/29/22/20/171292220.db2.gz DCSJCTHTSZXMLR-UHFFFAOYSA-N 1 0 277.777 0.762 10 0 CCAERO COc1ccc(C(=O)CN2CC[NH2+]CC2)c(OC)c1 ZINC000022791512 171398900 /nfs/dbraw/zinc/39/89/00/171398900.db2.gz HGLGKJXLOXDHPG-UHFFFAOYSA-N 1 0 264.325 0.792 10 0 CCAERO CC(C)O[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000653198627 412257175 /nfs/dbraw/zinc/25/71/75/412257175.db2.gz FZVTVPAVMQFLIJ-CHWSQXEVSA-N 1 0 270.373 0.638 10 0 CCAERO C[C@@H]1C[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CO1 ZINC000653168259 412250820 /nfs/dbraw/zinc/25/08/20/412250820.db2.gz VPFINJYQPYTNEP-BZNPZCIMSA-N 1 0 266.263 0.678 10 0 CCAERO CNS(=O)(=O)c1ccc(NC2CC[NH2+]CC2)cc1 ZINC000035062141 171963479 /nfs/dbraw/zinc/96/34/79/171963479.db2.gz WHPZMOIWLRRWOU-UHFFFAOYSA-N 1 0 269.370 0.759 10 0 CCAERO C[C@@H]([NH2+][C@@H](C)C(N)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000035139804 172008063 /nfs/dbraw/zinc/00/80/63/172008063.db2.gz YWFXDGWKZGUAHY-BDAKNGLRSA-N 1 0 270.354 0.615 10 0 CCAERO Cc1cc(CO)oc1C(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000285070843 196190241 /nfs/dbraw/zinc/19/02/41/196190241.db2.gz RMGMAZDOYNMASY-CHWSQXEVSA-N 1 0 294.351 0.625 10 0 CCAERO COCc1cc([C@@H](C)[NH2+]CC(N)=O)ccc1OC ZINC000035660568 172338152 /nfs/dbraw/zinc/33/81/52/172338152.db2.gz GOBVYLQZSSJDFB-SECBINFHSA-N 1 0 252.314 0.978 10 0 CCAERO CO[C@H]1C[NH2+]C[C@H]1NC(=O)c1c[nH]c2ccccc21 ZINC000036236073 172533315 /nfs/dbraw/zinc/53/33/15/172533315.db2.gz JXISMTAXGQFVLP-OLZOCXBDSA-N 1 0 259.309 0.885 10 0 CCAERO CC(C)[NH2+]C[C@@H](O)CSc1nnnn1C1CC1 ZINC000036951407 172825238 /nfs/dbraw/zinc/82/52/38/172825238.db2.gz QFKZKUGQNGZWOK-SECBINFHSA-N 1 0 257.363 0.459 10 0 CCAERO O=C([C@H]1CCC[NH2+]1)N1CCN(Cc2ccco2)CC1 ZINC000037497736 173236644 /nfs/dbraw/zinc/23/66/44/173236644.db2.gz ZYLJRCFNOVAAGL-CYBMUJFWSA-N 1 0 263.341 0.676 10 0 CCAERO CC[NH2+]C1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000037536979 173256374 /nfs/dbraw/zinc/25/63/74/173256374.db2.gz NQODABWNYMTGQS-GFCCVEGCSA-N 1 0 269.389 0.308 10 0 CCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1C(=O)OC ZINC000037804379 173744644 /nfs/dbraw/zinc/74/46/44/173744644.db2.gz JXCCBUMHBZFANZ-HBNTYKKESA-N 1 0 256.346 0.914 10 0 CCAERO Cc1ccc(C(=O)NCC[NH2+][C@@H]2COC[C@@H]2O)cc1 ZINC000037902796 173834308 /nfs/dbraw/zinc/83/43/08/173834308.db2.gz ZYMSEPVEVMHVIC-OLZOCXBDSA-N 1 0 264.325 0.074 10 0 CCAERO CN(C)S(=O)(=O)N1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000037916400 173851539 /nfs/dbraw/zinc/85/15/39/173851539.db2.gz BBBSISYQTFRANP-GHMZBOCLSA-N 1 0 261.391 0.257 10 0 CCAERO O=C(NCc1ccncc1)[C@H]1CCCN1C1CC[NH2+]CC1 ZINC000038043000 174048761 /nfs/dbraw/zinc/04/87/61/174048761.db2.gz TUYWUUPEKQYVGW-OAHLLOKOSA-N 1 0 288.395 0.914 10 0 CCAERO Cc1nc(C)c([C@@H](C)[NH2+]C[C@H]2COCCO2)c(=O)[nH]1 ZINC000038061172 174072314 /nfs/dbraw/zinc/07/23/14/174072314.db2.gz ZAZLBDXYYFLCRW-KCJUWKMLSA-N 1 0 267.329 0.453 10 0 CCAERO C[NH2+]Cc1ccc(O[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000038084462 174094334 /nfs/dbraw/zinc/09/43/34/174094334.db2.gz YPOPYOZQCFUJBW-GFCCVEGCSA-N 1 0 255.339 0.972 10 0 CCAERO C[NH2+]Cc1cccc(OC)c1O[C@H]1CCS(=O)(=O)C1 ZINC000038084625 174095144 /nfs/dbraw/zinc/09/51/44/174095144.db2.gz OGNAZAKFWXYJOF-NSHDSACASA-N 1 0 285.365 0.981 10 0 CCAERO Cc1nnc(C[NH2+]C2CCC(C(N)=O)CC2)n1C ZINC000038091844 174105891 /nfs/dbraw/zinc/10/58/91/174105891.db2.gz CVUWIBXMFOZEPB-UHFFFAOYSA-N 1 0 251.334 0.257 10 0 CCAERO C[C@@H]1c2ccsc2CCN1C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000038100901 174115925 /nfs/dbraw/zinc/11/59/25/174115925.db2.gz RZSPDLFOAOCIHA-WCABBAIRSA-N 1 0 266.366 0.917 10 0 CCAERO COC(=O)C[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])C(C)C ZINC000038101902 174118254 /nfs/dbraw/zinc/11/82/54/174118254.db2.gz HYQMEIIXYQSJIL-JQWIXIFHSA-N 1 0 256.346 0.914 10 0 CCAERO CC[C@H](C[NH3+])NS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000040367067 174248876 /nfs/dbraw/zinc/24/88/76/174248876.db2.gz XIGKCMFEBUNGGJ-SNVBAGLBSA-N 1 0 285.369 0.661 10 0 CCAERO CC(C)[C@H](NC(=O)c1cc2c(s1)CC[NH2+]C2)C(N)=O ZINC000662450960 414719544 /nfs/dbraw/zinc/71/95/44/414719544.db2.gz WRWDFZAWWBVXOC-NSHDSACASA-N 1 0 281.381 0.634 10 0 CCAERO C[C@H](C(=O)N[C@@H]1CCNC1=O)[C@@H]([NH3+])c1ccccc1 ZINC000662586031 414730385 /nfs/dbraw/zinc/73/03/85/414730385.db2.gz DINVRTUMDSRSGA-MVWJERBFSA-N 1 0 261.325 0.327 10 0 CCAERO O=C(c1nc[nH]n1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662587385 414730498 /nfs/dbraw/zinc/73/04/98/414730498.db2.gz BXXLAPYPZBJBNB-LLVKDONJSA-N 1 0 263.345 0.657 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)NCCC1(CS(C)(=O)=O)CC1 ZINC000662617256 414732916 /nfs/dbraw/zinc/73/29/16/414732916.db2.gz MTYPNOWATZPIFO-LLVKDONJSA-N 1 0 290.429 0.691 10 0 CCAERO C[C@@H](NC(=O)c1ccco1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662725562 414747081 /nfs/dbraw/zinc/74/70/81/414747081.db2.gz YKHPICLKKCQRTI-NAUIOFCNSA-N 1 0 277.324 0.266 10 0 CCAERO O=C([C@@H]1C[NH2+]CCOC1)N1CCC[C@H](CCF)C1 ZINC000662879753 414864757 /nfs/dbraw/zinc/86/47/57/414864757.db2.gz NWWLZOSOYJXOJF-VXGBXAGGSA-N 1 0 258.337 0.821 10 0 CCAERO CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000662854243 414844980 /nfs/dbraw/zinc/84/49/80/414844980.db2.gz ZQKKBGPECCASBZ-OPRDCNLKSA-N 1 0 293.289 0.121 10 0 CCAERO CN(C(=O)CCn1ccnn1)[C@H](C[NH3+])C(F)(F)F ZINC000662975688 414929453 /nfs/dbraw/zinc/92/94/53/414929453.db2.gz APIOZQXQGQCRJW-SSDOTTSWSA-N 1 0 265.239 0.016 10 0 CCAERO C[C@@H](C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)n1cncn1 ZINC000662982874 414933363 /nfs/dbraw/zinc/93/33/63/414933363.db2.gz GIFYOUBFSZCUBR-NKWVEPMBSA-N 1 0 265.239 0.187 10 0 CCAERO CN(C(=O)c1cncn1C)[C@@H](C[NH3+])C(F)(F)F ZINC000662985715 414936333 /nfs/dbraw/zinc/93/63/33/414936333.db2.gz YWDRTXJQUXCECV-ZETCQYMHSA-N 1 0 250.224 0.382 10 0 CCAERO CN(C(=O)Cc1ccn(C)n1)[C@H](C[NH3+])C(F)(F)F ZINC000662984867 414936726 /nfs/dbraw/zinc/93/67/26/414936726.db2.gz PDLUHXWGYMDIDM-MRVPVSSYSA-N 1 0 264.251 0.311 10 0 CCAERO CN1C[C@H](CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1=O ZINC000662886659 414869195 /nfs/dbraw/zinc/86/91/95/414869195.db2.gz JHMUOFOKCMJYDJ-LOWDOPEQSA-N 1 0 279.384 0.502 10 0 CCAERO CCCNC(=O)CN(C)C(=O)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000042519494 174770953 /nfs/dbraw/zinc/77/09/53/174770953.db2.gz KHRKWZQQFYZGDG-GHMZBOCLSA-N 1 0 255.362 0.359 10 0 CCAERO CC[C@H](C)N(CCOC)C(=O)[C@H](C)N1CC[NH2+]CC1 ZINC000042594433 174813191 /nfs/dbraw/zinc/81/31/91/174813191.db2.gz NRLXFVZMESKUIO-STQMWFEESA-N 1 0 271.405 0.554 10 0 CCAERO CC[C@H](CC(N)=S)[N@@H+]1CCCN(C(C)=O)CC1 ZINC000042679826 174834487 /nfs/dbraw/zinc/83/44/87/174834487.db2.gz XWWRLZMNJOAYAC-LLVKDONJSA-N 1 0 257.403 0.995 10 0 CCAERO CN(CCC[NH3+])S(=O)(=O)NCCOc1ccccc1 ZINC000042896944 174904303 /nfs/dbraw/zinc/90/43/03/174904303.db2.gz CAWIYSOTOPTCFX-UHFFFAOYSA-N 1 0 287.385 0.180 10 0 CCAERO CO[C@H](C)c1nsc(NCc2nc(C[NH3+])cc(=O)[nH]2)n1 ZINC000663276860 415034649 /nfs/dbraw/zinc/03/46/49/415034649.db2.gz DCHRUHLGTKNUDJ-ZCFIWIBFSA-N 1 0 296.356 0.812 10 0 CCAERO CCOc1nccnc1NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000663277013 415034876 /nfs/dbraw/zinc/03/48/76/415034876.db2.gz HRRCVBIPMWYNMA-UHFFFAOYSA-N 1 0 276.300 0.442 10 0 CCAERO O=C(CC[C@H]1CCC[NH2+]C1)NC[C@H]1CCS(=O)(=O)C1 ZINC000043590446 175073465 /nfs/dbraw/zinc/07/34/65/175073465.db2.gz ZMPXKYIGHMCUJI-VXGBXAGGSA-N 1 0 288.413 0.317 10 0 CCAERO Nc1cnccc1SCC(=O)N1CC[NH2+]CC1 ZINC000044419714 175173575 /nfs/dbraw/zinc/17/35/75/175173575.db2.gz FCARSFRTCLHCOR-UHFFFAOYSA-N 1 0 252.343 0.188 10 0 CCAERO CO[C@H]1CS(=O)(=O)C[C@H]1Nc1cc[nH+]cc1C ZINC000664269595 415321697 /nfs/dbraw/zinc/32/16/97/415321697.db2.gz CQARUXFISUYYLA-MNOVXSKESA-N 1 0 256.327 0.036 10 0 CCAERO CCC[C@H](C)NC(=O)[C@H](C)N(CCC[NH3+])CCOC ZINC000071224883 176088963 /nfs/dbraw/zinc/08/89/63/176088963.db2.gz AKAIIDSLHWLSPK-STQMWFEESA-N 1 0 273.421 0.977 10 0 CCAERO CCC[C@@H](C)NC(=O)[C@@H](C)N(CCC[NH3+])CCOC ZINC000071224873 176089063 /nfs/dbraw/zinc/08/90/63/176089063.db2.gz AKAIIDSLHWLSPK-CHWSQXEVSA-N 1 0 273.421 0.977 10 0 CCAERO COc1cc([C@@](C)(C[NH3+])CO)cc(OC)c1OC ZINC000071576572 176204128 /nfs/dbraw/zinc/20/41/28/176204128.db2.gz RSDTYYCIRAFDPW-ZDUSSCGKSA-N 1 0 255.314 0.921 10 0 CCAERO O=c1cc(CN[C@@H]2CCC[NH2+]C2)nc(-c2ccncc2)[nH]1 ZINC000073696112 176486924 /nfs/dbraw/zinc/48/69/24/176486924.db2.gz FGTMCKSPVCRRQF-GFCCVEGCSA-N 1 0 285.351 0.674 10 0 CCAERO CN(CC[NH3+])CCCc1ccc2c(c1)NC(=O)CO2 ZINC000076362665 177003063 /nfs/dbraw/zinc/00/30/63/177003063.db2.gz ALPQRXZYNUNEQH-UHFFFAOYSA-N 1 0 263.341 0.841 10 0 CCAERO COC(=O)c1ccccc1N(C)S(=O)(=O)CC[NH3+] ZINC000076414520 177021567 /nfs/dbraw/zinc/02/15/67/177021567.db2.gz CLEKVTMTHBRCCP-UHFFFAOYSA-N 1 0 272.326 0.198 10 0 CCAERO CC[C@H](C[NH3+])CC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000076675205 177055602 /nfs/dbraw/zinc/05/56/02/177055602.db2.gz WQKIEPDGUCRIPT-UWVGGRQHSA-N 1 0 262.375 0.007 10 0 CCAERO [NH3+]C[C@@H](CC(=O)NC[C@@H]1CCCO1)c1ccncc1 ZINC000076678223 177057068 /nfs/dbraw/zinc/05/70/68/177057068.db2.gz MLZIDXUKKQHABQ-OLZOCXBDSA-N 1 0 263.341 0.809 10 0 CCAERO Cc1ccc(S(=O)(=O)N[C@@H](C)C[NH2+]CCCO)cc1 ZINC000077293432 177250265 /nfs/dbraw/zinc/25/02/65/177250265.db2.gz MPAJBNPHILJRRI-LBPRGKRZSA-N 1 0 286.397 0.634 10 0 in-vitro CCAERO CS(=O)(=O)c1cnn([C@@H](C[NH3+])c2ccccc2)c1 ZINC000725251733 545876617 /nfs/dbraw/zinc/87/66/17/545876617.db2.gz FTZITDKWZCFBSG-LBPRGKRZSA-N 1 0 265.338 0.835 10 0 CCAERO CCC[NH2+][C@@H]1CCOC[C@@H]1n1cc(S(C)(=O)=O)cn1 ZINC000725253239 545878019 /nfs/dbraw/zinc/87/80/19/545878019.db2.gz SDYKUQGNENVJHQ-NEPJUHHUSA-N 1 0 287.385 0.616 10 0 CCAERO C[C@@H]1CC(n2cc(S(C)(=O)=O)cn2)C[C@@H](C)[NH2+]1 ZINC000725253001 545878478 /nfs/dbraw/zinc/87/84/78/545878478.db2.gz QLENYAOINIBCHA-RKDXNWHRSA-N 1 0 257.359 0.988 10 0 CCAERO CC[C@H](C)S(=O)(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725260241 545881535 /nfs/dbraw/zinc/88/15/35/545881535.db2.gz PVRPZZUTXLCFMQ-QMMMGPOBSA-N 1 0 258.347 0.568 10 0 CCAERO CS(=O)(=O)N1CCC[C@H]([C@@]23CC[C@@H]2CC[NH2+]3)C1 ZINC000725263525 545883273 /nfs/dbraw/zinc/88/32/73/545883273.db2.gz NSUYONVYUGAZFA-GRYCIOLGSA-N 1 0 258.387 0.800 10 0 CCAERO COCC(=O)N1CC[C@@H]([NH3+])[C@@H](C(F)(F)F)CC1 ZINC000725262870 545883533 /nfs/dbraw/zinc/88/35/33/545883533.db2.gz PZAQQPUIQWBHSZ-JGVFFNPUSA-N 1 0 254.252 0.761 10 0 CCAERO CCS(=O)(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])CC1 ZINC000725262644 545882458 /nfs/dbraw/zinc/88/24/58/545882458.db2.gz JOXUJTXLCPFZHN-SFYZADRCSA-N 1 0 274.308 0.938 10 0 CCAERO CN([C@H]1C[C@@H]([NH3+])C12CCOCC2)C1CC[NH+](C)CC1 ZINC000725264490 545884692 /nfs/dbraw/zinc/88/46/92/545884692.db2.gz QRHUIFRFNNWCOC-KGLIPLIRSA-N 1 0 267.417 0.909 10 0 CCAERO CCCCNC(=O)N[C@H]1CCOC12CC[NH2+]CC2 ZINC000725269264 545887036 /nfs/dbraw/zinc/88/70/36/545887036.db2.gz IKXZVEVGQXHBDU-NSHDSACASA-N 1 0 255.362 0.997 10 0 CCAERO COC(=O)C1CC[NH+]([C@H]2CCO[C@@]23CCOC3)CC1 ZINC000725269569 545887945 /nfs/dbraw/zinc/88/79/45/545887945.db2.gz WPKCNCOPLAGJNS-GXTWGEPZSA-N 1 0 269.341 0.819 10 0 CCAERO O=S(=O)(C[C@H](O)C[NH2+]C1CCC1)c1ccccc1 ZINC000725270916 545888491 /nfs/dbraw/zinc/88/84/91/545888491.db2.gz VKVGGUAIASRVCL-GFCCVEGCSA-N 1 0 269.366 0.963 10 0 CCAERO C[C@@H]1CCC[C@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)[C@@H]1C ZINC000333928392 287473010 /nfs/dbraw/zinc/47/30/10/287473010.db2.gz XGLFKROGEHIRBG-BNDIWNMDSA-N 1 0 269.389 0.785 10 0 CCAERO O=C(COC1CC[NH2+]CC1)NC[C@@H]1CCCC[C@H]1O ZINC000085986690 544496493 /nfs/dbraw/zinc/49/64/93/544496493.db2.gz JRCUNPFDVXVSCW-WCQYABFASA-N 1 0 270.373 0.422 10 0 CCAERO C[C@@H]1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)[C@@H]1CO ZINC000333901273 287541217 /nfs/dbraw/zinc/54/12/17/287541217.db2.gz ZWINOKIZDPMULK-GRYCIOLGSA-N 1 0 255.362 0.541 10 0 CCAERO CCCNC(=O)CN(CCC)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000079517788 544474200 /nfs/dbraw/zinc/47/42/00/544474200.db2.gz DTHSZFUKQBIRHQ-AWEZNQCLSA-N 1 0 269.389 0.893 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(N)nc1 ZINC000094466888 544543499 /nfs/dbraw/zinc/54/34/99/544543499.db2.gz TUKHHKRKSXRDHS-ZYHUDNBSSA-N 1 0 260.341 0.973 10 0 CCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCCn1ccnc1 ZINC000094647186 544545537 /nfs/dbraw/zinc/54/55/37/544545537.db2.gz ZAMRILSAUIJNFH-NEPJUHHUSA-N 1 0 250.346 0.778 10 0 CCAERO CCN(Cc1ccccn1)C(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000094914933 544546818 /nfs/dbraw/zinc/54/68/18/544546818.db2.gz AHMGCYASICSALT-CHWSQXEVSA-N 1 0 263.341 0.807 10 0 CCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000089452340 544512739 /nfs/dbraw/zinc/51/27/39/544512739.db2.gz TXOXVVFVWXXJKZ-ZYHUDNBSSA-N 1 0 286.339 0.976 10 0 CCAERO CNC(=O)[C@@H]1CCCCN1C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089456646 544513254 /nfs/dbraw/zinc/51/32/54/544513254.db2.gz SKBPUHYHUVSVEI-WOPDTQHZSA-N 1 0 267.373 0.489 10 0 CCAERO CCCNC(=O)CCNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089461087 544514274 /nfs/dbraw/zinc/51/42/74/544514274.db2.gz IWNIUPKRVZKLMG-QWRGUYRKSA-N 1 0 255.362 0.394 10 0 CCAERO CN(Cc1nccn1C)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089457680 544514505 /nfs/dbraw/zinc/51/45/05/544514505.db2.gz KRLFSCZUXHJKRC-QWRGUYRKSA-N 1 0 250.346 0.754 10 0 CCAERO CN(CC(=O)N1CCCC1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089457283 544515044 /nfs/dbraw/zinc/51/50/44/544515044.db2.gz YVJPZPNMKGFMOY-VXGBXAGGSA-N 1 0 267.373 0.442 10 0 CCAERO CCCNC(=O)CCNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089461085 544515046 /nfs/dbraw/zinc/51/50/46/544515046.db2.gz IWNIUPKRVZKLMG-MNOVXSKESA-N 1 0 255.362 0.394 10 0 CCAERO COc1cc(OC)nc(NCC2([NH3+])CCOCC2)n1 ZINC000630524316 419461540 /nfs/dbraw/zinc/46/15/40/419461540.db2.gz LEJCUYIRQCNOTF-UHFFFAOYSA-N 1 0 268.317 0.414 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)NC1CCC(C(N)=O)CC1 ZINC000136322390 544636960 /nfs/dbraw/zinc/63/69/60/544636960.db2.gz MEHJZWFSQJFNAO-VQXHTEKXSA-N 1 0 255.362 0.520 10 0 CCAERO CCN(CCCNC(=O)C[C@@H]([NH3+])C(C)C)S(C)(=O)=O ZINC000136411158 544639023 /nfs/dbraw/zinc/63/90/23/544639023.db2.gz VXJUZOOKGYBTDK-LLVKDONJSA-N 1 0 293.433 0.148 10 0 CCAERO C[C@H]([NH2+]CC(=O)N(C)Cc1cnn(C)c1)[C@@H]1CCCO1 ZINC000183136431 544765893 /nfs/dbraw/zinc/76/58/93/544765893.db2.gz GDOPHWJSPBJSJI-AAEUAGOBSA-N 1 0 280.372 0.536 10 0 CCAERO CNC(=O)[C@H]([NH2+]CCCS(=O)(=O)C(C)C)C(C)C ZINC000183658326 544770456 /nfs/dbraw/zinc/77/04/56/544770456.db2.gz AZLYASZNSJZZCU-LLVKDONJSA-N 1 0 278.418 0.560 10 0 CCAERO C[C@H](CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])[N@H+](C)C1CC1 ZINC000227433064 544834895 /nfs/dbraw/zinc/83/48/95/544834895.db2.gz DEKSNLSHDPMSTP-NQBHXWOUSA-N 1 0 253.390 0.960 10 0 CCAERO Cc1cc(CS(=O)(=O)N[C@@H]2CCC[NH2+][C@H]2C)no1 ZINC000229594931 544848638 /nfs/dbraw/zinc/84/86/38/544848638.db2.gz GTMUTWIIIRSADO-GXSJLCMTSA-N 1 0 273.358 0.543 10 0 CCAERO CCCCOC[C@@H](O)Cn1cc(CCC[NH3+])nn1 ZINC000229839188 544850367 /nfs/dbraw/zinc/85/03/67/544850367.db2.gz GCEFSVDXGDOOBD-LBPRGKRZSA-N 1 0 256.350 0.347 10 0 CCAERO C[C@@H]1CCN(C(=O)[C@H]2CCNCC2(F)F)[C@H](C[NH3+])C1 ZINC000261732577 544937013 /nfs/dbraw/zinc/93/70/13/544937013.db2.gz HUBCHQWDEHBRHB-OUAUKWLOSA-N 1 0 275.343 0.817 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cccc2cnccc21 ZINC000262064013 544937888 /nfs/dbraw/zinc/93/78/88/544937888.db2.gz BCPJPIWZRHFGMK-RISCZKNCSA-N 1 0 271.320 0.545 10 0 CCAERO CCOc1ccc(CCC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262074159 544938004 /nfs/dbraw/zinc/93/80/04/544938004.db2.gz BXICYVQZMNGIJX-HIFRSBDPSA-N 1 0 292.379 0.714 10 0 CCAERO O[C@H]1C[NH2+]C[C@H]1CNCc1c[nH]nc1-c1ccc(F)cc1 ZINC000262098264 544939217 /nfs/dbraw/zinc/93/92/17/544939217.db2.gz IIBSIYGIGXBFNQ-RISCZKNCSA-N 1 0 290.342 0.886 10 0 CCAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1c[nH]nc1-c1cccnc1 ZINC000262086827 544939290 /nfs/dbraw/zinc/93/92/90/544939290.db2.gz GEISUBAXAASEBZ-AAEUAGOBSA-N 1 0 273.340 0.142 10 0 CCAERO COc1cc(OC)c(OC)cc1CNC[C@H]1C[NH2+]C[C@H]1O ZINC000262077163 544939314 /nfs/dbraw/zinc/93/93/14/544939314.db2.gz DJDLKGULMLTESS-NWDGAFQWSA-N 1 0 296.367 0.382 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@H]1CCCc2ccccc21 ZINC000262103764 544939450 /nfs/dbraw/zinc/93/94/50/544939450.db2.gz DYBBTMZSGNMDPV-AEGPPILISA-N 1 0 274.364 0.803 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)C1(Cc2ccccc2)CC1 ZINC000262103725 544939781 /nfs/dbraw/zinc/93/97/81/544939781.db2.gz DWKZVPSJWSGIMQ-ZIAGYGMSSA-N 1 0 274.364 0.706 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cc(-c2ccccn2)no1 ZINC000262111310 544940783 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CC(C)NC(=O)CN(C)C(=O)[C@H]1C[C@H]([NH3+])CC[C@@H]1C ZINC000055135297 519704892 /nfs/dbraw/zinc/70/48/92/519704892.db2.gz TZIZBMMDXGHOSR-TUAOUCFPSA-N 1 0 269.389 0.733 10 0 CCAERO CC(C)[NH2+]C[C@@H]1CCCN1c1cncc2nnnn21 ZINC000053694523 519723666 /nfs/dbraw/zinc/72/36/66/519723666.db2.gz QPGHQJICCBYPGF-JTQLQIEISA-N 1 0 261.333 0.486 10 0 CCAERO CC(C)[NH2+][C@@H](CCN1CCCO[C@@H](C)C1)C(N)=O ZINC000062533179 519734321 /nfs/dbraw/zinc/73/43/21/519734321.db2.gz PHHPWYBODBHZKQ-RYUDHWBXSA-N 1 0 257.378 0.339 10 0 CCAERO CCCNC(=O)CN(C)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000062856434 519873885 /nfs/dbraw/zinc/87/38/85/519873885.db2.gz RJWBLFSPLHVDIE-CYBMUJFWSA-N 1 0 255.362 0.361 10 0 CCAERO CC[NH2+]CCC(=O)N(C)Cc1ccc(C(N)=O)cc1 ZINC000061294761 519915142 /nfs/dbraw/zinc/91/51/42/519915142.db2.gz ICBZYXYSVMMKPN-UHFFFAOYSA-N 1 0 263.341 0.744 10 0 CCAERO CC[NH2+]C[C@H](C)C(=O)NCCC(=O)N[C@H](C)CC ZINC000061266217 519962138 /nfs/dbraw/zinc/96/21/38/519962138.db2.gz QMQFOXYFUOMRDU-WDEREUQCSA-N 1 0 257.378 0.653 10 0 CCAERO CCC[NH2+][C@@H](CCSc1ncccn1)C(N)=O ZINC000062600307 520006695 /nfs/dbraw/zinc/00/66/95/520006695.db2.gz INSMYDLDPOSELW-VIFPVBQESA-N 1 0 254.359 0.812 10 0 CCAERO CCCNc1ccc(C(=O)NCC[NH+](C)C)nn1 ZINC000050725940 520147309 /nfs/dbraw/zinc/14/73/09/520147309.db2.gz HDBOBABHFUVRGN-UHFFFAOYSA-N 1 0 251.334 0.590 10 0 CCAERO CCNc1ccc(C(=O)NC[C@H](C)[NH+](C)C)nn1 ZINC000050779966 520289210 /nfs/dbraw/zinc/28/92/10/520289210.db2.gz UTNIXRANFZSAHL-VIFPVBQESA-N 1 0 251.334 0.588 10 0 CCAERO CC[NH+](CC)CCN1CCO[C@@H](CC(=O)OC)C1 ZINC000152037691 520664739 /nfs/dbraw/zinc/66/47/39/520664739.db2.gz CHUAISYRHPNOAE-LBPRGKRZSA-N 1 0 258.362 0.592 10 0 CCAERO CCCC[C@H](C)[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC000050888530 521148209 /nfs/dbraw/zinc/14/82/09/521148209.db2.gz ADXNVGDCPMHIBS-JTQLQIEISA-N 1 0 253.346 0.752 10 0 CCAERO CCOC(=O)[C@@](C)(N)CN1CC[NH+]([C@H](C)CC)CC1 ZINC000055070682 521152748 /nfs/dbraw/zinc/15/27/48/521152748.db2.gz POQWEDWIOCYLRN-OCCSQVGLSA-N 1 0 271.405 0.683 10 0 CCAERO CCC[C@]1(C(=O)N(C)CC(=O)NCC)CC[NH2+]C1 ZINC000062896167 521297319 /nfs/dbraw/zinc/29/73/19/521297319.db2.gz UWCCVUYKFJSOQK-ZDUSSCGKSA-N 1 0 255.362 0.361 10 0 CCAERO CCC(C)(C)NC(=O)C[NH2+]CCCS(C)(=O)=O ZINC000049281804 521317236 /nfs/dbraw/zinc/31/72/36/521317236.db2.gz MEWAEPIOUNPNCP-UHFFFAOYSA-N 1 0 264.391 0.316 10 0 CCAERO CC[N@@H+]1CC[C@@H](CNCC(=O)NCC(F)(F)F)C1 ZINC000049309785 521710827 /nfs/dbraw/zinc/71/08/27/521710827.db2.gz BJJCZGJVHQRHRS-VIFPVBQESA-N 1 0 267.295 0.596 10 0 CCAERO CCNC(=O)[C@@H](C)NC(=O)[C@@]1(CC)CCC[NH2+]C1 ZINC000062854096 521743557 /nfs/dbraw/zinc/74/35/57/521743557.db2.gz MUHYUKPAZDPIQR-MFKMUULPSA-N 1 0 255.362 0.407 10 0 CCAERO CCNC(=O)[C@H](C)NC(=O)[C@@H]1C[C@H]([NH3+])CC[C@@H]1C ZINC000055129163 521745353 /nfs/dbraw/zinc/74/53/53/521745353.db2.gz FYWUQZNHXGGFIT-UKKRHICBSA-N 1 0 255.362 0.391 10 0 CCAERO C[NH+](C)C[C@@H]1CCCN1CCn1cc(N)ccc1=O ZINC000061641811 521839261 /nfs/dbraw/zinc/83/92/61/521839261.db2.gz XXNAZIUCHINHEH-ZDUSSCGKSA-N 1 0 264.373 0.457 10 0 CCAERO C[NH2+]CCS(=O)(=O)Nc1ccc(N(C)C)cc1 ZINC000049630243 522016130 /nfs/dbraw/zinc/01/61/30/522016130.db2.gz SKLOLQAMAUOOTL-UHFFFAOYSA-N 1 0 257.359 0.714 10 0 CCAERO CNS(=O)(=O)c1ccc(N(C)[C@H](C)CC[NH3+])cc1 ZINC000063086586 522286620 /nfs/dbraw/zinc/28/66/20/522286620.db2.gz MPRNDTINOZXLEV-SNVBAGLBSA-N 1 0 271.386 0.768 10 0 CCAERO CC[C@H]([NH3+])[C@@H](c1cnn(C)c1)N1CCNC(=O)CC1 ZINC000062099389 522342122 /nfs/dbraw/zinc/34/21/22/522342122.db2.gz XPPMRMONTQBZAM-WCQYABFASA-N 1 0 265.361 0.020 10 0 CCAERO C[N@@H+](CC(=O)N1CCC[C@H](C(N)=O)C1)CC1CCOCC1 ZINC000155809795 522433653 /nfs/dbraw/zinc/43/36/53/522433653.db2.gz SYRSQDKZTJVKDA-ZDUSSCGKSA-N 1 0 297.399 0.069 10 0 CCAERO CN(CC(=O)NCC(F)(F)F)c1cc[nH+]cc1N ZINC000049310073 522471167 /nfs/dbraw/zinc/47/11/67/522471167.db2.gz QEDHGSPFPWLEFP-UHFFFAOYSA-N 1 0 262.235 0.779 10 0 CCAERO COC[C@H]([NH3+])C(=O)N1CCC(Cc2nccn2C)CC1 ZINC000262280659 522692476 /nfs/dbraw/zinc/69/24/76/522692476.db2.gz LTMIHLZUSHZKDA-LBPRGKRZSA-N 1 0 280.372 0.175 10 0 CCAERO CN(CC[C@H]1CCCC[NH2+]1)S(=O)(=O)C[C@@H]1CCCO1 ZINC000063155784 522936126 /nfs/dbraw/zinc/93/61/26/522936126.db2.gz YEZGMLUCWPERAC-OLZOCXBDSA-N 1 0 290.429 0.959 10 0 CCAERO CC(C)(C)NC(=O)CNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000262002174 534696590 /nfs/dbraw/zinc/69/65/90/534696590.db2.gz USQVMEVAKLIJLX-VHSXEESVSA-N 1 0 255.362 0.535 10 0 CCAERO CN(Cc1cccc(F)c1)[C@H]1CS(=O)(=O)C[C@@H]1[NH3+] ZINC000054493512 523313375 /nfs/dbraw/zinc/31/33/75/523313375.db2.gz SWYDMIKDYLMVGB-RYUDHWBXSA-N 1 0 272.345 0.382 10 0 CCAERO CCn1cc(C[C@@H](C[NH2+]C)[C@@H]2CCS(=O)(=O)C2)cn1 ZINC000052950000 523393934 /nfs/dbraw/zinc/39/39/34/523393934.db2.gz FADIWJJIIDDJDC-OLZOCXBDSA-N 1 0 285.413 0.716 10 0 CCAERO COC(=O)[C@@H]1CN(CCC[NH+]2CCCC2)CCO1 ZINC000152008344 523747583 /nfs/dbraw/zinc/74/75/83/523747583.db2.gz APAGMCMMJULSTH-LBPRGKRZSA-N 1 0 256.346 0.346 10 0 CCAERO CN(C(=O)CC[C@@H]1CCCC[NH2+]1)[C@@H]1CCS(=O)(=O)C1 ZINC000050943157 523807095 /nfs/dbraw/zinc/80/70/95/523807095.db2.gz BTZMDMBMHRCIOA-NWDGAFQWSA-N 1 0 288.413 0.554 10 0 CCAERO C[C@H]([NH3+])CNc1ccc(I)cn1 ZINC000575486561 545102296 /nfs/dbraw/zinc/10/22/96/545102296.db2.gz JBYPNVFMHDEZGG-LURJTMIESA-N 1 0 277.109 1.445 10 0 CCAERO C[C@@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)N(C)CC(=O)N(C)C ZINC000055126819 524391509 /nfs/dbraw/zinc/39/15/09/524391509.db2.gz PSWHNMOJHXYFNQ-JFGNBEQYSA-N 1 0 255.362 0.297 10 0 CCAERO C[C@@H](C[NH3+])CNS(=O)(=O)CCc1ccccn1 ZINC000054140346 524583340 /nfs/dbraw/zinc/58/33/40/524583340.db2.gz KHHRIWNYYKZMMM-JTQLQIEISA-N 1 0 257.359 0.138 10 0 CCAERO C[C@H]1CN(CCn2cc(C[NH3+])nn2)CC(C)(C)O1 ZINC000052543530 524604272 /nfs/dbraw/zinc/60/42/72/524604272.db2.gz XHWUUISKRLZOKV-JTQLQIEISA-N 1 0 253.350 0.236 10 0 CCAERO C[C@@H]1CN(CCn2cc(C[NH3+])nn2)CC(C)(C)O1 ZINC000052543529 524962567 /nfs/dbraw/zinc/96/25/67/524962567.db2.gz XHWUUISKRLZOKV-SNVBAGLBSA-N 1 0 253.350 0.236 10 0 CCAERO C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@H](O)C[C@@H]1CO)c1ccccc1 ZINC000184717220 525163642 /nfs/dbraw/zinc/16/36/42/525163642.db2.gz SKNNRUUDGODDJC-DDHJSBNISA-N 1 0 292.379 0.680 10 0 CCAERO Cc1ccc(NC(=O)[C@@H](C)C2C[NH2+]C2)cc1-n1cnnn1 ZINC000163916319 525190734 /nfs/dbraw/zinc/19/07/34/525190734.db2.gz DAGACUUQCGYEBQ-JTQLQIEISA-N 1 0 286.339 0.765 10 0 CCAERO C[C@@H]1C[C@@H]1NS(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000052295802 525330562 /nfs/dbraw/zinc/33/05/62/525330562.db2.gz HUGSNPJEFIOVNV-APPZFPTMSA-N 1 0 260.384 0.936 10 0 CCAERO C[C@H]([NH2+]CC(=O)NC1CCOCC1)[C@H]1CCCO1 ZINC000062768538 525304641 /nfs/dbraw/zinc/30/46/41/525304641.db2.gz ARZDHFIGFFUMPS-CMPLNLGQSA-N 1 0 256.346 0.439 10 0 CCAERO Cc1[nH]nc(C(=O)N2CCC[C@@H]2C[NH+](C)C)c1N ZINC000061641738 525466250 /nfs/dbraw/zinc/46/62/50/525466250.db2.gz VVQPYFOTONCRFW-SECBINFHSA-N 1 0 251.334 0.467 10 0 CCAERO Cc1cccnc1NS(=O)(=O)C1CC[NH2+]CC1 ZINC000049631741 525545211 /nfs/dbraw/zinc/54/52/11/525545211.db2.gz WGVZODJOQFNMEZ-UHFFFAOYSA-N 1 0 255.343 0.884 10 0 CCAERO C[C@H](c1cccs1)N(C)[C@@H]1CS(=O)(=O)C[C@@H]1[NH3+] ZINC000054493580 526154760 /nfs/dbraw/zinc/15/47/60/526154760.db2.gz PPSUJPYLAANUKB-KXUCPTDWSA-N 1 0 274.411 0.865 10 0 CCAERO CC(C)(C)c1ncc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)s1 ZINC000262380932 534912372 /nfs/dbraw/zinc/91/23/72/534912372.db2.gz XBGBPYRCBFRXTA-RKDXNWHRSA-N 1 0 283.397 0.751 10 0 CCAERO CN1CCO[C@@H](C[NH2+]C2CCN(c3ccccn3)CC2)C1 ZINC000091667769 536435996 /nfs/dbraw/zinc/43/59/96/536435996.db2.gz FDVTYUKNUCXYLD-HNNXBMFYSA-N 1 0 290.411 0.971 10 0 CCAERO CC(C)(C)OC[C@H](O)C[NH2+]C(C)(C)CN1CCOCC1 ZINC000308648370 526556736 /nfs/dbraw/zinc/55/67/36/526556736.db2.gz QOTRZKGHJYHQHZ-CYBMUJFWSA-N 1 0 288.432 0.863 10 0 CCAERO NC(=O)CN(C(=O)[C@H]1CCC[C@H]([NH3+])C1)C1CCCC1 ZINC000055088644 526877294 /nfs/dbraw/zinc/87/72/94/526877294.db2.gz KAERRPFZZIUVDO-QWRGUYRKSA-N 1 0 267.373 0.760 10 0 CCAERO Cn1c2ccc([C@H]([NH3+])CCC(N)=O)cc2n(C)c1=O ZINC000051392660 527107013 /nfs/dbraw/zinc/10/70/13/527107013.db2.gz STPJBSSOKZXRSF-SECBINFHSA-N 1 0 262.313 0.142 10 0 CCAERO O=S(=O)(C[C@@H]1CCC[NH2+]C1)N1CCCC[C@H]1CO ZINC000049644457 527182794 /nfs/dbraw/zinc/18/27/94/527182794.db2.gz PRSRRTPYCAOZKT-NEPJUHHUSA-N 1 0 276.402 0.163 10 0 CCAERO O=S(=O)(C[C@H]1CCCC[NH2+]1)NC1CCC(O)CC1 ZINC000049630791 527185692 /nfs/dbraw/zinc/18/56/92/527185692.db2.gz SZRCFASLTCVBJP-MOENNCHZSA-N 1 0 276.402 0.351 10 0 CCAERO NNc1ccc(Cn2nc3ccccn3c2=O)c[nH+]1 ZINC000051147672 527281567 /nfs/dbraw/zinc/28/15/67/527281567.db2.gz HNCQFRCXZNNNEB-UHFFFAOYSA-N 1 0 256.269 0.225 10 0 CCAERO O=S1(=O)CC[C@H]([NH2+]CCCOCC(F)(F)F)C1 ZINC000049312152 527311574 /nfs/dbraw/zinc/31/15/74/527311574.db2.gz SWCMANVDYOJEFH-QMMMGPOBSA-N 1 0 275.292 0.732 10 0 CCAERO CC(C)[NH2+]CCN(C)S(=O)(=O)[C@H]1CCOC1 ZINC000669379181 545206243 /nfs/dbraw/zinc/20/62/43/545206243.db2.gz WCQSEPWOTWKSDS-JTQLQIEISA-N 1 0 250.364 0.035 10 0 CCAERO CC(C)Oc1cc(NC[C@@H]2C[NH2+]C[C@@H]2O)ncn1 ZINC000420239942 528124730 /nfs/dbraw/zinc/12/47/30/528124730.db2.gz LCFXYIROYFHUSZ-UWVGGRQHSA-N 1 0 252.318 0.256 10 0 CCAERO CC(C)c1nnc2n1C[C@@H](NC(=O)C[NH+](C)C)CC2 ZINC000170775006 535022560 /nfs/dbraw/zinc/02/25/60/535022560.db2.gz XAFNPWJTPSLKLF-JTQLQIEISA-N 1 0 265.361 0.394 10 0 CCAERO CCS(=O)(=O)N1CCOc2ccccc2[C@@H]1C[NH3+] ZINC000675058084 545320597 /nfs/dbraw/zinc/32/05/97/545320597.db2.gz RKXBYTFIAJMHPM-NSHDSACASA-N 1 0 270.354 0.731 10 0 CCAERO CCNC(=O)c1ccccc1NC(=O)[C@H]([NH3+])COC ZINC000262258190 535449123 /nfs/dbraw/zinc/44/91/23/535449123.db2.gz UDNBLVFJYXHFGQ-SNVBAGLBSA-N 1 0 265.313 0.349 10 0 CCAERO CCC[C@@](C)([NH3+])C(=O)N1CCN([C@@H](CC)CO)CC1 ZINC000262577335 535525591 /nfs/dbraw/zinc/52/55/91/535525591.db2.gz OXUJJBSARYDATF-GXTWGEPZSA-N 1 0 271.405 0.419 10 0 CCAERO CCc1sc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1C ZINC000262286606 535949449 /nfs/dbraw/zinc/94/94/49/535949449.db2.gz OHSQCQZEPRQKIX-VHSXEESVSA-N 1 0 268.382 0.929 10 0 CCAERO CCn1cc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)cn1 ZINC000263210853 536012747 /nfs/dbraw/zinc/01/27/47/536012747.db2.gz KGLUXEZUPOKBAS-JTQLQIEISA-N 1 0 262.317 0.529 10 0 CCAERO CCn1cnc2c1ncnc2N1CC[C@@H]([NH+](C)C)C1 ZINC000264032476 536132768 /nfs/dbraw/zinc/13/27/68/536132768.db2.gz SNCGIEPGACRXTI-SNVBAGLBSA-N 1 0 260.345 0.987 10 0 CCAERO C[NH2+][C@@H](C)CNC(=O)Cn1nnc(-c2ccc(C)cc2)n1 ZINC000261860581 536339952 /nfs/dbraw/zinc/33/99/52/536339952.db2.gz YITOVGAWAPGEJT-NSHDSACASA-N 1 0 288.355 0.373 10 0 CCAERO COc1ccc(Cl)cc1CC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262376860 536551008 /nfs/dbraw/zinc/55/10/08/536551008.db2.gz WQZJCHUHZPNGTD-JQWIXIFHSA-N 1 0 298.770 0.588 10 0 CCAERO CO[C@H](C[NH3+])CC(=O)N[C@@H](C[S@](C)=O)c1ccccc1 ZINC000262747539 536568495 /nfs/dbraw/zinc/56/84/95/536568495.db2.gz ARPSKUFJNZKWTA-QAJFTPDKSA-N 1 0 298.408 0.586 10 0 CCAERO COC[C@@H]([NH3+])C(=O)NC[C@H](OC)c1ccc(F)cc1 ZINC000262345039 536661970 /nfs/dbraw/zinc/66/19/70/536661970.db2.gz TXFKLKVPBRTPKM-NEPJUHHUSA-N 1 0 270.304 0.603 10 0 CCAERO CC(C)[C@@](O)(C(=O)OCC1=CC[N@@H+]2CCC[C@@H]12)[C@H](C)O ZINC000000899142 560179362 /nfs/dbraw/zinc/17/93/62/560179362.db2.gz DRVWTOSBCBKXOR-WHOFXGATSA-N 1 0 283.368 0.702 10 0 in-vitro CCAERO C[C@H]([NH2+]C1CCN(CCO)CC1)C1CCOCC1 ZINC000398953093 581206194 /nfs/dbraw/zinc/20/61/94/581206194.db2.gz FRMDFGRZGUFWOO-LBPRGKRZSA-N 1 0 256.390 0.848 10 0 CCAERO Cc1cnn(C)c1C[NH2+]C1CCN(CCO)CC1 ZINC000398967879 581206672 /nfs/dbraw/zinc/20/66/72/581206672.db2.gz SLYWOTWSTQDGQJ-UHFFFAOYSA-N 1 0 252.362 0.275 10 0 CCAERO CS(=O)(=O)Nc1ccc(-c2ccc(C[NH3+])nn2)cc1 ZINC000757569593 581694118 /nfs/dbraw/zinc/69/41/18/581694118.db2.gz XTNZZXYPJMRYQL-UHFFFAOYSA-N 1 0 278.337 0.974 10 0 CCAERO [NH3+][C@@H](CS(=O)(=O)N1CCOCC1)C1CCCC1 ZINC000757149472 581696343 /nfs/dbraw/zinc/69/63/43/581696343.db2.gz COFVYXKYOQHALS-NSHDSACASA-N 1 0 262.375 0.166 10 0 CCAERO CC[C@@H](C)[C@H]([NH3+])CS(=O)(=O)N1CCOCC1 ZINC000757150811 581697215 /nfs/dbraw/zinc/69/72/15/581697215.db2.gz FYHCNTDDYSJQKV-NXEZZACHSA-N 1 0 250.364 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0.416 10 0 CCAERO Cn1nc(Br)cc1C[NH2+][C@@H]1C[C@H]1CO ZINC000308514550 623870816 /nfs/dbraw/zinc/87/08/16/623870816.db2.gz MJUKYQKROZCVIE-POYBYMJQSA-N 1 0 260.135 0.653 10 0 CCAERO CC(C)OCCS(=O)(=O)NCC1CC([NH3+])C1 ZINC000086559978 624919219 /nfs/dbraw/zinc/91/92/19/624919219.db2.gz PDCLUBHAPSRQIJ-UHFFFAOYSA-N 1 0 250.364 0.068 10 0 CCAERO [NH3+][C@@H](CO)C(=O)NCc1ccc(Br)cc1 ZINC000258982870 631026621 /nfs/dbraw/zinc/02/66/21/631026621.db2.gz PUNRYNUOLMRKFP-VIFPVBQESA-N 1 0 273.130 0.385 10 0 CCAERO COC(=O)N[C@@H](C(=O)NC[C@H]1CCC[NH2+]1)C(C)C ZINC000178722145 631531300 /nfs/dbraw/zinc/53/13/00/631531300.db2.gz GEBKYBNRTZEOKN-NXEZZACHSA-N 1 0 257.334 0.235 10 0 CCAERO C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)c1cc(=O)[nH][nH]1 ZINC000898870247 633678594 /nfs/dbraw/zinc/67/85/94/633678594.db2.gz SSPDCXXLNSXHPI-WPRPVWTQSA-N 1 0 252.318 0.777 10 0 CCAERO C[C@H](NS(=O)(=O)[C@H]1CCC[NH2+]C1)[C@@H]1CCCO1 ZINC000223105631 636892882 /nfs/dbraw/zinc/89/28/82/636892882.db2.gz CUSJTRNLQLDGGG-DCAQKATOSA-N 1 0 262.375 0.225 10 0 CCAERO CC[NH+](CC)CCNC(=O)c1ccc(-n2cnnc2)nc1 ZINC000223057625 636893156 /nfs/dbraw/zinc/89/31/56/636893156.db2.gz JXGLWYPXVJMTHB-UHFFFAOYSA-N 1 0 288.355 0.734 10 0 CCAERO CCCCOC[C@H](O)C[N@H+]1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000227912995 637039915 /nfs/dbraw/zinc/03/99/15/637039915.db2.gz YQSHIKABFOLQCH-UPJWGTAASA-N 1 0 273.373 0.905 10 0 CCAERO CC[NH2+]C[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC(C)C ZINC000229076002 637097281 /nfs/dbraw/zinc/09/72/81/637097281.db2.gz AAGFINQVJYNSCI-MNOVXSKESA-N 1 0 257.378 0.509 10 0 CCAERO CC[C@]1(C(=O)NC[C@H](O)C(F)(F)F)CCC[NH2+]1 ZINC000231786154 637229722 /nfs/dbraw/zinc/22/97/22/637229722.db2.gz OFDLYDDXMSKATD-IONNQARKSA-N 1 0 254.252 0.558 10 0 CCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H](O)c1ccsc1 ZINC000231985692 637238989 /nfs/dbraw/zinc/23/89/89/637238989.db2.gz SCQXUZNNMOCSNH-IEBDPFPHSA-N 1 0 254.355 0.753 10 0 CCAERO CC[C@H]1CN(C(=O)C2=COCCO2)CC[N@@H+]1C[C@@H](C)O ZINC000174618860 637269515 /nfs/dbraw/zinc/26/95/15/637269515.db2.gz RKJXIFLTFXNOSQ-NEPJUHHUSA-N 1 0 284.356 0.178 10 0 CCAERO COC(=O)[C@@H]1CN(C[C@H](O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC000311579016 637324876 /nfs/dbraw/zinc/32/48/76/637324876.db2.gz ODUZZASJDUUPBX-YNEHKIRRSA-N 1 0 272.389 0.428 10 0 CCAERO COC(=O)/C(C)=C/C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000088630723 637341650 /nfs/dbraw/zinc/34/16/50/637341650.db2.gz PITUXEJVUOKHOP-QQFGACLNSA-N 1 0 268.357 0.512 10 0 CCAERO COC(=O)N[C@H](CC(C)C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170855119 638235025 /nfs/dbraw/zinc/23/50/25/638235025.db2.gz WZGXXSRCOUBBRX-NWDGAFQWSA-N 1 0 285.388 0.920 10 0 CCAERO CCC[C@@H](C(=O)NCCc1ccnn1C)[NH+](C)C ZINC000183779204 638615298 /nfs/dbraw/zinc/61/52/98/638615298.db2.gz KQQVNXBNTOYKKH-LBPRGKRZSA-N 1 0 252.362 0.809 10 0 CCAERO C[C@@]1(C(=O)NCC(=O)NCc2ccccc2)CCCC[NH2+]1 ZINC000136174147 644731946 /nfs/dbraw/zinc/73/19/46/644731946.db2.gz HYYNTDOUXHNHDO-INIZCTEOSA-N 1 0 289.379 0.951 10 0 CCAERO O=C1C[C@H](C[N@@H+]2CC[C@H](n3cc(C4CC4)nn3)C2)CN1 ZINC000931122600 648947578 /nfs/dbraw/zinc/94/75/78/648947578.db2.gz VXLNDSCHQIBDOW-JQWIXIFHSA-N 1 0 275.356 0.538 10 0 CCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCC1N=NC(=S)N1CC ZINC000156734091 649298281 /nfs/dbraw/zinc/29/82/81/649298281.db2.gz YOKOKZQECOXPKY-PSASIEDQSA-N 1 0 285.417 0.619 10 0 CCAERO COC[C@]1(C)CC(=O)N(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)C1 ZINC000245422167 649642232 /nfs/dbraw/zinc/64/22/32/649642232.db2.gz PDPRHWCTJOCWJH-IJEWVQPXSA-N 1 0 295.427 0.997 10 0 CCAERO CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1[NH2+]CC(N)=O ZINC000089146855 649648256 /nfs/dbraw/zinc/64/82/56/649648256.db2.gz DVRURQBXNVWYGK-NXEZZACHSA-N 1 0 271.361 0.755 10 0 CCAERO CCOC(=O)CCNC(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089397460 649656491 /nfs/dbraw/zinc/65/64/91/649656491.db2.gz NXUAJUGYOONPSW-MNOVXSKESA-N 1 0 256.346 0.821 10 0 CCAERO CCCOC(=O)[C@@H](C)N1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000246584522 649680991 /nfs/dbraw/zinc/68/09/91/649680991.db2.gz FPRQOFZBSSLZBB-QWHCGFSZSA-N 1 0 272.389 0.981 10 0 CCAERO C[C@@H]1CN(C(=O)CN2CC[N@@H+]3CCCC[C@H]3C2)CCO1 ZINC000248326806 649729900 /nfs/dbraw/zinc/72/99/00/649729900.db2.gz CBNLGFGXYGWIEB-KGLIPLIRSA-N 1 0 281.400 0.404 10 0 CCAERO CC(C)(C[NH3+])c1nc([C@H]2CN3CCC[C@H]3CO2)no1 ZINC000252698042 649833796 /nfs/dbraw/zinc/83/37/96/649833796.db2.gz KTERJDJULAPOQA-VHSXEESVSA-N 1 0 266.345 0.842 10 0 CCAERO C[NH+](C)CC(=O)NC/C=C\CNC(=O)OC(C)(C)C ZINC000588553348 791648710 /nfs/dbraw/zinc/64/87/10/791648710.db2.gz XPBMFRHYDUPSBY-SREVYHEPSA-N 1 0 271.361 0.745 10 0 CCAERO CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722621727 978152587 /nfs/dbraw/zinc/15/25/87/978152587.db2.gz QNHJQWKCWFVKHH-UPJWGTAASA-N 1 0 272.389 0.730 10 0 CCAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)NC[C@]2(O)CCSC2)C1 ZINC000092331504 349489955 /nfs/dbraw/zinc/48/99/55/349489955.db2.gz CQZPRBOQTSUIQP-DMDPSCGWSA-N 1 0 287.429 0.636 10 0 CCAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)NCC2(O)CCOCC2)C1 ZINC000092322056 349490308 /nfs/dbraw/zinc/49/03/08/349490308.db2.gz YQBNHHCYJWTZLJ-NWDGAFQWSA-N 1 0 285.388 0.310 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1c[nH]cn1 ZINC000092666123 349501636 /nfs/dbraw/zinc/50/16/36/349501636.db2.gz XVHXDZIAAADPOO-SNVBAGLBSA-N 1 0 272.374 0.515 10 0 CCAERO C[C@H](Sc1ccncc1)C(=O)N1CC[NH2+]CC1 ZINC000082655060 178142697 /nfs/dbraw/zinc/14/26/97/178142697.db2.gz CCAAFVRZCGGBPG-JTQLQIEISA-N 1 0 251.355 0.994 10 0 CCAERO CN1CCN(C(=O)C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)CC1 ZINC000093191281 349530902 /nfs/dbraw/zinc/53/09/02/349530902.db2.gz TVRYHYHQWMZXSP-ZIAGYGMSSA-N 1 0 281.400 0.261 10 0 CCAERO COCC(=O)N1CC2(C1)CC[N@H+](Cc1ccoc1)C2 ZINC000096070929 185086856 /nfs/dbraw/zinc/08/68/56/185086856.db2.gz QBFGNQUHDBMGBO-UHFFFAOYSA-N 1 0 264.325 0.960 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H]1COCCO1 ZINC000094448644 349568605 /nfs/dbraw/zinc/56/86/05/349568605.db2.gz ARTKGPPVUNPSFT-MGPQQGTHSA-N 1 0 254.374 0.960 10 0 CCAERO C[C@@H](c1cnccn1)S(=O)(=O)NC[C@H]1CCC[NH2+]1 ZINC000095068158 349585185 /nfs/dbraw/zinc/58/51/85/349585185.db2.gz LFEOXVKACQYNFP-VHSXEESVSA-N 1 0 270.358 0.209 10 0 CCAERO Cc1cc(C)nc(S(=O)(=O)C[C@H]2CCC[NH2+]C2)n1 ZINC000095068843 349585323 /nfs/dbraw/zinc/58/53/23/349585323.db2.gz UHPVJXPRPHHJHB-NSHDSACASA-N 1 0 269.370 0.867 10 0 CCAERO Cc1nccnc1S(=O)(=O)NC[C@H]1CCC[NH2+]C1 ZINC000095068775 349585399 /nfs/dbraw/zinc/58/53/99/349585399.db2.gz GZWFQWGIEJMITO-JTQLQIEISA-N 1 0 270.358 0.063 10 0 CCAERO Cc1cc(C)nc(S(=O)(=O)NC[C@@H]2CCC[NH2+]C2)n1 ZINC000095068867 349585470 /nfs/dbraw/zinc/58/54/70/349585470.db2.gz CZKBDDXQHNIYRY-LLVKDONJSA-N 1 0 284.385 0.371 10 0 CCAERO Cc1cc(C)nc(S(=O)(=O)N2CCC[C@@H]([NH3+])C2)n1 ZINC000095068854 349585507 /nfs/dbraw/zinc/58/55/07/349585507.db2.gz WSHJSFLWEJDKCX-SNVBAGLBSA-N 1 0 270.358 0.205 10 0 CCAERO Cc1nccnc1S(=O)(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000095068770 349585584 /nfs/dbraw/zinc/58/55/84/349585584.db2.gz NZGBBNJDKGXSCY-JTQLQIEISA-N 1 0 270.358 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IJPQCTXKZFYFEA-IJLUTSLNSA-N 1 0 267.373 0.487 10 0 CCAERO Cc1onc(N)c1S(=O)(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000290798785 353750729 /nfs/dbraw/zinc/75/07/29/353750729.db2.gz RFPKVNBHJYSLNF-VIFPVBQESA-N 1 0 288.373 0.137 10 0 CCAERO CN(C[C@@H]1CCC[C@@H]1O)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000655474595 412585049 /nfs/dbraw/zinc/58/50/49/412585049.db2.gz HNTQGECEZQJRMS-AGIUHOORSA-N 1 0 254.374 0.996 10 0 CCAERO CCS(=O)(=O)NCC[NH2+][C@@H]1CCc2c1cccc2O ZINC000296734102 353957094 /nfs/dbraw/zinc/95/70/94/353957094.db2.gz OERXQRZTZPYJIF-GFCCVEGCSA-N 1 0 284.381 0.908 10 0 CCAERO Cc1cc(=O)n2nc(C[N@H+]3CC[C@@H](C)[C@H](O)C3)sc2n1 ZINC000299907290 354056207 /nfs/dbraw/zinc/05/62/07/354056207.db2.gz RKNPCDZVSJKQAB-PSASIEDQSA-N 1 0 294.380 0.662 10 0 CCAERO CN(CCOCC[NH3+])c1nnc(C(F)(F)F)s1 ZINC000306061350 354170922 /nfs/dbraw/zinc/17/09/22/354170922.db2.gz XBOUJZOXQRLQGP-UHFFFAOYSA-N 1 0 270.280 0.968 10 0 CCAERO CN1CC(=O)NC(=O)[C@@]12CC[N@H+](Cc1ccccc1)C2 ZINC000306610162 354175794 /nfs/dbraw/zinc/17/57/94/354175794.db2.gz ZYUFTKPBDFIPEP-HNNXBMFYSA-N 1 0 273.336 0.219 10 0 CCAERO C[C@H]1[N@H+](Cc2ccccc2)CC[C@@]12OC(N)=NC2=O ZINC000307304444 354179112 /nfs/dbraw/zinc/17/91/12/354179112.db2.gz BYSRRAVENJBDHC-QMTHXVAHSA-N 1 0 259.309 0.891 10 0 CCAERO C[C@@H]1[C@@]2(CCS1(=O)=O)C[NH+]=C(N)N2Cc1ccccc1 ZINC000307285618 354179201 /nfs/dbraw/zinc/17/92/01/354179201.db2.gz OTHWLVNTCQINEA-BXUZGUMPSA-N 1 0 293.392 0.763 10 0 CCAERO C[C@@H]1[N@H+](Cc2ccccc2)CC[C@@]12OC(N)=NC2=O ZINC000307304437 354179335 /nfs/dbraw/zinc/17/93/35/354179335.db2.gz BYSRRAVENJBDHC-IINYFYTJSA-N 1 0 259.309 0.891 10 0 CCAERO CCOC(=O)c1cnc(NC[C@@H](C)[NH2+]C)nc1C ZINC000310661195 354190911 /nfs/dbraw/zinc/19/09/11/354190911.db2.gz JRNIIYWWLSGHKJ-MRVPVSSYSA-N 1 0 252.318 0.982 10 0 CCAERO CCOC(=O)c1cnc(N2CC[C@@H]([NH3+])[C@H]2C)nc1C ZINC000311643422 354202492 /nfs/dbraw/zinc/20/24/92/354202492.db2.gz RXKOZKVHHKDDJW-MWLCHTKSSA-N 1 0 264.329 0.888 10 0 CCAERO C[C@H]1C[C@@]2(C[N@@H+]1Cc1ccccc1)OC(N)=NC2=O ZINC000307034718 354178561 /nfs/dbraw/zinc/17/85/61/354178561.db2.gz UACYURMSNCZYEM-HZMBPMFUSA-N 1 0 259.309 0.891 10 0 CCAERO C[C@H]1CSC[C@H]1[NH2+][C@H]1COC[C@H]1n1ccnn1 ZINC000408452300 291030902 /nfs/dbraw/zinc/03/09/02/291030902.db2.gz MHBUOIJWMWPMFC-UKKRHICBSA-N 1 0 254.359 0.559 10 0 CCAERO C[N@@H+]1CCO[C@H]2CCN(c3ncnc4nc[nH]c43)C[C@H]21 ZINC000284409568 283031488 /nfs/dbraw/zinc/03/14/88/283031488.db2.gz BMCQROWFHBONHT-ZJUUUORDSA-N 1 0 274.328 0.262 10 0 CCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000333612487 354762767 /nfs/dbraw/zinc/76/27/67/354762767.db2.gz SESMNYBPXPXEEG-JHEVNIALSA-N 1 0 278.356 0.222 10 0 CCAERO CS[C@@H]1CN(C(=O)CC[C@H]2CCC(=O)N2)C[C@H]1[NH+](C)C ZINC000333610960 354762770 /nfs/dbraw/zinc/76/27/70/354762770.db2.gz WRKOGUXEJGXCNJ-IJLUTSLNSA-N 1 0 299.440 0.549 10 0 CCAERO C[C@@H]1CN(C(=O)N[C@@H]2CCO[C@H]2c2cnn(C)c2)C[C@H]1[NH3+] ZINC000333622170 354764425 /nfs/dbraw/zinc/76/44/25/354764425.db2.gz UMRASWTXWJKVPK-JHEVNIALSA-N 1 0 293.371 0.239 10 0 CCAERO Cc1cnn(CC2CCN(C(=O)N[C@H]3CC[NH2+]C3)CC2)c1 ZINC000333729684 354783605 /nfs/dbraw/zinc/78/36/05/354783605.db2.gz VWTPJFACBNQQOQ-AWEZNQCLSA-N 1 0 291.399 0.975 10 0 CCAERO COC[C@H](NC(=O)N[C@H]1CCCC[NH2+]C1)[C@H]1CCCO1 ZINC000333860652 354807204 /nfs/dbraw/zinc/80/72/04/354807204.db2.gz ZEUIPTIQAQAATH-RWMBFGLXSA-N 1 0 285.388 0.622 10 0 CCAERO C[C@H](CN1CCCC1=O)NC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333909814 354814787 /nfs/dbraw/zinc/81/47/87/354814787.db2.gz DRNRQGGXOQLJNS-NEPJUHHUSA-N 1 0 282.388 0.439 10 0 CCAERO CN1CCO[C@@H]2CCN(C(=O)NCC3CCC3)C[C@H]21 ZINC000334440852 354865925 /nfs/dbraw/zinc/86/59/25/354865925.db2.gz YHCNJSMIAMMSLH-CHWSQXEVSA-N 1 0 267.373 0.901 10 0 CCAERO COC[C@H]([NH3+])C(=O)N1Cc2ccc(OC)cc2C1 ZINC000655502422 412599452 /nfs/dbraw/zinc/59/94/52/412599452.db2.gz LYGRBKDPYMIXIZ-LBPRGKRZSA-N 1 0 250.298 0.511 10 0 CCAERO C[NH+]1CCC2(CCCN2C(=O)[C@H]2CNC(=O)C2)CC1 ZINC000334925746 354937626 /nfs/dbraw/zinc/93/76/26/354937626.db2.gz CETYYYKDPMSWCP-LLVKDONJSA-N 1 0 265.357 0.209 10 0 CCAERO CN1C[C@@H](NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CCC1=O ZINC000332832532 283069849 /nfs/dbraw/zinc/06/98/49/283069849.db2.gz ATPCZVCZHQQGLE-AGIUHOORSA-N 1 0 294.399 0.343 10 0 CCAERO C[C@@H](NC(=O)c1ccco1)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655506744 412603009 /nfs/dbraw/zinc/60/30/09/412603009.db2.gz XIVSQDOYNGPRQL-HTRCEHHLSA-N 1 0 293.245 0.404 10 0 CCAERO C[C@@H]1C[C@H](C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)CC(=O)N1 ZINC000337131096 355271502 /nfs/dbraw/zinc/27/15/02/355271502.db2.gz BHNJXDKSKQSIHY-RHYQMDGZSA-N 1 0 267.373 0.500 10 0 CCAERO COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)CCO1 ZINC000341617510 355705030 /nfs/dbraw/zinc/70/50/30/355705030.db2.gz QOMHOPPLWWTXQX-WOPDTQHZSA-N 1 0 299.371 0.053 10 0 CCAERO CO[C@@H]1C[C@H](CO)N(C(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000345461686 355831627 /nfs/dbraw/zinc/83/16/27/355831627.db2.gz BOGRPMKBSFCHMC-ZIAGYGMSSA-N 1 0 282.384 0.469 10 0 CCAERO FC(F)(F)[C@H]1C[C@@H]([NH2+]CCn2cncn2)CCO1 ZINC000348062483 355884737 /nfs/dbraw/zinc/88/47/37/355884737.db2.gz YQIGAHIUCDUNSU-DTWKUNHWSA-N 1 0 264.251 0.978 10 0 CCAERO CCOC(=O)CCCNC(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000362601000 138065918 /nfs/dbraw/zinc/06/59/18/138065918.db2.gz QWFVBZBGQVKKRT-VXGBXAGGSA-N 1 0 285.388 0.921 10 0 CCAERO O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCO[C@H](CO)C1 ZINC000328795742 202062278 /nfs/dbraw/zinc/06/22/78/202062278.db2.gz CNHZHZOBJMOLGS-HIFRSBDPSA-N 1 0 296.411 0.861 10 0 CCAERO CN(C)c1noc(CN2CC[C@H]3OCCN(C)[C@@H]3C2)n1 ZINC000328867468 202088921 /nfs/dbraw/zinc/08/89/21/202088921.db2.gz CEZJWJAZJMLPAV-GHMZBOCLSA-N 1 0 281.360 0.041 10 0 CCAERO C[N@@H+]1CCO[C@H]2CCN(c3nnc(C4CC4)o3)C[C@H]21 ZINC000329002742 202147638 /nfs/dbraw/zinc/14/76/38/202147638.db2.gz WKHAKNRWVOMRDM-MNOVXSKESA-N 1 0 264.329 0.856 10 0 CCAERO C[C@H]1C[C@@H]1C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000329033623 202161966 /nfs/dbraw/zinc/16/19/66/202161966.db2.gz QMDBSPUGWIKWKI-ICUOPCATSA-N 1 0 262.357 0.938 10 0 CCAERO O=C(CCc1ccccn1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000366993122 357263525 /nfs/dbraw/zinc/26/35/25/357263525.db2.gz AYWXRWXCWWAOOZ-OLZOCXBDSA-N 1 0 261.325 0.213 10 0 CCAERO CC1(C)CN(S(=O)(=O)C[C@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000261576701 535357650 /nfs/dbraw/zinc/35/76/50/535357650.db2.gz NVCVMUQQYYXGOK-MNOVXSKESA-N 1 0 276.402 0.554 10 0 CCAERO N#Cc1csc(C[NH2+][C@@H]2CCCN(CCO)C2)n1 ZINC000385988849 357728783 /nfs/dbraw/zinc/72/87/83/357728783.db2.gz AMGOQONWWDNPTR-SNVBAGLBSA-N 1 0 266.370 0.561 10 0 CCAERO COC(=O)c1ccc(NC[C@H]2C[NH2+]CCCO2)nc1C ZINC000390155481 357741493 /nfs/dbraw/zinc/74/14/93/357741493.db2.gz YARRDJQZMXYLSE-LLVKDONJSA-N 1 0 279.340 0.389 10 0 CCAERO CCn1cncc1C[NH2+][C@@H]1CCCN(CCO)C1 ZINC000395005671 357759748 /nfs/dbraw/zinc/75/97/48/357759748.db2.gz HMJYRYGFWCVDBQ-GFCCVEGCSA-N 1 0 252.362 0.449 10 0 CCAERO C[C@H]1CC[C@H](O)C[N@@H+]1CC(=O)NC(=O)NC1CCCC1 ZINC000399469025 357783664 /nfs/dbraw/zinc/78/36/64/357783664.db2.gz LWDJDWUXKYWEEU-JQWIXIFHSA-N 1 0 283.372 0.600 10 0 CCAERO Cc1scc(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c1C ZINC000399839723 357785461 /nfs/dbraw/zinc/78/54/61/357785461.db2.gz GXYGJVWRGQZWHJ-GHMZBOCLSA-N 1 0 254.355 0.704 10 0 CCAERO Cc1noc(CN2C[C@H](C)[C@H](N3CCOCC3)C2)n1 ZINC000407947740 357829307 /nfs/dbraw/zinc/82/93/07/357829307.db2.gz JBNDYVZSCHHTNI-CMPLNLGQSA-N 1 0 266.345 0.531 10 0 CCAERO CSC[C@H](O)C[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O ZINC000408046920 357886240 /nfs/dbraw/zinc/88/62/40/357886240.db2.gz YRONFTONNUDSGC-RQJABVFESA-N 1 0 289.441 0.962 10 0 CCAERO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000408089286 357914326 /nfs/dbraw/zinc/91/43/26/357914326.db2.gz JEJNKACICNJFTM-WCABBAIRSA-N 1 0 269.345 0.066 10 0 CCAERO Cc1cnc([C@@H](C)NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)o1 ZINC000408144256 357938143 /nfs/dbraw/zinc/93/81/43/357938143.db2.gz HXBIGEPKROSVLP-VXGBXAGGSA-N 1 0 278.356 0.550 10 0 CCAERO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N[C@@H](C)C2)C1 ZINC000408204749 357969037 /nfs/dbraw/zinc/96/90/37/357969037.db2.gz OUBUMFRMNPHZFZ-RWMBFGLXSA-N 1 0 281.400 0.844 10 0 CCAERO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)NC1CCCC1 ZINC000408204526 357969265 /nfs/dbraw/zinc/96/92/65/357969265.db2.gz HISJZFWQJISTRB-LBPRGKRZSA-N 1 0 275.418 0.789 10 0 CCAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)CC(=O)N(C)C)CC2)CCO1 ZINC000408233635 357984519 /nfs/dbraw/zinc/98/45/19/357984519.db2.gz ASYGVUMBYLXNPX-GFCCVEGCSA-N 1 0 297.399 0.176 10 0 CCAERO COC(=O)[C@H]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)O1 ZINC000408242660 357989179 /nfs/dbraw/zinc/98/91/79/357989179.db2.gz WUENSJDLJFQSAW-MROQNXINSA-N 1 0 296.367 0.450 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H](CCO)C2)C1 ZINC000408250709 357992759 /nfs/dbraw/zinc/99/27/59/357992759.db2.gz QCFRQRPFKKWMHT-OLZOCXBDSA-N 1 0 269.389 0.885 10 0 CCAERO CC(=O)N1CC[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000408302538 358022490 /nfs/dbraw/zinc/02/24/90/358022490.db2.gz GQAGWVBTUNTICF-UBHSHLNASA-N 1 0 296.415 0.589 10 0 CCAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[S@](=O)C2)C1 ZINC000408309677 358026649 /nfs/dbraw/zinc/02/66/49/358026649.db2.gz NTXSNPJKYMAWCV-ZKTNFTSUSA-N 1 0 287.429 0.491 10 0 CCAERO CC[C@H]1CN(C(=O)C2(O)CCC2)CC[N@@H+]1C[C@@H](C)O ZINC000408316261 358029758 /nfs/dbraw/zinc/02/97/58/358029758.db2.gz ANSQTEMQUGOCKN-NEPJUHHUSA-N 1 0 270.373 0.205 10 0 CCAERO C[C@H]1N(CC(=O)N2CCC[C@H](C(N)=O)C2)CCOC1(C)C ZINC000408321419 358033396 /nfs/dbraw/zinc/03/33/96/358033396.db2.gz PFWLZCLCIRNDDB-NEPJUHHUSA-N 1 0 297.399 0.210 10 0 CCAERO C[C@@H]1CN(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)C[C@H]1CO ZINC000408328624 358038033 /nfs/dbraw/zinc/03/80/33/358038033.db2.gz JZECMQGWADLIKN-VOAKCMCISA-N 1 0 269.389 0.739 10 0 CCAERO COc1c(C[NH2+]C[C@@](C)(CO)OC)c(C)nn1C ZINC000655809429 412665137 /nfs/dbraw/zinc/66/51/37/412665137.db2.gz ZVLCIXRXYMONMS-LBPRGKRZSA-N 1 0 257.334 0.224 10 0 CCAERO 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[NH3+]Cc1cn(CC(=O)Nc2ccc3c(c2)CCC3)nn1 ZINC000050224345 411675979 /nfs/dbraw/zinc/67/59/79/411675979.db2.gz NOAHRSBGSSXLTM-UHFFFAOYSA-N 1 0 271.324 0.864 10 0 CCAERO [NH3+]Cc1cn(CC(=O)NC2CCCCCC2)nn1 ZINC000050224760 411676264 /nfs/dbraw/zinc/67/62/64/411676264.db2.gz QXWXYLJGTCPZKO-UHFFFAOYSA-N 1 0 251.334 0.576 10 0 CCAERO C[C@@H](NC(=O)[C@@H](C)C[NH3+])c1ccc(S(N)(=O)=O)cc1 ZINC000054338580 411683408 /nfs/dbraw/zinc/68/34/08/411683408.db2.gz ZUFSBVAJPYNSLO-DTWKUNHWSA-N 1 0 285.369 0.106 10 0 CCAERO COc1ccccc1NC(=O)[C@@H](C)n1cc(C[NH3+])nn1 ZINC000062272230 411686589 /nfs/dbraw/zinc/68/65/89/411686589.db2.gz KNSVDTSIVLHJPZ-SECBINFHSA-N 1 0 275.312 0.945 10 0 CCAERO CC1(C)CC(NC(=O)[C@H]2CNC(=O)C2)CC(C)(C)[NH2+]1 ZINC000110367257 411701243 /nfs/dbraw/zinc/70/12/43/411701243.db2.gz KURXVUZWUSLDAD-SECBINFHSA-N 1 0 267.373 0.548 10 0 CCAERO CNS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000111266523 411701583 /nfs/dbraw/zinc/70/15/83/411701583.db2.gz UAINNYQDCYDXEY-BXKDBHETSA-N 1 0 297.380 0.389 10 0 CCAERO COC[C@H](C)OC[C@H](O)C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000300259302 411742835 /nfs/dbraw/zinc/74/28/35/411742835.db2.gz JPFKUAOSKJIAII-REWJHTLYSA-N 1 0 275.389 0.540 10 0 CCAERO COCCn1cc(NC(=O)C(C)(C)N2CC[NH2+]CC2)cn1 ZINC000129633092 411720935 /nfs/dbraw/zinc/72/09/35/411720935.db2.gz WUXWHHSNDIPASG-UHFFFAOYSA-N 1 0 295.387 0.152 10 0 CCAERO CC(C)O[C@@H]1CCCN(C(=O)C2([NH3+])CCOCC2)C1 ZINC000404693727 411798293 /nfs/dbraw/zinc/79/82/93/411798293.db2.gz QYRMBIGKRSWFIT-GFCCVEGCSA-N 1 0 270.373 0.910 10 0 CCAERO COc1cc(OC)c(OC)cc1C[NH2+]CCNC(C)=O ZINC000020148716 171037104 /nfs/dbraw/zinc/03/71/04/171037104.db2.gz YLCROZRMLWVAAP-UHFFFAOYSA-N 1 0 282.340 0.938 10 0 CCAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000020188210 171053434 /nfs/dbraw/zinc/05/34/34/171053434.db2.gz BXEWYGHDUOSDFJ-UHFFFAOYSA-N 1 0 283.397 0.342 10 0 CCAERO C[N@@H+]1CCCN(C(=O)CNC(=O)c2ccc(N)cc2)CC1 ZINC000020217859 171081187 /nfs/dbraw/zinc/08/11/87/171081187.db2.gz ORTFDRRDUTYGBG-UHFFFAOYSA-N 1 0 290.367 0.163 10 0 CCAERO [NH3+]Cc1ccccc1NS(=O)(=O)N1CCOCC1 ZINC000020254515 171107379 /nfs/dbraw/zinc/10/73/79/171107379.db2.gz OIERTAFNZCEGHQ-UHFFFAOYSA-N 1 0 271.342 0.134 10 0 CCAERO C[C@H]([NH2+]CCc1ccc(F)cc1)C(=O)NC(N)=O ZINC000020308741 171143715 /nfs/dbraw/zinc/14/37/15/171143715.db2.gz PHSIDZPJLXWNEP-QMMMGPOBSA-N 1 0 253.277 0.541 10 0 CCAERO COc1cccc([C@@H](C[NH2+][C@@H](C)C(N)=O)N(C)C)c1 ZINC000020310014 171144219 /nfs/dbraw/zinc/14/42/19/171144219.db2.gz FMFBDMMFYRQUFF-GXFFZTMASA-N 1 0 265.357 0.761 10 0 CCAERO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCN(C)c1ccccc1 ZINC000020361830 171160267 /nfs/dbraw/zinc/16/02/67/171160267.db2.gz QGSWCRKOWVWEIX-GFCCVEGCSA-N 1 0 292.383 0.947 10 0 CCAERO C[C@@H](O)C[NH2+]Cc1cc(Cl)ccc1OCC(N)=O ZINC000020873324 171277499 /nfs/dbraw/zinc/27/74/99/171277499.db2.gz UKMHWBXZEXPSAS-MRVPVSSYSA-N 1 0 272.732 0.675 10 0 CCAERO CCCCN(CCC)S(=O)(=O)N1CC[NH2+]CC1 ZINC000021951762 171340298 /nfs/dbraw/zinc/34/02/98/171340298.db2.gz WIPFMZHPTMQJLD-UHFFFAOYSA-N 1 0 263.407 0.649 10 0 CCAERO C[NH+]1CCN(c2nc3sccn3c2CO)CC1 ZINC000022157868 171362921 /nfs/dbraw/zinc/36/29/21/171362921.db2.gz CWLUNUKASDTKNO-UHFFFAOYSA-N 1 0 252.343 0.640 10 0 CCAERO NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2C[NH3+])C1 ZINC000022175975 171370584 /nfs/dbraw/zinc/37/05/84/171370584.db2.gz LPGLXOGQGDHMED-NSHDSACASA-N 1 0 297.380 0.031 10 0 CCAERO CC[C@@H](CCO)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653091928 412215699 /nfs/dbraw/zinc/21/56/99/412215699.db2.gz MWZABBBWKIPCKB-IVZWLZJFSA-N 1 0 282.306 0.909 10 0 CCAERO COC[C@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CCO1 ZINC000653092438 412216089 /nfs/dbraw/zinc/21/60/89/412216089.db2.gz AEBGALJZPSMUMX-OPRDCNLKSA-N 1 0 296.289 0.258 10 0 CCAERO O=C(Cc1c[nH]c2ccccc12)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000653139166 412238096 /nfs/dbraw/zinc/23/80/96/412238096.db2.gz VMTBGDFQCBEEDP-RISCZKNCSA-N 1 0 273.336 0.407 10 0 CCAERO Cc1[nH]c2ccccc2c1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000653138894 412238854 /nfs/dbraw/zinc/23/88/54/412238854.db2.gz NEXMHUWMUCPNPL-MFKMUULPSA-N 1 0 273.336 0.786 10 0 CCAERO C[C@@H]([NH2+]CCC(N)=O)c1ccc2c(c1)OCCO2 ZINC000035149950 172012383 /nfs/dbraw/zinc/01/23/83/172012383.db2.gz AMDINKZOEXVWLW-SECBINFHSA-N 1 0 250.298 0.984 10 0 CCAERO CC(C)CCNC(=O)[C@@H](C)[NH2+]CC(=O)NC1CC1 ZINC000035207191 172051873 /nfs/dbraw/zinc/05/18/73/172051873.db2.gz UIVOBWMFGCSLEM-SNVBAGLBSA-N 1 0 255.362 0.405 10 0 CCAERO C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCOC)cc1 ZINC000035632843 172315587 /nfs/dbraw/zinc/31/55/87/172315587.db2.gz SWTGOBAMKUVWTI-JTQLQIEISA-N 1 0 272.370 0.892 10 0 CCAERO Cc1n[nH]c(C)c1S(=O)(=O)N[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000035691662 172360039 /nfs/dbraw/zinc/36/00/39/172360039.db2.gz KUGZMNWMSZWBIU-GZMMTYOYSA-N 1 0 286.401 0.835 10 0 CCAERO COc1ccc(C(=O)N[C@H]2C[NH2+]C[C@@H]2OC)cc1 ZINC000036235656 172532257 /nfs/dbraw/zinc/53/22/57/172532257.db2.gz NTROEEMRPQHRJM-RYUDHWBXSA-N 1 0 250.298 0.412 10 0 CCAERO COc1cccc(OC)c1C(=O)NC1[C@H]2C[NH2+]C[C@@H]12 ZINC000036236426 172533932 /nfs/dbraw/zinc/53/39/32/172533932.db2.gz AGQPBYPQRIJKCR-PHXKMMTBSA-N 1 0 262.309 0.651 10 0 CCAERO CN(C(=O)c1c(F)cccc1F)[C@@H]1C[NH2+]C[C@H]1O ZINC000036261585 172554724 /nfs/dbraw/zinc/55/47/24/172554724.db2.gz QRTBEZZSZAQERH-NXEZZACHSA-N 1 0 256.252 0.370 10 0 CCAERO [NH3+]Cc1c(F)cccc1OCC(=O)N1CCOCC1 ZINC000036307188 172599479 /nfs/dbraw/zinc/59/94/79/172599479.db2.gz JZPPSDGRWUXSPS-UHFFFAOYSA-N 1 0 268.288 0.522 10 0 CCAERO O=C(NCCc1cccc(F)c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000036779636 172696070 /nfs/dbraw/zinc/69/60/70/172696070.db2.gz SRRYAXXDGVDLQA-NEPJUHHUSA-N 1 0 252.289 0.207 10 0 CCAERO OCCn1ncc2c1CCC[C@H]2[NH2+]C[C@@H]1CCOC1 ZINC000037169323 173003445 /nfs/dbraw/zinc/00/34/45/173003445.db2.gz BMBQJDKBUGUWHN-WCQYABFASA-N 1 0 265.357 0.879 10 0 CCAERO CNC(=O)C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000037207536 173028338 /nfs/dbraw/zinc/02/83/38/173028338.db2.gz BPVOJLYBUCIRNL-VIFPVBQESA-N 1 0 250.298 0.854 10 0 CCAERO CN(C)C(=O)CNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000037225673 173045475 /nfs/dbraw/zinc/04/54/75/173045475.db2.gz OBYVEARQMDCBHY-UHFFFAOYSA-N 1 0 250.302 0.355 10 0 CCAERO CCCn1nnnc1CN(CC)C1CC[NH2+]CC1 ZINC000037538287 173258641 /nfs/dbraw/zinc/25/86/41/173258641.db2.gz XOXRWZWBDMWVOW-UHFFFAOYSA-N 1 0 252.366 0.657 10 0 CCAERO NC(=O)CN(C(=O)CC1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000037540529 173262162 /nfs/dbraw/zinc/26/21/62/173262162.db2.gz LJPXEPUYZFJHDO-LBPRGKRZSA-N 1 0 267.373 0.633 10 0 CCAERO CN([C@@H]1CCC[NH2+]C1)S(=O)(=O)N1CCCCC1 ZINC000037540666 173262172 /nfs/dbraw/zinc/26/21/72/173262172.db2.gz SMHREVBBWKGOLQ-LLVKDONJSA-N 1 0 261.391 0.401 10 0 CCAERO C[C@@H]([NH3+])CC(=O)Nc1cc(S(C)(=O)=O)ccc1F ZINC000037608264 173556387 /nfs/dbraw/zinc/55/63/87/173556387.db2.gz RBUSKBFHWNBNHU-SSDOTTSWSA-N 1 0 274.317 0.905 10 0 CCAERO CCOc1cc(CC[NH3+])ccc1O[C@@H](C)C(N)=O ZINC000037721158 173639372 /nfs/dbraw/zinc/63/93/72/173639372.db2.gz OMVOBYKVIKZFOP-VIFPVBQESA-N 1 0 252.314 0.839 10 0 CCAERO CCN(C1CC[NH2+]CC1)S(=O)(=O)c1c[nH]nc1C ZINC000037730702 173650685 /nfs/dbraw/zinc/65/06/85/173650685.db2.gz FJGMEVRYQXHQHS-UHFFFAOYSA-N 1 0 272.374 0.481 10 0 CCAERO CC(C)NC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000037768255 173698108 /nfs/dbraw/zinc/69/81/08/173698108.db2.gz MAQITZYTLBWKHI-OLZOCXBDSA-N 1 0 291.351 0.486 10 0 CCAERO CCOC(=O)[C@@H]1CSCCN1C(=O)CC[NH2+]C1CC1 ZINC000037803920 173743488 /nfs/dbraw/zinc/74/34/88/173743488.db2.gz ULSOXQJISBHAQS-NSHDSACASA-N 1 0 286.397 0.636 10 0 CCAERO CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](CNC(N)=O)C1 ZINC000037820947 173773479 /nfs/dbraw/zinc/77/34/79/173773479.db2.gz HPRPRZHLWPYOBG-MNOVXSKESA-N 1 0 270.377 0.411 10 0 CCAERO CN(Cc1cccc(O)c1)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000037824114 173778536 /nfs/dbraw/zinc/77/85/36/173778536.db2.gz ANJYLKFCRNQBGZ-VXGBXAGGSA-N 1 0 250.298 0.073 10 0 CCAERO CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)CCO)cc1 ZINC000037899659 173827922 /nfs/dbraw/zinc/82/79/22/173827922.db2.gz OUBAHDYNGLWJMN-NSHDSACASA-N 1 0 286.397 0.970 10 0 CCAERO [NH3+]CCN(CCN1CCNC1=O)Cc1ccccc1 ZINC000038033236 174030834 /nfs/dbraw/zinc/03/08/34/174030834.db2.gz YCIUHGYBGRSAIJ-UHFFFAOYSA-N 1 0 262.357 0.473 10 0 CCAERO C[NH+](C)CCN1CCC([N@@H+]2CCC[C@H]2C(=O)[O-])CC1 ZINC000038042647 174045958 /nfs/dbraw/zinc/04/59/58/174045958.db2.gz DXNDRHKIJXWIAN-ZDUSSCGKSA-N 1 0 269.389 0.561 10 0 CCAERO O=C(NC[C@@H]1CCOC1)[C@H]1CCCN1C1CC[NH2+]CC1 ZINC000038043289 174050213 /nfs/dbraw/zinc/05/02/13/174050213.db2.gz GIUUDCPXMVQISB-GXTWGEPZSA-N 1 0 281.400 0.356 10 0 CCAERO C[C@@H]([NH2+]CCCS(C)(=O)=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000038047438 174058111 /nfs/dbraw/zinc/05/81/11/174058111.db2.gz ANABHEIMGQGJBC-SECBINFHSA-N 1 0 297.380 0.942 10 0 CCAERO CCN(CC)C(=O)[C@H](C)[NH2+]CCCS(C)(=O)=O ZINC000038048146 174058481 /nfs/dbraw/zinc/05/84/81/174058481.db2.gz GZBQNRUVGRCVNR-JTQLQIEISA-N 1 0 264.391 0.268 10 0 CCAERO CCCCCNC(=O)[C@@H](C)[NH2+]CCCS(C)(=O)=O ZINC000038048117 174058647 /nfs/dbraw/zinc/05/86/47/174058647.db2.gz SRNYIEQYSDZFRX-LLVKDONJSA-N 1 0 278.418 0.706 10 0 CCAERO Cc1n[nH]c(C)c1S(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000038050398 174061701 /nfs/dbraw/zinc/06/17/01/174061701.db2.gz QIMOQQUFRAVTKX-VHSXEESVSA-N 1 0 272.374 0.575 10 0 CCAERO COC(=O)c1ccc(N[C@H]2CCCC[C@@H]2[NH3+])nn1 ZINC000038051130 174062658 /nfs/dbraw/zinc/06/26/58/174062658.db2.gz MZVAWJPROZKTTK-IUCAKERBSA-N 1 0 250.302 0.945 10 0 CCAERO [NH3+]CCCCCC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000038083699 174093657 /nfs/dbraw/zinc/09/36/57/174093657.db2.gz CEVJNPZQGQUELE-SNVBAGLBSA-N 1 0 262.375 0.056 10 0 CCAERO CS(=O)(=O)CCN(CCC(N)=[NH2+])c1ccccc1 ZINC000038085684 174096816 /nfs/dbraw/zinc/09/68/16/174096816.db2.gz YAIAVFZYBCKWLB-UHFFFAOYSA-N 1 0 269.370 0.864 10 0 CCAERO CC[C@H](C)N1C(=O)C[C@H]([NH2+]C[C@@H](C)N(C)C)C1=O ZINC000038089039 174102716 /nfs/dbraw/zinc/10/27/16/174102716.db2.gz SXCNITSZYVRIPW-AXFHLTTASA-N 1 0 255.362 0.452 10 0 CCAERO CC(C)OCCOC[C@H](O)C[NH2+]CC[C@@H]1CCCO1 ZINC000038096667 174111002 /nfs/dbraw/zinc/11/10/02/174111002.db2.gz PIGQLXXROWAPKR-KGLIPLIRSA-N 1 0 275.389 0.948 10 0 CCAERO COC(=O)N1CCN(C(=O)C2([NH3+])CCCCC2)CC1 ZINC000038101828 174117897 /nfs/dbraw/zinc/11/78/97/174117897.db2.gz CXYQNHOAUJZFDI-UHFFFAOYSA-N 1 0 269.345 0.559 10 0 CCAERO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC(N)=O)cc1OC ZINC000040447363 174264939 /nfs/dbraw/zinc/26/49/39/174264939.db2.gz JFNLZKGMEJKTJD-DTWKUNHWSA-N 1 0 295.339 0.938 10 0 CCAERO CN1CCN(C(=O)[C@]2(C)CCCC[NH2+]2)CCC1=O ZINC000662694712 414742386 /nfs/dbraw/zinc/74/23/86/414742386.db2.gz BKABKMFVGMKFSA-ZDUSSCGKSA-N 1 0 253.346 0.209 10 0 CCAERO COC[C@@]1(C(=O)N2CCC[C@H](OC)CC2)CCC[NH2+]1 ZINC000662835324 414829048 /nfs/dbraw/zinc/82/90/48/414829048.db2.gz MHWUBVYMXGXXIE-GXTWGEPZSA-N 1 0 270.373 0.783 10 0 CCAERO COC[C@H](CCNC(=O)C1CCC([NH3+])CC1)OC ZINC000662848182 414839588 /nfs/dbraw/zinc/83/95/88/414839588.db2.gz VRVXIEYUMIGKIC-MCIGGMRASA-N 1 0 258.362 0.672 10 0 CCAERO C[C@@]1(C(F)F)CN(C(=O)C2(C[NH3+])CCOCC2)CCO1 ZINC000663003068 414943044 /nfs/dbraw/zinc/94/30/44/414943044.db2.gz VJJXDWLYNMABJW-LBPRGKRZSA-N 1 0 292.326 0.625 10 0 CCAERO COC[C@H]([NH3+])C(=O)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000662952871 414913800 /nfs/dbraw/zinc/91/38/00/414913800.db2.gz ZZLHACVHVMWXJF-YUMQZZPRSA-N 1 0 270.251 0.140 10 0 CCAERO C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000662956232 414915266 /nfs/dbraw/zinc/91/52/66/414915266.db2.gz NRVIYHPWBZJIIL-RKDXNWHRSA-N 1 0 253.302 0.122 10 0 CCAERO C[C@@H](CNC(=O)CC[C@H]1CCC[NH2+]1)S(C)(=O)=O ZINC000662973683 414928583 /nfs/dbraw/zinc/92/85/83/414928583.db2.gz UHSDCJZIUQHZRW-VHSXEESVSA-N 1 0 262.375 0.068 10 0 CCAERO CN(C(=O)CCn1ccnn1)[C@@H](C[NH3+])C(F)(F)F ZINC000662975689 414929808 /nfs/dbraw/zinc/92/98/08/414929808.db2.gz APIOZQXQGQCRJW-ZETCQYMHSA-N 1 0 265.239 0.016 10 0 CCAERO Cc1nn(C)cc1C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662982729 414933869 /nfs/dbraw/zinc/93/38/69/414933869.db2.gz XEXWUUZAOCHHAI-QMMMGPOBSA-N 1 0 264.251 0.690 10 0 CCAERO COC[C@]1(C(=O)N2CCO[C@@](C)(C(F)F)C2)CCC[NH2+]1 ZINC000663001504 414940709 /nfs/dbraw/zinc/94/07/09/414940709.db2.gz DXVHYAJHQHPRHI-OLZOCXBDSA-N 1 0 292.326 0.638 10 0 CCAERO CN1C[C@@H](CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1=O ZINC000662886314 414869566 /nfs/dbraw/zinc/86/95/66/414869566.db2.gz DHEHZPKKOUEPMU-LDYMZIIASA-N 1 0 293.289 0.123 10 0 CCAERO O=C(COc1ccc(CO)cc1)N1CCC[NH2+]CC1 ZINC000042355205 174694205 /nfs/dbraw/zinc/69/42/05/174694205.db2.gz LPKPOILHAKURLR-UHFFFAOYSA-N 1 0 264.325 0.380 10 0 CCAERO C[C@H]([NH3+])c1ccc(S(=O)(=O)NCc2cn[nH]c2)cc1 ZINC000042356661 174694754 /nfs/dbraw/zinc/69/47/54/174694754.db2.gz PMXKOBDDWISOMK-VIFPVBQESA-N 1 0 280.353 0.908 10 0 CCAERO O[C@@H](C[NH2+]CCn1cccn1)COC1CCCC1 ZINC000042540640 174785468 /nfs/dbraw/zinc/78/54/68/174785468.db2.gz AFKWESLYEHMYOX-LBPRGKRZSA-N 1 0 253.346 0.793 10 0 CCAERO C[C@@H]1CN(C(=O)C2([NH3+])CCOCC2)C[C@](C)(C(F)F)O1 ZINC000663006713 414945889 /nfs/dbraw/zinc/94/58/89/414945889.db2.gz YKSBTACVBQLJAB-BXKDBHETSA-N 1 0 292.326 0.765 10 0 CCAERO C[C@H]1CN(C(=O)C2([NH3+])CCOCC2)C[C@@](C)(C(F)F)O1 ZINC000663006715 414946372 /nfs/dbraw/zinc/94/63/72/414946372.db2.gz YKSBTACVBQLJAB-CABZTGNLSA-N 1 0 292.326 0.765 10 0 CCAERO OCC1CC([NH2+]C[C@@H](O)COCc2cccs2)C1 ZINC000663374137 415052577 /nfs/dbraw/zinc/05/25/77/415052577.db2.gz FNLCWDKAZFFPAJ-HTAVTVPLSA-N 1 0 271.382 0.986 10 0 CCAERO OCC1CC([NH2+]C[C@H](O)COc2ccccc2F)C1 ZINC000663373986 415054090 /nfs/dbraw/zinc/05/40/90/415054090.db2.gz ABYKJPZJOHUVNY-MCIGGMRASA-N 1 0 269.316 0.926 10 0 CCAERO C[C@H](N(C)S(=O)(=O)CCN1CC[NH2+]CC1)C(C)(C)C ZINC000042782325 174878124 /nfs/dbraw/zinc/87/81/24/174878124.db2.gz LWNIZHKLUHASIP-LBPRGKRZSA-N 1 0 291.461 0.588 10 0 CCAERO COc1ccc([C@H]([C@@H](C)[NH3+])N(CCO)CCO)cc1 ZINC000042961377 174926280 /nfs/dbraw/zinc/92/62/80/174926280.db2.gz UKFHFXAFOZBJCR-RISCZKNCSA-N 1 0 268.357 0.370 10 0 CCAERO COC[C@H](O)CN(C)[C@@H](C[NH3+])c1cccc(F)c1 ZINC000042972942 174936710 /nfs/dbraw/zinc/93/67/10/174936710.db2.gz XFVWHLPDTGPWOG-OLZOCXBDSA-N 1 0 256.321 0.765 10 0 CCAERO CS(=O)(=O)c1ccc(CNC(=O)C2CC[NH2+]CC2)cc1 ZINC000045174066 175322849 /nfs/dbraw/zinc/32/28/49/175322849.db2.gz UIBFMMPHQCIGED-UHFFFAOYSA-N 1 0 296.392 0.706 10 0 CCAERO CN(C)c1nc(Cl)nc(N(C)C[C@H]2CC[N@H+](C)C2)n1 ZINC000071192719 176074649 /nfs/dbraw/zinc/07/46/49/176074649.db2.gz LRUQKKCGNCIPMO-VIFPVBQESA-N 1 0 284.795 0.979 10 0 CCAERO Cc1cccnc1CNS(=O)(=O)C[C@@H]1CCC[NH2+]C1 ZINC000071345456 176131500 /nfs/dbraw/zinc/13/15/00/176131500.db2.gz YQWLVQTYNGDLRH-GFCCVEGCSA-N 1 0 283.397 0.809 10 0 CCAERO C[NH2+]CCS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000071582253 176207466 /nfs/dbraw/zinc/20/74/66/176207466.db2.gz YCIHGTDCEQSXGB-UHFFFAOYSA-N 1 0 257.311 0.451 10 0 CCAERO CCOc1ccc(C[C@H](O)CN2CC[NH2+]CC2)cc1 ZINC000071597045 176220457 /nfs/dbraw/zinc/22/04/57/176220457.db2.gz WNNNEFGLCZYMGB-AWEZNQCLSA-N 1 0 264.369 0.894 10 0 CCAERO Cc1cccc[n+]1-c1ccncc1S(N)(=O)=O ZINC000072106414 176316175 /nfs/dbraw/zinc/31/61/75/176316175.db2.gz YWTLFBPFVUMTCY-UHFFFAOYSA-N 1 0 250.303 0.314 10 0 CCAERO COCCn1cncc1C[N@@H+]1CCC[C@@](O)(CO)CC1 ZINC000072144908 176325143 /nfs/dbraw/zinc/32/51/43/176325143.db2.gz GLUQFLUHVLOICD-AWEZNQCLSA-N 1 0 283.372 0.239 10 0 CCAERO CN(Cc1ccccc1)C[C@H](C[NH3+])N1CCOCC1 ZINC000076678766 177057029 /nfs/dbraw/zinc/05/70/29/177057029.db2.gz BYWVAKYRSBUGPO-HNNXBMFYSA-N 1 0 263.385 0.778 10 0 CCAERO C[NH2+]CC(=O)NCCCc1ccc2c(c1)OCO2 ZINC000077431391 177266964 /nfs/dbraw/zinc/26/69/64/177266964.db2.gz ORLUKRWSICMAIH-UHFFFAOYSA-N 1 0 250.298 0.684 10 0 CCAERO CC(C)S(=O)(=O)N1CC2(C[NH2+]C2)C(F)(F)C1 ZINC000685949066 545872445 /nfs/dbraw/zinc/87/24/45/545872445.db2.gz JVUSKIMMGMUYFF-UHFFFAOYSA-N 1 0 254.302 0.265 10 0 CCAERO C[NH2+][C@@H](C)c1ccc(-n2cc(S(C)(=O)=O)cn2)cn1 ZINC000725250500 545875266 /nfs/dbraw/zinc/87/52/66/545875266.db2.gz HAFUMMSHEHSQHT-VIFPVBQESA-N 1 0 280.353 0.951 10 0 CCAERO CC[NH2+][C@H](Cn1cc(S(C)(=O)=O)cn1)C1CC1 ZINC000725253372 545878856 /nfs/dbraw/zinc/87/88/56/545878856.db2.gz UHYBTZYUTITTBQ-LLVKDONJSA-N 1 0 257.359 0.675 10 0 CCAERO C[NH2+]Cc1nnn(CCCF)c1-c1ccnn1C ZINC000725256891 545880741 /nfs/dbraw/zinc/88/07/41/545880741.db2.gz CNSWBXTYBMZMAS-UHFFFAOYSA-N 1 0 252.297 0.758 10 0 CCAERO O=C1C[C@H]([N@@H+]2CC[C@H](CO)C2)C[C@@H](C(F)(F)F)N1 ZINC000725263129 545883514 /nfs/dbraw/zinc/88/35/14/545883514.db2.gz QCOXSCLKIKROGQ-YIZRAAEISA-N 1 0 266.263 0.510 10 0 CCAERO CCOC(=O)C1CC2(C1)C[C@H]([NH3+])CCS2(=O)=O ZINC000725265212 545884234 /nfs/dbraw/zinc/88/42/34/545884234.db2.gz OQYMRCHBVFYFSH-INWMGODYSA-N 1 0 261.343 0.234 10 0 CCAERO COCCN1CC[NH+](C[C@H]2C[C@]2(CO)C(C)C)CC1 ZINC000725267114 545885877 /nfs/dbraw/zinc/88/58/77/545885877.db2.gz OBCMPBCZMYEXIR-CABCVRRESA-N 1 0 270.417 0.905 10 0 CCAERO COC(=O)[C@@H]1CCCN([C@@H]2COC[C@H]2C[NH+](C)C)C1 ZINC000725273852 545889508 /nfs/dbraw/zinc/88/95/08/545889508.db2.gz NCLBYKCDGURWTI-JHJVBQTASA-N 1 0 270.373 0.448 10 0 CCAERO C[NH2+][C@H](C)C(=O)N(C)CC(=O)N(C)C1CCCCC1 ZINC000054075382 544441691 /nfs/dbraw/zinc/44/16/91/544441691.db2.gz XVQKMJIEGWZSGD-LLVKDONJSA-N 1 0 269.389 0.844 10 0 CCAERO C[C@]1(C(=O)N2CCN(Cc3ccccn3)CC2)CCC[NH2+]1 ZINC000079516772 544474481 /nfs/dbraw/zinc/47/44/81/544474481.db2.gz AOXMAPSLRFLYHE-MRXNPFEDSA-N 1 0 288.395 0.868 10 0 CCAERO [NH3+]C1CCC(C(=O)NCCCC(=O)NC2CC2)CC1 ZINC000092997104 544536835 /nfs/dbraw/zinc/53/68/35/544536835.db2.gz JDDNWJFCHRBZDG-UHFFFAOYSA-N 1 0 267.373 0.679 10 0 CCAERO O=C(COC1CC[NH2+]CC1)NC[C@@H]1CCC[C@@H]1O ZINC000089169976 544512043 /nfs/dbraw/zinc/51/20/43/544512043.db2.gz OTOZICHHWZFAPS-JQWIXIFHSA-N 1 0 256.346 0.032 10 0 CCAERO Cc1cc(NC(=O)CN(C)C(=O)[C@H]2CCC[C@@H]2C[NH3+])no1 ZINC000089456905 544513005 /nfs/dbraw/zinc/51/30/05/544513005.db2.gz IEUPFXXSMVACDD-MNOVXSKESA-N 1 0 294.355 0.755 10 0 CCAERO [NH3+]CCn1cc(C(=O)N2CCO[C@H]3CCCC[C@H]32)nn1 ZINC000089699639 544516136 /nfs/dbraw/zinc/51/61/36/544516136.db2.gz KJAOJRKJJLTKLB-NEPJUHHUSA-N 1 0 279.344 0.020 10 0 CCAERO C[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H](C(N)=O)C1 ZINC000408374899 287549368 /nfs/dbraw/zinc/54/93/68/287549368.db2.gz JCUZAMWKTQHIBS-KWCYVHTRSA-N 1 0 293.411 0.973 10 0 CCAERO CC[NH+](CC)CCCNC(=O)N1CCC[C@H]1C(=O)NC ZINC000154895507 544672456 /nfs/dbraw/zinc/67/24/56/544672456.db2.gz WRUVYSCQRVXZCW-LBPRGKRZSA-N 1 0 284.404 0.638 10 0 CCAERO Cc1ccc(NC(=O)C[C@@H]([NH3+])C(C)C)cc1S(N)(=O)=O ZINC000136426412 544639289 /nfs/dbraw/zinc/63/92/89/544639289.db2.gz IVANQSLHKOZTIF-LLVKDONJSA-N 1 0 299.396 0.954 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000136372439 544639434 /nfs/dbraw/zinc/63/94/34/544639434.db2.gz MDJFVLQLVXQJPT-LBPRGKRZSA-N 1 0 293.371 0.474 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)NCCCC(=O)NC1CC1 ZINC000136485997 544639457 /nfs/dbraw/zinc/63/94/57/544639457.db2.gz VUIWCHUJNLGBPX-LLVKDONJSA-N 1 0 255.362 0.535 10 0 CCAERO COCCCS(=O)(=O)NCC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000183198758 544765520 /nfs/dbraw/zinc/76/55/20/544765520.db2.gz YWPCDKWOLZESQL-NEPJUHHUSA-N 1 0 294.417 0.099 10 0 CCAERO CNC(=O)[C@H]([NH2+]C[C@H](O)COCc1ccco1)C(C)C ZINC000183684364 544769805 /nfs/dbraw/zinc/76/98/05/544769805.db2.gz WMLSIOZLHUSUFI-WCQYABFASA-N 1 0 284.356 0.517 10 0 CCAERO NC(=O)c1cnccc1NC[C@H](O)C[NH+]1CCCCC1 ZINC000184058179 544771907 /nfs/dbraw/zinc/77/19/07/544771907.db2.gz AVONNVCOYJAAMY-NSHDSACASA-N 1 0 278.356 0.439 10 0 CCAERO COc1cnccc1[C@H](C)[NH2+]C[C@H](O)CN1CCCC1=O ZINC000187109494 544778835 /nfs/dbraw/zinc/77/88/35/544778835.db2.gz OHBREFMKSHQSHM-RYUDHWBXSA-N 1 0 293.367 0.724 10 0 CCAERO CC[C@H]1CN(C(=O)CCc2c[nH]cn2)CC[N@@H+]1CCOC ZINC000193292995 544804767 /nfs/dbraw/zinc/80/47/67/544804767.db2.gz DKNUJBIVFUWNED-AWEZNQCLSA-N 1 0 294.399 0.912 10 0 CCAERO CCCCN1CCOC[C@H]1C(=O)N[C@@H]1CCN(C)C(=O)C1 ZINC000194171460 544808319 /nfs/dbraw/zinc/80/83/19/544808319.db2.gz CYGDITFQRIMYQL-OLZOCXBDSA-N 1 0 297.399 0.224 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCCN1CCSCC1 ZINC000227432434 544835134 /nfs/dbraw/zinc/83/51/34/544835134.db2.gz HNBFCYVOBBSNIN-RYUDHWBXSA-N 1 0 271.430 0.526 10 0 CCAERO CCOCCS(=O)(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000226463284 544831656 /nfs/dbraw/zinc/83/16/56/544831656.db2.gz BGLNHMCACDSIQC-NSHDSACASA-N 1 0 264.391 0.427 10 0 CCAERO CCN(C)C(=O)[C@H](C)NC(=O)C1CCC([NH3+])CC1 ZINC000231854547 544861427 /nfs/dbraw/zinc/86/14/27/544861427.db2.gz RJJXDZXIZZUDJI-WHXUTIOJSA-N 1 0 255.362 0.487 10 0 CCAERO Cc1cnc([C@H](C)NC(=O)C[C@@H]2COCC[NH2+]2)o1 ZINC000231744526 544860236 /nfs/dbraw/zinc/86/02/36/544860236.db2.gz XGETZLMCMOHPLR-VHSXEESVSA-N 1 0 253.302 0.539 10 0 CCAERO CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CNC3=[NH+]CCN32)C1 ZINC000232498670 544863809 /nfs/dbraw/zinc/86/38/09/544863809.db2.gz QFZCTEOMFPQMHZ-MNOVXSKESA-N 1 0 280.372 0.887 10 0 CCAERO CCS(=O)(=O)c1ccc(NC[C@@H]2COCC[NH2+]2)cc1 ZINC000233812307 544867731 /nfs/dbraw/zinc/86/77/31/544867731.db2.gz OOXXBNFUTJGHQW-GFCCVEGCSA-N 1 0 284.381 0.881 10 0 CCAERO FC(F)(F)c1nnc(NC[C@@H]2COCC[NH2+]2)s1 ZINC000236126659 544878604 /nfs/dbraw/zinc/87/86/04/544878604.db2.gz SWEVPDUSHLXICV-RXMQYKEDSA-N 1 0 268.264 0.957 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[C@@](C)(C(N)=O)C1 ZINC000235297529 544874116 /nfs/dbraw/zinc/87/41/16/544874116.db2.gz HZSCTVZDYIPODL-OUJBWJOFSA-N 1 0 253.346 0.098 10 0 CCAERO CNC(=O)[C@@H]1CCCN1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000250379665 544923274 /nfs/dbraw/zinc/92/32/74/544923274.db2.gz LTHQXIRACFHRKW-KKUMJFAQSA-N 1 0 291.395 0.128 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cc(F)c(F)cc1Cl ZINC000262054560 544938300 /nfs/dbraw/zinc/93/83/00/544938300.db2.gz AJYCVOYSEDPQAQ-UPONEAKYSA-N 1 0 290.697 0.928 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cc(-c2ccccc2)on1 ZINC000262102110 544938922 /nfs/dbraw/zinc/93/89/22/544938922.db2.gz DVROEJKOVYYTAB-WCQYABFASA-N 1 0 287.319 0.652 10 0 CCAERO COc1ccc(CCC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262094523 544939808 /nfs/dbraw/zinc/93/98/08/544939808.db2.gz DGCXWKLTBIYEBN-OCCSQVGLSA-N 1 0 278.352 0.324 10 0 CCAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1cccc2c1OCCO2 ZINC000262107062 544940906 /nfs/dbraw/zinc/94/09/06/544940906.db2.gz JRTXUNDRTOMLNY-RYUDHWBXSA-N 1 0 264.325 0.128 10 0 CCAERO C[C@]1(C(N)=O)CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000300532164 544980736 /nfs/dbraw/zinc/98/07/36/544980736.db2.gz OEIOYJRBQPHSQE-KWBADKCTSA-N 1 0 253.346 0.228 10 0 CCAERO O=C(CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)NCC1CC1 ZINC000333856407 545043726 /nfs/dbraw/zinc/04/37/26/545043726.db2.gz YIRHIZZPQBFOJV-HNNXBMFYSA-N 1 0 294.399 0.298 10 0 CCAERO CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@@H]1CCCC(=O)N1 ZINC000333963386 545044605 /nfs/dbraw/zinc/04/46/05/545044605.db2.gz NWJGUSDNYUXRKE-NEPJUHHUSA-N 1 0 267.373 0.598 10 0 CCAERO CC(C)(C)[C@@H](O)CNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000324364417 545016893 /nfs/dbraw/zinc/01/68/93/545016893.db2.gz RTIXKNZPNUXQKN-QWRGUYRKSA-N 1 0 254.374 0.899 10 0 CCAERO Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cn(C)nn3)C2)nn1 ZINC000328852286 545019528 /nfs/dbraw/zinc/01/95/28/545019528.db2.gz BTKXYCBZZUGUNI-GFCCVEGCSA-N 1 0 287.371 0.672 10 0 CCAERO CC1CC[NH+](C[C@@H](O)CNC(=O)[C@@H]2CCOC2)CC1 ZINC000332733240 545032192 /nfs/dbraw/zinc/03/21/92/545032192.db2.gz PFAGHGOHCOCEDY-OLZOCXBDSA-N 1 0 270.373 0.232 10 0 CCAERO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCO[C@@H]1C ZINC000332765302 545032962 /nfs/dbraw/zinc/03/29/62/545032962.db2.gz MMWWDABPBJYGAK-AAXDQBDMSA-N 1 0 267.373 0.946 10 0 CCAERO Cn1ncc2c1nc(NC[C@]1(C)CCC[NH2+]C1)nc2N ZINC000333620328 545040759 /nfs/dbraw/zinc/04/07/59/545040759.db2.gz ZIXBRZSZSDSESR-CYBMUJFWSA-N 1 0 275.360 0.169 10 0 CCAERO O=C(NC[C@@H]1CC[NH2+]C1)N1CCOc2cc(O)ccc2C1 ZINC000333714097 545042037 /nfs/dbraw/zinc/04/20/37/545042037.db2.gz STNYGZGNXGGJID-LLVKDONJSA-N 1 0 291.351 0.906 10 0 CCAERO CC(C)[C@H](C(=O)NC[C@H]1CN(C)CCO1)[C@H](C)[NH3+] ZINC000399453012 269767276 /nfs/dbraw/zinc/76/72/76/269767276.db2.gz RYVDJJPIIPVEQG-SRVKXCTJSA-N 1 0 257.378 0.053 10 0 CCAERO CCOc1ccccc1C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000521993963 269780169 /nfs/dbraw/zinc/78/01/69/269780169.db2.gz QXRRXBMRXWYJKD-GXTWGEPZSA-N 1 0 276.336 0.898 10 0 CCAERO CCC[C@H](C(=O)NC[C@@](C)(O)CCOC)[NH+](C)C ZINC000179522320 260053235 /nfs/dbraw/zinc/05/32/35/260053235.db2.gz XERYDWFSRGGDLK-YPMHNXCESA-N 1 0 260.378 0.620 10 0 CCAERO CC[C@H](O)C[NH+]1CCN([C@H]2CCN(C(C)C)C2=O)CC1 ZINC000175275458 261218455 /nfs/dbraw/zinc/21/84/55/261218455.db2.gz VMVCOMBZTOBPKQ-KBPBESRZSA-N 1 0 283.416 0.384 10 0 CCAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1cnc(N)cn1 ZINC000228577050 262343542 /nfs/dbraw/zinc/34/35/42/262343542.db2.gz VNXHHXCFLQSVBQ-WDEREUQCSA-N 1 0 275.356 0.758 10 0 CCAERO COC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000520245912 265705911 /nfs/dbraw/zinc/70/59/11/265705911.db2.gz XTHMVNJXRLKNIL-GRYCIOLGSA-N 1 0 268.357 0.916 10 0 CCAERO O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCc2ccc(Cl)cc21 ZINC000262535464 275006746 /nfs/dbraw/zinc/00/67/46/275006746.db2.gz QHCDNOCFWSBWJD-QWRGUYRKSA-N 1 0 266.728 0.952 10 0 CCAERO CC(C)[C@H](CNC(=O)[C@@H]1COCCN1)[NH+]1CCC(C)CC1 ZINC000164905897 275699752 /nfs/dbraw/zinc/69/97/52/275699752.db2.gz PMZUNJIRAQLDOA-GJZGRUSLSA-N 1 0 297.443 0.848 10 0 CCAERO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H](C)NC(N)=O)cc1 ZINC000262537059 275746602 /nfs/dbraw/zinc/74/66/02/275746602.db2.gz BSJTUHMUKZNKCQ-GWCFXTLKSA-N 1 0 292.383 0.983 10 0 CCAERO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000329023686 276032062 /nfs/dbraw/zinc/03/20/62/276032062.db2.gz MYXXARAGDWJWIW-BXUZGUMPSA-N 1 0 291.399 0.708 10 0 CCAERO CC1(C)CN(S(=O)(=O)[C@@H]2CCCOC2)CC[C@@H]1[NH3+] ZINC000261746317 276134512 /nfs/dbraw/zinc/13/45/12/276134512.db2.gz VOVGKAZCSRCLAY-MNOVXSKESA-N 1 0 276.402 0.554 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCc3ncnn3C2)C1 ZINC000112745417 276375527 /nfs/dbraw/zinc/37/55/27/276375527.db2.gz VHIATZFVNPCAFA-NWDGAFQWSA-N 1 0 292.387 0.376 10 0 CCAERO CC(C)(C)n1ncnc1CNC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333827400 277292376 /nfs/dbraw/zinc/29/23/76/277292376.db2.gz SDZQSWAGNWKFRH-NSHDSACASA-N 1 0 294.403 0.974 10 0 CCAERO CC(C)CS(=O)(=O)CC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261888680 277427842 /nfs/dbraw/zinc/42/78/42/277427842.db2.gz UXHBKKJZVDGWIY-RYUDHWBXSA-N 1 0 290.429 0.643 10 0 CCAERO C[C@@]1(C(=O)N2CC[C@@H](N3CCOCC3)C2)CCCC[NH2+]1 ZINC000136203179 278118233 /nfs/dbraw/zinc/11/82/33/278118233.db2.gz GCYCGCRKZJWLIJ-HIFRSBDPSA-N 1 0 281.400 0.452 10 0 CCAERO C[C@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173928985 278150685 /nfs/dbraw/zinc/15/06/85/278150685.db2.gz AVPKJAVCNSMUSY-HIFRSBDPSA-N 1 0 295.427 0.840 10 0 CCAERO C[C@@H]1CN(c2cc(-n3cccn3)nc(N)[nH+]2)C[C@@H](C)O1 ZINC000268436171 278799087 /nfs/dbraw/zinc/79/90/87/278799087.db2.gz SPAJBVMSTQIBNB-NXEZZACHSA-N 1 0 274.328 0.858 10 0 CCAERO CC(C)CNC(=O)[C@@H](C)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247084132 278915282 /nfs/dbraw/zinc/91/52/82/278915282.db2.gz HFCQINSRZPQYHX-OLZOCXBDSA-N 1 0 271.405 0.410 10 0 CCAERO CCN(C)C(=O)[C@@H](C)NC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000249059171 279022773 /nfs/dbraw/zinc/02/27/73/279022773.db2.gz JIBBEKBFTGCXFI-CHWSQXEVSA-N 1 0 298.431 0.979 10 0 CCAERO CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H]2CN(C)CCO2)C1 ZINC000176437722 279150009 /nfs/dbraw/zinc/15/00/09/279150009.db2.gz YROAJBCDWJHVQB-KGLIPLIRSA-N 1 0 298.431 0.443 10 0 CCAERO CC[C@H](O)C[NH+]1CCN(CCC(=O)NC(C)C)CC1 ZINC000174089322 288110540 /nfs/dbraw/zinc/11/05/40/288110540.db2.gz JZVMCQWXZFLJAS-ZDUSSCGKSA-N 1 0 271.405 0.290 10 0 CCAERO CCN1C[C@H](NC(=O)[C@]2(C)CCCC[NH2+]2)CC1=O ZINC000335437442 279461109 /nfs/dbraw/zinc/46/11/09/279461109.db2.gz WCNRHRQXMQPYID-MFKMUULPSA-N 1 0 253.346 0.256 10 0 CCAERO [NH3+]Cc1cc(I)[nH]c(=O)c1 ZINC000095766952 279658328 /nfs/dbraw/zinc/65/83/28/279658328.db2.gz CZMPILLRZGVPFY-UHFFFAOYSA-N 1 0 250.039 0.851 10 0 CCAERO CCO[C@@H]1C[C@@H](NC(=O)N2CC[NH2+]C[C@@H]2C)[C@@]12CCCO2 ZINC000333711516 279806298 /nfs/dbraw/zinc/80/62/98/279806298.db2.gz FNAJCMHTYAASAF-JLNYLFASSA-N 1 0 297.399 0.716 10 0 CCAERO O=C(Nc1ncccc1O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188801718 280065277 /nfs/dbraw/zinc/06/52/77/280065277.db2.gz VBVNUDZOKWPOPV-UHFFFAOYSA-N 1 0 259.269 0.408 10 0 CCAERO C[C@H]1OCC[C@H]1NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000333512185 280065859 /nfs/dbraw/zinc/06/58/59/280065859.db2.gz FPFWGSIGIBIIDL-KSSYENDESA-N 1 0 267.373 0.933 10 0 CCAERO CC(C)[C@@]1(C)C[C@@H]1NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333675647 280122774 /nfs/dbraw/zinc/12/27/74/280122774.db2.gz YXCFLKFLNDTRPY-MRBYEJRBSA-N 1 0 255.362 0.395 10 0 CCAERO O=C([C@H]1CNC(=O)C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000110433104 280143885 /nfs/dbraw/zinc/14/38/85/280143885.db2.gz WMPDKGNMZRZTOX-VXGBXAGGSA-N 1 0 265.357 0.209 10 0 CCAERO Cc1n[nH]cc1S(=O)(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000235642198 280195427 /nfs/dbraw/zinc/19/54/27/280195427.db2.gz MFKVODVGMQIEGI-WCBMZHEXSA-N 1 0 272.374 0.466 10 0 CCAERO CC[C@@H](O)C[NH+]1CCN(CCC(=O)OC(C)C)CC1 ZINC000174070454 280207248 /nfs/dbraw/zinc/20/72/48/280207248.db2.gz UILVRIUGIAMSKW-CYBMUJFWSA-N 1 0 272.389 0.717 10 0 CCAERO Cc1cc(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)nn1C ZINC000261585263 280333776 /nfs/dbraw/zinc/33/37/76/280333776.db2.gz SXRQUKTZHWJCBN-LLVKDONJSA-N 1 0 250.346 0.928 10 0 CCAERO C[C@@H]1CN(Cc2nnnn2C(C)(C)C)C[C@H]1[NH+](C)C ZINC000408248053 288226833 /nfs/dbraw/zinc/22/68/33/288226833.db2.gz RSDHRXLQEDAVRR-GHMZBOCLSA-N 1 0 266.393 0.810 10 0 CCAERO CC(C)[C@H]1N(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@@]12CCCO2 ZINC000333826710 280457933 /nfs/dbraw/zinc/45/79/33/280457933.db2.gz LRQCGZAMAOFNPA-KDBYPZKRSA-N 1 0 279.384 0.803 10 0 CCAERO CC1(C)COCCN1CCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000181000967 281286157 /nfs/dbraw/zinc/28/61/57/281286157.db2.gz OTIIKEOEZSIXFN-HNNXBMFYSA-N 1 0 283.416 0.746 10 0 CCAERO Cc1nc2ccc(N3CC[NH2+]C[C@](C)(F)C3)nn2n1 ZINC000333879972 282063218 /nfs/dbraw/zinc/06/32/18/282063218.db2.gz DEWSICDRSWEETD-LBPRGKRZSA-N 1 0 264.308 0.571 10 0 CCAERO C[C@@H]1C[C@H](NC(=O)N2CCC3(CC[NH2+]C3)CC2)CO1 ZINC000335367618 288729479 /nfs/dbraw/zinc/72/94/79/288729479.db2.gz GQEUEMXFTMAAAF-NEPJUHHUSA-N 1 0 267.373 0.949 10 0 CCAERO Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261570194 293105033 /nfs/dbraw/zinc/10/50/33/293105033.db2.gz OEDFVJGHXYMDGY-KWQFWETISA-N 1 0 286.401 0.774 10 0 CCAERO [NH3+][C@@H]1CCCC[C@H]1CC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000062985581 295298838 /nfs/dbraw/zinc/29/88/38/295298838.db2.gz PPIASZKJHRQASX-SOUVJXGZSA-N 1 0 295.427 0.827 10 0 CCAERO [NH3+][C@@H]1CCC[C@H](NC(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)C1 ZINC000333716260 295312978 /nfs/dbraw/zinc/31/29/78/295312978.db2.gz TWJQPRWMJNTKJI-OBPIAQAESA-N 1 0 267.373 0.669 10 0 CCAERO O=C(C[NH2+][C@H]1CCCC[C@H]1n1cccn1)N1CCOCC1 ZINC000128244446 295522959 /nfs/dbraw/zinc/52/29/59/295522959.db2.gz CHNAILJFBYZKMG-UONOGXRCSA-N 1 0 292.383 0.815 10 0 CCAERO COc1cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)sn1 ZINC000399311304 545089348 /nfs/dbraw/zinc/08/93/48/545089348.db2.gz MCJNNZYXCDUSSV-IONNQARKSA-N 1 0 255.343 0.908 10 0 CCAERO O=S1(=O)CC[C@@H]([C@@]2(C[NH2+]C3CC3)CCOC2)C1 ZINC000054665289 527309922 /nfs/dbraw/zinc/30/99/22/527309922.db2.gz DTKPQZNGPDSMFE-ZYHUDNBSSA-N 1 0 259.371 0.580 10 0 CCAERO C[C@H]1C[C@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C[C@@H](C)C1 ZINC000333596449 300507185 /nfs/dbraw/zinc/50/71/85/300507185.db2.gz PABKIUZEXALGKV-QWQWKMKNSA-N 1 0 269.389 0.785 10 0 CCAERO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC[C@@H](O)C(F)(F)F ZINC000261558256 303452810 /nfs/dbraw/zinc/45/28/10/303452810.db2.gz DCQGNDXFCDOFCA-DJLDLDEBSA-N 1 0 268.279 0.933 10 0 CCAERO NC(=O)[C@]1(O)CCC[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000403729866 545091027 /nfs/dbraw/zinc/09/10/27/545091027.db2.gz KCZJRDLFXHWTKM-CZXHOFHRSA-N 1 0 252.358 0.735 10 0 CCAERO CN(C(=O)[C@H]1CC(=O)N(C2CC2)C1)[C@H]1CCC[NH2+]CC1 ZINC000583316888 329449574 /nfs/dbraw/zinc/44/95/74/329449574.db2.gz XXKKGBYNVVSQGI-RYUDHWBXSA-N 1 0 279.384 0.598 10 0 CCAERO C[C@@H]1C(=O)NCCCN1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000191452441 330142440 /nfs/dbraw/zinc/14/24/40/330142440.db2.gz CYLXDUJNHDVZGK-NEPJUHHUSA-N 1 0 282.388 0.248 10 0 CCAERO CN1CCO[C@@H]2CN(C(=O)Cc3ccoc3)C[C@H]21 ZINC000336351665 335105267 /nfs/dbraw/zinc/10/52/67/335105267.db2.gz YMBATINNFSHTCG-VXGBXAGGSA-N 1 0 250.298 0.364 10 0 CCAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC000174890160 335168733 /nfs/dbraw/zinc/16/87/33/335168733.db2.gz AUWMDLFOFROANK-NEPJUHHUSA-N 1 0 296.415 0.731 10 0 CCAERO Cc1nnsc1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000383726558 336116872 /nfs/dbraw/zinc/11/68/72/336116872.db2.gz WEIUCKOTAYCNOY-CIUDSAMLSA-N 1 0 252.343 0.656 10 0 CCAERO CC(C)[NH2+]CCCS(=O)(=O)N1CCO[C@@H](C)C1 ZINC000049632137 519720903 /nfs/dbraw/zinc/72/09/03/519720903.db2.gz CMLRANUGPSLXNP-NSHDSACASA-N 1 0 264.391 0.425 10 0 CCAERO CC(C)[C@H](CN(C)C)[NH2+]C[C@H](O)COCC1CC1 ZINC000049204378 519814575 /nfs/dbraw/zinc/81/45/75/519814575.db2.gz HTJDYLNJFLZKLS-KBPBESRZSA-N 1 0 258.406 0.950 10 0 CCAERO CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCCC[NH3+] ZINC000181092675 520523504 /nfs/dbraw/zinc/52/35/04/520523504.db2.gz QBBIWNWOSXNYDZ-NSHDSACASA-N 1 0 291.417 0.046 10 0 CCAERO COC[C@@H](C)NC(=O)Cn1nc(C)c(C[NH3+])c1C ZINC000049291664 522230280 /nfs/dbraw/zinc/23/02/80/522230280.db2.gz SCOCSBAKKMMHCA-MRVPVSSYSA-N 1 0 254.334 0.110 10 0 CCAERO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC000067592289 519700391 /nfs/dbraw/zinc/70/03/91/519700391.db2.gz PJZKPAICPCSQFM-LBPRGKRZSA-N 1 0 255.362 0.454 10 0 CCAERO CC(C)CN(CC(N)=O)C(=O)[C@H]1CC[C@H](C)[C@@H]([NH3+])C1 ZINC000055138549 519714443 /nfs/dbraw/zinc/71/44/43/519714443.db2.gz UNEKCCIUKBGIIX-SRVKXCTJSA-N 1 0 269.389 0.720 10 0 CCAERO CC(C)CNC(=[NH2+])Nc1cccc(S(N)(=O)=O)c1 ZINC000052069544 519733393 /nfs/dbraw/zinc/73/33/93/519733393.db2.gz OCDNYKNESYCKAW-UHFFFAOYSA-N 1 0 270.358 0.926 10 0 CCAERO CC[NH2+]CCC(=O)NC1CCN(C(=O)OCC)CC1 ZINC000061288147 519916370 /nfs/dbraw/zinc/91/63/70/519916370.db2.gz AXLSEXZIJALJNA-UHFFFAOYSA-N 1 0 271.361 0.723 10 0 CCAERO CC[NH2+]C[C@H](C)C(=O)NCCC(=O)N[C@@H](C)CC ZINC000061266219 519962325 /nfs/dbraw/zinc/96/23/25/519962325.db2.gz QMQFOXYFUOMRDU-QWRGUYRKSA-N 1 0 257.378 0.653 10 0 CCAERO CC[NH2+]C[C@H](C)C(=O)Nc1ccccc1S(N)(=O)=O ZINC000061266398 519969590 /nfs/dbraw/zinc/96/95/90/519969590.db2.gz JWQWGMNEHYOXIX-VIFPVBQESA-N 1 0 285.369 0.518 10 0 CCAERO CCC[NH2+][C@@H](CCN(C)C1CC[NH+](C)CC1)C(=O)[O-] ZINC000062443224 519992493 /nfs/dbraw/zinc/99/24/93/519992493.db2.gz TUTDVPKNDLNXEZ-ZDUSSCGKSA-N 1 0 271.405 0.855 10 0 CCAERO CC[NH2+][C@@H](C)CC(=O)N(CCOC)[C@H](C)COC ZINC000061274275 520061790 /nfs/dbraw/zinc/06/17/90/520061790.db2.gz PGBNGKJKIAORTH-NWDGAFQWSA-N 1 0 260.378 0.884 10 0 CCAERO CCN[C@@H](CCN1CCC[C@@H]1C[NH+](C)C)C(=O)OC ZINC000062532638 520088384 /nfs/dbraw/zinc/08/83/84/520088384.db2.gz TUFBPENLWIVONB-OLZOCXBDSA-N 1 0 271.405 0.554 10 0 CCAERO CC(C)n1nccc1NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000049640726 520129048 /nfs/dbraw/zinc/12/90/48/520129048.db2.gz AWZZJOJAEQBKAM-SNVBAGLBSA-N 1 0 272.374 0.958 10 0 CCAERO CCN(CC(=O)NC(C)C)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000055088908 520325344 /nfs/dbraw/zinc/32/53/44/520325344.db2.gz VWGOJGNCVVTXIB-RYUDHWBXSA-N 1 0 269.389 0.877 10 0 CCAERO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cccnc1N ZINC000050673293 520720206 /nfs/dbraw/zinc/72/02/06/520720206.db2.gz VKWQLLYQSKOFIS-SNVBAGLBSA-N 1 0 286.401 0.672 10 0 CCAERO CCC[C@@H]1NC(=O)N(CC[C@H](C[NH3+])OCC)C1=O ZINC000062741370 520893830 /nfs/dbraw/zinc/89/38/30/520893830.db2.gz TWTQBURWFSMOCI-ZJUUUORDSA-N 1 0 257.334 0.461 10 0 CCAERO CC[N@H+](CC[C@@H](NC(C)C)C(N)=O)C[C@@H]1CCCO1 ZINC000062458776 521154865 /nfs/dbraw/zinc/15/48/65/521154865.db2.gz ANYXLPASRDULRA-QWHCGFSZSA-N 1 0 271.405 0.729 10 0 CCAERO CCCN(CC(=O)N(C)C)C(=O)C[C@H](C)[NH2+]CC ZINC000061273018 521525901 /nfs/dbraw/zinc/52/59/01/521525901.db2.gz OVOQPORXDALPSN-NSHDSACASA-N 1 0 257.378 0.701 10 0 CCAERO CCCN(CCC[NH3+])CC(=O)NCC(F)(F)F ZINC000049309662 521652867 /nfs/dbraw/zinc/65/28/67/521652867.db2.gz 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C[C@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)N(C)CC(=O)N(C)C ZINC000055126821 524201974 /nfs/dbraw/zinc/20/19/74/524201974.db2.gz PSWHNMOJHXYFNQ-JBLDHEPKSA-N 1 0 255.362 0.297 10 0 CCAERO C[C@@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)NCCN1CCOCC1 ZINC000055123620 524685033 /nfs/dbraw/zinc/68/50/33/524685033.db2.gz NUIFJASNPXDIDK-AGIUHOORSA-N 1 0 269.389 0.198 10 0 CCAERO C[C@H](Cc1ccsc1)NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000049185187 524758592 /nfs/dbraw/zinc/75/85/92/524758592.db2.gz BBKAWBTXAUZHRB-MIMYLULJSA-N 1 0 254.355 0.518 10 0 CCAERO C[C@H](Cc1ccsc1)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC000049182146 524761261 /nfs/dbraw/zinc/76/12/61/524761261.db2.gz KIPMNQMOPBXSHZ-SFYZADRCSA-N 1 0 255.343 0.852 10 0 CCAERO C[C@H]1C[C@@H]([NH3+])CC[C@@H]1C(=O)NCCC(=O)N(C)C ZINC000055136065 524792115 /nfs/dbraw/zinc/79/21/15/524792115.db2.gz WUABZZDNKIEMMI-DCAQKATOSA-N 1 0 255.362 0.344 10 0 CCAERO C[C@H]([NH3+])[C@@H](c1cccs1)N1CCNC(=O)CC1 ZINC000062099735 524837768 /nfs/dbraw/zinc/83/77/68/524837768.db2.gz 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527502655 /nfs/dbraw/zinc/50/26/55/527502655.db2.gz JVHPXAPJXUHWQH-CYBMUJFWSA-N 1 0 251.374 0.872 10 0 CCAERO FC(F)(F)COCCC[NH2+]C[C@@H]1COCCO1 ZINC000049312387 527669884 /nfs/dbraw/zinc/66/98/84/527669884.db2.gz ANZYXRKLPOXHMI-SECBINFHSA-N 1 0 257.252 0.960 10 0 CCAERO O=C1COc2ccc(C[NH2+]C3CC(CO)C3)cc2N1 ZINC000668780390 545190590 /nfs/dbraw/zinc/19/05/90/545190590.db2.gz ZHPQYGLQAGOKRY-UHFFFAOYSA-N 1 0 262.309 0.878 10 0 CCAERO OCc1ccc(C[N@@H+]2CC[C@@](O)(Cn3ccnn3)C2)cc1 ZINC000671553430 545253848 /nfs/dbraw/zinc/25/38/48/545253848.db2.gz RPLVUVYIFZESQS-HNNXBMFYSA-N 1 0 288.351 0.407 10 0 CCAERO CC(C)Oc1cccc(CC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262213979 535033222 /nfs/dbraw/zinc/03/32/22/535033222.db2.gz IYSLFJVNFXLLGD-HIFRSBDPSA-N 1 0 292.379 0.713 10 0 CCAERO CCCCS(=O)(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC000675054618 545320355 /nfs/dbraw/zinc/32/03/55/545320355.db2.gz IHNPQAKMBCSIBB-UHFFFAOYSA-N 1 0 276.402 0.569 10 0 CCAERO CC(C)(C)OC(=O)NO[C@@H](CO)C1CC[NH2+]CC1 ZINC000675080124 545321288 /nfs/dbraw/zinc/32/12/88/545321288.db2.gz NATOELSAEDWUHG-JTQLQIEISA-N 1 0 260.334 0.803 10 0 CCAERO Cn1ncc(Br)c1C1=C[C@H]([NH3+])CNC1 ZINC000675078187 545321324 /nfs/dbraw/zinc/32/13/24/545321324.db2.gz NDHNFARUBAFHFG-ZETCQYMHSA-N 1 0 257.135 0.497 10 0 CCAERO CCO[C@H](C)c1ncc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)s1 ZINC000262278678 535569166 /nfs/dbraw/zinc/56/91/66/535569166.db2.gz NQDIGRGGWBOEKH-UTLUCORTSA-N 1 0 299.396 0.551 10 0 CCAERO CCN(CCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)c1ccccc1C ZINC000262332364 535733762 /nfs/dbraw/zinc/73/37/62/535733762.db2.gz FDEMRBXQQAITHM-KGLIPLIRSA-N 1 0 291.395 0.660 10 0 CCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccn(CC(=O)OC)n1 ZINC000262634010 535849975 /nfs/dbraw/zinc/84/99/75/535849975.db2.gz VOXYSXGFYVYPOD-GZMMTYOYSA-N 1 0 268.317 0.368 10 0 CCAERO CC[C@]1(C(=O)N2CCC[C@@H](NC(C)=O)C2)CC[NH2+]C1 ZINC000062895705 535879474 /nfs/dbraw/zinc/87/94/74/535879474.db2.gz FWGWFUFLHAFAJV-OCCSQVGLSA-N 1 0 267.373 0.503 10 0 CCAERO C[NH+](C)C[C@@H](NC(=O)C(=O)NCC1CC1)c1ccccc1 ZINC000191679872 535939150 /nfs/dbraw/zinc/93/91/50/535939150.db2.gz JWMAWMGMNPGKSD-CQSZACIVSA-N 1 0 289.379 0.932 10 0 CCAERO COc1ccc(Cl)cc1CC(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262376862 536551287 /nfs/dbraw/zinc/55/12/87/536551287.db2.gz WQZJCHUHZPNGTD-ZYHUDNBSSA-N 1 0 298.770 0.588 10 0 CCAERO COc1cc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)ccc1C ZINC000262376865 536894619 /nfs/dbraw/zinc/89/46/19/536894619.db2.gz WRBZMAJMZYYEBN-NEPJUHHUSA-N 1 0 264.325 0.314 10 0 CCAERO C[NH2+][C@@](C)(CCn1cc(Br)cn1)C(N)=O ZINC000045437522 570273286 /nfs/dbraw/zinc/27/32/86/570273286.db2.gz JAZZQFMLYNPHIN-VIFPVBQESA-N 1 0 275.150 0.499 10 0 CCAERO C[C@@H]([NH2+]C1CCN(CCO)CC1)[C@@H]1CCCOC1 ZINC000399212874 581208274 /nfs/dbraw/zinc/20/82/74/581208274.db2.gz YMMGBNBUFMRBMF-CHWSQXEVSA-N 1 0 256.390 0.848 10 0 CCAERO [NH3+][C@@H](CS(=O)(=O)N1C2CCC1CC2)[C@H]1CCCOC1 ZINC000757149440 581696411 /nfs/dbraw/zinc/69/64/11/581696411.db2.gz CHYVIYIIVRZBLO-WTIISPKJSA-N 1 0 288.413 0.697 10 0 CCAERO CC[NH+]1CCC2(CCO[C@H]2CS(N)(=O)=O)CC1 ZINC000757206336 581698294 /nfs/dbraw/zinc/69/82/94/581698294.db2.gz AFZJUPDRYJPBKJ-JTQLQIEISA-N 1 0 262.375 0.166 10 0 CCAERO CNC(=O)[C@@H]1CCCN1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000156146390 581876215 /nfs/dbraw/zinc/87/62/15/581876215.db2.gz WYLQXKWUKVOBJK-OLZOCXBDSA-N 1 0 298.431 0.883 10 0 CCAERO C[C@H]1CC[C@@]2(CCCN2CCS(C)(=O)=O)C[NH2+]1 ZINC000757133922 581940425 /nfs/dbraw/zinc/94/04/25/581940425.db2.gz VPMPMCXAIZVFNL-RYUDHWBXSA-N 1 0 260.403 0.638 10 0 CCAERO C/C=C\[C@@H](O)C(=O)N1C[C@@H](OC)C[C@H]1C[NH+]1CCCC1 ZINC000908116580 613206931 /nfs/dbraw/zinc/20/69/31/613206931.db2.gz VBFGBDURLCQFRG-VMKDJIABSA-N 1 0 282.384 0.635 10 0 CCAERO CC(C)N1C(=O)CN(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)C1=O ZINC000153220093 614312858 /nfs/dbraw/zinc/31/28/58/614312858.db2.gz ULPFBTLNTLIWSU-CHWSQXEVSA-N 1 0 294.399 0.785 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)Cn1nc(CO)n(C)c1=S ZINC000120559727 615144650 /nfs/dbraw/zinc/14/46/50/615144650.db2.gz DHMJJDHJXNVIDI-NSHDSACASA-N 1 0 299.444 0.817 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1cnn(C)n1 ZINC000826683781 615565798 /nfs/dbraw/zinc/56/57/98/615565798.db2.gz CBPSALYKEMPKFU-ZIAGYGMSSA-N 1 0 291.399 0.833 10 0 CCAERO CC[C@H](O)C[NH+]1CCN(c2nc(C)cc(N)n2)CC1 ZINC000892582488 615828601 /nfs/dbraw/zinc/82/86/01/615828601.db2.gz IYUFXVLBYAIZSN-NSHDSACASA-N 1 0 265.361 0.260 10 0 CCAERO COC(=O)/C=C(/C)CN1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000929545104 616308444 /nfs/dbraw/zinc/30/84/44/616308444.db2.gz FOBXFMKBPYUNSV-MENMGGHXSA-N 1 0 270.373 0.493 10 0 CCAERO COCCN1CCN(C(=O)CCCCC[NH3+])C[C@@H]1C ZINC000155678682 616358983 /nfs/dbraw/zinc/35/89/83/616358983.db2.gz KPDIZOTYEDMOBQ-ZDUSSCGKSA-N 1 0 271.405 0.685 10 0 CCAERO COC(=O)N[C@@H](C(=O)NC[C@H]1CCC[NH2+]C1)C(C)C ZINC000129777366 616902779 /nfs/dbraw/zinc/90/27/79/616902779.db2.gz ABCMSYVLLMMMCZ-WDEREUQCSA-N 1 0 271.361 0.483 10 0 CCAERO COC(=O)N[C@H](CC(C)C)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000109850061 616917726 /nfs/dbraw/zinc/91/77/26/616917726.db2.gz LCAIFTPNWPXYRR-VXGBXAGGSA-N 1 0 285.388 0.825 10 0 CCAERO CC(C)COC(=O)CN1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000181451020 625373579 /nfs/dbraw/zinc/37/35/79/625373579.db2.gz VZLGYCZMOZHDDH-QWHCGFSZSA-N 1 0 272.389 0.573 10 0 CCAERO C[NH2+][C@](C)(CCCn1cc(Br)cn1)C(N)=O ZINC000045437160 622704528 /nfs/dbraw/zinc/70/45/28/622704528.db2.gz OMNLBFQHQDKVPQ-SNVBAGLBSA-N 1 0 289.177 0.889 10 0 CCAERO C[C@H]1CN(Cc2ccc(OCC(N)=O)cc2)C[C@@H]1[NH3+] ZINC000235661068 623386701 /nfs/dbraw/zinc/38/67/01/623386701.db2.gz VHVZZXJQLKHQNQ-GWCFXTLKSA-N 1 0 263.341 0.330 10 0 CCAERO CO[C@H]1C[C@@H](CO)N(C(=O)CC[NH2+]C(C)(C)C)C1 ZINC000311017143 623621898 /nfs/dbraw/zinc/62/18/98/623621898.db2.gz QHESJGCXSNXVGQ-QWRGUYRKSA-N 1 0 258.362 0.373 10 0 CCAERO C[C@@H]([NH2+]Cc1cccc(S(N)(=O)=O)c1)[C@@H]1CCCO1 ZINC000311816576 623802163 /nfs/dbraw/zinc/80/21/63/623802163.db2.gz BWGRKPOLMFCDHT-MFKMUULPSA-N 1 0 284.381 0.991 10 0 CCAERO NC(=O)C[C@]1([NH3+])CCN(C(=O)OCc2ccccc2)C1 ZINC000145924037 624692049 /nfs/dbraw/zinc/69/20/49/624692049.db2.gz MZPZHKDKSTXVKI-CQSZACIVSA-N 1 0 277.324 0.602 10 0 CCAERO CC(C)N1C(=S)N=NC1CCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000156728939 624821135 /nfs/dbraw/zinc/82/11/35/624821135.db2.gz DHNHRIUSNNJGHC-UWVGGRQHSA-N 1 0 297.428 0.934 10 0 CCAERO C[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CCCO1 ZINC000333831979 625724810 /nfs/dbraw/zinc/72/48/10/625724810.db2.gz SWWJKNSDOJJVOJ-WHOHXGKFSA-N 1 0 253.346 0.557 10 0 CCAERO COC(=O)N[C@H](CC(C)C)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000178541143 631317011 /nfs/dbraw/zinc/31/70/11/631317011.db2.gz AVTNJCZNJFLDHJ-GHMZBOCLSA-N 1 0 271.361 0.564 10 0 CCAERO CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000159516355 631520023 /nfs/dbraw/zinc/52/00/23/631520023.db2.gz HFRSCDVZHMQPME-AGIUHOORSA-N 1 0 296.415 0.779 10 0 CCAERO CNC(=O)[C@H]([NH2+]CCNC(=O)OC(C)(C)C)C(C)C ZINC000178951084 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292.257 0.175 10 0 CCAERO O=C1CCCN1C[C@H](O)C[NH+]1CCC(C2OCCO2)CC1 ZINC000111688904 644156598 /nfs/dbraw/zinc/15/65/98/644156598.db2.gz MJDDXRZWQDHDRE-CYBMUJFWSA-N 1 0 298.383 0.055 10 0 CCAERO [NH3+]C1(C(=O)Nc2ccc(-n3nccn3)cc2)CCOCC1 ZINC000132081128 647537453 /nfs/dbraw/zinc/53/74/53/647537453.db2.gz CFQLFWOMDGVZHM-UHFFFAOYSA-N 1 0 287.323 0.714 10 0 CCAERO Cn1ccc(C[N@@H+]2CCC[C@](O)(Cc3nncn3C)C2)c1 ZINC000886088935 647898606 /nfs/dbraw/zinc/89/86/06/647898606.db2.gz RKTYVZFASLQFFD-HNNXBMFYSA-N 1 0 289.383 0.723 10 0 CCAERO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)CCO1 ZINC000220407524 648000224 /nfs/dbraw/zinc/00/02/24/648000224.db2.gz SDJBYQFQKMGIFX-FMKPAKJESA-N 1 0 296.411 0.861 10 0 CCAERO CCN(CC(=O)NC)C(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089388191 649654812 /nfs/dbraw/zinc/65/48/12/649654812.db2.gz VQHMNFVKWCKCNL-MNOVXSKESA-N 1 0 255.362 0.346 10 0 CCAERO O[C@@H]1C[C@@H]2CC[N@@H+]3Cc4cc5c(cc4[C@@H]([C@@H]23)[C@H]1O)OCO5 ZINC000247754170 649719211 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263.341 0.931 10 0 CCAERO CCCCN(CC(N)=O)C(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000094647809 349571502 /nfs/dbraw/zinc/57/15/02/349571502.db2.gz KZUBNQMOOMONPQ-MNOVXSKESA-N 1 0 255.362 0.489 10 0 CCAERO Cc1ccc([C@H](C)NC(=O)C(=O)NCC[NH3+])cc1F ZINC000094960635 349580689 /nfs/dbraw/zinc/58/06/89/349580689.db2.gz JOKBTVADIXSFIL-VIFPVBQESA-N 1 0 267.304 0.386 10 0 CCAERO Cc1cc(C)nc(S(=O)(=O)N2CCCC[C@H]2C[NH3+])n1 ZINC000095068856 349585014 /nfs/dbraw/zinc/58/50/14/349585014.db2.gz PNUQQLZLORMKEL-NSHDSACASA-N 1 0 284.385 0.595 10 0 CCAERO Cc1cc(Cl)nc(S(=O)(=O)C[C@H]2CCC[NH2+]2)n1 ZINC000095069378 349586228 /nfs/dbraw/zinc/58/62/28/349586228.db2.gz SNCPAOGJIICWIF-MRVPVSSYSA-N 1 0 275.761 0.964 10 0 CCAERO Cc1ccc(S(=O)(=O)N2CCC(O)(C[NH3+])CC2)cc1C ZINC000019680659 290645664 /nfs/dbraw/zinc/64/56/64/290645664.db2.gz KKXSSJZFTCDPMH-UHFFFAOYSA-N 1 0 298.408 0.778 10 0 CCAERO O=C(CC[N@@H+]1CCNC(=O)CC1)Nc1ccccc1 ZINC000103230933 349694225 /nfs/dbraw/zinc/69/42/25/349694225.db2.gz 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C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCn1ccnc1 ZINC000113575488 349816493 /nfs/dbraw/zinc/81/64/93/349816493.db2.gz RKDLDCQIANSQRC-CHWSQXEVSA-N 1 0 277.372 0.761 10 0 CCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)NC1CC1 ZINC000115345827 349852516 /nfs/dbraw/zinc/85/25/16/349852516.db2.gz PFJKGEXCIQORMZ-LLVKDONJSA-N 1 0 255.362 0.358 10 0 CCAERO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000115822503 349861102 /nfs/dbraw/zinc/86/11/02/349861102.db2.gz PQTYRRXQBPQURW-UONOGXRCSA-N 1 0 298.431 0.300 10 0 CCAERO CCNC(=O)CCCC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116787023 349872290 /nfs/dbraw/zinc/87/22/90/349872290.db2.gz NSTNGVKNTWDDFG-LBPRGKRZSA-N 1 0 285.388 0.082 10 0 CCAERO CN(C)c1ccc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cn1 ZINC000116785866 349872297 /nfs/dbraw/zinc/87/22/97/349872297.db2.gz RDDYGYYIBGKTPW-ZDUSSCGKSA-N 1 0 292.383 0.550 10 0 CCAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cccc3c2OCO3)CCO1 ZINC000116791450 349872982 /nfs/dbraw/zinc/87/29/82/349872982.db2.gz LCJRIMAGGNQTLT-LLVKDONJSA-N 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OWFOLSYZOUPZGY-DOMZBBRYSA-N 1 0 273.380 0.791 10 0 CCAERO CN1C[C@@H](C(=O)N[C@H](C[NH+](C)C)c2ccccc2)CC1=O ZINC000046170457 348352198 /nfs/dbraw/zinc/35/21/98/348352198.db2.gz AGIJWUWRQZFQRJ-UONOGXRCSA-N 1 0 289.379 0.884 10 0 CCAERO CCn1c(=O)c(N2CC[NH2+]CC2)nc2cccnc21 ZINC000045795996 348342894 /nfs/dbraw/zinc/34/28/94/348342894.db2.gz GIIRZSSNCFOYPZ-UHFFFAOYSA-N 1 0 259.313 0.221 10 0 CCAERO CCOC(=O)[C@H](O)[C@H]([NH3+])Cc1ccc(OC)cc1 ZINC000087493507 179435447 /nfs/dbraw/zinc/43/54/47/179435447.db2.gz BRRNUNUMVFQAFY-VXGBXAGGSA-N 1 0 253.298 0.489 10 0 CCAERO C[C@@H](Cn1cccn1)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054291441 348548026 /nfs/dbraw/zinc/54/80/26/348548026.db2.gz JCDLGYPSLPDWAD-NWDGAFQWSA-N 1 0 250.346 0.778 10 0 CCAERO COCCOCCCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054308727 348549641 /nfs/dbraw/zinc/54/96/41/348549641.db2.gz NKPASYWFAAVVBL-GFCCVEGCSA-N 1 0 258.362 0.545 10 0 CCAERO CN(Cc1nccn1C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054308185 348549718 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COC(=O)[C@@H]([C@@H]1CCCOC1)N1CCC[NH2+]CC1 ZINC000104324856 185969314 /nfs/dbraw/zinc/96/93/14/185969314.db2.gz FQAQGVWMMQONGD-VXGBXAGGSA-N 1 0 256.346 0.250 10 0 CCAERO Cc1nn(C)c(N2CCOC(C)(C)C2)c1C(N)=[NH2+] ZINC000104317964 185966442 /nfs/dbraw/zinc/96/64/42/185966442.db2.gz UUQYURKQABATJU-UHFFFAOYSA-N 1 0 251.334 0.628 10 0 CCAERO Cc1nn(C)c(C)c1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000082284671 349296146 /nfs/dbraw/zinc/29/61/46/349296146.db2.gz QWVFPWJMCCHTGL-NSHDSACASA-N 1 0 250.346 0.813 10 0 CCAERO Cc1nc2n(n1)CCC[C@H]2NC(=O)C[N@@H+](C)C(C)C ZINC000081821224 349285583 /nfs/dbraw/zinc/28/55/83/349285583.db2.gz DKFVSPBCFSIHAE-LLVKDONJSA-N 1 0 265.361 0.878 10 0 CCAERO Cn1nnnc1-c1cccc(NC(=O)[C@H]2CCC[C@H]2[NH3+])c1 ZINC000085361285 349332207 /nfs/dbraw/zinc/33/22/07/349332207.db2.gz MTMYOCQTLKMUAG-NWDGAFQWSA-N 1 0 286.339 0.943 10 0 CCAERO COC(=O)[C@H](C)CN(C)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089457729 349388244 /nfs/dbraw/zinc/38/82/44/349388244.db2.gz CFGOACSKUKZVNB-MXWKQRLJSA-N 1 0 256.346 0.629 10 0 CCAERO CC[C@@H]1CN(Cc2cc[nH]n2)CC[N@@H+]1CCOC ZINC000120975717 350016448 /nfs/dbraw/zinc/01/64/48/350016448.db2.gz VLRBRHBPIMWDFD-CYBMUJFWSA-N 1 0 252.362 0.952 10 0 CCAERO CN1CCN(c2ncc(Cl)cc2F)[C@H](C[NH3+])C1 ZINC000122795817 350069132 /nfs/dbraw/zinc/06/91/32/350069132.db2.gz HOWFTXBIYXPXRP-SECBINFHSA-N 1 0 258.728 0.953 10 0 CCAERO Cc1nc(-c2cccc(NC(=O)CNC(=O)C[NH3+])c2)no1 ZINC000124629477 350103729 /nfs/dbraw/zinc/10/37/29/350103729.db2.gz MIGCUZXVRBSVCA-UHFFFAOYSA-N 1 0 289.295 0.058 10 0 CCAERO C[C@H]([NH3+])CNc1ncc(I)cn1 ZINC000126256735 350141353 /nfs/dbraw/zinc/14/13/53/350141353.db2.gz MNSSWVKTGANHGP-YFKPBYRVSA-N 1 0 278.097 0.840 10 0 CCAERO CN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000104797983 186023299 /nfs/dbraw/zinc/02/32/99/186023299.db2.gz GWTQBUCSUGRVRQ-CQSZACIVSA-N 1 0 298.431 0.300 10 0 CCAERO CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128544136 350194627 /nfs/dbraw/zinc/19/46/27/350194627.db2.gz ORNFCCPNFRVUIB-DOMZBBRYSA-N 1 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RLCUKZNSJDKUTI-GXFFZTMASA-N 1 0 294.399 0.919 10 0 CCAERO Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000131841296 350289649 /nfs/dbraw/zinc/28/96/49/350289649.db2.gz RLCUKZNSJDKUTI-GWCFXTLKSA-N 1 0 294.399 0.919 10 0 CCAERO C[NH+](C)CCNC(=O)NC1CCN(c2ncccn2)CC1 ZINC000133397663 350334687 /nfs/dbraw/zinc/33/46/87/350334687.db2.gz RILBRXBXUJITRY-UHFFFAOYSA-N 1 0 292.387 0.306 10 0 CCAERO CN1CCO[C@H](C[N@@H+]2CCCC3(C2)OCCO3)C1 ZINC000134076358 350353502 /nfs/dbraw/zinc/35/35/02/350353502.db2.gz SEQONZINRNMRAE-LBPRGKRZSA-N 1 0 256.346 0.156 10 0 CCAERO CCOC(=O)c1cnc(NC[C@@H]2C[NH2+]CCO2)nc1C ZINC000134319396 350360878 /nfs/dbraw/zinc/36/08/78/350360878.db2.gz DWLRNSZQXONYRG-JTQLQIEISA-N 1 0 280.328 0.362 10 0 CCAERO CC[C@@H]([NH2+]C[C@@H]1CCCN1c1cc(NC)ncn1)C(N)=O ZINC000105797897 186071669 /nfs/dbraw/zinc/07/16/69/186071669.db2.gz JZUOQYVVKCYZRJ-WDEREUQCSA-N 1 0 292.387 0.341 10 0 CCAERO CCNC(=O)CC[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000135510955 350399160 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ZINC000105925707 186091505 /nfs/dbraw/zinc/09/15/05/186091505.db2.gz YMONRRDSKUJRNE-LLVKDONJSA-N 1 0 266.345 0.709 10 0 CCAERO CCC(C)(C)NC(=O)[C@H](C)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105925900 186092768 /nfs/dbraw/zinc/09/27/68/186092768.db2.gz VYBJBRHFUZSRSP-QWHCGFSZSA-N 1 0 285.432 0.942 10 0 CCAERO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)NCc1ccccc1 ZINC000105933284 186092937 /nfs/dbraw/zinc/09/29/37/186092937.db2.gz OFKJXOFBXXKMML-ZFWWWQNUSA-N 1 0 291.395 0.612 10 0 CCAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)Nc1ccccc1 ZINC000105932694 186092987 /nfs/dbraw/zinc/09/29/87/186092987.db2.gz MIYVZQLVOCKRAD-OCCSQVGLSA-N 1 0 277.368 0.934 10 0 CCAERO COC(=O)CSCCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000107591019 186180700 /nfs/dbraw/zinc/18/07/00/186180700.db2.gz BQDNPAWOCFKNQY-SNVBAGLBSA-N 1 0 274.386 0.445 10 0 CCAERO COC(=O)CCNC(=O)C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000152777315 350540325 /nfs/dbraw/zinc/54/03/25/350540325.db2.gz VCYAEPDVERBRMX-NEPJUHHUSA-N 1 0 284.356 0.167 10 0 CCAERO C[NH+](C)C1(CNC(=O)[C@@H]2CNC(=O)C2)CCCCC1 ZINC000110344294 186292150 /nfs/dbraw/zinc/29/21/50/186292150.db2.gz RYMNFJMIVZDWFT-NSHDSACASA-N 1 0 267.373 0.503 10 0 CCAERO COC(=O)CCCCCCCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000163124846 350760558 /nfs/dbraw/zinc/76/05/58/350760558.db2.gz PRHFQDVARCWZOF-VXGBXAGGSA-N 1 0 286.372 0.339 10 0 CCAERO C[NH+](C)C[C@@H](NC(=O)CCNC(N)=O)c1ccccc1 ZINC000111139893 186357899 /nfs/dbraw/zinc/35/78/99/186357899.db2.gz KEGCFLICQBCHOQ-GFCCVEGCSA-N 1 0 278.356 0.464 10 0 CCAERO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CNC(=O)C2)C1 ZINC000163495817 350767217 /nfs/dbraw/zinc/76/72/17/350767217.db2.gz JXWWJNPXNWOFTP-CHWSQXEVSA-N 1 0 281.400 0.607 10 0 CCAERO Cc1nnc(NCCCN2CC[NH2+]CC2)nc1C ZINC000165353646 350790097 /nfs/dbraw/zinc/79/00/97/350790097.db2.gz LXINPFPSMIVZII-UHFFFAOYSA-N 1 0 250.350 0.196 10 0 CCAERO O=C(Nc1cccc2c1C[NH2+]CC2)[C@H]1CNC(=O)C1 ZINC000167375235 350809505 /nfs/dbraw/zinc/80/95/05/350809505.db2.gz BPOWCVOTJKZIPT-SNVBAGLBSA-N 1 0 259.309 0.407 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C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC2)CCO1 ZINC000246580394 352374555 /nfs/dbraw/zinc/37/45/55/352374555.db2.gz WBSOWHVMPRGQGL-FRRDWIJNSA-N 1 0 252.358 0.822 10 0 CCAERO CC(C)COCCc1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263309540 535177899 /nfs/dbraw/zinc/17/78/99/535177899.db2.gz YINVQCHAVDVKGG-LLVKDONJSA-N 1 0 268.361 0.861 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCCN1CCOCC1 ZINC000246786188 352382919 /nfs/dbraw/zinc/38/29/19/352382919.db2.gz ACMXBNYVSNPNME-CABCVRRESA-N 1 0 267.417 0.877 10 0 CCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cnn(C)c2)C1 ZINC000246989335 352392045 /nfs/dbraw/zinc/39/20/45/352392045.db2.gz GNCDDGSGOHEDMF-CMPLNLGQSA-N 1 0 250.346 0.879 10 0 CCAERO CC[C@H](C(=O)OC)N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000247013963 352393296 /nfs/dbraw/zinc/39/32/96/352393296.db2.gz CGPYSBAANGPZJK-QWHCGFSZSA-N 1 0 272.389 0.981 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCN1CCOCC1 ZINC000247066933 352396451 /nfs/dbraw/zinc/39/64/51/352396451.db2.gz HLGXANJUUOFAFY-KBPBESRZSA-N 1 0 296.415 0.197 10 0 CCAERO CCOCC[N@@H+]1CCN(CCCNC(C)=O)C[C@H]1C ZINC000247101725 352399093 /nfs/dbraw/zinc/39/90/93/352399093.db2.gz IFRIYTLUXSQMOI-CYBMUJFWSA-N 1 0 271.405 0.555 10 0 CCAERO NC(=O)[C@@H](c1ccccc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246265923 352358071 /nfs/dbraw/zinc/35/80/71/352358071.db2.gz GTFYOYQSAURSPY-UONOGXRCSA-N 1 0 259.353 0.993 10 0 CCAERO Cc1cc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)no1 ZINC000247362703 352410888 /nfs/dbraw/zinc/41/08/88/352410888.db2.gz OQFJRFIEOCYSNJ-KOLCDFICSA-N 1 0 294.355 0.766 10 0 CCAERO CC(C)NC(=O)CCNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000247483013 352417263 /nfs/dbraw/zinc/41/72/63/352417263.db2.gz WHSVTYURUWCVLP-QWHCGFSZSA-N 1 0 298.431 0.929 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCS(C)(=O)=O ZINC000247522133 352419520 /nfs/dbraw/zinc/41/95/20/352419520.db2.gz WWBPVQIHBYLCMZ-RYUDHWBXSA-N 1 0 288.413 0.506 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CCCOC2)C1 ZINC000247806882 352426305 /nfs/dbraw/zinc/42/63/05/352426305.db2.gz SXLPWVGGIVWSHS-NEPJUHHUSA-N 1 0 255.362 0.949 10 0 CCAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CNC(=O)C3)CC[C@H]21 ZINC000247938450 352427350 /nfs/dbraw/zinc/42/73/50/352427350.db2.gz CSJQICANBGGTNC-IJLUTSLNSA-N 1 0 265.357 0.065 10 0 CCAERO C[C@@H](c1cnccn1)S(=O)(=O)N(C)[C@H]1CCC[NH2+]C1 ZINC000248098817 352431176 /nfs/dbraw/zinc/43/11/76/352431176.db2.gz ZNOSINPCAFLLJY-QWRGUYRKSA-N 1 0 284.385 0.551 10 0 CCAERO Cc1nccn1C[C@@H]1CCC[N@H+]1[C@H]1CCN(C)C1=O ZINC000247140638 352401218 /nfs/dbraw/zinc/40/12/18/352401218.db2.gz SWCCYMIIMUBNBU-STQMWFEESA-N 1 0 262.357 0.887 10 0 CCAERO CCCCCNC(=O)CN1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000247230052 352404997 /nfs/dbraw/zinc/40/49/97/352404997.db2.gz RGQJWYRVBMPNLO-KBPBESRZSA-N 1 0 285.432 0.680 10 0 CCAERO COCc1nc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)no1 ZINC000248525505 352444638 /nfs/dbraw/zinc/44/46/38/352444638.db2.gz CQDQLEMSSOWAKH-QWRGUYRKSA-N 1 0 266.345 0.885 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccnn1C ZINC000249139106 352480288 /nfs/dbraw/zinc/48/02/88/352480288.db2.gz FHMUXSJTIYTCOF-MNOVXSKESA-N 1 0 291.355 0.054 10 0 CCAERO C[NH+](C)C[C@@H]1CN(C[C@@H](O)CC(F)(F)F)CCO1 ZINC000249260524 352483224 /nfs/dbraw/zinc/48/32/24/352483224.db2.gz HUWRABUMYNMBNL-VHSXEESVSA-N 1 0 270.295 0.562 10 0 CCAERO C[C@@H]1CN(CCN2CC[N@@H+]3CCCC[C@H]3C2)CCO1 ZINC000249303273 352485925 /nfs/dbraw/zinc/48/59/25/352485925.db2.gz SPPFVBGOPXZSPD-CABCVRRESA-N 1 0 267.417 0.877 10 0 CCAERO CN1C(=O)c2cccn2C[C@@H]1C(=O)NCC[NH+]1CCCC1 ZINC000257175875 352547863 /nfs/dbraw/zinc/54/78/63/352547863.db2.gz BUSUTYRGAXVPGY-CYBMUJFWSA-N 1 0 290.367 0.154 10 0 CCAERO CN1C(=O)c2cccn2C[C@H]1C(=O)NCC[NH+]1CCCC1 ZINC000257175990 352547959 /nfs/dbraw/zinc/54/79/59/352547959.db2.gz BUSUTYRGAXVPGY-ZDUSSCGKSA-N 1 0 290.367 0.154 10 0 CCAERO C[C@H]1C[N@@H+](C2CCN(C(=O)[C@H]3COCCO3)CC2)CCO1 ZINC000249771084 352501220 /nfs/dbraw/zinc/50/12/20/352501220.db2.gz SPCFOUSMDXZLQX-GXTWGEPZSA-N 1 0 298.383 0.114 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ncccc1N ZINC000252834665 352525486 /nfs/dbraw/zinc/52/54/86/352525486.db2.gz RUMPYZKAHZOWQE-QWRGUYRKSA-N 1 0 260.341 0.973 10 0 CCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCN(C)C(=O)[C@H]2C)C1 ZINC000253146607 352529074 /nfs/dbraw/zinc/52/90/74/352529074.db2.gz YMYVGLQDPQSUDR-UPJWGTAASA-N 1 0 296.415 0.587 10 0 CCAERO CCNC(=O)c1ccc(Cl)cc1NC(=O)C[NH3+] ZINC000153415934 188081577 /nfs/dbraw/zinc/08/15/77/188081577.db2.gz GTWOVZJRWPNPSR-UHFFFAOYSA-N 1 0 255.705 0.987 10 0 CCAERO CC[C@@]1(C(=O)N2CCC(n3cncn3)CC2)CCC[NH2+]1 ZINC000134453474 137661610 /nfs/dbraw/zinc/66/16/10/137661610.db2.gz YYPMIWDRBZYJIC-AWEZNQCLSA-N 1 0 277.372 0.974 10 0 CCAERO C[NH+](C)C[C@H]1CN(Cc2cn3cccnc3n2)CCO1 ZINC000157818194 188340400 /nfs/dbraw/zinc/34/04/00/188340400.db2.gz BZUKSGDZUQNGJN-ZDUSSCGKSA-N 1 0 275.356 0.492 10 0 CCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc(C(N)=O)cs1 ZINC000282514196 353431620 /nfs/dbraw/zinc/43/16/20/353431620.db2.gz XRSVXMTUKPDTLG-XVKPBYJWSA-N 1 0 267.354 0.604 10 0 CCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cnns2)C1 ZINC000158851721 188397457 /nfs/dbraw/zinc/39/74/57/188397457.db2.gz MEVQRLRXZPTMBJ-BDAKNGLRSA-N 1 0 254.359 0.997 10 0 CCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2cnn(C)c2)C1 ZINC000158776045 188394061 /nfs/dbraw/zinc/39/40/61/188394061.db2.gz QFALAOJCRZPQGT-PWSUYJOCSA-N 1 0 293.371 0.204 10 0 CCAERO CC(C)C1([NH2+]Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000292931707 198466641 /nfs/dbraw/zinc/46/66/41/198466641.db2.gz HAUHSSISJIETQR-UHFFFAOYSA-N 1 0 251.330 0.362 10 0 CCAERO CC(C)c1nccn1CCC(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000299745113 354043612 /nfs/dbraw/zinc/04/36/12/354043612.db2.gz WGHVTQNTGHPYPH-OLZOCXBDSA-N 1 0 292.383 0.596 10 0 CCAERO CN1CCN(c2cncc(Br)c2)[C@H](C[NH3+])C1 ZINC000300732367 354067788 /nfs/dbraw/zinc/06/77/88/354067788.db2.gz FBCPNHKIQHADBB-LLVKDONJSA-N 1 0 285.189 0.923 10 0 CCAERO C[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000161894825 188549839 /nfs/dbraw/zinc/54/98/39/188549839.db2.gz RSOYBGRPDYAJAP-HTQZYQBOSA-N 1 0 288.344 0.754 10 0 CCAERO CC(=O)Nc1nc(CN2C[C@H](C)[C@H]([NH3+])C2)cs1 ZINC000300049471 354058210 /nfs/dbraw/zinc/05/82/10/354058210.db2.gz SASPGKMOJPBOFP-OIBJUYFYSA-N 1 0 254.359 0.881 10 0 CCAERO Cn1ncc(Br)c1[C@H](O)[C@@H]1C=CC[NH2+]1 ZINC000306563004 354176061 /nfs/dbraw/zinc/17/60/61/354176061.db2.gz PBXUEQMYOPRRAP-IONNQARKSA-N 1 0 258.119 0.744 10 0 CCAERO NC(=[NH2+])N[C@@H](CO)c1ccc(Br)cc1 ZINC000307022191 354178180 /nfs/dbraw/zinc/17/81/80/354178180.db2.gz XFXBJVKVPURDPX-QMMMGPOBSA-N 1 0 258.119 0.966 10 0 CCAERO C[C@@H]1C[C@H](NC(=S)NN)C[N@@H+]1Cc1ccccc1 ZINC000306873809 354177544 /nfs/dbraw/zinc/17/75/44/354177544.db2.gz YJIZKLBMNGIWGG-PWSUYJOCSA-N 1 0 264.398 0.987 10 0 CCAERO c1ncn(C[C@@H]2C[N@H+](C[C@H]3CCOC3)CCO2)n1 ZINC000328674091 202006635 /nfs/dbraw/zinc/00/66/35/202006635.db2.gz PSTWEOPYOXJWFI-NEPJUHHUSA-N 1 0 252.318 0.015 10 0 CCAERO C[C@H](c1cnn(C)c1)[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000305809052 354163434 /nfs/dbraw/zinc/16/34/34/354163434.db2.gz IFFBWZLXQFPTDQ-OCCSQVGLSA-N 1 0 282.388 0.106 10 0 CCAERO C[N@H+](CC1CC1)C[C@H]1CN(C(=O)[C@@H]2CCOC2)CCO1 ZINC000328643489 354244098 /nfs/dbraw/zinc/24/40/98/354244098.db2.gz RHTJRENCOBQUBI-KGLIPLIRSA-N 1 0 282.384 0.592 10 0 CCAERO CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)C1COC1 ZINC000330252282 354312758 /nfs/dbraw/zinc/31/27/58/354312758.db2.gz IGYZLSURQXKOGP-LLVKDONJSA-N 1 0 276.402 0.425 10 0 CCAERO NC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H](O)CC2)C1 ZINC000332380382 354658445 /nfs/dbraw/zinc/65/84/45/354658445.db2.gz XPVXYGLGWSUPOR-RYUDHWBXSA-N 1 0 283.372 0.607 10 0 CCAERO CN(C(=O)NC1CC(c2ccccc2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333647601 354769377 /nfs/dbraw/zinc/76/93/77/354769377.db2.gz VHQPLKMGQRYCTB-WUCCLRPBSA-N 1 0 289.379 0.907 10 0 CCAERO CNC(=O)[C@]1(C)CCN(C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333774524 354792062 /nfs/dbraw/zinc/79/20/62/354792062.db2.gz COOLTYHKKKLEQT-SMDDNHRTSA-N 1 0 282.388 0.296 10 0 CCAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CCn2cncc2C1 ZINC000333716701 354782384 /nfs/dbraw/zinc/78/23/84/354782384.db2.gz TYGCRSKCOMUQHH-NSHDSACASA-N 1 0 263.345 0.550 10 0 CCAERO CCO[C@@H]1COC[C@H]1NC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000333831444 354802279 /nfs/dbraw/zinc/80/22/79/354802279.db2.gz SVXRPAUVKXHPCN-CHWSQXEVSA-N 1 0 297.399 0.575 10 0 CCAERO CN(C(=O)N[C@H]1C[C@H]1c1cccc(F)c1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333857755 354806172 /nfs/dbraw/zinc/80/61/72/354806172.db2.gz YQIZNUJOSCRSSS-XUXIUFHCSA-N 1 0 293.342 0.656 10 0 CCAERO Cc1c(CNC(=O)N[C@H]2CCCC[NH2+]C2)cnn1C ZINC000333805365 354797549 /nfs/dbraw/zinc/79/75/49/354797549.db2.gz ORSXJFIERITGKK-LBPRGKRZSA-N 1 0 265.361 0.670 10 0 CCAERO Cc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c(Cl)c1 ZINC000335161235 354976149 /nfs/dbraw/zinc/97/61/49/354976149.db2.gz CNDFKSGRTOHWGH-SKDRFNHKSA-N 1 0 268.744 0.959 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(Cl)c(F)c1 ZINC000335162181 354977098 /nfs/dbraw/zinc/97/70/98/354977098.db2.gz QBOOZVALMDZBCL-KCJUWKMLSA-N 1 0 272.707 0.789 10 0 CCAERO O=C(NC1C[NH2+]C1)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000335379946 354994623 /nfs/dbraw/zinc/99/46/23/354994623.db2.gz UOPBDKSTFWGWEZ-HNNXBMFYSA-N 1 0 273.336 0.799 10 0 CCAERO C[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655506746 412602479 /nfs/dbraw/zinc/60/24/79/412602479.db2.gz XIVSQDOYNGPRQL-SVRRBLITSA-N 1 0 293.245 0.404 10 0 CCAERO CC(C)(O)CC[N@@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000372136874 535287198 /nfs/dbraw/zinc/28/71/98/535287198.db2.gz QYNJYMMYAWWORC-NSHDSACASA-N 1 0 276.402 0.304 10 0 CCAERO Cc1noc(CN(C)C(=O)[C@H]2CCC[NH2+][C@H]2C)n1 ZINC000655527621 412612642 /nfs/dbraw/zinc/61/26/42/412612642.db2.gz XSTQQTPUUDLKJC-WPRPVWTQSA-N 1 0 252.318 0.725 10 0 CCAERO Cc1noc(CN(C)C(=O)[C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000655527212 412613679 /nfs/dbraw/zinc/61/36/79/412613679.db2.gz KPTCYPXFCYZHNS-NXEZZACHSA-N 1 0 252.318 0.711 10 0 CCAERO CN1CC[C@H]([N@@H+]2C[C@H](CO)[C@H](c3ccsc3)C2)C1=O ZINC000188112223 283119333 /nfs/dbraw/zinc/11/93/33/283119333.db2.gz GEJOQKCWOUMECM-AGIUHOORSA-N 1 0 280.393 0.987 10 0 CCAERO CO[C@H](C)c1nsc(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC000328810944 202067691 /nfs/dbraw/zinc/06/76/91/202067691.db2.gz OKYPXMMPBJXJPE-OPRDCNLKSA-N 1 0 284.385 0.765 10 0 CCAERO CCCc1nc(CN2CC[C@H]3OCCN(C)[C@@H]3C2)no1 ZINC000328867794 202088740 /nfs/dbraw/zinc/08/87/40/202088740.db2.gz CGDJOSMEJDMHJP-VXGBXAGGSA-N 1 0 280.372 0.927 10 0 CCAERO CO[C@H]1C[C@@H](C(=O)N2CC[C@H](c3cnn(C)c3)C2)[N@H+](C)C1 ZINC000328991512 202141913 /nfs/dbraw/zinc/14/19/13/202141913.db2.gz DFLNFCXVTCYLCJ-UBHSHLNASA-N 1 0 292.383 0.455 10 0 CCAERO c1ccc(-n2nnnc2CCN2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000329161994 202212511 /nfs/dbraw/zinc/21/25/11/202212511.db2.gz ZIBLMBJRUXROAH-OAHLLOKOSA-N 1 0 298.394 0.985 10 0 CCAERO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCC[C@@H](CO)C1 ZINC000370073374 357350875 /nfs/dbraw/zinc/35/08/75/357350875.db2.gz ZZRIXFWHNSDZNC-WDEREUQCSA-N 1 0 271.361 0.315 10 0 CCAERO CC[C@@H](NS(=O)(=O)C[C@@H]1C[NH2+]CCO1)C(C)C ZINC000384005962 357719532 /nfs/dbraw/zinc/71/95/32/357719532.db2.gz HZPYHWMCXHYGNR-WDEREUQCSA-N 1 0 264.391 0.329 10 0 CCAERO Cc1noc(C)c1C[NH2+][C@@H]1CCCN(CCO)C1 ZINC000384550086 357720467 /nfs/dbraw/zinc/72/04/67/357720467.db2.gz IAJGVSSSYABZDY-GFCCVEGCSA-N 1 0 253.346 0.838 10 0 CCAERO N#Cc1ccccc1S(=O)(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000381237214 357709190 /nfs/dbraw/zinc/70/91/90/357709190.db2.gz YZVCNUIYZGMRMQ-RWMBFGLXSA-N 1 0 291.376 0.916 10 0 CCAERO CCc1nn(C)cc1C(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404048840 357813967 /nfs/dbraw/zinc/81/39/67/357813967.db2.gz DOACZWJHDAGQMU-STQMWFEESA-N 1 0 278.356 0.185 10 0 CCAERO COC(=O)c1ccc(CN2CC[C@@H]3OCC[NH2+][C@@H]3C2)o1 ZINC000404205536 357817686 /nfs/dbraw/zinc/81/76/86/357817686.db2.gz RZEMSGGHHZKYNY-NEPJUHHUSA-N 1 0 280.324 0.629 10 0 CCAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC(=O)NC1 ZINC000407989998 357854024 /nfs/dbraw/zinc/85/40/24/357854024.db2.gz MMLXKJYLIARNOO-GHMZBOCLSA-N 1 0 253.346 0.256 10 0 CCAERO CNS(=O)(=O)CCCN1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000407950609 357834574 /nfs/dbraw/zinc/83/45/74/357834574.db2.gz FUKQBFUKDZXEDS-QWHCGFSZSA-N 1 0 289.445 0.484 10 0 CCAERO CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCCNC2=O)CC1 ZINC000407981000 357849879 /nfs/dbraw/zinc/84/98/79/357849879.db2.gz QHSYMSRFMUGSDT-CYBMUJFWSA-N 1 0 296.415 0.685 10 0 CCAERO C[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000408021631 357871152 /nfs/dbraw/zinc/87/11/52/357871152.db2.gz ITBYYSRHESKOAR-YPMHNXCESA-N 1 0 281.400 0.844 10 0 CCAERO CN1CCO[C@H]2CCN(C(=O)CC(C)(C)O)C[C@H]21 ZINC000408029299 357874528 /nfs/dbraw/zinc/87/45/28/357874528.db2.gz HMLQCYAFCXRLHO-MNOVXSKESA-N 1 0 256.346 0.079 10 0 CCAERO CO[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2C[C@H](C)O)[N@H+](C)C1 ZINC000408043288 357883773 /nfs/dbraw/zinc/88/37/73/357883773.db2.gz 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NS(=O)(=O)N1CC[NH2+][C@H](c2cccc3cccnc32)C1 ZINC000616635328 365393893 /nfs/dbraw/zinc/39/38/93/365393893.db2.gz PWNSCWBBACWZOD-LBPRGKRZSA-N 1 0 292.364 0.385 10 0 CCAERO OCCN1CC[NH2+]C[C@@H]1c1ccc2nnccc2c1 ZINC000616637322 365396777 /nfs/dbraw/zinc/39/67/77/365396777.db2.gz VJKIYHUIYSHUMA-CQSZACIVSA-N 1 0 258.325 0.568 10 0 CCAERO OCCc1ccc([C@@H]2COCC[N@@H+](CCO)C2)cc1 ZINC000616599242 365379078 /nfs/dbraw/zinc/37/90/78/365379078.db2.gz WYSJNCVQKNINFA-HNNXBMFYSA-N 1 0 265.353 0.630 10 0 CCAERO NC(=O)c1cccc([C@@H]2COCC[N@H+](CCO)C2)c1 ZINC000616659926 365414033 /nfs/dbraw/zinc/41/40/33/365414033.db2.gz GSVACJBQNNVHNN-ZDUSSCGKSA-N 1 0 264.325 0.194 10 0 CCAERO [NH3+]CCN1CCCO[C@H](c2ccccc2CCO)C1 ZINC000616681730 365423379 /nfs/dbraw/zinc/42/33/79/365423379.db2.gz UYJGACSSPVEVSJ-HNNXBMFYSA-N 1 0 264.369 0.944 10 0 CCAERO CN(CC[N@H+](C)CCO)Cc1cnn(C(C)(C)C)c1 ZINC000623091806 367449763 /nfs/dbraw/zinc/44/97/63/367449763.db2.gz TVAFZRDDMATBEX-UHFFFAOYSA-N 1 0 268.405 0.994 10 0 CCAERO 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276.262 0.850 10 0 CCAERO [NH3+]CCn1cc(C(=O)N[C@@H]2CCc3c2cccc3F)nn1 ZINC000566508751 291419945 /nfs/dbraw/zinc/41/99/45/291419945.db2.gz YTIBLHRVDRAVDL-GFCCVEGCSA-N 1 0 289.314 0.793 10 0 CCAERO COC(=O)[C@@H]1CC[C@@H]([NH3+])CN1C(=O)OC(C)(C)C ZINC000071973327 284078470 /nfs/dbraw/zinc/07/84/70/284078470.db2.gz VSYXYJDOKAFLDT-BDAKNGLRSA-N 1 0 258.318 0.886 10 0 CCAERO O=C(N[C@@H]1CCc2n[nH]cc2C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178208240 284098186 /nfs/dbraw/zinc/09/81/86/284098186.db2.gz NPESTOUNABQNDC-CHWSQXEVSA-N 1 0 289.383 0.757 10 0 CCAERO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCOC[C@@H]2O)C1 ZINC000628466873 369270698 /nfs/dbraw/zinc/27/06/98/369270698.db2.gz KBKSAXWTGLZNAX-USZNOCQGSA-N 1 0 277.386 0.082 10 0 CCAERO CCCCOC[C@@H](O)C[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC000629617026 369741116 /nfs/dbraw/zinc/74/11/16/369741116.db2.gz FOEJNOYNOUWTBP-KBPBESRZSA-N 1 0 284.400 0.907 10 0 CCAERO CCCCS(=O)(=O)N1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630358304 370061190 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CO[C@@H]1CN(C(=O)CCc2nc(C)no2)[C@](C)(C[NH3+])C1 ZINC000630368590 370068824 /nfs/dbraw/zinc/06/88/24/370068824.db2.gz RQNXWHDHKHFCHO-GWCFXTLKSA-N 1 0 282.344 0.275 10 0 CCAERO CO[C@H]1CN(C(=O)c2ccc(C)nc2)[C@@](C)(C[NH3+])C1 ZINC000630369296 370070361 /nfs/dbraw/zinc/07/03/61/370070361.db2.gz ACWAJBUURMPKRL-TZMCWYRMSA-N 1 0 263.341 0.968 10 0 CCAERO CO[C@H]1CN(C(=O)c2cscn2)[C@@](C)(C[NH3+])C1 ZINC000630370958 370072114 /nfs/dbraw/zinc/07/21/14/370072114.db2.gz ITXWGCKDPDDCRO-LDYMZIIASA-N 1 0 255.343 0.721 10 0 CCAERO COc1ncccc1C(=O)N1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630376669 370079675 /nfs/dbraw/zinc/07/96/75/370079675.db2.gz FXNJEOOQOZBTQQ-IINYFYTJSA-N 1 0 279.340 0.669 10 0 CCAERO Cn1ncc2c1ncnc2NCCOCCC[NH3+] ZINC000630534718 370154075 /nfs/dbraw/zinc/15/40/75/370154075.db2.gz OPBVDUZUVJNXLY-UHFFFAOYSA-N 1 0 250.306 0.141 10 0 CCAERO [NH3+]CCCOCCNc1ncc(Br)cn1 ZINC000630535377 370155351 /nfs/dbraw/zinc/15/53/51/370155351.db2.gz USKXJMNKXXBINL-UHFFFAOYSA-N 1 0 275.150 0.438 10 0 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270.373 0.544 10 0 CCAERO O=C(N1CCO[C@@H](CCF)C1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634772624 372223304 /nfs/dbraw/zinc/22/33/04/372223304.db2.gz UYMZSFYOOSWJCO-OBJOEFQTSA-N 1 0 270.348 0.963 10 0 CCAERO O=C(NC[C@H]1CCCOC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634743741 372189701 /nfs/dbraw/zinc/18/97/01/372189701.db2.gz CKQDSOWWCBMDQO-DYEKYZERSA-N 1 0 252.358 0.919 10 0 CCAERO C[C@@H]1CN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)CCS1(=O)=O ZINC000634754535 372203644 /nfs/dbraw/zinc/20/36/44/372203644.db2.gz DMBWALOQFWVOCS-MDZLAQPJSA-N 1 0 286.397 0.022 10 0 CCAERO C[C@@H](NC(=O)c1ccco1)C(=O)NC1CCC([NH3+])CC1 ZINC000237575020 189882442 /nfs/dbraw/zinc/88/24/42/189882442.db2.gz NBJHXSWESSUZCO-KPPDAEKUSA-N 1 0 279.340 0.784 10 0 CCAERO CC(C)c1csc(CNC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)n1 ZINC000333146350 205070182 /nfs/dbraw/zinc/07/01/82/205070182.db2.gz DRUUQGUJULZGDA-QWRGUYRKSA-N 1 0 298.412 0.741 10 0 CCAERO Cc1cnn(CCNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000333137622 205061849 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C[C@H]1NC(=O)CC[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000635898749 373073257 /nfs/dbraw/zinc/07/32/57/373073257.db2.gz VZOIVUXGVRDQSA-NEPJUHHUSA-N 1 0 279.384 0.646 10 0 CCAERO C[C@@H]1OCC[C@@H]1NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000333599546 205486220 /nfs/dbraw/zinc/48/62/20/205486220.db2.gz QEUUHQCKSCQUSQ-AXFHLTTASA-N 1 0 279.344 0.110 10 0 CCAERO O=C(N[C@@H]1CCO[C@H]1C1CC1)N[C@@H]1CCC[NH2+]C1 ZINC000333629039 205525345 /nfs/dbraw/zinc/52/53/45/205525345.db2.gz SMTRAZNEBOQQFO-UTUOFQBUSA-N 1 0 253.346 0.605 10 0 CCAERO C[C@H]1CN(C(=O)NC[C@H]2C[NH2+]CCCO2)CCS1 ZINC000333872716 205791210 /nfs/dbraw/zinc/79/12/10/205791210.db2.gz UUZHEEKBSNFREB-WDEREUQCSA-N 1 0 273.402 0.512 10 0 CCAERO CC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000637850148 374406235 /nfs/dbraw/zinc/40/62/35/374406235.db2.gz IVLBYJVRNSTXOY-SRVKXCTJSA-N 1 0 253.346 0.241 10 0 CCAERO C[NH+]1CCC(C(=O)N[C@H]2CCCC[C@@H]2CO)CC1 ZINC000334151969 206099337 /nfs/dbraw/zinc/09/93/37/206099337.db2.gz 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CC(C)C[C@@H]([NH3+])C(=O)N[C@@H]1CCN(C2CCC2)C1=O ZINC000638797964 375372462 /nfs/dbraw/zinc/37/24/62/375372462.db2.gz XWCYNRBLVKURMS-VXGBXAGGSA-N 1 0 267.373 0.629 10 0 CCAERO CCC[C@H]([NH3+])C(=O)NCc1c(Br)cnn1C ZINC000638875304 375418046 /nfs/dbraw/zinc/41/80/46/375418046.db2.gz HTCFMAIPFQRBCI-QMMMGPOBSA-N 1 0 289.177 0.926 10 0 CCAERO CCc1nnsc1C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638886943 375427068 /nfs/dbraw/zinc/42/70/68/375427068.db2.gz MNCFCQAXUMDXBV-HTQZYQBOSA-N 1 0 254.359 0.767 10 0 CCAERO Cc1ccnc2nc(C(=O)N3C[C@H](C)[C@H](C[NH3+])C3)nn21 ZINC000638894370 375431630 /nfs/dbraw/zinc/43/16/30/375431630.db2.gz OCFQJIKXJKHUKQ-WCBMZHEXSA-N 1 0 274.328 0.100 10 0 CCAERO CC(=O)N[C@H](CC(C)C)C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638902636 375440057 /nfs/dbraw/zinc/44/00/57/375440057.db2.gz LGUFMEUMUNSULG-WCFLWFBJSA-N 1 0 269.389 0.590 10 0 CCAERO [NH3+]C1(CNc2nnnn2-c2ccccc2)CCCC1 ZINC000656610199 412835477 /nfs/dbraw/zinc/83/54/77/412835477.db2.gz LMIWULQUCLOZSJ-UHFFFAOYSA-N 1 0 258.329 0.768 10 0 CCAERO C[C@@H]1C[C@H](O)CC[N@@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000639939901 376138162 /nfs/dbraw/zinc/13/81/62/376138162.db2.gz SNIGLGMHJLLALE-JHJVBQTASA-N 1 0 290.429 0.503 10 0 CCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCN(C2CC2)CC1 ZINC000089457979 295271703 /nfs/dbraw/zinc/27/17/03/295271703.db2.gz FQPWSFKOKKFDIB-DGCLKSJQSA-N 1 0 251.374 0.668 10 0 CCAERO CCCc1csc(CNC[C@@H]2C[NH2+]C[C@@H]2O)n1 ZINC000263140628 535451139 /nfs/dbraw/zinc/45/11/39/535451139.db2.gz CGECHIFCWOBBGV-ONGXEEELSA-N 1 0 255.387 0.766 10 0 CCAERO C[C@@H]1CC(NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C[C@@H](C)C1 ZINC000333596450 296287483 /nfs/dbraw/zinc/28/74/83/296287483.db2.gz PABKIUZEXALGKV-UKJIMTQDSA-N 1 0 269.389 0.785 10 0 CCAERO O=C(CN1CSCC1=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186529492 295514313 /nfs/dbraw/zinc/51/43/13/295514313.db2.gz YDCCSHWIYALODA-SNVBAGLBSA-N 1 0 283.397 0.262 10 0 CCAERO CCC[C@H](C(=O)N1CCO[C@@H](C(=O)OC)C1)[NH+](C)C ZINC000133977080 284845610 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CCAERO CO[C@H]1C[C@@H](CN(C)Cc2cncnc2)[N@H+](C)C1 ZINC000284980495 196170718 /nfs/dbraw/zinc/17/07/18/196170718.db2.gz YRBWFUQDIPSXEN-STQMWFEESA-N 1 0 250.346 0.628 10 0 CCAERO C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)C(=O)N(C)C ZINC000035138145 172006019 /nfs/dbraw/zinc/00/60/19/172006019.db2.gz IWNVUNBLWMLKSY-SECBINFHSA-N 1 0 250.298 0.982 10 0 CCAERO CCCNC(=O)C[NH2+][C@@H](C)C(=O)NC(CC)CC ZINC000035207103 172051601 /nfs/dbraw/zinc/05/16/01/172051601.db2.gz PJXQDBNZGHZBBZ-JTQLQIEISA-N 1 0 257.378 0.796 10 0 CCAERO COCC(=O)Nc1cccc(NC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000035230015 172070683 /nfs/dbraw/zinc/07/06/83/172070683.db2.gz RWLIBSBSKRLRHD-GFCCVEGCSA-N 1 0 277.324 0.962 10 0 CCAERO COCC(=O)Nc1cccc(NC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000035230013 172071013 /nfs/dbraw/zinc/07/10/13/172071013.db2.gz RWLIBSBSKRLRHD-LBPRGKRZSA-N 1 0 277.324 0.962 10 0 CCAERO CCNS(=O)(=O)c1ccccc1N1CCC[NH2+]CC1 ZINC000035353539 172144130 /nfs/dbraw/zinc/14/41/30/172144130.db2.gz QHDNVONFHFMYKF-UHFFFAOYSA-N 1 0 283.397 0.785 10 0 CCAERO C[NH+](C)CCCNc1cc2c(cc1N)OCC(=O)N2 ZINC000035452918 172206171 /nfs/dbraw/zinc/20/61/71/172206171.db2.gz MXGFQMHLWWWCBS-UHFFFAOYSA-N 1 0 264.329 0.963 10 0 CCAERO CCn1c2cc(C(=O)NCC[NH+](C)C)ccc2oc1=O ZINC000035529905 172243405 /nfs/dbraw/zinc/24/34/05/172243405.db2.gz HSJXAEXPRPLJPB-UHFFFAOYSA-N 1 0 277.324 0.906 10 0 CCAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cnns3)C[C@@H]2C1 ZINC000036261800 172554850 /nfs/dbraw/zinc/55/48/50/172554850.db2.gz MXPCGLRORNUHNB-HRDYMLBCSA-N 1 0 252.343 0.738 10 0 CCAERO C[N@H+]([C@@H]1CCSC1)[C@]1(CN)CN2CCC1CC2 ZINC000037174571 173009665 /nfs/dbraw/zinc/00/96/65/173009665.db2.gz IIPRKZJFDTXPAJ-CHWSQXEVSA-N 1 0 255.431 0.847 10 0 CCAERO COCc1cc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)no1 ZINC000285778682 196396258 /nfs/dbraw/zinc/39/62/58/196396258.db2.gz MYGIYSWWNYQIMO-STQMWFEESA-N 1 0 295.339 0.366 10 0 CCAERO CCOC(=O)NC(=O)CN(CC)C1CC[NH2+]CC1 ZINC000037538365 173258490 /nfs/dbraw/zinc/25/84/90/173258490.db2.gz MFEXFCFGHDWWNK-UHFFFAOYSA-N 1 0 257.334 0.333 10 0 CCAERO C[C@@H](CN1CCCC1=O)NC(=O)C1CCC([NH3+])CC1 ZINC000037769330 173700451 /nfs/dbraw/zinc/70/04/51/173700451.db2.gz WTPMPOPHYJOEAW-UNXYVOJBSA-N 1 0 267.373 0.631 10 0 CCAERO CCOC(=O)C1CCC([NH2+][C@H]2CC(=O)NC2=O)CC1 ZINC000037789579 173720981 /nfs/dbraw/zinc/72/09/81/173720981.db2.gz JXGACLQOWDRWIK-RTBKNWGFSA-N 1 0 268.313 0.113 10 0 CCAERO C[NH2+]CCCC(=O)N(CCOC)[C@H]1CCSC1 ZINC000037810530 173754582 /nfs/dbraw/zinc/75/45/82/173754582.db2.gz MIFLVRSQUWZVCH-NSHDSACASA-N 1 0 260.403 0.967 10 0 CCAERO CNC(=O)[C@@H]1CCCCN1C(=O)C1CCC([NH3+])CC1 ZINC000037810863 173755735 /nfs/dbraw/zinc/75/57/35/173755735.db2.gz KUDDQLLBJIJADE-MCIGGMRASA-N 1 0 267.373 0.631 10 0 CCAERO CCCC[C@@H]([NH3+])C(=O)N1CCC(C(=O)NCC)CC1 ZINC000037819048 173770666 /nfs/dbraw/zinc/77/06/66/173770666.db2.gz NVNLHTDLXKRMJW-GFCCVEGCSA-N 1 0 269.389 0.879 10 0 CCAERO CC[C@@H](C)[NH2+]CC(=O)N1CCN(C(=O)N(C)C)CC1 ZINC000037819414 173771350 /nfs/dbraw/zinc/77/13/50/173771350.db2.gz LEQVGMOSCYQLDN-LLVKDONJSA-N 1 0 270.377 0.200 10 0 CCAERO O=C([C@@H]1CCC[NH2+]C1)N(CCO)CC(F)(F)F ZINC000037827407 173784542 /nfs/dbraw/zinc/78/45/42/173784542.db2.gz TZZACBLHBMUVFR-MRVPVSSYSA-N 1 0 254.252 0.369 10 0 CCAERO CN(C)S(=O)(=O)N1CCC[C@H]1C1CC[NH2+]CC1 ZINC000037916491 173851455 /nfs/dbraw/zinc/85/14/55/173851455.db2.gz GAWIUSQHTZOMQB-NSHDSACASA-N 1 0 261.391 0.257 10 0 CCAERO [NH3+]Cc1cccc(CS(=O)(=O)NC2CCOCC2)c1 ZINC000037918648 173854298 /nfs/dbraw/zinc/85/42/98/173854298.db2.gz LCUAPBTVXMWGSF-UHFFFAOYSA-N 1 0 284.381 0.744 10 0 CCAERO CCOCCNS(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000037918646 173854674 /nfs/dbraw/zinc/85/46/74/173854674.db2.gz YSQKSMBJDIKWIB-UHFFFAOYSA-N 1 0 272.370 0.601 10 0 CCAERO CN(CC(=O)N1CC[NH2+]CC1)Cc1cn2ccccc2n1 ZINC000038031488 174026117 /nfs/dbraw/zinc/02/61/17/174026117.db2.gz IBDHUALDTWDBRP-UHFFFAOYSA-N 1 0 287.367 0.198 10 0 CCAERO COCCN(C(=O)[C@H]1CCCN1C1CC[NH2+]CC1)C1CC1 ZINC000038043324 174050188 /nfs/dbraw/zinc/05/01/88/174050188.db2.gz HPZTTZWLIYHEJW-OAHLLOKOSA-N 1 0 295.427 0.840 10 0 CCAERO COC(=O)c1ccc(N[C@@H]2CCCC[C@@H]2[NH3+])nn1 ZINC000038051129 174062648 /nfs/dbraw/zinc/06/26/48/174062648.db2.gz MZVAWJPROZKTTK-DTWKUNHWSA-N 1 0 250.302 0.945 10 0 CCAERO [NH3+]CCCCCC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000038083698 174093457 /nfs/dbraw/zinc/09/34/57/174093457.db2.gz CEVJNPZQGQUELE-JTQLQIEISA-N 1 0 262.375 0.056 10 0 CCAERO O=S1(=O)CC[C@@H](C[NH2+][C@H]2CCCCC[C@@H]2O)C1 ZINC000038083904 174093638 /nfs/dbraw/zinc/09/36/38/174093638.db2.gz LMSYBJIEHQEWDS-SRVKXCTJSA-N 1 0 261.387 0.704 10 0 CCAERO C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)C(=O)N1CCCCC1 ZINC000038084074 174094114 /nfs/dbraw/zinc/09/41/14/174094114.db2.gz BSHPCHXCGUKQDG-RYUDHWBXSA-N 1 0 288.413 0.412 10 0 CCAERO COc1cccc(CC[NH3+])c1O[C@H]1CCS(=O)(=O)C1 ZINC000038085536 174096266 /nfs/dbraw/zinc/09/62/66/174096266.db2.gz QFSFSZTTYGNYGI-NSHDSACASA-N 1 0 285.365 0.762 10 0 CCAERO COc1ncnc(OC)c1CNC[C@H](C)[NH+](C)C ZINC000038087725 174099556 /nfs/dbraw/zinc/09/95/56/174099556.db2.gz KMXMKLDBHPUZRE-VIFPVBQESA-N 1 0 254.334 0.534 10 0 CCAERO CC[C@@H](C)N1C(=O)C[C@H]([NH2+]C[C@@H](C)N(C)C)C1=O ZINC000038089038 174102652 /nfs/dbraw/zinc/10/26/52/174102652.db2.gz SXCNITSZYVRIPW-MXWKQRLJSA-N 1 0 255.362 0.452 10 0 CCAERO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)Cc1ccco1 ZINC000038092763 174107079 /nfs/dbraw/zinc/10/70/79/174107079.db2.gz RPSSNHMPLVZPPO-IUCAKERBSA-N 1 0 253.302 0.644 10 0 CCAERO COC(=O)N1CCN(C(=O)CCCCC[NH3+])CC1 ZINC000038101795 174117948 /nfs/dbraw/zinc/11/79/48/174117948.db2.gz UHVRVHCUYSPIKT-UHFFFAOYSA-N 1 0 257.334 0.416 10 0 CCAERO COC[C@H](CCNC(=O)[C@@]1(C)CCCC[NH2+]1)OC ZINC000662618205 414733029 /nfs/dbraw/zinc/73/30/29/414733029.db2.gz VWLDVYZSZVMEKD-WCQYABFASA-N 1 0 258.362 0.686 10 0 CCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCO[C@@H]1CC1(F)F ZINC000662646196 414736881 /nfs/dbraw/zinc/73/68/81/414736881.db2.gz NBONPCGZXZSLCA-DJLDLDEBSA-N 1 0 250.289 0.900 10 0 CCAERO CN1CCO[C@H](CNC(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000662789089 414794489 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262.300 0.867 10 0 CCAERO C[C@H](N(C)S(=O)(=O)N(C)CCC[NH3+])C(C)(C)C ZINC000042768337 174870124 /nfs/dbraw/zinc/87/01/24/174870124.db2.gz UZVMBGNAZJGBIR-JTQLQIEISA-N 1 0 265.423 0.878 10 0 CCAERO CO[C@@H]1C[NH2+][C@H](C(=O)N(CC(F)(F)F)C2CC2)C1 ZINC000042779074 174875421 /nfs/dbraw/zinc/87/54/21/174875421.db2.gz JWALOISKGKIPSX-IUCAKERBSA-N 1 0 266.263 0.917 10 0 CCAERO COCCS(=O)(=O)N(CCC[NH3+])c1cccc(F)c1 ZINC000042807023 174883396 /nfs/dbraw/zinc/88/33/96/174883396.db2.gz NSCHRMQUFBJYJF-UHFFFAOYSA-N 1 0 290.360 0.957 10 0 CCAERO CN(C)C(=O)c1ccc(NCC23CC(C2)C[NH2+]3)nc1 ZINC000663274520 415032609 /nfs/dbraw/zinc/03/26/09/415032609.db2.gz SAXICYIFMDDEDI-UHFFFAOYSA-N 1 0 260.341 0.947 10 0 CCAERO COc1ccc([C@@H](C[NH3+])N(CC(N)=O)C(C)C)cc1 ZINC000042961832 174927454 /nfs/dbraw/zinc/92/74/54/174927454.db2.gz SKRWEBOVDASAQB-CYBMUJFWSA-N 1 0 265.357 0.891 10 0 CCAERO Cc1n[nH]c(C)c1S(=O)(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000071192870 176074801 /nfs/dbraw/zinc/07/48/01/176074801.db2.gz 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[NH3+][C@@H]1CC[C@H]2CN(c3cncc(-n4cccn4)n3)C[C@@H]12 ZINC000333922527 274959829 /nfs/dbraw/zinc/95/98/29/274959829.db2.gz RLYSWZNVBPQSJD-QJPTWQEYSA-N 1 0 270.340 0.836 10 0 CCAERO O=C([C@@H]1Cc2ccccc21)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424047355 275007207 /nfs/dbraw/zinc/00/72/07/275007207.db2.gz UWQDIKSDZKHVET-HZSPNIEDSA-N 1 0 258.321 0.526 10 0 CCAERO CC(=O)N1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)CC1 ZINC000183106012 275459716 /nfs/dbraw/zinc/45/97/16/275459716.db2.gz YKKQYSBNXCLWPJ-OBJOEFQTSA-N 1 0 297.399 0.223 10 0 CCAERO COC(=O)C1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000050499321 277052927 /nfs/dbraw/zinc/05/29/27/277052927.db2.gz XUERJGDOECCAFD-NSHDSACASA-N 1 0 254.330 0.540 10 0 CCAERO COC(=O)[C@](C)(O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094439788 277142875 /nfs/dbraw/zinc/14/28/75/277142875.db2.gz FDIZEWRXXHPALC-DGCLKSJQSA-N 1 0 256.346 0.081 10 0 CCAERO COC(=O)[C@@H]1CCCCN1C(=O)C1CC[NH2+]CC1 ZINC000037804321 277345082 /nfs/dbraw/zinc/34/50/82/277345082.db2.gz CRGNQBWCDALWIT-NSHDSACASA-N 1 0 254.330 0.540 10 0 CCAERO COC[C@@H]([NH3+])C(=O)N1CCOc2cc(C)ccc21 ZINC000262289620 277567291 /nfs/dbraw/zinc/56/72/91/277567291.db2.gz YGWXSWGQZAUFEL-SNVBAGLBSA-N 1 0 250.298 0.694 10 0 CCAERO C[C@H](C[C@@H]1COCCN1)[NH2+][C@H]1CCCC[C@@H]1CO ZINC000261568499 278217383 /nfs/dbraw/zinc/21/73/83/278217383.db2.gz JEGMQIUYYBXZDP-SYQHCUMBSA-N 1 0 256.390 0.894 10 0 CCAERO C[C@H]([NH3+])CC(=O)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000261901700 278224629 /nfs/dbraw/zinc/22/46/29/278224629.db2.gz ZCZFVLCYMYLGIJ-DMDPSCGWSA-N 1 0 279.384 0.726 10 0 CCAERO C[C@H](O)C[N@@H+]1CCN(CC(=O)N2CCC(C)CC2)C[C@@H]1C ZINC000247091075 278294521 /nfs/dbraw/zinc/29/45/21/278294521.db2.gz HPBKJDMEEWOOBM-GJZGRUSLSA-N 1 0 297.443 0.632 10 0 CCAERO CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CCCC[C@@H](CO)C1 ZINC000374050979 278363273 /nfs/dbraw/zinc/36/32/73/278363273.db2.gz PKJFWOAZCNUPBZ-LLVKDONJSA-N 1 0 285.388 0.705 10 0 CCAERO CCCC(=O)NCC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261909383 278658679 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Cc1noc(CCCN2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)n1 ZINC000408037858 279252651 /nfs/dbraw/zinc/25/26/51/279252651.db2.gz IMNRPDZUJPSXIO-QWHCGFSZSA-N 1 0 280.372 0.716 10 0 CCAERO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CC(=O)N[C@H](C)C1 ZINC000408161288 279303051 /nfs/dbraw/zinc/30/30/51/279303051.db2.gz LWXLUCVMQISCHU-JHJVBQTASA-N 1 0 281.400 0.892 10 0 CCAERO CC(C)N1C[C@@H](NC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)CC1=O ZINC000334947437 279549415 /nfs/dbraw/zinc/54/94/15/279549415.db2.gz HITZHONOZHWIES-RYUDHWBXSA-N 1 0 296.415 0.765 10 0 CCAERO CC(C)OCCS(=O)(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000130345371 279676743 /nfs/dbraw/zinc/67/67/43/279676743.db2.gz SPTPOOBGTYFPMH-LLVKDONJSA-N 1 0 264.391 0.458 10 0 CCAERO CC(C)O[C@H]1C[C@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C1(C)C ZINC000333609926 279709602 /nfs/dbraw/zinc/70/96/02/279709602.db2.gz QLQGFVAGBVGRFF-CYDGBPFRSA-N 1 0 299.415 0.553 10 0 CCAERO O=C([C@@H]1CNC(=O)C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000171042186 280103424 /nfs/dbraw/zinc/10/34/24/280103424.db2.gz ICQPPUZAIVFIJI-STQMWFEESA-N 1 0 279.384 0.599 10 0 CCAERO CC[C@H](C)NC(=O)[C@H](C)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247370943 280745143 /nfs/dbraw/zinc/74/51/43/280745143.db2.gz USGOMGBPVZZXPF-AVGNSLFASA-N 1 0 271.405 0.552 10 0 CCAERO CC1(C)CN(C(=O)C(=O)N2CCCCCC2)CC[C@@H]1[NH3+] ZINC000335052896 281148132 /nfs/dbraw/zinc/14/81/32/281148132.db2.gz VLZOBKABVLARKV-LBPRGKRZSA-N 1 0 281.400 0.975 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000113231728 288303638 /nfs/dbraw/zinc/30/36/38/288303638.db2.gz GJJRNBKASDEBJW-JHJVBQTASA-N 1 0 279.384 0.550 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1CC(=O)N(C)C1 ZINC000247485346 288311215 /nfs/dbraw/zinc/31/12/15/288311215.db2.gz TVCPIPQFYITZDE-WOPDTQHZSA-N 1 0 265.357 0.160 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccn(C)c(=O)c1 ZINC000247519386 288313483 /nfs/dbraw/zinc/31/34/83/288313483.db2.gz WPKBHBZTEBNEBC-YPMHNXCESA-N 1 0 275.352 0.694 10 0 CCAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCC(=O)NC(=O)NC 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0.080 10 0 CCAERO CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089457950 290562410 /nfs/dbraw/zinc/56/24/10/290562410.db2.gz YWDZPOVINSCUJJ-MXWKQRLJSA-N 1 0 253.346 0.098 10 0 CCAERO C[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1O ZINC000408217308 290569968 /nfs/dbraw/zinc/56/99/68/290569968.db2.gz LSXQKDDGERIOTL-GXFFZTMASA-N 1 0 263.341 0.991 10 0 CCAERO CO[C@@H](C)CS(=O)(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000262380777 293452726 /nfs/dbraw/zinc/45/27/26/293452726.db2.gz XVXQBBBUKOSKRA-UWVGGRQHSA-N 1 0 264.391 0.410 10 0 CCAERO Cn1cc([C@H]2CNCCN2C(=O)C[C@@H]2CCC[NH2+]2)cn1 ZINC000181410775 294300123 /nfs/dbraw/zinc/30/01/23/294300123.db2.gz NHWAPJMKDWFPAB-QWHCGFSZSA-N 1 0 277.372 0.035 10 0 CCAERO CC(C)n1cc(C[NH2+][C@H]2CCCN(CCO)C2)nn1 ZINC000384659085 545085431 /nfs/dbraw/zinc/08/54/31/545085431.db2.gz AYSCZQYWZBJUBZ-LBPRGKRZSA-N 1 0 267.377 0.405 10 0 CCAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)C(=O)N1CCCC1 ZINC000334986219 295214114 /nfs/dbraw/zinc/21/41/14/295214114.db2.gz JKZOBFMJASMDCV-MPEURRAXSA-N 1 0 279.384 0.631 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)c1cn2c(n1)CCCC2 ZINC000261640960 295257491 /nfs/dbraw/zinc/25/74/91/295257491.db2.gz GAIFSJACGJCZIQ-WDEREUQCSA-N 1 0 298.412 0.625 10 0 CCAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000261877342 295315025 /nfs/dbraw/zinc/31/50/25/295315025.db2.gz YOUYSHBARHXXPS-MELADBBJSA-N 1 0 292.383 0.628 10 0 CCAERO C[C@H](C(=O)N1CCO[C@@H](CO)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000408003469 298063618 /nfs/dbraw/zinc/06/36/18/298063618.db2.gz SFBPKXVHVXQJFU-YVECIDJPSA-N 1 0 270.373 0.467 10 0 CCAERO C[C@H](C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)C1C[NH2+]C1 ZINC000262554766 298181085 /nfs/dbraw/zinc/18/10/85/298181085.db2.gz PIBCFMHSSXSRKN-JTLRNRKASA-N 1 0 252.358 0.772 10 0 CCAERO C[C@H](C(F)(F)F)S(=O)(=O)N1CCC[NH2+]CC1 ZINC000334972491 298230396 /nfs/dbraw/zinc/23/03/96/298230396.db2.gz MIFCPDVBLAFENH-SSDOTTSWSA-N 1 0 260.281 0.562 10 0 CCAERO NC(=O)[C@@H]1CCCCN1C(=O)C[C@H]1CCCC[C@@H]1[NH3+] 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Cc1cnc(N2CCC[C@H](C(=O)NCC[NH3+])C2)nc1C ZINC000386588023 336176594 /nfs/dbraw/zinc/17/65/94/336176594.db2.gz VVVNPIVNCJDXOE-LBPRGKRZSA-N 1 0 277.372 0.385 10 0 CCAERO CC(C)Cn1ccnc(N2CC[C@@H](C[NH3+])C2)c1=O ZINC000061768206 519518015 /nfs/dbraw/zinc/51/80/15/519518015.db2.gz LCTRGOBTPSYUEW-NSHDSACASA-N 1 0 250.346 0.684 10 0 CCAERO C[NH2+]CCS(=O)(=O)Nc1ccc(CCO)cc1 ZINC000049630293 522014850 /nfs/dbraw/zinc/01/48/50/522014850.db2.gz YARLLJRSCCSNOY-UHFFFAOYSA-N 1 0 258.343 0.183 10 0 CCAERO C[NH2+]C[C@@H](Cc1cscn1)[C@@H]1CCS(=O)(=O)C1 ZINC000052950249 522033538 /nfs/dbraw/zinc/03/35/38/522033538.db2.gz NWJQLNLMEQWXEP-NXEZZACHSA-N 1 0 274.411 0.956 10 0 CCAERO C[C@@H](c1cnccn1)S(=O)(=O)N1CCC[C@@H]([NH3+])C1 ZINC000100256046 534130341 /nfs/dbraw/zinc/13/03/41/534130341.db2.gz GAXVHFJKGLRKSM-VHSXEESVSA-N 1 0 270.358 0.291 10 0 CCAERO COc1c(C[NH2+]C[C@H](O)C2CCC2)c(C)nn1C ZINC000315859147 518128384 /nfs/dbraw/zinc/12/83/84/518128384.db2.gz GQGWIBUMGJUNRZ-LBPRGKRZSA-N 1 0 253.346 0.988 10 0 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0.868 10 0 CCAERO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(N)nn2)C1 ZINC000062984878 520843953 /nfs/dbraw/zinc/84/39/53/520843953.db2.gz CXPUFNVIBZSLIP-SNVBAGLBSA-N 1 0 263.345 0.615 10 0 CCAERO CCC[C@@]1(C(=O)NCC(=O)NC2CC2)CCC[NH2+]C1 ZINC000062853717 520943069 /nfs/dbraw/zinc/94/30/69/520943069.db2.gz OCWGPXHHNUBHKL-CQSZACIVSA-N 1 0 267.373 0.551 10 0 CCAERO CCOc1ccccc1OCC[C@@H]([NH2+]C)C(N)=O ZINC000062548189 521566792 /nfs/dbraw/zinc/56/67/92/521566792.db2.gz XOLKZWZTJRWDEC-SNVBAGLBSA-N 1 0 252.314 0.928 10 0 CCAERO CCCn1ccnc(N(CCC(N)=[NH2+])C2CC2)c1=O ZINC000061761920 521659349 /nfs/dbraw/zinc/65/93/49/521659349.db2.gz ILUYKVNTDARQBH-UHFFFAOYSA-N 1 0 263.345 0.948 10 0 CCAERO C[NH+](C)CCN1CCN(c2cccc(F)n2)CC1 ZINC000061654835 521767381 /nfs/dbraw/zinc/76/73/81/521767381.db2.gz BMSINQPLZDWQIF-UHFFFAOYSA-N 1 0 252.337 0.904 10 0 CCAERO COCC[C@@H]([NH3+])C(=O)N1CCN(c2nccs2)CC1 ZINC000052790906 521822286 /nfs/dbraw/zinc/82/22/86/521822286.db2.gz QLTSGTMCYVDDFQ-SNVBAGLBSA-N 1 0 284.385 0.156 10 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ZINC000050711131 527567254 /nfs/dbraw/zinc/56/72/54/527567254.db2.gz LNNJTEUPSBUPDC-UHFFFAOYSA-N 1 0 260.341 0.832 10 0 CCAERO Cn1nnnc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000337282061 527656159 /nfs/dbraw/zinc/65/61/59/527656159.db2.gz JPBFKPRQVZAFSO-UTUOFQBUSA-N 1 0 265.361 0.726 10 0 CCAERO CCC[NH+]1CCC(NC(=O)N2CCC[C@@H]2C(=O)NC)CC1 ZINC000159121927 528198387 /nfs/dbraw/zinc/19/83/87/528198387.db2.gz NOGYMCLBZJSVGH-CYBMUJFWSA-N 1 0 296.415 0.781 10 0 CCAERO CCCCOC[C@@H](O)C[NH2+]C(C)(C)CN1CCOCC1 ZINC000308647727 528619534 /nfs/dbraw/zinc/61/95/34/528619534.db2.gz NLXBAANORBZUAD-AWEZNQCLSA-N 1 0 288.432 0.864 10 0 CCAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C(N)=O ZINC000195217842 528626318 /nfs/dbraw/zinc/62/63/18/528626318.db2.gz OPCUCQABZGSYLY-FRRDWIJNSA-N 1 0 272.389 0.798 10 0 CCAERO CC(C)n1nnnc1CN1CC[NH+](C(C)C)CC1 ZINC000195064610 528699991 /nfs/dbraw/zinc/69/99/91/528699991.db2.gz JCYXWFTZSQNOHV-UHFFFAOYSA-N 1 0 252.366 0.780 10 0 CCAERO 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CCAERO CCOc1cccc(CNC[C@H]2C[NH2+]C[C@@H]2O)n1 ZINC000263270701 535460314 /nfs/dbraw/zinc/46/03/14/535460314.db2.gz SDWUHCUVWKFZHM-JQWIXIFHSA-N 1 0 251.330 0.150 10 0 CCAERO CCOC(=O)C1CCN(c2nc[nH+]c(NN)c2N)CC1 ZINC000040752575 535605484 /nfs/dbraw/zinc/60/54/84/535605484.db2.gz NDHFWYOVMPZKFF-UHFFFAOYSA-N 1 0 280.332 0.124 10 0 CCAERO CCOCC[N@@H+]1CCN([C@@H](C)C(=O)OC)C[C@H]1C ZINC000252321488 535605885 /nfs/dbraw/zinc/60/58/85/535605885.db2.gz APPSUEXHVMIRQD-NEPJUHHUSA-N 1 0 258.362 0.591 10 0 CCAERO CC[C@@]1(C(=O)Nc2ccc(OCC(N)=O)cc2)CC[NH2+]C1 ZINC000062892762 536027435 /nfs/dbraw/zinc/02/74/35/536027435.db2.gz PMTBIKYUYNUKPH-OAHLLOKOSA-N 1 0 291.351 0.879 10 0 CCAERO CO[C@H](C[NH3+])CC(=O)N[C@H](C[S@@](C)=O)c1ccccc1 ZINC000262747538 536570084 /nfs/dbraw/zinc/57/00/84/536570084.db2.gz ARPSKUFJNZKWTA-MRRFBWAASA-N 1 0 298.408 0.586 10 0 CCAERO CO[C@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261692050 536691161 /nfs/dbraw/zinc/69/11/61/536691161.db2.gz 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O[C@H]1C[NH2+]C[C@H]1CNCc1ccn(-c2ccccc2)n1 ZINC000263226260 137060953 /nfs/dbraw/zinc/06/09/53/137060953.db2.gz MVSDTDMFGDBJFP-DOMZBBRYSA-N 1 0 272.352 0.542 10 0 CCAERO C[C@H]([NH2+][C@H]1CCS(=O)(=O)C1)C(=O)N1CCCCC1 ZINC000034936767 348152814 /nfs/dbraw/zinc/15/28/14/348152814.db2.gz OAUPBFPJQRUGKX-QWRGUYRKSA-N 1 0 274.386 0.164 10 0 CCAERO CCNC(=O)C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000035018199 348154066 /nfs/dbraw/zinc/15/40/66/348154066.db2.gz OVVXGDVYBFVWOR-VIFPVBQESA-N 1 0 285.369 0.121 10 0 CCAERO Cc1cc(NC(=O)[C@H]2CCC[NH2+]C2)ccc1-n1cnnn1 ZINC000037045162 348184520 /nfs/dbraw/zinc/18/45/20/348184520.db2.gz XBTVQLXGKJKOSQ-NSHDSACASA-N 1 0 286.339 0.909 10 0 CCAERO O[C@@H]1C[NH2+]C[C@@H](Oc2ccccc2)[C@H]1c1c[nH]cn1 ZINC000038476286 348226983 /nfs/dbraw/zinc/22/69/83/348226983.db2.gz URDVGFOVWHMGHT-MCIONIFRSA-N 1 0 259.309 0.905 10 0 CCAERO CCNC(=O)c1cccc(NC(=O)[C@H]2C[C@@H](OC)C[NH2+]2)c1 ZINC000040632830 348239189 /nfs/dbraw/zinc/23/91/89/348239189.db2.gz 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Cn1ccc(S(=O)(=O)NCC[C@H]2CC[NH2+]C2)c1 ZINC000104361974 185984071 /nfs/dbraw/zinc/98/40/71/185984071.db2.gz PVHOWJAJAOZQKO-SNVBAGLBSA-N 1 0 257.359 0.303 10 0 CCAERO Cc1cc(C(=O)NCCOC2CC[NH2+]CC2)on1 ZINC000104387400 185989373 /nfs/dbraw/zinc/98/93/73/185989373.db2.gz CYBRGGHPGZAOOW-UHFFFAOYSA-N 1 0 253.302 0.481 10 0 CCAERO CCCN1C(=O)C[C@@H]([NH2+]CCOCC(F)(F)F)C1=O ZINC000104441449 186003313 /nfs/dbraw/zinc/00/33/13/186003313.db2.gz BVNJELHWHWXLSX-MRVPVSSYSA-N 1 0 282.262 0.692 10 0 CCAERO CC(C)(C)C(=O)N[C@@H]1C[NH2+]C[C@@H]1NC(=O)C(C)(C)C ZINC000090615701 180014010 /nfs/dbraw/zinc/01/40/10/180014010.db2.gz QCVLUKDDEIBADM-AOOOYVTPSA-N 1 0 269.389 0.651 10 0 CCAERO CCOC(=O)COCCN1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000124402107 350097365 /nfs/dbraw/zinc/09/73/65/350097365.db2.gz QRQBPIDNOJIJBK-VXGBXAGGSA-N 1 0 258.362 0.448 10 0 CCAERO CCC(CC)[C@H](C)NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O ZINC000104444356 186004058 /nfs/dbraw/zinc/00/40/58/186004058.db2.gz YNOFFNNWZGZKOD-ONGXEEELSA-N 1 0 278.418 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277.372 0.763 10 0 CCAERO Cn1nccc1/C=C/C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000129608012 350217940 /nfs/dbraw/zinc/21/79/40/350217940.db2.gz ZRWDDAPXWIOUGL-NWKCPVGESA-N 1 0 260.341 0.833 10 0 CCAERO CC(=O)NCCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105078372 186040695 /nfs/dbraw/zinc/04/06/95/186040695.db2.gz NFDVLWJHSHSHCE-LBPRGKRZSA-N 1 0 268.361 0.002 10 0 CCAERO CC(C)[NH+](CCNC(=O)N1CCNC(=O)CC1)C(C)C ZINC000105075618 186041003 /nfs/dbraw/zinc/04/10/03/186041003.db2.gz LPIDFDISGBQNDL-UHFFFAOYSA-N 1 0 284.404 0.637 10 0 CCAERO C[C@H](CNC(=O)N1CCC[C@@H]([NH+](C)C)C1)N1CCOCC1 ZINC000105124315 186044119 /nfs/dbraw/zinc/04/41/19/186044119.db2.gz NEQXRXQNGCBVNW-ZIAGYGMSSA-N 1 0 298.431 0.443 10 0 CCAERO CC[C@H]1CN(CCC(=O)N(C)CC)CC[N@@H+]1C[C@@H](C)O ZINC000130349462 350235179 /nfs/dbraw/zinc/23/51/79/350235179.db2.gz LOBLIMFQWODPSK-KGLIPLIRSA-N 1 0 285.432 0.632 10 0 CCAERO CNC(=O)C(C)(C)CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000130513311 350239916 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ZINC000105870039 186080445 /nfs/dbraw/zinc/08/04/45/186080445.db2.gz FEEAGMYVJRVWNM-CYBMUJFWSA-N 1 0 294.399 0.879 10 0 CCAERO CCOC(=O)[C@H](C)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000105870040 186081488 /nfs/dbraw/zinc/08/14/88/186081488.db2.gz FEEAGMYVJRVWNM-ZDUSSCGKSA-N 1 0 294.399 0.879 10 0 CCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NCCCOC ZINC000136074627 350414839 /nfs/dbraw/zinc/41/48/39/350414839.db2.gz NVKPDBLUJZSVBS-UONOGXRCSA-N 1 0 283.416 0.698 10 0 CCAERO CCNC(=O)CC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105805575 186073183 /nfs/dbraw/zinc/07/31/83/186073183.db2.gz APYKTWZPBIUAHD-UHFFFAOYSA-N 1 0 277.372 0.879 10 0 CCAERO CC[C@H]1CN(CC(=O)N(C)C2CC2)CC[N@@H+]1C[C@@H](C)O ZINC000105827753 186074860 /nfs/dbraw/zinc/07/48/60/186074860.db2.gz RYCXLXLHFUVTRG-OLZOCXBDSA-N 1 0 283.416 0.384 10 0 CCAERO CCOC(=O)CCCN1CC[N@H+](CCOC)[C@H](C)C1 ZINC000105834225 186076122 /nfs/dbraw/zinc/07/61/22/186076122.db2.gz XTFVRCDBZHTBEP-CYBMUJFWSA-N 1 0 272.389 0.982 10 0 CCAERO 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1 0 299.415 0.424 10 0 CCAERO O=C([C@H]1[NH2+]CCc2ccccc21)N1CCO[C@@H](CO)C1 ZINC000157892453 350651591 /nfs/dbraw/zinc/65/15/91/350651591.db2.gz ZJWICWQMDGEOCP-OCCSQVGLSA-N 1 0 276.336 0.093 10 0 CCAERO CCOC(=O)c1cccnc1N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000156536982 350631501 /nfs/dbraw/zinc/63/15/01/350631501.db2.gz CHBOENDNHWMTHV-PWSUYJOCSA-N 1 0 279.340 0.811 10 0 CCAERO C[C@H](CNC(=O)[C@@H]1COCCN1)[NH+]1CCC(C)CC1 ZINC000166332422 350797599 /nfs/dbraw/zinc/79/75/99/350797599.db2.gz WNTPOXINZRODHW-OLZOCXBDSA-N 1 0 269.389 0.211 10 0 CCAERO CN(C)C(=O)c1cc(NC(=O)[C@@]2(F)CC[NH2+]C2)ccn1 ZINC000166940104 350803315 /nfs/dbraw/zinc/80/33/15/350803315.db2.gz XJNGCBRAGJZGAW-CYBMUJFWSA-N 1 0 280.303 0.424 10 0 CCAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc3n[nH]nc3c2)C1 ZINC000170857397 350867830 /nfs/dbraw/zinc/86/78/30/350867830.db2.gz VEWUHSXGUDVZMQ-SNVBAGLBSA-N 1 0 259.313 0.734 10 0 CCAERO Cc1n[nH]c(C)c1CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171880569 350939741 /nfs/dbraw/zinc/93/97/41/350939741.db2.gz XTZPRMUDHFAVCK-GFCCVEGCSA-N 1 0 262.357 0.876 10 0 CCAERO CC(C)(O)C[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000171439533 350909103 /nfs/dbraw/zinc/90/91/03/350909103.db2.gz LLCULVDPLONGIP-UHFFFAOYSA-N 1 0 267.373 0.826 10 0 CCAERO Cn1cc([C@H]2CCC[N@@H+]2CCN2C(=O)CCC2=O)cn1 ZINC000171504428 350913102 /nfs/dbraw/zinc/91/31/02/350913102.db2.gz QQTLZWHPBTUAPY-GFCCVEGCSA-N 1 0 276.340 0.706 10 0 CCAERO O=C(Nc1ccccc1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171586371 350918224 /nfs/dbraw/zinc/91/82/24/350918224.db2.gz SYYQLXMGTAPYBS-ZDUSSCGKSA-N 1 0 273.336 0.932 10 0 CCAERO COc1cccc(CN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)n1 ZINC000171828664 350936353 /nfs/dbraw/zinc/93/63/53/350936353.db2.gz KLSCPUJCFZNJOC-CHWSQXEVSA-N 1 0 279.384 0.977 10 0 CCAERO CC(C)[NH+]1CCC(NC(=O)NC[C@@H]2CN(C)CCO2)CC1 ZINC000170920413 350874188 /nfs/dbraw/zinc/87/41/88/350874188.db2.gz SBALHGKWAAYTRE-CQSZACIVSA-N 1 0 298.431 0.489 10 0 CCAERO COC(=O)NCCCC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000170965438 350877428 /nfs/dbraw/zinc/87/74/28/350877428.db2.gz VJGHPRBRQLQKKT-LBPRGKRZSA-N 1 0 283.372 0.819 10 0 CCAERO CC(C)CCC(=O)NCC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171192382 350892358 /nfs/dbraw/zinc/89/23/58/350892358.db2.gz ADZPCEDRVVBMHO-ZDUSSCGKSA-N 1 0 281.400 0.845 10 0 CCAERO COCCn1ccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000172412148 350983030 /nfs/dbraw/zinc/98/30/30/350983030.db2.gz DULNDNYXZDAQAC-GFCCVEGCSA-N 1 0 293.371 0.841 10 0 CCAERO O=C(CN1CCC[N@@H+](C2CC2)CC1)NCc1cccnc1 ZINC000172541306 350991001 /nfs/dbraw/zinc/99/10/01/350991001.db2.gz ZPZMDZMJAJYHCG-UHFFFAOYSA-N 1 0 288.395 0.868 10 0 CCAERO CC[C@@H]1CN(C(=O)Nc2nncs2)CC[N@@H+]1C[C@@H](C)O ZINC000173271043 351032813 /nfs/dbraw/zinc/03/28/13/351032813.db2.gz RRXSPWQJSZSRBQ-NXEZZACHSA-N 1 0 299.400 0.847 10 0 CCAERO C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173928976 351062327 /nfs/dbraw/zinc/06/23/27/351062327.db2.gz AVPKJAVCNSMUSY-ZFWWWQNUSA-N 1 0 295.427 0.840 10 0 CCAERO O=C(CN1CC[N@@H+]2CCCC[C@H]2C1)NC(=O)NC1CC1 ZINC000172803626 351011673 /nfs/dbraw/zinc/01/16/73/351011673.db2.gz GQXCCAHSKMHNGM-LBPRGKRZSA-N 1 0 280.372 0.145 10 0 CCAERO CCOC(=O)CN1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000174882798 351108644 /nfs/dbraw/zinc/10/86/44/351108644.db2.gz IKWRVTZFVHRRQG-CQSZACIVSA-N 1 0 283.416 0.651 10 0 CCAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(NC=O)cc2)CCO1 ZINC000174923504 351111150 /nfs/dbraw/zinc/11/11/50/351111150.db2.gz UHRNLJWPKVALLI-CQSZACIVSA-N 1 0 291.351 0.658 10 0 CCAERO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ncncc1Cl ZINC000175208803 351122407 /nfs/dbraw/zinc/12/24/07/351122407.db2.gz XJIJWMNXFVZWHY-JTQLQIEISA-N 1 0 297.790 0.496 10 0 CCAERO C[C@@H]1C[NH+](CCCNC(=O)CC(=O)N(C)C)C[C@@H](C)O1 ZINC000174500768 351088521 /nfs/dbraw/zinc/08/85/21/351088521.db2.gz FXXDAPGDJUZQAZ-VXGBXAGGSA-N 1 0 285.388 0.080 10 0 CCAERO Cn1cncc1C[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000177034246 351192041 /nfs/dbraw/zinc/19/20/41/351192041.db2.gz GLAJTKIZOAFYKL-UHFFFAOYSA-N 1 0 289.383 0.989 10 0 CCAERO COCCC[N@H+](C)CCNC(=O)[C@@H]1CCCn2ccnc21 ZINC000176442900 351174620 /nfs/dbraw/zinc/17/46/20/351174620.db2.gz YDHHNXMZGZPAJG-CYBMUJFWSA-N 1 0 294.399 0.845 10 0 CCAERO COCCOCCN1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000175645989 351138758 /nfs/dbraw/zinc/13/87/58/351138758.db2.gz BDKXXFDLNKDGGP-QWHCGFSZSA-N 1 0 260.378 0.036 10 0 CCAERO Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000175719552 351140303 /nfs/dbraw/zinc/14/03/03/351140303.db2.gz HNORAOGXTWKVNA-RYUDHWBXSA-N 1 0 292.387 0.815 10 0 CCAERO CCOC(=O)NCCCC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000178538909 351234674 /nfs/dbraw/zinc/23/46/74/351234674.db2.gz WVSKVCAIKWYAGU-LBPRGKRZSA-N 1 0 283.372 0.819 10 0 CCAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CC(=O)N1CCNC1=O ZINC000178746575 351243449 /nfs/dbraw/zinc/24/34/49/351243449.db2.gz PDCSPAWHKPFYJL-LBPRGKRZSA-N 1 0 291.355 0.208 10 0 CCAERO CC1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)OCCO1 ZINC000179196243 351261319 /nfs/dbraw/zinc/26/13/19/351261319.db2.gz ZPNDOVBKLQLLOJ-ZDUSSCGKSA-N 1 0 298.383 0.509 10 0 CCAERO C[C@H](C(=O)NC[C@@H]1CCCO1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177781434 351213342 /nfs/dbraw/zinc/21/33/42/351213342.db2.gz DYVMMFOJCKSGGK-KFWWJZLASA-N 1 0 295.427 0.840 10 0 CCAERO COCc1cc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)ncn1 ZINC000180992232 351296843 /nfs/dbraw/zinc/29/68/43/351296843.db2.gz MTHZDSNSOYMSBQ-GFCCVEGCSA-N 1 0 291.355 0.935 10 0 CCAERO Cn1cnc2cc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)cnc21 ZINC000181047989 351301036 /nfs/dbraw/zinc/30/10/36/351301036.db2.gz RLMPWEWCQDZALV-LBPRGKRZSA-N 1 0 285.351 0.889 10 0 CCAERO CCC[C@@H](C(=O)NC[C@H]1CC(=O)N(C2CC2)C1)[NH+](C)C ZINC000181183024 351305608 /nfs/dbraw/zinc/30/56/08/351305608.db2.gz ZUHQCIRWXVPAGL-YPMHNXCESA-N 1 0 281.400 0.844 10 0 CCAERO CC[C@H]1CN(C(=O)Nc2ncnn2C)CC[N@@H+]1CCOC ZINC000181278633 351310395 /nfs/dbraw/zinc/31/03/95/351310395.db2.gz FHZWVSAXMACZCA-NSHDSACASA-N 1 0 296.375 0.390 10 0 CCAERO CCOC(=O)C(C)(C)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179419803 351266145 /nfs/dbraw/zinc/26/61/45/351266145.db2.gz SQDVQYCNUSGMAI-LLVKDONJSA-N 1 0 268.357 0.882 10 0 CCAERO CC[C@@H]1CN(Cc2c[nH]cn2)CC[N@@H+]1CCOC ZINC000179512379 351269835 /nfs/dbraw/zinc/26/98/35/351269835.db2.gz KSRQCYBVXSARMC-CYBMUJFWSA-N 1 0 252.362 0.952 10 0 CCAERO CCc1nnc(CN2CCC[C@H](Cn3cncn3)C2)[nH]1 ZINC000181705889 351333104 /nfs/dbraw/zinc/33/31/04/351333104.db2.gz ULOAFGODSBAKAX-NSHDSACASA-N 1 0 275.360 0.871 10 0 CCAERO C[C@H](C[S@@](C)=O)NC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000182614300 351366145 /nfs/dbraw/zinc/36/61/45/351366145.db2.gz BISVXXOJAUTLLP-HNYWDRBLSA-N 1 0 287.429 0.633 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC(=O)NCC1CC1 ZINC000183779349 351390554 /nfs/dbraw/zinc/39/05/54/351390554.db2.gz XVVQUVNSOYXVSD-DGCLKSJQSA-N 1 0 294.399 0.391 10 0 CCAERO CC(C)[NH2+]C1CCN(C(=O)NCC(=O)NCC2CC2)CC1 ZINC000183794115 351391867 /nfs/dbraw/zinc/39/18/67/351391867.db2.gz SSYZBUOBWVJWEV-UHFFFAOYSA-N 1 0 296.415 0.685 10 0 CCAERO COC1(CNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)CCC1 ZINC000181796796 351337813 /nfs/dbraw/zinc/33/78/13/351337813.db2.gz DOZOPUYOTMQJHZ-CYBMUJFWSA-N 1 0 299.415 0.702 10 0 CCAERO Cc1n[nH]c(C)c1CC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000182029466 351345615 /nfs/dbraw/zinc/34/56/15/351345615.db2.gz DHUKZRAHKHRRLI-GHMZBOCLSA-N 1 0 294.399 0.483 10 0 CCAERO COCc1nc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)no1 ZINC000182484127 351364191 /nfs/dbraw/zinc/36/41/91/351364191.db2.gz CQDQLEMSSOWAKH-WDEREUQCSA-N 1 0 266.345 0.885 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CCCCOC)C1 ZINC000186388194 351494125 /nfs/dbraw/zinc/49/41/25/351494125.db2.gz QXXLGOQKYCSILH-GFCCVEGCSA-N 1 0 278.418 0.817 10 0 CCAERO Nc1nccnc1C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186516012 351499809 /nfs/dbraw/zinc/49/98/09/351499809.db2.gz LNVMYKONGXTNLC-VIFPVBQESA-N 1 0 261.329 0.415 10 0 CCAERO CCOCC[N@@H+]1CCN(C(=O)CC(=O)NC)C[C@@H]1CC ZINC000186577187 351503998 /nfs/dbraw/zinc/50/39/98/351503998.db2.gz CHQZVNDDMAFBMS-LBPRGKRZSA-N 1 0 285.388 0.082 10 0 CCAERO Cc1cc(N2CC[NH+](CC[C@H]3CCOC3=O)CC2)n[nH]1 ZINC000187183175 351532265 /nfs/dbraw/zinc/53/22/65/351532265.db2.gz WPXUPKSFOHBRFN-LBPRGKRZSA-N 1 0 278.356 0.793 10 0 CCAERO Cc1cc(N2CC[NH+](C[C@H](O)COCC(C)C)CC2)n[nH]1 ZINC000187257308 351535595 /nfs/dbraw/zinc/53/55/95/351535595.db2.gz UDUXRRLYYLERDX-AWEZNQCLSA-N 1 0 296.415 0.874 10 0 CCAERO COC(=O)c1cc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)ncn1 ZINC000603297257 363053588 /nfs/dbraw/zinc/05/35/88/363053588.db2.gz YXOAEDGSFXISHD-QWRGUYRKSA-N 1 0 276.340 0.936 10 0 CCAERO O=C(Nn1cnc2ccccc21)c1n[nH]c2c1C[NH2+]CC2 ZINC000188267225 351584144 /nfs/dbraw/zinc/58/41/44/351584144.db2.gz AZZXFBOUNAWWRX-UHFFFAOYSA-N 1 0 282.307 0.789 10 0 CCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H](O)c2ccsc2)C1 ZINC000187841592 351558833 /nfs/dbraw/zinc/55/88/33/351558833.db2.gz YIYPGOXRZLZKSD-HBNTYKKESA-N 1 0 270.354 0.275 10 0 CCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)Cc2ncc(Cl)n2C)C1 ZINC000189327646 351669581 /nfs/dbraw/zinc/66/95/81/351669581.db2.gz FKGQZFHADIDSQO-DTWKUNHWSA-N 1 0 286.763 0.409 10 0 CCAERO C[C@@H](C(=O)N1CCCN(C)C(=O)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000190362585 351719449 /nfs/dbraw/zinc/71/94/49/351719449.db2.gz ISVZZBVMVKFUPA-UPJWGTAASA-N 1 0 281.400 0.938 10 0 CCAERO CN1CCCN([C@H](C(N)=O)c2ccccc2)CC1=O ZINC000191112065 351746636 /nfs/dbraw/zinc/74/66/36/351746636.db2.gz VTEZZLZUPMAZPZ-ZDUSSCGKSA-N 1 0 261.325 0.377 10 0 CCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)Nn2cnc3ccccc32)C1 ZINC000191880441 351776816 /nfs/dbraw/zinc/77/68/16/351776816.db2.gz DETZEABXJGYQMQ-GXSJLCMTSA-N 1 0 260.297 0.483 10 0 CCAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@H](C(=O)NC)C1 ZINC000193252718 351818870 /nfs/dbraw/zinc/81/88/70/351818870.db2.gz AUDRLRDIQYRNOG-QWHCGFSZSA-N 1 0 272.389 0.622 10 0 CCAERO C[C@@H]1C[N@H+](Cc2ccnc(N)c2)C[C@@H]1N1CCOCC1 ZINC000193376900 351825901 /nfs/dbraw/zinc/82/59/01/351825901.db2.gz JNXIQDQCQILFFY-OCCSQVGLSA-N 1 0 276.384 0.816 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCO[C@@H]1C ZINC000122111712 187015459 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278.352 0.628 10 0 CCAERO O[C@H](C[NH2+][C@H]1CCOC[C@H]1O)COCc1cccs1 ZINC000629610590 369740425 /nfs/dbraw/zinc/74/04/25/369740425.db2.gz MOVROWRLGSWWPB-KGYLQXTDSA-N 1 0 287.381 0.365 10 0 CCAERO CO[C@@H]1C[NH2+][C@](C)(c2nc(-c3cnccn3)no2)C1 ZINC000629678303 369754650 /nfs/dbraw/zinc/75/46/50/369754650.db2.gz GYHSSCXQIDAUBO-UFBFGSQYSA-N 1 0 261.285 0.750 10 0 CCAERO CO[C@@H]1CN(S(=O)(=O)CC2CC2)[C@](C)(C[NH3+])C1 ZINC000630359426 370061914 /nfs/dbraw/zinc/06/19/14/370061914.db2.gz CJUBOQHSCRKZHZ-QWRGUYRKSA-N 1 0 262.375 0.164 10 0 CCAERO CCCCN(C)S(=O)(=O)N1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630359688 370062224 /nfs/dbraw/zinc/06/22/24/370062224.db2.gz MVRKHYGYWVJPRX-NEPJUHHUSA-N 1 0 293.433 0.401 10 0 CCAERO CO[C@H]1CN(S(=O)(=O)c2cccnc2)[C@@](C)(C[NH3+])C1 ZINC000630360552 370063598 /nfs/dbraw/zinc/06/35/98/370063598.db2.gz PXHRKZLKMMQITL-ZYHUDNBSSA-N 1 0 285.369 0.208 10 0 CCAERO CO[C@@H]1CN(C(=O)COCC(F)(F)F)[C@](C)(C[NH3+])C1 ZINC000630365414 370066391 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C[C@H]1CN(C(=O)N=c2cc3ccccn3[nH]2)C[C@@H]1C[NH3+] ZINC000632946992 371335875 /nfs/dbraw/zinc/33/58/75/371335875.db2.gz UTPZRAUJGVQXNI-QWRGUYRKSA-N 1 0 273.340 0.815 10 0 CCAERO C[C@@H]1CN=C(N2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)S1 ZINC000237453049 189876831 /nfs/dbraw/zinc/87/68/31/189876831.db2.gz YPBXZCOXFBLOGT-MNOVXSKESA-N 1 0 282.413 0.374 10 0 CCAERO C[C@H](CN1CCOCC1)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634765309 372212523 /nfs/dbraw/zinc/21/25/23/372212523.db2.gz PBMOVWNVGMUGLI-IPYPFGDCSA-N 1 0 281.400 0.213 10 0 CCAERO C[C@H](NC(=O)[C@]12CCC[C@H]1C[NH2+]C2)C(=O)N1CCCC1 ZINC000634770983 372222392 /nfs/dbraw/zinc/22/23/92/372222392.db2.gz DWSMILBEKMWQJQ-HUBLWGQQSA-N 1 0 279.384 0.503 10 0 CCAERO CC(C)N1CC[C@@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1=O ZINC000634753571 372201985 /nfs/dbraw/zinc/20/19/85/372201985.db2.gz JJWCYQGHRSQPSG-ZOWXZIJZSA-N 1 0 279.384 0.502 10 0 CCAERO COc1ncncc1NC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333078784 205010901 /nfs/dbraw/zinc/01/09/01/205010901.db2.gz AIQBSDKUIRARKE-VIFPVBQESA-N 1 0 265.317 0.749 10 0 CCAERO Cc1cnn(CCNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000333162311 205082871 /nfs/dbraw/zinc/08/28/71/205082871.db2.gz GQTDOASRGGYRNM-IHRRRGAJSA-N 1 0 291.399 0.960 10 0 CCAERO CN(C(=O)NCC1(C2CC2)CCC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333350815 205243848 /nfs/dbraw/zinc/24/38/48/205243848.db2.gz JNSFLQZLMYFFKR-RYUDHWBXSA-N 1 0 267.373 0.541 10 0 CCAERO C[C@H]1OCC[C@H]1NC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000333476235 205353883 /nfs/dbraw/zinc/35/38/83/205353883.db2.gz AYRGGGPLRMROQF-IJLUTSLNSA-N 1 0 255.362 0.934 10 0 CCAERO C[C@@H]1OCC[C@H]1NC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000333514806 205394643 /nfs/dbraw/zinc/39/46/43/205394643.db2.gz GAPVJFQXAKMIEV-LOWVWBTDSA-N 1 0 255.362 0.853 10 0 CCAERO O=S(=O)(c1ccnc(N[C@@H]2CC[NH2+]C2)c1)N1CCCC1 ZINC000333586718 205470014 /nfs/dbraw/zinc/47/00/14/205470014.db2.gz USLVMWKUPXCOHK-LLVKDONJSA-N 1 0 296.396 0.640 10 0 CCAERO CC[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CCc3nccn3C2)C1 ZINC000334128651 206037993 /nfs/dbraw/zinc/03/79/93/206037993.db2.gz RPGXSIDGZKPJPI-CHWSQXEVSA-N 1 0 291.399 0.839 10 0 CCAERO C[C@]1(C(=O)N2CCO[C@@H]3CCCC[C@H]32)C[NH2+]CCO1 ZINC000637933629 374485668 /nfs/dbraw/zinc/48/56/68/374485668.db2.gz OOYTZYIXQWKBKN-YRGRVCCFSA-N 1 0 268.357 0.535 10 0 CCAERO [NH3+]C[C@]1(C(=O)NC[C@@H]2CCCC[C@H]2O)CCCOC1 ZINC000638009568 374554699 /nfs/dbraw/zinc/55/46/99/374554699.db2.gz FHXGXKAAABJOMR-OUCADQQQSA-N 1 0 270.373 0.409 10 0 CCAERO C[C@@H](COCc1ccccc1)NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638022512 374567087 /nfs/dbraw/zinc/56/70/87/374567087.db2.gz SCAJHBPOACIHBA-FPMFFAJLSA-N 1 0 278.352 0.824 10 0 CCAERO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCN3CCCC[C@H]3C2)C1 ZINC000638087318 374647341 /nfs/dbraw/zinc/64/73/41/374647341.db2.gz QRRIXUYGMSEJIA-YDHLFZDLSA-N 1 0 281.400 0.450 10 0 CCAERO CC(=O)N[C@@H](CC(C)C)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000638167602 374748844 /nfs/dbraw/zinc/74/88/44/374748844.db2.gz OCPRURPAUVGTFY-CRWXNKLISA-N 1 0 281.400 0.733 10 0 CCAERO CC[C@H](NC(C)=O)C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000638193123 374771984 /nfs/dbraw/zinc/77/19/84/374771984.db2.gz OSLCLVNTGXOPIM-NEPJUHHUSA-N 1 0 255.362 0.502 10 0 CCAERO COC[C@@]1(C(=O)NCCn2cc(C)cn2)CCCC[NH2+]1 ZINC000638279034 374883828 /nfs/dbraw/zinc/88/38/28/374883828.db2.gz XGMQMJHKWZIEAZ-CQSZACIVSA-N 1 0 280.372 0.466 10 0 CCAERO CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000638395837 374990438 /nfs/dbraw/zinc/99/04/38/374990438.db2.gz DYTNFDBNSNZZOF-SFYZADRCSA-N 1 0 267.251 0.003 10 0 CCAERO CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000638399130 374995747 /nfs/dbraw/zinc/99/57/47/374995747.db2.gz UGXWMMCVZXEWGG-RKDXNWHRSA-N 1 0 283.294 0.543 10 0 CCAERO CN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000638698009 375305948 /nfs/dbraw/zinc/30/59/48/375305948.db2.gz KXHGUOKRXYZSNV-ZNSHCXBVSA-N 1 0 253.346 0.226 10 0 CCAERO O=S(=O)(Cc1ccccc1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000568733615 291617115 /nfs/dbraw/zinc/61/71/15/291617115.db2.gz XTXDJSOPFRTFKE-QWHCGFSZSA-N 1 0 282.365 0.189 10 0 CCAERO C[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638787729 375356417 /nfs/dbraw/zinc/35/64/17/375356417.db2.gz LJABOUBHCFXMHW-IVZWLZJFSA-N 1 0 265.313 0.265 10 0 CCAERO C[C@]1(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)CCC[NH2+]1 ZINC000638797703 375371055 /nfs/dbraw/zinc/37/10/55/375371055.db2.gz VJLCWYBUWGKHQO-BXUZGUMPSA-N 1 0 265.357 0.398 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000638853826 375409162 /nfs/dbraw/zinc/40/91/62/375409162.db2.gz PFVWZAHSKBLQEL-VHSXEESVSA-N 1 0 262.375 0.005 10 0 CCAERO CCc1cc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)n(C)n1 ZINC000638902033 375439805 /nfs/dbraw/zinc/43/98/05/375439805.db2.gz NSXWLXCOPWLSET-NXEZZACHSA-N 1 0 250.346 0.649 10 0 CCAERO COC(=O)c1ccc(CNC(=O)[C@H]2CC[NH2+]C2)cc1 ZINC000062116085 284536299 /nfs/dbraw/zinc/53/62/99/284536299.db2.gz OXEAXTAIURZESI-LBPRGKRZSA-N 1 0 262.309 0.699 10 0 CCAERO COc1cc(CN2CC[C@H]3OCC[NH2+][C@@H]3C2)on1 ZINC000641799763 377469954 /nfs/dbraw/zinc/46/99/54/377469954.db2.gz QXGUVZMZPNNRMH-GHMZBOCLSA-N 1 0 253.302 0.246 10 0 CCAERO COc1cc(CN2C[C@H](OC)C[C@]2(C)C[NH3+])on1 ZINC000641821634 377491893 /nfs/dbraw/zinc/49/18/93/377491893.db2.gz NDPVZYHBBSXCAB-ZYHUDNBSSA-N 1 0 255.318 0.621 10 0 CCAERO C[C@@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CO3)C[C@@H]1[NH3+] ZINC000514672033 249097922 /nfs/dbraw/zinc/09/79/22/249097922.db2.gz IQCRPJTXAMOGRF-SCZZXKLOSA-N 1 0 275.308 0.437 10 0 CCAERO COC[C@@H](NC(=O)NC[C@@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000119786481 284666125 /nfs/dbraw/zinc/66/61/25/284666125.db2.gz UUHGFARXVAUSKI-ZIAGYGMSSA-N 1 0 299.415 0.557 10 0 CCAERO Cc1csc2c1ncnc2NC[C@@H]1C[NH2+]C[C@H]1O ZINC000643040666 377702477 /nfs/dbraw/zinc/70/24/77/377702477.db2.gz LRSBPFGAGGZIHI-DTWKUNHWSA-N 1 0 264.354 0.414 10 0 CCAERO Cc1cc2ccccc2nc1NC[C@H]1C[NH2+]C[C@@H]1O ZINC000643040267 377703004 /nfs/dbraw/zinc/70/30/04/377703004.db2.gz OVISTTUKEWSQIB-OCCSQVGLSA-N 1 0 257.337 0.957 10 0 CCAERO CCCc1csc(CNC[C@@H]2C[NH2+]C[C@H]2O)n1 ZINC000263139064 535451103 /nfs/dbraw/zinc/45/11/03/535451103.db2.gz CGECHIFCWOBBGV-GXSJLCMTSA-N 1 0 255.387 0.766 10 0 CCAERO CN1CCO[C@@H](C[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000131784134 284810352 /nfs/dbraw/zinc/81/03/52/284810352.db2.gz SUUAFUFJRSTYTD-BPCQOVAHSA-N 1 0 299.415 0.962 10 0 CCAERO Cn1cccc1S(=O)(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000334920522 207292681 /nfs/dbraw/zinc/29/26/81/207292681.db2.gz XGCDHYYTVMFUTK-CYBMUJFWSA-N 1 0 283.397 0.741 10 0 CCAERO O=C1CNC(=O)N1CC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116293761 296338850 /nfs/dbraw/zinc/33/88/50/296338850.db2.gz MTTGZHAFHZEION-SNVBAGLBSA-N 1 0 263.297 0.968 10 0 CCAERO CCN1CCN(C(=O)[C@H]2CCC[NH2+]C2)C(C)(C)C1=O ZINC000335018083 207477701 /nfs/dbraw/zinc/47/77/01/207477701.db2.gz BFKSCZIKOFKJQC-NSHDSACASA-N 1 0 267.373 0.455 10 0 CCAERO CC1(C)CN(C(=O)C(=O)N2CC[C@H](C3CC3)C2)CC[C@H]1[NH3+] ZINC000335050197 207543187 /nfs/dbraw/zinc/54/31/87/207543187.db2.gz AAOFVPLJIMRVIE-QWHCGFSZSA-N 1 0 293.411 0.831 10 0 CCAERO C[C@@H]1COC[C@@H](C)[NH+]1C[C@@H](O)COC1CCOCC1 ZINC000246303341 285014205 /nfs/dbraw/zinc/01/42/05/285014205.db2.gz VMROGLLQYBZFCW-JHJVBQTASA-N 1 0 273.373 0.652 10 0 CCAERO CC(=O)N1CSC[C@@H]1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247525467 285053794 /nfs/dbraw/zinc/05/37/94/285053794.db2.gz ZJPMGWLUWNXLAD-KGYLQXTDSA-N 1 0 299.440 0.753 10 0 CCAERO C[C@@H]1COCC[C@H]1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000248839212 285084163 /nfs/dbraw/zinc/08/41/63/285084163.db2.gz PUOFHHWGBSLSHN-FRRDWIJNSA-N 1 0 270.373 0.448 10 0 CCAERO C[C@H]1CN(C(=O)CN2CCCCC2=O)CC[C@H]1[NH3+] ZINC000335342073 208230410 /nfs/dbraw/zinc/23/04/10/208230410.db2.gz YXQIKODGLDVZIQ-WDEREUQCSA-N 1 0 253.346 0.195 10 0 CCAERO C[NH2+][C@H]1CCN(S(=O)(=O)[C@H](C)C(F)(F)F)C1 ZINC000335347668 208246702 /nfs/dbraw/zinc/24/67/02/208246702.db2.gz UARSFTHDQKTIQC-RQJHMYQMSA-N 1 0 260.281 0.561 10 0 CCAERO C[C@@H]1OCC[C@H]1S(=O)(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000248937377 285090732 /nfs/dbraw/zinc/09/07/32/285090732.db2.gz NJRUMGIWLFJLAZ-HBNTYKKESA-N 1 0 262.375 0.130 10 0 CCAERO C[C@H](O)C[N@@H+]1CCN(CCOCC(F)F)C[C@@H]1C ZINC000249382567 285112700 /nfs/dbraw/zinc/11/27/00/285112700.db2.gz QQPXIZXMRIHGBN-QWRGUYRKSA-N 1 0 266.332 0.655 10 0 CCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CC(=O)NCc1ccccc1 ZINC000392931048 285206464 /nfs/dbraw/zinc/20/64/64/285206464.db2.gz OXBCMRORRZGERE-DGCLKSJQSA-N 1 0 275.352 0.560 10 0 CCAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000392950196 285207198 /nfs/dbraw/zinc/20/71/98/285207198.db2.gz UMFOWOQGZYSRMD-OUAUKWLOSA-N 1 0 269.389 0.936 10 0 CCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000392961535 285207308 /nfs/dbraw/zinc/20/73/08/285207308.db2.gz PHZBHKNLPUDVEZ-GXSJLCMTSA-N 1 0 265.361 0.790 10 0 CCAERO C[NH2+]CC(=O)Nc1ccncc1I ZINC000281454536 195246098 /nfs/dbraw/zinc/24/60/98/195246098.db2.gz LWKKIIKZPTYJAZ-UHFFFAOYSA-N 1 0 291.092 0.844 10 0 CCAERO C[C@@H]1CCC[C@@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)[C@H]1C ZINC000333928393 296435946 /nfs/dbraw/zinc/43/59/46/296435946.db2.gz XGLFKROGEHIRBG-FHUSYTEZSA-N 1 0 269.389 0.785 10 0 CCAERO Cc1cc(N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)n2ncnc2n1 ZINC000284450792 388777236 /nfs/dbraw/zinc/77/72/36/388777236.db2.gz CTMWTTZKOPUONF-NWDGAFQWSA-N 1 0 288.355 0.342 10 0 CCAERO C[N@@H+]1CCO[C@H]2CCN(c3ncnc4nc[nH]c43)C[C@@H]21 ZINC000284409552 388777639 /nfs/dbraw/zinc/77/76/39/388777639.db2.gz BMCQROWFHBONHT-UWVGGRQHSA-N 1 0 274.328 0.262 10 0 CCAERO Cc1nc2ccc(N3CC[C@@H]4OCC[N@@H+](C)[C@@H]4C3)nn2n1 ZINC000284958289 388786301 /nfs/dbraw/zinc/78/63/01/388786301.db2.gz KAIZTSBWEAIOGM-NEPJUHHUSA-N 1 0 288.355 0.342 10 0 CCAERO CCOC(=O)N1CC[C@@H](NC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000185918532 388817628 /nfs/dbraw/zinc/81/76/28/388817628.db2.gz PRWREMQKHNBMKJ-VXGBXAGGSA-N 1 0 298.387 0.563 10 0 CCAERO Cc1cc(CC(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)[nH]n1 ZINC000286013415 388825994 /nfs/dbraw/zinc/82/59/94/388825994.db2.gz ZQDKUWPFUADWTH-STQMWFEESA-N 1 0 278.356 0.192 10 0 CCAERO 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294.355 0.662 10 0 CCAERO CCc1nnc(N2CCO[C@@H](C[NH+](C)C)C2)nc1CC ZINC000302749147 389077438 /nfs/dbraw/zinc/07/74/38/389077438.db2.gz TYOMTHFARMXBRB-NSHDSACASA-N 1 0 279.388 0.763 10 0 CCAERO CCOCCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105108725 389085790 /nfs/dbraw/zinc/08/57/90/389085790.db2.gz YNCFUEQATQFHOW-LBPRGKRZSA-N 1 0 255.362 0.903 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCn2ccnc2)C1 ZINC000194132320 389088737 /nfs/dbraw/zinc/08/87/37/389088737.db2.gz YJZLAVNCIVESHX-GFCCVEGCSA-N 1 0 265.361 0.667 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCN2CCOCC2)C1 ZINC000194136947 389089085 /nfs/dbraw/zinc/08/90/85/389089085.db2.gz MVIYHUBDUWMFGG-ZDUSSCGKSA-N 1 0 284.404 0.102 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)NCC(=O)N2CCCCC2)C1 ZINC000194147316 389089178 /nfs/dbraw/zinc/08/91/78/389089178.db2.gz MBEVZSIILSLBRM-ZDUSSCGKSA-N 1 0 296.415 0.782 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCOCCOC)C1 ZINC000194154364 389089792 /nfs/dbraw/zinc/08/97/92/389089792.db2.gz GVMIRKGDYPPMEY-LBPRGKRZSA-N 1 0 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CCAERO CN1CCO[C@H](C[N@H+](C)C[C@H]2CCC[C@H](O)C2)C1 ZINC000659901015 413953396 /nfs/dbraw/zinc/95/33/96/413953396.db2.gz RIHQZDYSSRQLDW-IHRRRGAJSA-N 1 0 256.390 0.800 10 0 CCAERO Cc1ccc(NC(=O)C(=O)N2CCC[NH2+]CC2)nc1 ZINC000037325777 173126837 /nfs/dbraw/zinc/12/68/37/173126837.db2.gz DOMIKWFTBGDUSD-UHFFFAOYSA-N 1 0 262.313 0.150 10 0 CCAERO CCN(CC(=O)N[C@H](C)COC)C1CC[NH2+]CC1 ZINC000037538601 173259158 /nfs/dbraw/zinc/25/91/58/173259158.db2.gz ZTDYEKXJVCTVIW-LLVKDONJSA-N 1 0 257.378 0.211 10 0 CCAERO C[C@@H]([NH3+])c1ccc(O[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 ZINC000037697430 173622387 /nfs/dbraw/zinc/62/23/87/173622387.db2.gz IGNTZKJDDRCPNV-ZHAHWJHGSA-N 1 0 271.338 0.243 10 0 CCAERO CCOc1cccc(CC[NH3+])c1O[C@H](C)C(N)=O ZINC000037721933 173640373 /nfs/dbraw/zinc/64/03/73/173640373.db2.gz LMWFTARCDMLKNQ-SECBINFHSA-N 1 0 252.314 0.839 10 0 CCAERO CC[C@H]([NH3+])Cc1ccc(OCC(N)=O)c(OC)c1 ZINC000037727300 173646333 /nfs/dbraw/zinc/64/63/33/173646333.db2.gz APKRNHKHTLNUTH-JTQLQIEISA-N 1 0 252.314 0.839 10 0 CCAERO CCN(CC)C(=O)CC[NH2+]C1CCN(C(N)=O)CC1 ZINC000037752833 173676897 /nfs/dbraw/zinc/67/68/97/173676897.db2.gz ONXUOFCKUZCOOK-UHFFFAOYSA-N 1 0 270.377 0.378 10 0 CCAERO CC[C@H](CC(F)F)C[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000660520101 414375601 /nfs/dbraw/zinc/37/56/01/414375601.db2.gz DBKIMPFFGHLDCN-SKDRFNHKSA-N 1 0 264.316 0.980 10 0 CCAERO CCC[C@](C)([NH3+])C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000037805264 173745853 /nfs/dbraw/zinc/74/58/53/173745853.db2.gz ZINNQOPJLGVOND-AWEZNQCLSA-N 1 0 267.373 0.585 10 0 CCAERO CC(C)C[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000037806277 173748498 /nfs/dbraw/zinc/74/84/98/173748498.db2.gz ZJVHCKKFXFBORL-VXGBXAGGSA-N 1 0 267.373 0.629 10 0 CCAERO CCCCCCN(CCO)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000037821425 173774522 /nfs/dbraw/zinc/77/45/22/173774522.db2.gz SUBUEWIBHIKJNH-VXGBXAGGSA-N 1 0 258.362 0.110 10 0 CCAERO COC(=O)[C@@H](C)CN(C)C(=O)C1CCC([NH3+])CC1 ZINC000037823559 173778133 /nfs/dbraw/zinc/77/81/33/173778133.db2.gz UDYURBQJFLOZLQ-WHXUTIOJSA-N 1 0 256.346 0.771 10 0 CCAERO O=C(NC1[C@H]2C[NH2+]C[C@@H]12)[C@@H]1OCCc2ccccc21 ZINC000037927092 173866384 /nfs/dbraw/zinc/86/63/84/173866384.db2.gz OKKISGHWWAZNHV-QNMSZWNNSA-N 1 0 258.321 0.634 10 0 CCAERO C[N@@H+]1CC[C@@H](CNc2cc(N)cc(S(N)(=O)=O)c2)C1 ZINC000037934312 173875633 /nfs/dbraw/zinc/87/56/33/173875633.db2.gz SGSXSGUKVBECIB-VIFPVBQESA-N 1 0 284.385 0.280 10 0 CCAERO CC(C)COC[C@H](O)C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000037982347 173942177 /nfs/dbraw/zinc/94/21/77/173942177.db2.gz CODIGHQDQJSAMN-VXGBXAGGSA-N 1 0 279.402 0.044 10 0 CCAERO CC(C)COC[C@@H](O)C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000037982346 173942325 /nfs/dbraw/zinc/94/23/25/173942325.db2.gz CODIGHQDQJSAMN-RYUDHWBXSA-N 1 0 279.402 0.044 10 0 CCAERO CCN(CCC[NH2+][C@H](C)c1cc[nH]n1)S(C)(=O)=O ZINC000038035233 174033133 /nfs/dbraw/zinc/03/31/33/174033133.db2.gz JKBMNHAMISLXFK-SNVBAGLBSA-N 1 0 274.390 0.732 10 0 CCAERO C[C@H](CN[C@H]1CC(=O)N(C2CC2)C1=O)C[NH+]1CCCCC1 ZINC000038042095 174044493 /nfs/dbraw/zinc/04/44/93/174044493.db2.gz OSEIDWRYLSLXIH-OCCSQVGLSA-N 1 0 293.411 0.988 10 0 CCAERO CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000038083813 174093380 /nfs/dbraw/zinc/09/33/80/174093380.db2.gz PZQGYKDYNUIVRG-NXEZZACHSA-N 1 0 262.375 0.055 10 0 CCAERO CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000038083811 174093713 /nfs/dbraw/zinc/09/37/13/174093713.db2.gz PZQGYKDYNUIVRG-VHSXEESVSA-N 1 0 262.375 0.055 10 0 CCAERO CNS(=O)(=O)c1ccc(NC[C@H](C)[NH+](C)C)cc1 ZINC000038089092 174102304 /nfs/dbraw/zinc/10/23/04/174102304.db2.gz PWFNGDQHIUOCGM-JTQLQIEISA-N 1 0 271.386 0.957 10 0 CCAERO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]C1CCC(C(N)=O)CC1 ZINC000038091911 174105417 /nfs/dbraw/zinc/10/54/17/174105417.db2.gz IXFZFEXSKZIWBA-QKEWWQLBSA-N 1 0 269.389 0.923 10 0 CCAERO CCCN(CC(=O)N(C)C)C(=O)C[NH2+][C@H](C)CC ZINC000038101157 174116046 /nfs/dbraw/zinc/11/60/46/174116046.db2.gz GKVNXUZPUUCAPE-LLVKDONJSA-N 1 0 257.378 0.701 10 0 CCAERO CCOC(=O)CN(C(=O)[C@](C)([NH3+])C1CC1)C(C)C ZINC000038101235 174116800 /nfs/dbraw/zinc/11/68/00/174116800.db2.gz UGSBBKRKKZPOBK-CYBMUJFWSA-N 1 0 256.346 0.914 10 0 CCAERO C[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)C(=O)N1CCCCC1 ZINC000040464337 174274148 /nfs/dbraw/zinc/27/41/48/174274148.db2.gz CQBAQQDFYXIQRN-GHMZBOCLSA-N 1 0 269.389 0.877 10 0 CCAERO COc1ccc([C@H](C)[NH2+]CC(=O)NC(N)=O)cc1OC ZINC000040491161 174292618 /nfs/dbraw/zinc/29/26/18/174292618.db2.gz UJRQSLVNAZHMSH-QMMMGPOBSA-N 1 0 281.312 0.549 10 0 CCAERO CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000662854242 414844074 /nfs/dbraw/zinc/84/40/74/414844074.db2.gz ZQKKBGPECCASBZ-IVZWLZJFSA-N 1 0 293.289 0.121 10 0 CCAERO CN(C(=O)c1cnns1)[C@@H](C[NH3+])C(F)(F)F ZINC000662980304 414932462 /nfs/dbraw/zinc/93/24/62/414932462.db2.gz PENBWIYIINBWFQ-YFKPBYRVSA-N 1 0 254.237 0.500 10 0 CCAERO O=C(NCc1cnccc1C(F)(F)F)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000663002851 414943703 /nfs/dbraw/zinc/94/37/03/414943703.db2.gz UNTUROCPHZHPAP-PSASIEDQSA-N 1 0 289.257 0.439 10 0 CCAERO CCc1nn(C)cc1C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662985169 414935915 /nfs/dbraw/zinc/93/59/15/414935915.db2.gz SHWQUSNBTSYVBY-VIFPVBQESA-N 1 0 278.278 0.944 10 0 CCAERO CCC(CC)(C[NH3+])C(=O)NC[C@H]1CC(=O)N(C)C1 ZINC000662886334 414870040 /nfs/dbraw/zinc/87/00/40/414870040.db2.gz DQXYCFZHEALLFY-SNVBAGLBSA-N 1 0 255.362 0.346 10 0 CCAERO CNC(=O)[C@@H]1CCCN1c1ccc(F)cc1C[NH3+] ZINC000042395857 174708512 /nfs/dbraw/zinc/70/85/12/174708512.db2.gz GBRDVRAXXBCEFO-LBPRGKRZSA-N 1 0 251.305 0.999 10 0 CCAERO C[C@@H](NS(=O)(=O)CCCC[NH3+])c1ccccn1 ZINC000042525203 174774827 /nfs/dbraw/zinc/77/48/27/174774827.db2.gz HIGWFVWIVJIRQI-SNVBAGLBSA-N 1 0 257.359 0.801 10 0 CCAERO CN(C[C@H]1CCCCO1)S(=O)(=O)CCCC[NH3+] ZINC000042533557 174781895 /nfs/dbraw/zinc/78/18/95/174781895.db2.gz SIEPCFBTEASHFW-LLVKDONJSA-N 1 0 264.391 0.556 10 0 CCAERO O=S(=O)(C[C@H]1CCC[NH2+]C1)NC[C@@H]1CCCCO1 ZINC000042825894 174888507 /nfs/dbraw/zinc/88/85/07/174888507.db2.gz YLTIESUUXBXCMQ-RYUDHWBXSA-N 1 0 276.402 0.475 10 0 CCAERO CCCc1nccnc1N1CCCO[C@H](C[NH3+])C1 ZINC000663275235 415034903 /nfs/dbraw/zinc/03/49/03/415034903.db2.gz SPYRPYDAIGVANL-LLVKDONJSA-N 1 0 250.346 0.983 10 0 CCAERO Nc1cc(F)ccc1SCC(=O)N1CC[NH2+]CC1 ZINC000044419711 175173544 /nfs/dbraw/zinc/17/35/44/175173544.db2.gz WNSXCEBKPBYRLN-UHFFFAOYSA-N 1 0 269.345 0.932 10 0 CCAERO Cn1nc(C[NH2+]CCOCCO)c(-c2ccccc2)n1 ZINC000045944789 175387292 /nfs/dbraw/zinc/38/72/92/175387292.db2.gz JJSLDQOUGQWKAX-UHFFFAOYSA-N 1 0 276.340 0.581 10 0 CCAERO COCCc1noc(-c2ccnc(N3CC[C@H]([NH3+])C3)c2)n1 ZINC000070458171 175941187 /nfs/dbraw/zinc/94/11/87/175941187.db2.gz NJVWJWGDCLLUAV-NSHDSACASA-N 1 0 289.339 0.858 10 0 CCAERO CN(Cc1ccccc1)S(=O)(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000071310335 176117247 /nfs/dbraw/zinc/11/72/47/176117247.db2.gz YOTXFNAIDILQLF-CYBMUJFWSA-N 1 0 283.397 0.657 10 0 CCAERO Nc1ccc(I)cc1[C@@H]([NH3+])CO ZINC000072199565 176340739 /nfs/dbraw/zinc/34/07/39/176340739.db2.gz VSTIINZQGBRNMR-QMMMGPOBSA-N 1 0 278.093 0.866 10 0 CCAERO CC(C)Cc1cc(CNC[C@]2(O)CC[NH2+]C2)on1 ZINC000072410130 176398519 /nfs/dbraw/zinc/39/85/19/176398519.db2.gz KBYNQFOCCXISET-ZDUSSCGKSA-N 1 0 253.346 0.687 10 0 CCAERO [NH3+]CCC(=O)OCCc1ccc2c(c1)NC(=O)CO2 ZINC000076366207 177004797 /nfs/dbraw/zinc/00/47/97/177004797.db2.gz CFBILVSETSGZDL-UHFFFAOYSA-N 1 0 264.281 0.452 10 0 CCAERO CC[C@H](CCC[NH3+])C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000076675220 177055599 /nfs/dbraw/zinc/05/55/99/177055599.db2.gz HNWJZYOPXRSZBR-ZJUUUORDSA-N 1 0 262.375 0.055 10 0 CCAERO C[NH2+]CCC(=O)OCc1ccc2oc(=O)[nH]c2c1 ZINC000077430529 177266344 /nfs/dbraw/zinc/26/63/44/177266344.db2.gz SDIWAZQLLCNHAX-UHFFFAOYSA-N 1 0 250.254 0.774 10 0 CCAERO CCn1cnc(S(=O)(=O)N(C)[C@H]2CCC[NH2+]CC2)c1 ZINC000226465036 269747243 /nfs/dbraw/zinc/74/72/43/269747243.db2.gz JYYFRQIORZNIEI-NSHDSACASA-N 1 0 286.401 0.666 10 0 CCAERO C[C@@H]([NH3+])c1cccnc1-n1cc(S(C)(=O)=O)cn1 ZINC000725242149 545873345 /nfs/dbraw/zinc/87/33/45/545873345.db2.gz JCUCBQYOYQDNCG-MRVPVSSYSA-N 1 0 266.326 0.691 10 0 CCAERO CS(=O)(=O)c1cnn(CC2(CC(N)=[NH2+])CC2)c1 ZINC000725251389 545874982 /nfs/dbraw/zinc/87/49/82/545874982.db2.gz GFXBDGVVPQSUJZ-UHFFFAOYSA-N 1 0 256.331 0.393 10 0 CCAERO C[C@@H]1C[C@H](n2cc(S(C)(=O)=O)cn2)C[NH2+][C@@H]1C ZINC000725251644 545877401 /nfs/dbraw/zinc/87/74/01/545877401.db2.gz CZLCHNDMXHVUMM-BBBLOLIVSA-N 1 0 257.359 0.846 10 0 CCAERO CS(=O)(=O)c1cnn(C[C@@H]([NH3+])c2ccccc2)c1 ZINC000725253131 545878225 /nfs/dbraw/zinc/87/82/25/545878225.db2.gz QQDUVAGXRLRMMA-GFCCVEGCSA-N 1 0 265.338 0.987 10 0 CCAERO CC[C@H](C)[C@@H](Cn1cc(S(C)(=O)=O)cn1)[NH2+]C ZINC000725252894 545878606 /nfs/dbraw/zinc/87/86/06/545878606.db2.gz PKLQMXPYKWTLME-GXSJLCMTSA-N 1 0 259.375 0.921 10 0 CCAERO CC[NH2+][C@@H]1CC[C@@H](n2cc(S(C)(=O)=O)cn2)C1 ZINC000725252629 545878450 /nfs/dbraw/zinc/87/84/50/545878450.db2.gz OMHDJJDCDTVHSC-NXEZZACHSA-N 1 0 257.359 0.990 10 0 CCAERO FC1(F)CN[C@H](CNc2ccnn2C2C[NH2+]C2)C1 ZINC000725260474 545882158 /nfs/dbraw/zinc/88/21/58/545882158.db2.gz TYGFBONBRAJLHH-QMMMGPOBSA-N 1 0 257.288 0.437 10 0 CCAERO NC(=S)C1(C(=O)Nc2ccnn2C2C[NH2+]C2)CC1 ZINC000725258459 545882279 /nfs/dbraw/zinc/88/22/79/545882279.db2.gz PUIGIPARAOAXGR-UHFFFAOYSA-N 1 0 265.342 0.032 10 0 CCAERO COCCNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])CC1 ZINC000725262769 545882514 /nfs/dbraw/zinc/88/25/14/545882514.db2.gz OXZVVLLZLPDECJ-BDAKNGLRSA-N 1 0 283.294 0.944 10 0 CCAERO N[C@H](CCNc1ccnn1C1C[NH2+]C1)C(F)(F)F ZINC000725258315 545882522 /nfs/dbraw/zinc/88/25/22/545882522.db2.gz ODZORAAXFVAWJB-MRVPVSSYSA-N 1 0 263.267 0.719 10 0 CCAERO [NH3+][C@@H]1CCOC12CCN(S(=O)(=O)C1CC1)CC2 ZINC000725269058 545886190 /nfs/dbraw/zinc/88/61/90/545886190.db2.gz CHCBPRIFADWNKF-SNVBAGLBSA-N 1 0 260.359 0.061 10 0 CCAERO CC[C@H](C)[NH2+]CC[C@H](CO)[C@@H]1CCS(=O)(=O)C1 ZINC000725266744 545886344 /nfs/dbraw/zinc/88/63/44/545886344.db2.gz BAMDULKRFCSYCC-QJPTWQEYSA-N 1 0 263.403 0.808 10 0 CCAERO OCc1cn([C@H]2CCOC3(CC[NH2+]CC3)C2)nn1 ZINC000725272434 545887876 /nfs/dbraw/zinc/88/78/76/545887876.db2.gz MMPFOZFDPVMEIU-NSHDSACASA-N 1 0 252.318 0.244 10 0 CCAERO O=C(CCCCN1CCOCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171810616 335081157 /nfs/dbraw/zinc/08/11/57/335081157.db2.gz IRDRTXLFRIKWRJ-HNNXBMFYSA-N 1 0 295.427 0.796 10 0 CCAERO C[C@@H](O)CCNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000085990046 544496027 /nfs/dbraw/zinc/49/60/27/544496027.db2.gz HEOXXEWDNFRACH-APPZFPTMSA-N 1 0 254.252 0.416 10 0 CCAERO CC(=O)N[C@@H]1CCCN(C(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000079517617 544474146 /nfs/dbraw/zinc/47/41/46/544474146.db2.gz ULIGVAPBRVCOLM-DGCLKSJQSA-N 1 0 253.346 0.256 10 0 CCAERO C[C@@H](C[C@@](C)([NH3+])C(N)=O)n1cc(Br)cn1 ZINC000082800541 544486484 /nfs/dbraw/zinc/48/64/84/544486484.db2.gz BDUCMSAAJAYTCB-IMTBSYHQSA-N 1 0 275.150 0.799 10 0 CCAERO CN(CC(=O)NC(C)(C)C)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089455561 544513285 /nfs/dbraw/zinc/51/32/85/544513285.db2.gz UXOGKABFURGTEM-WDEREUQCSA-N 1 0 269.389 0.735 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000089452346 544513642 /nfs/dbraw/zinc/51/36/42/544513642.db2.gz TXOXVVFVWXXJKZ-JQWIXIFHSA-N 1 0 286.339 0.976 10 0 CCAERO CN(Cc1nnc2n1CCC2)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089457316 544515043 /nfs/dbraw/zinc/51/50/43/544515043.db2.gz GDSJCINHFMCDGM-MNOVXSKESA-N 1 0 277.372 0.558 10 0 CCAERO COC1(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)CCOCC1 ZINC000126554855 544597519 /nfs/dbraw/zinc/59/75/19/544597519.db2.gz PXBSCTVIFZEVHD-GFCCVEGCSA-N 1 0 285.388 0.528 10 0 CCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cnn(C)c1N ZINC000134412356 544629487 /nfs/dbraw/zinc/62/94/87/544629487.db2.gz ZNHYPVCIDHEUKM-SNVBAGLBSA-N 1 0 267.377 0.708 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000136375684 544639410 /nfs/dbraw/zinc/63/94/10/544639410.db2.gz OBACBFAMZHAIKC-ZIAGYGMSSA-N 1 0 283.416 0.683 10 0 CCAERO CCCC[N@H+](CCCO)C[C@H](O)CN1CCCC1=O ZINC000182144397 544759762 /nfs/dbraw/zinc/75/97/62/544759762.db2.gz KGLUGWQRMCZZRF-ZDUSSCGKSA-N 1 0 272.389 0.454 10 0 CCAERO C[C@H](C[NH2+][C@@H](C)c1nccn1C)N1CCOCC1 ZINC000182278366 544762030 /nfs/dbraw/zinc/76/20/30/544762030.db2.gz XXDUVPCMYDPIMW-NEPJUHHUSA-N 1 0 252.362 0.791 10 0 CCAERO CCc1nn(C)cc1CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000183399858 544767131 /nfs/dbraw/zinc/76/71/31/544767131.db2.gz FMPCMQGPGGPXDI-ZDUSSCGKSA-N 1 0 266.389 0.745 10 0 CCAERO COC[C@@H]([NH2+]C[C@H](O)CN1CCCC1=O)c1ccco1 ZINC000184590004 544772969 /nfs/dbraw/zinc/77/29/69/544772969.db2.gz CXTWHPSFBOORSG-NWDGAFQWSA-N 1 0 282.340 0.540 10 0 CCAERO C[C@@H](NC(=O)c1ccco1)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000175410096 544737087 /nfs/dbraw/zinc/73/70/87/544737087.db2.gz KYYFZRDCLXHFNU-SNVBAGLBSA-N 1 0 279.340 0.608 10 0 CCAERO Cc1noc2ncnc(N3CC[N@@H+](C[C@@H](C)O)[C@H](C)C3)c12 ZINC000193394235 544806746 /nfs/dbraw/zinc/80/67/46/544806746.db2.gz YOUUAXZTFLIHDD-NXEZZACHSA-N 1 0 291.355 0.818 10 0 CCAERO CC[C@H](CO)NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000245646560 544906022 /nfs/dbraw/zinc/90/60/22/544906022.db2.gz FWJRFJYRLPLKNR-UTUOFQBUSA-N 1 0 257.378 0.785 10 0 CCAERO CCOCCN1CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]1C ZINC000247171052 544911363 /nfs/dbraw/zinc/91/13/63/544911363.db2.gz YMVVQJXRULITOZ-KBPBESRZSA-N 1 0 285.432 0.896 10 0 CCAERO CCOCCN1CCN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]1C ZINC000247171062 544911470 /nfs/dbraw/zinc/91/14/70/544911470.db2.gz YMVVQJXRULITOZ-UONOGXRCSA-N 1 0 285.432 0.896 10 0 CCAERO CCC(=O)Nc1cccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262054222 544937551 /nfs/dbraw/zinc/93/75/51/544937551.db2.gz AIJKUCLVKGQJAO-AAEUAGOBSA-N 1 0 291.351 0.345 10 0 CCAERO COc1cc(C)c(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1OC ZINC000262065585 544938210 /nfs/dbraw/zinc/93/82/10/544938210.db2.gz BFWVGZQYOQCZQM-JQWIXIFHSA-N 1 0 294.351 0.322 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cc2ccccc2[nH]c1=O ZINC000262103745 544939390 /nfs/dbraw/zinc/93/93/90/544939390.db2.gz DXGIJTXAOGZOHT-MFKMUULPSA-N 1 0 287.319 0.251 10 0 CCAERO Cc1ccc(-c2n[nH]cc2CNC[C@H]2C[NH2+]C[C@H]2O)o1 ZINC000262130935 544940864 /nfs/dbraw/zinc/94/08/64/544940864.db2.gz NYJCTZBDTGTILG-CMPLNLGQSA-N 1 0 276.340 0.648 10 0 CCAERO Cc1ccc(C(C)(C)C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262133108 544942116 /nfs/dbraw/zinc/94/21/16/544942116.db2.gz GQESURVCNAGZKX-GXTWGEPZSA-N 1 0 276.380 0.969 10 0 CCAERO CCN1CCO[C@H](C[NH2+][C@H](C)c2ccnn2C)C1 ZINC000300121941 544979080 /nfs/dbraw/zinc/97/90/80/544979080.db2.gz IUVBXKJTEFWAKX-VXGBXAGGSA-N 1 0 252.362 0.791 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NC[C@H]1CCc2nccn2C1 ZINC000333842522 545043705 /nfs/dbraw/zinc/04/37/05/545043705.db2.gz ONRCNYXPUCODSZ-YNEHKIRRSA-N 1 0 291.399 0.885 10 0 CCAERO C[C@H](NC(=O)N1CC[NH2+]C[C@@H]1C)[C@@H]1CCCCO1 ZINC000333862888 545043984 /nfs/dbraw/zinc/04/39/84/545043984.db2.gz ZTWVGYGNUCFMFT-SRVKXCTJSA-N 1 0 255.362 0.947 10 0 CCAERO CN([C@H]1C[NH2+]C[C@@H]1O)[C@@H]1CCc2ccccc2NC1=O ZINC000333890328 545044039 /nfs/dbraw/zinc/04/40/39/545044039.db2.gz WXXOLBHQNNXCTM-RDBSUJKOSA-N 1 0 275.352 0.204 10 0 CCAERO C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]CCCF ZINC000309517839 545009678 /nfs/dbraw/zinc/00/96/78/545009678.db2.gz ZDQJNLKSDIOZFZ-NXEZZACHSA-N 1 0 252.355 0.606 10 0 CCAERO C[C@H]1OCC[C@@H]1NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000333568990 545040425 /nfs/dbraw/zinc/04/04/25/545040425.db2.gz MESDWQOWSISWBA-MGAJPHDKSA-N 1 0 293.371 0.034 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]CCO1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000333618791 545040815 /nfs/dbraw/zinc/04/08/15/545040815.db2.gz ZCGFUBHPAMIUNZ-YDHLFZDLSA-N 1 0 297.399 0.311 10 0 CCAERO C[C@@H]1OCC[C@H]1NC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000333610961 545040932 /nfs/dbraw/zinc/04/09/32/545040932.db2.gz RZHTWVXHCYOGGN-GMXVVIOVSA-N 1 0 292.383 0.794 10 0 CCAERO C[C@@H]1OCC[C@@H]1NC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000333610963 545040950 /nfs/dbraw/zinc/04/09/50/545040950.db2.gz RZHTWVXHCYOGGN-GVXVVHGQSA-N 1 0 292.383 0.794 10 0 CCAERO O=C(N[C@@H]1CCO[C@H]1C1CC1)N1CCC[NH2+]CC1 ZINC000333630797 545040954 /nfs/dbraw/zinc/04/09/54/545040954.db2.gz SPTJFGALVLOOBQ-NEPJUHHUSA-N 1 0 253.346 0.559 10 0 CCAERO O=C(NC[C@@H]1CC[NH2+]C1)N1CCC[C@H](n2ccnn2)C1 ZINC000333653629 545041357 /nfs/dbraw/zinc/04/13/57/545041357.db2.gz ZLKZMJDVSFYUBT-NEPJUHHUSA-N 1 0 278.360 0.234 10 0 CCAERO O=C(NC[C@@H]1CC[NH2+]C1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000333657745 545041378 /nfs/dbraw/zinc/04/13/78/545041378.db2.gz WQFCQCAGNUEHFQ-YVECIDJPSA-N 1 0 279.384 0.853 10 0 CCAERO C[C@@H]([NH3+])CCNC(=O)c1cnc2ccccc2c1O ZINC000521041395 260030054 /nfs/dbraw/zinc/03/00/54/260030054.db2.gz HLVDZCTWYRLLAY-SECBINFHSA-N 1 0 259.309 0.995 10 0 CCAERO CC[C@@H](O)C[NH+]1CCN([C@H]2CCN(C(C)C)C2=O)CC1 ZINC000175275479 261218235 /nfs/dbraw/zinc/21/82/35/261218235.db2.gz VMVCOMBZTOBPKQ-KGLIPLIRSA-N 1 0 283.416 0.384 10 0 CCAERO CC1(C)CN(C(=O)NC2C[NH2+]C2)C[C@@H](C(F)(F)F)O1 ZINC000335396528 275836563 /nfs/dbraw/zinc/83/65/63/275836563.db2.gz QJFGMMDWBNIWCJ-QMMMGPOBSA-N 1 0 281.278 0.710 10 0 CCAERO CC[N@H+](C)[C@@H]1CCN(c2cnn(C)c(=O)c2Cl)C1 ZINC000302763734 276077417 /nfs/dbraw/zinc/07/74/17/276077417.db2.gz LADYDBGJSVZQGW-SECBINFHSA-N 1 0 270.764 0.964 10 0 CCAERO CC[N@H+](CCNC(=O)N[C@H]1CCc2ncnn2C1)C1CC1 ZINC000112747799 276128466 /nfs/dbraw/zinc/12/84/66/276128466.db2.gz UJISYVKIMRFLHH-NSHDSACASA-N 1 0 292.387 0.376 10 0 CCAERO CC1(C)[C@H]([NH2+][C@H]2CCc3ncnn3C2)[C@@H]2CCO[C@@H]21 ZINC000333276131 276163724 /nfs/dbraw/zinc/16/37/24/276163724.db2.gz IPRPDWFPFZIKGC-DJIHRAIXSA-N 1 0 262.357 0.996 10 0 CCAERO CCC[N@H+](C)CC(=O)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000408248253 276246264 /nfs/dbraw/zinc/24/62/64/276246264.db2.gz UKVVKZUSNKYBRB-CQSZACIVSA-N 1 0 267.373 0.457 10 0 CCAERO CC(=O)N1CSC[C@@H]1C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000334243316 277014134 /nfs/dbraw/zinc/01/41/34/277014134.db2.gz REQQXESZQHQYGV-ZYHUDNBSSA-N 1 0 285.413 0.460 10 0 CCAERO C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCCn2ncnc21 ZINC000176453801 277063378 /nfs/dbraw/zinc/06/33/78/277063378.db2.gz RVYRPTJSCXTLTC-GHMZBOCLSA-N 1 0 278.360 0.506 10 0 CCAERO C[N@@H+]1CCC[C@H](C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)C1 ZINC000230151842 277073180 /nfs/dbraw/zinc/07/31/80/277073180.db2.gz QJMIVJCWEFJADB-YNEHKIRRSA-N 1 0 279.384 0.598 10 0 CCAERO C[N@@H+]1CC[C@@H]2OCCN(Cc3cc(C(N)=O)cs3)[C@H]2C1 ZINC000284510142 277153485 /nfs/dbraw/zinc/15/34/85/277153485.db2.gz DQBBUEKELSSTPV-STQMWFEESA-N 1 0 295.408 0.752 10 0 CCAERO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCC[C@H]1C[NH3+] ZINC000333537555 277245391 /nfs/dbraw/zinc/24/53/91/277245391.db2.gz IUWCLNIOWJCOPW-DMDPSCGWSA-N 1 0 296.415 0.812 10 0 CCAERO CSC1(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)CC1 ZINC000191718233 277505039 /nfs/dbraw/zinc/50/50/39/277505039.db2.gz FNNZUTSBIDTWNL-JTQLQIEISA-N 1 0 258.387 0.671 10 0 CCAERO CC(C)N(C)S(=O)(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000184313534 277559137 /nfs/dbraw/zinc/55/91/37/277559137.db2.gz KDCSSEPBWMFZFF-AXFHLTTASA-N 1 0 261.391 0.241 10 0 CCAERO CO[C@@H]1COC[C@@H]1[NH+]1CCC(Nc2cccnn2)CC1 ZINC000333382802 277669594 /nfs/dbraw/zinc/66/95/94/277669594.db2.gz BLAIUOKKHMCLBF-QWHCGFSZSA-N 1 0 278.356 0.189 10 0 CCAERO CC(=O)N1CCN(C[C@@H]2CCC[NH2+]C2)C(C)(C)C1 ZINC000334318306 278041531 /nfs/dbraw/zinc/04/15/31/278041531.db2.gz WGASQBMEKSPMST-CYBMUJFWSA-N 1 0 253.390 0.929 10 0 CCAERO COc1nccc(NC(=O)N[C@@H]2CCCC[NH2+]C2)n1 ZINC000333411746 278091596 /nfs/dbraw/zinc/09/15/96/278091596.db2.gz ZYBIXCVUZFSFQH-SECBINFHSA-N 1 0 265.317 0.171 10 0 CCAERO C[C@@H]([NH3+])CC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000261797414 278305305 /nfs/dbraw/zinc/30/53/05/278305305.db2.gz KVBVDQBDMSBXRJ-HIFRSBDPSA-N 1 0 291.395 0.602 10 0 CCAERO C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)CCS1 ZINC000192185297 278367132 /nfs/dbraw/zinc/36/71/32/278367132.db2.gz MPDMRLJKKWFTQV-RYUDHWBXSA-N 1 0 299.440 0.538 10 0 CCAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)CC2CCOCC2)C[C@H]1C ZINC000174304619 278396891 /nfs/dbraw/zinc/39/68/91/278396891.db2.gz RPVIMNXRWFWCHS-CHWSQXEVSA-N 1 0 284.400 0.717 10 0 CCAERO C[C@@H]1CC(C)(C)CN1C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000335405372 278442630 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CC[NH+](CC)CCNC(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112739456 279106652 /nfs/dbraw/zinc/10/66/52/279106652.db2.gz IMQXAZNJMUKQHQ-LLVKDONJSA-N 1 0 280.376 0.234 10 0 CCAERO CC[C@H](O)C[NH+]1CCN(CC(=O)NCC(F)(F)F)CC1 ZINC000118859408 288110398 /nfs/dbraw/zinc/11/03/98/288110398.db2.gz DNCYKIKUBAZVIF-JTQLQIEISA-N 1 0 297.321 0.053 10 0 CCAERO CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)N1CCOCC1 ZINC000245925437 279266888 /nfs/dbraw/zinc/26/68/88/279266888.db2.gz VVAQREJFUAPRDR-UONOGXRCSA-N 1 0 283.416 0.698 10 0 CCAERO Cn1cc(N2CC[C@@H](N3CC[C@@H]([NH3+])C(C)(C)C3)C2=O)cn1 ZINC000261645614 279340571 /nfs/dbraw/zinc/34/05/71/279340571.db2.gz GTBGLWPQGSEJRI-CHWSQXEVSA-N 1 0 291.399 0.585 10 0 CCAERO CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000128042080 279482033 /nfs/dbraw/zinc/48/20/33/279482033.db2.gz BYNYWNKVNNXIBK-VXGBXAGGSA-N 1 0 293.371 0.802 10 0 CCAERO CCO[C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C12CCC2 ZINC000262004705 279917452 /nfs/dbraw/zinc/91/74/52/279917452.db2.gz NRMZCHOGDPDSEG-XQHKEYJVSA-N 1 0 282.384 0.957 10 0 CCAERO O=C(c1[nH]nc2c1C[NH2+]CC2)N1C[C@H]2CCC[C@@H]2C1 ZINC000188572591 280156570 /nfs/dbraw/zinc/15/65/70/280156570.db2.gz DQXWHDXDNILCEH-NXEZZACHSA-N 1 0 260.341 0.928 10 0 CCAERO CC[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C(=O)N1CCOCC1 ZINC000261752702 280180376 /nfs/dbraw/zinc/18/03/76/280180376.db2.gz MTSKFTOYRDPXPA-JHJVBQTASA-N 1 0 297.399 0.115 10 0 CCAERO CC[C@@H]1C[C@H](C(=O)N2CC[C@H]([NH+](C)C)C2)CC(=O)N1 ZINC000408200763 280541278 /nfs/dbraw/zinc/54/12/78/280541278.db2.gz BPTDXBOUWIYQAS-TUAOUCFPSA-N 1 0 267.373 0.454 10 0 CCAERO COc1cc(NC(=O)C2(C[NH3+])CCOCC2)ccn1 ZINC000382385243 545084928 /nfs/dbraw/zinc/08/49/28/545084928.db2.gz QIELSWSTWNKBQI-UHFFFAOYSA-N 1 0 265.313 0.784 10 0 CCAERO CC1(C)CN(C(=O)C(=O)N2CCC[C@](C)(F)C2)CC[C@H]1[NH3+] ZINC000335033616 281149387 /nfs/dbraw/zinc/14/93/87/281149387.db2.gz XFLBFHWAABHMPS-ABAIWWIYSA-N 1 0 299.390 0.923 10 0 CCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCNC(C)=O ZINC000173362275 281189409 /nfs/dbraw/zinc/18/94/09/281189409.db2.gz KEUPCRRNBJGZNO-QWHCGFSZSA-N 1 0 282.388 0.391 10 0 CCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)N(C)C ZINC000173358060 288311690 /nfs/dbraw/zinc/31/16/90/288311690.db2.gz AVLPTYJPLOAOCP-WDEREUQCSA-N 1 0 261.391 0.351 10 0 CCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)CCCOC ZINC000173727268 288311917 /nfs/dbraw/zinc/31/19/17/288311917.db2.gz UAWOHSIUGALRKH-QWHCGFSZSA-N 1 0 290.429 0.911 10 0 CCAERO CN(C)C(=O)c1cccc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)c1 ZINC000185179868 282009928 /nfs/dbraw/zinc/00/99/28/282009928.db2.gz NECAFXQBHPHDPA-ZIAGYGMSSA-N 1 0 278.352 0.316 10 0 CCAERO COC[C@@H](C)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000113990582 292750388 /nfs/dbraw/zinc/75/03/88/292750388.db2.gz DLLZRIQHGRIWCU-LLVKDONJSA-N 1 0 258.362 0.496 10 0 CCAERO C[C@H](O)C[N@H+](C)C1CCN(C(=O)[C@@H]2[C@@H]3CCCO[C@H]23)CC1 ZINC000333342997 290077212 /nfs/dbraw/zinc/07/72/12/290077212.db2.gz PNXDPGNROWORDL-MHEUCROKSA-N 1 0 296.411 0.715 10 0 CCAERO CNC(=O)C(C)(C)CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000230398162 290343444 /nfs/dbraw/zinc/34/34/44/290343444.db2.gz NBKRXRCDZQKHOP-NXEZZACHSA-N 1 0 255.362 0.263 10 0 CCAERO O=C(CC[C@H]1CCC[NH2+]1)N1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000383309688 545085102 /nfs/dbraw/zinc/08/51/02/545085102.db2.gz RZOUNGIPDWEXRZ-JHJVBQTASA-N 1 0 279.384 0.646 10 0 CCAERO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(S(C)(=O)=O)C1 ZINC000347909917 294614608 /nfs/dbraw/zinc/61/46/08/294614608.db2.gz AJNQSFAPCMUPGU-QWRGUYRKSA-N 1 0 262.375 0.131 10 0 CCAERO NC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000262604439 295083279 /nfs/dbraw/zinc/08/32/79/295083279.db2.gz FLQAKRBGQJRHDN-WOPDTQHZSA-N 1 0 282.388 0.553 10 0 CCAERO NC(=O)[C@H]1CCCCN1C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000070984845 295145629 /nfs/dbraw/zinc/14/56/29/295145629.db2.gz DSWHVUZYMKXPDM-GHMZBOCLSA-N 1 0 265.357 0.243 10 0 CCAERO NS(=O)(=O)c1ccc(N[C@@H]2CCCC[C@H]2[NH3+])nc1 ZINC000038050672 295300994 /nfs/dbraw/zinc/30/09/94/295300994.db2.gz XRKIKHAPRXGRCC-NXEZZACHSA-N 1 0 270.358 0.411 10 0 CCAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)CCO1 ZINC000284521105 297286022 /nfs/dbraw/zinc/28/60/22/297286022.db2.gz LVOWJHQAAZLIBR-NWJSVONSSA-N 1 0 292.383 0.849 10 0 CCAERO C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000261973505 297398454 /nfs/dbraw/zinc/39/84/54/297398454.db2.gz BTDUQEGVLYRQJQ-GHMZBOCLSA-N 1 0 298.412 0.577 10 0 CCAERO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000408246233 298037888 /nfs/dbraw/zinc/03/78/88/298037888.db2.gz KRLRQKFXPPXPNZ-RFGFWPKPSA-N 1 0 293.411 0.831 10 0 CCAERO C[C@](C[NH3+])(NS(=O)(=O)[C@@H]1CCCOC1)C1CC1 ZINC000262096009 300721010 /nfs/dbraw/zinc/72/10/10/300721010.db2.gz SICRYXQARFRDDS-GHMZBOCLSA-N 1 0 262.375 0.212 10 0 CCAERO NC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089455316 303425373 /nfs/dbraw/zinc/42/53/73/303425373.db2.gz LJCNWMFFRYHVFY-MXWKQRLJSA-N 1 0 253.346 0.228 10 0 CCAERO C[C@@H]1NC(=O)CC[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000332697900 327644627 /nfs/dbraw/zinc/64/46/27/327644627.db2.gz ZRKFBSWKSYTECB-SUHUHFCYSA-N 1 0 279.384 0.644 10 0 CCAERO COC[C@H](C)C[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000187205082 327710862 /nfs/dbraw/zinc/71/08/62/327710862.db2.gz IMASRNPNKNOQDG-GFCCVEGCSA-N 1 0 290.371 0.529 10 0 CCAERO C[C@@H]1CC[C@H](C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)O1 ZINC000387952334 327821232 /nfs/dbraw/zinc/82/12/32/327821232.db2.gz MIRPEHQJCUMQCT-JHJVBQTASA-N 1 0 267.373 0.060 10 0 CCAERO NC(=O)CN1CCC(C(=O)NCC[C@H]2CCCOC2)CC1 ZINC000534585835 328315211 /nfs/dbraw/zinc/31/52/11/328315211.db2.gz FFGIREJNLKDNDQ-GFCCVEGCSA-N 1 0 297.399 0.117 10 0 CCAERO CCN(C[C@@H]1CCCO1)C(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000218463363 329469933 /nfs/dbraw/zinc/46/99/33/329469933.db2.gz XHHMUXWKKCIXGI-QJPTWQEYSA-N 1 0 256.346 0.391 10 0 CCAERO COC(C)(C)CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000173510902 335136030 /nfs/dbraw/zinc/13/60/30/335136030.db2.gz 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ZINC000213393182 613977900 /nfs/dbraw/zinc/97/79/00/613977900.db2.gz ZWXZHFXBGQBBLL-JTQLQIEISA-N 1 0 271.361 0.708 10 0 CCAERO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnn(C)n1)C2 ZINC000888097893 614282221 /nfs/dbraw/zinc/28/22/21/614282221.db2.gz SEXNDHUWLRFQFH-TUVASFSCSA-N 1 0 293.415 0.384 10 0 CCAERO CCc1cc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)no1 ZINC000890469624 615617306 /nfs/dbraw/zinc/61/73/06/615617306.db2.gz YVHKHGYHJHKTTK-OLZOCXBDSA-N 1 0 279.340 0.782 10 0 CCAERO Cn1cnn(CN2CCO[C@@H](C[NH+](C)C)C2)c1=S ZINC000152991369 615947426 /nfs/dbraw/zinc/94/74/26/615947426.db2.gz RVBUWLFQTLCQAT-JTQLQIEISA-N 1 0 271.390 0.171 10 0 CCAERO COC(=O)[C@H](C[NH3+])C1CN(C(=O)OC(C)(C)C)C1 ZINC000211957146 616598046 /nfs/dbraw/zinc/59/80/46/616598046.db2.gz RURDMNLFGDBBLG-SECBINFHSA-N 1 0 258.318 0.601 10 0 CCAERO COC(=O)N[C@@H](C(=O)NC[C@H]1CCC[N@H+](C)C1)C(C)C ZINC000108338838 616902970 /nfs/dbraw/zinc/90/29/70/616902970.db2.gz WHAXDHYZWSOUFE-VXGBXAGGSA-N 1 0 285.388 0.825 10 0 CCAERO C[NH+](C)C[C@]1(O)CCCN(c2ncc3[nH]cnc3n2)C1 ZINC000072436581 622832325 /nfs/dbraw/zinc/83/23/25/622832325.db2.gz QLPTZEXIJUZCOZ-CYBMUJFWSA-N 1 0 276.344 0.246 10 0 CCAERO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)C(=O)N(C)C ZINC000076309568 623153842 /nfs/dbraw/zinc/15/38/42/623153842.db2.gz WQDDOSGGOHSVCD-WCQYABFASA-N 1 0 299.415 0.373 10 0 CCAERO CCC[C@@H]([NH3+])C(=O)NC[C@@H](O)c1ccccc1OC ZINC000178029730 623499135 /nfs/dbraw/zinc/49/91/35/623499135.db2.gz FRHFYGAYEPOPBC-VXGBXAGGSA-N 1 0 266.341 0.972 10 0 CCAERO OC[C@@H](O)C[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000090282934 624482242 /nfs/dbraw/zinc/48/22/42/624482242.db2.gz QHIBSHRUSOSHHT-QWRGUYRKSA-N 1 0 279.258 0.682 10 0 CCAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000306064277 624593372 /nfs/dbraw/zinc/59/33/72/624593372.db2.gz XOWZYDGAIZZDBI-JHJVBQTASA-N 1 0 256.390 0.846 10 0 CCAERO CC[C@@H]1CN(C(=O)C[C@H](C)OC)CC[N@@H+]1C[C@@H](C)O ZINC000246944424 624609783 /nfs/dbraw/zinc/60/97/83/624609783.db2.gz RXKMINDEVNFJOD-FRRDWIJNSA-N 1 0 272.389 0.715 10 0 CCAERO CCCCOC[C@@H](O)CN1CCCO[C@H](C[NH3+])C1 ZINC000313333536 625770247 /nfs/dbraw/zinc/77/02/47/625770247.db2.gz FIAHQOGMSAMGCS-QWHCGFSZSA-N 1 0 260.378 0.214 10 0 CCAERO OCCN1CCC[C@@H]([NH2+]C[C@H](O)c2ccccc2)C1 ZINC000313545987 625839365 /nfs/dbraw/zinc/83/93/65/625839365.db2.gz DSGMDCXFIZXYIU-CABCVRRESA-N 1 0 264.369 0.766 10 0 CCAERO COc1cc(OC)nc(N2CC[C@@H](CC[NH3+])C2)n1 ZINC000125492315 625885936 /nfs/dbraw/zinc/88/59/36/625885936.db2.gz KULVYGRRGGBZQN-SECBINFHSA-N 1 0 252.318 0.669 10 0 CCAERO [NH3+]C1CC(C(=O)NCc2ccc3c(c2)OCCO3)C1 ZINC000258614154 630969527 /nfs/dbraw/zinc/96/95/27/630969527.db2.gz BHFHUFCVVTXWSR-UHFFFAOYSA-N 1 0 262.309 0.811 10 0 CCAERO C[NH2+]C[C@H]1CCCCN1c1ccc(C(=O)OC)nn1 ZINC000063169454 631363145 /nfs/dbraw/zinc/36/31/45/631363145.db2.gz OAKQYXZAHFUWBX-SNVBAGLBSA-N 1 0 264.329 0.842 10 0 CCAERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CS(=O)(=O)C[C@H]2O)[C@@H]1C ZINC000251908513 631554882 /nfs/dbraw/zinc/55/48/82/631554882.db2.gz TVAQZZFWLKQVQI-RMPHRYRLSA-N 1 0 261.387 0.559 10 0 CCAERO O=C(Cn1nnc2ccccc21)N[C@H]1C[NH+]2CCC1CC2 ZINC000222549997 631571747 /nfs/dbraw/zinc/57/17/47/631571747.db2.gz PTEKSHMHLJKWDX-ZDUSSCGKSA-N 1 0 285.351 0.642 10 0 CCAERO Cc1noc2ncc(C[NH2+][C@@H]3CCOC[C@@H]3O)cc12 ZINC000895405838 632076148 /nfs/dbraw/zinc/07/61/48/632076148.db2.gz ORSVPTKXPGXIBX-NEPJUHHUSA-N 1 0 263.297 0.771 10 0 CCAERO COC1CC([NH2+]Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000234702746 632824163 /nfs/dbraw/zinc/82/41/63/632824163.db2.gz NATJCVVCAIOYRH-UHFFFAOYSA-N 1 0 270.354 0.601 10 0 CCAERO Cc1nnc2c(NCCN3CCC([NH3+])CC3)nccn12 ZINC000322060131 633135184 /nfs/dbraw/zinc/13/51/84/633135184.db2.gz CCXBVUDEAQGGMZ-UHFFFAOYSA-N 1 0 275.360 0.268 10 0 CCAERO O=C(NCCc1cnoc1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000899026859 633709678 /nfs/dbraw/zinc/70/96/78/633709678.db2.gz SMSZXWOXHZAKSA-NWDGAFQWSA-N 1 0 265.313 0.197 10 0 CCAERO [NH3+][C@]1(CO)CCCN(C(=O)NCc2ccccc2)C1 ZINC000899241866 633766216 /nfs/dbraw/zinc/76/62/16/633766216.db2.gz MGOAVQSDHBVLNG-CQSZACIVSA-N 1 0 263.341 0.682 10 0 CCAERO O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CCC[C@@H]1CCCO ZINC000901223386 634216543 /nfs/dbraw/zinc/21/65/43/634216543.db2.gz BSVANGBJJYOQQC-ZIAGYGMSSA-N 1 0 282.384 0.471 10 0 CCAERO C[C@@H]1CC(CNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)C[C@@H](C)O1 ZINC000907975099 635254873 /nfs/dbraw/zinc/25/48/73/635254873.db2.gz UBLBFKSMANQWSV-CVMIBZJCSA-N 1 0 284.400 0.761 10 0 CCAERO CSCC[C@@H](C)NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000157065857 636901585 /nfs/dbraw/zinc/90/15/85/636901585.db2.gz WZZNRLSVRMEUOL-LLVKDONJSA-N 1 0 273.446 0.928 10 0 CCAERO Cn1ncc(N2CCC[C@H]([NH3+])C2)c(Br)c1=O ZINC000167887798 636981986 /nfs/dbraw/zinc/98/19/86/636981986.db2.gz QASSCJRGHOAFAA-ZETCQYMHSA-N 1 0 287.161 0.470 10 0 CCAERO COC(=O)N[C@@H](C(=O)NCC[NH+]1CCCC1)C(C)C ZINC000170995785 637110804 /nfs/dbraw/zinc/11/08/04/637110804.db2.gz AOFXJWBXQOGRMY-LLVKDONJSA-N 1 0 271.361 0.579 10 0 CCAERO C[NH+](C)[C@@H]1CCN(Cn2nc3ccccn3c2=O)C1 ZINC000170842931 638208787 /nfs/dbraw/zinc/20/87/87/638208787.db2.gz FBAHQWMXSLQEFI-LLVKDONJSA-N 1 0 261.329 0.089 10 0 CCAERO COC[C@@H](O)C[NH2+]C[C@H](O)c1cc(F)ccc1F ZINC000071273209 638548102 /nfs/dbraw/zinc/54/81/02/638548102.db2.gz MXTSKRYDKCMJAD-CABZTGNLSA-N 1 0 261.268 0.595 10 0 CCAERO Cn1nccc1CCNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000185016517 638741281 /nfs/dbraw/zinc/74/12/81/638741281.db2.gz YHSIEHQXHMCYPK-LBPRGKRZSA-N 1 0 265.361 0.308 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cn1nc(CO)n(C)c1=S ZINC000120512846 645357108 /nfs/dbraw/zinc/35/71/08/645357108.db2.gz WZNBLQFEFLKTOE-GHMZBOCLSA-N 1 0 297.428 0.569 10 0 CCAERO Cc1nocc1NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000888745688 646806075 /nfs/dbraw/zinc/80/60/75/646806075.db2.gz ZGMCSDBXERQDCS-JTQLQIEISA-N 1 0 268.317 0.777 10 0 CCAERO O=S(=O)(N[C@@H]1COc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000078802736 649496923 /nfs/dbraw/zinc/49/69/23/649496923.db2.gz NNEAAPKNWPXINH-CMPLNLGQSA-N 1 0 282.365 0.792 10 0 CCAERO CC[C@@H](O)C[NH+]1CCN(C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000192045132 649497512 /nfs/dbraw/zinc/49/75/12/649497512.db2.gz MMSAMZHIXQQKGC-ZIAGYGMSSA-N 1 0 296.411 0.861 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)N1CCO[C@@H](C)C1 ZINC000245479227 649643689 /nfs/dbraw/zinc/64/36/89/649643689.db2.gz WFEBPHDJWKQKFY-UONOGXRCSA-N 1 0 283.416 0.650 10 0 CCAERO CCN(CC(=O)N(C)C)C(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089388524 649654498 /nfs/dbraw/zinc/65/44/98/649654498.db2.gz ROXSLJNDCOQZFP-NEPJUHHUSA-N 1 0 269.389 0.688 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCC(=O)NCc1ccccc1 ZINC000089458081 649657640 /nfs/dbraw/zinc/65/76/40/649657640.db2.gz VOUZKFGMAKQLTG-UONOGXRCSA-N 1 0 289.379 0.794 10 0 CCAERO [NH3+]CCCCc1nc([C@H]2CN3CCN2CC3)no1 ZINC000094506502 649743850 /nfs/dbraw/zinc/74/38/50/649743850.db2.gz VVPYNQMYOLQPQI-SNVBAGLBSA-N 1 0 251.334 0.023 10 0 CCAERO C[C@H]([NH3+])CCc1nc([C@@H]2CN3CCC[C@H]3CO2)no1 ZINC000252557426 649828150 /nfs/dbraw/zinc/82/81/50/649828150.db2.gz UEIPOTQSUQYLKA-DCAQKATOSA-N 1 0 266.345 0.885 10 0 CCAERO C[NH+](C)CCCC[NH2+]C[C@H]1[C@H](C(=O)[O-])C1(F)F ZINC000715312524 977738781 /nfs/dbraw/zinc/73/87/81/977738781.db2.gz GXJUAAUIEHYQEA-DTWKUNHWSA-N 1 0 250.289 0.884 10 0 CCAERO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C1 ZINC000715549495 977769145 /nfs/dbraw/zinc/76/91/45/977769145.db2.gz WDPRCCJNUJXRQU-AXFHLTTASA-N 1 0 271.361 0.168 10 0 CCAERO C[C@@H]1C[N@H+](C[C@H](O)C[NH+]2CCCC2)C[C@H]1CC(=O)[O-] ZINC000722608213 978148984 /nfs/dbraw/zinc/14/89/84/978148984.db2.gz DHIJJZMVFJVXQF-JHJVBQTASA-N 1 0 270.373 0.486 10 0 CCAERO CNC(=O)[C@H](NC(=O)N[C@H](C)C[NH+]1CCCCC1)C(C)C ZINC000178445028 290603752 /nfs/dbraw/zinc/60/37/52/290603752.db2.gz LJVYCTFUMAWGAR-CHWSQXEVSA-N 1 0 298.431 0.931 10 0 CCAERO CCOc1cc(NCCCN2CC[NH2+]CC2)ncn1 ZINC000090784304 349443613 /nfs/dbraw/zinc/44/36/13/349443613.db2.gz CEVLSWVZVDXBIA-UHFFFAOYSA-N 1 0 265.361 0.583 10 0 CCAERO CCC[C@@H](C(=O)N[C@H]1CCCn2ncnc21)[NH+](C)C ZINC000091699518 349473414 /nfs/dbraw/zinc/47/34/14/349473414.db2.gz ZGCKTJAOCFLJHS-QWRGUYRKSA-N 1 0 265.361 0.960 10 0 CCAERO COC(=O)c1cc(I)nc(C[NH3+])c1 ZINC000095766624 185027027 /nfs/dbraw/zinc/02/70/27/185027027.db2.gz ZAQOSFHGKSFYTK-UHFFFAOYSA-N 1 0 292.076 0.932 10 0 CCAERO CN1CCO[C@@H](C[NH2+]Cc2cc(C(N)=O)cs2)C1 ZINC000093688490 349551252 /nfs/dbraw/zinc/55/12/52/349551252.db2.gz TWHVKKWALVAFDT-JTQLQIEISA-N 1 0 269.370 0.267 10 0 CCAERO C[C@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CCCO1 ZINC000093696331 349551277 /nfs/dbraw/zinc/55/12/77/349551277.db2.gz XVEWXHNPXGEPAK-AVGNSLFASA-N 1 0 290.429 0.815 10 0 CCAERO CCOC(=O)COCCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094805548 349575177 /nfs/dbraw/zinc/57/51/77/349575177.db2.gz QXQYFYMWVPQSIP-CYBMUJFWSA-N 1 0 270.373 0.736 10 0 CCAERO CN1CCN(C(=O)C[C@H]2CCC[NH2+]C2)C(C)(C)C1=O ZINC000094865941 349577296 /nfs/dbraw/zinc/57/72/96/349577296.db2.gz PYGLBBQIKLNDHF-LLVKDONJSA-N 1 0 267.373 0.455 10 0 CCAERO Cc1nccnc1S(=O)(=O)N1CCCC[C@H]1C[NH3+] ZINC000095068763 349585600 /nfs/dbraw/zinc/58/56/00/349585600.db2.gz GBBCQFNRKTWJCI-JTQLQIEISA-N 1 0 270.358 0.287 10 0 CCAERO C[NH2+][C@H]1CCCN(S(=O)(=O)c2cc(C)ccn2)C1 ZINC000095071465 349587355 /nfs/dbraw/zinc/58/73/55/349587355.db2.gz FPHXYEFHSMFVPX-NSHDSACASA-N 1 0 269.370 0.763 10 0 CCAERO [NH3+][C@H]1CCCN(S(=O)(=O)c2ncccc2Cl)C1 ZINC000095072339 349587398 /nfs/dbraw/zinc/58/73/98/349587398.db2.gz ZQLPBEIUCLEPAL-QMMMGPOBSA-N 1 0 275.761 0.847 10 0 CCAERO O=S(=O)(Cc1ccccn1)C[C@@H]1CCC[NH2+]C1 ZINC000095073219 349588198 /nfs/dbraw/zinc/58/81/98/349588198.db2.gz VAROCPYJEGGCEJ-LLVKDONJSA-N 1 0 254.355 0.996 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cc2c(s1)CCCC2 ZINC000262084065 295673783 /nfs/dbraw/zinc/67/37/83/295673783.db2.gz CNUMNDCRMYODMI-WDEREUQCSA-N 1 0 280.393 0.937 10 0 CCAERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)C1CCS(=O)(=O)CC1 ZINC000330209710 290021622 /nfs/dbraw/zinc/02/16/22/290021622.db2.gz BWYPSOCCAZLDDZ-HOSYDEDBSA-N 1 0 261.387 0.967 10 0 CCAERO O=C(C[N@H+]1CCC[C@@H]1CO)N1CCO[C@H]2CCCC[C@H]21 ZINC000101546604 349663675 /nfs/dbraw/zinc/66/36/75/349663675.db2.gz MWIXCUOAABUJEN-MCIONIFRSA-N 1 0 282.384 0.613 10 0 CCAERO CCCC(=O)NCC(=O)NCCC1CC[NH+](C)CC1 ZINC000102640163 349682423 /nfs/dbraw/zinc/68/24/23/349682423.db2.gz GKNWNHIQDGMYFC-UHFFFAOYSA-N 1 0 269.389 0.751 10 0 CCAERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)N(C)C1CC1 ZINC000103283589 349696454 /nfs/dbraw/zinc/69/64/54/349696454.db2.gz CPCYTHLPTFXURT-NXEZZACHSA-N 1 0 253.346 0.193 10 0 CCAERO C[C@@H](NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1nncn1C ZINC000105064446 349720032 /nfs/dbraw/zinc/72/00/32/349720032.db2.gz WLOSQDQNLMCOBX-VXGBXAGGSA-N 1 0 292.387 0.756 10 0 CCAERO c1cnn(CC[N@@H+]2CCCN(c3cccnn3)CC2)c1 ZINC000105800257 349723551 /nfs/dbraw/zinc/72/35/51/349723551.db2.gz XLUDIBGIPSECMH-UHFFFAOYSA-N 1 0 272.356 0.885 10 0 CCAERO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccnn1C ZINC000104244422 349712768 /nfs/dbraw/zinc/71/27/68/349712768.db2.gz BOPWPENDKUHUTB-GFCCVEGCSA-N 1 0 250.346 0.911 10 0 CCAERO CC(C)NC(=O)CC[NH+]1CCC(N2CCCC2=O)CC1 ZINC000104727484 349717451 /nfs/dbraw/zinc/71/74/51/349717451.db2.gz JTEKQPMAIMCQNB-UHFFFAOYSA-N 1 0 281.400 0.988 10 0 CCAERO CCOCCCNC(=O)NC[C@H]1CN(C)CCO1 ZINC000104778466 349717818 /nfs/dbraw/zinc/71/78/18/349717818.db2.gz XLXDYMNFRBGYHJ-NSHDSACASA-N 1 0 259.350 0.043 10 0 CCAERO CCNC(=O)CC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105884042 349727689 /nfs/dbraw/zinc/72/76/89/349727689.db2.gz SQQATTAQEZMQQS-LBPRGKRZSA-N 1 0 265.361 0.516 10 0 CCAERO CCCN(CCC)C(=O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000105927826 349728900 /nfs/dbraw/zinc/72/89/00/349728900.db2.gz XFQKILWLPRVRJT-CQSZACIVSA-N 1 0 285.432 0.897 10 0 CCAERO Cc1cc(NC(=O)CN(C)C(=O)[C@@H]2C[NH2+]C[C@H]2C)no1 ZINC000111269088 349767719 /nfs/dbraw/zinc/76/77/19/349767719.db2.gz TXQJBERCGQXCTD-PSASIEDQSA-N 1 0 280.328 0.235 10 0 CCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000111267206 349767821 /nfs/dbraw/zinc/76/78/21/349767821.db2.gz BHXJXDPPEGERBP-OUAUKWLOSA-N 1 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CCc1nc(CCNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])no1 ZINC000261791202 137020229 /nfs/dbraw/zinc/02/02/29/137020229.db2.gz QGPLQVUOIGUZGP-NXEZZACHSA-N 1 0 266.345 0.666 10 0 CCAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1nccn1-c1ccccc1 ZINC000263137337 137059156 /nfs/dbraw/zinc/05/91/56/137059156.db2.gz CCSSCTGBQCESNL-OCCSQVGLSA-N 1 0 272.352 0.542 10 0 CCAERO CN(CC(F)F)C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261855619 137022819 /nfs/dbraw/zinc/02/28/19/137022819.db2.gz BRNADWJGTINJSV-ZJUUUORDSA-N 1 0 272.299 0.447 10 0 CCAERO [NH3+]C1(C(=O)NC[C@H](O)c2cccc(F)c2)CCOCC1 ZINC000261868082 137023379 /nfs/dbraw/zinc/02/33/79/137023379.db2.gz NTKUQRHTUMSALX-LBPRGKRZSA-N 1 0 282.315 0.483 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccccc1OCC1CC1 ZINC000261899357 137024662 /nfs/dbraw/zinc/02/46/62/137024662.db2.gz AEKLNDSVDOCFMS-TZMCWYRMSA-N 1 0 290.363 0.786 10 0 CCAERO Cn1cc([C@H]2CCCN2C(=O)[C@@H]2CC[C@H](C[NH3+])O2)cn1 ZINC000261899302 137024960 /nfs/dbraw/zinc/02/49/60/137024960.db2.gz 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131234343 /nfs/dbraw/zinc/23/43/43/131234343.db2.gz ZFEBIHSXMAXHQC-STQMWFEESA-N 1 0 287.319 0.681 10 0 CCAERO CCC[C@@](C)([NH3+])C(=O)N[C@H](C)C(=O)NCc1ccco1 ZINC000262710868 131254240 /nfs/dbraw/zinc/25/42/40/131254240.db2.gz QLAGOLSQBNDDGF-QMTHXVAHSA-N 1 0 281.356 0.918 10 0 CCAERO CC(C)[C@@H](O)CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262808188 131263816 /nfs/dbraw/zinc/26/38/16/131263816.db2.gz PZCZODVFKOCEEW-AAEUAGOBSA-N 1 0 280.372 0.554 10 0 CCAERO CNC(=O)C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000268736065 132058275 /nfs/dbraw/zinc/05/82/75/132058275.db2.gz PZTUYKHDVGTSLX-TZMCWYRMSA-N 1 0 261.369 0.843 10 0 CCAERO Cc1cc(Cl)ncc1NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000269225971 132136669 /nfs/dbraw/zinc/13/66/69/132136669.db2.gz QKPGNRFQHUQTEJ-SFYZADRCSA-N 1 0 255.705 0.705 10 0 CCAERO CCNS(=O)(=O)c1ccc(N2CCC[C@H]([NH3+])C2)cc1 ZINC000041030122 134875334 /nfs/dbraw/zinc/87/53/34/134875334.db2.gz KSQYPPMNFLFNAB-NSHDSACASA-N 1 0 283.397 0.912 10 0 CCAERO C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2)[C@@H](C)C[NH2+]1 ZINC000083514626 135025781 /nfs/dbraw/zinc/02/57/81/135025781.db2.gz ZYBLVMDSDVZFSV-ZJUUUORDSA-N 1 0 269.370 0.521 10 0 CCAERO Cc1ccc(C(=O)NCCNC(=O)[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000085369579 292072027 /nfs/dbraw/zinc/07/20/27/292072027.db2.gz KIRWVSCDTZOQQV-UONOGXRCSA-N 1 0 289.379 0.968 10 0 CCAERO C[C@@H]([NH3+])CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000037607238 397380890 /nfs/dbraw/zinc/38/08/90/397380890.db2.gz IJYAGBMQMNEALW-SSDOTTSWSA-N 1 0 257.315 0.010 10 0 CCAERO CCS(=O)(=O)NCCC[N@@H+]1CCS[C@@H](C)C1 ZINC000132421114 397413786 /nfs/dbraw/zinc/41/37/86/397413786.db2.gz DWGADKSDSVMDGV-JTQLQIEISA-N 1 0 266.432 0.753 10 0 CCAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1nccnc1N ZINC000369425230 144268341 /nfs/dbraw/zinc/26/83/41/144268341.db2.gz WOCDZMSDTVGOJZ-MNOVXSKESA-N 1 0 275.356 0.758 10 0 CCAERO O=C(NCCC[NH+]1CCCC1)[C@H]1CC(F)(F)CN1 ZINC000369474699 144270403 /nfs/dbraw/zinc/27/04/03/144270403.db2.gz ZUNSWTNOWICVDP-SNVBAGLBSA-N 1 0 261.316 0.586 10 0 CCAERO C[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](C[NH+](C)C)C2)CCO1 ZINC000370343115 144298601 /nfs/dbraw/zinc/29/86/01/144298601.db2.gz YWEYZOZLGIYYHY-UPJWGTAASA-N 1 0 285.388 0.526 10 0 CCAERO CCN(C)C(=O)[C@@H](C)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000381350652 397487114 /nfs/dbraw/zinc/48/71/14/397487114.db2.gz MONFMDLZEOVDGS-GHMZBOCLSA-N 1 0 255.362 0.502 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCC(=O)NCC1CC1 ZINC000393076283 397513682 /nfs/dbraw/zinc/51/36/82/397513682.db2.gz OYQKRDWAJXZKNI-QWRGUYRKSA-N 1 0 253.346 0.004 10 0 CCAERO CCOCCN1CC[N@H+](C[C@@H](O)COC)C[C@H]1CC ZINC000126642917 286089192 /nfs/dbraw/zinc/08/91/92/286089192.db2.gz GLNJBCMVBGUHBC-ZIAGYGMSSA-N 1 0 274.405 0.426 10 0 CCAERO CCS(=O)(=O)C1(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000659379480 413462171 /nfs/dbraw/zinc/46/21/71/413462171.db2.gz IJSOQBIKCYUHLH-UWVGGRQHSA-N 1 0 274.386 0.197 10 0 CCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC(NC(C)=O)CC1 ZINC000122486957 411705775 /nfs/dbraw/zinc/70/57/75/411705775.db2.gz JBPLYULLEQAWMM-JOYOIKCWSA-N 1 0 255.362 0.487 10 0 CCAERO Cc1ccc(CNC(=O)Cn2cc(C[NH3+])nn2)cc1F ZINC000050224386 411676487 /nfs/dbraw/zinc/67/64/87/411676487.db2.gz URFKDAHUSJMOJW-UHFFFAOYSA-N 1 0 277.303 0.501 10 0 CCAERO CC1CCN(C(=O)Cn2cc(C(C)(C)[NH3+])nn2)CC1 ZINC000070118466 411690504 /nfs/dbraw/zinc/69/05/04/411690504.db2.gz IFXIYAVFCLIGIS-UHFFFAOYSA-N 1 0 265.361 0.730 10 0 CCAERO CCN(CC)C(=O)[C@H](C)n1cc(C(C)(C)[NH3+])nn1 ZINC000070118603 411690765 /nfs/dbraw/zinc/69/07/65/411690765.db2.gz SLWIRFXCHINDEX-VIFPVBQESA-N 1 0 253.350 0.901 10 0 CCAERO O=C(NCC[C@@H]1CCCO1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000071215533 411694758 /nfs/dbraw/zinc/69/47/58/411694758.db2.gz YGSGRPJRDUJCGO-LBPRGKRZSA-N 1 0 293.371 0.502 10 0 CCAERO CCOc1cc(N2CCO[C@@H]([C@@H](C)[NH3+])C2)ncn1 ZINC000132945252 411728304 /nfs/dbraw/zinc/72/83/04/411728304.db2.gz WBBFQPGIDDUTBY-NXEZZACHSA-N 1 0 252.318 0.428 10 0 CCAERO CC(C)Oc1cncc(N2CCO[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000132942981 411728436 /nfs/dbraw/zinc/72/84/36/411728436.db2.gz NSKLNXAUDQCGMN-MNOVXSKESA-N 1 0 266.345 0.816 10 0 CCAERO CCN(C)C(=O)[C@H](C)NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000300070127 411742564 /nfs/dbraw/zinc/74/25/64/411742564.db2.gz YYYKZVYGBSJEGJ-DCAQKATOSA-N 1 0 255.362 0.344 10 0 CCAERO C[C@H]1CN(Cc2nc(-c3ccccn3)no2)C[C@H]1[NH3+] ZINC000300088605 411742665 /nfs/dbraw/zinc/74/26/65/411742665.db2.gz OYKOYVXQDFYKMQ-VHSXEESVSA-N 1 0 259.313 0.911 10 0 CCAERO C[C@H]1SCC[C@H]1NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000310783506 411748196 /nfs/dbraw/zinc/74/81/96/411748196.db2.gz FYNOZRPZQPEUNT-GHMZBOCLSA-N 1 0 271.430 0.680 10 0 CCAERO CC(C)(C)[C@H](O)CN1C(=O)N[C@@]2(CCC[NH2+]C2)C1=O ZINC000311642890 411751540 /nfs/dbraw/zinc/75/15/40/411751540.db2.gz QIWGHTWJNVWLLS-NOZJJQNGSA-N 1 0 269.345 0.067 10 0 CCAERO C[C@@H]1CN(CC[N@@H+]2CCC[C@H](O)[C@H]2C)C[C@H](C)O1 ZINC000314608979 411756490 /nfs/dbraw/zinc/75/64/90/411756490.db2.gz OPRUWFYJKCAXEU-RQJABVFESA-N 1 0 256.390 0.941 10 0 CCAERO COc1cccc(S(=O)(=O)NC[C@H]2CC[NH2+]C2)c1 ZINC000130763329 411721682 /nfs/dbraw/zinc/72/16/82/411721682.db2.gz KQERVRROLOBPQX-JTQLQIEISA-N 1 0 270.354 0.583 10 0 CCAERO CO[C@H]1C[C@@H](CN(C)Cc2ccc(CO)o2)[N@H+](C)C1 ZINC000284475401 196064463 /nfs/dbraw/zinc/06/44/63/196064463.db2.gz ANJJURYLDJTLSG-FZMZJTMJSA-N 1 0 268.357 0.923 10 0 CCAERO CN1C(=O)c2ccc(NC(=O)[C@@H]3CCCC[NH2+]3)cc2C1=O ZINC000019412254 170789925 /nfs/dbraw/zinc/78/99/25/170789925.db2.gz KYRNCKBXFXMZSF-LBPRGKRZSA-N 1 0 287.319 0.993 10 0 CCAERO C[C@H]1CC[C@H](C(=O)Nc2cccc(S(N)(=O)=O)c2)C[NH2+]1 ZINC000019437164 170800677 /nfs/dbraw/zinc/80/06/77/170800677.db2.gz SSRZPMGHHIUQFL-UWVGGRQHSA-N 1 0 297.380 0.661 10 0 CCAERO COc1ccc(C[NH3+])cc1S(=O)(=O)N1CCN(C)CC1 ZINC000020189678 171056065 /nfs/dbraw/zinc/05/60/65/171056065.db2.gz HOQDMKCJIKREEJ-UHFFFAOYSA-N 1 0 299.396 0.090 10 0 CCAERO COc1cc([C@@H](O)C[NH3+])cc(Cl)c1OCC(N)=O ZINC000020216695 171079072 /nfs/dbraw/zinc/07/90/72/171079072.db2.gz FWSHVGURLCNKTG-QMMMGPOBSA-N 1 0 274.704 0.205 10 0 CCAERO CN(C)S(=O)(=O)N(CCC[NH3+])c1ccccc1F ZINC000020233054 171095123 /nfs/dbraw/zinc/09/51/23/171095123.db2.gz CIKYMEMUTLBCAG-UHFFFAOYSA-N 1 0 275.349 0.787 10 0 CCAERO CSc1ccc(NS(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000020247486 171101048 /nfs/dbraw/zinc/10/10/48/171101048.db2.gz VNLXUZYIMZBTKJ-UHFFFAOYSA-N 1 0 287.410 0.970 10 0 CCAERO [NH3+]Cc1cccc(NS(=O)(=O)N2CCCC2)c1 ZINC000020254521 171107113 /nfs/dbraw/zinc/10/71/13/171107113.db2.gz XLUFXLJUYLFOTR-UHFFFAOYSA-N 1 0 255.343 0.898 10 0 CCAERO CCN1CCC[C@@H]1C[NH2+][C@@H](C)C(=O)NCCOC ZINC000020316978 171147191 /nfs/dbraw/zinc/14/71/91/171147191.db2.gz LRBVOWOCMPIYQO-NWDGAFQWSA-N 1 0 257.378 0.211 10 0 CCAERO C[C@@H](Oc1cccc([C@H](C)[NH3+])c1)C(=O)NC(N)=O ZINC000020419777 171184847 /nfs/dbraw/zinc/18/48/47/171184847.db2.gz NNAIGSBTQFBTCJ-JGVFFNPUSA-N 1 0 251.286 0.669 10 0 CCAERO COc1cccc([C@H](CNC(=S)NN)[NH+](C)C)c1 ZINC000020426643 171192643 /nfs/dbraw/zinc/19/26/43/171192643.db2.gz RDUWYXGVFNVLHC-NSHDSACASA-N 1 0 268.386 0.636 10 0 CCAERO COc1ccc(C)cc1NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000020434173 171199857 /nfs/dbraw/zinc/19/98/57/171199857.db2.gz KUBLKNFZTLGASB-MWLCHTKSSA-N 1 0 250.298 0.665 10 0 CCAERO C[C@@H](O)C[NH2+]CCNCc1ccc2c(c1)OCCO2 ZINC000020876136 171277742 /nfs/dbraw/zinc/27/77/42/171277742.db2.gz WKRCDGCNUFSRIQ-LLVKDONJSA-N 1 0 266.341 0.518 10 0 CCAERO CNC(=O)CCC(=O)N1CCC[C@H](C[NH+]2CCCC2)C1 ZINC000020911179 171278842 /nfs/dbraw/zinc/27/88/42/171278842.db2.gz ULKANIHNJFBDDP-CYBMUJFWSA-N 1 0 281.400 0.847 10 0 CCAERO C[C@H]1CN(CC(=O)Nc2ccccc2C[NH3+])CCO1 ZINC000022155343 171361920 /nfs/dbraw/zinc/36/19/20/171361920.db2.gz ODVAFHNDGXIJKP-NSHDSACASA-N 1 0 263.341 0.805 10 0 CCAERO C[C@@H](C(=O)Nc1cccc(C[NH3+])c1)N1CCC(O)CC1 ZINC000022167173 171366110 /nfs/dbraw/zinc/36/61/10/171366110.db2.gz DQAYHNZMSPXLQI-NSHDSACASA-N 1 0 277.368 0.929 10 0 CCAERO C[C@@]1(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CCOC1 ZINC000653089736 412214456 /nfs/dbraw/zinc/21/44/56/412214456.db2.gz SEAVKDPGUUQZQO-KKZNHRDASA-N 1 0 280.290 0.927 10 0 CCAERO C[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)c1cnn(C)c1 ZINC000653089106 412214607 /nfs/dbraw/zinc/21/46/07/412214607.db2.gz XIRQWZFFKWQYFH-SZEHBUNVSA-N 1 0 290.289 0.995 10 0 CCAERO C[C@H](CCCO)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653092359 412215222 /nfs/dbraw/zinc/21/52/22/412215222.db2.gz ZVRJVMISRXTNSZ-IWSPIJDZSA-N 1 0 268.279 0.662 10 0 CCAERO Cn1cc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)cn1 ZINC000653071589 412208806 /nfs/dbraw/zinc/20/88/06/412208806.db2.gz LOLDDBFEANPLQC-HTQZYQBOSA-N 1 0 262.235 0.757 10 0 CCAERO O=C(NCCCn1ccnc1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653105413 412220546 /nfs/dbraw/zinc/22/05/46/412220546.db2.gz UTMDUHJQTDRKJT-NXEZZACHSA-N 1 0 290.289 0.787 10 0 CCAERO C[C@@H](Cn1cccn1)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653125543 412231977 /nfs/dbraw/zinc/23/19/77/412231977.db2.gz DNPYIBCASROVAG-IVZWLZJFSA-N 1 0 290.289 0.786 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc2ccncc2c1 ZINC000653138840 412238354 /nfs/dbraw/zinc/23/83/54/412238354.db2.gz LTCRGUSIGKXZJE-ZIAGYGMSSA-N 1 0 271.320 0.545 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1CCc2ccccc2C1 ZINC000653138628 412238399 /nfs/dbraw/zinc/23/83/99/412238399.db2.gz CYWZEJVNZSEEEA-KKUMJFAQSA-N 1 0 274.364 0.488 10 0 CCAERO [NH3+]CCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000035206622 172051096 /nfs/dbraw/zinc/05/10/96/172051096.db2.gz IXCHDHTZBPHHNQ-UHFFFAOYSA-N 1 0 276.383 0.270 10 0 CCAERO CCNC(=O)COc1c(C[NH2+]C)cccc1OC ZINC000035413553 172185925 /nfs/dbraw/zinc/18/59/25/172185925.db2.gz CGEBELLJFIIPGK-UHFFFAOYSA-N 1 0 252.314 0.930 10 0 CCAERO CC(=O)N1CCN(c2nc3sccn3c2C[NH3+])CC1 ZINC000035429841 172198091 /nfs/dbraw/zinc/19/80/91/172198091.db2.gz DNNJSGNDLPZPDY-UHFFFAOYSA-N 1 0 279.369 0.523 10 0 CCAERO C[NH2+][C@H](C)c1cccc(S(=O)(=O)NCCOC)c1 ZINC000035632838 172315733 /nfs/dbraw/zinc/31/57/33/172315733.db2.gz PBKSQBFJYFRBQD-SNVBAGLBSA-N 1 0 272.370 0.892 10 0 CCAERO C[C@H](NS(=O)(=O)N1CC[NH2+]CC1)c1ccco1 ZINC000035739674 172394070 /nfs/dbraw/zinc/39/40/70/172394070.db2.gz NWPKJBACKJTYPV-VIFPVBQESA-N 1 0 259.331 0.080 10 0 CCAERO C[NH+](C)C1CCN(S(=O)(=O)c2ccccc2NN)CC1 ZINC000036192898 172504953 /nfs/dbraw/zinc/50/49/53/172504953.db2.gz SSIOEWKGKKNPMI-UHFFFAOYSA-N 1 0 298.412 0.687 10 0 CCAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ccc(=O)oc3)C[C@@H]2C1 ZINC000036262080 172555236 /nfs/dbraw/zinc/55/52/36/172555236.db2.gz PAEOMBMSUJSMBU-ADEWGFFLSA-N 1 0 262.309 0.839 10 0 CCAERO CC(C)NS(=O)(=O)c1ccc(N[C@@H]2C[C@@H]2[NH3+])cc1 ZINC000036268041 172563251 /nfs/dbraw/zinc/56/32/51/172563251.db2.gz LPCKWPOXUWSBMH-NWDGAFQWSA-N 1 0 269.370 0.885 10 0 CCAERO CC(C)(C)NC(=O)C[NH2+]C1CCS(=O)(=O)CC1 ZINC000036331940 172616571 /nfs/dbraw/zinc/61/65/71/172616571.db2.gz DJOYLGULENJWGX-UHFFFAOYSA-N 1 0 262.375 0.068 10 0 CCAERO CNC(=O)[C@@H](C)N(CCC[NH3+])c1ccccc1OC ZINC000037298748 173103265 /nfs/dbraw/zinc/10/32/65/173103265.db2.gz OJCUJXBPJBUDMP-LLVKDONJSA-N 1 0 265.357 0.985 10 0 CCAERO C[NH2+]C1CCN([C@@H](C)C(=O)NCc2ccco2)CC1 ZINC000037536893 173255838 /nfs/dbraw/zinc/25/58/38/173255838.db2.gz DZHURHZNFWBDQY-NSHDSACASA-N 1 0 265.357 0.968 10 0 CCAERO CNC(=O)COc1cccc(NC(=O)C[C@H](C)[NH3+])c1 ZINC000037608048 173555960 /nfs/dbraw/zinc/55/59/60/173555960.db2.gz NCHFVPDEOSPPHW-VIFPVBQESA-N 1 0 265.313 0.487 10 0 CCAERO COc1ccc(OCCS(C)(=O)=O)c(CC[NH3+])c1 ZINC000037744196 173666069 /nfs/dbraw/zinc/66/60/69/173666069.db2.gz JUCYAVINCMMQTP-UHFFFAOYSA-N 1 0 273.354 0.620 10 0 CCAERO C[C@H](CN1CCCC1=O)[NH2+]C1CCS(=O)(=O)CC1 ZINC000037782728 173713477 /nfs/dbraw/zinc/71/34/77/173713477.db2.gz PXPYYYCOEUUNMD-SNVBAGLBSA-N 1 0 274.386 0.164 10 0 CCAERO C[C@@H](C[NH2+][C@@H]1CCS(=O)(=O)C1)N1CCCCC1 ZINC000038029182 174019128 /nfs/dbraw/zinc/01/91/28/174019128.db2.gz KFRFDSOXNLGADH-NWDGAFQWSA-N 1 0 260.403 0.638 10 0 CCAERO CN(CC(=O)N1CC[NH2+]CC1)Cc1nnc(C(C)(C)C)o1 ZINC000038031483 174026007 /nfs/dbraw/zinc/02/60/07/174026007.db2.gz VDHVWHBBJCUMIP-UHFFFAOYSA-N 1 0 295.387 0.231 10 0 CCAERO CCN(CCC[NH2+][C@@H]1CCC[C@@H]1O)S(C)(=O)=O ZINC000038035726 174034223 /nfs/dbraw/zinc/03/42/23/174034223.db2.gz BFQGDQKYRMWMPZ-MNOVXSKESA-N 1 0 264.391 0.161 10 0 CCAERO c1nc(-c2noc([C@H]3CCCN3C3CC[NH2+]CC3)n2)n[nH]1 ZINC000038042509 174046403 /nfs/dbraw/zinc/04/64/03/174046403.db2.gz XHXTXAQPNWTWCX-SNVBAGLBSA-N 1 0 289.343 0.744 10 0 CCAERO C[C@@H]([NH2+]C[C@H]1CCCOC1)C(=O)N1CCOCC1 ZINC000038045767 174053746 /nfs/dbraw/zinc/05/37/46/174053746.db2.gz NPWDLTJUGCKJBP-VXGBXAGGSA-N 1 0 256.346 0.250 10 0 CCAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+]CCCS(C)(=O)=O ZINC000038048141 174058560 /nfs/dbraw/zinc/05/85/60/174058560.db2.gz BNGHGOKFVWRZJA-SNVBAGLBSA-N 1 0 278.418 0.704 10 0 CCAERO NC(=O)c1cccc(C(=O)N[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000038049585 174060457 /nfs/dbraw/zinc/06/04/57/174060457.db2.gz RCJIGCFITQWTCN-RYUDHWBXSA-N 1 0 261.325 0.785 10 0 CCAERO Cc1cc(CS(=O)(=O)N[C@H]2CCCC[C@H]2[NH3+])no1 ZINC000038050415 174061905 /nfs/dbraw/zinc/06/19/05/174061905.db2.gz YLNYWQSWUFYRLI-MNOVXSKESA-N 1 0 273.358 0.672 10 0 CCAERO COc1ccc([C@@H]([NH3+])C(N)=O)cc1Br ZINC000038052249 174064125 /nfs/dbraw/zinc/06/41/25/174064125.db2.gz MFQAYRKIOZLZLI-MRVPVSSYSA-N 1 0 259.103 0.943 10 0 CCAERO NC(=O)c1ccccc1C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000038084180 174094540 /nfs/dbraw/zinc/09/45/40/174094540.db2.gz WBFFQHJOQJLECD-JTQLQIEISA-N 1 0 282.365 0.310 10 0 CCAERO C[C@@H](CNC(=O)[C@H]1CNc2ccccc2O1)[NH+](C)C ZINC000038089298 174102493 /nfs/dbraw/zinc/10/24/93/174102493.db2.gz AUCRNXMYCYXSBZ-GXFFZTMASA-N 1 0 263.341 0.926 10 0 CCAERO CCN(CC)C(=O)[C@H](C)[NH2+]C1CCC(C(N)=O)CC1 ZINC000038091942 174105802 /nfs/dbraw/zinc/10/58/02/174105802.db2.gz NWPSIRDNLHPPDH-UNXYVOJBSA-N 1 0 269.389 0.877 10 0 CCAERO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)Cc1ccco1 ZINC000038092764 174107070 /nfs/dbraw/zinc/10/70/70/174107070.db2.gz RPSSNHMPLVZPPO-BDAKNGLRSA-N 1 0 253.302 0.644 10 0 CCAERO CC(C)N1C(=O)C[C@H]([NH2+]CC[C@H]2CCCO2)C1=O ZINC000038096518 174110838 /nfs/dbraw/zinc/11/08/38/174110838.db2.gz VRUNYRKKYJUEGD-MNOVXSKESA-N 1 0 254.330 0.681 10 0 CCAERO CCCN(CC(=O)NC)C(=O)CCC[NH2+]C(C)C ZINC000038101039 174116341 /nfs/dbraw/zinc/11/63/41/174116341.db2.gz NMEVXAABBQLKIR-UHFFFAOYSA-N 1 0 257.378 0.749 10 0 CCAERO NS(=O)(=O)c1ccccc1NC(=O)CCC[NH3+] ZINC000039152449 174164494 /nfs/dbraw/zinc/16/44/94/174164494.db2.gz ZCYXIXPMTDZEFZ-UHFFFAOYSA-N 1 0 257.315 0.011 10 0 CCAERO O=C(OCc1ccccc1)N1CC[NH2+]C[C@@H]1CO ZINC000039952226 174176894 /nfs/dbraw/zinc/17/68/94/174176894.db2.gz DUSWOUMCIHZHBH-GFCCVEGCSA-N 1 0 250.298 0.589 10 0 CCAERO COC(=O)CSc1nnc(N)n1CCC[NH+](C)C ZINC000040173950 174200201 /nfs/dbraw/zinc/20/02/01/174200201.db2.gz WHDCRCFPFZVEGH-UHFFFAOYSA-N 1 0 273.362 0.077 10 0 CCAERO COc1ccc(CNc2nc[nH+]c(NN)c2N)cc1 ZINC000040753864 174396281 /nfs/dbraw/zinc/39/62/81/174396281.db2.gz HOSBCRXZSPRXCV-UHFFFAOYSA-N 1 0 260.301 0.965 10 0 CCAERO CC(C)S(=O)(=O)CCCN(C)CC(C)(C)[NH3+] ZINC000662292717 414707648 /nfs/dbraw/zinc/70/76/48/414707648.db2.gz KKCLHLDIBUODAC-UHFFFAOYSA-N 1 0 250.408 0.869 10 0 CCAERO CCn1c(C)nnc1CN(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662333390 414710850 /nfs/dbraw/zinc/71/08/50/414710850.db2.gz XRXUZUQNCAUYPV-QMMMGPOBSA-N 1 0 265.283 0.928 10 0 CCAERO Cn1cc(Br)c(C(=O)NC[C@H]2CC[NH2+]C2)n1 ZINC000662765475 414775127 /nfs/dbraw/zinc/77/51/27/414775127.db2.gz GMFHHLPDXMHFCQ-ZETCQYMHSA-N 1 0 287.161 0.522 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000662711442 414745046 /nfs/dbraw/zinc/74/50/46/414745046.db2.gz NEEXFJOZNVMNCW-CYDGBPFRSA-N 1 0 252.358 0.869 10 0 CCAERO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCC(C2CCC2)CC1 ZINC000662857817 414848302 /nfs/dbraw/zinc/84/83/02/414848302.db2.gz QHDQUNSSDOZSBJ-CHWSQXEVSA-N 1 0 252.358 0.748 10 0 CCAERO Cc1ncoc1C(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662984106 414933948 /nfs/dbraw/zinc/93/39/48/414933948.db2.gz NIVRETKZRMMMEN-ZCFIWIBFSA-N 1 0 251.208 0.945 10 0 CCAERO 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262.300 0.867 10 0 CCAERO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2c[nH]nc2N)C1 ZINC000045140618 175315739 /nfs/dbraw/zinc/31/57/39/175315739.db2.gz GAAHLEPEZQWJRP-SECBINFHSA-N 1 0 251.334 0.452 10 0 CCAERO C[NH2+]C[C@@H]1CCN(S(=O)(=O)C2CCOCC2)C1 ZINC000071144489 176041449 /nfs/dbraw/zinc/04/14/49/176041449.db2.gz ATJQNRNKNWVPEC-JTQLQIEISA-N 1 0 262.375 0.037 10 0 CCAERO COC[C@H](C)CNS(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000071244256 176094847 /nfs/dbraw/zinc/09/48/47/176094847.db2.gz GOOXYSLLPOGNIP-SECBINFHSA-N 1 0 290.360 0.845 10 0 CCAERO CN(c1ccc(S(N)(=O)=O)cc1)[C@@H]1CC[NH2+]C1 ZINC000071311811 176118734 /nfs/dbraw/zinc/11/87/34/176118734.db2.gz KXYHTOHRBNVXCQ-SNVBAGLBSA-N 1 0 255.343 0.132 10 0 CCAERO CCN(CC(=O)N[C@@H](C(C)=O)C(C)C)[C@@H]1CC[NH2+]C1 ZINC000071313543 176120147 /nfs/dbraw/zinc/12/01/47/176120147.db2.gz VJWDBEZBZPMXQN-TZMCWYRMSA-N 1 0 269.389 0.400 10 0 CCAERO CCN([C@@H](C)C(=O)NCCCOC)[C@H]1CC[NH2+]C1 ZINC000071314047 176120448 /nfs/dbraw/zinc/12/04/48/176120448.db2.gz GYQMVBTUVUTAHH-RYUDHWBXSA-N 1 0 257.378 0.211 10 0 CCAERO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cc[nH]c1 ZINC000071330619 176124454 /nfs/dbraw/zinc/12/44/54/176124454.db2.gz MSAGWHOZXNLEHP-JTQLQIEISA-N 1 0 257.359 0.777 10 0 CCAERO O=C(OCc1ccccc1)N1CCC[NH2+]C[C@H]1CO ZINC000071864355 176280966 /nfs/dbraw/zinc/28/09/66/176280966.db2.gz GFZCPRKDTCJTAV-ZDUSSCGKSA-N 1 0 264.325 0.979 10 0 CCAERO CC(C)(C)OC(=O)NCCc1nnc(CC[NH3+])[nH]1 ZINC000072236553 176345493 /nfs/dbraw/zinc/34/54/93/176345493.db2.gz KBBRKJVIRAVFKV-UHFFFAOYSA-N 1 0 255.322 0.373 10 0 CCAERO C[NH2+]CCN(C)CCc1ccc2oc(=O)n(C)c2c1 ZINC000076362650 177002890 /nfs/dbraw/zinc/00/28/90/177002890.db2.gz NGMLEDKNIAGVEC-UHFFFAOYSA-N 1 0 263.341 0.825 10 0 CCAERO CC[C@@H](C[NH3+])CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000076675202 177055491 /nfs/dbraw/zinc/05/54/91/177055491.db2.gz WQKIEPDGUCRIPT-NXEZZACHSA-N 1 0 262.375 0.007 10 0 CCAERO CCCCOC[C@@H](O)C[NH2+][C@@H](C)CS(C)(=O)=O ZINC000227893277 269747914 /nfs/dbraw/zinc/74/79/14/269747914.db2.gz SHLQXRSXFGUUAR-QWRGUYRKSA-N 1 0 267.391 0.187 10 0 CCAERO CS(=O)(=O)N1CC[C@@H]([NH3+])[C@@H](C(F)(F)F)CC1 ZINC000685945930 545871782 /nfs/dbraw/zinc/87/17/82/545871782.db2.gz GQMFCZGUCBQELT-NKWVEPMBSA-N 1 0 260.281 0.548 10 0 CCAERO CCS(=O)(=O)N1CCOC2(CCC([NH3+])CC2)C1 ZINC000725244276 545873255 /nfs/dbraw/zinc/87/32/55/545873255.db2.gz RAXMQFZIFMUWMQ-UHFFFAOYSA-N 1 0 262.375 0.308 10 0 CCAERO C[C@@H]([NH3+])[C@H](c1cccnc1)n1cc(S(C)(=O)=O)cn1 ZINC000725252887 545878104 /nfs/dbraw/zinc/87/81/04/545878104.db2.gz PJXVNJZZKCWZLP-BXKDBHETSA-N 1 0 280.353 0.618 10 0 CCAERO CS(=O)(=O)c1cnn([C@H](C[NH3+])c2cccs2)c1 ZINC000725253182 545878556 /nfs/dbraw/zinc/87/85/56/545878556.db2.gz RDNRRCHKVCWLKG-SECBINFHSA-N 1 0 271.367 0.896 10 0 CCAERO C[C@@H]1C[NH2+]CCN1[C@H]1CC(=O)N[C@@H](C(F)(F)F)C1 ZINC000725263037 545883910 /nfs/dbraw/zinc/88/39/10/545883910.db2.gz FUNXLXVICRCRRP-IWSPIJDZSA-N 1 0 265.279 0.490 10 0 CCAERO O=C1C[C@@H]([NH+]2CCC(O)CC2)C[C@H](C(F)(F)F)N1 ZINC000725263253 545883010 /nfs/dbraw/zinc/88/30/10/545883010.db2.gz ZUCMWSVADJNKQM-IONNQARKSA-N 1 0 266.263 0.653 10 0 CCAERO CCCCS(=O)(=O)N1CC2(C[NH2+]C2)C(F)(F)C1 ZINC000725264930 545885248 /nfs/dbraw/zinc/88/52/48/545885248.db2.gz XCNHJKLHHBWQIJ-UHFFFAOYSA-N 1 0 268.329 0.657 10 0 CCAERO COC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCO[C@]23CCOC3)C1 ZINC000725269155 545886707 /nfs/dbraw/zinc/88/67/07/545886707.db2.gz MSSFNPHMCRCBBR-BZPMIXESSA-N 1 0 269.341 0.819 10 0 CCAERO CC(C)(C)NC(=O)N[C@@H]1CCOC12CC[NH2+]CC2 ZINC000725269204 545886758 /nfs/dbraw/zinc/88/67/58/545886758.db2.gz GAOHDENHTIZAJN-SNVBAGLBSA-N 1 0 255.362 0.995 10 0 CCAERO CC(C)(C)[NH2+]CC[C@@H](CO)[C@H]1CCS(=O)(=O)C1 ZINC000725267149 545887001 /nfs/dbraw/zinc/88/70/01/545887001.db2.gz SXOUEVWARRPKLU-QWRGUYRKSA-N 1 0 263.403 0.808 10 0 CCAERO CCS(=O)(=O)N1C[C@H](C)OC2(CC[NH2+]CC2)C1 ZINC000725271951 545888538 /nfs/dbraw/zinc/88/85/38/545888538.db2.gz KRUZIJLGVIEWAI-JTQLQIEISA-N 1 0 262.375 0.179 10 0 CCAERO COCCS(=O)(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000189134627 292614711 /nfs/dbraw/zinc/61/47/11/292614711.db2.gz ULTKFGYGXMQDPU-LLVKDONJSA-N 1 0 266.407 0.529 10 0 CCAERO C[NH2+][C@H](C)C(=O)Nc1ccc(OCCC(N)=O)cc1 ZINC000054073089 544442188 /nfs/dbraw/zinc/44/21/88/544442188.db2.gz XESJJYMMBODWLF-SECBINFHSA-N 1 0 265.313 0.487 10 0 CCAERO O=C(C[C@H]1CCC[NH2+]C1)N1CCN(C[C@H]2CCCO2)CC1 ZINC000054307689 544443212 /nfs/dbraw/zinc/44/32/12/544443212.db2.gz UAVAWCXYCGNEGS-HUUCEWRRSA-N 1 0 295.427 0.699 10 0 CCAERO C[C@H](C[NH2+][C@@H](C)c1ccnn1C)N1CCOCC1 ZINC000192634579 228202348 /nfs/dbraw/zinc/20/23/48/228202348.db2.gz DQXGTSXSVCIXGL-NEPJUHHUSA-N 1 0 252.362 0.791 10 0 CCAERO NC(=O)COc1cccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000089453086 544512893 /nfs/dbraw/zinc/51/28/93/544512893.db2.gz JAEVXRQBRNZTTM-GWCFXTLKSA-N 1 0 291.351 0.864 10 0 CCAERO CC(C)NC(=O)CN(C)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089455523 544513395 /nfs/dbraw/zinc/51/33/95/544513395.db2.gz WDWFRJMCXVOQIX-WDEREUQCSA-N 1 0 255.362 0.344 10 0 CCAERO CN(Cc1cnn(C)c1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089455449 544513713 /nfs/dbraw/zinc/51/37/13/544513713.db2.gz PAAIJWKOZJLUQO-RYUDHWBXSA-N 1 0 250.346 0.754 10 0 CCAERO CC(=O)N1CCCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089460747 544514663 /nfs/dbraw/zinc/51/46/63/544514663.db2.gz IAFLIBSPHRDYOL-STQMWFEESA-N 1 0 267.373 0.442 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCN(c2cnccn2)CC1 ZINC000089457354 544515030 /nfs/dbraw/zinc/51/50/30/544515030.db2.gz BZBLUINQDRNUPQ-QWHCGFSZSA-N 1 0 289.383 0.500 10 0 CCAERO CN(CC[NH+](C)C)S(=O)(=O)Cc1cccc(N)c1 ZINC000111130600 544561036 /nfs/dbraw/zinc/56/10/36/544561036.db2.gz JPPYWAQWBXRQHG-UHFFFAOYSA-N 1 0 271.386 0.592 10 0 CCAERO Cc1cc(NC(=O)CN2C[C@@H](C)[C@@H](C[NH3+])C2)no1 ZINC000631843269 419491457 /nfs/dbraw/zinc/49/14/57/419491457.db2.gz LNZROYPNHWZZLH-SCZZXKLOSA-N 1 0 252.318 0.448 10 0 CCAERO C[NH2+]CCOCCNc1nccn2c(C)nnc12 ZINC000630530666 419464666 /nfs/dbraw/zinc/46/46/66/419464666.db2.gz OGBNCXGNOBMUNK-UHFFFAOYSA-N 1 0 250.306 0.081 10 0 CCAERO CC(C)NC(=O)CCNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000135362176 544634763 /nfs/dbraw/zinc/63/47/63/544634763.db2.gz QCOSWJBUBQJIBT-MNOVXSKESA-N 1 0 255.362 0.392 10 0 CCAERO CN(CC(=O)N1CCCC1)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000136150062 544636879 /nfs/dbraw/zinc/63/68/79/544636879.db2.gz JVDGIXMVWPZXCH-AWEZNQCLSA-N 1 0 267.373 0.599 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000136325211 544638030 /nfs/dbraw/zinc/63/80/30/544638030.db2.gz NVGVGNVVXIJCLP-SNVBAGLBSA-N 1 0 285.369 0.797 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCN(C(=O)N(C)C)CC1 ZINC000136400099 544638734 /nfs/dbraw/zinc/63/87/34/544638734.db2.gz LKAOBLVJWAYESL-LLVKDONJSA-N 1 0 270.377 0.186 10 0 CCAERO Cc1nc2c([nH]1)C[C@H](C(=O)N(CCO)C1CC1)CC2 ZINC000164961968 544721605 /nfs/dbraw/zinc/72/16/05/544721605.db2.gz KRJWRSRCBLZJMX-SNVBAGLBSA-N 1 0 263.341 0.806 10 0 CCAERO CC[C@@H]1CN(C(=O)c2ccc(C[NH3+])o2)CCN1C[C@@H](C)O ZINC000168005138 544729099 /nfs/dbraw/zinc/72/90/99/544729099.db2.gz QKIWAHCOCQBBPE-VXGBXAGGSA-N 1 0 295.383 0.656 10 0 CCAERO CN1CCO[C@@H](C[NH2+]Cc2ccc(CO)cc2)C1 ZINC000163432629 544715660 /nfs/dbraw/zinc/71/56/60/544715660.db2.gz SGEWRARESWNCDL-AWEZNQCLSA-N 1 0 250.342 0.599 10 0 CCAERO CCc1nn(C)cc1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000179779421 544753507 /nfs/dbraw/zinc/75/35/07/544753507.db2.gz YCCJJTCGDLRXTJ-CQSZACIVSA-N 1 0 278.400 0.889 10 0 CCAERO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@H](C)N1CCOCC1 ZINC000182277793 544762422 /nfs/dbraw/zinc/76/24/22/544762422.db2.gz KRWJOXGPVJIQKZ-VXGBXAGGSA-N 1 0 278.418 0.120 10 0 CCAERO C[C@@H](CNC(=O)CCCCc1c[nH]nn1)N1CCOCC1 ZINC000184644969 544773592 /nfs/dbraw/zinc/77/35/92/544773592.db2.gz RQZPLURKLHBVNZ-LBPRGKRZSA-N 1 0 295.387 0.354 10 0 CCAERO O=C(N[C@@H]1CCC[C@H](O)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000223761068 544826715 /nfs/dbraw/zinc/82/67/15/544826715.db2.gz HVGXFBVJPPCNOZ-WCABBAIRSA-N 1 0 280.290 0.948 10 0 CCAERO CC(=O)N[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000228254056 544842426 /nfs/dbraw/zinc/84/24/26/544842426.db2.gz LHFZAAPKHVXCDH-QJPTWQEYSA-N 1 0 253.346 0.241 10 0 CCAERO Cc1cnc([C@H](C)NC(=O)C[C@H]2COCC[NH2+]2)o1 ZINC000231744532 544859930 /nfs/dbraw/zinc/85/99/30/544859930.db2.gz XGETZLMCMOHPLR-UWVGGRQHSA-N 1 0 253.302 0.539 10 0 CCAERO C[C@H]([NH2+]C[C@H](O)COC[C@H]1CCCO1)[C@@H]1CCCO1 ZINC000249683356 544920463 /nfs/dbraw/zinc/92/04/63/544920463.db2.gz HZEHSCZYJHDXSK-FQUUOJAGSA-N 1 0 273.373 0.700 10 0 CCAERO CNC(=O)[C@@H]1CCCCN1C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000250400857 544922847 /nfs/dbraw/zinc/92/28/47/544922847.db2.gz SKBPUHYHUVSVEI-SRVKXCTJSA-N 1 0 267.373 0.489 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cccc2c1CCCN2 ZINC000262091021 544939203 /nfs/dbraw/zinc/93/92/03/544939203.db2.gz CZOYJPPVHHOION-HZMBPMFUSA-N 1 0 275.352 0.355 10 0 CCAERO O[C@@H]1C[NH2+]C[C@H]1CNCc1ccccc1OC(F)F ZINC000262153492 544941574 /nfs/dbraw/zinc/94/15/74/544941574.db2.gz RPCJABJRNZEKNC-GHMZBOCLSA-N 1 0 272.295 0.958 10 0 CCAERO Cn1cc([C@@H]2CCCN2C[C@H]2C[NH2+]CCO2)cn1 ZINC000311129854 545012346 /nfs/dbraw/zinc/01/23/46/545012346.db2.gz WHNCHXXKGOKQQQ-OLZOCXBDSA-N 1 0 250.346 0.545 10 0 CCAERO CCOc1cc(N2CCCO[C@@H](C[NH3+])C2)nc(C)n1 ZINC000313353949 545013995 /nfs/dbraw/zinc/01/39/95/545013995.db2.gz MNNMWSGPNLMFRQ-NSHDSACASA-N 1 0 266.345 0.738 10 0 CCAERO C[C@@H]1OCC[C@H]1NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000332774098 545033225 /nfs/dbraw/zinc/03/32/25/545033225.db2.gz KJBHGZLETUNCTG-BFHYXJOUSA-N 1 0 297.399 0.528 10 0 CCAERO CC1(C)C[C@@H]1NC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000333253181 545038941 /nfs/dbraw/zinc/03/89/41/545038941.db2.gz CVNNXIHCQPBDSM-NSHDSACASA-N 1 0 290.371 0.806 10 0 CCAERO O=C(NC[C@@H]1CCC[NH2+]1)N[C@H]1CCO[C@@H]1C1CC1 ZINC000333619084 545040781 /nfs/dbraw/zinc/04/07/81/545040781.db2.gz RJGAXRXKFZPPOH-SDDRHHMPSA-N 1 0 253.346 0.605 10 0 CCAERO Cc1cnn(CCNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])c1 ZINC000399715742 269768107 /nfs/dbraw/zinc/76/81/07/269768107.db2.gz GOWBHOVEGFRGNY-VXGBXAGGSA-N 1 0 252.362 0.927 10 0 CCAERO O=C([C@H]1CCn2ccnc2C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178800519 275009027 /nfs/dbraw/zinc/00/90/27/275009027.db2.gz MALKMEBLEVJFDA-QWHCGFSZSA-N 1 0 274.368 0.752 10 0 CCAERO O=c1[nH]c(N2CC[NH2+]CC2)nc2ccc(Cl)cc12 ZINC000040351878 275042171 /nfs/dbraw/zinc/04/21/71/275042171.db2.gz HHIOIBSVPLOEPP-UHFFFAOYSA-N 1 0 264.716 0.986 10 0 CCAERO CC1(C)CCC[NH2+][C@H]1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000232925072 275816383 /nfs/dbraw/zinc/81/63/83/275816383.db2.gz JQHXOABGMHNMFP-KGLIPLIRSA-N 1 0 295.427 0.698 10 0 CCAERO CC(C)(C)[C@@H]1CCN(C(=O)NC2C[NH2+]C2)C[C@@H]1O ZINC000335377899 275836646 /nfs/dbraw/zinc/83/66/46/275836646.db2.gz KWQQDPCFIVZCGR-MNOVXSKESA-N 1 0 255.362 0.397 10 0 CCAERO CCC[C@H](C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1)[NH+](C)C ZINC000245930695 276281467 /nfs/dbraw/zinc/28/14/67/276281467.db2.gz YILFRGJIIYPGDK-MELADBBJSA-N 1 0 285.432 0.630 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCc3ncnn3C2)C1 ZINC000112745418 276368840 /nfs/dbraw/zinc/36/88/40/276368840.db2.gz VHIATZFVNPCAFA-VXGBXAGGSA-N 1 0 292.387 0.376 10 0 CCAERO C[C@@H]1CN(C(=O)N2CCn3ccnc3C2)C[C@@]1(C)C[NH3+] ZINC000334939330 287897720 /nfs/dbraw/zinc/89/77/20/287897720.db2.gz FYJIHBSAYMUXSI-BXUZGUMPSA-N 1 0 277.372 0.735 10 0 CCAERO CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000334230992 277014391 /nfs/dbraw/zinc/01/43/91/277014391.db2.gz KSPSBSJXKICBGT-WDEREUQCSA-N 1 0 271.386 0.070 10 0 CCAERO C[N@@H+]1CCC[C@H]1CNC(=O)NC1CCC(O)CC1 ZINC000194798472 277080052 /nfs/dbraw/zinc/08/00/52/277080052.db2.gz TVSCMAWZFDUTCK-CXQJBGSLSA-N 1 0 255.362 0.683 10 0 CCAERO C[NH2+]CCN(C)C(=O)c1cccc2c1OCC(=O)N2 ZINC000237361884 277270372 /nfs/dbraw/zinc/27/03/72/277270372.db2.gz OMKLKSLWRAHIQI-UHFFFAOYSA-N 1 0 263.297 0.309 10 0 CCAERO COC(=O)C[C@H](CC(N)=O)[NH2+]Cc1ccccc1 ZINC000036406265 277328423 /nfs/dbraw/zinc/32/84/23/277328423.db2.gz CCECXVZBMISRGB-NSHDSACASA-N 1 0 250.298 0.583 10 0 CCAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCN(C)C1=O ZINC000157709490 277393465 /nfs/dbraw/zinc/39/34/65/277393465.db2.gz HCSYFZGTWQRGJF-OLZOCXBDSA-N 1 0 296.415 0.637 10 0 CCAERO C[C@@H]1CCc2nc(NC(=O)CNC(=O)C[NH3+])sc2C1 ZINC000262639533 277807348 /nfs/dbraw/zinc/80/73/48/277807348.db2.gz HKQDAHRXBWNFNL-SSDOTTSWSA-N 1 0 282.369 0.281 10 0 CCAERO CC(=O)N1CCC2(CCN(C(=O)[C@@H](C)[NH3+])C2)CC1 ZINC000095088847 277984590 /nfs/dbraw/zinc/98/45/90/277984590.db2.gz PPXNYCVZILMZIQ-SNVBAGLBSA-N 1 0 253.346 0.195 10 0 CCAERO C[C@@H]1C[C@H](C[N@@H+]2CCC[C@](O)(C(N)=O)C2)CCO1 ZINC000408039844 278011314 /nfs/dbraw/zinc/01/13/14/278011314.db2.gz ZIKYXJNAYRWCCN-NQBHXWOUSA-N 1 0 256.346 0.114 10 0 CCAERO C[C@@H]([NH3+])CC(=O)N[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000261899693 278305615 /nfs/dbraw/zinc/30/56/15/278305615.db2.gz UVNISPDNASBINR-MWLCHTKSSA-N 1 0 282.365 0.759 10 0 CCAERO C[C@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)CCS1 ZINC000334517626 278392225 /nfs/dbraw/zinc/39/22/25/278392225.db2.gz BIDOPBGSPVGQNH-QWRGUYRKSA-N 1 0 285.413 0.113 10 0 CCAERO CC[N@H+](CC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1)C1CC1 ZINC000153117048 279052629 /nfs/dbraw/zinc/05/26/29/279052629.db2.gz IWOIEELBWLEPBK-UKRRQHHQSA-N 1 0 295.427 0.650 10 0 CCAERO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)[C@H]1CCO[C@@H](C)C1 ZINC000408124718 279112922 /nfs/dbraw/zinc/11/29/22/279112922.db2.gz SCMSEBPMVGGUQK-RFQIPJPRSA-N 1 0 284.400 0.715 10 0 CCAERO CC[C@H](O)C[NH+]1CCN([C@@H](C)CN2CCOCC2)CC1 ZINC000180479833 288111782 /nfs/dbraw/zinc/11/17/82/288111782.db2.gz PBVQZZLLNNMCPW-GJZGRUSLSA-N 1 0 285.432 0.096 10 0 CCAERO CC(C)N(C)C(=O)[C@@H](C)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193616382 279338819 /nfs/dbraw/zinc/33/88/19/279338819.db2.gz PCBISVOWTDWRCZ-UPJWGTAASA-N 1 0 253.390 0.735 10 0 CCAERO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CCc2nnnn2CC1 ZINC000333629275 288125466 /nfs/dbraw/zinc/12/54/66/288125466.db2.gz ARSULURSRGJGPX-MDZLAQPJSA-N 1 0 276.388 0.450 10 0 CCAERO NC(=O)[C@H]1CCCCN1C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000408214550 279588226 /nfs/dbraw/zinc/58/82/26/279588226.db2.gz OBTLKYMEMDZHAA-OLZOCXBDSA-N 1 0 279.384 0.727 10 0 CCAERO CCO[C@@H]1C[C@@H](O)C12CC[NH+]([C@@H]1COC[C@@H]1OC)CC2 ZINC000333551658 279825396 /nfs/dbraw/zinc/82/53/96/279825396.db2.gz MPQGVGHQDRJCDK-XJFOESAGSA-N 1 0 285.384 0.652 10 0 CCAERO C[C@H]1CN(Cc2nnnn2C(C)(C)C)C[C@@H]1[NH+](C)C ZINC000408248055 279874399 /nfs/dbraw/zinc/87/43/99/279874399.db2.gz RSDHRXLQEDAVRR-QWRGUYRKSA-N 1 0 266.393 0.810 10 0 CCAERO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCCCC(=O)N1 ZINC000248672610 280011888 /nfs/dbraw/zinc/01/18/88/280011888.db2.gz GBCVBOSCFFAMEO-OLZOCXBDSA-N 1 0 281.400 0.844 10 0 CCAERO CC(C)[C@@H]1N(C(=O)N[C@H]2CC[NH2+]C2)C[C@@]12CCCO2 ZINC000333656441 280052029 /nfs/dbraw/zinc/05/20/29/280052029.db2.gz KTWBCZBCRDARCI-OBJOEFQTSA-N 1 0 267.373 0.947 10 0 CCAERO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000263250206 280164897 /nfs/dbraw/zinc/16/48/97/280164897.db2.gz PUQAPLVNJNIHCV-LZWOXQAQSA-N 1 0 295.427 0.827 10 0 CCAERO CC(C)[C@H]1N(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@]12CCCO2 ZINC000333826711 280457855 /nfs/dbraw/zinc/45/78/55/280457855.db2.gz LRQCGZAMAOFNPA-NLRWUALESA-N 1 0 279.384 0.803 10 0 CCAERO Cc1cc(C)nc(N2CCO[C@H](C[NH+](C)C)C2)n1 ZINC000108951617 280459912 /nfs/dbraw/zinc/45/99/12/280459912.db2.gz LPVHFQNCDIUPFC-GFCCVEGCSA-N 1 0 250.346 0.860 10 0 CCAERO C[C@@H]1C[N@@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C[C@H]1C(N)=O ZINC000408048288 288249294 /nfs/dbraw/zinc/24/92/94/288249294.db2.gz LZDUOUUBDVEXOX-IWSPIJDZSA-N 1 0 293.289 0.203 10 0 CCAERO CC[C@H](C(N)=O)[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000171081678 280700875 /nfs/dbraw/zinc/70/08/75/280700875.db2.gz SWCNBNDVPJEUDR-GFCCVEGCSA-N 1 0 280.372 0.319 10 0 CCAERO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CC(=O)N(C)C)C1 ZINC000174649261 288476942 /nfs/dbraw/zinc/47/69/42/288476942.db2.gz CGSRARWRJZRPDX-CHWSQXEVSA-N 1 0 283.416 0.949 10 0 CCAERO CNC(=O)C1(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000113232651 290351654 /nfs/dbraw/zinc/35/16/54/290351654.db2.gz NJLVGHNMIYTGEY-GHMZBOCLSA-N 1 0 265.357 0.208 10 0 CCAERO NC(=O)N1CCC[C@H](C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)C1 ZINC000186543839 295064355 /nfs/dbraw/zinc/06/43/55/295064355.db2.gz AOURPIKWDPHVAP-RYUDHWBXSA-N 1 0 294.399 0.520 10 0 CCAERO Nc1cccc2c1CC[N@H+](CCN1CCOCC1)C2 ZINC000038032913 295364300 /nfs/dbraw/zinc/36/43/00/295364300.db2.gz ITMLGYQVQCYHKV-UHFFFAOYSA-N 1 0 261.369 0.959 10 0 CCAERO C[C@H](C(=O)N1C[C@H](F)C[C@H]1C(N)=O)[NH+]1CCCCCC1 ZINC000408055534 298105045 /nfs/dbraw/zinc/10/50/45/298105045.db2.gz YIIXVIHADWIYEK-UTUOFQBUSA-N 1 0 285.363 0.675 10 0 CCAERO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000372976757 298133073 /nfs/dbraw/zinc/13/30/73/298133073.db2.gz OSEQZDGNPWOBTL-NXEZZACHSA-N 1 0 269.345 0.461 10 0 CCAERO C[C@]1(C(=O)NC[C@@H](O)C(F)(F)F)CCC[NH2+]C1 ZINC000227419783 300763177 /nfs/dbraw/zinc/76/31/77/300763177.db2.gz XPBPINRZNDVIRY-APPZFPTMSA-N 1 0 254.252 0.416 10 0 CCAERO Cc1cc(=O)c(C(=O)N2CC[C@H](C)C[C@H]2C[NH3+])c[nH]1 ZINC000235611408 301062817 /nfs/dbraw/zinc/06/28/17/301062817.db2.gz ZHWUSRRYYVVDPX-ONGXEEELSA-N 1 0 263.341 0.883 10 0 CCAERO NC(=O)[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261578788 303292613 /nfs/dbraw/zinc/29/26/13/303292613.db2.gz PBRYTKQFWHHTBH-QWRGUYRKSA-N 1 0 253.346 0.385 10 0 CCAERO CN(CCC[NH+](C)C)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000186253571 327686232 /nfs/dbraw/zinc/68/62/32/327686232.db2.gz NUYQNDPFUQWVKF-NSHDSACASA-N 1 0 280.376 0.186 10 0 CCAERO CO[C@]1(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CCOC1 ZINC000332945819 330117242 /nfs/dbraw/zinc/11/72/42/330117242.db2.gz RXPGEHRPXUYPQZ-SGMGOOAPSA-N 1 0 270.373 0.637 10 0 CCAERO COC(=O)c1ccc(CNC(=O)[C@@H](C)C2C[NH2+]C2)cc1 ZINC000164405491 334880819 /nfs/dbraw/zinc/88/08/19/334880819.db2.gz OOEZQVIWAIJYQO-JTQLQIEISA-N 1 0 276.336 0.945 10 0 CCAERO CC(C)C[NH2+]Cc1cnc(CS(C)(=O)=O)nc1 ZINC000054856710 519748617 /nfs/dbraw/zinc/74/86/17/519748617.db2.gz OFCMMCRZJLAICD-UHFFFAOYSA-N 1 0 257.359 0.767 10 0 CCAERO CC[NH2+]CCS(=O)(=O)NCCc1ccc(F)cc1 ZINC000049632564 519926093 /nfs/dbraw/zinc/92/60/93/519926093.db2.gz MXNOLYJIZBXAJE-UHFFFAOYSA-N 1 0 274.361 0.897 10 0 CCAERO CCC[NH2+][C@H](CCN1CC[NH+](CC)CC1)C(=O)[O-] ZINC000062439730 520074253 /nfs/dbraw/zinc/07/42/53/520074253.db2.gz LLRYOWLMRNUIMC-GFCCVEGCSA-N 1 0 257.378 0.467 10 0 CCAERO CC(C)n1nccc1NS(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000049640729 520128128 /nfs/dbraw/zinc/12/81/28/520128128.db2.gz RNTRBRURUAACDM-JTQLQIEISA-N 1 0 272.374 0.958 10 0 CCAERO C[NH2+]CCS(=O)(=O)N1CCc2ccccc2C1 ZINC000049630048 522014729 /nfs/dbraw/zinc/01/47/29/522014729.db2.gz ADDSTBVQWILTAS-UHFFFAOYSA-N 1 0 254.355 0.594 10 0 CCAERO CN(CC(=O)N1CCCC1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055088727 522430405 /nfs/dbraw/zinc/43/04/05/522430405.db2.gz 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10 0 CCAERO Cc1nn(C)c(C)c1Cc1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263189934 137059887 /nfs/dbraw/zinc/05/98/87/137059887.db2.gz HUZQAGQXLNRGFP-GFCCVEGCSA-N 1 0 290.371 0.587 10 0 CCAERO Cc1nn(C(C)C)cc1CNC[C@@H]1C[NH2+]C[C@@H]1O ZINC000263187927 137060047 /nfs/dbraw/zinc/06/00/47/137060047.db2.gz HOPWGRAEQOGVHD-YPMHNXCESA-N 1 0 252.362 0.442 10 0 CCAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2cccc(C(N)=O)c2)n1 ZINC000263190771 137060189 /nfs/dbraw/zinc/06/01/89/137060189.db2.gz HWCRXPLFVLFVBQ-LLVKDONJSA-N 1 0 287.323 0.412 10 0 CCAERO CC(C)(C)c1n[nH]cc1CNC[C@H]1C[NH2+]C[C@H]1O ZINC000263223079 137060725 /nfs/dbraw/zinc/06/07/25/137060725.db2.gz MGKXYUALNBEKDY-GXSJLCMTSA-N 1 0 252.362 0.377 10 0 CCAERO Cn1cc(-c2ccc(C[NH2+]C[C@@H]3C[NH2+]C[C@H]3O)s2)cn1 ZINC000263231625 137060771 /nfs/dbraw/zinc/06/07/71/137060771.db2.gz NNNKQVBZBXQMTL-ZWNOBZJWSA-N 1 0 292.408 0.819 10 0 CCAERO COCCOc1cccc(CNC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263222151 137060804 /nfs/dbraw/zinc/06/08/04/137060804.db2.gz MBEXHPFENDVFDY-ZFWWWQNUSA-N 1 0 280.368 0.382 10 0 CCAERO CC(C)OCC[N@@H+]1CCC[C@](O)(Cn2ccnn2)C1 ZINC000343887105 137164294 /nfs/dbraw/zinc/16/42/94/137164294.db2.gz MFGIOEJOXBGPEU-CYBMUJFWSA-N 1 0 268.361 0.530 10 0 CCAERO OC[C@@H]1COc2c(cccc2N2CC[NH2+]CC2)O1 ZINC000013760899 348030781 /nfs/dbraw/zinc/03/07/81/348030781.db2.gz BOXCVCJOJXRNFC-SNVBAGLBSA-N 1 0 250.298 0.228 10 0 CCAERO CC(C)[NH2+]C[C@@H](O)COc1ccc(NC=O)cc1 ZINC000027631458 348100869 /nfs/dbraw/zinc/10/08/69/348100869.db2.gz XRTJUQUBUGUQLA-GFCCVEGCSA-N 1 0 252.314 0.993 10 0 CCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCn2nc(C)cc2C)C1 ZINC000344707844 137208877 /nfs/dbraw/zinc/20/88/77/137208877.db2.gz JVORRDRTWLZXOX-QWHCGFSZSA-N 1 0 253.346 0.582 10 0 CCAERO CCOc1ccccc1N1CCN(C[C@@H](O)C[NH3+])CC1 ZINC000034419046 348149883 /nfs/dbraw/zinc/14/98/83/348149883.db2.gz LSQYVSBHTDOKQL-ZDUSSCGKSA-N 1 0 279.384 0.527 10 0 CCAERO O=C(C1CCN(c2ccnnc2)CC1)N1CC[NH2+]CC1 ZINC000034510094 348150558 /nfs/dbraw/zinc/15/05/58/348150558.db2.gz KRADGQZCUYBFJM-UHFFFAOYSA-N 1 0 275.356 0.125 10 0 CCAERO CC[NH+](CC)CCC[C@@H](C)NC(=O)C1=NNC(=O)CC1 ZINC000035247302 348158977 /nfs/dbraw/zinc/15/89/77/348158977.db2.gz ZCHXKYNCMXJPSX-LLVKDONJSA-N 1 0 282.388 0.879 10 0 CCAERO CCOc1ccc(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)cc1OC ZINC000037029319 348181582 /nfs/dbraw/zinc/18/15/82/348181582.db2.gz NEEPCSHBYLUOSA-QWRGUYRKSA-N 1 0 280.324 0.755 10 0 CCAERO CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000037043490 348183886 /nfs/dbraw/zinc/18/38/86/348183886.db2.gz IALSBXSZEGWWGJ-NEPJUHHUSA-N 1 0 277.324 0.098 10 0 CCAERO CC[C@@H]([NH2+]Cc1cn(C)c(=O)n(C)c1=O)C(C)C ZINC000042585248 348286162 /nfs/dbraw/zinc/28/61/62/348286162.db2.gz DRWKXFHBCBMNCN-LLVKDONJSA-N 1 0 253.346 0.608 10 0 CCAERO O=C1NCCCC[C@@H]1[NH+]1CCC(Cn2ccnn2)CC1 ZINC000120356807 349983812 /nfs/dbraw/zinc/98/38/12/349983812.db2.gz SJYKBAFYSYBBTD-ZDUSSCGKSA-N 1 0 277.372 0.659 10 0 CCAERO O=C(CNc1ncccc1Br)N1CC[NH2+]CC1 ZINC000048759453 348425381 /nfs/dbraw/zinc/42/53/81/348425381.db2.gz OZSQVMDFEYPSGP-UHFFFAOYSA-N 1 0 299.172 0.688 10 0 CCAERO Cc1nn(C[C@@](C)([NH3+])C(N)=O)c(C)c1Br ZINC000050595040 348477168 /nfs/dbraw/zinc/47/71/68/348477168.db2.gz QUUZLXLMNYPJNO-SECBINFHSA-N 1 0 275.150 0.465 10 0 CCAERO C[NH2+][C@H](C)C(=O)Nc1cccc(-n2nnnc2C)c1 ZINC000054074376 348541193 /nfs/dbraw/zinc/54/11/93/348541193.db2.gz IXBNRKTVNORTSD-MRVPVSSYSA-N 1 0 260.301 0.517 10 0 CCAERO CC[C@H](C)NC(=O)CCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054292287 348548105 /nfs/dbraw/zinc/54/81/05/348548105.db2.gz XDANQUFHYUIEOU-RYUDHWBXSA-N 1 0 269.389 0.797 10 0 CCAERO CCCNC(=O)CCNC(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000052559891 348511588 /nfs/dbraw/zinc/51/15/88/348511588.db2.gz VCPHIHGETJIANS-GFCCVEGCSA-N 1 0 284.404 0.686 10 0 CCAERO O=C1CCC(=O)N1CCN1CCC([NH+]2CCCC2)CC1 ZINC000120675556 349999263 /nfs/dbraw/zinc/99/92/63/349999263.db2.gz GHKYEQJRPYNVGX-UHFFFAOYSA-N 1 0 279.384 0.696 10 0 CCAERO C[NH2+][C@H]1CCCN(CN2C(=O)c3ccccc3C2=O)C1 ZINC000053203911 348522446 /nfs/dbraw/zinc/52/24/46/348522446.db2.gz SJYYVFAUYRJSGO-NSHDSACASA-N 1 0 273.336 0.924 10 0 CCAERO Cn1cc(CNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cn1 ZINC000054812560 348563926 /nfs/dbraw/zinc/56/39/26/348563926.db2.gz ZGEYAKSCDOPMRE-CYBMUJFWSA-N 1 0 295.387 0.066 10 0 CCAERO CC[C@]1(C(=O)NCc2cccc(C(N)=O)c2)CC[NH2+]C1 ZINC000062900098 348672947 /nfs/dbraw/zinc/67/29/47/348672947.db2.gz MZNHPWXNXKFKRI-HNNXBMFYSA-N 1 0 275.352 0.791 10 0 CCAERO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](CO)c1ccccc1 ZINC000063002718 348675300 /nfs/dbraw/zinc/67/53/00/348675300.db2.gz CIQXJLUBPZTZCD-KOLCDFICSA-N 1 0 265.313 0.154 10 0 CCAERO CC(C)[N@H+](C)CC(=O)NCc1cccnc1-n1cncn1 ZINC000063467302 348685648 /nfs/dbraw/zinc/68/56/48/348685648.db2.gz JXQLBCIGIXIMQQ-UHFFFAOYSA-N 1 0 288.355 0.619 10 0 CCAERO C[C@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000104222227 185935424 /nfs/dbraw/zinc/93/54/24/185935424.db2.gz BKNUIQZTIGCWLA-MVWJERBFSA-N 1 0 265.357 0.112 10 0 CCAERO c1cc(N2CC[NH2+]CC2)nnc1-c1nc(C2CC2)no1 ZINC000070458452 348889994 /nfs/dbraw/zinc/88/99/94/348889994.db2.gz UWQOXCAYOXUFLA-UHFFFAOYSA-N 1 0 272.312 0.814 10 0 CCAERO C[NH2+]CCn1cc(I)cn1 ZINC000070677749 348894971 /nfs/dbraw/zinc/89/49/71/348894971.db2.gz SQQDDAOIDIWWOB-UHFFFAOYSA-N 1 0 251.071 0.707 10 0 CCAERO C[C@]1(CNc2ccc(S(N)(=O)=O)cn2)CCC[NH2+]C1 ZINC000129292398 187421797 /nfs/dbraw/zinc/42/17/97/187421797.db2.gz MLOMUYCQLOYJLI-LBPRGKRZSA-N 1 0 284.385 0.531 10 0 CCAERO [NH3+]CCOCCNC(=O)c1ccc2nccnc2c1 ZINC000104308165 185961405 /nfs/dbraw/zinc/96/14/05/185961405.db2.gz MDTHJEGXMLXWFJ-UHFFFAOYSA-N 1 0 260.297 0.335 10 0 CCAERO COc1nc(Cl)nc(NCC[C@H]2CC[NH2+]C2)n1 ZINC000104357825 185982676 /nfs/dbraw/zinc/98/26/76/185982676.db2.gz BYSAGXATCUWSDE-SSDOTTSWSA-N 1 0 257.725 0.945 10 0 CCAERO O=C([C@H]1COCCN1)N1CCC([NH+]2CCCCC2)CC1 ZINC000088371186 349363015 /nfs/dbraw/zinc/36/30/15/349363015.db2.gz CQTFEKQCKKJTAY-CQSZACIVSA-N 1 0 281.400 0.452 10 0 CCAERO C[NH2+][C@H](C)[C@H]1CCCN(S(=O)(=O)C2CCOCC2)C1 ZINC000104421792 185995752 /nfs/dbraw/zinc/99/57/52/185995752.db2.gz DAKSECUOHJJSHP-NEPJUHHUSA-N 1 0 290.429 0.815 10 0 CCAERO CC(C)[C@H](O)C[NH2+]C[C@@H](O)COCc1ccco1 ZINC000124895710 350110520 /nfs/dbraw/zinc/11/05/20/350110520.db2.gz RHHBCNATSCXKRO-DGCLKSJQSA-N 1 0 257.330 0.764 10 0 CCAERO COC(=O)[C@H]1CN(C[C@@H]2Cc3ccccc3O2)CCO1 ZINC000125384175 350121231 /nfs/dbraw/zinc/12/12/31/350121231.db2.gz DVYUPDZTKKKYTI-GXTWGEPZSA-N 1 0 277.320 0.864 10 0 CCAERO O=C1c2ccccc2C(=O)N1CCC[NH+]1CC(CO)C1 ZINC000127915837 350180552 /nfs/dbraw/zinc/18/05/52/350180552.db2.gz GUKDPWYPSXWIBL-UHFFFAOYSA-N 1 0 274.320 0.597 10 0 CCAERO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1)NC(=O)NC1CC1 ZINC000128523542 350194762 /nfs/dbraw/zinc/19/47/62/350194762.db2.gz WZRKTVJLMJYHGQ-NHYWBVRUSA-N 1 0 295.383 0.602 10 0 CCAERO CCN(Cc1ccc2c(c1)OCO2)C(=O)C1C[NH2+]C1 ZINC000091415153 180149025 /nfs/dbraw/zinc/14/90/25/180149025.db2.gz FECOIKJJMOZRAC-UHFFFAOYSA-N 1 0 262.309 0.983 10 0 CCAERO COc1cccc(CNC(=O)C(C)(C)N2CC[NH2+]CC2)c1 ZINC000129637350 350218836 /nfs/dbraw/zinc/21/88/36/350218836.db2.gz WRXHSMQXTODXMP-UHFFFAOYSA-N 1 0 291.395 0.995 10 0 CCAERO C[C@H]1OCC[C@H]1NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000131699854 350283305 /nfs/dbraw/zinc/28/33/05/350283305.db2.gz XJHWAHZZKKHLGP-NTZNESFSSA-N 1 0 267.373 0.947 10 0 CCAERO CC(C)(C(=O)N[C@H]1CCCC[C@@H]1O)N1CC[NH2+]CC1 ZINC000131278115 350270327 /nfs/dbraw/zinc/27/03/27/350270327.db2.gz PJEBRSCTZASURK-RYUDHWBXSA-N 1 0 269.389 0.090 10 0 CCAERO CCC(=O)N1CC[C@H](NC(=O)N[C@@H]2CCC[N@@H+](CC)C2)C1 ZINC000135123709 350385628 /nfs/dbraw/zinc/38/56/28/350385628.db2.gz ROAGYDHWIJNWMK-OLZOCXBDSA-N 1 0 296.415 0.781 10 0 CCAERO CCN1CCO[C@H](C[NH2+]Cc2ccc(CO)o2)C1 ZINC000135178894 350387424 /nfs/dbraw/zinc/38/74/24/350387424.db2.gz FAZWJPMCGHTNNR-CYBMUJFWSA-N 1 0 254.330 0.582 10 0 CCAERO CCCCNC(=O)[C@H](C)[NH2+][C@H]1CCc2ncnn2C1 ZINC000105871875 186080259 /nfs/dbraw/zinc/08/02/59/186080259.db2.gz SHYXWRCCGJKPRA-QWRGUYRKSA-N 1 0 265.361 0.487 10 0 CCAERO C[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000137772217 350438046 /nfs/dbraw/zinc/43/80/46/350438046.db2.gz DZFZEWZMFNKRKH-DGCLKSJQSA-N 1 0 250.342 0.656 10 0 CCAERO O=C1CCC(=O)N1CC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105884025 186082906 /nfs/dbraw/zinc/08/29/06/186082906.db2.gz QQDXLISCLCTDTC-LBPRGKRZSA-N 1 0 291.355 0.139 10 0 CCAERO COCCOCCCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000136148123 350416297 /nfs/dbraw/zinc/41/62/97/350416297.db2.gz OSKOYMBLXUOVGI-CYBMUJFWSA-N 1 0 258.362 0.688 10 0 CCAERO C[C@]1(C(=O)NCCCN2CCOCC2)CCCC[NH2+]1 ZINC000136192753 350417177 /nfs/dbraw/zinc/41/71/77/350417177.db2.gz SGWCYKVNCCWFQI-CQSZACIVSA-N 1 0 269.389 0.357 10 0 CCAERO CCNC(=O)CC[N@@H+]1CCN(CCOC)[C@H](CC)C1 ZINC000105836904 186075219 /nfs/dbraw/zinc/07/52/19/186075219.db2.gz XWYIFIFOGUTBFQ-CYBMUJFWSA-N 1 0 271.405 0.555 10 0 CCAERO O=C1CCC(=O)N1CC[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000105898753 186086749 /nfs/dbraw/zinc/08/67/49/186086749.db2.gz SXEUPUCNFQEJLB-NSHDSACASA-N 1 0 277.328 0.064 10 0 CCAERO CC[C@@H]1CN(C[C@H](O)COC(C)C)CC[N@@H+]1CCOC ZINC000105903049 186087651 /nfs/dbraw/zinc/08/76/51/186087651.db2.gz AMNKFDWMEQNNOV-CABCVRRESA-N 1 0 288.432 0.815 10 0 CCAERO COCCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106423731 186116468 /nfs/dbraw/zinc/11/64/68/186116468.db2.gz KFWCBAKGRQBAKD-ZDUSSCGKSA-N 1 0 250.342 0.922 10 0 CCAERO CCN(CC)C(=O)[C@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000105932964 186092580 /nfs/dbraw/zinc/09/25/80/186092580.db2.gz BXRABJZEBLOZGO-RYUDHWBXSA-N 1 0 257.378 0.164 10 0 CCAERO O=C(N[C@@H]1CC[NH2+]C[C@@H]1O)OCc1ccccc1 ZINC000145461986 350464964 /nfs/dbraw/zinc/46/49/64/350464964.db2.gz QAECDNDIJKFMPR-NEPJUHHUSA-N 1 0 250.298 0.636 10 0 CCAERO C[NH2+]CC(=O)Nc1c(OC)cc(OC)cc1OC ZINC000107295926 186168327 /nfs/dbraw/zinc/16/83/27/186168327.db2.gz GSLMXBBSXCVMBO-UHFFFAOYSA-N 1 0 254.286 0.870 10 0 CCAERO Cn1cc(CN2C[C@@H]([NH+](C)C)[C@H]3COC[C@H]32)cn1 ZINC000107201350 186162405 /nfs/dbraw/zinc/16/24/05/186162405.db2.gz DLQYNZLJARLYTB-JHJVBQTASA-N 1 0 250.346 0.181 10 0 CCAERO CC[N@H+](CC(=O)N1CC[C@H](N2CCOCC2)C1)C1CC1 ZINC000153047510 350550950 /nfs/dbraw/zinc/55/09/50/350550950.db2.gz HWVUEJBZYXMPDF-AWEZNQCLSA-N 1 0 281.400 0.404 10 0 CCAERO O=C(NCCCOC1CCCC1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000153892342 350566578 /nfs/dbraw/zinc/56/65/78/350566578.db2.gz RUZPJTHKESEQOR-PWSUYJOCSA-N 1 0 256.346 0.175 10 0 CCAERO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H]2CC[C@H](C)O2)CC1 ZINC000154656195 350596048 /nfs/dbraw/zinc/59/60/48/350596048.db2.gz BKCHLJVOGWEEEG-QLFBSQMISA-N 1 0 297.443 0.944 10 0 CCAERO CCN(CC)S(=O)(=O)CCN[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000154776395 350599134 /nfs/dbraw/zinc/59/91/34/350599134.db2.gz BXOSUQVUSPBXCA-STQMWFEESA-N 1 0 291.461 0.588 10 0 CCAERO CCC[C@H](C(=O)NC[C@]1(CCO)CCOC1)[NH+](C)C ZINC000155575622 350619809 /nfs/dbraw/zinc/61/98/09/350619809.db2.gz QMBNOVONIMOGGC-OCCSQVGLSA-N 1 0 272.389 0.622 10 0 CCAERO CCOC(=O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000155009614 350607317 /nfs/dbraw/zinc/60/73/17/350607317.db2.gz QJQPPJDFIYYFCA-ZDUSSCGKSA-N 1 0 298.383 0.651 10 0 CCAERO C[NH+](C)C1(CNC(=O)[C@H]2CNC(=O)C2)CCCC1 ZINC000110360434 186293927 /nfs/dbraw/zinc/29/39/27/186293927.db2.gz RJPFYQZPEUXHHP-SNVBAGLBSA-N 1 0 253.346 0.113 10 0 CCAERO CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)c1ccc(N)cc1 ZINC000110459604 186297496 /nfs/dbraw/zinc/29/74/96/186297496.db2.gz VFWGOCJKQOFIFO-NSHDSACASA-N 1 0 283.397 0.841 10 0 CCAERO CCOC(=O)c1ccc(N2CCO[C@H]([C@@H](C)[NH3+])C2)nc1 ZINC000156554957 350631477 /nfs/dbraw/zinc/63/14/77/350631477.db2.gz HKJDPAQILSZWQD-PWSUYJOCSA-N 1 0 279.340 0.811 10 0 CCAERO [NH3+][C@@H](CN1C(=O)c2ccccc2C1=O)[C@H]1CCOC1 ZINC000156869761 350636853 /nfs/dbraw/zinc/63/68/53/350636853.db2.gz MJCPCTPSCFKICG-CABZTGNLSA-N 1 0 260.293 0.646 10 0 CCAERO COC[C@H]([NH3+])C(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000159239590 350673346 /nfs/dbraw/zinc/67/33/46/350673346.db2.gz AHYPZGUPUFBKOV-NSHDSACASA-N 1 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SBOYSSZPEYZDRX-LLVKDONJSA-N 1 0 295.412 0.604 10 0 CCAERO O=C(c1cccc(-n2cnnn2)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171584804 350917595 /nfs/dbraw/zinc/91/75/95/350917595.db2.gz OCCMBBWBLFSUEI-CQSZACIVSA-N 1 0 298.350 0.583 10 0 CCAERO CC[C@@H](C(=O)OC)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000171630793 350921863 /nfs/dbraw/zinc/92/18/63/350921863.db2.gz CGPYSBAANGPZJK-OLZOCXBDSA-N 1 0 272.389 0.981 10 0 CCAERO CC(C)COC[C@H](O)C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171625600 350922356 /nfs/dbraw/zinc/92/23/56/350922356.db2.gz ZIYPWLVXQGZATL-UONOGXRCSA-N 1 0 282.388 0.949 10 0 CCAERO O=C(NCc1ccccn1)NCC1CC[NH+](CCO)CC1 ZINC000171896444 350941184 /nfs/dbraw/zinc/94/11/84/350941184.db2.gz WBIVLDPJPAPZNZ-UHFFFAOYSA-N 1 0 292.383 0.585 10 0 CCAERO COCCCS(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171770874 350933844 /nfs/dbraw/zinc/93/38/44/350933844.db2.gz GBWUSKPHCOPZNI-LLVKDONJSA-N 1 0 262.375 0.133 10 0 CCAERO C[NH+](C)C[C@@H]1CN(C(=O)NCCCn2ccnc2)CCO1 ZINC000172113455 350958239 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CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CNC(C)=O ZINC000175005766 351114504 /nfs/dbraw/zinc/11/45/04/351114504.db2.gz XTNUCBCUEAYDPY-VXGBXAGGSA-N 1 0 253.346 0.208 10 0 CCAERO CC(C)[N@@H+](C)CC(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000174288753 351078136 /nfs/dbraw/zinc/07/81/36/351078136.db2.gz BDZAQLCLAJCRJV-CHWSQXEVSA-N 1 0 271.405 0.240 10 0 CCAERO CN1CC[NH+]([C@H]2CCCCN(C(=O)NC3CC3)C2)CC1 ZINC000174369621 351081956 /nfs/dbraw/zinc/08/19/56/351081956.db2.gz CMCRTZHZXIETPS-AWEZNQCLSA-N 1 0 280.416 0.960 10 0 CCAERO Cn1cc(C(N)=O)cc1C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000176126667 351157865 /nfs/dbraw/zinc/15/78/65/351157865.db2.gz MUCYMHGQQXXKRB-UHFFFAOYSA-N 1 0 290.367 0.434 10 0 CCAERO CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCn2ncnc21 ZINC000176130849 351157921 /nfs/dbraw/zinc/15/79/21/351157921.db2.gz XPHQUHPHWLEJLN-SNVBAGLBSA-N 1 0 251.334 0.569 10 0 CCAERO CCC1(CNC(=O)NC[C@@H]2CN(C)CCO2)CC1 ZINC000176594096 351179753 /nfs/dbraw/zinc/17/97/53/351179753.db2.gz IUGGVVQVWDHXFR-LLVKDONJSA-N 1 0 255.362 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ZINC000188514272 351602882 /nfs/dbraw/zinc/60/28/82/351602882.db2.gz GAUVGGVWFIPQSG-SNVBAGLBSA-N 1 0 294.380 0.798 10 0 CCAERO O=C(NC[C@H]1CCC[C@@H](O)C1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188916882 351639373 /nfs/dbraw/zinc/63/93/73/351639373.db2.gz RGHNICDVZBWRNM-VHSXEESVSA-N 1 0 278.356 0.336 10 0 CCAERO CCOC(=O)CC[C@H](C)NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188984343 351644793 /nfs/dbraw/zinc/64/47/93/351644793.db2.gz OKBQGAITIJRLMJ-LPEHRKFASA-N 1 0 260.309 0.534 10 0 CCAERO O=C(N[C@H]1CCCC[C@H]1CO)c1[nH]nc2c1C[NH2+]CC2 ZINC000188986955 351644939 /nfs/dbraw/zinc/64/49/39/351644939.db2.gz SABFYAAJNPISHQ-ONGXEEELSA-N 1 0 278.356 0.336 10 0 CCAERO NC(=O)c1ccc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)nc1 ZINC000188696575 351618888 /nfs/dbraw/zinc/61/88/88/351618888.db2.gz VAVPEADUCFHHMT-UHFFFAOYSA-N 1 0 296.330 0.714 10 0 CCAERO C[C@@H]1OCCC[C@@H]1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000189720972 351698485 /nfs/dbraw/zinc/69/84/85/351698485.db2.gz MNEHEKUEAOQPQU-GVXVVHGQSA-N 1 0 258.362 0.230 10 0 CCAERO COCCCN(C)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000190669052 351729387 /nfs/dbraw/zinc/72/93/87/351729387.db2.gz ZAMKIGSXGHXCHX-LBPRGKRZSA-N 1 0 273.377 0.337 10 0 CCAERO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCCN(c2cccnn2)CC1 ZINC000192111747 351783761 /nfs/dbraw/zinc/78/37/61/351783761.db2.gz HQDHGVLCEHDNHY-VXGBXAGGSA-N 1 0 277.372 0.499 10 0 CCAERO O=C(NC[C@H]1CN(C2CC2)CCO1)c1cncc(Cl)n1 ZINC000192351394 351786817 /nfs/dbraw/zinc/78/68/17/351786817.db2.gz IZPHAMABZUIQPS-JTQLQIEISA-N 1 0 296.758 0.723 10 0 CCAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCCNC(=O)[C@@H]1C ZINC000191448057 351757985 /nfs/dbraw/zinc/75/79/85/351757985.db2.gz FSSTWACNQSCDPT-STQMWFEESA-N 1 0 296.415 0.781 10 0 CCAERO CC(C)C[C@@]1(CO)CCC[N@@H+]1C[C@H](O)CN1CCCC1=O ZINC000191671087 351767551 /nfs/dbraw/zinc/76/75/51/351767551.db2.gz LECHZNZFTFWXOQ-GDBMZVCRSA-N 1 0 298.427 0.843 10 0 CCAERO Cc1cccc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000193476966 351829417 /nfs/dbraw/zinc/82/94/17/351829417.db2.gz CRSHUYRTPUIRGP-GFCCVEGCSA-N 1 0 288.351 0.635 10 0 CCAERO C[N@H+]1C[C@H]2CN(CC(=O)NC(C3CC3)C3CC3)C[C@H]2C1 ZINC000193642221 351838547 /nfs/dbraw/zinc/83/85/47/351838547.db2.gz FSGASSOPWLLPAW-OKILXGFUSA-N 1 0 277.412 0.785 10 0 CCAERO C[C@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)[C@@H]1CCCO1 ZINC000122266165 187023728 /nfs/dbraw/zinc/02/37/28/187023728.db2.gz GRDWGSQFYLZMFC-GVXVVHGQSA-N 1 0 273.377 0.166 10 0 CCAERO [NH3+]CCOc1ccc(NC(=O)C2=COCCO2)cc1 ZINC000122451729 187033037 /nfs/dbraw/zinc/03/30/37/187033037.db2.gz RIOCHSFAFUQKFN-UHFFFAOYSA-N 1 0 264.281 0.851 10 0 CCAERO C[NH+](C)C[C@H]1CN(C(=O)C(=O)c2ccccc2)CCO1 ZINC000194323631 351864420 /nfs/dbraw/zinc/86/44/20/351864420.db2.gz JQGXMTZAAQCXMX-ZDUSSCGKSA-N 1 0 276.336 0.658 10 0 CCAERO COCC[N@H+](C)CCCNC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000123339006 187086041 /nfs/dbraw/zinc/08/60/41/187086041.db2.gz PSKLXIDZIIPPJE-CHWSQXEVSA-N 1 0 287.404 0.821 10 0 CCAERO O=C(CN1CCC[N@@H+](C2CC2)CC1)NC[C@@H]1CCCO1 ZINC000195340483 351911203 /nfs/dbraw/zinc/91/12/03/351911203.db2.gz AXCWRYARKDJWIY-AWEZNQCLSA-N 1 0 281.400 0.452 10 0 CCAERO C[C@@H]([NH3+])Cn1cncc(I)c1=O ZINC000222865540 351984289 /nfs/dbraw/zinc/98/42/89/351984289.db2.gz NQKHHNQMYZKYBD-RXMQYKEDSA-N 1 0 279.081 0.195 10 0 CCAERO COc1c(N)ncnc1N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000227372225 352048130 /nfs/dbraw/zinc/04/81/30/352048130.db2.gz RKXMRFCOSSVMBA-RKDXNWHRSA-N 1 0 251.334 0.454 10 0 CCAERO CCC[C@H]1C[C@H]1NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000226379588 352024693 /nfs/dbraw/zinc/02/46/93/352024693.db2.gz WBASPZWXBUDPKY-NWDGAFQWSA-N 1 0 253.390 0.975 10 0 CCAERO CCN(CC)S(=O)(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000226464796 352028149 /nfs/dbraw/zinc/02/81/49/352028149.db2.gz CEGALWDWLLGVTL-NSHDSACASA-N 1 0 263.407 0.647 10 0 CCAERO Cc1c(C[NH2+]C[C@H](O)COCC2CC2)cnn1C ZINC000229807100 352096862 /nfs/dbraw/zinc/09/68/62/352096862.db2.gz BHNNACDHMOYORN-ZDUSSCGKSA-N 1 0 253.346 0.606 10 0 CCAERO CNc1cnc(C(=O)N2CCN3CCCC[C@@H]3C2)cn1 ZINC000230110983 352103703 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ZINC000235644840 352185876 /nfs/dbraw/zinc/18/58/76/352185876.db2.gz DOGICMHXIWEGMO-ONGXEEELSA-N 1 0 268.361 0.034 10 0 CCAERO Cc1cnn(CCNC(=O)COC2CC[NH2+]CC2)c1 ZINC000235937053 352190122 /nfs/dbraw/zinc/19/01/22/352190122.db2.gz ZJWNVYYJDQVBCQ-UHFFFAOYSA-N 1 0 266.345 0.076 10 0 CCAERO Cc1cnn(CCNC(=O)CC[C@H]2CC[NH2+]C2)c1 ZINC000235936882 352190502 /nfs/dbraw/zinc/19/05/02/352190502.db2.gz XLHGRSNESYCPJG-LBPRGKRZSA-N 1 0 250.346 0.697 10 0 CCAERO C[C@H](NC(=O)[C@H]1COCCN1)C(C)(C)C[NH+](C)C ZINC000237531708 352269794 /nfs/dbraw/zinc/26/97/94/352269794.db2.gz KDJUOYDRGUYVRX-WDEREUQCSA-N 1 0 257.378 0.067 10 0 CCAERO O=C([C@H]1COCCN1)N1CCC(c2cc[nH]n2)CC1 ZINC000238010185 352294360 /nfs/dbraw/zinc/29/43/60/352294360.db2.gz BUQFEJCKWZITOX-GFCCVEGCSA-N 1 0 264.329 0.104 10 0 CCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCCn2ccnc2)C1 ZINC000246162212 352351027 /nfs/dbraw/zinc/35/10/27/352351027.db2.gz DKMSCYCXLVXKKD-QWHCGFSZSA-N 1 0 279.388 0.911 10 0 CCAERO 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OKYFYBVPKHSICS-LSDHHAIUSA-N 1 0 293.415 0.711 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCO[C@@H](COC)C2)C1 ZINC000246310320 352359976 /nfs/dbraw/zinc/35/99/76/352359976.db2.gz NPFNKNAMCXQNCM-QWHCGFSZSA-N 1 0 285.388 0.528 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCO[C@@H](COC)C2)C1 ZINC000246310303 352360369 /nfs/dbraw/zinc/36/03/69/352360369.db2.gz NPFNKNAMCXQNCM-CHWSQXEVSA-N 1 0 285.388 0.528 10 0 CCAERO Cn1ccc(N2CCC[C@@H]([N@@H+]3CC[C@@H](CO)C3)C2=O)n1 ZINC000246358882 352362134 /nfs/dbraw/zinc/36/21/34/352362134.db2.gz MZWALSQJVLUTBI-VXGBXAGGSA-N 1 0 278.356 0.230 10 0 CCAERO O[C@@H](Cn1cccn1)C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000246457142 352367598 /nfs/dbraw/zinc/36/75/98/352367598.db2.gz CDQKQVBCBLEPLF-UKRRQHHQSA-N 1 0 288.351 0.792 10 0 CCAERO CO[C@@H]1CC[C@H]2OCC[N@H+](CCOCCO)[C@H]2C1 ZINC000246459281 352368144 /nfs/dbraw/zinc/36/81/44/352368144.db2.gz JCUQMMRWAPTZNK-FRRDWIJNSA-N 1 0 259.346 0.264 10 0 CCAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCCN(c3cccnn3)CC2)C1 ZINC000246571192 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CC[C@@H]1CN(CCn2cccn2)CC[N@@H+]1C[C@H](C)O ZINC000247097907 352399237 /nfs/dbraw/zinc/39/92/37/352399237.db2.gz HZORGQYKQCAEDM-UONOGXRCSA-N 1 0 266.389 0.660 10 0 CCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H](C)N2CCN(C)CC2)C1 ZINC000247489456 352416905 /nfs/dbraw/zinc/41/69/05/352416905.db2.gz WTSNXSIKCYZYFT-ILXRZTDVSA-N 1 0 296.459 0.467 10 0 CCAERO NC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)C1 ZINC000247572422 352421203 /nfs/dbraw/zinc/42/12/03/352421203.db2.gz RXDMHTZEVFHSGD-MJBXVCDLSA-N 1 0 293.411 0.975 10 0 CCAERO Cc1cccc(OC[C@H](O)C[N@@H+]2C[C@@H](O)C[C@@H]2CO)c1 ZINC000248390603 352437261 /nfs/dbraw/zinc/43/72/61/352437261.db2.gz IKFDNTDFHVHBRE-HZSPNIEDSA-N 1 0 281.352 0.162 10 0 CCAERO CC[C@H](C)[C@@H](C)[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000248559374 352445711 /nfs/dbraw/zinc/44/57/11/352445711.db2.gz JCHQUZRZWGADQC-QJPTWQEYSA-N 1 0 269.389 0.735 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cccnc1 ZINC000249210038 352482363 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Cn1cc(C(=O)N2CCC[N@H+](C)CC2)c([C@@H]2CCOC2)n1 ZINC000275265743 353200895 /nfs/dbraw/zinc/20/08/95/353200895.db2.gz IQZWBTSFFNOTJP-GFCCVEGCSA-N 1 0 292.383 0.702 10 0 CCAERO Cc1cnc(C(=O)NC[C@@H]2CCc3nccn3C2)cn1 ZINC000275294960 353203326 /nfs/dbraw/zinc/20/33/26/353203326.db2.gz GLYCBVTZAIIZGD-NSHDSACASA-N 1 0 271.324 0.974 10 0 CCAERO CCC[C@H](C(=O)NCCNC(=O)c1ccco1)[NH+](C)C ZINC000156871908 188285554 /nfs/dbraw/zinc/28/55/54/188285554.db2.gz XDKQCALWXRRQIA-LLVKDONJSA-N 1 0 281.356 0.856 10 0 CCAERO C[C@@H]([NH3+])C(=O)NCc1cccnc1OCC(F)F ZINC000158122782 188358428 /nfs/dbraw/zinc/35/84/28/188358428.db2.gz RSLYESMOSMTVLL-SSDOTTSWSA-N 1 0 259.256 0.689 10 0 CCAERO CCOc1cc(N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)ncn1 ZINC000284462154 353555796 /nfs/dbraw/zinc/55/57/96/353555796.db2.gz FCHXHEAVMCZWMS-NWDGAFQWSA-N 1 0 278.356 0.785 10 0 CCAERO Cn1cccc1C[NH+]1CCC([C@H](O)C(=O)NC2CC2)CC1 ZINC000299744312 354043865 /nfs/dbraw/zinc/04/38/65/354043865.db2.gz RXXLGVQNYZGETM-HNNXBMFYSA-N 1 0 291.395 0.877 10 0 CCAERO O=C(Nc1n[nH]cc1Br)[C@H]1CCC[NH2+]1 ZINC000306386141 354174168 /nfs/dbraw/zinc/17/41/68/354174168.db2.gz JMOPNCQHGHLXFO-ZCFIWIBFSA-N 1 0 259.107 0.863 10 0 CCAERO C[C@H](c1cnn(C)c1)[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000305809053 354163308 /nfs/dbraw/zinc/16/33/08/354163308.db2.gz IFFBWZLXQFPTDQ-TZMCWYRMSA-N 1 0 282.388 0.106 10 0 CCAERO Cn1cncc1C[NH2+]C[C@@H]1C[C@H](F)CN1c1cccnn1 ZINC000328633490 354242234 /nfs/dbraw/zinc/24/22/34/354242234.db2.gz MBYBKSPOVIDIKF-RYUDHWBXSA-N 1 0 290.346 0.917 10 0 CCAERO O=C(NCC[NH+]1CCC(O)CC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000321235795 354228341 /nfs/dbraw/zinc/22/83/41/354228341.db2.gz IDDZGYBFLBYJDS-ZSBIGDGJSA-N 1 0 252.358 0.605 10 0 CCAERO CCOC(=O)CC[C@H](O)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000324267541 354230971 /nfs/dbraw/zinc/23/09/71/354230971.db2.gz JOASAKLFGFUHDN-WDEREUQCSA-N 1 0 261.362 0.687 10 0 CCAERO O[C@H](CN1CCOCC1)C[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328599614 354233238 /nfs/dbraw/zinc/23/32/38/354233238.db2.gz CGVZHNHCMQHLIU-HUUCEWRRSA-N 1 0 294.399 0.213 10 0 CCAERO O=C([C@@H]1CCCN(C(=O)C2C[NH2+]C2)C1)N1CCCC1 ZINC000336392023 213248652 /nfs/dbraw/zinc/24/86/52/213248652.db2.gz XBMKIBUSIUTIFC-LLVKDONJSA-N 1 0 265.357 0.067 10 0 CCAERO CC[C@@H]1CCN1[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000330285247 354316535 /nfs/dbraw/zinc/31/65/35/354316535.db2.gz YPKZNYMYLXOPDA-TUAOUCFPSA-N 1 0 288.413 0.505 10 0 CCAERO O=C(NC1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)C1)C1CCC1 ZINC000333763561 354789647 /nfs/dbraw/zinc/78/96/47/354789647.db2.gz AUKPMBYIOYEUCT-GFCCVEGCSA-N 1 0 294.399 0.439 10 0 CCAERO O=C(NC1CC1)[C@H]1CCCN1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333858732 354806210 /nfs/dbraw/zinc/80/62/10/354806210.db2.gz RNTBYICMAMNXBK-QWHCGFSZSA-N 1 0 294.399 0.581 10 0 CCAERO C[C@@H](C(=O)N1CCCCCC1)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333874953 354809106 /nfs/dbraw/zinc/80/91/06/354809106.db2.gz SQIRMHIIDPNJLP-AVGNSLFASA-N 1 0 269.389 0.042 10 0 CCAERO CN(C(=O)NC(C1CC1)C1CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333894236 354811877 /nfs/dbraw/zinc/81/18/77/354811877.db2.gz HORYBAHXNXAJGZ-QWRGUYRKSA-N 1 0 253.346 0.149 10 0 CCAERO CN(C(=O)NC[C@@H]1CC=CCC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333947676 354818820 /nfs/dbraw/zinc/81/88/20/354818820.db2.gz VTAJLNYDMTUQKE-WOPDTQHZSA-N 1 0 253.346 0.317 10 0 CCAERO CC[C@H]1C[N@H+](CC)CCN1C(=O)CC[C@H]1CCC(=O)N1 ZINC000333961805 354821115 /nfs/dbraw/zinc/82/11/15/354821115.db2.gz MHBLZQFEUMMQSU-OLZOCXBDSA-N 1 0 281.400 0.988 10 0 CCAERO C[C@H](O)C[C@H]1COCCN1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333792650 354794937 /nfs/dbraw/zinc/79/49/37/354794937.db2.gz GKKFKGRPXGWUST-AVGNSLFASA-N 1 0 285.388 0.310 10 0 CCAERO CC[NH+]1CCC(NC(=O)N2C[C@H](C)C[C@H](O)C2)CC1 ZINC000334572099 354899272 /nfs/dbraw/zinc/89/92/72/354899272.db2.gz XOGNNNUSHLMMNR-YPMHNXCESA-N 1 0 269.389 0.883 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccn1C ZINC000334601006 354907004 /nfs/dbraw/zinc/90/70/04/354907004.db2.gz FDHNJWPIYMLBKQ-NEPJUHHUSA-N 1 0 283.397 0.882 10 0 CCAERO O=C(CN1CCCCC1=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000336004184 355071164 /nfs/dbraw/zinc/07/11/64/355071164.db2.gz HWQGHOQGGIMUOD-VXGBXAGGSA-N 1 0 265.357 0.067 10 0 CCAERO CC(C)[N@@H+]1CCCN(C(=O)[C@H]2CNC(=O)C2)CC1 ZINC000335934195 355052019 /nfs/dbraw/zinc/05/20/19/355052019.db2.gz XGVOGTUPWHKQAC-LLVKDONJSA-N 1 0 253.346 0.065 10 0 CCAERO C[C@H]1CN(C(=O)CCNC(=O)c2cccs2)C[C@@H]1[NH3+] ZINC000423944298 235125195 /nfs/dbraw/zinc/12/51/95/235125195.db2.gz GYVVDTKEMZBXHN-UWVGGRQHSA-N 1 0 281.381 0.674 10 0 CCAERO CCCN(CC(=O)NC)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089458341 283096424 /nfs/dbraw/zinc/09/64/24/283096424.db2.gz PDFLSWWJIQYZBS-GHMZBOCLSA-N 1 0 255.362 0.346 10 0 CCAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CC[C@@H](CCO)C2)C1 ZINC000341589759 355699108 /nfs/dbraw/zinc/69/91/08/355699108.db2.gz UFMRSYMFLGRFTC-YNEHKIRRSA-N 1 0 269.389 0.883 10 0 CCAERO Cc1noc(CN(C)C(=O)[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000655527291 412612669 /nfs/dbraw/zinc/61/26/69/412612669.db2.gz NEUJYIHVQWCOAN-VHSXEESVSA-N 1 0 252.318 0.854 10 0 CCAERO Cc1noc(CN(C)C(=O)[C@@]2(C)CCCC[NH2+]2)n1 ZINC000655527701 412613657 /nfs/dbraw/zinc/61/36/57/412613657.db2.gz YZSAKKXMFFNKFE-GFCCVEGCSA-N 1 0 252.318 0.869 10 0 CCAERO Cc1noc(CN(C)C(=O)[C@H]2CCC[C@H]2C[NH3+])n1 ZINC000655527213 412613722 /nfs/dbraw/zinc/61/37/22/412613722.db2.gz KPTCYPXFCYZHNS-UWVGGRQHSA-N 1 0 252.318 0.711 10 0 CCAERO CO[C@H]1C[C@@H](CN(C)C(=O)Cc2cc(C)on2)[N@H+](C)C1 ZINC000348214843 355890219 /nfs/dbraw/zinc/89/02/19/355890219.db2.gz IGTCXCDHHIEOAZ-STQMWFEESA-N 1 0 281.356 0.703 10 0 CCAERO C[C@@H](CC[NH+](C)C)NC(=O)N1CCCNC(=O)[C@@H]1C ZINC000364540639 357117498 /nfs/dbraw/zinc/11/74/98/357117498.db2.gz PYJOVSDVGQYRFO-QWRGUYRKSA-N 1 0 270.377 0.247 10 0 CCAERO Cn1nnnc1N1CCC([NH2+]C[C@@H]2CCSC2)CC1 ZINC000365939669 357177713 /nfs/dbraw/zinc/17/77/13/357177713.db2.gz BQSPCAOKDTVXLC-JTQLQIEISA-N 1 0 282.417 0.522 10 0 CCAERO CC(C)N1C(=O)CN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1(C)C ZINC000336285787 213124590 /nfs/dbraw/zinc/12/45/90/213124590.db2.gz WKXWWZYUHOAPHJ-NEPJUHHUSA-N 1 0 281.400 0.972 10 0 CCAERO CCS(=O)(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374269589 357397995 /nfs/dbraw/zinc/39/79/95/357397995.db2.gz JHIGZZONWAJUGL-GFCCVEGCSA-N 1 0 289.445 0.436 10 0 CCAERO Cc1noc(C)c1C[NH2+][C@H]1CCCN(CCO)C1 ZINC000384550105 357720311 /nfs/dbraw/zinc/72/03/11/357720311.db2.gz IAJGVSSSYABZDY-LBPRGKRZSA-N 1 0 253.346 0.838 10 0 CCAERO CCN1C[C@H]([NH2+]C[C@@H](O)COCc2ccco2)CC1=O ZINC000391507141 357746240 /nfs/dbraw/zinc/74/62/40/357746240.db2.gz JMGJDFORYDCKTP-VXGBXAGGSA-N 1 0 282.340 0.368 10 0 CCAERO Cc1ncsc1C[NH2+][C@@H]1CCCN(CCO)C1 ZINC000395139343 357760104 /nfs/dbraw/zinc/76/01/04/357760104.db2.gz SREQNDYMPQQVAM-LLVKDONJSA-N 1 0 255.387 0.998 10 0 CCAERO COC(=O)[C@@H]1CCC[N@H+](CC[C@@H]2CCNC2=O)C1 ZINC000395944985 357762622 /nfs/dbraw/zinc/76/26/22/357762622.db2.gz WHVGUBXNBNTLMV-WDEREUQCSA-N 1 0 254.330 0.398 10 0 CCAERO COC[C@H](NC(=O)C(C)(C)N1CC[NH2+]CC1)C1CC1 ZINC000397440597 357771745 /nfs/dbraw/zinc/77/17/45/357771745.db2.gz FGOMAQXBFYPZQP-LBPRGKRZSA-N 1 0 269.389 0.211 10 0 CCAERO NC(=O)c1cccc(C[NH2+]C2CCN(CCO)CC2)c1 ZINC000399143931 357782014 /nfs/dbraw/zinc/78/20/14/357782014.db2.gz VWVIQBQWGUYKNV-UHFFFAOYSA-N 1 0 277.368 0.332 10 0 CCAERO COc1cc(C[NH2+]C[C@@H]2CN(C)CCO2)sn1 ZINC000399226197 357782200 /nfs/dbraw/zinc/78/22/00/357782200.db2.gz XLLQASPHZXVEDL-SECBINFHSA-N 1 0 257.359 0.572 10 0 CCAERO Cc1noc(CN2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)n1 ZINC000407948037 357830207 /nfs/dbraw/zinc/83/02/07/357830207.db2.gz FGRRXOAOJHVFTJ-VHSXEESVSA-N 1 0 254.334 0.265 10 0 CCAERO CC(C)N(C)C(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000407962125 357840890 /nfs/dbraw/zinc/84/08/90/357840890.db2.gz LNQUNKXRMBWZOP-BFHYXJOUSA-N 1 0 284.400 0.715 10 0 CCAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3c[nH]cn3)CC2)CCO1 ZINC000407979227 357848866 /nfs/dbraw/zinc/84/88/66/357848866.db2.gz SSYWPIMZVUMTTG-LLVKDONJSA-N 1 0 278.356 0.735 10 0 CCAERO Cc1cnc(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)c(O)c1 ZINC000408065547 357898450 /nfs/dbraw/zinc/89/84/50/357898450.db2.gz ZMQMPOGVYKPQSW-YPMHNXCESA-N 1 0 291.351 0.641 10 0 CCAERO COC(=O)c1cnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)nc1 ZINC000408102650 357920690 /nfs/dbraw/zinc/92/06/90/357920690.db2.gz HKCVTDTYKDWCRI-CMPLNLGQSA-N 1 0 276.340 0.936 10 0 CCAERO Cc1cnc([C@@H](C)NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)o1 ZINC000408144253 357938415 /nfs/dbraw/zinc/93/84/15/357938415.db2.gz HXBIGEPKROSVLP-NEPJUHHUSA-N 1 0 278.356 0.550 10 0 CCAERO Cc1cnc([C@H](C)NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)o1 ZINC000408144255 357938543 /nfs/dbraw/zinc/93/85/43/357938543.db2.gz HXBIGEPKROSVLP-RYUDHWBXSA-N 1 0 278.356 0.550 10 0 CCAERO CC[C@@H]1C[C@H](C(=O)NC[C@@H]2CC[N@H+](C)C2)CC(=O)N1 ZINC000408200984 357966991 /nfs/dbraw/zinc/96/69/91/357966991.db2.gz CNBVMLGRHBHNTN-SDDRHHMPSA-N 1 0 267.373 0.359 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)NCC2(O)CCC2)C1 ZINC000408209264 357972226 /nfs/dbraw/zinc/97/22/26/357972226.db2.gz 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/nfs/dbraw/zinc/06/38/12/358063812.db2.gz WCTJSYUIKLRVNV-MRVPVSSYSA-N 1 0 278.282 0.371 10 0 CCAERO CC[C@@H]1CC[N@@H+]1CC(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000408383772 358065556 /nfs/dbraw/zinc/06/55/56/358065556.db2.gz XVRMLQONMAGSOR-QWHCGFSZSA-N 1 0 267.373 0.598 10 0 CCAERO C[C@@H]1C[N@H+](C)CCN1c1nccc(N[C@H]2CCCOC2)n1 ZINC000408433856 358091543 /nfs/dbraw/zinc/09/15/43/358091543.db2.gz NVEHFXBSDAVZMV-OLZOCXBDSA-N 1 0 291.399 0.630 10 0 CCAERO CC[C@@H]1C[C@H]1NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000408418246 358082911 /nfs/dbraw/zinc/08/29/11/358082911.db2.gz WBFCRUSSFIHIPU-UMSGYPCISA-N 1 0 269.389 0.881 10 0 CCAERO CN(C)[C@H](C[NH3+])c1ccc(N2CCN(C)CC2)o1 ZINC000409441780 358114452 /nfs/dbraw/zinc/11/44/52/358114452.db2.gz QTGQXSRUGQADBS-LLVKDONJSA-N 1 0 252.362 0.593 10 0 CCAERO C[NH+](C)CCN(C(=O)c1cnn2ccncc12)C1CC1 ZINC000329249851 202252202 /nfs/dbraw/zinc/25/22/02/202252202.db2.gz AVXKUHXCECIFDM-UHFFFAOYSA-N 1 0 273.340 0.896 10 0 CCAERO CCCNC(=O)CN(C)C(=O)CN1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000233032395 283364693 /nfs/dbraw/zinc/36/46/93/283364693.db2.gz RDPLRZHCLJQFOE-QWHCGFSZSA-N 1 0 298.431 0.030 10 0 CCAERO NC(=O)c1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000038050295 283382635 /nfs/dbraw/zinc/38/26/35/283382635.db2.gz RULPUYXMMNPZSO-NEPJUHHUSA-N 1 0 297.380 0.334 10 0 CCAERO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(F)(F)CN2)C1 ZINC000571044246 358906409 /nfs/dbraw/zinc/90/64/09/358906409.db2.gz SBJQSCHWRVZYCE-QWRGUYRKSA-N 1 0 275.343 0.830 10 0 CCAERO S=C(SCCN1CCOCC1)N1CC[NH2+]CC1 ZINC000584626141 359183088 /nfs/dbraw/zinc/18/30/88/359183088.db2.gz SKHKEUAVPDYZFZ-UHFFFAOYSA-N 1 0 275.443 0.242 10 0 CCAERO CCCS(=O)(=O)CCN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261552699 283420683 /nfs/dbraw/zinc/42/06/83/283420683.db2.gz NFVRBDXAHCYDMS-VXGBXAGGSA-N 1 0 260.403 0.353 10 0 CCAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)N1CCN(C2CC2)CC1 ZINC000334954685 291193100 /nfs/dbraw/zinc/19/31/00/291193100.db2.gz CXFCEVRQJCMCFX-DGCLKSJQSA-N 1 0 266.389 0.617 10 0 CCAERO C[N@@H+]1CC[C@H]2CCN(C(=O)CCc3c[nH]cn3)[C@@H]2C1 ZINC000329525023 202371846 /nfs/dbraw/zinc/37/18/46/202371846.db2.gz SKSSWWIWBYBFGA-WCQYABFASA-N 1 0 262.357 0.895 10 0 CCAERO COC(=O)[C@H]1CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000563336977 291214117 /nfs/dbraw/zinc/21/41/17/291214117.db2.gz VFUIRPNRLXCQBJ-OUAUKWLOSA-N 1 0 254.330 0.254 10 0 CCAERO COC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000593911745 360207269 /nfs/dbraw/zinc/20/72/69/360207269.db2.gz JUCPURSPWKCIPU-MXWKQRLJSA-N 1 0 254.330 0.525 10 0 CCAERO COC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000593912179 360208390 /nfs/dbraw/zinc/20/83/90/360208390.db2.gz XTHMVNJXRLKNIL-UTUOFQBUSA-N 1 0 268.357 0.916 10 0 CCAERO O=C(Nc1cccnc1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177697004 189063800 /nfs/dbraw/zinc/06/38/00/189063800.db2.gz RBOACSCJUGACKL-GFCCVEGCSA-N 1 0 274.324 0.327 10 0 CCAERO CCC[C@@H](NC(N)=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000262829037 283558765 /nfs/dbraw/zinc/55/87/65/283558765.db2.gz UTPITEALLFIXBL-LPEHRKFASA-N 1 0 256.350 0.080 10 0 CCAERO COC(=O)c1ccc(C[NH2+][C@@H]2CCNC2=O)cc1F ZINC000597171438 361022749 /nfs/dbraw/zinc/02/27/49/361022749.db2.gz QCQZGMVMUSGJRT-LLVKDONJSA-N 1 0 266.272 0.590 10 0 CCAERO COC(=O)[C@@H](NC(=O)[C@@H]1CCC[NH2+][C@@H]1C)C(C)C ZINC000377571239 291262774 /nfs/dbraw/zinc/26/27/74/291262774.db2.gz JDDOWOVKZGNCFU-MXWKQRLJSA-N 1 0 256.346 0.688 10 0 CCAERO O=C([C@@H]1CCNCC1(F)F)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000336509701 296037727 /nfs/dbraw/zinc/03/77/27/296037727.db2.gz KZLOCBDHZYHIIY-WCQYABFASA-N 1 0 287.354 0.833 10 0 CCAERO C[C@H]1CN(CC(=O)NCc2cccs2)C[C@H]1C[NH3+] ZINC000631842972 370707763 /nfs/dbraw/zinc/70/77/63/370707763.db2.gz IBVNWEWLIRXXNL-WDEREUQCSA-N 1 0 267.398 0.891 10 0 CCAERO C[C@@H]1CN(CC(=O)NCc2cccs2)C[C@@H]1C[NH3+] ZINC000631842970 370708770 /nfs/dbraw/zinc/70/87/70/370708770.db2.gz IBVNWEWLIRXXNL-MNOVXSKESA-N 1 0 267.398 0.891 10 0 CCAERO Cc1cc(C)n2nc(C(=O)N3C[C@H](C)[C@H]([NH3+])C3)nc2n1 ZINC000564955907 291325750 /nfs/dbraw/zinc/32/57/50/291325750.db2.gz CEGTUENTUFIEOK-OIBJUYFYSA-N 1 0 274.328 0.160 10 0 CCAERO Cc1ncc(S(=O)(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)s1 ZINC000631967928 370796571 /nfs/dbraw/zinc/79/65/71/370796571.db2.gz OWFZSSIKAUULIC-APPZFPTMSA-N 1 0 275.399 0.667 10 0 CCAERO O=C(c1c[nH]nc1[C@H]1CCOC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000275516765 193063411 /nfs/dbraw/zinc/06/34/11/193063411.db2.gz LSFJVUZNTWKDLK-NWDGAFQWSA-N 1 0 290.367 0.834 10 0 CCAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCOC[C@@H](CCO)C1 ZINC000616664434 365416829 /nfs/dbraw/zinc/41/68/29/365416829.db2.gz SJOAJAOGYHBYGB-LBPRGKRZSA-N 1 0 288.388 0.842 10 0 CCAERO [NH3+]CCN1CCO[C@H](c2ccccc2CCO)CC1 ZINC000616665605 365418411 /nfs/dbraw/zinc/41/84/11/365418411.db2.gz NYHCBWMRUGVBDX-HNNXBMFYSA-N 1 0 264.369 0.944 10 0 CCAERO CC(C)(C)OC(=O)NCC[C@@H]1CCN(CC[NH3+])CCO1 ZINC000616665553 365418836 /nfs/dbraw/zinc/41/88/36/365418836.db2.gz MCZFUDSNWPUNFJ-GFCCVEGCSA-N 1 0 287.404 0.951 10 0 CCAERO OCCN1CC[NH2+][C@H](c2ccc3ccnnc3c2)C1 ZINC000616633610 365391736 /nfs/dbraw/zinc/39/17/36/365391736.db2.gz CSYKGAHOUIVCIX-AWEZNQCLSA-N 1 0 258.325 0.568 10 0 CCAERO OCCc1ccccc1[C@@H]1C[NH2+]CCN1CCO ZINC000616636489 365395315 /nfs/dbraw/zinc/39/53/15/365395315.db2.gz UPQYLDJPKLUQSV-AWEZNQCLSA-N 1 0 250.342 0.160 10 0 CCAERO CC(C)(C)OC(=O)NCC[C@@H]1COCCCN1CC[NH3+] ZINC000616644973 365403460 /nfs/dbraw/zinc/40/34/60/365403460.db2.gz KVHOZRRLTCFCPX-GFCCVEGCSA-N 1 0 287.404 0.951 10 0 CCAERO NC(=O)c1cccc([C@@H]2COCCCN2CC[NH3+])c1 ZINC000616646462 365405789 /nfs/dbraw/zinc/40/57/89/365405789.db2.gz XBVDGGSRQYNLJI-ZDUSSCGKSA-N 1 0 263.341 0.508 10 0 CCAERO [NH3+][C@@H]1CN(S(=O)(=O)c2ccccc2)CCCO1 ZINC000616650266 365408360 /nfs/dbraw/zinc/40/83/60/365408360.db2.gz DAAVFQSRYJNMQO-NSHDSACASA-N 1 0 256.327 0.382 10 0 CCAERO NS(=O)(=O)N1CC[NH2+][C@@H](c2cccc3ncccc32)C1 ZINC000616655094 365411647 /nfs/dbraw/zinc/41/16/47/365411647.db2.gz UHIVGZSNSHUSCZ-CYBMUJFWSA-N 1 0 292.364 0.385 10 0 CCAERO CC(C)(C)OC(=O)NCCN1CCOCC[C@@H]1C[NH3+] ZINC000616659200 365412438 /nfs/dbraw/zinc/41/24/38/365412438.db2.gz ZWZYNCXTJSYART-LLVKDONJSA-N 1 0 273.377 0.561 10 0 CCAERO OCC[N@@H+]1CCOC[C@H](c2ccc(CO)cc2)C1 ZINC000616659290 365412489 /nfs/dbraw/zinc/41/24/89/365412489.db2.gz IKCLIAKJNDTZBX-CQSZACIVSA-N 1 0 251.326 0.587 10 0 CCAERO NS(=O)(=O)N1CC[NH2+][C@H](c2cccc3ccncc32)C1 ZINC000616600697 365380643 /nfs/dbraw/zinc/38/06/43/365380643.db2.gz ARWRUYYUDGHRSF-ZDUSSCGKSA-N 1 0 292.364 0.385 10 0 CCAERO CC(=O)Nc1ccccc1[C@H]1COCCN1CC[NH3+] ZINC000616600199 365381014 /nfs/dbraw/zinc/38/10/14/365381014.db2.gz BNQHYYGXVFKBGY-CQSZACIVSA-N 1 0 263.341 0.977 10 0 CCAERO [NH3+]CCN1CCCO[C@H](c2cccc(CCO)c2)C1 ZINC000616680203 365422883 /nfs/dbraw/zinc/42/28/83/365422883.db2.gz PDLAZTUWMSHVBT-HNNXBMFYSA-N 1 0 264.369 0.944 10 0 CCAERO CC(C)(C)n1cc(C[NH2+][C@H]2CCOC[C@H]2O)cn1 ZINC000623764313 367648560 /nfs/dbraw/zinc/64/85/60/367648560.db2.gz BULINSVDMPHMCG-NWDGAFQWSA-N 1 0 253.346 0.878 10 0 CCAERO Cn1ncc(Br)c1C[NH2+][C@H]1CCOC[C@@H]1O ZINC000623766594 367652734 /nfs/dbraw/zinc/65/27/34/367652734.db2.gz ISGAGOZFQNVYOJ-WPRPVWTQSA-N 1 0 290.161 0.422 10 0 CCAERO COc1cc(C)nc(C[NH2+][C@H]2CCOC[C@H]2O)c1 ZINC000623767563 367653600 /nfs/dbraw/zinc/65/36/00/367653600.db2.gz XZNPSOGOTUGBHW-QWHCGFSZSA-N 1 0 252.314 0.638 10 0 CCAERO O=C([C@H]1CCC[NH2+]1)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000261747127 296107450 /nfs/dbraw/zinc/10/74/50/296107450.db2.gz PWKQGPBFRFWCKB-PSASIEDQSA-N 1 0 266.263 0.654 10 0 CCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCOC2CCOCC2)C1 ZINC000625406078 368183731 /nfs/dbraw/zinc/18/37/31/368183731.db2.gz ZIQNWJOKEYYZIX-WCQYABFASA-N 1 0 259.346 0.264 10 0 CCAERO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C2[C@@H]3CCCC[C@H]23)C1 ZINC000226236473 189770090 /nfs/dbraw/zinc/77/00/90/189770090.db2.gz GTARLEHLQZGZFJ-HABKJSAYSA-N 1 0 293.411 0.736 10 0 CCAERO Cn1ccc(C[N@@H+]2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)c1 ZINC000628376201 369253822 /nfs/dbraw/zinc/25/38/22/369253822.db2.gz KAISWLROPFGGFM-ZIAGYGMSSA-N 1 0 276.340 0.383 10 0 CCAERO CO[C@@H]1CN(CCO[C@H]2CC2(F)F)[C@](C)(C[NH3+])C1 ZINC000630362916 370064109 /nfs/dbraw/zinc/06/41/09/370064109.db2.gz ALDLYHBZZNFJAA-DCAQKATOSA-N 1 0 264.316 0.849 10 0 CCAERO CO[C@@H]1CN(Cc2nnn(C(C)(C)C)n2)[C@@](C)(C[NH3+])C1 ZINC000630364521 370065414 /nfs/dbraw/zinc/06/54/14/370065414.db2.gz FCAZGEBMYFDZSQ-GXFFZTMASA-N 1 0 282.392 0.366 10 0 CCAERO CCC(C)(C)NC(=O)CN1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630365360 370066467 /nfs/dbraw/zinc/06/64/67/370066467.db2.gz XSTNEEAHDSJUAH-RISCZKNCSA-N 1 0 271.405 0.729 10 0 CCAERO CO[C@@H]1CN(C(=O)c2cn(C)nc2C)[C@@](C)(C[NH3+])C1 ZINC000630369110 370070149 /nfs/dbraw/zinc/07/01/49/370070149.db2.gz JELCZODPVYMBKV-GXFFZTMASA-N 1 0 266.345 0.307 10 0 CCAERO CO[C@@H]1CN(C(=O)CC[C@H]2CCCO2)[C@](C)(C[NH3+])C1 ZINC000630368812 370070182 /nfs/dbraw/zinc/07/01/82/370070182.db2.gz IAPREMHADISCEF-DYEKYZERSA-N 1 0 270.373 0.910 10 0 CCAERO CO[C@@H]1CN(C(=O)[C@H]2CCCS2)[C@](C)(C[NH3+])C1 ZINC000630373214 370074018 /nfs/dbraw/zinc/07/40/18/370074018.db2.gz YUFAQNJQJTUDCM-UMNHJUIQSA-N 1 0 258.387 0.847 10 0 CCAERO CO[C@@H]1CN(C(=O)c2ocnc2C)[C@](C)(C[NH3+])C1 ZINC000630374866 370076156 /nfs/dbraw/zinc/07/61/56/370076156.db2.gz PHMKYOPVQIWWSB-CABZTGNLSA-N 1 0 253.302 0.561 10 0 CCAERO CCCOc1nccnc1N1CCCO[C@@H](C[NH3+])C1 ZINC000630516274 370141595 /nfs/dbraw/zinc/14/15/95/370141595.db2.gz LOHIMJNKSBMISO-NSHDSACASA-N 1 0 266.345 0.819 10 0 CCAERO CCOc1cc(N(C)CCOCC[NH2+]C)nc(C)n1 ZINC000630527992 370146759 /nfs/dbraw/zinc/14/67/59/370146759.db2.gz CKDKBVHSZQTARK-UHFFFAOYSA-N 1 0 268.361 0.856 10 0 CCAERO COc1cc(OC)nc(N[C@H]2CC[C@@H](C)[NH2+]C2)n1 ZINC000630534476 370154593 /nfs/dbraw/zinc/15/45/93/370154593.db2.gz XRZXHUXHMWKFRZ-BDAKNGLRSA-N 1 0 252.318 0.468 10 0 CCAERO O=C(N[C@H]1CCSC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336591485 284218359 /nfs/dbraw/zinc/21/83/59/284218359.db2.gz HFMORDJFQZWKAS-WDEREUQCSA-N 1 0 255.387 0.982 10 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FJGIAWLQZLWWKV-RYUDHWBXSA-N 1 0 260.403 0.638 10 0 CCAERO C[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](CO)C2)C[N@@H+]1C1CC1 ZINC000333073786 205006049 /nfs/dbraw/zinc/00/60/49/205006049.db2.gz KSSTZSRHUQIZEJ-NTZNESFSSA-N 1 0 283.372 0.014 10 0 CCAERO C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000333206120 205118394 /nfs/dbraw/zinc/11/83/94/205118394.db2.gz APWHZQHIVHSZGG-RDBSUJKOSA-N 1 0 293.411 0.988 10 0 CCAERO CCc1nc([C@H](C)NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)cs1 ZINC000333353128 205244821 /nfs/dbraw/zinc/24/48/21/205244821.db2.gz JWZGLMZJSWCKCW-LSJOCFKGSA-N 1 0 298.412 0.741 10 0 CCAERO CN(C(=O)NC[C@]1(C)CCCS1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333411915 205298765 /nfs/dbraw/zinc/29/87/65/205298765.db2.gz RHUINTBTYPXYGI-NHCYSSNCSA-N 1 0 273.402 0.246 10 0 CCAERO Cn1c(CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)nc2ccccc21 ZINC000333415522 205302091 /nfs/dbraw/zinc/30/20/91/205302091.db2.gz RVDRYBZTRNVYRD-TXEJJXNPSA-N 1 0 299.378 0.934 10 0 CCAERO CC[N@@H+]1CCC[C@H](NS(=O)(=O)[C@H]2CCO[C@H](C)C2)C1 ZINC000333386201 205276081 /nfs/dbraw/zinc/27/60/81/205276081.db2.gz GGCYEOQWXFGUFX-AGIUHOORSA-N 1 0 290.429 0.958 10 0 CCAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CCC[C@@](F)(CO)C1 ZINC000333478913 205357238 /nfs/dbraw/zinc/35/72/38/205357238.db2.gz BWEBGQJPTGISFT-AAEUAGOBSA-N 1 0 273.352 0.635 10 0 CCAERO CS[C@@H]1CCC[C@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000333466370 205346133 /nfs/dbraw/zinc/34/61/33/205346133.db2.gz ZZMMBSNLLDSKMR-USZNOCQGSA-N 1 0 287.429 0.635 10 0 CCAERO CC(C)(C)N1C[C@@H](NC(=O)NC[C@@H]2CC[NH2+]C2)CC1=O ZINC000333487280 205365704 /nfs/dbraw/zinc/36/57/04/205365704.db2.gz CBZYZQKIGSOQNF-MNOVXSKESA-N 1 0 282.388 0.295 10 0 CCAERO CN(C(=O)NCC1C(C)(C)C1(C)C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333491154 205371063 /nfs/dbraw/zinc/37/10/63/205371063.db2.gz CLDGTZMJCQSBAX-UWVGGRQHSA-N 1 0 269.389 0.643 10 0 CCAERO CCO[C@@H]1C[C@H](NC(=O)N2CC[NH2+]C[C@@H]2C)[C@@]12CCCO2 ZINC000333711524 205626272 /nfs/dbraw/zinc/62/62/72/205626272.db2.gz FNAJCMHTYAASAF-XPCVCDNBSA-N 1 0 297.399 0.716 10 0 CCAERO CN(C(=O)NC[C@@H]1CCCSC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333790740 205708734 /nfs/dbraw/zinc/70/87/34/205708734.db2.gz MJSGPJWOYMKOPJ-DCAQKATOSA-N 1 0 273.402 0.104 10 0 CCAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)N1CC(NC(=O)C2CC2)C1 ZINC000333825981 205747024 /nfs/dbraw/zinc/74/70/24/205747024.db2.gz LOVDEJCZWIVWNB-BXKDBHETSA-N 1 0 280.372 0.047 10 0 CCAERO CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000637849747 374406257 /nfs/dbraw/zinc/40/62/57/374406257.db2.gz HUIKPSQYDVVTQM-XQQFMLRXSA-N 1 0 269.389 0.781 10 0 CCAERO C[C@]1(C(=O)N2CCO[C@H]3CCCC[C@H]32)C[NH2+]CCO1 ZINC000637933625 374486206 /nfs/dbraw/zinc/48/62/06/374486206.db2.gz OOYTZYIXQWKBKN-MBNYWOFBSA-N 1 0 268.357 0.535 10 0 CCAERO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CCCOC1 ZINC000637982058 374525638 /nfs/dbraw/zinc/52/56/38/374525638.db2.gz PDYNEHVKCVMKSR-GJZGRUSLSA-N 1 0 291.395 0.741 10 0 CCAERO C[C@@H]1C[C@H](C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)[C@@H](C)O1 ZINC000638166404 374746509 /nfs/dbraw/zinc/74/65/09/374746509.db2.gz GOLHTBAYEFJWBF-QXMWZZNTSA-N 1 0 252.358 0.996 10 0 CCAERO CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000638166334 374747031 /nfs/dbraw/zinc/74/70/31/374747031.db2.gz RYTFMWDZLDQOAA-VXGBXAGGSA-N 1 0 255.362 0.263 10 0 CCAERO CCC[C@H](CNC(=O)[C@@H]1C[NH2+]CCOC1)OCC ZINC000638456571 375060206 /nfs/dbraw/zinc/06/02/06/375060206.db2.gz DMMOHZGLQLANFH-VXGBXAGGSA-N 1 0 258.362 0.544 10 0 CCAERO O=C(NC[C@@H]1Cc2ccccc2CO1)[C@H]1CC[NH2+]C1 ZINC000638459212 375063906 /nfs/dbraw/zinc/06/39/06/375063906.db2.gz IKJKWRLGXJVMEZ-JSGCOSHPSA-N 1 0 260.337 0.854 10 0 CCAERO [NH3+]CC1(C(=O)N2CCO[C@H](CCF)C2)CCOCC1 ZINC000638684295 375292575 /nfs/dbraw/zinc/29/25/75/375292575.db2.gz RJKPNCILILINGK-LLVKDONJSA-N 1 0 274.336 0.329 10 0 CCAERO CCN1CC[C@H](NC(=O)[C@@H]2CCC[NH2+][C@H]2C)C1=O ZINC000638826560 375393834 /nfs/dbraw/zinc/39/38/34/375393834.db2.gz PVZVZOXPTUNTFG-AXFHLTTASA-N 1 0 253.346 0.112 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H]1CCN(C2CCC2)C1=O ZINC000638800131 375374201 /nfs/dbraw/zinc/37/42/01/375374201.db2.gz UENZYNBLLIGMTR-NWDGAFQWSA-N 1 0 267.373 0.629 10 0 CCAERO CCc1nnsc1C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638886945 375426395 /nfs/dbraw/zinc/42/63/95/375426395.db2.gz MNCFCQAXUMDXBV-SFYZADRCSA-N 1 0 254.359 0.767 10 0 CCAERO C[C@H]1CN(C(=O)CCNC(=O)C(C)(C)C)C[C@H]1C[NH3+] ZINC000638889770 375429270 /nfs/dbraw/zinc/42/92/70/375429270.db2.gz QCIHSNMEPFQURV-WDEREUQCSA-N 1 0 269.389 0.592 10 0 CCAERO C[C@@H]1CN(C(=O)CCNC(=O)C(C)(C)C)C[C@H]1C[NH3+] ZINC000638889766 375429563 /nfs/dbraw/zinc/42/95/63/375429563.db2.gz QCIHSNMEPFQURV-GHMZBOCLSA-N 1 0 269.389 0.592 10 0 CCAERO CC(=O)N[C@@H](CC(C)C)C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638902628 375439975 /nfs/dbraw/zinc/43/99/75/375439975.db2.gz LGUFMEUMUNSULG-DRZSPHRISA-N 1 0 269.389 0.590 10 0 CCAERO CC[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@@H]1OC)[C@H]1C[C@@H]1C ZINC000639309448 375716599 /nfs/dbraw/zinc/71/65/99/375716599.db2.gz LQTRWISYLJUWSE-NGDQXYMTSA-N 1 0 261.387 0.823 10 0 CCAERO C[NH+](C)/C=C1/CN(C(=O)OC(C)(C)C)C[C@H]1NN ZINC000261507013 190039770 /nfs/dbraw/zinc/03/97/70/190039770.db2.gz DLOSYSCMXXNWQY-ABRRARGCSA-N 1 0 256.350 0.515 10 0 CCAERO C[C@@H]1CN(CC[N@@H+]2CC[C@@H](O)C[C@H]2C)C[C@H](C)O1 ZINC000639938761 376137571 /nfs/dbraw/zinc/13/75/71/376137571.db2.gz LLYLAYZIXZHWLQ-YIYPIFLZSA-N 1 0 256.390 0.941 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CN1CCCNC1=O ZINC000334341279 206394610 /nfs/dbraw/zinc/39/46/10/206394610.db2.gz IUYUSYZAEVVUSE-NEPJUHHUSA-N 1 0 280.372 0.097 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CN1CCCNC1=O ZINC000334341280 206396156 /nfs/dbraw/zinc/39/61/56/206396156.db2.gz IUYUSYZAEVVUSE-NWDGAFQWSA-N 1 0 280.372 0.097 10 0 CCAERO COc1cc(CN2C[C@H](OC)C[C@@]2(C)C[NH3+])on1 ZINC000641821633 377492696 /nfs/dbraw/zinc/49/26/96/377492696.db2.gz NDPVZYHBBSXCAB-PWSUYJOCSA-N 1 0 255.318 0.621 10 0 CCAERO COC1CCC(NC(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000334925591 284760888 /nfs/dbraw/zinc/76/08/88/284760888.db2.gz MLNKPWBBOLYJGB-VOMCLLRMSA-N 1 0 255.362 0.947 10 0 CCAERO Cc1ccc(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@H]2C)cc1 ZINC000334878939 207232079 /nfs/dbraw/zinc/23/20/79/207232079.db2.gz GFUUCHFYOGBKNW-PWSUYJOCSA-N 1 0 261.325 0.882 10 0 CCAERO C[C@H](NC(=O)NC[C@H](O)C[NH+]1CCCCC1)[C@H]1CCCO1 ZINC000192805246 284920496 /nfs/dbraw/zinc/92/04/96/284920496.db2.gz UPZIBFQULQBMDU-MELADBBJSA-N 1 0 299.415 0.700 10 0 CCAERO C[C@@H]1CN(C(=O)N2CC(O)(C3CC3)C2)C[C@@]1(C)C[NH3+] ZINC000334941590 207330763 /nfs/dbraw/zinc/33/07/63/207330763.db2.gz VNGIWDCGNCQJRF-ZWNOBZJWSA-N 1 0 267.373 0.480 10 0 CCAERO CC[C@H](CO)[NH2+]C[C@H](O)c1ccc2c(c1)OCCO2 ZINC000037888157 184542647 /nfs/dbraw/zinc/54/26/47/184542647.db2.gz YPEABPJQJAQTLH-NEPJUHHUSA-N 1 0 267.325 0.852 10 0 CCAERO O=S(=O)(C[C@H]1CCCC1(F)F)NC1C[NH2+]C1 ZINC000334970242 207389761 /nfs/dbraw/zinc/38/97/61/207389761.db2.gz RWLFYLIHJDGIKQ-SSDOTTSWSA-N 1 0 254.302 0.313 10 0 CCAERO C[C@H]1CN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CCS1 ZINC000334975229 207399775 /nfs/dbraw/zinc/39/97/75/207399775.db2.gz PIBUHPYPDZSJKV-QWRGUYRKSA-N 1 0 285.413 0.209 10 0 CCAERO C[C@@H]1CN(C(=O)C(=O)N2CCC3(C2)CCCCC3)C[C@@H]1[NH3+] ZINC000335027754 207496132 /nfs/dbraw/zinc/49/61/32/207496132.db2.gz IYSLSIFAESBYSE-OLZOCXBDSA-N 1 0 293.411 0.975 10 0 CCAERO CC[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C)O2)CC[N@@H+]1C[C@@H](C)O ZINC000246102713 285004237 /nfs/dbraw/zinc/00/42/37/285004237.db2.gz WQBMQVGKKVWOJW-SYQHCUMBSA-N 1 0 284.400 0.858 10 0 CCAERO CCC[C@H](C(=O)OCC)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000246700833 285029412 /nfs/dbraw/zinc/02/94/12/285029412.db2.gz KBBSEEWPDNMUFK-QWHCGFSZSA-N 1 0 272.389 0.981 10 0 CCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2csnn2)C1 ZINC000246792882 285033088 /nfs/dbraw/zinc/03/30/88/285033088.db2.gz CTIKCIFPOBIQSR-DTWKUNHWSA-N 1 0 254.359 0.997 10 0 CCAERO CC[C@@H]1CN(C(=O)[C@H]2CCCOC2)CC[N@@H+]1C[C@H](C)O ZINC000246944052 285038047 /nfs/dbraw/zinc/03/80/47/285038047.db2.gz RWCWFXNMVIUWJC-MELADBBJSA-N 1 0 284.400 0.717 10 0 CCAERO CC[C@@H]1CN(C[C@H](O)Cn2cccn2)CC[N@@H+]1C[C@H](C)O ZINC000247034323 285040872 /nfs/dbraw/zinc/04/08/72/285040872.db2.gz DIAHUMUYIMANAZ-ZNMIVQPWSA-N 1 0 296.415 0.021 10 0 CCAERO Cc1nnc([C@H](C)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)o1 ZINC000247233275 285045627 /nfs/dbraw/zinc/04/56/27/285045627.db2.gz RMOWOXHPIFTVQB-VWYCJHECSA-N 1 0 268.361 0.826 10 0 CCAERO NC(=O)[C@@H]1CCCN(C(=O)C[NH+]2C[C@H]3CCC[C@@H]3C2)C1 ZINC000247445564 285051500 /nfs/dbraw/zinc/05/15/00/285051500.db2.gz SHYDHDZBMKEUBM-JHJVBQTASA-N 1 0 279.384 0.442 10 0 CCAERO C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000247644680 285056958 /nfs/dbraw/zinc/05/69/58/285056958.db2.gz UDLPHPZYZZUFHL-JHJVBQTASA-N 1 0 281.400 0.831 10 0 CCAERO COCCN1C[C@H]2C[N@@H+](C3CCC3)CCN2C1=O ZINC000077266933 285063546 /nfs/dbraw/zinc/06/35/46/285063546.db2.gz ZPAMKJACTKJOQS-GFCCVEGCSA-N 1 0 253.346 0.607 10 0 biogenic CCAERO C[C@@H](CNC(=O)[C@H]1CCOC[C@H]1C)N1CCOCC1 ZINC000248842282 285083964 /nfs/dbraw/zinc/08/39/64/285083964.db2.gz GLUTTZVWVXRTCJ-AGIUHOORSA-N 1 0 270.373 0.496 10 0 CCAERO C[C@H](C(F)(F)F)S(=O)(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000335398611 208371349 /nfs/dbraw/zinc/37/13/49/208371349.db2.gz IVVNOECBJSJMFJ-HTQZYQBOSA-N 1 0 274.308 0.938 10 0 CCAERO CO[C@H](C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)c1cnn(C)c1 ZINC000281127459 195114325 /nfs/dbraw/zinc/11/43/25/195114325.db2.gz COYHVOQTMNCBDM-UBHSHLNASA-N 1 0 292.383 0.803 10 0 CCAERO [NH3+][C@@H]1CC[C@H]2CN(Cc3nnnn3Cc3ccccc3)C[C@H]12 ZINC000393942840 285213046 /nfs/dbraw/zinc/21/30/46/285213046.db2.gz MCKZNTOEVDSSSG-SOUVJXGZSA-N 1 0 298.394 0.891 10 0 CCAERO COCC[N@@H+]1C[C@@H]2CC[C@]3(N=C(C)N(C)C3=O)[C@@H]2C1 ZINC000248050627 256693034 /nfs/dbraw/zinc/69/30/34/256693034.db2.gz RANFFLVEZJIZIF-SCRDCRAPSA-N 1 0 265.357 0.604 10 0 CCAERO Cn1ncc2c1ncnc2N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000285246712 388790125 /nfs/dbraw/zinc/79/01/25/388790125.db2.gz YVCWEECEAYGVOW-RYUDHWBXSA-N 1 0 288.355 0.273 10 0 CCAERO [NH3+]Cc1ccc(C(=O)NC[C@H]2CN(C3CC3)CCO2)cc1 ZINC000186452228 388837397 /nfs/dbraw/zinc/83/73/97/388837397.db2.gz ISKCSHZJHPJWMZ-HNNXBMFYSA-N 1 0 289.379 0.738 10 0 CCAERO CCO[C@@H]1C[C@H]([NH2+]CCCOCCO)C12CCOCC2 ZINC000186498065 388838974 /nfs/dbraw/zinc/83/89/74/388838974.db2.gz SSVUIWJQLGDTPH-UONOGXRCSA-N 1 0 287.400 0.949 10 0 CCAERO CCN(CCCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)c1ccccc1 ZINC000040833124 388857793 /nfs/dbraw/zinc/85/77/93/388857793.db2.gz GTIOLQRVNHVNTI-GJZGRUSLSA-N 1 0 291.395 0.742 10 0 CCAERO CCC[C@H]([NH3+])C(=O)N1CCCN(C(=O)CC)CC1 ZINC000038101609 388849564 /nfs/dbraw/zinc/84/95/64/388849564.db2.gz WJOWPHNRKXAOHD-NSHDSACASA-N 1 0 255.362 0.585 10 0 CCAERO O=C1CNC(=O)N1CCN1CCO[C@@H]2CCCC[C@H]21 ZINC000063567255 388941650 /nfs/dbraw/zinc/94/16/50/388941650.db2.gz SVQGRNYJLBMUNN-GHMZBOCLSA-N 1 0 267.329 0.182 10 0 CCAERO COc1c(C[NH2+]C[C@H]2CC[C@@H](O)C2)c(C)nn1C ZINC000188813553 388942438 /nfs/dbraw/zinc/94/24/38/388942438.db2.gz IKCVBCBXPZCUQC-WDEREUQCSA-N 1 0 253.346 0.988 10 0 CCAERO CCOCC[N@@H+]1CCN([C@@H](C)c2nnnn2C)C[C@@H]1CC ZINC000189162021 388950486 /nfs/dbraw/zinc/95/04/86/388950486.db2.gz PBNPMLLSEHPVEK-STQMWFEESA-N 1 0 296.419 0.704 10 0 CCAERO CCN1CN(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1=O ZINC000189996350 388980904 /nfs/dbraw/zinc/98/09/04/388980904.db2.gz ZGADWUZYZOKCHT-NWDGAFQWSA-N 1 0 282.388 0.546 10 0 CCAERO CCNC(=O)CC[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000075889436 388984800 /nfs/dbraw/zinc/98/48/00/388984800.db2.gz JKFNUFYZDHKKQS-CYBMUJFWSA-N 1 0 269.389 0.309 10 0 CCAERO [NH3+]C[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O ZINC000079061840 388993767 /nfs/dbraw/zinc/99/37/67/388993767.db2.gz BAVIXXLKZKLSDS-VXGBXAGGSA-N 1 0 250.298 0.575 10 0 CCAERO CO[C@@H]1C[C@@H](CO)[N@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000307992310 389092209 /nfs/dbraw/zinc/09/22/09/389092209.db2.gz XWCPCBAXOOEWSH-DJLDLDEBSA-N 1 0 257.252 0.381 10 0 CCAERO CO[C@@H](C)CS(=O)(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000192907446 389058121 /nfs/dbraw/zinc/05/81/21/389058121.db2.gz VVMHZVHRHPMYNA-LBPRGKRZSA-N 1 0 290.429 0.911 10 0 CCAERO CC(=O)N[C@H]1CCCN(c2cc[nH+]cc2C(N)=O)C1 ZINC000302026568 389062580 /nfs/dbraw/zinc/06/25/80/389062580.db2.gz LHBCKSMHWLUGRJ-JTQLQIEISA-N 1 0 262.313 0.285 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCn2ccnc2)C1 ZINC000194132303 389088760 /nfs/dbraw/zinc/08/87/60/389088760.db2.gz YJZLAVNCIVESHX-LBPRGKRZSA-N 1 0 265.361 0.667 10 0 CCAERO C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C[C@@H]1O ZINC000305765454 389089067 /nfs/dbraw/zinc/08/90/67/389089067.db2.gz QSWDLEBONZHKQH-CBBWQLFWSA-N 1 0 296.411 0.859 10 0 CCAERO CCN1CCO[C@@H](C[NH2+]Cc2snnc2C)C1 ZINC000310555855 389096966 /nfs/dbraw/zinc/09/69/66/389096966.db2.gz YFNGJAOIMGVART-JTQLQIEISA-N 1 0 256.375 0.657 10 0 CCAERO C[C@H](NS(=O)(=O)C[C@H]1C[NH2+]CCO1)C1CCCC1 ZINC000310932724 389099898 /nfs/dbraw/zinc/09/98/98/389099898.db2.gz JBLZTMABUOGAAY-CMPLNLGQSA-N 1 0 276.402 0.473 10 0 CCAERO Cc1cnc(CNC[C@H](O)C[NH+]2CCCCC2)o1 ZINC000310922310 389099960 /nfs/dbraw/zinc/09/99/60/389099960.db2.gz SPYBPXDGCDNINV-LBPRGKRZSA-N 1 0 253.346 0.919 10 0 CCAERO C[NH+](C)CC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000111620305 389109994 /nfs/dbraw/zinc/10/99/94/389109994.db2.gz DFYJZDODVSAVMW-VIFPVBQESA-N 1 0 255.343 0.605 10 0 CCAERO CCOC(=O)c1ccc(N2CCCO[C@H](C[NH3+])C2)nc1 ZINC000313361002 389113430 /nfs/dbraw/zinc/11/34/30/389113430.db2.gz RYPFARKOQFWDSM-GFCCVEGCSA-N 1 0 279.340 0.812 10 0 CCAERO CCCCOC[C@H](O)C[N@H+](C)C[C@@H](C)C(=O)NC ZINC000195181038 389118571 /nfs/dbraw/zinc/11/85/71/389118571.db2.gz XVZVKNWDXXNGDC-VXGBXAGGSA-N 1 0 260.378 0.478 10 0 CCAERO O[C@H](C[NH2+][C@H]1CCC[C@@H]1O)COCc1ccco1 ZINC000323193728 389124272 /nfs/dbraw/zinc/12/42/72/389124272.db2.gz SDFOHEKQBSTKOK-WXHSDQCUSA-N 1 0 255.314 0.660 10 0 CCAERO Cc1cnn(CCC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000195336777 389124462 /nfs/dbraw/zinc/12/44/62/389124462.db2.gz ADWJXPMNIXWKQG-CYBMUJFWSA-N 1 0 262.357 0.888 10 0 CCAERO CC[C@@H](C(N)=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000328209139 389127501 /nfs/dbraw/zinc/12/75/01/389127501.db2.gz UWIIZCGXOXCCAX-RDBSUJKOSA-N 1 0 261.369 0.925 10 0 CCAERO Cc1cc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)n(C)n1 ZINC000116785167 389134612 /nfs/dbraw/zinc/13/46/12/389134612.db2.gz OMNPASZHCLKRKU-LLVKDONJSA-N 1 0 266.345 0.131 10 0 CCAERO C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)CCO1 ZINC000248357664 389245239 /nfs/dbraw/zinc/24/52/39/389245239.db2.gz PSZZRQZWYYOXOB-NDBYEHHHSA-N 1 0 252.358 0.822 10 0 CCAERO C[C@@H]1C[N@H+](Cc2ccnc(N)c2)C[C@H]1N1CCOCC1 ZINC000248728022 389249194 /nfs/dbraw/zinc/24/91/94/389249194.db2.gz JNXIQDQCQILFFY-TZMCWYRMSA-N 1 0 276.384 0.816 10 0 CCAERO CC[C@H]1CN(C(=O)C(C)(C)N2CC[NH2+]CC2)CCO1 ZINC000131223686 389210025 /nfs/dbraw/zinc/21/00/25/389210025.db2.gz OBNJXTZIVWKCRM-LBPRGKRZSA-N 1 0 269.389 0.308 10 0 CCAERO CCOCC[N@@H+]1CCN([C@H]2CCNC2=O)C[C@H]1CC ZINC000245675782 389216023 /nfs/dbraw/zinc/21/60/23/389216023.db2.gz HELIUNRAAKXNPI-OLZOCXBDSA-N 1 0 269.389 0.308 10 0 CCAERO C[C@@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)[C@H]1CCCO1 ZINC000245833279 389218624 /nfs/dbraw/zinc/21/86/24/389218624.db2.gz AMTOSVDIIUFXRW-IGQOVBAYSA-N 1 0 299.415 0.650 10 0 CCAERO C[C@@H]1C[N@H+](C[C@@H](O)CN2CCOCC2)CCS1 ZINC000245801339 389218690 /nfs/dbraw/zinc/21/86/90/389218690.db2.gz AOWKTNVEOQKMAZ-NEPJUHHUSA-N 1 0 260.403 0.117 10 0 CCAERO C[C@@H]1CN2CCCC[C@H]2C[N@@H+]1C[C@@H]1COCCO1 ZINC000252693436 389265760 /nfs/dbraw/zinc/26/57/60/389265760.db2.gz LJYADTFWEUKXKP-HZSPNIEDSA-N 1 0 254.374 0.960 10 0 CCAERO COc1c(C[NH2+][C@H]2C[C@H](O)C2(C)C)c(C)nn1C ZINC000132216777 389222269 /nfs/dbraw/zinc/22/22/69/389222269.db2.gz UREOTAXYWRELQJ-QWRGUYRKSA-N 1 0 253.346 0.986 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(C(N)=O)cn1C ZINC000246136035 389224045 /nfs/dbraw/zinc/22/40/45/389224045.db2.gz DOGOKBMDTHUNTB-JQWIXIFHSA-N 1 0 290.367 0.433 10 0 CCAERO CN1CCO[C@@H](CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000246358376 389227377 /nfs/dbraw/zinc/22/73/77/389227377.db2.gz DXQGEAFLNRHSHU-OCCSQVGLSA-N 1 0 296.415 0.101 10 0 CCAERO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246584849 389230179 /nfs/dbraw/zinc/23/01/79/389230179.db2.gz WKXNAVWDGGKKNF-KFWWJZLASA-N 1 0 297.443 0.894 10 0 CCAERO CC(=O)N1CCC[C@H](C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)C1 ZINC000246786005 389232147 /nfs/dbraw/zinc/23/21/47/389232147.db2.gz BHUSOVUZWNXADM-SNPRPXQTSA-N 1 0 293.411 0.940 10 0 CCAERO CC(=O)N1CCC[C@H](C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)C1 ZINC000246786030 389232409 /nfs/dbraw/zinc/23/24/09/389232409.db2.gz BHUSOVUZWNXADM-VHDGCEQUSA-N 1 0 293.411 0.940 10 0 CCAERO CC(C)[C@@H](C)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000133174747 389232837 /nfs/dbraw/zinc/23/28/37/389232837.db2.gz VAOUBVYWCTUYOG-LLVKDONJSA-N 1 0 295.387 0.544 10 0 CCAERO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000247165025 389237241 /nfs/dbraw/zinc/23/72/41/389237241.db2.gz MNUHSGIVZANIKM-XQQFMLRXSA-N 1 0 271.405 0.600 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000247385048 389239015 /nfs/dbraw/zinc/23/90/15/389239015.db2.gz PJRGMRYPASERMJ-UPJWGTAASA-N 1 0 294.399 0.485 10 0 CCAERO CCC[C@H](C(=O)NC[C@H]1CN(C2CC2)CCO1)[NH+](C)C ZINC000155966571 389323056 /nfs/dbraw/zinc/32/30/56/389323056.db2.gz PWMJJYBUVIYCIO-UONOGXRCSA-N 1 0 283.416 0.696 10 0 CCAERO Cc1cnc(CC[N@@H+](C)C[C@@H](O)CN2CCCC2=O)s1 ZINC000157789958 389333831 /nfs/dbraw/zinc/33/38/31/389333831.db2.gz SURXEBQMOPVDQM-GFCCVEGCSA-N 1 0 297.424 0.909 10 0 CCAERO CCC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1CNC(N)=O ZINC000262505081 389287959 /nfs/dbraw/zinc/28/79/59/389287959.db2.gz BETDAYQCNCJQHK-VHSXEESVSA-N 1 0 256.350 0.163 10 0 CCAERO COC(=O)CNC(=O)CC[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000152859312 389293964 /nfs/dbraw/zinc/29/39/64/389293964.db2.gz AOSRMFXJBQGEDA-NEPJUHHUSA-N 1 0 284.356 0.167 10 0 CCAERO CC(=O)NC[C@H]1CCC[N@@H+]([C@@H]2CCCCNC2=O)C1 ZINC000153218723 389296548 /nfs/dbraw/zinc/29/65/48/389296548.db2.gz JXZAAGHSJFYFQG-CHWSQXEVSA-N 1 0 267.373 0.503 10 0 CCAERO C[C@H](NC(=O)[C@@H]1OC[C@H]2COCC[C@@H]21)C1=CC[N@H+](C)CC1 ZINC000332839951 389378958 /nfs/dbraw/zinc/37/89/58/389378958.db2.gz BVPOCFVGXVQMCA-PMOUVXMZSA-N 1 0 294.395 0.805 10 0 CCAERO C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC(=O)NC1(C)C ZINC000334239325 389461734 /nfs/dbraw/zinc/46/17/34/389461734.db2.gz NMIXFWQGRCXQRZ-UWVGGRQHSA-N 1 0 253.346 0.254 10 0 CCAERO Cc1cnc(C)c(N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)n1 ZINC000273856286 389477056 /nfs/dbraw/zinc/47/70/56/389477056.db2.gz LHMYQPFQUAZXOP-RYUDHWBXSA-N 1 0 264.373 0.985 10 0 CCAERO Cc1nnsc1CNC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000333540282 389420839 /nfs/dbraw/zinc/42/08/39/389420839.db2.gz JESQQKKPOBFNHY-CBAPKCEASA-N 1 0 269.374 0.738 10 0 CCAERO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCNC(=O)CC1 ZINC000172620605 389491475 /nfs/dbraw/zinc/49/14/75/389491475.db2.gz DDZPNRUTUKVRJL-GFCCVEGCSA-N 1 0 267.373 0.598 10 0 CCAERO C[NH2+]CC(=O)N1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000162935912 389423770 /nfs/dbraw/zinc/42/37/70/389423770.db2.gz BQFZXWBDDZLQKG-MNOVXSKESA-N 1 0 284.381 0.618 10 0 CCAERO COC1(CNC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CCC(C)CC1 ZINC000333567810 389427389 /nfs/dbraw/zinc/42/73/89/389427389.db2.gz MCRGEYVWUYIEMY-FMPXUHTOSA-N 1 0 299.415 0.556 10 0 CCAERO CC(C)c1noc(N2CCN([C@H]3CC[NH2+]C3)CC2)n1 ZINC000333586753 389431298 /nfs/dbraw/zinc/43/12/98/389431298.db2.gz USRWJWBPDQBUEL-NSHDSACASA-N 1 0 265.361 0.677 10 0 CCAERO CCc1nn(C)cc1CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000164960123 389438168 /nfs/dbraw/zinc/43/81/68/389438168.db2.gz COWIHBMOFJSJKE-AWEZNQCLSA-N 1 0 264.373 0.988 10 0 CCAERO CN1CCO[C@@H]2CCN(C(=O)N[C@H]3CCCC[NH2+]C3)C[C@H]21 ZINC000333776962 389443169 /nfs/dbraw/zinc/44/31/69/389443169.db2.gz DBKROKSWXXLHSD-BFHYXJOUSA-N 1 0 296.415 0.243 10 0 CCAERO COCc1ccccc1CNC(=O)Cn1cc(C[NH3+])nn1 ZINC000167403099 389445164 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256.346 0.916 10 0 CCAERO C[C@@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)c1ccc(S(N)(=O)=O)cc1 ZINC000648148879 390311998 /nfs/dbraw/zinc/31/19/98/390311998.db2.gz CLUNCCSBVNSZPK-IEBDPFPHSA-N 1 0 297.380 0.249 10 0 CCAERO COC[C@@]1(C(=O)N[C@H](C)c2cnn(C)c2)CCC[NH2+]1 ZINC000643688570 390500778 /nfs/dbraw/zinc/50/07/78/390500778.db2.gz BIQZUAFLRQEWMP-ZWNOBZJWSA-N 1 0 266.345 0.366 10 0 CCAERO COCCC1(C(=O)N[C@@H](CCO)C(C)C)CC[NH2+]CC1 ZINC000643689724 390501186 /nfs/dbraw/zinc/50/11/86/390501186.db2.gz PILICXGTXWOIQT-ZDUSSCGKSA-N 1 0 286.416 0.916 10 0 CCAERO CCC[C@@H](O)CNC(=O)C1(CCOC)CC[NH2+]CC1 ZINC000643690648 390503056 /nfs/dbraw/zinc/50/30/56/390503056.db2.gz IUUWIIFWXVLKMN-GFCCVEGCSA-N 1 0 272.389 0.670 10 0 CCAERO CC1(C)CN(C(=O)[C@H]2C[NH2+]CCOC2)CCCO1 ZINC000643708903 390508794 /nfs/dbraw/zinc/50/87/94/390508794.db2.gz JUXSXINHHWYBNM-NSHDSACASA-N 1 0 256.346 0.250 10 0 CCAERO CC[C@H](O)CCCNC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643713205 390511802 /nfs/dbraw/zinc/51/18/02/390511802.db2.gz 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ZINC000262103765 143938325 /nfs/dbraw/zinc/93/83/25/143938325.db2.gz DYBBTMZSGNMDPV-CFVMTHIKSA-N 1 0 274.364 0.803 10 0 CCAERO O=C(c1cc(Cl)c[nH]1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000369329684 144263581 /nfs/dbraw/zinc/26/35/81/144263581.db2.gz IEJCBNFUIUEUHU-ZJUUUORDSA-N 1 0 255.705 0.481 10 0 CCAERO O[C@H](CN1CCOCC1)C[N@@H+]1C[C@H]2CCCCC[C@H]21 ZINC000371942681 144347770 /nfs/dbraw/zinc/34/77/70/144347770.db2.gz MJZYGBWRPONYET-RBSFLKMASA-N 1 0 268.401 0.944 10 0 CCAERO Cc1noc([C@H]2C[C@@H](O)CN2CC[NH+]2CCCCC2)n1 ZINC000372394474 144365475 /nfs/dbraw/zinc/36/54/75/144365475.db2.gz OCGSYGBRTZPOBY-CHWSQXEVSA-N 1 0 280.372 0.972 10 0 CCAERO CCCCOC[C@H](O)Cn1cc([C@@H](C)[NH2+]C)nn1 ZINC000386437242 397501433 /nfs/dbraw/zinc/50/14/33/397501433.db2.gz BCRMCOPSJFLLIM-GHMZBOCLSA-N 1 0 256.350 0.736 10 0 CCAERO CCC1CCC(NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000388281107 397505202 /nfs/dbraw/zinc/50/52/02/397505202.db2.gz QRNHHQGVJPPHIO-BPCQOVAHSA-N 1 0 290.429 0.863 10 0 CCAERO C[NH+](C)C[C@@H]1CN(C(=O)NC[C@]2(C)CCCO2)CCO1 ZINC000133315528 289198598 /nfs/dbraw/zinc/19/85/98/289198598.db2.gz INWXZPIBNZRQLI-OCCSQVGLSA-N 1 0 285.388 0.528 10 0 CCAERO CO[C@H]1C[C@@H](C(=O)N2CCC([C@H](C)O)CC2)[N@H+](C)C1 ZINC000408051777 286080976 /nfs/dbraw/zinc/08/09/76/286080976.db2.gz QWZJLWDFTFWDDE-DRZSPHRISA-N 1 0 270.373 0.325 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@@H]1CCS(=O)(=O)C1 ZINC000251912949 297100971 /nfs/dbraw/zinc/10/09/71/297100971.db2.gz XHTDOCNGFQUPPY-AGIUHOORSA-N 1 0 272.414 0.590 10 0 CCAERO CC[C@@H](O)C[NH+]1CCN([C@@H](C)CN2CCOCC2)CC1 ZINC000180479849 286943537 /nfs/dbraw/zinc/94/35/37/286943537.db2.gz PBVQZZLLNNMCPW-LSDHHAIUSA-N 1 0 285.432 0.096 10 0 CCAERO [NH3+]C[C@@H]1CN(Cc2ccc3c(c2)OCO3)CCO1 ZINC000011885893 170452091 /nfs/dbraw/zinc/45/20/91/170452091.db2.gz VLEPNLWBBDBCDI-LLVKDONJSA-N 1 0 250.298 0.575 10 0 CCAERO C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)[C@H]1CCCO1 ZINC000120854613 411706779 /nfs/dbraw/zinc/70/67/79/411706779.db2.gz FFLCIUAVGOIYCS-SDDRHHMPSA-N 1 0 255.362 0.947 10 0 CCAERO C[C@@H]1CCCC[C@H]1NC(=O)Cn1cc(C[NH3+])nn1 ZINC000050224711 411676049 /nfs/dbraw/zinc/67/60/49/411676049.db2.gz WHLVURHOWVUCTB-MWLCHTKSSA-N 1 0 251.334 0.432 10 0 CCAERO CNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC[NH2+]C2)cc1 ZINC000062113956 411687692 /nfs/dbraw/zinc/68/76/92/411687692.db2.gz QRPLQXSQEBOXHS-VIFPVBQESA-N 1 0 283.353 0.143 10 0 CCAERO [NH3+]CCc1ccccc1C(=O)N[C@@H]1CCCNC1=O ZINC000070542226 411692448 /nfs/dbraw/zinc/69/24/48/411692448.db2.gz FFTOSTCPTHJALM-GFCCVEGCSA-N 1 0 261.325 0.196 10 0 CCAERO O=C(NC[C@@H]1CC[NH2+]C1)c1ccc2nccnc2c1 ZINC000133671878 411729074 /nfs/dbraw/zinc/72/90/74/411729074.db2.gz VVAYSUBMFXLDKT-SNVBAGLBSA-N 1 0 256.309 0.969 10 0 CCAERO C[C@H](O)C1CCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000300239913 411742492 /nfs/dbraw/zinc/74/24/92/411742492.db2.gz OKXKTFDMHILOEY-DRZSPHRISA-N 1 0 254.374 0.981 10 0 CCAERO O=C(CC[C@@H]1CCC[NH2+]1)NCCCn1ccnn1 ZINC000310920266 411746762 /nfs/dbraw/zinc/74/67/62/411746762.db2.gz FUHMKWUPIGPQGD-NSHDSACASA-N 1 0 251.334 0.317 10 0 CCAERO C[C@@H]1CN(CC[N@@H+]2CC[C@H](CCO)C2)C[C@@H](C)O1 ZINC000314326672 411754787 /nfs/dbraw/zinc/75/47/87/411754787.db2.gz FNIFHDNVCQLCMM-MGPQQGTHSA-N 1 0 256.390 0.800 10 0 CCAERO C[C@@H](NC(=O)C(C)(C)N1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000131218563 411723495 /nfs/dbraw/zinc/72/34/95/411723495.db2.gz GUYHNBKJRSCTPB-NEPJUHHUSA-N 1 0 269.389 0.354 10 0 CCAERO CCO[C@@H]1CN(c2cc(C)nc(C)n2)C[C@H]1C[NH3+] ZINC000405291778 411798828 /nfs/dbraw/zinc/79/88/28/411798828.db2.gz HWTJJFZEJCIIBE-VXGBXAGGSA-N 1 0 250.346 0.893 10 0 CCAERO CCS(=O)(=O)N1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000020202513 171066686 /nfs/dbraw/zinc/06/66/86/171066686.db2.gz APLSVCURDCPOKT-NSHDSACASA-N 1 0 276.402 0.427 10 0 CCAERO [NH3+]C[C@H](c1cccs1)N1CCN(CCO)CC1 ZINC000020225306 171087323 /nfs/dbraw/zinc/08/73/23/171087323.db2.gz GDMKFTQEWXFTSE-LLVKDONJSA-N 1 0 255.387 0.358 10 0 CCAERO Cc1cccc(NS(=O)(=O)N2CC[NH2+]CC2)c1 ZINC000020247284 171100186 /nfs/dbraw/zinc/10/01/86/171100186.db2.gz FHIMKNJALZTESZ-UHFFFAOYSA-N 1 0 255.343 0.557 10 0 CCAERO C[C@@H]([NH3+])c1cccc(NS(=O)(=O)N2CCOCC2)c1 ZINC000020255529 171109093 /nfs/dbraw/zinc/10/90/93/171109093.db2.gz YERMNNSZCSBHSW-SNVBAGLBSA-N 1 0 285.369 0.695 10 0 CCAERO [NH3+][C@H](CN1CCOC1=O)c1ccc2c(c1)OCCO2 ZINC000020262234 171119985 /nfs/dbraw/zinc/11/99/85/171119985.db2.gz UMSXQEZISPTQHS-SNVBAGLBSA-N 1 0 264.281 0.910 10 0 CCAERO CNC(=O)NC(=O)[C@H](C)[NH2+]Cc1ccccc1OC ZINC000020302896 171140104 /nfs/dbraw/zinc/14/01/04/171140104.db2.gz SNFHGSIQPXLAHN-VIFPVBQESA-N 1 0 265.313 0.629 10 0 CCAERO COc1cccc([C@H](C[NH2+][C@@H](C)C(N)=O)N(C)C)c1 ZINC000020310018 171144111 /nfs/dbraw/zinc/14/41/11/171144111.db2.gz FMFBDMMFYRQUFF-GWCFXTLKSA-N 1 0 265.357 0.761 10 0 CCAERO COCCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1OC ZINC000020316207 171146974 /nfs/dbraw/zinc/14/69/74/171146974.db2.gz PNIUSTVNMFHPNY-LLVKDONJSA-N 1 0 266.341 0.936 10 0 CCAERO COCCNC(=O)[C@H](C)NCC(C)(C)C[NH+](C)C ZINC000020316543 171147459 /nfs/dbraw/zinc/14/74/59/171147459.db2.gz SLDTXOCXFOXODS-NSHDSACASA-N 1 0 259.394 0.315 10 0 CCAERO O=C(CC[NH2+][C@@H]1CN2CCC1CC2)N1CCCC1 ZINC000020441413 171205096 /nfs/dbraw/zinc/20/50/96/171205096.db2.gz MDPDDFRNWDMWIJ-CYBMUJFWSA-N 1 0 251.374 0.683 10 0 CCAERO CC(=O)N1CCN(CC(=O)Nc2ccccc2C[NH3+])CC1 ZINC000022214244 171374877 /nfs/dbraw/zinc/37/48/77/171374877.db2.gz KPOIPGJUZOGURY-UHFFFAOYSA-N 1 0 290.367 0.248 10 0 CCAERO CC(=O)NCCCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653070554 412208510 /nfs/dbraw/zinc/20/85/10/412208510.db2.gz ACNOJNCGBCBLTN-RKDXNWHRSA-N 1 0 281.278 0.027 10 0 CCAERO O=C([C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N1CCc2n[nH]nc2C1 ZINC000653151700 412243700 /nfs/dbraw/zinc/24/37/00/412243700.db2.gz PEKLBTOHTUZNET-RNFRBKRXSA-N 1 0 289.261 0.087 10 0 CCAERO CCCN(CCC[NH3+])S(=O)(=O)c1cccnc1 ZINC000034960196 171904997 /nfs/dbraw/zinc/90/49/97/171904997.db2.gz PCLAQWSRDUZHOO-UHFFFAOYSA-N 1 0 257.359 0.831 10 0 CCAERO CC[NH2+]C[C@H](O)COc1ccccc1NC(C)=O ZINC000034978675 171911541 /nfs/dbraw/zinc/91/15/41/171911541.db2.gz HMGFBTHDGHLKDM-NSHDSACASA-N 1 0 252.314 0.994 10 0 CCAERO CCNC(=O)C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000035139795 172008005 /nfs/dbraw/zinc/00/80/05/172008005.db2.gz WWOFAKJVPCWDHU-SNVBAGLBSA-N 1 0 284.381 0.877 10 0 CCAERO CC(C)NC(=O)C[NH2+][C@@H](C)C(=O)N1CCCCCC1 ZINC000035148332 172010113 /nfs/dbraw/zinc/01/01/13/172010113.db2.gz OXNXWWYPBOLDEX-LBPRGKRZSA-N 1 0 269.389 0.892 10 0 CCAERO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+]CC(=O)NC(C)C ZINC000035207170 172051984 /nfs/dbraw/zinc/05/19/84/172051984.db2.gz ZFILHPVFGKERFS-WDEREUQCSA-N 1 0 257.378 0.794 10 0 CCAERO c1nc2ncnc(NCCCN3CC[NH2+]CC3)c2[nH]1 ZINC000035307873 172121166 /nfs/dbraw/zinc/12/11/66/172121166.db2.gz UNRIJFOKHZRGQD-UHFFFAOYSA-N 1 0 261.333 0.060 10 0 CCAERO NS(=O)(=O)c1ccc(NC2CC[NH2+]CC2)cc1 ZINC000035348737 172142844 /nfs/dbraw/zinc/14/28/44/172142844.db2.gz FMGHTKHVEVUEAQ-UHFFFAOYSA-N 1 0 255.343 0.498 10 0 CCAERO CCN(CC)S(=O)(=O)N[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000035691659 172359790 /nfs/dbraw/zinc/35/97/90/172359790.db2.gz GCTAIIXWPCEKDV-GHMZBOCLSA-N 1 0 263.407 0.693 10 0 CCAERO COCCCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000035735651 172388774 /nfs/dbraw/zinc/38/87/74/172388774.db2.gz GRDKZEVPEYAVQV-SRVKXCTJSA-N 1 0 258.362 0.685 10 0 CCAERO c1ccc2c(c1)cnnc2NCCN1CC[NH2+]CC1 ZINC000036278987 172570096 /nfs/dbraw/zinc/57/00/96/172570096.db2.gz ULQKYCCHNJGHMD-UHFFFAOYSA-N 1 0 257.341 0.947 10 0 CCAERO OCCn1ncc2c1CCC[C@H]2[NH2+]C[C@H]1CCOC1 ZINC000037169325 173003468 /nfs/dbraw/zinc/00/34/68/173003468.db2.gz BMBQJDKBUGUWHN-DGCLKSJQSA-N 1 0 265.357 0.879 10 0 CCAERO C[N@@H+]1CC[C@@H]2OCCN(C(=O)Cc3ccc(O)cc3)[C@H]2C1 ZINC000285702312 196371987 /nfs/dbraw/zinc/37/19/87/196371987.db2.gz IVDYTTADQMTGFI-GJZGRUSLSA-N 1 0 290.363 0.866 10 0 CCAERO O=c1c2sccc2ncn1C[C@H](O)C[NH2+]C1CC1 ZINC000037382751 173168112 /nfs/dbraw/zinc/16/81/12/173168112.db2.gz BTWPRPCGXWDHQU-SECBINFHSA-N 1 0 265.338 0.571 10 0 CCAERO NC(=O)CN(C(=O)C1CCCC1)C1CC[NH2+]CC1 ZINC000037542389 173263951 /nfs/dbraw/zinc/26/39/51/173263951.db2.gz JSTMVBLROKQQFT-UHFFFAOYSA-N 1 0 253.346 0.243 10 0 CCAERO C[NH2+]C1CCC(NS(=O)(=O)c2c[nH]nc2C)CC1 ZINC000037730530 173650662 /nfs/dbraw/zinc/65/06/62/173650662.db2.gz COJSNXHMVVAJKI-UHFFFAOYSA-N 1 0 272.374 0.527 10 0 CCAERO CC[C@@H](C)NC(=O)CCNC(=O)C[NH2+][C@H](C)CC ZINC000038015005 173987035 /nfs/dbraw/zinc/98/70/35/173987035.db2.gz XHAOBNIMWHXFFF-GHMZBOCLSA-N 1 0 257.378 0.796 10 0 CCAERO C[C@@H](CNS(=O)(=O)c1ccc(=O)[nH]c1)[NH+]1CCCCC1 ZINC000038029593 174020528 /nfs/dbraw/zinc/02/05/28/174020528.db2.gz XIAJUZMOEAQUOV-NSHDSACASA-N 1 0 299.396 0.528 10 0 CCAERO C[C@@H](CNC(=O)C1=NNC(=O)CC1)C[NH+]1CCCCC1 ZINC000038042368 174045316 /nfs/dbraw/zinc/04/53/16/174045316.db2.gz LPWZSTBDHLMRNX-NSHDSACASA-N 1 0 280.372 0.491 10 0 CCAERO CCC[C@H](C)NC(=O)[C@H](C)[NH2+]CCCS(C)(=O)=O ZINC000038048140 174058779 /nfs/dbraw/zinc/05/87/79/174058779.db2.gz JREGPVHQRNNDOF-QWRGUYRKSA-N 1 0 278.418 0.704 10 0 CCAERO CC(C)CNC(=O)[C@@H](C)[NH2+]CCCS(C)(=O)=O ZINC000038048093 174058761 /nfs/dbraw/zinc/05/87/61/174058761.db2.gz ADEFDNQOMGKRCS-SNVBAGLBSA-N 1 0 264.391 0.171 10 0 CCAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1ccccc1 ZINC000038049229 174059960 /nfs/dbraw/zinc/05/99/60/174059960.db2.gz RQHJWUOGRTXUAD-STQMWFEESA-N 1 0 275.352 0.803 10 0 CCAERO CCCN([C@@H]1CCS(=O)(=O)C1)C1CC[NH2+]CC1 ZINC000038085471 174096336 /nfs/dbraw/zinc/09/63/36/174096336.db2.gz GCTMOANQUQFWPX-GFCCVEGCSA-N 1 0 260.403 0.638 10 0 CCAERO CC(C)OCCOC[C@H](O)C[NH2+]C[C@H]1CCOC1 ZINC000038094469 174108121 /nfs/dbraw/zinc/10/81/21/174108121.db2.gz SFTSDQGNEURKBL-CHWSQXEVSA-N 1 0 261.362 0.415 10 0 CCAERO CCCN(CC(=O)N(C)C)C(=O)C[NH2+]C1CCCC1 ZINC000038101124 174116247 /nfs/dbraw/zinc/11/62/47/174116247.db2.gz XCFLMMRZGVSIFP-UHFFFAOYSA-N 1 0 269.389 0.845 10 0 CCAERO COC(=O)C[C@H]1CCCCN1C(=O)C1CC[NH2+]CC1 ZINC000038101867 174117789 /nfs/dbraw/zinc/11/77/89/174117789.db2.gz HDXJNNZWBRFOFT-GFCCVEGCSA-N 1 0 268.357 0.930 10 0 CCAERO OC[C@@H](c1ccc2c(c1)OCO2)N1CCC[NH2+]CC1 ZINC000038117480 174127483 /nfs/dbraw/zinc/12/74/83/174127483.db2.gz NILPSSSMXFPQGW-LBPRGKRZSA-N 1 0 264.325 0.744 10 0 CCAERO CC(C)(C)OC(=O)NCC1CN([C@@H]2CC[NH2+]C2)C1 ZINC000039952036 174177070 /nfs/dbraw/zinc/17/70/70/174177070.db2.gz ZPQUPOUMBRSEAH-LLVKDONJSA-N 1 0 255.362 0.805 10 0 CCAERO CN1CCN(Nc2[nH+]cnc(NC(C)(C)C)c2N)CC1 ZINC000040680529 174374957 /nfs/dbraw/zinc/37/49/57/174374957.db2.gz LPBSDFRRDLUZTB-UHFFFAOYSA-N 1 0 279.392 0.844 10 0 CCAERO [NH3+]C1(C(=O)NC[C@@H]2CCC[C@H]2O)CC2(CCC2)C1 ZINC000662549544 414727502 /nfs/dbraw/zinc/72/75/02/414727502.db2.gz UDXFFCGSUPJEGP-WDEREUQCSA-N 1 0 252.358 0.925 10 0 CCAERO CN(Cc1cn(C)nn1)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000662687812 414741332 /nfs/dbraw/zinc/74/13/32/414741332.db2.gz FOQHSEIINXXIFJ-SNVBAGLBSA-N 1 0 251.334 0.306 10 0 CCAERO CCC1(NC(=O)[C@@H]2C[NH2+]CCOC2)CCOCC1 ZINC000662861859 414852045 /nfs/dbraw/zinc/85/20/45/414852045.db2.gz WJZRWZUSVXKWSH-LLVKDONJSA-N 1 0 256.346 0.298 10 0 CCAERO Cc1cn(C)nc1NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000662970579 414924347 /nfs/dbraw/zinc/92/43/47/414924347.db2.gz MAKLLVQCQPUGJZ-UHFFFAOYSA-N 1 0 265.361 0.351 10 0 CCAERO CN(C(=O)CNC(=O)C(C)(C)C)[C@H](C[NH3+])C(F)(F)F ZINC000662980038 414931554 /nfs/dbraw/zinc/93/15/54/414931554.db2.gz YJYABFAPXVDEQY-SSDOTTSWSA-N 1 0 283.294 0.497 10 0 CCAERO CN(C(=O)COCC(F)(F)F)[C@@H](C[NH3+])C(F)(F)F ZINC000662978952 414931653 /nfs/dbraw/zinc/93/16/53/414931653.db2.gz JZKNWQYSLXZEBU-YFKPBYRVSA-N 1 0 282.184 0.913 10 0 CCAERO CCC(CC)(C[NH3+])C(=O)NC[C@@H]1CC(=O)N(C)C1 ZINC000662886333 414869142 /nfs/dbraw/zinc/86/91/42/414869142.db2.gz DQXYCFZHEALLFY-JTQLQIEISA-N 1 0 255.362 0.346 10 0 CCAERO CN1C[C@H](CNC(=O)C2([NH3+])CCCCC2)CC1=O ZINC000662886775 414869591 /nfs/dbraw/zinc/86/95/91/414869591.db2.gz NJSKXFHZRLKIDR-JTQLQIEISA-N 1 0 253.346 0.243 10 0 CCAERO CN(C[C@H]1CCCO1)C1(C[NH3+])CCS(=O)(=O)CC1 ZINC000042332512 174687950 /nfs/dbraw/zinc/68/79/50/174687950.db2.gz ZUKFZDAINGMLNT-LLVKDONJSA-N 1 0 276.402 0.003 10 0 CCAERO COCCCN(CCOC)[C@H](C[NH3+])C(F)(F)F ZINC000042408319 174713980 /nfs/dbraw/zinc/71/39/80/174713980.db2.gz GUCADKZDRBFVMD-SECBINFHSA-N 1 0 258.284 0.861 10 0 CCAERO CN(CCC[NH3+])S(=O)(=O)Nc1ccccc1F ZINC000042524889 174774944 /nfs/dbraw/zinc/77/49/44/174774944.db2.gz ABCNVTXTVIFTQU-UHFFFAOYSA-N 1 0 261.322 0.763 10 0 CCAERO CCC(CC)N(CCO)S(=O)(=O)C1CC[NH2+]CC1 ZINC000042526704 174776687 /nfs/dbraw/zinc/77/66/87/174776687.db2.gz JMKIGCZYOIMOKM-UHFFFAOYSA-N 1 0 278.418 0.551 10 0 CCAERO O=S(=O)([C@H]1CCC[NH2+]C1)N(CCO)C1CCCCC1 ZINC000042526724 174776785 /nfs/dbraw/zinc/77/67/85/174776785.db2.gz DKXZOUPHNALNGX-ZDUSSCGKSA-N 1 0 290.429 0.695 10 0 CCAERO CC(C)OCCOC[C@@H](O)C[NH2+][C@H]1CCN(C)C1 ZINC000042546524 174787741 /nfs/dbraw/zinc/78/77/41/174787741.db2.gz ZALFNVOQKFNELJ-STQMWFEESA-N 1 0 260.378 0.083 10 0 CCAERO COCCC1(C(=O)NCCOCCF)CC[NH2+]CC1 ZINC000663003256 414944873 /nfs/dbraw/zinc/94/48/73/414944873.db2.gz KYHDMWDDMXQRLJ-UHFFFAOYSA-N 1 0 276.352 0.495 10 0 CCAERO COC[C@@]1(C(=O)N2CCCc3n[nH]cc3C2)CCC[NH2+]1 ZINC000663019125 414952708 /nfs/dbraw/zinc/95/27/08/414952708.db2.gz HUKOUCMXNHKVTB-CQSZACIVSA-N 1 0 278.356 0.453 10 0 CCAERO CC[C@H](C)[NH2+]CC(=O)N(CCOC)[C@@H](C)COC ZINC000042610269 174824020 /nfs/dbraw/zinc/82/40/20/174824020.db2.gz BIBBFNWHXXWSSC-RYUDHWBXSA-N 1 0 260.378 0.884 10 0 CCAERO CCCc1nccnc1N(C)CC(=O)N1CC[NH2+]CC1 ZINC000663270441 415032730 /nfs/dbraw/zinc/03/27/30/415032730.db2.gz LQKCORDYKJNOOX-UHFFFAOYSA-N 1 0 277.372 0.297 10 0 CCAERO CO[C@@H](C)c1nsc(NCc2nc(C[NH3+])cc(=O)[nH]2)n1 ZINC000663276853 415034691 /nfs/dbraw/zinc/03/46/91/415034691.db2.gz DCHRUHLGTKNUDJ-LURJTMIESA-N 1 0 296.356 0.812 10 0 CCAERO CNC(=O)c1ccc(NCC[C@@H]([NH3+])C(C)C)nn1 ZINC000663276041 415034891 /nfs/dbraw/zinc/03/48/91/415034891.db2.gz JIKHBPMEPLLTEJ-SECBINFHSA-N 1 0 251.334 0.622 10 0 CCAERO CCNC(=O)CN(C)[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000042961718 174927286 /nfs/dbraw/zinc/92/72/86/174927286.db2.gz SBIVXCILXOOGSJ-CYBMUJFWSA-N 1 0 265.357 0.763 10 0 CCAERO CN(C(=O)C1(C[NH3+])CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000044763006 175247219 /nfs/dbraw/zinc/24/72/19/175247219.db2.gz JQDHIEDNNFJEBI-LLVKDONJSA-N 1 0 288.413 0.541 10 0 CCAERO CCC[NH+]1CCN(C(=O)[C@H](CC)C(N)=S)CC1 ZINC000044832733 175261810 /nfs/dbraw/zinc/26/18/10/175261810.db2.gz YVTQWISDQBNXNY-SNVBAGLBSA-N 1 0 257.403 0.853 10 0 CCAERO COc1ccc(C(=O)CN2CC[C@@H]([NH3+])C2)cc1OC ZINC000070459801 175941957 /nfs/dbraw/zinc/94/19/57/175941957.db2.gz LBSPOXRTYPGMAV-LLVKDONJSA-N 1 0 264.325 0.920 10 0 CCAERO CN(C[C@H]([NH2+]C1CC1)C(=O)[O-])C[C@@H]1CC[N@H+](C)C1 ZINC000071190795 176068298 /nfs/dbraw/zinc/06/82/98/176068298.db2.gz DNSMYROFLXJKRG-PWSUYJOCSA-N 1 0 255.362 0.075 10 0 CCAERO CN(C[C@H]([NH2+]C1CC1)C(=O)[O-])C[C@H]1CC[N@H+](C)C1 ZINC000071190794 176068929 /nfs/dbraw/zinc/06/89/29/176068929.db2.gz DNSMYROFLXJKRG-JQWIXIFHSA-N 1 0 255.362 0.075 10 0 CCAERO COCCN(CCC[NH3+])S(=O)(=O)c1c(C)n[nH]c1C ZINC000071223219 176088611 /nfs/dbraw/zinc/08/86/11/176088611.db2.gz IDEVCBVJHFLRCB-UHFFFAOYSA-N 1 0 290.389 0.012 10 0 CCAERO CCC[NH2+]C1CCN(S(=O)(=O)CCCOC)CC1 ZINC000071233201 176092836 /nfs/dbraw/zinc/09/28/36/176092836.db2.gz OQGGYVPDWWESFG-UHFFFAOYSA-N 1 0 278.418 0.817 10 0 CCAERO NS(=O)(=O)CCC[NH2+]Cc1cnn2ccccc12 ZINC000071373397 176139171 /nfs/dbraw/zinc/13/91/71/176139171.db2.gz MKRLOXRNCVPKHW-UHFFFAOYSA-N 1 0 268.342 0.103 10 0 CCAERO CCn1c(C[NH3+])nnc1S[C@H](C)C(=O)N1CCCC1 ZINC000071374704 176139736 /nfs/dbraw/zinc/13/97/36/176139736.db2.gz ULGNBLZDGNODPP-SECBINFHSA-N 1 0 283.401 0.860 10 0 CCAERO CCOC(=O)Cc1csc(N2CC[NH2+]CC2)n1 ZINC000071490102 176190118 /nfs/dbraw/zinc/19/01/18/176190118.db2.gz JVPQBHOCNLHJDO-UHFFFAOYSA-N 1 0 255.343 0.658 10 0 CCAERO CN(c1ccc(CC[NH3+])cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000071643019 176239556 /nfs/dbraw/zinc/23/95/56/176239556.db2.gz WTZZYCXNCHLAIJ-LLVKDONJSA-N 1 0 286.372 0.950 10 0 CCAERO CCC[C@@H](CCC[NH3+])C(=O)N1CCN(C=O)CC1 ZINC000076660702 177048663 /nfs/dbraw/zinc/04/86/63/177048663.db2.gz MWLNMXNXRVLYQV-LBPRGKRZSA-N 1 0 255.362 0.442 10 0 CCAERO C[C@H](C[NH3+])CCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000076675251 177055769 /nfs/dbraw/zinc/05/57/69/177055769.db2.gz FRUMQQGTIFNZCO-VHSXEESVSA-N 1 0 262.375 0.007 10 0 CCAERO CCOC(=O)N1CCN(C(=O)C[C@@H](CC)C[NH3+])CC1 ZINC000076711840 177068376 /nfs/dbraw/zinc/06/83/76/177068376.db2.gz SICUYQOXIZNVLM-LLVKDONJSA-N 1 0 271.361 0.662 10 0 CCAERO COC(=O)c1cc(CSC(N)=[NH2+])cc(C(=O)OC)n1 ZINC000077303017 177250732 /nfs/dbraw/zinc/25/07/32/177250732.db2.gz NMLJQNAFYROFQF-UHFFFAOYSA-N 1 0 283.309 0.781 10 0 in-vitro CCAERO C[NH2+][C@@H](C)c1cccnc1-n1cc(S(C)(=O)=O)cn1 ZINC000725242042 545873916 /nfs/dbraw/zinc/87/39/16/545873916.db2.gz BIQTWPCULRIKID-VIFPVBQESA-N 1 0 280.353 0.951 10 0 CCAERO C[NH2+][C@@H]1CCCC[C@@H]1n1cc(S(C)(=O)=O)cn1 ZINC000725251623 545876703 /nfs/dbraw/zinc/87/67/03/545876703.db2.gz CQODTAOLIREHAH-MNOVXSKESA-N 1 0 257.359 0.990 10 0 CCAERO CS(=O)(=O)c1cnn([C@@H](CC[NH3+])C(F)(F)F)c1 ZINC000725252180 545876847 /nfs/dbraw/zinc/87/68/47/545876847.db2.gz KDEQPDUQFNIHQA-ZETCQYMHSA-N 1 0 271.264 0.739 10 0 CCAERO CCN(c1cc(C[NH3+])ccc1OC)S(C)(=O)=O ZINC000725255695 545880415 /nfs/dbraw/zinc/88/04/15/545880415.db2.gz JANWQJAMJUQNDG-UHFFFAOYSA-N 1 0 258.343 0.940 10 0 CCAERO CCN(c1ccc(C[NH3+])cc1OC)S(C)(=O)=O ZINC000725255609 545880495 /nfs/dbraw/zinc/88/04/95/545880495.db2.gz GAWYMPLRYCKRCT-UHFFFAOYSA-N 1 0 258.343 0.940 10 0 CCAERO C[C@@H]1CC[C@@H]([NH3+])[C@H](n2cc(S(C)(=O)=O)cn2)C1 ZINC000725253831 545879066 /nfs/dbraw/zinc/87/90/66/545879066.db2.gz ZVCXIVOVQFOLQL-FBIMIBRVSA-N 1 0 257.359 0.975 10 0 CCAERO C[NH+](C)[C@H]1CCN(C(=O)CCCCN2CCOCC2)C1 ZINC000171777928 335079488 /nfs/dbraw/zinc/07/94/88/335079488.db2.gz CGXYTVJHBIIJRC-AWEZNQCLSA-N 1 0 283.416 0.651 10 0 CCAERO C[NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000054076419 544441928 /nfs/dbraw/zinc/44/19/28/544441928.db2.gz VCSAMYIHZBZEBD-UWVGGRQHSA-N 1 0 284.381 0.875 10 0 CCAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CCN(C[C@H]2CCCO2)CC1 ZINC000054307690 544443485 /nfs/dbraw/zinc/44/34/85/544443485.db2.gz UAVAWCXYCGNEGS-LSDHHAIUSA-N 1 0 295.427 0.699 10 0 CCAERO NC(=O)[C@H]1CCCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000089448536 544513116 /nfs/dbraw/zinc/51/31/16/544513116.db2.gz JHCSRTGXEBQQJD-DCAQKATOSA-N 1 0 253.346 0.085 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000089456154 544513231 /nfs/dbraw/zinc/51/32/31/544513231.db2.gz INWKMJGNGNCWOI-CYZMBNFOSA-N 1 0 279.384 0.631 10 0 CCAERO NC(=O)CC1CCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089457545 544515071 /nfs/dbraw/zinc/51/50/71/544515071.db2.gz QJIYHNALYLCLOT-RYUDHWBXSA-N 1 0 267.373 0.475 10 0 CCAERO [NH3+]CCn1cc(C(=O)NC2C3CC4CC(C3)CC2C4)nn1 ZINC000089699108 544515761 /nfs/dbraw/zinc/51/57/61/544515761.db2.gz HMHDYNWDSAVXQX-UHFFFAOYSA-N 1 0 289.383 0.791 10 0 CCAERO CNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1 ZINC000091542065 544527911 /nfs/dbraw/zinc/52/79/11/544527911.db2.gz YNWKOWORLSJZKN-UWVGGRQHSA-N 1 0 297.380 0.661 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000126137308 544594779 /nfs/dbraw/zinc/59/47/79/544594779.db2.gz ZSJPXLJPIBFJHQ-NXEZZACHSA-N 1 0 262.375 0.005 10 0 CCAERO C[C@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1[NH+](C)C ZINC000134422904 544628855 /nfs/dbraw/zinc/62/88/55/544628855.db2.gz YKRJJZGTIMLDLC-WCBMZHEXSA-N 1 0 251.334 0.024 10 0 CCAERO CCOc1cc(NC[C@H]2C[NH2+]CCO2)nc(C)n1 ZINC000134266270 544629767 /nfs/dbraw/zinc/62/97/67/544629767.db2.gz QPEQYHVSAYXMMY-SNVBAGLBSA-N 1 0 252.318 0.584 10 0 CCAERO CNC(=O)[C@@H]1CCCN1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000154971251 544673740 /nfs/dbraw/zinc/67/37/40/544673740.db2.gz DQLHPZJZFFGSDJ-ZDUSSCGKSA-N 1 0 296.415 0.779 10 0 CCAERO CCN(CC(=O)N(C)C)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000136165189 544637217 /nfs/dbraw/zinc/63/72/17/544637217.db2.gz XZOPVMOEDDKYOB-CYBMUJFWSA-N 1 0 255.362 0.455 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000136467387 544638767 /nfs/dbraw/zinc/63/87/67/544638767.db2.gz AXFKCDCSAOTNOL-UWVGGRQHSA-N 1 0 262.375 0.053 10 0 CCAERO CC(=O)N[C@H]1CCCN(C(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000136395174 544639185 /nfs/dbraw/zinc/63/91/85/544639185.db2.gz YJXHGFMUSSZACW-NWDGAFQWSA-N 1 0 255.362 0.487 10 0 CCAERO CCCN(CC(=O)N(C)C)C(=O)C[C@@H]([NH3+])C(C)C ZINC000136412477 544639208 /nfs/dbraw/zinc/63/92/08/544639208.db2.gz IFPCQMKERCJSBO-LLVKDONJSA-N 1 0 257.378 0.687 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)N(C)CC(=O)N1CCCC1 ZINC000136398649 544639226 /nfs/dbraw/zinc/63/92/26/544639226.db2.gz IYHJLENQEAOPLN-LLVKDONJSA-N 1 0 255.362 0.441 10 0 CCAERO CCCN(CC(=O)N(C)C)C(=O)C[C@H]([NH3+])C(C)C ZINC000136412432 544639462 /nfs/dbraw/zinc/63/94/62/544639462.db2.gz IFPCQMKERCJSBO-NSHDSACASA-N 1 0 257.378 0.687 10 0 CCAERO CCN(C[C@H]1CCOC1)C(=O)C1(C[NH3+])CCOCC1 ZINC000138167671 544642129 /nfs/dbraw/zinc/64/21/29/544642129.db2.gz DGYDJQZWADZARG-GFCCVEGCSA-N 1 0 270.373 0.627 10 0 CCAERO CC(C)(C)OC(=O)N1C[C@@H]([NH3+])[C@H](n2ccnn2)C1 ZINC000141927374 544644425 /nfs/dbraw/zinc/64/44/25/544644425.db2.gz ULZNGNSUUVUKGF-RKDXNWHRSA-N 1 0 253.306 0.397 10 0 CCAERO COC[C@@H]([NH3+])C(=O)Nc1cnc2c(c1)c(C)nn2C ZINC000167803031 544728913 /nfs/dbraw/zinc/72/89/13/544728913.db2.gz GIYFXLYGTATGAY-SNVBAGLBSA-N 1 0 263.301 0.189 10 0 CCAERO Cc1ccc(C(=O)N2CCC[C@H]([NH3+])C2)cc1S(N)(=O)=O ZINC000178328863 544745237 /nfs/dbraw/zinc/74/52/37/544745237.db2.gz RBJFKBDSESHYDJ-NSHDSACASA-N 1 0 297.380 0.206 10 0 CCAERO CNC(=O)[C@H]([NH2+]CCC(=O)Nc1cc(C)on1)C(C)C ZINC000183639273 544766965 /nfs/dbraw/zinc/76/69/65/544766965.db2.gz PCICPSFDNQZJKU-GFCCVEGCSA-N 1 0 282.344 0.672 10 0 CCAERO CNC(=O)[C@H]([NH2+]C[C@@H](O)COc1ccccc1)C(C)C ZINC000183661425 544769385 /nfs/dbraw/zinc/76/93/85/544769385.db2.gz LMQSMTDEHSZAMF-TZMCWYRMSA-N 1 0 280.368 0.787 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCC(=O)N1C ZINC000187354031 544782326 /nfs/dbraw/zinc/78/23/26/544782326.db2.gz PTMCYNVNKSUZBX-UTUOFQBUSA-N 1 0 265.357 0.302 10 0 CCAERO CC(C)(C(=O)NC[C@@H]1CC1(C)C)N1CC[NH2+]CC1 ZINC000226351534 544830023 /nfs/dbraw/zinc/83/00/23/544830023.db2.gz UTYZDUOIJMUXIR-NSHDSACASA-N 1 0 253.390 0.833 10 0 CCAERO Cc1c(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cnn1C ZINC000226697602 544831283 /nfs/dbraw/zinc/83/12/83/544831283.db2.gz JYYLVWMMPCITJR-ZYHUDNBSSA-N 1 0 250.346 0.720 10 0 CCAERO CCC[C@@H](C(=O)N[C@H]1CCN(C)C(=O)C1)[NH+](C)C ZINC000190123194 544793848 /nfs/dbraw/zinc/79/38/48/544793848.db2.gz VUXZQPYQWASPHT-QWRGUYRKSA-N 1 0 255.362 0.454 10 0 CCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@]2(O)CCSC2)C1 ZINC000245706703 544906231 /nfs/dbraw/zinc/90/62/31/544906231.db2.gz DNNJYLGDOCFURZ-NTZNESFSSA-N 1 0 272.414 0.699 10 0 CCAERO C[C@H](O)CN1CCN(C(=O)C2([NH3+])CCCC2)C[C@@H]1C ZINC000246197865 544908602 /nfs/dbraw/zinc/90/86/02/544908602.db2.gz DQXNUOYJMHZURL-RYUDHWBXSA-N 1 0 269.389 0.171 10 0 CCAERO CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250018462 544921195 /nfs/dbraw/zinc/92/11/95/544921195.db2.gz XHNYQENQMGOWLY-CLLJXQQHSA-N 1 0 251.374 0.396 10 0 CCAERO CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC[NH2+][C@H]2C)C1 ZINC000252608064 544929953 /nfs/dbraw/zinc/92/99/53/544929953.db2.gz RZSMTBCTTBLGHA-WCQGTBRESA-N 1 0 253.346 0.112 10 0 CCAERO CO[C@H](C)c1nc(C)c(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)s1 ZINC000262070045 544937958 /nfs/dbraw/zinc/93/79/58/544937958.db2.gz BOYCIWZWDQAQJJ-OPRDCNLKSA-N 1 0 299.396 0.469 10 0 CCAERO COc1cc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc(OC)c1C ZINC000262099892 544938981 /nfs/dbraw/zinc/93/89/81/544938981.db2.gz DOSOZRQXKGLDPA-NEPJUHHUSA-N 1 0 294.351 0.322 10 0 CCAERO Cc1c(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cnn1C(C)(C)C ZINC000262087683 544939887 /nfs/dbraw/zinc/93/98/87/544939887.db2.gz CTRQOPRXELWMIL-JQWIXIFHSA-N 1 0 280.372 0.257 10 0 CCAERO COC[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCCO1 ZINC000333748844 545042838 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XDENATBLIFJFFV-CYBMUJFWSA-N 1 0 253.390 0.393 10 0 CCAERO CC(C)N(CC(N)=O)C(=O)[C@@H]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000055129060 519639814 /nfs/dbraw/zinc/63/98/14/519639814.db2.gz CVNVBOBKHBXPRP-AXFHLTTASA-N 1 0 255.362 0.472 10 0 CCAERO CC(C)[NH+]1CCN(CC[C@@H]([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000062449950 519682457 /nfs/dbraw/zinc/68/24/57/519682457.db2.gz XKJYYYWNESQDJC-CYBMUJFWSA-N 1 0 269.389 0.608 10 0 CCAERO CC(C)[NH2+]CCCS(=O)(=O)N1CCO[C@H](C)C1 ZINC000049632136 519720972 /nfs/dbraw/zinc/72/09/72/519720972.db2.gz CMLRANUGPSLXNP-LLVKDONJSA-N 1 0 264.391 0.425 10 0 CCAERO CC(C)[NH2+][C@H](CCN(C)CC[NH+]1CCCC1)C(=O)[O-] ZINC000063053226 519737999 /nfs/dbraw/zinc/73/79/99/519737999.db2.gz HSOBXISUIXKKPH-CYBMUJFWSA-N 1 0 271.405 0.855 10 0 CCAERO CC(C)[C@H](CN(C)C)[NH2+]C1CCN(C(N)=O)CC1 ZINC000049198928 519814487 /nfs/dbraw/zinc/81/44/87/519814487.db2.gz VQIJKYPXBGQWAZ-LBPRGKRZSA-N 1 0 256.394 0.705 10 0 CCAERO CCCNC(=O)CCNC(=O)[C@H]1CCC[C@H](C)[C@@H]1[NH3+] ZINC000055141231 519872019 /nfs/dbraw/zinc/87/20/19/519872019.db2.gz ALWSSWHDKVVWAI-GVXVVHGQSA-N 1 0 269.389 0.782 10 0 CCAERO CCCNC(=O)[C@@H](C)NC[C@H](O)C[NH+](CC)CC ZINC000049203332 519888687 /nfs/dbraw/zinc/88/86/87/519888687.db2.gz UVBMOFLNOLXJPU-NEPJUHHUSA-N 1 0 259.394 0.193 10 0 CCAERO CC[NH2+]CCC(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000061294772 519915758 /nfs/dbraw/zinc/91/57/58/519915758.db2.gz RRSQQCHDLGDCTE-LLVKDONJSA-N 1 0 253.346 0.256 10 0 CCAERO CCN(CC(=O)NC)C(=O)C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000055129040 520327817 /nfs/dbraw/zinc/32/78/17/520327817.db2.gz OBLIYKUNBFARTK-WDEREUQCSA-N 1 0 255.362 0.489 10 0 CCAERO CCO[C@H](C[NH3+])CN1CCN(CC(F)(F)F)CC1 ZINC000062739939 520518482 /nfs/dbraw/zinc/51/84/82/520518482.db2.gz NTQSLCYNUNVMFA-SNVBAGLBSA-N 1 0 269.311 0.530 10 0 CCAERO CCC[C@@H](C)NC(=O)C[NH2+]CCCS(C)(=O)=O ZINC000049288084 520654760 /nfs/dbraw/zinc/65/47/60/520654760.db2.gz FYJITBYXNWRLNY-SNVBAGLBSA-N 1 0 264.391 0.316 10 0 CCAERO CCN1C(=O)C[C@H]([NH2+][C@H](C)CN2CCCC2)C1=O ZINC000049162712 521524159 /nfs/dbraw/zinc/52/41/59/521524159.db2.gz STAGEJUFBZDXGB-MNOVXSKESA-N 1 0 253.346 0.208 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(NC)nn2)C1 ZINC000050777703 521622798 /nfs/dbraw/zinc/62/27/98/521622798.db2.gz RTLGSCGBUZXKJR-SNVBAGLBSA-N 1 0 263.345 0.732 10 0 CCAERO CCS(=O)(=O)CC[C@@H](C[NH2+]C)[C@@H]1CCS(=O)(=O)C1 ZINC000052950067 521645221 /nfs/dbraw/zinc/64/52/21/521645221.db2.gz KLXYAFPYSIGGBE-WDEREUQCSA-N 1 0 297.442 0.082 10 0 CCAERO C[NH2+]CCS(=O)(=O)Nc1ccc(F)cc1OC ZINC000049630473 522015805 /nfs/dbraw/zinc/01/58/05/522015805.db2.gz NGFWUKUJJBGYAR-UHFFFAOYSA-N 1 0 262.306 0.795 10 0 CCAERO CN[C@H](CCN1CCC([NH+](C)C)CC1)C(=O)OC ZINC000062449374 522459438 /nfs/dbraw/zinc/45/94/38/522459438.db2.gz PXAQGPUSCZTYTF-GFCCVEGCSA-N 1 0 257.378 0.164 10 0 CCAERO COCC(=O)N1CCC([NH2+]Cc2ncc[nH]2)CC1 ZINC000049715413 522736199 /nfs/dbraw/zinc/73/61/99/522736199.db2.gz DVFHXVSXDGQWBJ-UHFFFAOYSA-N 1 0 252.318 0.137 10 0 CCAERO CO[C@@H]1C[NH2+][C@H](C(=O)Nc2cnn(C(C)C)c2)C1 ZINC000061683479 523742077 /nfs/dbraw/zinc/74/20/77/523742077.db2.gz QZQWYCRQHCOHQB-QWRGUYRKSA-N 1 0 252.318 0.779 10 0 CCAERO COCC[NH2+]Cc1ccc(O[C@H](C)C(N)=O)cc1 ZINC000062729053 523953594 /nfs/dbraw/zinc/95/35/94/523953594.db2.gz FJLVEEBCVFCBSD-SNVBAGLBSA-N 1 0 252.314 0.675 10 0 CCAERO COCC[NH2+]Cc1ccnc(N2CCOCC2)n1 ZINC000054792465 523956145 /nfs/dbraw/zinc/95/61/45/523956145.db2.gz KJAGSFMHFMLJCW-UHFFFAOYSA-N 1 0 252.318 0.049 10 0 CCAERO C[N@@H+]1CC[C@@H](CNCC(=O)NCC(F)(F)F)C1 ZINC000049309790 523961247 /nfs/dbraw/zinc/96/12/47/523961247.db2.gz OVAQIQLVTIHKDG-QMMMGPOBSA-N 1 0 253.268 0.206 10 0 CCAERO COC(=O)[C@H]1COCCN1CCC[NH+]1CCCC1 ZINC000160993751 523979276 /nfs/dbraw/zinc/97/92/76/523979276.db2.gz RVTLCYFXCNZRGV-GFCCVEGCSA-N 1 0 256.346 0.346 10 0 CCAERO CN(C)C(=O)CN(C)C(=O)CC1CCC([NH3+])CC1 ZINC000055126795 523983624 /nfs/dbraw/zinc/98/36/24/523983624.db2.gz PKEUJBIQAHSRPH-UHFFFAOYSA-N 1 0 255.362 0.441 10 0 CCAERO COCCOCCNC(=O)[C@H]1CCC[C@H](CC[NH3+])C1 ZINC000055162330 524007546 /nfs/dbraw/zinc/00/75/46/524007546.db2.gz AWZQAZTVMAAXCD-OLZOCXBDSA-N 1 0 272.389 0.921 10 0 CCAERO C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CC(=O)[O-] ZINC000050917547 524054372 /nfs/dbraw/zinc/05/43/72/524054372.db2.gz XVGLZHGPSNEOOR-UHFFFAOYSA-N 1 0 273.377 0.193 10 0 CCAERO COc1cccc([C@H](O)CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000246737505 524166474 /nfs/dbraw/zinc/16/64/74/524166474.db2.gz YTANLRDTRTXAFN-OUCADQQQSA-N 1 0 278.352 0.972 10 0 CCAERO C[C@H]1CC[C@@H](C(=O)N2CCC(CO)CC2)C[C@@H]1[NH3+] ZINC000055124914 524331584 /nfs/dbraw/zinc/33/15/84/524331584.db2.gz QWQNSUXZWREASE-UHTWSYAYSA-N 1 0 254.374 0.981 10 0 CCAERO Cc1ccc(NS(=O)(=O)[C@H]2CCC[NH2+]C2)nc1 ZINC000049631658 525295448 /nfs/dbraw/zinc/29/54/48/525295448.db2.gz QGTOXHCHAVNURN-JTQLQIEISA-N 1 0 255.343 0.884 10 0 CCAERO Cc1[nH]nc(C(=O)N2CCC[C@H]2C[NH+](C)C)c1N ZINC000061641739 525466764 /nfs/dbraw/zinc/46/67/64/525466764.db2.gz VVQPYFOTONCRFW-VIFPVBQESA-N 1 0 251.334 0.467 10 0 CCAERO C[C@H](NS(=O)(=O)C[C@H]1CCC[NH2+]1)c1ccncc1 ZINC000049643267 525501960 /nfs/dbraw/zinc/50/19/60/525501960.db2.gz MFGYFSRWFRCPEA-CMPLNLGQSA-N 1 0 269.370 0.814 10 0 CCAERO Cc1cccnc1NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000049631735 525544825 /nfs/dbraw/zinc/54/48/25/525544825.db2.gz FFJHISFIXKEEEA-SNVBAGLBSA-N 1 0 255.343 0.884 10 0 CCAERO C[C@@H](NS(=O)(=O)C[C@@H]1CCC[NH2+]1)c1ccccn1 ZINC000049643294 525570134 /nfs/dbraw/zinc/57/01/34/525570134.db2.gz GNSIPIWALTYTCG-MNOVXSKESA-N 1 0 269.370 0.814 10 0 CCAERO CS[C@@H](CO)[C@@H](C)NC(=O)c1ccc(C[NH3+])cc1 ZINC000186471071 525815229 /nfs/dbraw/zinc/81/52/29/525815229.db2.gz ODNFDOXXVBZENE-SKDRFNHKSA-N 1 0 268.382 0.988 10 0 CCAERO Cc1nc(N)sc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000055173785 526955385 /nfs/dbraw/zinc/95/53/85/526955385.db2.gz RCKFQYVKBYJPDK-VIFPVBQESA-N 1 0 266.370 0.954 10 0 CCAERO NC(=O)[C@H]1CCCN1C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055125851 527003663 /nfs/dbraw/zinc/00/36/63/527003663.db2.gz NXCFZVDAELBOIY-GARJFASQSA-N 1 0 253.346 0.370 10 0 CCAERO CC(C)(C[NH+]1CCCC1)NC(=O)[C@@H]1CNC(=O)C1 ZINC000308670480 527080301 /nfs/dbraw/zinc/08/03/01/527080301.db2.gz GWXVQAYQAKKFKH-JTQLQIEISA-N 1 0 253.346 0.113 10 0 CCAERO O=S(=O)(C[C@@H]1CCCC[NH2+]1)N1CCC(CO)CC1 ZINC000049630994 527182084 /nfs/dbraw/zinc/18/20/84/527182084.db2.gz NACKWPKXNLHSIS-LBPRGKRZSA-N 1 0 276.402 0.163 10 0 CCAERO O=S(=O)(C[C@H]1CCC[NH2+]1)NC(C1CC1)C1CC1 ZINC000049645842 527186161 /nfs/dbraw/zinc/18/61/61/527186161.db2.gz HNBARUMENKHRKL-LLVKDONJSA-N 1 0 258.387 0.846 10 0 CCAERO O=S(=O)(C[C@H]1CCC[NH2+]C1)NCc1ccco1 ZINC000049631932 527186796 /nfs/dbraw/zinc/18/67/96/527186796.db2.gz HFOLQRJFVDCPEN-JTQLQIEISA-N 1 0 258.343 0.699 10 0 CCAERO O=S1(=O)CC[C@H]([C@]2(C[NH2+]C3CC3)CCOC2)C1 ZINC000054665295 527313070 /nfs/dbraw/zinc/31/30/70/527313070.db2.gz DTKPQZNGPDSMFE-JQWIXIFHSA-N 1 0 259.371 0.580 10 0 CCAERO NS(=O)(=O)c1ccc(NC[C@@H]2CCC[NH2+]2)cc1 ZINC000053255206 527318197 /nfs/dbraw/zinc/31/81/97/527318197.db2.gz NOUUXOCNHHMPHA-JTQLQIEISA-N 1 0 255.343 0.498 10 0 CCAERO NS(=O)(=O)c1ccc(OC[C@@H]2CCC[NH2+]C2)nc1 ZINC000051883057 527318531 /nfs/dbraw/zinc/31/85/31/527318531.db2.gz KIYXGRNFOZJQKI-SECBINFHSA-N 1 0 271.342 0.107 10 0 CCAERO OCCN1CCC([NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667842945 545157563 /nfs/dbraw/zinc/15/75/63/545157563.db2.gz UKCGFZRTQUGDMZ-KGLIPLIRSA-N 1 0 254.374 0.600 10 0 CCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CC(C)(CO)C2)C1 ZINC000333631742 529098177 /nfs/dbraw/zinc/09/81/77/529098177.db2.gz QZOOMAINJSLWNH-NWDGAFQWSA-N 1 0 269.389 0.739 10 0 CCAERO CC(=O)c1csc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262340472 534943291 /nfs/dbraw/zinc/94/32/91/534943291.db2.gz SZTBOUDCOUIAGY-ZJUUUORDSA-N 1 0 268.338 0.261 10 0 CCAERO CC(C)N(C)c1ccc(CNC[C@H]2C[NH2+]C[C@H]2O)cn1 ZINC000263116521 535030773 /nfs/dbraw/zinc/03/07/73/535030773.db2.gz APLMUPJUDYCRTE-UONOGXRCSA-N 1 0 278.400 0.596 10 0 CCAERO CC(C)Oc1cccc(CC(=O)NC[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000262213982 535032323 /nfs/dbraw/zinc/03/23/23/535032323.db2.gz IYSLFJVNFXLLGD-UKRRQHHQSA-N 1 0 292.379 0.713 10 0 CCAERO CCCS(=O)(=O)NCC1([NH2+]C)CCOCC1 ZINC000675054055 545320394 /nfs/dbraw/zinc/32/03/94/545320394.db2.gz CJCVGBPBFOLYLU-UHFFFAOYSA-N 1 0 250.364 0.084 10 0 CCAERO CC(C)C[NH+]1CCN(C[C@@H]2CC[C@H](CO)O2)CC1 ZINC000675059932 545320882 /nfs/dbraw/zinc/32/08/82/545320882.db2.gz YKCRNENQJBSIQO-UONOGXRCSA-N 1 0 256.390 0.800 10 0 CCAERO CCCC(=O)N1C[C@@H]2[C@](C[NH3+])(C1)CCCS2(=O)=O ZINC000675072565 545320997 /nfs/dbraw/zinc/32/09/97/545320997.db2.gz FHDPTGPVVSIWMN-ZYHUDNBSSA-N 1 0 274.386 0.151 10 0 CCAERO CC1(C)CN(C(=O)c2ccc3nncn3c2)CC[C@@H]1[NH3+] ZINC000262011841 535349615 /nfs/dbraw/zinc/34/96/15/535349615.db2.gz OETPUQVKTOMFFE-NSHDSACASA-N 1 0 273.340 0.929 10 0 CCAERO CCOC(=O)N[C@H](C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)C(C)C ZINC000248667714 535399140 /nfs/dbraw/zinc/39/91/40/535399140.db2.gz XDWQGLYTOJNMBX-CYDGBPFRSA-N 1 0 297.399 0.953 10 0 CCAERO CC[C@@H](C(=O)N[C@H]1CCc2nccn2C1)[NH+](C)C ZINC000362801914 535428064 /nfs/dbraw/zinc/42/80/64/535428064.db2.gz JJPYVGDIQXRJFV-QWRGUYRKSA-N 1 0 250.346 0.654 10 0 CCAERO CN(C)S(=O)(=O)c1ccc(N2CCC[C@H]([NH3+])C2)cc1 ZINC000041030096 536112447 /nfs/dbraw/zinc/11/24/47/536112447.db2.gz PZPKCBPNOPWCQH-NSHDSACASA-N 1 0 283.397 0.864 10 0 CCAERO C[C@H]([NH2+]CC[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCO1 ZINC000680409537 545427772 /nfs/dbraw/zinc/42/77/72/545427772.db2.gz JRLYGYUVUSHYOB-QJPTWQEYSA-N 1 0 261.387 0.968 10 0 CCAERO COc1ccc2nc(CNC[C@H]3C[NH2+]C[C@@H]3O)sc2c1 ZINC000263212653 537053447 /nfs/dbraw/zinc/05/34/47/537053447.db2.gz KKWNXCHHHGYESO-SKDRFNHKSA-N 1 0 293.392 0.975 10 0 CCAERO CCN(CC)S(=O)(=O)C[C@H]([NH3+])c1cccnc1 ZINC000757150289 581681043 /nfs/dbraw/zinc/68/10/43/581681043.db2.gz FEIWQINBPANJPA-NSHDSACASA-N 1 0 257.359 0.753 10 0 CCAERO CC(C)C[NH+]1CCC2(CCO[C@@H]2CS(N)(=O)=O)CC1 ZINC000757209880 581687487 /nfs/dbraw/zinc/68/74/87/581687487.db2.gz JVGFXGRVTOQFDO-GFCCVEGCSA-N 1 0 290.429 0.802 10 0 CCAERO CC(C)(C)[C@@H]([NH3+])CS(=O)(=O)N1CCOCC1 ZINC000757149796 581697302 /nfs/dbraw/zinc/69/73/02/581697302.db2.gz GDCHTTIITWOAOG-VIFPVBQESA-N 1 0 250.364 0.022 10 0 CCAERO CCCN(C)S(=O)(=O)C[C@@H]([NH3+])c1ccncc1 ZINC000757154105 581697330 /nfs/dbraw/zinc/69/73/30/581697330.db2.gz WCOZOJJGTKTIQS-LLVKDONJSA-N 1 0 257.359 0.753 10 0 CCAERO COC(=O)CCc1nc([C@]2(N)CN3CCC2CC3)no1 ZINC000757183211 581697944 /nfs/dbraw/zinc/69/79/44/581697944.db2.gz MRWIJEHIDFJTMS-ZDUSSCGKSA-N 1 0 280.328 0.055 10 0 CCAERO C[C@H]1CC[C@]2(CCCN2CCS(C)(=O)=O)C[NH2+]1 ZINC000757133905 581940430 /nfs/dbraw/zinc/94/04/30/581940430.db2.gz VPMPMCXAIZVFNL-NWDGAFQWSA-N 1 0 260.403 0.638 10 0 CCAERO CC(C)(CO)[NH2+]CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000035102019 614122184 /nfs/dbraw/zinc/12/21/84/614122184.db2.gz JLIFZEJABKUTIJ-UHFFFAOYSA-N 1 0 280.324 0.757 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)NCCc1nnc2ccccn21 ZINC000136426544 614225239 /nfs/dbraw/zinc/22/52/39/614225239.db2.gz WKKIZOWGOATRRQ-LLVKDONJSA-N 1 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SZXGIWZCIDPTES-RWMBFGLXSA-N 1 0 270.373 0.374 10 0 CCAERO CCN(CC)C(=O)CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000135364140 614975560 /nfs/dbraw/zinc/97/55/60/614975560.db2.gz MOBCXWUSIOFBKS-MNOVXSKESA-N 1 0 255.362 0.346 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cn1nc(CO)n(C)c1=S ZINC000120559514 615131344 /nfs/dbraw/zinc/13/13/44/615131344.db2.gz DHMJJDHJXNVIDI-LLVKDONJSA-N 1 0 299.444 0.817 10 0 CCAERO CC[C@H](CO)[N@@H+]1CC[C@H](Nc2ccc3nccn3n2)C1 ZINC000930528109 615734792 /nfs/dbraw/zinc/73/47/92/615734792.db2.gz HWSJXHNYWXBFHT-NWDGAFQWSA-N 1 0 275.356 0.986 10 0 CCAERO Cn1cnn(CN2CCO[C@H](C[NH+](C)C)C2)c1=S ZINC000152991259 615930770 /nfs/dbraw/zinc/93/07/70/615930770.db2.gz RVBUWLFQTLCQAT-SNVBAGLBSA-N 1 0 271.390 0.171 10 0 CCAERO COC(=O)/C=C(\C)C[N@@H+]1CCC[C@](O)(Cn2ccnn2)C1 ZINC000930390783 616312686 /nfs/dbraw/zinc/31/26/86/616312686.db2.gz NICZPMDDXWZICX-CEFACKQISA-N 1 0 294.355 0.224 10 0 CCAERO C[C@@H]1CN(c2nc(N)nc(C(F)(F)F)n2)C[C@H]1[NH+](C)C ZINC000312462274 625437233 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[NH3+][C@@H](CC1CC1)C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000311881339 623810768 /nfs/dbraw/zinc/81/07/68/623810768.db2.gz UQAZDTOIVXFKSU-OLZOCXBDSA-N 1 0 267.373 0.047 10 0 CCAERO CC(C)C[N@@H+]1CCO[C@H](COC(=O)[C@@H]2CNC(=O)C2)C1 ZINC000246959673 624610540 /nfs/dbraw/zinc/61/05/40/624610540.db2.gz GCYLCAFQSZYTOS-RYUDHWBXSA-N 1 0 284.356 0.023 10 0 CCAERO CCCOc1ccnc(N2CCCO[C@H](C[NH3+])C2)n1 ZINC000313351548 625770371 /nfs/dbraw/zinc/77/03/71/625770371.db2.gz KSIVNMYTYGVLDJ-LLVKDONJSA-N 1 0 266.345 0.819 10 0 CCAERO C[C@@](O)(C[N@@H+]1CCC[C@@](O)(CO)C1)c1ccccc1 ZINC000313644229 625866222 /nfs/dbraw/zinc/86/62/22/625866222.db2.gz TXAIUXMQMYZLJL-CABCVRRESA-N 1 0 265.353 0.713 10 0 CCAERO Cc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)s1 ZINC000218925753 631052452 /nfs/dbraw/zinc/05/24/52/631052452.db2.gz FNZSEGGFJDMJLJ-IVZWLZJFSA-N 1 0 254.355 0.957 10 0 CCAERO CC(C)N(C)S(=O)(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000226463774 631341729 /nfs/dbraw/zinc/34/17/29/631341729.db2.gz TZSFIERYCOXJQV-LLVKDONJSA-N 1 0 263.407 0.645 10 0 CCAERO C[NH+](C)CCCNC(=O)c1cnc2nsnc2c1 ZINC000222605575 631573084 /nfs/dbraw/zinc/57/30/84/631573084.db2.gz ZITYMHGFEINLGL-UHFFFAOYSA-N 1 0 265.342 0.768 10 0 CCAERO C[C@H]1CN(S(=O)(=O)c2cn3c(n2)CCCC3)C[C@H]1[NH3+] ZINC000262023466 631759764 /nfs/dbraw/zinc/75/97/64/631759764.db2.gz IWOMRRWQLOSAJL-VHSXEESVSA-N 1 0 284.385 0.187 10 0 CCAERO O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000897979486 633266626 /nfs/dbraw/zinc/26/66/26/633266626.db2.gz CLLKMUUUBLRJFM-CTHBEMJXSA-N 1 0 294.395 0.327 10 0 CCAERO Cc1nocc1NC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000898133049 633278699 /nfs/dbraw/zinc/27/86/99/633278699.db2.gz TUWXWMJBUMGOGS-MWLCHTKSSA-N 1 0 251.286 0.785 10 0 CCAERO O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CCC[C@H]1CCCO ZINC000901223382 634216653 /nfs/dbraw/zinc/21/66/53/634216653.db2.gz BSVANGBJJYOQQC-KBPBESRZSA-N 1 0 282.384 0.471 10 0 CCAERO O=C(N[C@H](CO)c1cccnc1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000910961426 635859959 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COC(=O)[C@@H]1C[N@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@@H]1C ZINC000227749464 637035087 /nfs/dbraw/zinc/03/50/87/637035087.db2.gz WOMYWSRKHJQQFA-VHSXEESVSA-N 1 0 297.355 0.058 10 0 CCAERO [NH3+][C@@H](CO)C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000169812049 637060732 /nfs/dbraw/zinc/06/07/32/637060732.db2.gz MGUXRZWMBMXZGL-VIFPVBQESA-N 1 0 262.231 0.641 10 0 CCAERO CCC[NH2+][C@@H](CCn1cc(Br)cn1)C(N)=O ZINC000062536256 637172511 /nfs/dbraw/zinc/17/25/11/637172511.db2.gz NVEVPWIJIXFEGJ-VIFPVBQESA-N 1 0 289.177 0.889 10 0 CCAERO [NH3+]Cc1cccc(C(=O)N2CC[C@@H](N3CCOCC3)C2)c1 ZINC000062975634 637190240 /nfs/dbraw/zinc/19/02/40/637190240.db2.gz NGWOULKINLDITK-OAHLLOKOSA-N 1 0 289.379 0.692 10 0 CCAERO Cc1ccc(N)cc1S(=O)(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000062965259 637191338 /nfs/dbraw/zinc/19/13/38/637191338.db2.gz GVYQCICGHBTLJN-LBPRGKRZSA-N 1 0 283.397 0.902 10 0 CCAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)C2=COCCC2)C[C@H]1C ZINC000174295647 637254613 /nfs/dbraw/zinc/25/46/13/637254613.db2.gz DWWNYIONMLRUBC-VXGBXAGGSA-N 1 0 268.357 0.594 10 0 CCAERO CC(C)NC(=O)CNC(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089387829 637630290 /nfs/dbraw/zinc/63/02/90/637630290.db2.gz XQHZMWQDPLVQPX-WDEREUQCSA-N 1 0 255.362 0.392 10 0 CCAERO C[NH+](C)[C@H]1CCN(Cn2ncc3ccccc3c2=O)C1 ZINC000170842939 638208265 /nfs/dbraw/zinc/20/82/65/638208265.db2.gz JRNNERQQYKUZMF-ZDUSSCGKSA-N 1 0 272.352 0.990 10 0 CCAERO CC1(CCNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)OCCO1 ZINC000185111913 638749103 /nfs/dbraw/zinc/74/91/03/638749103.db2.gz QLZTZOXZWXNIJZ-LBPRGKRZSA-N 1 0 283.372 0.629 10 0 CCAERO CC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000085368695 639041523 /nfs/dbraw/zinc/04/15/23/639041523.db2.gz BTEWMGLJMVABEJ-XQQFMLRXSA-N 1 0 267.373 0.631 10 0 CCAERO NC(=O)COc1ccc(C[NH2+][C@@H]2CCCOC2)cc1 ZINC000103965343 642788240 /nfs/dbraw/zinc/78/82/40/642788240.db2.gz IKKZMWSWRCWVAE-GFCCVEGCSA-N 1 0 264.325 0.819 10 0 CCAERO O=C(C[C@@H]1CC[NH2+]C1)NC[C@@H](O)c1ccc(F)cc1 ZINC000128141557 647145309 /nfs/dbraw/zinc/14/53/09/647145309.db2.gz NQMZLTKQXFWTOQ-GXFFZTMASA-N 1 0 266.316 0.975 10 0 CCAERO COCC[C@H](C)[NH2+]C[C@@H]1OCCN(C)[C@H]1c1ccnn1C ZINC000886095108 647899940 /nfs/dbraw/zinc/89/99/40/647899940.db2.gz LQZOHNHHLCWPCQ-QEJZJMRPSA-N 1 0 296.415 0.806 10 0 CCAERO COC(=O)N[C@H](CC(C)C)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000188415335 649350328 /nfs/dbraw/zinc/35/03/28/649350328.db2.gz NXJOIJRWSMGVKE-GHMZBOCLSA-N 1 0 271.361 0.577 10 0 CCAERO CO[C@@H]1CC(=O)N(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)C1 ZINC000189148315 649371405 /nfs/dbraw/zinc/37/14/05/649371405.db2.gz KWHGZDDCFFXKHJ-JHJVBQTASA-N 1 0 267.373 0.360 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000193595320 649547105 /nfs/dbraw/zinc/54/71/05/649547105.db2.gz XNDJKTHKFBRTBS-HOSYDEDBSA-N 1 0 291.355 0.019 10 0 CCAERO COC(=O)N(C)CCCC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000193648011 649551911 /nfs/dbraw/zinc/55/19/11/649551911.db2.gz HERZINGAWMRXRK-WDEREUQCSA-N 1 0 271.361 0.722 10 0 CCAERO CCOC(=O)CCNC(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089397457 649656834 /nfs/dbraw/zinc/65/68/34/649656834.db2.gz NXUAJUGYOONPSW-GHMZBOCLSA-N 1 0 256.346 0.821 10 0 CCAERO O=C1OCC[C@@H]1CC[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246314822 649670460 /nfs/dbraw/zinc/67/04/60/649670460.db2.gz CEVIKLADVQBBGC-QWHCGFSZSA-N 1 0 268.357 0.346 10 0 CCAERO O=c1n2ccccc2nn1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247152644 649703943 /nfs/dbraw/zinc/70/39/43/649703943.db2.gz SCVCUGJRRNEAEU-LBPRGKRZSA-N 1 0 273.340 0.234 10 0 CCAERO CCn1cc(S(=O)(=O)NCC2CC([NH3+])C2)nc1C ZINC000091525107 649705880 /nfs/dbraw/zinc/70/58/80/649705880.db2.gz CJXYVCAMKDVBIK-UHFFFAOYSA-N 1 0 272.374 0.227 10 0 CCAERO COC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)O1 ZINC000248681470 649735836 /nfs/dbraw/zinc/73/58/36/649735836.db2.gz DDKVMQAJRILGDO-LPWJVIDDSA-N 1 0 296.367 0.402 10 0 CCAERO C[C@H](O)C[N@@H+]1CCN(C[C@H]2CC3(CCC3)C(=O)O2)C[C@@H]1C ZINC000248899101 649738796 /nfs/dbraw/zinc/73/87/96/649738796.db2.gz UXKFPUCXHBJOQR-MELADBBJSA-N 1 0 296.411 0.859 10 0 CCAERO COC(=O)[C@H]1C[N@H+](CCn2ccnc2C)C[C@H]1C ZINC000250832122 649792563 /nfs/dbraw/zinc/79/25/63/649792563.db2.gz BRWJVIHAZJSAIA-PWSUYJOCSA-N 1 0 251.330 0.932 10 0 CCAERO COC(=O)c1cncc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1 ZINC000251825860 649820872 /nfs/dbraw/zinc/82/08/72/649820872.db2.gz PFSBSBGCUASWPV-MNOVXSKESA-N 1 0 276.340 0.936 10 0 CCAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CS(=O)(=O)C[C@H]2O)C[C@@H]1C ZINC000251852363 649821663 /nfs/dbraw/zinc/82/16/63/649821663.db2.gz PCJCXSURFBFPQT-YBXAARCKSA-N 1 0 261.387 0.559 10 0 CCAERO O=C(C[C@@H]1CCC[NH2+]C1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252545660 649828300 /nfs/dbraw/zinc/82/83/00/649828300.db2.gz JPEIBLIDBMJXNY-IHRRRGAJSA-N 1 0 281.400 0.356 10 0 CCAERO O=C1NC[C@H](C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)O1 ZINC000253088127 649839439 /nfs/dbraw/zinc/83/94/39/649839439.db2.gz DYIUFQWOAGMQQK-KKOKHZNYSA-N 1 0 254.330 0.720 10 0 CCAERO C[NH+]1CCC(C[N@@H+]2C[C@H](O)C[C@@H](C(=O)[O-])C2)CC1 ZINC000691377953 976353246 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CC(C)[C@H]([NH3+])C(=O)NC[C@H]1COC2(CCCC2)O1 ZINC000262533132 535055112 /nfs/dbraw/zinc/05/51/12/535055112.db2.gz IYYRSMCTWIYROK-QWRGUYRKSA-N 1 0 256.346 0.772 10 0 CCAERO C[C@H]1CCC[C@@](CNC(=O)C2=NNC(=O)CC2)([NH+](C)C)C1 ZINC000040670955 136753750 /nfs/dbraw/zinc/75/37/50/136753750.db2.gz GLFILOAAPACTPN-XHDPSFHLSA-N 1 0 294.399 0.879 10 0 CCAERO C[C@H](C(=O)N[C@H]1CC[C@H]([NH+](C)C)C1)S(C)(=O)=O ZINC000093796428 136808448 /nfs/dbraw/zinc/80/84/48/136808448.db2.gz IAOPOEDIRKIJMW-UTLUCORTSA-N 1 0 262.375 0.018 10 0 CCAERO CN(C(=O)c1ccc(Br)cn1)C1C[NH2+]C1 ZINC000085257613 136794294 /nfs/dbraw/zinc/79/42/94/136794294.db2.gz GXMIMUQHGOTHPD-UHFFFAOYSA-N 1 0 270.130 0.888 10 0 CCAERO CN1C(=S)N=NC1CCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000180951191 136892251 /nfs/dbraw/zinc/89/22/51/136892251.db2.gz CSVCYLYCFSJDKB-LBPRGKRZSA-N 1 0 283.401 0.295 10 0 CCAERO CCC(=O)N1CSC[C@@H]1C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261670878 137015139 /nfs/dbraw/zinc/01/51/39/137015139.db2.gz 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COCCN1CCN(C(=O)[C@@H](C)C2C[NH2+]C2)C[C@H]1C ZINC000262402438 137042034 /nfs/dbraw/zinc/04/20/34/137042034.db2.gz PPTKTJIDGKZPIB-NEPJUHHUSA-N 1 0 269.389 0.021 10 0 CCAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C3SCCS3)C[C@H]12 ZINC000262415078 137042413 /nfs/dbraw/zinc/04/24/13/137042413.db2.gz YVRWJGZVSXQLCJ-HRDYMLBCSA-N 1 0 258.412 0.988 10 0 CCAERO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)[C@H]([NH3+])COC ZINC000262511166 137045740 /nfs/dbraw/zinc/04/57/40/137045740.db2.gz JPAKBIHLQQYZEA-KGLIPLIRSA-N 1 0 280.368 0.851 10 0 CCAERO CCN(C(=O)[C@@H](C)C1C[NH2+]C1)[C@H](C)CS(=O)(=O)CC ZINC000262559975 137046982 /nfs/dbraw/zinc/04/69/82/137046982.db2.gz QMAQPNMEUOJLKJ-MNOVXSKESA-N 1 0 290.429 0.514 10 0 CCAERO C[C@@H](CO)CCCNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000262792849 137053403 /nfs/dbraw/zinc/05/34/03/137053403.db2.gz OPBBMYRPFNQOLV-SECBINFHSA-N 1 0 266.345 0.194 10 0 CCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCNC(=O)c1ccc(O)cc1 ZINC000262802475 137053700 /nfs/dbraw/zinc/05/37/00/137053700.db2.gz 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279.340 0.314 10 0 CCAERO CCOCCC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000174617103 351095079 /nfs/dbraw/zinc/09/50/79/351095079.db2.gz YYSICMILRJKDDS-OLZOCXBDSA-N 1 0 272.389 0.717 10 0 CCAERO Cc1cc(CC(=O)N2CCC[N@@H+](C3CC3)CC2)[nH]n1 ZINC000176127197 351157895 /nfs/dbraw/zinc/15/78/95/351157895.db2.gz NXCPHIOEGGGHNV-UHFFFAOYSA-N 1 0 262.357 0.957 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)CCCOC ZINC000175392696 351128163 /nfs/dbraw/zinc/12/81/63/351128163.db2.gz HHSWNFPYXGPFBG-LBPRGKRZSA-N 1 0 278.418 0.769 10 0 CCAERO Cc1nnc([C@@H]2CN(C(=O)C3([NH3+])CCCC3)CCO2)[nH]1 ZINC000178846918 351249552 /nfs/dbraw/zinc/24/95/52/351249552.db2.gz SQVDYPUDRXHNPH-JTQLQIEISA-N 1 0 279.344 0.285 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCOCCOC ZINC000177436828 351203628 /nfs/dbraw/zinc/20/36/28/351203628.db2.gz RKJAREMPMDVVDN-CYBMUJFWSA-N 1 0 287.404 0.775 10 0 CCAERO O=C(Nc1ccsc1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178173134 351222045 /nfs/dbraw/zinc/22/20/45/351222045.db2.gz 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O=C(NC[C@@H]1CCCC[C@@H]1O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188597113 351610117 /nfs/dbraw/zinc/61/01/17/351610117.db2.gz PJYOMWSZIPEBDZ-CABZTGNLSA-N 1 0 278.356 0.336 10 0 CCAERO CC(C)(C)n1cc(CNC[C@@H]2CN(C3CC3)CCO2)nn1 ZINC000190979107 351741189 /nfs/dbraw/zinc/74/11/89/351741189.db2.gz UZVFJUFVKGBLLQ-CQSZACIVSA-N 1 0 293.415 0.986 10 0 CCAERO CN1CCC[N@H+](CCC(=O)NC2CCCC2)CC1=O ZINC000191088283 351745525 /nfs/dbraw/zinc/74/55/25/351745525.db2.gz FJWHZGWCUOECJC-UHFFFAOYSA-N 1 0 267.373 0.599 10 0 CCAERO CC(C)[NH2+]CCN1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000191403125 351756985 /nfs/dbraw/zinc/75/69/85/351756985.db2.gz YPBOSULBTKSCEB-AWEZNQCLSA-N 1 0 283.416 0.555 10 0 CCAERO CS[C@@H](C)CC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000121870746 187002350 /nfs/dbraw/zinc/00/23/50/187002350.db2.gz KZVUKBXOMWIGFL-WDEREUQCSA-N 1 0 260.403 0.917 10 0 CCAERO C[N@H+]1C[C@H]2CN(CCn3cnc4ccccc4c3=O)C[C@H]2C1 ZINC000193606957 351835048 /nfs/dbraw/zinc/83/50/48/351835048.db2.gz IIBZTBDAIHPUNC-OKILXGFUSA-N 1 0 298.390 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ZINC000630356674 370060119 /nfs/dbraw/zinc/06/01/19/370060119.db2.gz STICXBHTZDRHEJ-HIFRSBDPSA-N 1 0 283.416 0.827 10 0 CCAERO CO[C@@H]1CN(S(=O)(=O)c2ccsc2)[C@@](C)(C[NH3+])C1 ZINC000630358651 370061080 /nfs/dbraw/zinc/06/10/80/370061080.db2.gz AKAUVUIXZDFWKN-GXSJLCMTSA-N 1 0 290.410 0.875 10 0 CCAERO CCCS(=O)(=O)N1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630359232 370062009 /nfs/dbraw/zinc/06/20/09/370062009.db2.gz LOLJHNYAFYAEFB-ZJUUUORDSA-N 1 0 250.364 0.164 10 0 CCAERO CO[C@@H]1CN(S(=O)(=O)c2ccsc2)[C@](C)(C[NH3+])C1 ZINC000630358654 370062244 /nfs/dbraw/zinc/06/22/44/370062244.db2.gz AKAUVUIXZDFWKN-ONGXEEELSA-N 1 0 290.410 0.875 10 0 CCAERO CO[C@@H]1CN(S(=O)(=O)CC2CC2)[C@@](C)(C[NH3+])C1 ZINC000630359435 370062502 /nfs/dbraw/zinc/06/25/02/370062502.db2.gz CJUBOQHSCRKZHZ-WDEREUQCSA-N 1 0 262.375 0.164 10 0 CCAERO CO[C@@H]1CN(CCn2c(C)csc2=O)[C@](C)(C[NH3+])C1 ZINC000630365350 370066455 /nfs/dbraw/zinc/06/64/55/370066455.db2.gz XPUSLHSDKBJRRZ-AAEUAGOBSA-N 1 0 285.413 0.656 10 0 CCAERO 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372180169 /nfs/dbraw/zinc/18/01/69/372180169.db2.gz JMDHNZPQZMMKAM-WFASDCNBSA-N 1 0 279.384 0.361 10 0 CCAERO O=C(NCCCN1CCOCC1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634762651 372208920 /nfs/dbraw/zinc/20/89/20/372208920.db2.gz CPQNWPDBQUIWDC-ZFWWWQNUSA-N 1 0 281.400 0.215 10 0 CCAERO CN(Cc1nccn1C)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634770150 372218119 /nfs/dbraw/zinc/21/81/19/372218119.db2.gz BAZNDQNEVYUWPM-FZMZJTMJSA-N 1 0 262.357 0.768 10 0 CCAERO CN(C[C@@H]1CCC[C@H]1O)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634771149 372221895 /nfs/dbraw/zinc/22/18/95/372221895.db2.gz KCESDZXHNUMKDK-XPCVCDNBSA-N 1 0 266.385 0.996 10 0 CCAERO CC(=O)NC1CCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC000634748101 372195075 /nfs/dbraw/zinc/19/50/75/372195075.db2.gz MMHPGXDAOXFGME-WFASDCNBSA-N 1 0 279.384 0.503 10 0 CCAERO NC(=O)NC1CCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC000634749451 372195301 /nfs/dbraw/zinc/19/53/01/372195301.db2.gz SVGSZDWUZXADRK-HZMBPMFUSA-N 1 0 280.372 0.035 10 0 CCAERO Cc1nccn1-c1ccc(CNC(=O)[C@H]2CC[NH2+]C2)cn1 ZINC000237644572 189885726 /nfs/dbraw/zinc/88/57/26/189885726.db2.gz XTXIFFFGKPWWQR-ZDUSSCGKSA-N 1 0 285.351 0.801 10 0 CCAERO CCc1noc(NC(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])n1 ZINC000333345658 205239344 /nfs/dbraw/zinc/23/93/44/205239344.db2.gz QMRUBMYXJBYXMW-DTWKUNHWSA-N 1 0 267.333 0.645 10 0 CCAERO C[C@H](NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)C1CCCCC1 ZINC000333357361 205249963 /nfs/dbraw/zinc/24/99/63/205249963.db2.gz KMJNOQGNBBGEPS-DRZSPHRISA-N 1 0 269.389 0.929 10 0 CCAERO Cn1cc(C(=O)N[C@@H]2CCCOC2)c([C@H]2CCC[NH2+]C2)n1 ZINC000333353184 205246109 /nfs/dbraw/zinc/24/61/09/205246109.db2.gz BNUGOTUPWDVNFA-NWDGAFQWSA-N 1 0 292.383 0.796 10 0 CCAERO C[C@H]1C[NH2+]CCN1C(=O)NCc1ccn2ccnc2c1 ZINC000333446172 205327380 /nfs/dbraw/zinc/32/73/80/205327380.db2.gz WWAJBKZXCNYJRX-NSHDSACASA-N 1 0 273.340 0.838 10 0 CCAERO CC1(C)COCCN1CCNC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333458742 205336716 /nfs/dbraw/zinc/33/67/16/205336716.db2.gz YRVHLYLURGZVAV-ZDUSSCGKSA-N 1 0 298.431 0.539 10 0 CCAERO C[C@H](NC(=O)N[C@@H]1CCCC[NH2+]C1)c1cnn(C)c1 ZINC000333459901 205337642 /nfs/dbraw/zinc/33/76/42/205337642.db2.gz YWUNPGFUSUQPJL-CMPLNLGQSA-N 1 0 265.361 0.922 10 0 CCAERO C[C@@H]1C[C@@H](NCc2nnc(C3CC[NH2+]CC3)[nH]2)[C@H](C)O1 ZINC000333462677 205340689 /nfs/dbraw/zinc/34/06/89/205340689.db2.gz GUURNUMZVMKQMA-JFGNBEQYSA-N 1 0 279.388 0.927 10 0 CCAERO CC1(C)CN(C(=O)N[C@H]2CCO[C@@H]2C2CC2)CC[NH2+]1 ZINC000333494624 205372212 /nfs/dbraw/zinc/37/22/12/205372212.db2.gz CSCYZOSTBPPMNI-NWDGAFQWSA-N 1 0 267.373 0.947 10 0 CCAERO COC[C@@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)CCO1 ZINC000333655261 205558401 /nfs/dbraw/zinc/55/84/01/205558401.db2.gz KOCGPURIUABATF-RYUDHWBXSA-N 1 0 271.361 0.185 10 0 CCAERO CO[C@@H](CNC(=O)N[C@H]1CCCC[NH2+]C1)C1CC1 ZINC000333858617 205777105 /nfs/dbraw/zinc/77/71/05/205777105.db2.gz YVNJDAIUVWCGTJ-RYUDHWBXSA-N 1 0 255.362 0.853 10 0 CCAERO CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000637797851 374322297 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CCOC[C@@H]1CN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000638602097 375180622 /nfs/dbraw/zinc/18/06/22/375180622.db2.gz KOXVBXJGUBMOGH-WOPDTQHZSA-N 1 0 256.346 0.378 10 0 CCAERO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000638629834 375233544 /nfs/dbraw/zinc/23/35/44/375233544.db2.gz POXSLJYPBOGYRM-WUHRBBMRSA-N 1 0 283.416 0.598 10 0 CCAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000638629845 375233588 /nfs/dbraw/zinc/23/35/88/375233588.db2.gz PXSNVSIIDXPOAL-IYKVGLELSA-N 1 0 256.346 0.151 10 0 CCAERO CCOC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)CCO1 ZINC000638606797 375187378 /nfs/dbraw/zinc/18/73/78/375187378.db2.gz ZJOKBLRNPQMVOY-GRYCIOLGSA-N 1 0 256.346 0.106 10 0 CCAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)C1([NH3+])CCOCC1 ZINC000638628549 375231605 /nfs/dbraw/zinc/23/16/05/375231605.db2.gz LLNQTAAHZAYAPL-LMLFDSFASA-N 1 0 256.346 0.422 10 0 CCAERO CCN1CC[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1=O ZINC000638826867 375396231 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C[C@H]1CN(C(=O)CNC(=O)c2ccccc2)C[C@@H]1C[NH3+] ZINC000638887488 375426975 /nfs/dbraw/zinc/42/69/75/375426975.db2.gz VHSOSVHJTBPGHT-AAEUAGOBSA-N 1 0 275.352 0.470 10 0 CCAERO CCc1nn(C)cc1C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638898156 375435832 /nfs/dbraw/zinc/43/58/32/375435832.db2.gz IOSCAFJSBHYYDZ-NXEZZACHSA-N 1 0 250.346 0.649 10 0 CCAERO CCc1cc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)n(C)n1 ZINC000638902042 375439885 /nfs/dbraw/zinc/43/98/85/375439885.db2.gz NSXWLXCOPWLSET-ZJUUUORDSA-N 1 0 250.346 0.649 10 0 CCAERO CC(=O)N[C@@H](CC(C)C)C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638902635 375439957 /nfs/dbraw/zinc/43/99/57/375439957.db2.gz LGUFMEUMUNSULG-UHTWSYAYSA-N 1 0 269.389 0.590 10 0 CCAERO CS(=O)(=O)c1cccnc1N1CC2CC1(C[NH3+])C2 ZINC000656610586 412835916 /nfs/dbraw/zinc/83/59/16/412835916.db2.gz GIYCFRNKZPPHIF-UHFFFAOYSA-N 1 0 267.354 0.413 10 0 CCAERO COC[C@](C)(CO)[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000639952778 376151015 /nfs/dbraw/zinc/15/10/15/376151015.db2.gz SNIPNDXBBHJVCN-CABCVRRESA-N 1 0 283.368 0.551 10 0 CCAERO Cc1cc(=O)n2nc(CN3CC[N@@H+](C)C[C@H]3C)sc2n1 ZINC000408111686 249007597 /nfs/dbraw/zinc/00/75/97/249007597.db2.gz GRQWQWJWECGPTA-SNVBAGLBSA-N 1 0 293.396 0.595 10 0 CCAERO CC(C)[NH+]1CCC(NC(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000110358206 284642326 /nfs/dbraw/zinc/64/23/26/284642326.db2.gz GJGITNBPCLKYBB-JTQLQIEISA-N 1 0 253.346 0.112 10 0 CCAERO C[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)C1CC1 ZINC000133523941 284837866 /nfs/dbraw/zinc/83/78/66/284837866.db2.gz KEZHXKIKKZNVNH-SNVBAGLBSA-N 1 0 293.371 0.298 10 0 CCAERO CC1(C)CN(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)CC[C@@H]1[NH3+] ZINC000334921013 207295822 /nfs/dbraw/zinc/29/58/22/207295822.db2.gz BCKFWOCRSUEORR-JQWIXIFHSA-N 1 0 294.399 0.519 10 0 CCAERO CCN1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000334946384 207336151 /nfs/dbraw/zinc/33/61/51/207336151.db2.gz WZQCYJLSVYSTLX-FUNVUKJBSA-N 1 0 266.389 0.617 10 0 CCAERO O=C1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)CN1 ZINC000261968723 296329614 /nfs/dbraw/zinc/32/96/14/296329614.db2.gz QHJYTFXJJBEDHX-WUHRBBMRSA-N 1 0 267.373 0.012 10 0 CCAERO CC(C)[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)[C@@H](C)C[NH2+]1 ZINC000083541640 184602815 /nfs/dbraw/zinc/60/28/15/184602815.db2.gz WAFNKKJWURKWEM-AVGNSLFASA-N 1 0 274.430 0.739 10 0 CCAERO CN1CCO[C@@H](C[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657349753 412966481 /nfs/dbraw/zinc/96/64/81/412966481.db2.gz LVJFTUADKRWXJP-LBPRGKRZSA-N 1 0 250.346 0.250 10 0 CCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@H]2CCCCO2)C[C@@H]1C ZINC000246228732 285011292 /nfs/dbraw/zinc/01/12/92/285011292.db2.gz WUQLYUGPKYHLBS-MELADBBJSA-N 1 0 284.400 0.859 10 0 CCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@H]2CCCCO2)C[C@H]1C ZINC000246228718 285011367 /nfs/dbraw/zinc/01/13/67/285011367.db2.gz WUQLYUGPKYHLBS-HZSPNIEDSA-N 1 0 284.400 0.859 10 0 CCAERO CC[N@H+](CC(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1)C1CC1 ZINC000246363818 285016731 /nfs/dbraw/zinc/01/67/31/285016731.db2.gz XQZZNFMCURZRLN-QWHCGFSZSA-N 1 0 283.416 0.384 10 0 CCAERO CC[C@H](C(=O)N1CCN(CCOC)[C@@H](C)C1)[NH+](C)C ZINC000246842187 285034115 /nfs/dbraw/zinc/03/41/15/285034115.db2.gz BARLRNOEKWWEHZ-QWHCGFSZSA-N 1 0 271.405 0.506 10 0 CCAERO CC[C@@H]1CN(C[C@@H](O)Cn2cccn2)CC[N@@H+]1C[C@@H](C)O ZINC000247034254 285041098 /nfs/dbraw/zinc/04/10/98/285041098.db2.gz DIAHUMUYIMANAZ-RBSFLKMASA-N 1 0 296.415 0.021 10 0 CCAERO CCOC[C@@H]1CC[N@H+](C[C@@H](O)CN2CCCC2=O)C1 ZINC000247311386 285047188 /nfs/dbraw/zinc/04/71/88/285047188.db2.gz JZXKFSYEIUXRFD-CHWSQXEVSA-N 1 0 270.373 0.328 10 0 CCAERO CC[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)CCS1 ZINC000247461151 285052154 /nfs/dbraw/zinc/05/21/54/285052154.db2.gz IJLPNWGRVAYPMR-VXGBXAGGSA-N 1 0 299.440 0.538 10 0 CCAERO C[C@@H]1CC[C@H](C)[N@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000247644678 285056906 /nfs/dbraw/zinc/05/69/06/285056906.db2.gz UDLPHPZYZZUFHL-FRRDWIJNSA-N 1 0 281.400 0.831 10 0 CCAERO CC(=O)N1CSC[C@@H]1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000247525486 285053846 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0 299.415 0.510 10 0 CCAERO CC(C)([NH3+])c1cn(Cc2ccc(S(C)(=O)=O)cc2)nn1 ZINC000380253379 389763567 /nfs/dbraw/zinc/76/35/67/389763567.db2.gz OHCKXAGMVKTQSH-UHFFFAOYSA-N 1 0 294.380 0.924 10 0 CCAERO Cc1cc(NC(=O)CC[N@H+]2C[C@H](O)C[C@H](C)C2)no1 ZINC000401526621 389799274 /nfs/dbraw/zinc/79/92/74/389799274.db2.gz GCEHUXFEGLAODV-GXSJLCMTSA-N 1 0 267.329 0.436 10 0 CCAERO CCCCNC(=O)[C@H](C)[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000392866783 389774498 /nfs/dbraw/zinc/77/44/98/389774498.db2.gz ATVYNCIYFRNHBR-DCAQKATOSA-N 1 0 255.362 0.548 10 0 CCAERO O[C@@H](C[N@@H+]1CCC[C@H]1[C@H]1COCC[C@H]1O)C(F)(F)F ZINC000407966902 389816966 /nfs/dbraw/zinc/81/69/66/389816966.db2.gz ZXAQAIFJTUIZRK-YTWAJWBKSA-N 1 0 283.290 0.771 10 0 CCAERO C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCS(=O)(=O)CC1 ZINC000407997443 389818761 /nfs/dbraw/zinc/81/87/61/389818761.db2.gz OVMMCSUPIKTBJJ-LBPRGKRZSA-N 1 0 288.413 0.508 10 0 CCAERO O=C(N1CCCC1)[C@@]1(O)CCC[N@@H+](CC2(O)CCC2)C1 ZINC000408047269 389822554 /nfs/dbraw/zinc/82/25/54/389822554.db2.gz FZTPYHVRJSAOLK-OAHLLOKOSA-N 1 0 282.384 0.351 10 0 CCAERO C[C@@H]1C[C@H](C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC(=O)N1 ZINC000408206865 389835382 /nfs/dbraw/zinc/83/53/82/389835382.db2.gz UUIMTWWTHFQMCN-WYUUTHIRSA-N 1 0 267.373 0.500 10 0 CCAERO CCCNS(=O)(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000408233104 389836619 /nfs/dbraw/zinc/83/66/19/389836619.db2.gz RSXSJVGFARKVJJ-NEPJUHHUSA-N 1 0 275.418 0.789 10 0 CCAERO O[C@@H]1C[NH2+]C[C@H]1CNc1ncccc1Br ZINC000420236628 389970236 /nfs/dbraw/zinc/97/02/36/389970236.db2.gz GDJQIZHEQOEOEN-IONNQARKSA-N 1 0 272.146 0.836 10 0 CCAERO CCc1cc(CC)nc(NC[C@H]2C[NH2+]C[C@@H]2O)n1 ZINC000420245290 389972343 /nfs/dbraw/zinc/97/23/43/389972343.db2.gz QZDGCIOXQCWSHJ-SKDRFNHKSA-N 1 0 250.346 0.016 10 0 CCAERO CC(C)[C@H]1CN(Cc2nnnn2C(C)C)CC[NH2+]1 ZINC000647929237 390220083 /nfs/dbraw/zinc/22/00/83/390220083.db2.gz UMTGDVSBIGATFM-LLVKDONJSA-N 1 0 252.366 0.684 10 0 CCAERO O=C(CNC(=O)Nc1ccccc1)NC[C@H]1CC[NH2+]C1 ZINC000648109373 390289756 /nfs/dbraw/zinc/28/97/56/390289756.db2.gz NZGGSAUEOMSQCE-NSHDSACASA-N 1 0 276.340 0.534 10 0 CCAERO C[C@H](O)C1CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000648055035 390266882 /nfs/dbraw/zinc/26/68/82/390266882.db2.gz IODHEAFVDVTJQB-GXSJLCMTSA-N 1 0 276.327 0.851 10 0 CCAERO COC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000593911875 390367366 /nfs/dbraw/zinc/36/73/66/390367366.db2.gz QBNVUNCZFGFNBI-TUAOUCFPSA-N 1 0 268.357 0.786 10 0 CCAERO CS(=O)(=O)CCCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000644953227 390354446 /nfs/dbraw/zinc/35/44/46/390354446.db2.gz ZERHXMAJHWPYBX-YNEHKIRRSA-N 1 0 275.414 0.904 10 0 CCAERO COCCC1(C(=O)NCC(C)(C)C(N)=O)CC[NH2+]CC1 ZINC000643647153 390489047 /nfs/dbraw/zinc/48/90/47/390489047.db2.gz MBUCSUWBCWJYGD-UHFFFAOYSA-N 1 0 285.388 0.020 10 0 CCAERO CN(C[C@@H]1CCCCO1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643653474 390491955 /nfs/dbraw/zinc/49/19/55/390491955.db2.gz NOUDZEMVUQFKEQ-NEPJUHHUSA-N 1 0 256.346 0.250 10 0 CCAERO COC[C@]1(C(=O)NCC(C)(C)C[C@@H](C)O)CCC[NH2+]1 ZINC000643713280 390512115 /nfs/dbraw/zinc/51/21/15/390512115.db2.gz PJIAFWYJWFQYKX-RISCZKNCSA-N 1 0 272.389 0.668 10 0 CCAERO CN(CCc1cccs1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643716390 390515101 /nfs/dbraw/zinc/51/51/01/390515101.db2.gz BMMAKSKRUFXXPP-LLVKDONJSA-N 1 0 268.382 0.985 10 0 CCAERO COc1ccc(NC(=O)[C@H]2C[NH2+]CCOC2)cc1 ZINC000643615144 390469569 /nfs/dbraw/zinc/46/95/69/390469569.db2.gz WGBNKKUELDYKEI-JTQLQIEISA-N 1 0 250.298 0.870 10 0 CCAERO COc1ccccc1NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643614593 390469641 /nfs/dbraw/zinc/46/96/41/390469641.db2.gz DBVSWEGMYDUSHS-SNVBAGLBSA-N 1 0 250.298 0.870 10 0 CCAERO Cc1cc(C)n(CCCNC(=O)[C@@H]2C[NH2+]CCOC2)n1 ZINC000643618687 390473359 /nfs/dbraw/zinc/47/33/59/390473359.db2.gz YDZDCVPMHKANBP-CYBMUJFWSA-N 1 0 280.372 0.242 10 0 CCAERO COCCC1(C(=O)N2CCO[C@@H](C)C2)CC[NH2+]CC1 ZINC000643624958 390476908 /nfs/dbraw/zinc/47/69/08/390476908.db2.gz MQAFQHQWVPMNGF-LBPRGKRZSA-N 1 0 270.373 0.640 10 0 CCAERO COC[C@@]1(C(=O)NCC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000643627044 390477500 /nfs/dbraw/zinc/47/75/00/390477500.db2.gz ISDRGPOWLCWMAD-WCQYABFASA-N 1 0 256.346 0.440 10 0 CCAERO O=C(Nc1ccc(CCO)cc1)[C@@H]1C[NH2+]CCOC1 ZINC000643628217 390478303 /nfs/dbraw/zinc/47/83/03/390478303.db2.gz CYQFTDRWXYQYGO-GFCCVEGCSA-N 1 0 264.325 0.396 10 0 CCAERO O=C(NCc1cccc(F)c1)[C@H]1C[NH2+]CCOC1 ZINC000643628413 390479913 /nfs/dbraw/zinc/47/99/13/390479913.db2.gz WFQGAGXWOYJGIY-NSHDSACASA-N 1 0 252.289 0.678 10 0 CCAERO COCCC1(C(=O)NCC[C@@H](C)O)CC[NH2+]CC1 ZINC000643630420 390480694 /nfs/dbraw/zinc/48/06/94/390480694.db2.gz KUIHQRZRAKDUQP-LLVKDONJSA-N 1 0 258.362 0.280 10 0 CCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCOC[C@H]2CCCO2)C1 ZINC000556699493 390486590 /nfs/dbraw/zinc/48/65/90/390486590.db2.gz ZABBCDAVGJGVST-YNEHKIRRSA-N 1 0 259.346 0.264 10 0 CCAERO O=C([C@H]1CCC[NH2+]C1)N1CCO[C@H](C(F)(F)F)C1 ZINC000646054322 390586235 /nfs/dbraw/zinc/58/62/35/390586235.db2.gz SBTPPJYCOPSYEW-IUCAKERBSA-N 1 0 266.263 0.776 10 0 CCAERO COCCC1(C(=O)N2CCN(C)CC2)CC[NH2+]CC1 ZINC000643767713 390538141 /nfs/dbraw/zinc/53/81/41/390538141.db2.gz UFVFZUAOVLHOKU-UHFFFAOYSA-N 1 0 269.389 0.167 10 0 CCAERO COC[C@]1(C(=O)N[C@@H](C)c2ncon2)CCC[NH2+]1 ZINC000643768094 390539079 /nfs/dbraw/zinc/53/90/79/390539079.db2.gz RLRCRLXZXXQGJW-KWQFWETISA-N 1 0 254.290 0.015 10 0 CCAERO COCCC1(C(=O)NCCn2cccn2)CC[NH2+]CC1 ZINC000643775335 390541065 /nfs/dbraw/zinc/54/10/65/390541065.db2.gz NEGZLVJJDHDWHJ-UHFFFAOYSA-N 1 0 280.372 0.406 10 0 CCAERO CCC[C@H]1CN(C(=O)[C@@H]2C[NH2+]CCOC2)CCO1 ZINC000643780453 390545210 /nfs/dbraw/zinc/54/52/10/390545210.db2.gz JNEXWJJMKJKAMA-NEPJUHHUSA-N 1 0 256.346 0.250 10 0 CCAERO C[C@H](CNC(=O)[C@H]1C[NH2+]CCOC1)c1nccs1 ZINC000643788480 390550965 /nfs/dbraw/zinc/55/09/65/390550965.db2.gz YEYZFTMULTYMGV-ZJUUUORDSA-N 1 0 269.370 0.599 10 0 CCAERO O=C(COc1cccc(Cl)c1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000565886044 390554715 /nfs/dbraw/zinc/55/47/15/390554715.db2.gz FTRFLPGSGLYGCM-QWHCGFSZSA-N 1 0 296.754 0.918 10 0 CCAERO COC[C@]1(C(=O)N2CCN(CC3CC3)CC2)CCC[NH2+]1 ZINC000649299259 390558525 /nfs/dbraw/zinc/55/85/25/390558525.db2.gz COFPIEVMQOGXCG-HNNXBMFYSA-N 1 0 281.400 0.309 10 0 CCAERO CN1CCN(C(=O)[C@@H]2C[NH2+]CCOC2)c2ccccc21 ZINC000649302821 390562393 /nfs/dbraw/zinc/56/23/93/390562393.db2.gz SXMJHVQCFSVEBO-GFCCVEGCSA-N 1 0 275.352 0.705 10 0 CCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)Cn1cnc2ccccc21 ZINC000649362464 390606011 /nfs/dbraw/zinc/60/60/11/390606011.db2.gz LCHIFZANTMOAGX-MNOVXSKESA-N 1 0 258.325 0.984 10 0 CCAERO CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000643991559 390616312 /nfs/dbraw/zinc/61/63/12/390616312.db2.gz KZBWVMWKDHRRNY-GHMZBOCLSA-N 1 0 289.326 0.358 10 0 CCAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000646640692 390702552 /nfs/dbraw/zinc/70/25/52/390702552.db2.gz WQTRWDITVUJMAJ-YIBTVLSRSA-N 1 0 277.368 0.397 10 0 CCAERO CC(C)CN1C[C@H](C(=O)N[C@H]2CCC[NH2+][C@H]2C)CC1=O ZINC000647017379 390757819 /nfs/dbraw/zinc/75/78/19/390757819.db2.gz CDARXYZXJMNSQW-XQQFMLRXSA-N 1 0 281.400 0.748 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000647017612 390757973 /nfs/dbraw/zinc/75/79/73/390757973.db2.gz QYZRSIUYCNGLOB-HOSYDEDBSA-N 1 0 265.357 0.254 10 0 CCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(CNC(N)=O)cc1 ZINC000647044678 390764734 /nfs/dbraw/zinc/76/47/34/390764734.db2.gz KBASUMKDJBDOOF-JOYOIKCWSA-N 1 0 276.340 0.417 10 0 CCAERO C[C@H]1CN(C(=O)CN(C)c2ccc(Cl)cn2)C[C@H]1[NH3+] ZINC000647084668 390772129 /nfs/dbraw/zinc/77/21/29/390772129.db2.gz VDBGJUIMPPYXCJ-GXSJLCMTSA-N 1 0 282.775 0.977 10 0 CCAERO C[C@@H]1CN(C(=O)CN(C)c2ccc(Cl)cn2)C[C@@H]1[NH3+] ZINC000647084669 390772316 /nfs/dbraw/zinc/77/23/16/390772316.db2.gz VDBGJUIMPPYXCJ-KOLCDFICSA-N 1 0 282.775 0.977 10 0 CCAERO O=C(CNC(=O)c1cccc(F)c1)NC[C@@H]1CC[NH2+]C1 ZINC000646967510 390750676 /nfs/dbraw/zinc/75/06/76/390750676.db2.gz YBKLIPLGOTUPLL-SNVBAGLBSA-N 1 0 279.315 0.281 10 0 CCAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)NC2(CO)CCC2)C1 ZINC000342068838 130233974 /nfs/dbraw/zinc/23/39/74/130233974.db2.gz KZBJXMOKIJLGSV-WDEREUQCSA-N 1 0 255.362 0.683 10 0 CCAERO [NH3+]C[C@H]1CC[C@@H](C(=O)NC[C@H](O)c2ccccc2F)O1 ZINC000261794847 131169206 /nfs/dbraw/zinc/16/92/06/131169206.db2.gz NSXRHAVYBVPOFU-ICCXJUOJSA-N 1 0 282.315 0.482 10 0 CCAERO [NH3+]C[C@H]1CC[C@@H](C(=O)NCCNC(=O)c2ccccc2)O1 ZINC000261822793 131171261 /nfs/dbraw/zinc/17/12/61/131171261.db2.gz PNKCZDFBKOODFH-OLZOCXBDSA-N 1 0 291.351 0.039 10 0 CCAERO C[C@@H](C[NH3+])NC(=O)C[C@H](NC(N)=O)c1cccs1 ZINC000262525566 131229913 /nfs/dbraw/zinc/22/99/13/131229913.db2.gz KQOITZZZTPSCAN-YUMQZZPRSA-N 1 0 270.358 0.311 10 0 CCAERO [NH3+]Cc1cc2ccccc2nc1N1CCNC(=O)C1 ZINC000020469728 134731709 /nfs/dbraw/zinc/73/17/09/134731709.db2.gz BGVKMLJYGYYZOQ-UHFFFAOYSA-N 1 0 256.309 0.630 10 0 CCAERO C[N@H+](C[C@@H](O)CN1CC(n2cccn2)C1)C1CC1 ZINC000685563773 545835631 /nfs/dbraw/zinc/83/56/31/545835631.db2.gz FJRUEKACEZGYKR-CYBMUJFWSA-N 1 0 250.346 0.195 10 0 CCAERO CN(Cc1cnn(C)c1)C(=O)C1CCC([NH3+])CC1 ZINC000037800784 397385958 /nfs/dbraw/zinc/38/59/58/397385958.db2.gz OZCHFVYQCYEIGM-UHFFFAOYSA-N 1 0 250.346 0.896 10 0 CCAERO O=C(CCc1ccnc2ccccc12)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262091123 143937311 /nfs/dbraw/zinc/93/73/11/143937311.db2.gz DBGNZSZJLLHUAA-CJNGLKHVSA-N 1 0 299.374 0.864 10 0 CCAERO NC(=O)CN(C(=O)[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000037813873 397387584 /nfs/dbraw/zinc/38/75/84/397387584.db2.gz VJLYSZLWHQMOFV-JTQLQIEISA-N 1 0 253.346 0.243 10 0 CCAERO COc1ccc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]32)c(C)c1 ZINC000368635555 144236499 /nfs/dbraw/zinc/23/64/99/144236499.db2.gz SARHAHZADPJZLQ-WCQYABFASA-N 1 0 296.392 0.986 10 0 CCAERO Cc1noc(CCNC(=O)[C@H]2CCC[NH2+][C@H]2C)n1 ZINC000384246268 397495759 /nfs/dbraw/zinc/49/57/59/397495759.db2.gz KMPSZBINSHAJSV-WPRPVWTQSA-N 1 0 252.318 0.425 10 0 CCAERO Cc1nc(NC[C@H]2CCCC[NH2+]2)sc1S(N)(=O)=O ZINC000385571001 397498600 /nfs/dbraw/zinc/49/86/00/397498600.db2.gz XJAPLRCLSFWDGH-MRVPVSSYSA-N 1 0 290.414 0.075 10 0 CCAERO COc1ccc(CN2CCO[C@@H]3CC[N@H+](C)C[C@H]32)nn1 ZINC000284965600 286306903 /nfs/dbraw/zinc/30/69/03/286306903.db2.gz WSODPTDDLPMAFN-CHWSQXEVSA-N 1 0 278.356 0.390 10 0 CCAERO CCO[C@@H]1C[C@H](NC(=O)N2C[C@H](C)[C@H]([NH3+])C2)[C@@]12CCCO2 ZINC000333583266 286356661 /nfs/dbraw/zinc/35/66/61/286356661.db2.gz AKGXUQXDOZBWLG-ARUSPNSKSA-N 1 0 297.399 0.702 10 0 CCAERO CCO[C@@H]1C[C@H]([NH2+]CCS(C)(=O)=O)C12CCOCC2 ZINC000186294176 286387218 /nfs/dbraw/zinc/38/72/18/286387218.db2.gz LIWFDNKLXXPHHX-NWDGAFQWSA-N 1 0 291.413 0.595 10 0 CCAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCN(C)C2=O)C12CCOCC2 ZINC000249002063 286405622 /nfs/dbraw/zinc/40/56/22/286405622.db2.gz NFUOOKGSLMIDJR-RWMBFGLXSA-N 1 0 282.384 0.781 10 0 CCAERO COCCC[C@H](C)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000181937852 292380287 /nfs/dbraw/zinc/38/02/87/292380287.db2.gz FKXIYCVOXJZTRE-QWHCGFSZSA-N 1 0 272.389 0.838 10 0 CCAERO COC[C@H](CCNC(=O)[C@@H]1CCC[C@H]1C[NH3+])OC ZINC000659334617 413427492 /nfs/dbraw/zinc/42/74/92/413427492.db2.gz CIRKVUBISDFYBF-SDDRHHMPSA-N 1 0 258.362 0.529 10 0 CCAERO O=C1C(=O)N(C2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000008608540 170342580 /nfs/dbraw/zinc/34/25/80/170342580.db2.gz PGGAUVBBIRFPFO-UHFFFAOYSA-N 1 0 287.363 0.609 10 0 CCAERO Cc1cc(C)cc(NC(=O)Cn2cc(C[NH3+])nn2)c1 ZINC000062271714 411688088 /nfs/dbraw/zinc/68/80/88/411688088.db2.gz PETXGSWESHCSAJ-UHFFFAOYSA-N 1 0 259.313 0.992 10 0 CCAERO CC(C)CNC(=O)[C@@H](C)n1cc(C(C)(C)[NH3+])nn1 ZINC000070118294 411690602 /nfs/dbraw/zinc/69/06/02/411690602.db2.gz GQTOWHIVBQRQLO-SECBINFHSA-N 1 0 253.350 0.805 10 0 CCAERO CC(C)C(=O)NC1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000111269074 411702219 /nfs/dbraw/zinc/70/22/19/411702219.db2.gz ISVGNKOIQLRJAE-DGCLKSJQSA-N 1 0 281.400 0.605 10 0 CCAERO CNC(=O)[C@H](C)CN(C)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000300239501 411742811 /nfs/dbraw/zinc/74/28/11/411742811.db2.gz BUQVOINBQZVVGN-VWYCJHECSA-N 1 0 255.362 0.202 10 0 CCAERO 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O=C(NC[C@@H]1CCOC1)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000038043290 174050173 /nfs/dbraw/zinc/05/01/73/174050173.db2.gz GIUUDCPXMVQISB-JSGCOSHPSA-N 1 0 281.400 0.356 10 0 CCAERO C[C@H]([NH2+]C[C@H]1CCCOC1)C(=O)N1CCOCC1 ZINC000038045766 174053829 /nfs/dbraw/zinc/05/38/29/174053829.db2.gz NPWDLTJUGCKJBP-NWDGAFQWSA-N 1 0 256.346 0.250 10 0 CCAERO CCN(CC)C(=O)[C@@H](C)[NH2+]CCCS(C)(=O)=O ZINC000038048145 174058472 /nfs/dbraw/zinc/05/84/72/174058472.db2.gz GZBQNRUVGRCVNR-SNVBAGLBSA-N 1 0 264.391 0.268 10 0 CCAERO CC(C)[NH2+]CCCC(=O)NCCCS(C)(=O)=O ZINC000038048183 174058495 /nfs/dbraw/zinc/05/84/95/174058495.db2.gz QEFOQZFKAADBTJ-UHFFFAOYSA-N 1 0 264.391 0.316 10 0 CCAERO O=S1(=O)CC[C@@H](C[NH2+][C@@H]2COc3cc(O)ccc32)C1 ZINC000038082922 174092659 /nfs/dbraw/zinc/09/26/59/174092659.db2.gz KMFVMGMMJDYPJD-JOYOIKCWSA-N 1 0 283.349 0.850 10 0 CCAERO CC[C@H](C)NC(=O)[C@H](C)[NH2+]C1CCC(C(N)=O)CC1 ZINC000038091912 174105823 /nfs/dbraw/zinc/10/58/23/174105823.db2.gz IXFZFEXSKZIWBA-JYBOHDQNSA-N 1 0 269.389 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ZINC000662852115 414841816 /nfs/dbraw/zinc/84/18/16/414841816.db2.gz HMIZKZWAIKDVCF-BBBLOLIVSA-N 1 0 280.290 0.662 10 0 CCAERO COCCC1(C(=O)N[C@@H](CO)C2CCC2)CC[NH2+]CC1 ZINC000662854725 414845697 /nfs/dbraw/zinc/84/56/97/414845697.db2.gz UOPNKYFGOBRYKE-ZDUSSCGKSA-N 1 0 284.400 0.670 10 0 CCAERO COC[C@]1(C(=O)Nc2nn(C)cc2C)CCC[NH2+]1 ZINC000662969954 414923299 /nfs/dbraw/zinc/92/32/99/414923299.db2.gz BOGOJLNIYLWVPC-LBPRGKRZSA-N 1 0 252.318 0.436 10 0 CCAERO CN(C(=O)CCNC(=O)C(C)(C)C)[C@@H](C[NH3+])C(F)(F)F ZINC000662977086 414929642 /nfs/dbraw/zinc/92/96/42/414929642.db2.gz IWBIGSBQCUTESD-QMMMGPOBSA-N 1 0 297.321 0.887 10 0 CCAERO CC(=O)N1CCC[C@@H](C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000662977018 414930288 /nfs/dbraw/zinc/93/02/88/414930288.db2.gz ICEPNINCCROLAU-ZJUUUORDSA-N 1 0 295.305 0.593 10 0 CCAERO CN(C(=O)CNC(=O)C(C)(C)C)[C@@H](C[NH3+])C(F)(F)F ZINC000662980039 414932695 /nfs/dbraw/zinc/93/26/95/414932695.db2.gz YJYABFAPXVDEQY-ZETCQYMHSA-N 1 0 283.294 0.497 10 0 CCAERO COC[C@]1(C(=O)N2CC[C@@H]3COC[C@@H]3C2)CCC[NH2+]1 ZINC000662920324 414892610 /nfs/dbraw/zinc/89/26/10/414892610.db2.gz VQOKAZLMINSIAR-DYEKYZERSA-N 1 0 268.357 0.250 10 0 CCAERO Cc1n[nH]c(C)c1S(=O)(=O)N(C)C[C@@H](C)C[NH3+] ZINC000042455418 174747370 /nfs/dbraw/zinc/74/73/70/174747370.db2.gz TZSYWKPAIXEQBU-ZETCQYMHSA-N 1 0 260.363 0.242 10 0 CCAERO CC[NH2+]C1CCN(S(=O)(=O)N(C)C(C)C)CC1 ZINC000042520178 174771306 /nfs/dbraw/zinc/77/13/06/174771306.db2.gz BWZMXUZKMSAQCN-UHFFFAOYSA-N 1 0 263.407 0.645 10 0 CCAERO CC[C@@H](C)N(CCOC)S(=O)(=O)CCCC[NH3+] ZINC000042589112 174810830 /nfs/dbraw/zinc/81/08/30/174810830.db2.gz KUTYMXFJHIPBOS-LLVKDONJSA-N 1 0 266.407 0.802 10 0 CCAERO C[NH2+]C[C@H](C)Nc1nc(C)c(S(N)(=O)=O)s1 ZINC000663278730 415033711 /nfs/dbraw/zinc/03/37/11/415033711.db2.gz LFXCMQRKOQYJIP-YFKPBYRVSA-N 1 0 264.376 0.119 10 0 CCAERO Cc1nc(NCC23CC(C2)C[NH2+]3)sc1S(N)(=O)=O ZINC000663276016 415034241 /nfs/dbraw/zinc/03/42/41/415034241.db2.gz USJMAMOZELGALJ-UHFFFAOYSA-N 1 0 288.398 0.263 10 0 CCAERO CC(C)[C@H]([NH3+])CCNc1nnnn1-c1ccccc1 ZINC000663276445 415034976 /nfs/dbraw/zinc/03/49/76/415034976.db2.gz XWBSVLLIUWLHDV-GFCCVEGCSA-N 1 0 260.345 0.870 10 0 CCAERO C[C@@H]([NH3+])[C@@H](c1cccc(F)c1)N1CCNC(=O)C1 ZINC000042970759 174933402 /nfs/dbraw/zinc/93/34/02/174933402.db2.gz GYTIWDGUKZDBGE-RNCFNFMXSA-N 1 0 251.305 0.646 10 0 CCAERO CCN[C@@](C)(CN(C)C[C@@H]1CC[N@H+](C)C1)C(=O)OC ZINC000071190974 176067857 /nfs/dbraw/zinc/06/78/57/176067857.db2.gz QJMLROGFOSJXAK-OCCSQVGLSA-N 1 0 271.405 0.411 10 0 CCAERO C[N@H+](C[C@H]1CC[NH+](C)C1)CC1(C(=O)[O-])CCOCC1 ZINC000071191542 176070253 /nfs/dbraw/zinc/07/02/53/176070253.db2.gz UUTHBDRMVSTVGO-LBPRGKRZSA-N 1 0 270.373 0.751 10 0 CCAERO C[NH+](C)C1CCN(CCCn2ccc(N)n2)CC1 ZINC000071352078 176134865 /nfs/dbraw/zinc/13/48/65/176134865.db2.gz IZLFOFBFNCWXPW-UHFFFAOYSA-N 1 0 251.378 0.881 10 0 CCAERO CCNC(=O)[C@H](C)Sc1nnc(C[NH3+])n1C(C)C ZINC000071374321 176139653 /nfs/dbraw/zinc/13/96/53/176139653.db2.gz HQKRVZBEKWPKOW-QMMMGPOBSA-N 1 0 271.390 0.934 10 0 CCAERO CCOC(=O)N1CCN(C(=O)C[C@H](CC)C[NH3+])CC1 ZINC000076711838 177068321 /nfs/dbraw/zinc/06/83/21/177068321.db2.gz SICUYQOXIZNVLM-NSHDSACASA-N 1 0 271.361 0.662 10 0 CCAERO [NH3+]CCC(=O)OCCc1ccc2c(c1)OCCO2 ZINC000077433016 177269051 /nfs/dbraw/zinc/26/90/51/177269051.db2.gz FFPOGSYBWQKJHG-UHFFFAOYSA-N 1 0 251.282 0.892 10 0 CCAERO OCCN1CCN([C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000725241178 545873225 /nfs/dbraw/zinc/87/32/25/545873225.db2.gz ATDYVNBAPGEWBY-ZIAGYGMSSA-N 1 0 253.390 0.223 10 0 CCAERO CC(C)C[NH2+]CCCn1cc(S(C)(=O)=O)cn1 ZINC000725252270 545877505 /nfs/dbraw/zinc/87/75/05/545877505.db2.gz LIWSQQQMWMETQX-UHFFFAOYSA-N 1 0 259.375 0.922 10 0 CCAERO CC[NH2+][C@@H]1CCC[C@@H]1n1cc(S(C)(=O)=O)cn1 ZINC000725252956 545878080 /nfs/dbraw/zinc/87/80/80/545878080.db2.gz PYFCXZWIRKPVJT-MNOVXSKESA-N 1 0 257.359 0.990 10 0 CCAERO CC[C@@H](C)[C@@H](Cn1cc(S(C)(=O)=O)cn1)[NH2+]C ZINC000725252896 545878721 /nfs/dbraw/zinc/87/87/21/545878721.db2.gz PKLQMXPYKWTLME-MWLCHTKSSA-N 1 0 259.375 0.921 10 0 CCAERO CCC[NH2+][C@H](CCO)Cn1cc(S(C)(=O)=O)cn1 ZINC000725253205 545878744 /nfs/dbraw/zinc/87/87/44/545878744.db2.gz RFDWVOJFZRWOFZ-SNVBAGLBSA-N 1 0 275.374 0.037 10 0 CCAERO CC[C@@](C)(O)C[N@@H+]1CCN(C)[C@H](c2nc(C)no2)C1 ZINC000408035908 287393752 /nfs/dbraw/zinc/39/37/52/287393752.db2.gz NOVPAUXFLBWHTR-WCQYABFASA-N 1 0 268.361 0.828 10 0 CCAERO O=S(=O)(N[C@@H]1CC[NH2+]CC[C@H]1C(F)(F)F)C1CC1 ZINC000725262715 545882341 /nfs/dbraw/zinc/88/23/41/545882341.db2.gz MTDBIGCCINMTIZ-RKDXNWHRSA-N 1 0 286.319 0.999 10 0 CCAERO N[C@@H](CCNc1ccnn1C1C[NH2+]C1)C(F)(F)F ZINC000725258316 545882492 /nfs/dbraw/zinc/88/24/92/545882492.db2.gz ODZORAAXFVAWJB-QMMMGPOBSA-N 1 0 263.267 0.719 10 0 CCAERO CC[C@H](C(N)=S)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258309 545882562 /nfs/dbraw/zinc/88/25/62/545882562.db2.gz NXPRYWKAERJLJU-MRVPVSSYSA-N 1 0 267.358 0.278 10 0 CCAERO O=S1(=O)CCc2[nH]nc(C3=CC[NH2+]CC3)c2C1 ZINC000725265612 545885706 /nfs/dbraw/zinc/88/57/06/545885706.db2.gz NFCOGEKIVXDFHJ-UHFFFAOYSA-N 1 0 253.327 0.257 10 0 CCAERO CCCCS(=O)(=O)N1C[C@@H](C)OC2(CC[NH2+]CC2)C1 ZINC000725271340 545888470 /nfs/dbraw/zinc/88/84/70/545888470.db2.gz DHCFXIUWOAWZKB-GFCCVEGCSA-N 1 0 290.429 0.959 10 0 CCAERO C[NH2+][C@H](C)C(=O)N(CCC(N)=O)Cc1ccccc1 ZINC000054074863 544442332 /nfs/dbraw/zinc/44/23/32/544442332.db2.gz XZUPFUYDQLJZJK-LLVKDONJSA-N 1 0 263.341 0.499 10 0 CCAERO NC(=O)[C@@]([NH3+])(Cn1cc(Br)cn1)C1CC1 ZINC000068943251 544449160 /nfs/dbraw/zinc/44/91/60/544449160.db2.gz PGDJLBJWDOSDGT-SECBINFHSA-N 1 0 273.134 0.238 10 0 CCAERO C[C@H](NC(=O)CCCC[NH3+])c1ccc(S(N)(=O)=O)cc1 ZINC000070201863 544449981 /nfs/dbraw/zinc/44/99/81/544449981.db2.gz DNIADODMRXWKCA-JTQLQIEISA-N 1 0 299.396 0.640 10 0 CCAERO C[C@]1(C(=O)N2CC[C@H](N3CCOCC3)C2)CCC[NH2+]1 ZINC000079521464 544473429 /nfs/dbraw/zinc/47/34/29/544473429.db2.gz HEQRNWATEBLJEW-GXTWGEPZSA-N 1 0 267.373 0.062 10 0 CCAERO CC1(CNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)COC1 ZINC000094722376 544547414 /nfs/dbraw/zinc/54/74/14/544547414.db2.gz LUNZUBACHHPBNZ-JTQLQIEISA-N 1 0 266.263 0.681 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000089455325 544512835 /nfs/dbraw/zinc/51/28/35/544512835.db2.gz ZQTUTGCBQODRMA-SOUVJXGZSA-N 1 0 295.427 0.685 10 0 CCAERO CCC(=O)N1CCCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089458386 544515100 /nfs/dbraw/zinc/51/51/00/544515100.db2.gz JKWZWKDXBMQMOW-OLZOCXBDSA-N 1 0 281.400 0.832 10 0 CCAERO CC1(OCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C[NH2+]C1 ZINC000098061136 544554442 /nfs/dbraw/zinc/55/44/42/544554442.db2.gz KUDZFVFGPBJABL-NWDGAFQWSA-N 1 0 268.357 0.535 10 0 CCAERO CO[C@H]1CN(CC(=O)Nc2cc(C)on2)[C@@](C)(C[NH3+])C1 ZINC000630362102 419463253 /nfs/dbraw/zinc/46/32/53/419463253.db2.gz NZSHWPBCMPGNAB-ZWNOBZJWSA-N 1 0 282.344 0.360 10 0 CCAERO COC(=O)c1ccc(NCC(=O)N2CC[NH2+]CC2)nc1C ZINC000147670293 544646155 /nfs/dbraw/zinc/64/61/55/544646155.db2.gz QPBZEJZFRNAHDP-UHFFFAOYSA-N 1 0 292.339 0.020 10 0 CCAERO COC(=O)c1ccc(N2CCO[C@H]([C@@H](C)[NH3+])C2)nc1C ZINC000147701153 544647593 /nfs/dbraw/zinc/64/75/93/544647593.db2.gz GSWZTWPXURMGJN-SKDRFNHKSA-N 1 0 279.340 0.729 10 0 CCAERO C[C@H]([NH3+])[C@H]1CN(c2nnnn2-c2ccccc2)CCO1 ZINC000156562473 544678832 /nfs/dbraw/zinc/67/88/32/544678832.db2.gz RTISDBPOTQCHPM-CMPLNLGQSA-N 1 0 274.328 0.215 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)N(C)Cc1nnc2n1CCC2 ZINC000136399071 544639136 /nfs/dbraw/zinc/63/91/36/544639136.db2.gz HRQBZQGVZMDCMJ-SNVBAGLBSA-N 1 0 265.361 0.556 10 0 CCAERO CCN(C[C@@H]1CCOC1)C(=O)C1(C[NH3+])CCOCC1 ZINC000138167574 544642234 /nfs/dbraw/zinc/64/22/34/544642234.db2.gz DGYDJQZWADZARG-LBPRGKRZSA-N 1 0 270.373 0.627 10 0 CCAERO CCCC[N@H+](CCCO)C[C@@H](O)CN1CCCC1=O ZINC000182144515 544760039 /nfs/dbraw/zinc/76/00/39/544760039.db2.gz KGLUGWQRMCZZRF-CYBMUJFWSA-N 1 0 272.389 0.454 10 0 CCAERO CNC(=O)[C@H]([NH2+]Cc1cc(=O)n2ccccc2n1)C(C)C ZINC000183652810 544769373 /nfs/dbraw/zinc/76/93/73/544769373.db2.gz RYYLESMZIYVPBH-CQSZACIVSA-N 1 0 288.351 0.555 10 0 CCAERO Cc1noc(CCNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000227425481 544834505 /nfs/dbraw/zinc/83/45/05/544834505.db2.gz IEIWQTOEBOJDKG-NXEZZACHSA-N 1 0 252.318 0.412 10 0 CCAERO CCn1cnnc1CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000227432525 544834908 /nfs/dbraw/zinc/83/49/08/544834908.db2.gz UTKYGYRBPKDOHL-NXEZZACHSA-N 1 0 251.334 0.289 10 0 CCAERO C[C@@H]1CCC[C@](CNC(=O)[C@@H]2CNC(=O)C2)([NH+](C)C)C1 ZINC000223994277 544825543 /nfs/dbraw/zinc/82/55/43/544825543.db2.gz RZKCQZACSSZRBB-XUJVJEKNSA-N 1 0 281.400 0.749 10 0 CCAERO CCCCOC[C@@H](O)Cn1cc(C(C)(C)[NH3+])nn1 ZINC000227913600 544838980 /nfs/dbraw/zinc/83/89/80/544838980.db2.gz GWQISSDUGUMHBG-JTQLQIEISA-N 1 0 256.350 0.650 10 0 CCAERO CC(C)[C@@H](NC(=O)[C@@H]1C[NH2+]Cc2ccccc21)C(N)=O ZINC000231045295 544859113 /nfs/dbraw/zinc/85/91/13/544859113.db2.gz BLQSLSXWTVFFJX-CHWSQXEVSA-N 1 0 275.352 0.500 10 0 CCAERO Cc1cnc([C@H](C)NC(=O)COC2(C)C[NH2+]C2)o1 ZINC000231743511 544860282 /nfs/dbraw/zinc/86/02/82/544860282.db2.gz OMELGACKBDYYFO-VIFPVBQESA-N 1 0 253.302 0.539 10 0 CCAERO C[C@@H]1CN(Cc2nc(-c3ccccn3)no2)C[C@@H]1[NH3+] ZINC000235407444 544874455 /nfs/dbraw/zinc/87/44/55/544874455.db2.gz OYKOYVXQDFYKMQ-ZJUUUORDSA-N 1 0 259.313 0.911 10 0 CCAERO C[C@H](NC(=O)[C@@H]1CCC[C@H]1C[NH3+])c1nnc2n1CCC2 ZINC000251281885 544925965 /nfs/dbraw/zinc/92/59/65/544925965.db2.gz RMNNITVSDCJIOX-GARJFASQSA-N 1 0 277.372 0.777 10 0 CCAERO C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000251574326 544927470 /nfs/dbraw/zinc/92/74/70/544927470.db2.gz BUFJDSSPRVMSJO-RHYQMDGZSA-N 1 0 267.373 0.474 10 0 CCAERO O=C(CC[C@@H]1CCC[NH2+]1)N1CC[C@H](N2CCOCC2)C1 ZINC000261856050 544936752 /nfs/dbraw/zinc/93/67/52/544936752.db2.gz XFNHDHCCSQOYSV-KBPBESRZSA-N 1 0 281.400 0.452 10 0 CCAERO O=C(CCc1ccsc1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262069920 544937453 /nfs/dbraw/zinc/93/74/53/544937453.db2.gz BMZNXRIYVWFGIK-WDEREUQCSA-N 1 0 254.355 0.377 10 0 CCAERO CCOc1ccccc1CNC[C@@H]1C[NH2+]C[C@H]1O ZINC000262127966 544940607 /nfs/dbraw/zinc/94/06/07/544940607.db2.gz NIVKAGINWVEMHD-CHWSQXEVSA-N 1 0 250.342 0.755 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(F)c(F)c1F ZINC000262144366 544942145 /nfs/dbraw/zinc/94/21/45/544942145.db2.gz HJDKGNYYHJAXOU-RCOVLWMOSA-N 1 0 274.242 0.414 10 0 CCAERO CC[C@H](Oc1ccccc1C)C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262308833 544942705 /nfs/dbraw/zinc/94/27/05/544942705.db2.gz QGEXNNYQPTYEHC-MJBXVCDLSA-N 1 0 292.379 0.849 10 0 CCAERO C[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000299905251 544978365 /nfs/dbraw/zinc/97/83/65/544978365.db2.gz MAKPTLXFQFQVSL-VWYCJHECSA-N 1 0 274.386 0.007 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NC[C@@H]1CCc2nccn2C1 ZINC000333842520 545043728 /nfs/dbraw/zinc/04/37/28/545043728.db2.gz ONRCNYXPUCODSZ-RWMBFGLXSA-N 1 0 291.399 0.885 10 0 CCAERO CC(C)(C)[C@H](O)C[NH2+]CC(C)(C)NS(C)(=O)=O ZINC000310148154 545010419 /nfs/dbraw/zinc/01/04/19/545010419.db2.gz HFBONXUADGIOGE-SECBINFHSA-N 1 0 266.407 0.311 10 0 CCAERO NC(=O)[C@@]1(O)CCC[N@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000312362022 545013347 /nfs/dbraw/zinc/01/33/47/545013347.db2.gz ZJNNVTHWWQKCAA-SWLSCSKDSA-N 1 0 282.384 0.790 10 0 CCAERO COC1(C(=O)NC[C@@H](O)C(C)(C)C)CC[NH2+]CC1 ZINC000324469553 545016979 /nfs/dbraw/zinc/01/69/79/545016979.db2.gz AOABYUHJRFXPSA-SNVBAGLBSA-N 1 0 258.362 0.278 10 0 CCAERO CC(C)n1[nH]cnc1=NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000333597674 545040631 /nfs/dbraw/zinc/04/06/31/545040631.db2.gz PGTZPGQMQFRYRV-RYUDHWBXSA-N 1 0 292.387 0.981 10 0 CCAERO CC[C@H](O)C[NH+]1CCN(Cc2nc([C@@H](C)OC)no2)CC1 ZINC000175275584 261218207 /nfs/dbraw/zinc/21/82/07/261218207.db2.gz HNTKEGLAGUENHK-NEPJUHHUSA-N 1 0 298.387 0.666 10 0 CCAERO Cc1cc(C)n(-c2nc(C)cc(N3CC[NH2+]CC3)n2)n1 ZINC000045947231 274692145 /nfs/dbraw/zinc/69/21/45/274692145.db2.gz FSFLSNYOFQWNQD-UHFFFAOYSA-N 1 0 272.356 0.997 10 0 CCAERO CC(C)(CNC(=O)N1CCNC(=O)CC1)[NH+]1CCCCC1 ZINC000105081534 275548655 /nfs/dbraw/zinc/54/86/55/275548655.db2.gz RQHMOBGUHILZJN-UHFFFAOYSA-N 1 0 296.415 0.782 10 0 CCAERO CC[N@H+](CC(=O)N1CC[C@@H](N2CCOCC2)C1)C1CC1 ZINC000153047596 276081729 /nfs/dbraw/zinc/08/17/29/276081729.db2.gz HWVUEJBZYXMPDF-CQSZACIVSA-N 1 0 281.400 0.404 10 0 CCAERO CC1(C)CN(C(=O)[C@H]2CCNCC2(F)F)CC[C@@H]1[NH3+] ZINC000336509658 276126593 /nfs/dbraw/zinc/12/65/93/276126593.db2.gz BCOQJPDIXMDHBD-ZJUUUORDSA-N 1 0 275.343 0.817 10 0 CCAERO CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H](O)C2(CC2)C1 ZINC000336566495 276158831 /nfs/dbraw/zinc/15/88/31/276158831.db2.gz QBBAUFDYLJAGMR-RYUDHWBXSA-N 1 0 252.358 0.844 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)CCC(=O)N1CCOCC1 ZINC000175340273 276169481 /nfs/dbraw/zinc/16/94/81/276169481.db2.gz YBSLGHGIOGTWOK-CQSZACIVSA-N 1 0 283.416 0.651 10 0 CCAERO CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246444092 276265405 /nfs/dbraw/zinc/26/54/05/276265405.db2.gz MHTGSEFGEYKICB-HZSPNIEDSA-N 1 0 283.416 0.554 10 0 CCAERO CC[NH+](CC)CCCNC(=O)[C@H]1CCc2n[nH]nc2C1 ZINC000170240693 276325641 /nfs/dbraw/zinc/32/56/41/276325641.db2.gz MUDCNFHTHKBUIF-NSHDSACASA-N 1 0 279.388 0.758 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1OC[C@H]2COCC[C@H]21 ZINC000332875298 276372657 /nfs/dbraw/zinc/37/26/57/276372657.db2.gz WGGYWADVNWLSFC-AAVRWANBSA-N 1 0 282.384 0.638 10 0 CCAERO CC[N@@H+]1CC[C@@H](NC(=O)N2CCc3cc[nH]c(=O)c3C2)C1 ZINC000334127154 276395393 /nfs/dbraw/zinc/39/53/93/276395393.db2.gz QGZOYTOHHRTIFE-GFCCVEGCSA-N 1 0 290.367 0.949 10 0 CCAERO CC[N@@H+]1CC[C@@H](NS(=O)(=O)N2CCCCCC2)C1 ZINC000329658310 276396285 /nfs/dbraw/zinc/39/62/85/276396285.db2.gz NICRAXYAZULJAG-GFCCVEGCSA-N 1 0 275.418 0.791 10 0 CCAERO CN(C(=O)N[C@@H]1CCc2ccccc2C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333712228 276729331 /nfs/dbraw/zinc/72/93/31/276729331.db2.gz FNNJFGIJLVSLLJ-ILXRZTDVSA-N 1 0 289.379 0.518 10 0 CCAERO C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H]2CCCn3ncnc32)C1 ZINC000176607589 276780010 /nfs/dbraw/zinc/78/00/10/276780010.db2.gz BNMCGGYOKZSWCP-NEPJUHHUSA-N 1 0 292.387 0.849 10 0 CCAERO CNC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000093886127 277003004 /nfs/dbraw/zinc/00/30/04/277003004.db2.gz PJXLCNIRRPNSHY-LBPRGKRZSA-N 1 0 254.378 0.428 10 0 CCAERO CC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCCCNC2=O)C1 ZINC000245925962 277058350 /nfs/dbraw/zinc/05/83/50/277058350.db2.gz UBQKMIYBBIYERP-RYUDHWBXSA-N 1 0 253.346 0.256 10 0 CCAERO CN1C[C@H](NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CCC1=O ZINC000162918641 277203207 /nfs/dbraw/zinc/20/32/07/277203207.db2.gz MRTFMCWWBKJQJC-CHWSQXEVSA-N 1 0 294.399 0.487 10 0 CCAERO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000247087740 277236568 /nfs/dbraw/zinc/23/65/68/277236568.db2.gz PPPBERVJVPPCOS-PWSUYJOCSA-N 1 0 293.371 0.500 10 0 CCAERO COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCCNC1=O)CO2 ZINC000333810000 277966902 /nfs/dbraw/zinc/96/69/02/277966902.db2.gz HUIUGOFRPUFECO-WCQYABFASA-N 1 0 276.336 0.867 10 0 CCAERO C[C@H]([NH2+]C[C@H](O)CN1CCCCC1)[C@H]1CCCO1 ZINC000336791730 278263430 /nfs/dbraw/zinc/26/34/30/278263430.db2.gz OSSUTNALBVGFOS-MELADBBJSA-N 1 0 256.390 0.990 10 0 CCAERO CC1(C)CN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC[C@@H]1O ZINC000333757642 278304355 /nfs/dbraw/zinc/30/43/55/278304355.db2.gz ACIMOCMYACJAHL-NEPJUHHUSA-N 1 0 269.389 0.931 10 0 CCAERO CC1(C)CN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC[C@H]1O ZINC000333758124 278304369 /nfs/dbraw/zinc/30/43/69/278304369.db2.gz ACIMOCMYACJAHL-VXGBXAGGSA-N 1 0 269.389 0.931 10 0 CCAERO C[C@H]1CCN(CC(=O)NCC(F)(F)F)[C@H](C[NH3+])C1 ZINC000111679729 278366871 /nfs/dbraw/zinc/36/68/71/278366871.db2.gz PDJCUGKSDUSHAL-IUCAKERBSA-N 1 0 267.295 0.724 10 0 CCAERO C[C@@H]1C[C@@H](C(=O)N(C)CC[NH+]2CCCC2)CC(=O)N1 ZINC000408200858 278874652 /nfs/dbraw/zinc/87/46/52/278874652.db2.gz CINPUWOHUHDULE-VXGBXAGGSA-N 1 0 267.373 0.455 10 0 CCAERO C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000246830888 279182603 /nfs/dbraw/zinc/18/26/03/279182603.db2.gz CLEWDRNVTPZWKW-GHMZBOCLSA-N 1 0 250.346 0.686 10 0 CCAERO CC(C)N(C)S(=O)(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248607185 279392160 /nfs/dbraw/zinc/39/21/60/279392160.db2.gz KDCSSEPBWMFZFF-GARJFASQSA-N 1 0 261.391 0.241 10 0 CCAERO CC(C)N(C)S(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247154240 279392282 /nfs/dbraw/zinc/39/22/82/279392282.db2.gz KEQYQRKCSKISLP-NEPJUHHUSA-N 1 0 275.418 0.740 10 0 CCAERO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1CCCCC(=O)N1 ZINC000332918115 288130684 /nfs/dbraw/zinc/13/06/84/288130684.db2.gz ZNGDBCAKTLKDMH-KGYLQXTDSA-N 1 0 279.384 0.644 10 0 CCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cnn(-c2ccccc2)n1 ZINC000261868734 280114129 /nfs/dbraw/zinc/11/41/29/280114129.db2.gz YQPCGURLNSKMEV-CMPLNLGQSA-N 1 0 271.324 0.829 10 0 CCAERO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N[C@@H]1CCC(=O)NC1 ZINC000262988718 280165245 /nfs/dbraw/zinc/16/52/45/280165245.db2.gz NLWJRPHGPKXZGD-BREBYQMCSA-N 1 0 253.346 0.289 10 0 CCAERO C[C@@H]1CN(S(=O)(=O)N2CC[C@](C)(C[NH3+])C2)[C@H](C)CO1 ZINC000261762094 288234913 /nfs/dbraw/zinc/23/49/13/288234913.db2.gz LUZVGNUDTAPRNE-IJLUTSLNSA-N 1 0 291.417 0.011 10 0 CCAERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)NCC(=O)N(C)C ZINC000335403231 288296511 /nfs/dbraw/zinc/29/65/11/288296511.db2.gz FCLKDSFANJWHHE-NEPJUHHUSA-N 1 0 282.388 0.343 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC[S@](C)=O ZINC000179167033 288301406 /nfs/dbraw/zinc/30/14/06/288301406.db2.gz KYVHYYWUFFSMLZ-AGKHESDQSA-N 1 0 258.387 0.450 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CCC(=O)NC1 ZINC000252674517 288304287 /nfs/dbraw/zinc/30/42/87/288304287.db2.gz RTSNAHFCSOFGSS-GRYCIOLGSA-N 1 0 265.357 0.208 10 0 CCAERO CC1(C)CN([C@H]2CCN(C3CCOCC3)C2=O)CC[C@H]1[NH3+] ZINC000261638876 281264928 /nfs/dbraw/zinc/26/49/28/281264928.db2.gz DJNLMHAWCBBXNN-UONOGXRCSA-N 1 0 295.427 0.826 10 0 CCAERO CC1(C)COC[C@H]1NC(=O)N1CCCC[C@H]1C[NH3+] ZINC000334965394 281293173 /nfs/dbraw/zinc/29/31/73/281293173.db2.gz BIDVWEDHEKIMNE-WDEREUQCSA-N 1 0 255.362 0.934 10 0 CCAERO C[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000333291935 288317791 /nfs/dbraw/zinc/31/77/91/288317791.db2.gz HWVFXCWDIMPKDX-MWLCHTKSSA-N 1 0 263.345 0.790 10 0 CCAERO C[C@@H]1C[NH2+]CCN1C1=NS(=O)(=O)c2ccccc21 ZINC000054374824 288319087 /nfs/dbraw/zinc/31/90/87/288319087.db2.gz SHRUBQYWMPJHJO-SECBINFHSA-N 1 0 265.338 0.429 10 0 CCAERO C[C@@H]1C[C@H](O)CN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000333881429 288772712 /nfs/dbraw/zinc/77/27/12/288772712.db2.gz DPIOBOSQZBEAIJ-RGDJUOJXSA-N 1 0 281.400 0.787 10 0 CCAERO CN(C(=O)NC[C@H]1CCCC1(C)C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333794512 288844166 /nfs/dbraw/zinc/84/41/66/288844166.db2.gz MZOIGBQOAOIYFA-WOPDTQHZSA-N 1 0 269.389 0.787 10 0 CCAERO CN(C(=O)N[C@H]1C[C@H]1c1ccccc1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333787366 288870983 /nfs/dbraw/zinc/87/09/83/288870983.db2.gz LXMYCNGIUJRMMW-XUXIUFHCSA-N 1 0 275.352 0.517 10 0 CCAERO CN(CC(F)(F)F)C(=O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000107304921 289201798 /nfs/dbraw/zinc/20/17/98/289201798.db2.gz PEZWZIKPIURQFS-SNVBAGLBSA-N 1 0 297.321 0.270 10 0 CCAERO C[NH+](C)C[C@H]1CCN(C(=O)[C@]2(C)CCCNC2=O)C1 ZINC000408370285 289213805 /nfs/dbraw/zinc/21/38/05/289213805.db2.gz IYSLAMFJIORTJQ-BXUZGUMPSA-N 1 0 267.373 0.313 10 0 CCAERO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC000194003336 289293505 /nfs/dbraw/zinc/29/35/05/289293505.db2.gz RWELWNWUEOHAMV-NEPJUHHUSA-N 1 0 267.373 0.598 10 0 CCAERO CS(=O)(=O)CCC(=O)N1C[C@@H]2C[C@H]([NH3+])CC[C@@H]2C1 ZINC000038008300 295491990 /nfs/dbraw/zinc/49/19/90/295491990.db2.gz QWIGBQCLQXEWRD-OUAUKWLOSA-N 1 0 274.386 0.007 10 0 CCAERO C[C@@H]1COC[C@@H](C)N1C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188609292 297147266 /nfs/dbraw/zinc/14/72/66/297147266.db2.gz MCAGNZBQNGCYFA-RKDXNWHRSA-N 1 0 264.329 0.305 10 0 CCAERO C[C@H](NC(=O)CC1([NH3+])CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000398152432 545088866 /nfs/dbraw/zinc/08/88/66/545088866.db2.gz GZVHSRRBGPEYKZ-VIFPVBQESA-N 1 0 297.380 0.393 10 0 CCAERO C[C@H](CC(=O)N(C)C)[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000312054597 298281573 /nfs/dbraw/zinc/28/15/73/298281573.db2.gz DQRRKUJEAHLCNX-YRGRVCCFSA-N 1 0 270.373 0.781 10 0 CCAERO C[C@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000261974708 300490953 /nfs/dbraw/zinc/49/09/53/300490953.db2.gz BTDUQEGVLYRQJQ-WDEREUQCSA-N 1 0 298.412 0.577 10 0 CCAERO C[S@](=O)C1(C[NH2+]C[C@@H](O)COCc2ccco2)CC1 ZINC000380220571 327613165 /nfs/dbraw/zinc/61/31/65/327613165.db2.gz WIPQIXGEGZEZLU-WYRIXSBYSA-N 1 0 287.381 0.658 10 0 CCAERO O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188961250 327762772 /nfs/dbraw/zinc/76/27/72/327762772.db2.gz CZASZCPNZOEDNG-SQNXGDPESA-N 1 0 264.300 0.461 10 0 CCAERO CCn1cc(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)nn1 ZINC000404468945 545091476 /nfs/dbraw/zinc/09/14/76/545091476.db2.gz WHCWRGXHCYXHDC-VHSXEESVSA-N 1 0 251.334 0.432 10 0 CCAERO CCn1cc(CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])nn1 ZINC000404468397 545091523 /nfs/dbraw/zinc/09/15/23/545091523.db2.gz VSCCGVGMSXYBHL-KOLCDFICSA-N 1 0 251.334 0.289 10 0 CCAERO CCn1cc(CNC(=O)[C@]2(C)CCCC[NH2+]2)nn1 ZINC000404469497 545091563 /nfs/dbraw/zinc/09/15/63/545091563.db2.gz WPLKQEAFQYNIEP-LBPRGKRZSA-N 1 0 251.334 0.446 10 0 CCAERO CN(C)S(=O)(=O)c1ccc(C[NH2+]CC(C)(C)O)cc1 ZINC000388870598 328582221 /nfs/dbraw/zinc/58/22/21/328582221.db2.gz HHUVRINAGKJXJS-UHFFFAOYSA-N 1 0 286.397 0.797 10 0 CCAERO O=C(CNC(=O)C[C@@H]1CCC[NH2+]C1)NCC1CC1 ZINC000393030506 329066155 /nfs/dbraw/zinc/06/61/55/329066155.db2.gz QIKSLRNXSDQJKX-NSHDSACASA-N 1 0 253.346 0.019 10 0 CCAERO CS(=O)(=O)N1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000577768421 335399704 /nfs/dbraw/zinc/39/97/04/335399704.db2.gz BETJOCRFOKADTD-IJLUTSLNSA-N 1 0 276.402 0.161 10 0 CCAERO CCC[C@H](C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1)[NH+](C)C ZINC000180670360 335616434 /nfs/dbraw/zinc/61/64/34/335616434.db2.gz JPWAXYKAASTVAZ-JHJVBQTASA-N 1 0 299.415 0.469 10 0 CCAERO Cc1nc(C)c(C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)o1 ZINC000578435033 335633710 /nfs/dbraw/zinc/63/37/10/335633710.db2.gz HSJHULCAFQWKGU-VHSXEESVSA-N 1 0 251.286 0.104 10 0 CCAERO CCCCOC[C@@H](O)C[NH2+]C[C@@H]1CCCCS1(=O)=O ZINC000578437227 335633900 /nfs/dbraw/zinc/63/39/00/335633900.db2.gz WQWGVMQTUXHOTA-STQMWFEESA-N 1 0 293.429 0.721 10 0 CCAERO CN1CCN(c2ccc(OC(F)F)cn2)[C@H](C[NH3+])C1 ZINC000380943970 336040332 /nfs/dbraw/zinc/04/03/32/336040332.db2.gz RPAVGQHKAFBLDY-SECBINFHSA-N 1 0 272.299 0.762 10 0 CCAERO [NH3+][C@@H]1CCC[C@@H](Nc2nnnn2-c2ccccc2)C1 ZINC000382435844 336089495 /nfs/dbraw/zinc/08/94/95/336089495.db2.gz VOKCFAJTZIYKIA-GHMZBOCLSA-N 1 0 258.329 0.766 10 0 CCAERO C[C@@H](C[NH3+])N(C)c1ccc2nnc(C(F)(F)F)n2n1 ZINC000382973008 336100385 /nfs/dbraw/zinc/10/03/85/336100385.db2.gz GGQGVTJUJAFCMT-LURJTMIESA-N 1 0 274.250 0.927 10 0 CCAERO Cc1cc(N[C@H](CC[NH3+])C(F)F)n2ncnc2n1 ZINC000383454305 336109442 /nfs/dbraw/zinc/10/94/42/336109442.db2.gz MZFBMEOGCMLZIL-SSDOTTSWSA-N 1 0 256.260 0.827 10 0 CCAERO C[C@@H]1C[C@H]([NH2+]C[C@H](O)CN2CCCCC2)[C@@H](C)O1 ZINC000385150111 336141009 /nfs/dbraw/zinc/14/10/09/336141009.db2.gz MZHOVOAYBUCQQH-MQYQWHSLSA-N 1 0 256.390 0.989 10 0 CCAERO CCOC(=O)CC[C@@H](O)C[NH2+]CCn1cc(C)cn1 ZINC000385625131 336153032 /nfs/dbraw/zinc/15/30/32/336153032.db2.gz FSJBIZKRMVXMOY-GFCCVEGCSA-N 1 0 269.345 0.485 10 0 CCAERO CCCN[C@@H](CC[N@@H+]1CCCOCC1)C(=O)OC ZINC000062533435 519998321 /nfs/dbraw/zinc/99/83/21/519998321.db2.gz FQNNRDMVTHMMII-LBPRGKRZSA-N 1 0 258.362 0.640 10 0 CCAERO CCN[C@@H](CCN(C)[C@@H]1CCC[N@H+](C)C1)C(=O)OC ZINC000062531798 520086704 /nfs/dbraw/zinc/08/67/04/520086704.db2.gz ZNTANQBLNHAMSZ-OLZOCXBDSA-N 1 0 271.405 0.554 10 0 CCAERO C[C@H](NC(=O)c1cccs1)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423939838 533765027 /nfs/dbraw/zinc/76/50/27/533765027.db2.gz BDDDNZFCDBGWCF-KXUCPTDWSA-N 1 0 281.381 0.672 10 0 CCAERO C[NH2+][C@@H](CCOc1ccc(CCOC)cc1)C(N)=O ZINC000062594530 522349493 /nfs/dbraw/zinc/34/94/93/522349493.db2.gz XSSPRAQFYDQDAJ-ZDUSSCGKSA-N 1 0 266.341 0.718 10 0 CCAERO CC(C)(C)OC[C@H](O)C[NH2+][C@@H]1CCN2CCC[C@H]12 ZINC000049567905 518881614 /nfs/dbraw/zinc/88/16/14/518881614.db2.gz VOBNQAVXWSFIQD-JHJVBQTASA-N 1 0 256.390 0.989 10 0 CCAERO CC(C)[C@H]([NH3+])C(=O)NC[C@H](CO)c1ccccc1 ZINC000182437412 519817445 /nfs/dbraw/zinc/81/74/45/519817445.db2.gz OLLQSTDYONMCDY-OLZOCXBDSA-N 1 0 250.342 0.862 10 0 CCAERO CCC[NH+]1CCN(CC[C@H](NC)C(=O)OC)CC1 ZINC000062439642 519858499 /nfs/dbraw/zinc/85/84/99/519858499.db2.gz KQYLUSDGFQREOI-LBPRGKRZSA-N 1 0 257.378 0.165 10 0 CCAERO CCOCCO[C@H]1CCN(C(=O)[C@H]([NH3+])CCSC)C1 ZINC000157936851 520031803 /nfs/dbraw/zinc/03/18/03/520031803.db2.gz FIJIXAIUPGYIJM-NWDGAFQWSA-N 1 0 290.429 0.721 10 0 CCAERO CCN(CC)C(=O)CS(=O)(=O)C[C@H]1CCC[NH2+]C1 ZINC000058259201 520492940 /nfs/dbraw/zinc/49/29/40/520492940.db2.gz WPOFAIYUBUCIOB-NSHDSACASA-N 1 0 276.402 0.269 10 0 CCAERO CCC[C@@]1(C(=O)NCC(=O)NC2CC2)CC[NH2+]C1 ZINC000062890611 520942922 /nfs/dbraw/zinc/94/29/22/520942922.db2.gz POWDEZGHRFNPGF-CYBMUJFWSA-N 1 0 253.346 0.161 10 0 CCAERO CCN([C@H]1CS(=O)(=O)C[C@@H]1[NH3+])C1CCCCC1 ZINC000054492844 521476424 /nfs/dbraw/zinc/47/64/24/521476424.db2.gz WVJJWFYYFMLSPD-RYUDHWBXSA-N 1 0 260.403 0.765 10 0 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258.362 0.638 10 0 CCAERO CN(Cc1cccnc1)S(=O)(=O)C1CC[NH2+]CC1 ZINC000049643644 523418996 /nfs/dbraw/zinc/41/89/96/523418996.db2.gz UITLBWBQJPVCJO-UHFFFAOYSA-N 1 0 269.370 0.595 10 0 CCAERO CN([C@H]1CCSC1)S(=O)(=O)C[C@@H]1CCC[NH2+]C1 ZINC000049643046 523629261 /nfs/dbraw/zinc/62/92/61/523629261.db2.gz RZSITXGWGKLFRT-MNOVXSKESA-N 1 0 278.443 0.753 10 0 CCAERO CC[C@@]1(C(=O)N(CCOC)CCOC)CCC[NH2+]C1 ZINC000062854297 523690895 /nfs/dbraw/zinc/69/08/95/523690895.db2.gz XWAJYGWWMJHFRW-CQSZACIVSA-N 1 0 272.389 0.888 10 0 CCAERO COCC[N@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)[O-] ZINC000049607612 523727552 /nfs/dbraw/zinc/72/75/52/523727552.db2.gz NZVVILNUPDMDGC-LBPRGKRZSA-N 1 0 258.362 0.894 10 0 CCAERO CCc1cc(=O)[nH]c(CN2CCC[N@@H+]([C@H](C)CO)CC2)n1 ZINC000364953134 523833267 /nfs/dbraw/zinc/83/32/67/523833267.db2.gz DYOLKHMKJUHINY-GFCCVEGCSA-N 1 0 294.399 0.633 10 0 CCAERO COCCNC(=O)COc1cccc(CC[NH3+])c1 ZINC000049279129 523898202 /nfs/dbraw/zinc/89/82/02/523898202.db2.gz GXHJOWNNAVLZLR-UHFFFAOYSA-N 1 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O=S1(=O)CCN(C[C@@H]2CC[C@H](C[NH2+]C3CC3)O2)CC1 ZINC000052480382 527307014 /nfs/dbraw/zinc/30/70/14/527307014.db2.gz PIQUUUXMCAZFIS-OLZOCXBDSA-N 1 0 288.413 0.016 10 0 CCAERO O=S1(=O)C[C@H](O)[C@H]([NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000052396202 527315651 /nfs/dbraw/zinc/31/56/51/527315651.db2.gz OHKRHNAIZCYAQZ-MCIONIFRSA-N 1 0 281.377 0.291 10 0 CCAERO Cc1nccc(C[NH2+][C@@H](C)CN2CCOCC2)n1 ZINC000054790258 527337180 /nfs/dbraw/zinc/33/71/80/527337180.db2.gz QJISIMYJVNZWKL-NSHDSACASA-N 1 0 250.346 0.595 10 0 CCAERO CC(C)(C[NH2+][C@@H]1CO[C@H](C2CC2)C1)NS(C)(=O)=O ZINC000667836945 545157490 /nfs/dbraw/zinc/15/74/90/545157490.db2.gz CBPQUPGVQXOVRR-QWRGUYRKSA-N 1 0 276.402 0.471 10 0 CCAERO Nc1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](O)C2)c1 ZINC000061709702 527519892 /nfs/dbraw/zinc/51/98/92/527519892.db2.gz UIZQBJWTMGTRRN-RYUDHWBXSA-N 1 0 252.314 0.075 10 0 CCAERO CC(C)n1cc(C[N@@H+]2CC[C@@](O)(Cn3ccnn3)C2)cn1 ZINC000671491286 545249591 /nfs/dbraw/zinc/24/95/91/545249591.db2.gz 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/nfs/dbraw/zinc/65/24/60/535652460.db2.gz RKCSYDZSVHTHRY-RYUDHWBXSA-N 1 0 281.400 0.749 10 0 CCAERO CCOc1ccc(CNC[C@@H]2C[NH2+]C[C@@H]2O)cc1F ZINC000263129577 535724582 /nfs/dbraw/zinc/72/45/82/535724582.db2.gz BOVNXQKVMLMHDC-YPMHNXCESA-N 1 0 268.332 0.894 10 0 CCAERO C[NH+](C)C[C@@](C)(O)CNC(=O)N1CCSCC1 ZINC000408073974 535950843 /nfs/dbraw/zinc/95/08/43/535950843.db2.gz YSIMMIRYKXIGHW-NSHDSACASA-N 1 0 261.391 0.057 10 0 CCAERO CC[C@H](C)N(C)C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261911187 536143132 /nfs/dbraw/zinc/14/31/32/536143132.db2.gz JADOLZHFCXDISI-UHTWSYAYSA-N 1 0 264.373 0.980 10 0 CCAERO CN[C@H](C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)c1cnn(C)c1 ZINC000262318504 536380895 /nfs/dbraw/zinc/38/08/95/536380895.db2.gz DVNGHHVPFGCENM-BNOWGMLFSA-N 1 0 291.399 0.376 10 0 CCAERO CN1CCO[C@H](C[N@H+](C)Cc2ccc(CO)cc2)C1 ZINC000679317924 545406926 /nfs/dbraw/zinc/40/69/26/545406926.db2.gz HVGVHSONRXUWSM-HNNXBMFYSA-N 1 0 264.369 0.941 10 0 CCAERO C[C@@H](CCCCO)[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000398407037 581188048 /nfs/dbraw/zinc/18/80/48/581188048.db2.gz AACMSDGFQGZBQE-UONOGXRCSA-N 1 0 258.406 0.974 10 0 CCAERO C[C@@H]([NH2+]C1CCN(CCO)CC1)[C@H]1CCCOC1 ZINC000399212875 581208255 /nfs/dbraw/zinc/20/82/55/581208255.db2.gz YMMGBNBUFMRBMF-OLZOCXBDSA-N 1 0 256.390 0.848 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1CCN(C)C(=O)C1 ZINC000253549362 581588703 /nfs/dbraw/zinc/58/87/03/581588703.db2.gz RCKXZCRBEAWYKV-MJBXVCDLSA-N 1 0 293.411 0.940 10 0 CCAERO O=C1CCCN1C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000585566397 581633993 /nfs/dbraw/zinc/63/39/93/581633993.db2.gz IOPMZHBYCWPHQF-CHWSQXEVSA-N 1 0 252.358 0.987 10 0 CCAERO COc1cc([C@@H]([NH3+])CCO)c([N+](=O)[O-])cc1OC ZINC000044232557 617216794 /nfs/dbraw/zinc/21/67/94/617216794.db2.gz JRXQHDZCXWKREE-QMMMGPOBSA-N 1 0 256.258 0.994 10 0 CCAERO COc1cc([C@H]([NH3+])CCO)c([N+](=O)[O-])cc1OC ZINC000044232553 617217186 /nfs/dbraw/zinc/21/71/86/617217186.db2.gz JRXQHDZCXWKREE-MRVPVSSYSA-N 1 0 256.258 0.994 10 0 CCAERO CCCOC(=O)[C@H](C)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000119161134 614932416 /nfs/dbraw/zinc/93/24/16/614932416.db2.gz FPRQOFZBSSLZBB-OLZOCXBDSA-N 1 0 272.389 0.981 10 0 CCAERO CCn1cccc1C[N@@H+]1CCC[C@](O)(CC(=O)NC)C1 ZINC000886085310 615606838 /nfs/dbraw/zinc/60/68/38/615606838.db2.gz KRFVKRSHGKOKRE-HNNXBMFYSA-N 1 0 279.384 0.971 10 0 CCAERO CCn1cncc1C[NH2+][C@H]1C[C@@H](O)[C@@H]1n1cc(C)cn1 ZINC000888077153 615631190 /nfs/dbraw/zinc/63/11/90/615631190.db2.gz NZKSCZAJGXXURK-BFHYXJOUSA-N 1 0 275.356 0.872 10 0 CCAERO CC[C@H](CO)[N@@H+]1CC[C@@H](Nc2ccc3nccn3n2)C1 ZINC000930528113 615734982 /nfs/dbraw/zinc/73/49/82/615734982.db2.gz HWSJXHNYWXBFHT-VXGBXAGGSA-N 1 0 275.356 0.986 10 0 CCAERO C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](C(N)=O)[C@@H](C(F)(F)F)C1 ZINC000897996161 616210461 /nfs/dbraw/zinc/21/04/61/616210461.db2.gz NEVBJCRRIHKHBL-CIUDSAMLSA-N 1 0 293.289 0.203 10 0 CCAERO COC(=O)N[C@@H](C(=O)N1CC[C@H]([NH+](C)C)C1)C(C)C ZINC000108270514 616901141 /nfs/dbraw/zinc/90/11/41/616901141.db2.gz PXZQFOMFVFNUJJ-WDEREUQCSA-N 1 0 271.361 0.530 10 0 CCAERO O=S(=O)(/C=C/c1ccccc1)N[C@H]1CC[NH2+]C1 ZINC000052093553 622858441 /nfs/dbraw/zinc/85/84/41/622858441.db2.gz GLVOSSPVAJWIMB-CRALRDPISA-N 1 0 252.339 0.939 10 0 CCAERO COCC[C@H]([NH3+])C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000052808790 623064578 /nfs/dbraw/zinc/06/45/78/623064578.db2.gz UJVVOYJYKSPDAZ-SDDRHHMPSA-N 1 0 256.346 0.520 10 0 CCAERO NC(=O)[C@H](Cn1cc(Br)cn1)[NH2+]C1CC1 ZINC000045437074 623168553 /nfs/dbraw/zinc/16/85/53/623168553.db2.gz YYMLPMYTVXDSHZ-QMMMGPOBSA-N 1 0 273.134 0.252 10 0 CCAERO CC(=O)[C@H]1CCC[N@H+](C[C@@H](O)CN2CCCC2)C1 ZINC000310971761 623613754 /nfs/dbraw/zinc/61/37/54/623613754.db2.gz COGGVSVCWKLLDU-KBPBESRZSA-N 1 0 254.374 0.744 10 0 CCAERO C[C@@H]1CCCN(S(=O)(=O)NCC2CC([NH3+])C2)C1 ZINC000091538925 624968015 /nfs/dbraw/zinc/96/80/15/624968015.db2.gz LJFYZKFJLWPXAZ-KPPDAEKUSA-N 1 0 261.391 0.290 10 0 CCAERO O=S(=O)(NCCc1cscn1)[C@H]1CCC[NH2+]C1 ZINC000104431023 625841987 /nfs/dbraw/zinc/84/19/87/625841987.db2.gz STXKKUFARSWDSD-JTQLQIEISA-N 1 0 275.399 0.357 10 0 CCAERO CN(Cc1ccc(Br)cc1)C(=O)[C@@H]([NH3+])CO ZINC000259074679 631030864 /nfs/dbraw/zinc/03/08/64/631030864.db2.gz XLPYIOAWSZOLBA-JTQLQIEISA-N 1 0 287.157 0.727 10 0 CCAERO CN(CCS(C)(=O)=O)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000094301196 631062146 /nfs/dbraw/zinc/06/21/46/631062146.db2.gz QNXZEBVVWZNBOQ-VHSXEESVSA-N 1 0 262.375 0.007 10 0 CCAERO CN(CCS(C)(=O)=O)C(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000094301342 631063675 /nfs/dbraw/zinc/06/36/75/631063675.db2.gz GZZMGMMUVBDJJS-MNOVXSKESA-N 1 0 276.402 0.255 10 0 CCAERO C[C@@H]([NH3+])CCc1nc([C@H]2CN3CCN2CC3)no1 ZINC000094506149 631278788 /nfs/dbraw/zinc/27/87/88/631278788.db2.gz UYPMRJLFHYVNEX-NXEZZACHSA-N 1 0 251.334 0.022 10 0 CCAERO Cc1noc2ncc(C[NH2+][C@H]3CCOC[C@@H]3O)cc12 ZINC000895405843 632076600 /nfs/dbraw/zinc/07/66/00/632076600.db2.gz ORSVPTKXPGXIBX-RYUDHWBXSA-N 1 0 263.297 0.771 10 0 CCAERO Cc1cc(NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)n[nH]1 ZINC000895752725 632145037 /nfs/dbraw/zinc/14/50/37/632145037.db2.gz KVBNDUXRLBIGRQ-VHSXEESVSA-N 1 0 250.302 0.520 10 0 CCAERO O=C(NCC[NH+]1CCCC1)c1nn2c(c1F)OCC2 ZINC000223849375 632680411 /nfs/dbraw/zinc/68/04/11/632680411.db2.gz DNQHCDCTGGHKGK-UHFFFAOYSA-N 1 0 268.292 0.240 10 0 CCAERO O=S(=O)([C@@H]1CCC[NH2+]C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000043428334 635089623 /nfs/dbraw/zinc/08/96/23/635089623.db2.gz WTEWEYIBEYSMAD-JHJVBQTASA-N 1 0 288.413 0.712 10 0 CCAERO O=C(NCC[NH+]1CCCC1)c1ccc(-n2cnnc2)nc1 ZINC000223059679 636892650 /nfs/dbraw/zinc/89/26/50/636892650.db2.gz KLGJHUQVODZMGB-UHFFFAOYSA-N 1 0 286.339 0.488 10 0 CCAERO O=C([C@@H]1CCCO1)N(C(=O)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000223182257 636895325 /nfs/dbraw/zinc/89/53/25/636895325.db2.gz ZRQDAEMJTXUUQR-JQWIXIFHSA-N 1 0 266.341 0.683 10 0 CCAERO COC[C@@H]([NH3+])C(=O)N[C@@H](Cn1ccnc1)C(C)(C)C ZINC000167757710 636974757 /nfs/dbraw/zinc/97/47/57/636974757.db2.gz PYNVCMCNUIPCPS-MNOVXSKESA-N 1 0 268.361 0.388 10 0 CCAERO C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000226835306 636997519 /nfs/dbraw/zinc/99/75/19/636997519.db2.gz IPKXWWGHHBUCQW-YUTCNCBUSA-N 1 0 262.353 0.847 10 0 CCAERO CO[C@@H](c1noc(C[C@H]2C[NH2+]CCO2)n1)C1CC1 ZINC000227328886 637019275 /nfs/dbraw/zinc/01/92/75/637019275.db2.gz HCKRYYDNHIZHGW-GXSJLCMTSA-N 1 0 253.302 0.698 10 0 CCAERO CC[C@@]1(C(=O)NC[C@H](O)C(F)(F)F)CCC[NH2+]1 ZINC000231786152 637229063 /nfs/dbraw/zinc/22/90/63/637229063.db2.gz OFDLYDDXMSKATD-CBAPKCEASA-N 1 0 254.252 0.558 10 0 CCAERO CC[C@@H]1CN(C(=O)C2=COCCO2)CC[N@@H+]1C[C@@H](C)O ZINC000174618850 637270409 /nfs/dbraw/zinc/27/04/09/637270409.db2.gz RKJXIFLTFXNOSQ-VXGBXAGGSA-N 1 0 284.356 0.178 10 0 CCAERO CNC(=O)C1CCN(C(=O)[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000089388355 637631673 /nfs/dbraw/zinc/63/16/73/637631673.db2.gz IZYFLRISEBOSDB-CHWSQXEVSA-N 1 0 281.400 0.736 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N1CCO[C@H](C)C1 ZINC000175040049 638194918 /nfs/dbraw/zinc/19/49/18/638194918.db2.gz WTVDOWZSEKHDQU-RBSFLKMASA-N 1 0 295.427 0.792 10 0 CCAERO COCC[N@@H+]1CCN(CC(=O)OCC(C)C)C[C@H]1C ZINC000181451240 638366831 /nfs/dbraw/zinc/36/68/31/638366831.db2.gz KYGVOCGACRLQLX-CYBMUJFWSA-N 1 0 272.389 0.838 10 0 CCAERO Cn1nccc1NC(=O)[C@H](C[NH3+])C1CCOCC1 ZINC000864728339 645269614 /nfs/dbraw/zinc/26/96/14/645269614.db2.gz LKHXMPLMFFMDPJ-SNVBAGLBSA-N 1 0 252.318 0.360 10 0 CCAERO Cn1ccnc1[C@@H]1CCCN(C(=O)C(C)(C)[NH3+])C1 ZINC000082120431 649588748 /nfs/dbraw/zinc/58/87/48/649588748.db2.gz PGWILBMXYHNURL-SNVBAGLBSA-N 1 0 250.346 0.863 10 0 CCAERO CCNC(=O)[C@H](C)NC(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089388250 649654847 /nfs/dbraw/zinc/65/48/47/649654847.db2.gz MGWMEDXKXNCQCQ-HBNTYKKESA-N 1 0 255.362 0.392 10 0 CCAERO C[C@@H]([NH2+][C@H]1CCC(=O)NC1=O)c1ccc2c(c1)OCCO2 ZINC000089755267 649662698 /nfs/dbraw/zinc/66/26/98/649662698.db2.gz LXSNJDXHZHUAFV-KOLCDFICSA-N 1 0 290.319 0.914 10 0 CCAERO CCN1C(=O)CN(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)C1=O ZINC000247007650 649698934 /nfs/dbraw/zinc/69/89/34/649698934.db2.gz IWTZOAZDQAAYAI-NEPJUHHUSA-N 1 0 280.372 0.397 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)NOC[C@H]2CCOC2)C1 ZINC000248781507 649737456 /nfs/dbraw/zinc/73/74/56/649737456.db2.gz QHAQQNDKSVWKGI-RYUDHWBXSA-N 1 0 271.361 0.738 10 0 CCAERO [NH3+][C@@H]1CC[C@@H](c2nc([C@H]3CN4CCN3CC4)no2)C1 ZINC000250649015 649782823 /nfs/dbraw/zinc/78/28/23/649782823.db2.gz LGJSWDNEBIEMDL-GMTAPVOTSA-N 1 0 263.345 0.337 10 0 CCAERO C[C@H]([NH3+])CCc1nc([C@H]2CN3CCC[C@H]3CO2)no1 ZINC000252557427 649828464 /nfs/dbraw/zinc/82/84/64/649828464.db2.gz UEIPOTQSUQYLKA-GARJFASQSA-N 1 0 266.345 0.885 10 0 CCAERO [NH3+][C@H]1CC[C@@H](C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000097093245 649830356 /nfs/dbraw/zinc/83/03/56/649830356.db2.gz KZEDZICIBMDFMY-SFYZADRCSA-N 1 0 260.297 0.922 10 0 CCAERO Cc1n[nH]cc1S(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000252673196 649831633 /nfs/dbraw/zinc/83/16/33/649831633.db2.gz HGOCREGWKOVBJH-KOLCDFICSA-N 1 0 284.385 0.575 10 0 CCAERO COc1ccc(OC)c([C@H](C)[NH2+]C[C@H](O)CO)c1 ZINC000105827318 838612086 /nfs/dbraw/zinc/61/20/86/838612086.db2.gz SADLQMLLDPLHOD-UWVGGRQHSA-N 1 0 255.314 0.708 10 0 CCAERO C[N@H+](CCOCC[NH3+])Cc1ccc(C(=O)[O-])cc1 ZINC000699285241 976913312 /nfs/dbraw/zinc/91/33/12/976913312.db2.gz OHQHJOUXLXWNRH-UHFFFAOYSA-N 1 0 252.314 0.792 10 0 CCAERO C[NH+]1CCC(C[NH+]2CC(n3cc(C(=O)[O-])nn3)C2)CC1 ZINC000709503087 977460361 /nfs/dbraw/zinc/46/03/61/977460361.db2.gz GYKMNGVUIJFHFL-UHFFFAOYSA-N 1 0 279.344 0.175 10 0 CCAERO CNC(=O)[C@H](NC(=O)c1c[nH+]ccc1N(C)C)C(C)C ZINC000184001018 290604592 /nfs/dbraw/zinc/60/45/92/290604592.db2.gz ZNCIEQVDPLIJEW-GFCCVEGCSA-N 1 0 278.356 0.648 10 0 CCAERO CC(C)S(=O)(=O)CCCN1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000573331408 334928479 /nfs/dbraw/zinc/92/84/79/334928479.db2.gz ZAPLEYKQETYCKP-OLZOCXBDSA-N 1 0 290.429 0.262 10 0 CCAERO Cc1n[nH]cc1CCCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091544277 349466193 /nfs/dbraw/zinc/46/61/93/349466193.db2.gz LZVDEDLBBMNYMX-ZYHUDNBSSA-N 1 0 250.346 0.894 10 0 CCAERO C[NH+](C)C[C@@H]1CN(C(=O)C2CCC(O)CC2)CCO1 ZINC000408285498 282122536 /nfs/dbraw/zinc/12/25/36/282122536.db2.gz GEJDTDMZUDJWPH-WXRRBKDZSA-N 1 0 270.373 0.327 10 0 CCAERO Cc1ccc([C@@H](C)NC(=O)C(=O)N2CC[NH2+]CC2)cc1F ZINC000094963281 349580515 /nfs/dbraw/zinc/58/05/15/349580515.db2.gz QIWPWNLQYAHARZ-LLVKDONJSA-N 1 0 293.342 0.743 10 0 CCAERO Cc1cc(C)nc(S(=O)(=O)N2CCC[C@H](C[NH3+])C2)n1 ZINC000095068851 349585053 /nfs/dbraw/zinc/58/50/53/349585053.db2.gz LRLNOHQLJZYYAU-LLVKDONJSA-N 1 0 284.385 0.453 10 0 CCAERO C[C@H](c1ccccn1)S(=O)(=O)NC[C@H]1CCC[NH2+]1 ZINC000095068113 349585086 /nfs/dbraw/zinc/58/50/86/349585086.db2.gz FSJNCVGBLROGST-GHMZBOCLSA-N 1 0 269.370 0.814 10 0 CCAERO C[C@H](c1ccccn1)S(=O)(=O)N[C@@H]1CC[NH2+]C1 ZINC000095068079 349585170 /nfs/dbraw/zinc/58/51/70/349585170.db2.gz OTKKXPWTWKLAEY-NXEZZACHSA-N 1 0 255.343 0.424 10 0 CCAERO Cc1cc(C)nc(S(=O)(=O)N(C)[C@@H]2CCC[NH2+]C2)n1 ZINC000095070612 349587137 /nfs/dbraw/zinc/58/71/37/349587137.db2.gz MSYFCFDBCAKWDB-LLVKDONJSA-N 1 0 284.385 0.466 10 0 CCAERO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2nccnc2C)C1 ZINC000095071456 349587159 /nfs/dbraw/zinc/58/71/59/349587159.db2.gz NWMYIGLLNAJDIV-SNVBAGLBSA-N 1 0 270.358 0.158 10 0 CCAERO COc1cc(OC)c([C@](C)(C[NH3+])CO)c(OC)c1 ZINC000096890809 185123712 /nfs/dbraw/zinc/12/37/12/185123712.db2.gz WOKDKGOXGYUXGB-CYBMUJFWSA-N 1 0 255.314 0.921 10 0 CCAERO CCCC[C@H](C[NH3+])NC(=O)[C@H](CCSC)NC(N)=O ZINC000262613970 282953367 /nfs/dbraw/zinc/95/33/67/282953367.db2.gz WZPLHZORZDJOLE-ZJUUUORDSA-N 1 0 290.433 0.410 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)C12CC3CC(CC(C3)C1)C2 ZINC000262300396 295673353 /nfs/dbraw/zinc/67/33/53/295673353.db2.gz POBQUWAZWZPTFA-FUDOWXGNSA-N 1 0 278.396 0.899 10 0 CCAERO C[NH2+]CC(=O)N1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000262757911 290638427 /nfs/dbraw/zinc/63/84/27/290638427.db2.gz ILBSOWNFZVUINS-UHFFFAOYSA-N 1 0 267.373 0.599 10 0 CCAERO C[C@@H](c1nc(N)nc(N(C)C)n1)N(C)C[C@@H]1CCCO1 ZINC000103480680 349700850 /nfs/dbraw/zinc/70/08/50/349700850.db2.gz ANXITLBNIIVAGP-UWVGGRQHSA-N 1 0 280.376 0.692 10 0 CCAERO CCS(=O)(=O)CC[NH2+]Cc1nc(C)ccc1O ZINC000103345195 349697997 /nfs/dbraw/zinc/69/79/97/349697997.db2.gz VABHFNCNMHWKMB-UHFFFAOYSA-N 1 0 258.343 0.620 10 0 CCAERO CC(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105817815 349725025 /nfs/dbraw/zinc/72/50/25/349725025.db2.gz WFYBTNMHUSDAPF-AWEZNQCLSA-N 1 0 269.389 0.260 10 0 CCAERO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C(=O)C3CC3)CC2)C1 ZINC000105817893 349725676 /nfs/dbraw/zinc/72/56/76/349725676.db2.gz WUCNOHJLIYFONQ-HNNXBMFYSA-N 1 0 295.427 0.650 10 0 CCAERO C[N@H+](CCCNC(=O)[C@@H]1CNC(=O)C1)Cc1ccccc1 ZINC000110347358 349758363 /nfs/dbraw/zinc/75/83/63/349758363.db2.gz OXLJPMJFQYBYGM-AWEZNQCLSA-N 1 0 289.379 0.761 10 0 CCAERO COC(=O)c1ccc(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000111271274 349769207 /nfs/dbraw/zinc/76/92/07/349769207.db2.gz DRYWSDSRYRZRMU-ZWNOBZJWSA-N 1 0 276.336 0.945 10 0 CCAERO CC1(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)COC1 ZINC000112753466 349791982 /nfs/dbraw/zinc/79/19/82/349791982.db2.gz KZYFOZPWKDKKKD-LBPRGKRZSA-N 1 0 267.373 0.903 10 0 CCAERO CC1(CNC(=O)NC[C@H](O)C[NH+]2CCCCC2)COC1 ZINC000112753421 349792277 /nfs/dbraw/zinc/79/22/77/349792277.db2.gz GTOFKYRFPSWWRW-LBPRGKRZSA-N 1 0 285.388 0.169 10 0 CCAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CC[C@@](C)(O)C2)C1 ZINC000341653017 282219239 /nfs/dbraw/zinc/21/92/39/282219239.db2.gz WMTIBUHNGVZRLN-DMDPSCGWSA-N 1 0 255.362 0.635 10 0 CCAERO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C)CC1CC1 ZINC000126355232 187234274 /nfs/dbraw/zinc/23/42/74/187234274.db2.gz LFLQQBRDEXAGPA-SKDRFNHKSA-N 1 0 255.362 0.391 10 0 CCAERO Cc1ccc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c(=O)[nH]1 ZINC000113224371 349804464 /nfs/dbraw/zinc/80/44/64/349804464.db2.gz AMYFYOQAHFJNDE-RYUDHWBXSA-N 1 0 275.352 0.992 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NC1CCOCC1 ZINC000113267746 349807312 /nfs/dbraw/zinc/80/73/12/349807312.db2.gz OTANUDRHAOZBDK-TZMCWYRMSA-N 1 0 281.400 0.450 10 0 CCAERO Cc1ccc(N2CCC[C@@H]([NH2+][C@H]3CCN(C)C3=O)C2)nn1 ZINC000329311549 136379773 /nfs/dbraw/zinc/37/97/73/136379773.db2.gz CQLPPTNLXFXOHM-OLZOCXBDSA-N 1 0 289.383 0.574 10 0 CCAERO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000135308234 136392148 /nfs/dbraw/zinc/39/21/48/136392148.db2.gz IKOJAMWRHGGTOV-OLZOCXBDSA-N 1 0 289.383 0.656 10 0 CCAERO CC(=O)NCCCNC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113594171 349816199 /nfs/dbraw/zinc/81/61/99/349816199.db2.gz PSJOZSKDJOJDFR-WCQYABFASA-N 1 0 282.388 0.391 10 0 CCAERO CCc1nc2n(n1)C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)CC2 ZINC000114873286 349844503 /nfs/dbraw/zinc/84/45/03/349844503.db2.gz KZKORZHKFPYFQR-WDEREUQCSA-N 1 0 277.372 0.366 10 0 CCAERO Cc1cc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)n(C)n1 ZINC000116928672 349877272 /nfs/dbraw/zinc/87/72/72/349877272.db2.gz ZMIQRWBWABJOON-LLVKDONJSA-N 1 0 281.360 0.523 10 0 CCAERO CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCN1CCOC ZINC000117305977 349884678 /nfs/dbraw/zinc/88/46/78/349884678.db2.gz IPEHNWLLBFPRKH-CQSZACIVSA-N 1 0 285.432 0.896 10 0 CCAERO CC[NH+](CC)CCN1CCN(c2cnn(C)c2)CC1 ZINC000119958937 349963767 /nfs/dbraw/zinc/96/37/67/349963767.db2.gz PEPJNPNPITUPDJ-UHFFFAOYSA-N 1 0 265.405 0.884 10 0 CCAERO C[N@H+](CCCO)C1CCN([C@@H]2CCCCNC2=O)CC1 ZINC000120226233 349974910 /nfs/dbraw/zinc/97/49/10/349974910.db2.gz MFYDJOXLVFZTRP-CQSZACIVSA-N 1 0 283.416 0.434 10 0 CCAERO Cc1cc(NC(=O)CN(C)C(=O)[C@H]2CCC[C@@H]2[NH3+])no1 ZINC000085368551 136793975 /nfs/dbraw/zinc/79/39/75/136793975.db2.gz NWSBIQQJCYUUAN-UWVGGRQHSA-N 1 0 280.328 0.507 10 0 CCAERO C[C@@H](C(=O)Nc1cccc2c1C[NH2+]CC2)S(C)(=O)=O ZINC000168367998 136847099 /nfs/dbraw/zinc/84/70/99/136847099.db2.gz BMMTWCPETHLJEH-VIFPVBQESA-N 1 0 282.365 0.704 10 0 CCAERO O=C(CC[N@@H+]1CCC[C@H](n2cncn2)C1)N1CCOCC1 ZINC000171705771 136856130 /nfs/dbraw/zinc/85/61/30/136856130.db2.gz DOTKALCCWXYUOJ-ZDUSSCGKSA-N 1 0 293.371 0.164 10 0 CCAERO C[C@H](Cn1cncn1)NC(=O)NCCC1CC[NH+](C)CC1 ZINC000103312804 185828727 /nfs/dbraw/zinc/82/87/27/185828727.db2.gz OBBHENRMAPFJOF-GFCCVEGCSA-N 1 0 294.403 0.698 10 0 CCAERO COCC1(C(=O)N[C@H]2CCC[C@H]2OC)CC[NH2+]CC1 ZINC000234679899 136963931 /nfs/dbraw/zinc/96/39/31/136963931.db2.gz FVMGRRJUXKWPJS-NWDGAFQWSA-N 1 0 270.373 0.686 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NCc1cccnc1 ZINC000246979554 136983575 /nfs/dbraw/zinc/98/35/75/136983575.db2.gz DXHRVOJNJZIMFO-ZFWWWQNUSA-N 1 0 288.395 0.866 10 0 CCAERO CN1CC[C@H]([N@@H+]2C[C@H](CO)[C@@H](c3ccsc3)C2)C1=O ZINC000249545592 137000069 /nfs/dbraw/zinc/00/00/69/137000069.db2.gz GEJOQKCWOUMECM-UPJWGTAASA-N 1 0 280.393 0.987 10 0 CCAERO C[C@@H](NC(=O)[C@@H]([NH3+])C1CCOCC1)C(=O)N1CCCCC1 ZINC000261630701 137012960 /nfs/dbraw/zinc/01/29/60/137012960.db2.gz CXHIBJSYADTCPN-YPMHNXCESA-N 1 0 297.399 0.258 10 0 CCAERO CC(=O)N1CSC[C@@H]1C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000261628632 137013100 /nfs/dbraw/zinc/01/31/00/137013100.db2.gz AVBMVFPGYPEOHA-JMJZKYOTSA-N 1 0 271.386 0.104 10 0 CCAERO 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260.293 0.743 10 0 CCAERO O=C(CCC(=O)c1cccs1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262245415 137032633 /nfs/dbraw/zinc/03/26/33/137032633.db2.gz LFJSQIYPKROJKD-KOLCDFICSA-N 1 0 282.365 0.408 10 0 CCAERO Cc1cc(C)n([C@H](C)CC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)n1 ZINC000262255334 137033140 /nfs/dbraw/zinc/03/31/40/137033140.db2.gz LUGQBWFRRQXLNV-FRRDWIJNSA-N 1 0 280.372 0.148 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cc(-c2ccccc2)no1 ZINC000262283926 137035538 /nfs/dbraw/zinc/03/55/38/137035538.db2.gz OCGGBYJNCNGMOX-AAEUAGOBSA-N 1 0 287.319 0.652 10 0 CCAERO Cc1cc(OCC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)ccc1Cl ZINC000262295684 137035786 /nfs/dbraw/zinc/03/57/86/137035786.db2.gz PAUFXTNOBXMZGW-MFKMUULPSA-N 1 0 298.770 0.724 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1c[nH]cc1-c1ccccc1 ZINC000262316340 137037401 /nfs/dbraw/zinc/03/74/01/137037401.db2.gz QWVNJAUMIJZYTB-IUODEOHRSA-N 1 0 285.347 0.992 10 0 CCAERO Cc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)nn1C(C)(C)C ZINC000262322629 137037622 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ZINC000263206472 137060269 /nfs/dbraw/zinc/06/02/69/137060269.db2.gz JSRCGSWDHBGDCJ-ZJUUUORDSA-N 1 0 252.318 0.225 10 0 CCAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2ccc(C(N)=O)o2)n1 ZINC000263213626 137060327 /nfs/dbraw/zinc/06/03/27/137060327.db2.gz KODLWXYAXLOLDS-SSDOTTSWSA-N 1 0 277.284 0.005 10 0 CCAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1ccn(-c2ccccc2)n1 ZINC000263226267 137060876 /nfs/dbraw/zinc/06/08/76/137060876.db2.gz MVSDTDMFGDBJFP-WFASDCNBSA-N 1 0 272.352 0.542 10 0 CCAERO CO[C@H]1C[C@H](CO)[N@H+](CCn2nc(C)cc2C)C1 ZINC000344707840 137209231 /nfs/dbraw/zinc/20/92/31/137209231.db2.gz JVORRDRTWLZXOX-OLZOCXBDSA-N 1 0 253.346 0.582 10 0 CCAERO CCC[NH+]1CCN(c2ccc(C(N)=O)cc2N)CC1 ZINC000035330449 348159288 /nfs/dbraw/zinc/15/92/88/348159288.db2.gz MMNQGVCVLOLZTI-UHFFFAOYSA-N 1 0 262.357 0.900 10 0 CCAERO O=C(Nc1cccc(-n2ccnc2)c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000037013547 348178914 /nfs/dbraw/zinc/17/89/14/348178914.db2.gz IDPRTLQOYSHZNO-OLZOCXBDSA-N 1 0 272.308 0.534 10 0 CCAERO CC(C)(CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)c1ccccc1 ZINC000037934903 348220663 /nfs/dbraw/zinc/22/06/63/348220663.db2.gz HITFWZQUXAVSMX-QWHCGFSZSA-N 1 0 262.353 0.803 10 0 CCAERO CC(C)[NH2+]CC(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000037389800 348187638 /nfs/dbraw/zinc/18/76/38/348187638.db2.gz AJYMHAJBMYIOPQ-SNVBAGLBSA-N 1 0 299.396 0.509 10 0 CCAERO O=C(CNc1ccc(Cl)cn1)N1CC[NH2+]CC1 ZINC000037716328 348199363 /nfs/dbraw/zinc/19/93/63/348199363.db2.gz MVHZKVVESMKEPT-UHFFFAOYSA-N 1 0 254.721 0.579 10 0 CCAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)C1=NNC(=O)CC1 ZINC000040435652 348233802 /nfs/dbraw/zinc/23/38/02/348233802.db2.gz SDALSLGNPFREGU-JTQLQIEISA-N 1 0 266.345 0.243 10 0 CCAERO C[NH2+][C@H](C)C(=O)Nc1cccc(OCC(N)=O)c1 ZINC000054073869 348540696 /nfs/dbraw/zinc/54/06/96/348540696.db2.gz NLCBLOJUSRCDAD-MRVPVSSYSA-N 1 0 251.286 0.097 10 0 CCAERO CC(C)NC(=O)CN(C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054291995 348548159 /nfs/dbraw/zinc/54/81/59/348548159.db2.gz ZUERCTATTYZRLG-NSHDSACASA-N 1 0 255.362 0.359 10 0 CCAERO CC(C)C(=O)N1CCN(C(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000054307828 348549466 /nfs/dbraw/zinc/54/94/66/348549466.db2.gz SYKIKKVENIHFDF-CYBMUJFWSA-N 1 0 281.400 0.703 10 0 CCAERO CCN(C(=O)C[C@@H]1CCC[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC000054307813 348549677 /nfs/dbraw/zinc/54/96/77/348549677.db2.gz UUXBZUVOAOMCFZ-NWDGAFQWSA-N 1 0 288.413 0.412 10 0 CCAERO CCCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CCCO ZINC000052762731 348514689 /nfs/dbraw/zinc/51/46/89/348514689.db2.gz JYJPATJATLEBPK-GFCCVEGCSA-N 1 0 285.388 0.849 10 0 CCAERO CCOC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000062115202 348664680 /nfs/dbraw/zinc/66/46/80/348664680.db2.gz SNMVOVPYMPOIPS-GHMZBOCLSA-N 1 0 269.345 0.333 10 0 CCAERO CC(C)(C)OC(=O)N1C[C@@H]([NH3+])[C@H](N2CCOCC2)C1 ZINC000058041458 348620477 /nfs/dbraw/zinc/62/04/77/348620477.db2.gz GZBVXZUGSZCUMW-GHMZBOCLSA-N 1 0 271.361 0.265 10 0 CCAERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(NC(N)=O)cc1 ZINC000104205045 185930495 /nfs/dbraw/zinc/93/04/95/185930495.db2.gz YOAXHOWMQKIDIP-KCJUWKMLSA-N 1 0 262.313 0.971 10 0 CCAERO COC(=O)c1sc(NC(=O)[C@@H]2CCC[NH2+]2)nc1C ZINC000067508875 348775963 /nfs/dbraw/zinc/77/59/63/348775963.db2.gz VAEGSCYENULDRW-ZETCQYMHSA-N 1 0 269.326 0.929 10 0 CCAERO COC(=O)c1ccc(N2CCC[C@@H](C)[C@H]2C[NH3+])nn1 ZINC000070178567 348877288 /nfs/dbraw/zinc/87/72/88/348877288.db2.gz BEUNJCVXSHATDA-MWLCHTKSSA-N 1 0 264.329 0.827 10 0 CCAERO COCc1noc(-c2ccc(N3CC[C@@H]([NH3+])C3)nc2)n1 ZINC000070457776 348890512 /nfs/dbraw/zinc/89/05/12/348890512.db2.gz QFMYAXSXOXXZMN-SNVBAGLBSA-N 1 0 275.312 0.815 10 0 CCAERO CCC1CC[NH+](CC(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000076796638 349091687 /nfs/dbraw/zinc/09/16/87/349091687.db2.gz YASPUVFYTAVQBO-CYBMUJFWSA-N 1 0 281.400 0.832 10 0 CCAERO C[C@@H]1COC[C@H](C)[N@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000077657905 349116212 /nfs/dbraw/zinc/11/62/12/349116212.db2.gz LUHOBTYSWZVCAH-CRWXNKLISA-N 1 0 273.373 0.652 10 0 CCAERO COC[C@H]([NH3+])CN(C)C(=O)c1ccc(N(C)C)cc1 ZINC000104320576 185967792 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350111668 /nfs/dbraw/zinc/11/16/68/350111668.db2.gz YVHFFZJJEIBFKI-UHFFFAOYSA-N 1 0 291.286 0.025 10 0 CCAERO Cc1nnc(Sc2c(CC[NH3+])c(C)nn2C)[nH]1 ZINC000104439749 186002678 /nfs/dbraw/zinc/00/26/78/186002678.db2.gz ISXDPXUWJQFKIJ-UHFFFAOYSA-N 1 0 252.347 0.807 10 0 CCAERO C[C@H](C[S@](C)=O)[N@H+](C)C[C@H](O)COC(C)(C)C ZINC000125998252 350135292 /nfs/dbraw/zinc/13/52/92/350135292.db2.gz SDPONJDCAZWPQJ-VGTOOOLASA-N 1 0 265.419 0.861 10 0 CCAERO O=C(N[C@H]1CCc2ncnn2C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000127041042 350160513 /nfs/dbraw/zinc/16/05/13/350160513.db2.gz CTERLAPSNXUWNX-JSGCOSHPSA-N 1 0 289.383 0.584 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCCNC(=O)C(C)C)C1 ZINC000127105738 350161572 /nfs/dbraw/zinc/16/15/72/350161572.db2.gz NWKDYWUBQQFCTB-CYBMUJFWSA-N 1 0 298.431 0.932 10 0 CCAERO C[C@H](CNC(=O)NC[C@H](C)N1CCOCC1)[N@H+](C)C1CC1 ZINC000105124346 186043032 /nfs/dbraw/zinc/04/30/32/186043032.db2.gz BOBMCDYLMCIAGP-OLZOCXBDSA-N 1 0 298.431 0.489 10 0 CCAERO 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264.373 0.416 10 0 CCAERO COc1c(C[NH2+][C@@H]2CCCN(C)C2)c(C)nn1C ZINC000134140354 350355963 /nfs/dbraw/zinc/35/59/63/350355963.db2.gz XYWDXNUYDJQBJG-LLVKDONJSA-N 1 0 252.362 0.921 10 0 CCAERO CCOC(=O)c1cnc(N2CCC[C@@H]([NH3+])C2)nc1C ZINC000134314095 350360216 /nfs/dbraw/zinc/36/02/16/350360216.db2.gz UARJSPRFZROOGV-SNVBAGLBSA-N 1 0 264.329 0.889 10 0 CCAERO CCN1CCO[C@@H](CNc2nnnn2-c2ccccc2)C1 ZINC000134478610 350365359 /nfs/dbraw/zinc/36/53/59/350365359.db2.gz GFWVZNNWPLCOCS-ZDUSSCGKSA-N 1 0 288.355 0.795 10 0 CCAERO CCC(=O)N1CC[C@@H](NC(=O)N[C@@H]2CCC[N@@H+](CC)C2)C1 ZINC000135123731 350385906 /nfs/dbraw/zinc/38/59/06/350385906.db2.gz ROAGYDHWIJNWMK-CHWSQXEVSA-N 1 0 296.415 0.781 10 0 CCAERO C[C@@H]1OCC[C@H]1[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC000135363369 350393262 /nfs/dbraw/zinc/39/32/62/350393262.db2.gz QABNBLVREVSZFQ-CMPLNLGQSA-N 1 0 255.362 0.899 10 0 CCAERO CCOCC[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000135706225 350407507 /nfs/dbraw/zinc/40/75/07/350407507.db2.gz 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272.414 0.699 10 0 CCAERO O=C(N[C@@H]1C[C@H]2C[NH2+][C@@H]1C2)c1ccc2nccn2c1 ZINC000168333827 350824262 /nfs/dbraw/zinc/82/42/62/350824262.db2.gz XMDIMVXGPMCIRQ-MVWJERBFSA-N 1 0 256.309 0.815 10 0 CCAERO CCCC[C@@H](NC(N)=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170854785 350867736 /nfs/dbraw/zinc/86/77/36/350867736.db2.gz YAPRMLOFDJUAID-WDEREUQCSA-N 1 0 270.377 0.376 10 0 CCAERO CSCC(=O)N1C[C@@H](CO)C2(C1)CC[NH2+]CC2 ZINC000169789443 350839571 /nfs/dbraw/zinc/83/95/71/350839571.db2.gz KHYMTXKYDQILMX-JTQLQIEISA-N 1 0 258.387 0.170 10 0 CCAERO Cc1ncccc1C(=O)N[C@@H]1CN(C)C[C@H]1C[NH+](C)C ZINC000169790635 350840652 /nfs/dbraw/zinc/84/06/52/350840652.db2.gz OLYGMKSLAYBCMI-TZMCWYRMSA-N 1 0 276.384 0.612 10 0 CCAERO CN(C)c1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000170866871 350869490 /nfs/dbraw/zinc/86/94/90/350869490.db2.gz KLQVYCOVSKXEQP-GFCCVEGCSA-N 1 0 262.357 0.924 10 0 CCAERO C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2)C1 ZINC000170845418 350866829 /nfs/dbraw/zinc/86/68/29/350866829.db2.gz AQKXRIITBNACSU-LBPRGKRZSA-N 1 0 279.315 0.927 10 0 CCAERO CC(=O)N[C@@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000171585488 350918430 /nfs/dbraw/zinc/91/84/30/350918430.db2.gz NSUYJQVYIYYMNC-HUUCEWRRSA-N 1 0 293.411 0.988 10 0 CCAERO Cc1cnn(CCC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000170864712 350870091 /nfs/dbraw/zinc/87/00/91/350870091.db2.gz ZDZQOVGZKHURCP-LBPRGKRZSA-N 1 0 250.346 0.744 10 0 CCAERO C[C@H]1CN(C2CC[NH+](CCCCO)CC2)CCO1 ZINC000171064714 350882374 /nfs/dbraw/zinc/88/23/74/350882374.db2.gz UJOYLQPPFSSUNH-ZDUSSCGKSA-N 1 0 256.390 0.944 10 0 CCAERO COCCOCCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171902185 350942709 /nfs/dbraw/zinc/94/27/09/350942709.db2.gz HYNZSANJRMJLCE-LBPRGKRZSA-N 1 0 271.361 0.139 10 0 CCAERO CCOCCCNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173767455 351053899 /nfs/dbraw/zinc/05/38/99/351053899.db2.gz DCGZFUPIJLFJEE-CYBMUJFWSA-N 1 0 285.388 0.529 10 0 CCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCCN1C(=O)CNC1=O ZINC000175043812 351116199 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CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@H](O)CN1CCCC1=O ZINC000175593236 351135428 /nfs/dbraw/zinc/13/54/28/351135428.db2.gz MVONFLFSFHZKER-QLFBSQMISA-N 1 0 295.427 0.528 10 0 CCAERO C[C@H]1CN(C(=O)CC2CC[NH2+]CC2)C[C@@H]1N1CCOCC1 ZINC000178861283 351249169 /nfs/dbraw/zinc/24/91/69/351249169.db2.gz ZTIKTSZWLYOTSP-ZFWWWQNUSA-N 1 0 295.427 0.555 10 0 CCAERO COCCc1noc(CN2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000177775200 351212483 /nfs/dbraw/zinc/21/24/83/351212483.db2.gz LTFRSLYHISKBDU-GFCCVEGCSA-N 1 0 280.372 0.929 10 0 CCAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000178335243 351228539 /nfs/dbraw/zinc/22/85/39/351228539.db2.gz ZYJFBMGOWPYXRF-GJZGRUSLSA-N 1 0 289.383 0.914 10 0 CCAERO C[C@H]([NH2+]CC(=O)NC(N)=O)c1cccc(-n2ccnc2)c1 ZINC000180668466 351290408 /nfs/dbraw/zinc/29/04/08/351290408.db2.gz WVWPBKPQQBNTJX-JTQLQIEISA-N 1 0 287.323 0.718 10 0 CCAERO COCCc1noc(CN(C)C(=O)[C@@]2(C)CCCC[NH2+]2)n1 ZINC000180964603 351296263 /nfs/dbraw/zinc/29/62/63/351296263.db2.gz 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MLFJWYCPDMATTE-QWHCGFSZSA-N 1 0 299.415 0.821 10 0 CCAERO C[C@@H]1CC[C@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)[C@H](C)C1 ZINC000333519859 296717204 /nfs/dbraw/zinc/71/72/04/296717204.db2.gz GMMWXUCQQQUPHF-BNDIWNMDSA-N 1 0 269.389 0.785 10 0 CCAERO CCS(=O)(=O)NCCC[NH2+][C@@H]1CCO[C@@H]1C ZINC000120741836 286680327 /nfs/dbraw/zinc/68/03/27/286680327.db2.gz BAXPFSXNWRDSRK-NXEZZACHSA-N 1 0 250.364 0.083 10 0 CCAERO CO[C@H](C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21)C1CCC1 ZINC000659324916 413412148 /nfs/dbraw/zinc/41/21/48/413412148.db2.gz MFQMBOQUITUJLG-TUAOUCFPSA-N 1 0 254.330 0.001 10 0 CCAERO CN1CCN(C(=O)C[C@H]2CCC[NH2+]C2)CCC1=O ZINC000659372453 413452986 /nfs/dbraw/zinc/45/29/86/413452986.db2.gz CWXQMVIGVKUVNJ-LLVKDONJSA-N 1 0 253.346 0.067 10 0 CCAERO C[C@@H](NC(N)=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000055992023 287007951 /nfs/dbraw/zinc/00/79/51/287007951.db2.gz OSOHREMOMBENDN-SNVBAGLBSA-N 1 0 268.361 0.130 10 0 CCAERO CCS(=O)(=O)C1(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000659379673 413462718 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/nfs/dbraw/zinc/70/13/54/411701354.db2.gz FFKDGVDIZMDKPM-GFCCVEGCSA-N 1 0 281.400 0.893 10 0 CCAERO CC(C)(C)[C@H](O)CN1C(=O)N[C@]2(CCC[NH2+]C2)C1=O ZINC000311642891 411751911 /nfs/dbraw/zinc/75/19/11/411751911.db2.gz QIWGHTWJNVWLLS-RNCFNFMXSA-N 1 0 269.345 0.067 10 0 CCAERO [NH3+][C@H](C(=O)N1CC[C@@H](N2CCOCC2)C1)C1CCC1 ZINC000398953505 411775052 /nfs/dbraw/zinc/77/50/52/411775052.db2.gz GAFSHYCZEWPWPL-OLZOCXBDSA-N 1 0 267.373 0.047 10 0 CCAERO COc1c(C[NH2+]CC[C@]2(O)CCOC2)c(C)nn1C ZINC000404184001 411793994 /nfs/dbraw/zinc/79/39/94/411793994.db2.gz ILTGICFRIITNRJ-ZDUSSCGKSA-N 1 0 269.345 0.368 10 0 CCAERO COc1ncc(Cl)c(N2CCO[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000132927822 411728240 /nfs/dbraw/zinc/72/82/40/411728240.db2.gz METSOAYWLVYKCE-VXNVDRBHSA-N 1 0 272.736 0.691 10 0 CCAERO Cc1nc(NCCC2(C[NH3+])CC2)sc1S(N)(=O)=O ZINC000404529623 411795263 /nfs/dbraw/zinc/79/52/63/411795263.db2.gz XCDDNVBDGCKRKF-UHFFFAOYSA-N 1 0 290.414 0.062 10 0 CCAERO COc1ccnc(CN2C[C@H](OC)C[C@H]2CO)c1 ZINC000284464906 196062364 /nfs/dbraw/zinc/06/23/64/196062364.db2.gz AUXBWGUDOVCLCT-WCQYABFASA-N 1 0 252.314 0.672 10 0 CCAERO Nc1n[nH]cc1[C@H]1CN(CC[NH3+])c2ccccc2N1 ZINC000616685670 411842091 /nfs/dbraw/zinc/84/20/91/411842091.db2.gz SCUNEGHGYQMCTG-LLVKDONJSA-N 1 0 258.329 0.924 10 0 CCAERO [NH3+]Cc1ccccc1OCC(=O)Nc1ncccn1 ZINC000019470272 170804394 /nfs/dbraw/zinc/80/43/94/170804394.db2.gz DBQMXHPCSJHTDL-UHFFFAOYSA-N 1 0 258.281 0.953 10 0 CCAERO C[NH2+]C[C@H](O)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000019864313 170899314 /nfs/dbraw/zinc/89/93/14/170899314.db2.gz ALUBSSDXBMWRCR-QUNCOHTASA-N 1 0 269.345 0.067 10 0 CCAERO [NH3+]Cc1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1F ZINC000020189095 171054538 /nfs/dbraw/zinc/05/45/38/171054538.db2.gz NQKYWIXOSUHBKA-JTQLQIEISA-N 1 0 288.344 0.742 10 0 CCAERO COc1ccc(C)cc1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000020247525 171101167 /nfs/dbraw/zinc/10/11/67/171101167.db2.gz CBZCYNDJUGSDPA-UHFFFAOYSA-N 1 0 285.369 0.566 10 0 CCAERO O=S(=O)(N1CCC[NH2+]CC1)N1CCCCCCC1 ZINC000020266277 171122701 /nfs/dbraw/zinc/12/27/01/171122701.db2.gz BRPJMXNDWXBZJH-UHFFFAOYSA-N 1 0 275.418 0.793 10 0 CCAERO CNC(=O)NC(=O)[C@H](C)NCC[NH+](C(C)C)C(C)C ZINC000020303269 171140520 /nfs/dbraw/zinc/14/05/20/171140520.db2.gz UGYUFOKFCMDHHR-NSHDSACASA-N 1 0 272.393 0.539 10 0 CCAERO COc1ccc(CC[NH2+][C@@H](C)C(N)=O)cc1OC ZINC000020309174 171143226 /nfs/dbraw/zinc/14/32/26/171143226.db2.gz UCVUPFUMMLLIML-VIFPVBQESA-N 1 0 252.314 0.710 10 0 CCAERO CCN(CC)CC[NH2+][C@H](C)C(=O)NCCCOC ZINC000020364719 171163492 /nfs/dbraw/zinc/16/34/92/171163492.db2.gz JLEBTDABSKTDFX-GFCCVEGCSA-N 1 0 259.394 0.459 10 0 CCAERO CNC(=O)NC(=O)[C@@H](C)Oc1cccc(C[NH3+])c1 ZINC000020386967 171176793 /nfs/dbraw/zinc/17/67/93/171176793.db2.gz OQCXVFXKPKKLKO-MRVPVSSYSA-N 1 0 251.286 0.368 10 0 CCAERO C[NH+](C)CCNS(=O)(=O)c1ccc2c(c1)CCN2 ZINC000020431732 171196500 /nfs/dbraw/zinc/19/65/00/171196500.db2.gz IXRRPVFMBDKEOT-UHFFFAOYSA-N 1 0 269.370 0.495 10 0 CCAERO Cc1cc(C[NH3+])cc(C)c1OCC(=O)NC(N)=O ZINC000020470778 171213132 /nfs/dbraw/zinc/21/31/32/171213132.db2.gz GVIICWUENJUFDY-UHFFFAOYSA-N 1 0 251.286 0.336 10 0 CCAERO CNC(=O)NC(=O)[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC000020473545 171217207 /nfs/dbraw/zinc/21/72/07/171217207.db2.gz JXVXYISNZYLMOX-MRVPVSSYSA-N 1 0 253.277 0.759 10 0 CCAERO COc1cc(C[C@@H](C[NH3+])C(N)=O)cc(OC)c1OC ZINC000020579997 171256936 /nfs/dbraw/zinc/25/69/36/171256936.db2.gz VVIVKLUKSOMECT-VIFPVBQESA-N 1 0 268.313 0.315 10 0 CCAERO [NH3+]Cc1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000021516121 171312475 /nfs/dbraw/zinc/31/24/75/171312475.db2.gz YNOSHLVJNFWEDO-UHFFFAOYSA-N 1 0 270.354 0.307 10 0 CCAERO [NH3+]Cc1ccccc1NC(=O)CCN1CCOCC1 ZINC000022151460 171358741 /nfs/dbraw/zinc/35/87/41/171358741.db2.gz BWRTUNAAOLDFCQ-UHFFFAOYSA-N 1 0 263.341 0.806 10 0 CCAERO C[C@@H](C(=O)Nc1cccc(C[NH3+])c1)N1CCOCC1 ZINC000022152549 171359699 /nfs/dbraw/zinc/35/96/99/171359699.db2.gz QZWWDMNMSNOWLJ-NSHDSACASA-N 1 0 263.341 0.805 10 0 CCAERO [NH3+]Cc1ccc(NC(=O)CCN2CCOCC2)cc1 ZINC000022153642 171360571 /nfs/dbraw/zinc/36/05/71/171360571.db2.gz UYLQQWKCZZAFIG-UHFFFAOYSA-N 1 0 263.341 0.806 10 0 CCAERO C[C@@H]1CN(S(=O)(=O)c2ccc(C[NH3+])cc2)C[C@H](C)O1 ZINC000022168501 171366494 /nfs/dbraw/zinc/36/64/94/171366494.db2.gz YVYQOARGRNMHOY-PHIMTYICSA-N 1 0 284.381 0.943 10 0 CCAERO NC(=O)C1CC[NH+](CCC(=O)Nc2ccccc2N)CC1 ZINC000022209412 171373056 /nfs/dbraw/zinc/37/30/56/171373056.db2.gz RFBAKBMTKBKSAB-UHFFFAOYSA-N 1 0 290.367 0.795 10 0 CCAERO [NH3+][C@@H](CN1CCOCC1)c1ccc2c(c1)OCO2 ZINC000022563998 171391497 /nfs/dbraw/zinc/39/14/97/171391497.db2.gz IKXKFNCKOXSOJT-NSHDSACASA-N 1 0 250.298 0.747 10 0 CCAERO CCOCCCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653057046 412203517 /nfs/dbraw/zinc/20/35/17/412203517.db2.gz LVYXIKANKUAMGJ-RKDXNWHRSA-N 1 0 268.279 0.927 10 0 CCAERO CC[C@H](COC)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653064891 412207045 /nfs/dbraw/zinc/20/70/45/412207045.db2.gz JXEMFWUXHUBRKX-IWSPIJDZSA-N 1 0 268.279 0.926 10 0 CCAERO COC[C@@H](C)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653079475 412209762 /nfs/dbraw/zinc/20/97/62/412209762.db2.gz BFOZZAFTPWNSQT-DJLDLDEBSA-N 1 0 268.279 0.783 10 0 CCAERO CC[C@H](O)CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653083592 412212624 /nfs/dbraw/zinc/21/26/24/412212624.db2.gz CGZMUSPOAMSLTP-DJLDLDEBSA-N 1 0 268.279 0.662 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000653138782 412238811 /nfs/dbraw/zinc/23/88/11/412238811.db2.gz JTTYJGOABQBLOO-SJHCENCUSA-N 1 0 250.342 0.285 10 0 CCAERO CCN(C)C(=O)[C@@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653160812 412246297 /nfs/dbraw/zinc/24/62/97/412246297.db2.gz XXRAUJIYFOXDHW-IWSPIJDZSA-N 1 0 295.305 0.367 10 0 CCAERO C[N@@H+]1CC[C@H]2OCCN(CC(=O)Nc3nccs3)[C@H]2C1 ZINC000284985073 196171355 /nfs/dbraw/zinc/17/13/55/196171355.db2.gz XQPOEDCPIRRSNZ-WDEREUQCSA-N 1 0 296.396 0.487 10 0 CCAERO O=c1c2ccsc2ncn1C[C@H](O)C[NH2+]C1CC1 ZINC000034978597 171911768 /nfs/dbraw/zinc/91/17/68/171911768.db2.gz BUPTWMOEVHITLV-SECBINFHSA-N 1 0 265.338 0.571 10 0 CCAERO CC[NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C ZINC000035161795 172021249 /nfs/dbraw/zinc/02/12/49/172021249.db2.gz QTUHHZYLUKNKRC-NSHDSACASA-N 1 0 271.386 0.969 10 0 CCAERO NS(=O)(=O)c1ccccc1N[C@H]1C[NH+]2CCC1CC2 ZINC000035353396 172144114 /nfs/dbraw/zinc/14/41/14/172144114.db2.gz IZWXXLHVIKFJHX-LBPRGKRZSA-N 1 0 281.381 0.840 10 0 CCAERO C[NH2+][C@@H](C)c1cccc(S(=O)(=O)NCCOC)c1 ZINC000035632837 172315753 /nfs/dbraw/zinc/31/57/53/172315753.db2.gz PBKSQBFJYFRBQD-JTQLQIEISA-N 1 0 272.370 0.892 10 0 CCAERO COc1cc(C[NH3+])cc(OC)c1OC[C@H](C)C(N)=O ZINC000035662969 172340902 /nfs/dbraw/zinc/34/09/02/172340902.db2.gz GNUKIURSLORLJE-QMMMGPOBSA-N 1 0 268.313 0.663 10 0 CCAERO CCCNC(=O)CNC(=O)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000035663406 172341697 /nfs/dbraw/zinc/34/16/97/172341697.db2.gz RVSJHALUMLIDOK-GRYCIOLGSA-N 1 0 267.373 0.550 10 0 CCAERO O=S(=O)(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cc[nH]c1 ZINC000036266138 172561427 /nfs/dbraw/zinc/56/14/27/172561427.db2.gz JHBCBPNAVKYQBE-SNVBAGLBSA-N 1 0 269.370 0.968 10 0 CCAERO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CCOCC1 ZINC000036287331 172582883 /nfs/dbraw/zinc/58/28/83/172582883.db2.gz YJXBLSRHPYXMPX-YNEHKIRRSA-N 1 0 252.358 0.917 10 0 CCAERO COc1ccccc1[C@@H](C)[NH2+]CCS(N)(=O)=O ZINC000036745379 172673384 /nfs/dbraw/zinc/67/33/84/172673384.db2.gz ZFJKWDWUSXWDKS-SECBINFHSA-N 1 0 258.343 0.634 10 0 CCAERO CCNS(=O)(=O)c1ccccc1NC(=O)[C@@H](C)[NH3+] ZINC000037028399 172893382 /nfs/dbraw/zinc/89/33/82/172893382.db2.gz RTDDLKMFLRPOHE-MRVPVSSYSA-N 1 0 271.342 0.271 10 0 CCAERO C[N@@H+]1CC[C@@H]2OCCN(C(=O)Cc3ccc(O)cc3)[C@@H]2C1 ZINC000285702311 196371402 /nfs/dbraw/zinc/37/14/02/196371402.db2.gz IVDYTTADQMTGFI-CABCVRRESA-N 1 0 290.363 0.866 10 0 CCAERO CC[NH2+][C@](C)(C(N)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000037447621 173214840 /nfs/dbraw/zinc/21/48/40/173214840.db2.gz VWJXQOXDZJNTQY-LBPRGKRZSA-N 1 0 270.354 0.400 10 0 CCAERO CC[NH2+][C@@](C)(C(N)=O)c1ccc2c(c1)OCCO2 ZINC000037447530 173215162 /nfs/dbraw/zinc/21/51/62/173215162.db2.gz YWSVWYUQWOCXMM-CYBMUJFWSA-N 1 0 250.298 0.768 10 0 CCAERO CCN([C@H](C)C(=O)NCCOC)C1CC[NH2+]CC1 ZINC000037538754 173258964 /nfs/dbraw/zinc/25/89/64/173258964.db2.gz ZDQKVZUZZPZSCC-LLVKDONJSA-N 1 0 257.378 0.211 10 0 CCAERO CCCN([C@@H](C)C(=O)NC(N)=O)C1CC[NH2+]CC1 ZINC000037539328 173260116 /nfs/dbraw/zinc/26/01/16/173260116.db2.gz KHYQOEIWFQDPIO-VIFPVBQESA-N 1 0 256.350 0.034 10 0 CCAERO COCCNC(=O)[C@@H](C)Oc1cccc(CC[NH3+])c1 ZINC000037721284 173639351 /nfs/dbraw/zinc/63/93/51/173639351.db2.gz ZEMLORIINIDGOF-LLVKDONJSA-N 1 0 266.341 0.718 10 0 CCAERO COC(=O)[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])CC(C)C ZINC000037804388 173744125 /nfs/dbraw/zinc/74/41/25/173744125.db2.gz KOCKWSWXPOMXNN-QWRGUYRKSA-N 1 0 256.346 0.914 10 0 CCAERO CNC(=O)NC1CC[NH+](C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000660810334 414487953 /nfs/dbraw/zinc/48/79/53/414487953.db2.gz MQHCEGMKGKKGGP-YPMHNXCESA-N 1 0 269.389 0.931 10 0 CCAERO O=S(=O)(N1CCCC1)N1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000037916378 173851565 /nfs/dbraw/zinc/85/15/65/173851565.db2.gz ICIGBDVCRGKKLX-CHWSQXEVSA-N 1 0 287.429 0.791 10 0 CCAERO COC(=O)[C@H](c1ccc(OC)cc1)N1CC[NH2+]CC1 ZINC000037963878 173907521 /nfs/dbraw/zinc/90/75/21/173907521.db2.gz OWRAQAUMHFZTQI-ZDUSSCGKSA-N 1 0 264.325 0.815 10 0 CCAERO CN(CC(=O)N1CC[NH2+]CC1)Cc1ccc2c(c1)OCO2 ZINC000038031119 174024404 /nfs/dbraw/zinc/02/44/04/174024404.db2.gz MALWMYCELOIQLR-UHFFFAOYSA-N 1 0 291.351 0.279 10 0 CCAERO CC[C@H](O)C[NH2+]CCCN(CC)S(C)(=O)=O ZINC000038035652 174034007 /nfs/dbraw/zinc/03/40/07/174034007.db2.gz DAAPGFIBLIVPCY-JTQLQIEISA-N 1 0 252.380 0.019 10 0 CCAERO Cc1ccc(NC2CC[NH2+]CC2)cc1S(N)(=O)=O ZINC000038040669 174040864 /nfs/dbraw/zinc/04/08/64/174040864.db2.gz IMLMEOCEERQILN-UHFFFAOYSA-N 1 0 269.370 0.806 10 0 CCAERO O=C(NCc1ccncc1)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000038042999 174048300 /nfs/dbraw/zinc/04/83/00/174048300.db2.gz TUYWUUPEKQYVGW-HNNXBMFYSA-N 1 0 288.395 0.914 10 0 CCAERO CCCCN(CCO)C(=O)[C@H]1CCCN1C1CC[NH2+]CC1 ZINC000038043312 174049877 /nfs/dbraw/zinc/04/98/77/174049877.db2.gz WZWIAQQSQQNFHB-OAHLLOKOSA-N 1 0 297.443 0.824 10 0 CCAERO O=C([C@H]1CCCN1C1CC[NH2+]CC1)N(CCO)C1CC1 ZINC000038043233 174049938 /nfs/dbraw/zinc/04/99/38/174049938.db2.gz PEMLXCRQNLTRND-CQSZACIVSA-N 1 0 281.400 0.186 10 0 CCAERO [NH3+][C@@H]1CCCC[C@@H]1NS(=O)(=O)CCc1ccncc1 ZINC000038050219 174061590 /nfs/dbraw/zinc/06/15/90/174061590.db2.gz LABJNFCRDWPEAE-OLZOCXBDSA-N 1 0 283.397 0.813 10 0 CCAERO Cc1noc(C)c1S(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000038050380 174061816 /nfs/dbraw/zinc/06/18/16/174061816.db2.gz JCIZTJAOCDHDTD-VHSXEESVSA-N 1 0 273.358 0.840 10 0 CCAERO NC(=O)c1ccccc1C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000038084181 174094345 /nfs/dbraw/zinc/09/43/45/174094345.db2.gz WBFFQHJOQJLECD-SNVBAGLBSA-N 1 0 282.365 0.310 10 0 CCAERO [NH3+]CCc1ccc(O[C@H]2CCS(=O)(=O)C2)cc1 ZINC000038084355 174094611 /nfs/dbraw/zinc/09/46/11/174094611.db2.gz KKDRXBSBKRGULR-LBPRGKRZSA-N 1 0 255.339 0.754 10 0 CCAERO NC(=[NH2+])Cc1ccc(O[C@H]2CCS(=O)(=O)C2)cc1 ZINC000038084912 174095023 /nfs/dbraw/zinc/09/50/23/174095023.db2.gz IQOAOAZLIUVWBJ-NSHDSACASA-N 1 0 268.338 0.731 10 0 CCAERO CCCCOCCOC[C@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC000038094487 174108216 /nfs/dbraw/zinc/10/82/16/174108216.db2.gz WLZGTCAAVGBOOS-UONOGXRCSA-N 1 0 275.389 0.807 10 0 CCAERO CN(C)[C@@H](CNC(=O)[C@@H]1CCC[NH2+]1)c1ccco1 ZINC000040430432 174259799 /nfs/dbraw/zinc/25/97/99/174259799.db2.gz DIKKJIPIMWMJDW-QWRGUYRKSA-N 1 0 251.330 0.751 10 0 CCAERO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC(N)=O)cc1OC ZINC000040447365 174265209 /nfs/dbraw/zinc/26/52/09/174265209.db2.gz JFNLZKGMEJKTJD-RKDXNWHRSA-N 1 0 295.339 0.938 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)C1CCC2(CC2)CC1 ZINC000662563454 414728766 /nfs/dbraw/zinc/72/87/66/414728766.db2.gz PECNXGHTUSAUPJ-NEPJUHHUSA-N 1 0 252.358 0.653 10 0 CCAERO CN1C[C@@H](CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1=O ZINC000662695283 414742378 /nfs/dbraw/zinc/74/23/78/414742378.db2.gz YUGHEJRTLNNTEY-OUAUKWLOSA-N 1 0 253.346 0.098 10 0 CCAERO CN1C[C@H](CNC(=O)C[C@H]([NH3+])c2ccccc2)CC1=O ZINC000662694752 414742384 /nfs/dbraw/zinc/74/23/84/414742384.db2.gz CCKYLMLTGPMALR-AAEUAGOBSA-N 1 0 275.352 0.671 10 0 CCAERO CN1C[C@H](CNC(=O)[C@@]2(C)CCCC[NH2+]2)CC1=O ZINC000662695041 414742679 /nfs/dbraw/zinc/74/26/79/414742679.db2.gz WREWYHMOTOYAQJ-GXFFZTMASA-N 1 0 253.346 0.113 10 0 CCAERO COC[C@@]1(C(=O)N[C@H](CO)C2CCC2)CCC[NH2+]1 ZINC000662855292 414847615 /nfs/dbraw/zinc/84/76/15/414847615.db2.gz WHPCUQMKAPFTPS-DGCLKSJQSA-N 1 0 256.346 0.032 10 0 CCAERO CN(C(=O)C[C@H]1CCOC1)[C@H](C[NH3+])C(F)(F)F ZINC000662980257 414931545 /nfs/dbraw/zinc/93/15/45/414931545.db2.gz OYTLQMBYZDKCTJ-HTQZYQBOSA-N 1 0 254.252 0.761 10 0 CCAERO Cc1nccc(C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)n1 ZINC000662978055 414931689 /nfs/dbraw/zinc/93/16/89/414931689.db2.gz CSTYMYUCUFTAKX-QMMMGPOBSA-N 1 0 262.235 0.747 10 0 CCAERO CN(C(=O)c1cc[nH]c(=O)c1)[C@@H](C[NH3+])C(F)(F)F ZINC000662981429 414932207 /nfs/dbraw/zinc/93/22/07/414932207.db2.gz DOAHKLASTAXFQX-ZETCQYMHSA-N 1 0 263.219 0.749 10 0 CCAERO C[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CCOC2)C[C@H](C)O1 ZINC000662888657 414871820 /nfs/dbraw/zinc/87/18/20/414871820.db2.gz CIZGVIFMZOYFPR-WOPDTQHZSA-N 1 0 256.346 0.248 10 0 CCAERO CCCO[C@@H]1CCCN(S(=O)(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000042425718 174725086 /nfs/dbraw/zinc/72/50/86/174725086.db2.gz HGWPVTZXICGHDA-QWHCGFSZSA-N 1 0 290.429 0.959 10 0 CCAERO C[C@@H](C[N@H+](C)CC(=O)NC1CCCC1)C(N)=S ZINC000042457494 174748462 /nfs/dbraw/zinc/74/84/62/174748462.db2.gz JCUQNNXTMCQLHV-VIFPVBQESA-N 1 0 257.403 0.899 10 0 CCAERO CC(C)N(C)S(=O)(=O)N=c1[nH]c2c(s1)C[NH2+]CC2 ZINC000042520535 174771675 /nfs/dbraw/zinc/77/16/75/174771675.db2.gz ISAVDHZKKICKAF-UHFFFAOYSA-N 1 0 290.414 0.786 10 0 CCAERO CC(C)OCCOC[C@H](O)C[NH2+]C[C@H]1CCCCO1 ZINC000042819336 174886807 /nfs/dbraw/zinc/88/68/07/174886807.db2.gz FWJQBJQZPGLCMR-ZIAGYGMSSA-N 1 0 275.389 0.948 10 0 CCAERO CCCc1nccnc1N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000663271663 415031992 /nfs/dbraw/zinc/03/19/92/415031992.db2.gz FAEFZHHMUWEBAN-PWSUYJOCSA-N 1 0 250.346 0.982 10 0 CCAERO O=C1NC2(CCCC2)C(=O)N1C[C@H]1CCC[NH2+]C1 ZINC000043493730 175057573 /nfs/dbraw/zinc/05/75/73/175057573.db2.gz AOLPUIPJTCIELA-JTQLQIEISA-N 1 0 251.330 0.851 10 0 CCAERO CN(C[C@H]1[NH2+]CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000043596099 175076875 /nfs/dbraw/zinc/07/68/75/175076875.db2.gz DCIASKYBZRTDAR-UKRRQHHQSA-N 1 0 294.420 0.992 10 0 CCAERO O=S1(=O)N=C(NCC2CC[NH2+]CC2)c2ccccc21 ZINC000044509253 175187200 /nfs/dbraw/zinc/18/72/00/175187200.db2.gz GGYCNSFMHNEAEZ-UHFFFAOYSA-N 1 0 279.365 0.725 10 0 CCAERO [NH3+]CC1(C(=O)NC2CCS(=O)(=O)CC2)CCCC1 ZINC000044762949 175247082 /nfs/dbraw/zinc/24/70/82/175247082.db2.gz NBRZRMWCPUDSIP-UHFFFAOYSA-N 1 0 274.386 0.199 10 0 CCAERO CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1cc[nH+]cc1C ZINC000664269598 415320555 /nfs/dbraw/zinc/32/05/55/415320555.db2.gz CQARUXFISUYYLA-WDEREUQCSA-N 1 0 256.327 0.036 10 0 CCAERO CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1cc[nH+]cc1C ZINC000664269596 415321566 /nfs/dbraw/zinc/32/15/66/415321566.db2.gz CQARUXFISUYYLA-QWRGUYRKSA-N 1 0 256.327 0.036 10 0 CCAERO Cn1c2ccc([C@H](O)[C@@H]3CCC[NH2+]C3)cc2n(C)c1=O ZINC000070522225 175967699 /nfs/dbraw/zinc/96/76/99/175967699.db2.gz LJBGMIQTKVJCGP-RISCZKNCSA-N 1 0 275.352 0.910 10 0 CCAERO COCCCNC(=O)[C@H](C)N(CC[NH3+])C1CCCC1 ZINC000070975453 176018021 /nfs/dbraw/zinc/01/80/21/176018021.db2.gz JVBGFURXWIVOGM-LBPRGKRZSA-N 1 0 271.405 0.731 10 0 CCAERO Cc1nn(C)c(N(C)C[C@H]2CC[N@H+](C)C2)c1C=O ZINC000071189470 176064581 /nfs/dbraw/zinc/06/45/81/176064581.db2.gz OVJFJTWEYSNVPW-NSHDSACASA-N 1 0 250.346 0.929 10 0 CCAERO COCCCS(=O)(=O)N1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000071235721 176093399 /nfs/dbraw/zinc/09/33/99/176093399.db2.gz RYFCRUKILDRRSB-CYBMUJFWSA-N 1 0 290.429 0.817 10 0 CCAERO CC[C@@H](C)NC(=O)[C@H](C)Sc1nnc(C[NH3+])n1C ZINC000071373714 176139104 /nfs/dbraw/zinc/13/91/04/176139104.db2.gz AGJZFBDMWREUOP-SFYZADRCSA-N 1 0 271.390 0.669 10 0 CCAERO CCn1c(C[NH3+])nnc1SCC(=O)OC(C)C ZINC000071374948 176140630 /nfs/dbraw/zinc/14/06/30/176140630.db2.gz RYWNXFYNBSQCSV-UHFFFAOYSA-N 1 0 258.347 0.800 10 0 CCAERO COc1cccc(CC[C@H](CO)N2CC[NH2+]CC2)c1 ZINC000071596937 176219908 /nfs/dbraw/zinc/21/99/08/176219908.db2.gz IMHUUBODESMTEB-CQSZACIVSA-N 1 0 264.369 0.894 10 0 CCAERO COc1ccccc1CC[C@H](CO)N1CC[NH2+]CC1 ZINC000071596935 176220187 /nfs/dbraw/zinc/22/01/87/176220187.db2.gz BPYRZIMVRRJDOC-CQSZACIVSA-N 1 0 264.369 0.894 10 0 CCAERO C[NH2+]CCC(=O)OCc1ccc2c(c1)NC(=O)CO2 ZINC000076366116 177004427 /nfs/dbraw/zinc/00/44/27/177004427.db2.gz JKLCUXCYEIEPDK-UHFFFAOYSA-N 1 0 264.281 0.670 10 0 CCAERO CCCN(CC[NH3+])S(=O)(=O)c1c(C)noc1C ZINC000076672521 177054236 /nfs/dbraw/zinc/05/42/36/177054236.db2.gz LWGTUJVHGRMUNC-UHFFFAOYSA-N 1 0 261.347 0.651 10 0 CCAERO [NH3+]C[C@@H](CC(=O)NC[C@H]1CCCO1)c1ccccn1 ZINC000076678202 177056964 /nfs/dbraw/zinc/05/69/64/177056964.db2.gz HAQVEVKZUYFHRM-VXGBXAGGSA-N 1 0 263.341 0.809 10 0 CCAERO CCOC(=O)N1CCN(C(=O)C2(C[NH3+])CC2)CC1 ZINC000077610340 177286529 /nfs/dbraw/zinc/28/65/29/177286529.db2.gz QOKCJYJLURDXNX-UHFFFAOYSA-N 1 0 255.318 0.026 10 0 CCAERO CCCCCN1C[C@@H](CN2CC[NH2+]CC2)OC1=O ZINC000077610811 177286900 /nfs/dbraw/zinc/28/69/00/177286900.db2.gz DLLPZAJPYGSKDO-GFCCVEGCSA-N 1 0 255.362 0.903 10 0 CCAERO CS(=O)(=O)c1cnn(-c2cccc(F)c2C(N)=[NH2+])c1 ZINC000725250979 545875256 /nfs/dbraw/zinc/87/52/56/545875256.db2.gz BVZHRVPXYPXTSM-UHFFFAOYSA-N 1 0 282.300 0.699 10 0 CCAERO C[C@H]([NH3+])[C@H](c1ccccn1)n1cc(S(C)(=O)=O)cn1 ZINC000725252561 545877607 /nfs/dbraw/zinc/87/76/07/545877607.db2.gz NHBLNJKQWZUAEX-JOYOIKCWSA-N 1 0 280.353 0.618 10 0 CCAERO CC(C)C[C@@H]([NH3+])[C@H](CO)n1cc(S(C)(=O)=O)cn1 ZINC000725253436 545878182 /nfs/dbraw/zinc/87/81/82/545878182.db2.gz VIQHAYLNALDLOE-MNOVXSKESA-N 1 0 275.374 0.193 10 0 CCAERO CS(=O)(=O)c1cnn(-c2ncccc2C[NH3+])c1 ZINC000725253559 545878728 /nfs/dbraw/zinc/87/87/28/545878728.db2.gz XDBKCGUSULGJEJ-UHFFFAOYSA-N 1 0 252.299 0.130 10 0 CCAERO CSCCCn1nnc(C[NH3+])c1-c1ccnn1C ZINC000725256822 545880245 /nfs/dbraw/zinc/88/02/45/545880245.db2.gz AKLAAOIEXQTCNX-UHFFFAOYSA-N 1 0 266.374 0.890 10 0 CCAERO C[C@H]([NH3+])[C@H](c1ccco1)n1cc(S(C)(=O)=O)cn1 ZINC000725252568 545878949 /nfs/dbraw/zinc/87/89/49/545878949.db2.gz NJJGQHUMXLYYBS-GZMMTYOYSA-N 1 0 269.326 0.816 10 0 CCAERO COCCO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC000725255467 545879585 /nfs/dbraw/zinc/87/95/85/545879585.db2.gz SNGFMTIYVRPTTP-UWVGGRQHSA-N 1 0 260.334 0.596 10 0 CCAERO C[NH2+][C@H](C)C(=O)N(CCOC)Cc1ccccn1 ZINC000054075516 544441523 /nfs/dbraw/zinc/44/15/23/544441523.db2.gz PRMADTGXQDRQKP-LLVKDONJSA-N 1 0 251.330 0.665 10 0 CCAERO CN1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])C(C)(C)C1=O ZINC000094866187 544547123 /nfs/dbraw/zinc/54/71/23/544547123.db2.gz XSQPCJLOQWTNND-WDEREUQCSA-N 1 0 267.373 0.441 10 0 CCAERO CS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])cn1 ZINC000089451685 544512749 /nfs/dbraw/zinc/51/27/49/544512749.db2.gz YQPHYEUZBNUVDS-GXSJLCMTSA-N 1 0 297.380 0.799 10 0 CCAERO NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089449309 544513533 /nfs/dbraw/zinc/51/35/33/544513533.db2.gz XRYRZZSSIKHCGM-JOYOIKCWSA-N 1 0 297.380 0.648 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000089462811 544514222 /nfs/dbraw/zinc/51/42/22/544514222.db2.gz FCBQKTZDEQLQJC-AXFHLTTASA-N 1 0 274.386 0.055 10 0 CCAERO CCc1cc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])n(C)n1 ZINC000090125130 544519613 /nfs/dbraw/zinc/51/96/13/544519613.db2.gz OKGHIIKWGOUJTP-MWLCHTKSSA-N 1 0 250.346 0.840 10 0 CCAERO O=C(COC[C@@H]1CCOC1)NC1CC[NH+](C2CC2)CC1 ZINC000117748543 544565729 /nfs/dbraw/zinc/56/57/29/544565729.db2.gz HGJMKWJRBDCCHW-GFCCVEGCSA-N 1 0 282.384 0.783 10 0 CCAERO CCCOc1nccnc1NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000630513041 419461329 /nfs/dbraw/zinc/46/13/29/419461329.db2.gz OIWTUXVOZDVWKX-UWVGGRQHSA-N 1 0 252.318 0.258 10 0 CCAERO COCC[N@@H+]1CCN(Cc2cncnc2)C[C@H]1C ZINC000120775286 544572337 /nfs/dbraw/zinc/57/23/37/544572337.db2.gz YFGDJIDUBCHLBS-GFCCVEGCSA-N 1 0 250.346 0.629 10 0 CCAERO CC[C@H](O)C[NH+]1CCN(Cc2cncnc2)CC1 ZINC000123465797 544583731 /nfs/dbraw/zinc/58/37/31/544583731.db2.gz XJWNFMZQWQARRC-ZDUSSCGKSA-N 1 0 250.346 0.365 10 0 CCAERO O[C@H](CNCC1=CCCOC1)C[NH+]1CCCCC1 ZINC000126743095 544598589 /nfs/dbraw/zinc/59/85/89/544598589.db2.gz MRQSKZDZAZIUGW-CQSZACIVSA-N 1 0 254.374 0.770 10 0 CCAERO CCOc1cc(N2CCO[C@H]([C@@H](C)[NH3+])C2)nc(C)n1 ZINC000132893060 544622733 /nfs/dbraw/zinc/62/27/33/544622733.db2.gz HTENYQRLLNTJJI-KOLCDFICSA-N 1 0 266.345 0.736 10 0 CCAERO CC[C@H](O)CC[NH2+]C[C@@H](O)COCc1ccco1 ZINC000135051850 544632955 /nfs/dbraw/zinc/63/29/55/544632955.db2.gz MASQYXGZROSICV-NWDGAFQWSA-N 1 0 257.330 0.908 10 0 CCAERO CC[NH+](CC)CCCNC(=O)N1CCC[C@@H]1C(=O)NC ZINC000154895408 544671896 /nfs/dbraw/zinc/67/18/96/544671896.db2.gz WRUVYSCQRVXZCW-GFCCVEGCSA-N 1 0 284.404 0.638 10 0 CCAERO CC[NH+](CC)Cc1ccc(C(=O)N2CCO[C@H](CO)C2)o1 ZINC000167423638 544727351 /nfs/dbraw/zinc/72/73/51/544727351.db2.gz ZXIBEMIBBUYJEI-ZDUSSCGKSA-N 1 0 296.367 0.955 10 0 CCAERO CC[C@H]1CN(C(=O)c2ccc(C[NH3+])o2)CCN1CCOC ZINC000168062679 544728164 /nfs/dbraw/zinc/72/81/64/544728164.db2.gz TYALXQMVJOUIMZ-LBPRGKRZSA-N 1 0 295.383 0.921 10 0 CCAERO CC(C)(C(=O)NCC[C@H]1CCCCO1)N1CC[NH2+]CC1 ZINC000224074705 544825595 /nfs/dbraw/zinc/82/55/95/544825595.db2.gz ZYHXWBLAMBUKDX-CYBMUJFWSA-N 1 0 283.416 0.746 10 0 CCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000223909093 544826373 /nfs/dbraw/zinc/82/63/73/544826373.db2.gz SIGBWJKNJOIWEM-IJLUTSLNSA-N 1 0 262.357 0.971 10 0 CCAERO CCOc1cnc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)cn1 ZINC000189641530 544790451 /nfs/dbraw/zinc/79/04/51/544790451.db2.gz JAKVLIRUZPXQJK-LLVKDONJSA-N 1 0 294.355 0.278 10 0 CCAERO CCn1cnnc1CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000227432534 544833927 /nfs/dbraw/zinc/83/39/27/544833927.db2.gz UTKYGYRBPKDOHL-ZJUUUORDSA-N 1 0 251.334 0.289 10 0 CCAERO CCCCOC[C@@H](O)C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000227891267 544839231 /nfs/dbraw/zinc/83/92/31/544839231.db2.gz UKNAFNFIRFKIJD-JSGCOSHPSA-N 1 0 256.390 0.990 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H](C)C(=O)N1CCCC1 ZINC000228123135 544842180 /nfs/dbraw/zinc/84/21/80/544842180.db2.gz BOHQEBOOYXBSPU-WDEREUQCSA-N 1 0 255.362 0.487 10 0 CCAERO CNC(=O)C(C)(C)CNC(=O)C1CCC([NH3+])CC1 ZINC000230394028 544853990 /nfs/dbraw/zinc/85/39/90/544853990.db2.gz PDJFPFHYNXXPAV-UHFFFAOYSA-N 1 0 255.362 0.392 10 0 CCAERO CCC[C@H]([NH3+])C(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000232016941 544861986 /nfs/dbraw/zinc/86/19/86/544861986.db2.gz WPYUHOJSEGUSNZ-DCAQKATOSA-N 1 0 253.346 0.241 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@@](C)(C(N)=O)C1 ZINC000235305887 544874595 /nfs/dbraw/zinc/87/45/95/544874595.db2.gz HZSCTVZDYIPODL-OPQQBVKSSA-N 1 0 253.346 0.098 10 0 CCAERO C[C@@]1(C(N)=O)CCN(C(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000235422205 544875133 /nfs/dbraw/zinc/87/51/33/544875133.db2.gz JJHSDPYCUFAPBP-OLZOCXBDSA-N 1 0 253.346 0.243 10 0 CCAERO C[C@]1(C(N)=O)CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000235730583 544876763 /nfs/dbraw/zinc/87/67/63/544876763.db2.gz JJHSDPYCUFAPBP-QWHCGFSZSA-N 1 0 253.346 0.243 10 0 CCAERO C[NH+]1CCN(CCNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000250418933 544922817 /nfs/dbraw/zinc/92/28/17/544922817.db2.gz YSCSKXHMPSRGBJ-CLLJXQQHSA-N 1 0 251.374 0.396 10 0 CCAERO [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)C1 ZINC000250634970 544924043 /nfs/dbraw/zinc/92/40/43/544924043.db2.gz FIOQEJBMCLNHMR-WUHRBBMRSA-N 1 0 279.384 0.631 10 0 CCAERO O=C(Cc1ccc(F)cc1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262057473 544937497 /nfs/dbraw/zinc/93/74/97/544937497.db2.gz AQSBEFSGVPGWHW-CMPLNLGQSA-N 1 0 252.289 0.065 10 0 CCAERO O[C@@H]1C[NH2+]C[C@H]1CNCc1c[nH]nc1-c1ccc(F)cc1 ZINC000262098262 544939244 /nfs/dbraw/zinc/93/92/44/544939244.db2.gz IIBSIYGIGXBFNQ-BXUZGUMPSA-N 1 0 290.342 0.886 10 0 CCAERO Cc1nc2ccccn2c1CNC[C@@H]1C[NH2+]C[C@H]1O ZINC000262093646 544939892 /nfs/dbraw/zinc/93/98/92/544939892.db2.gz HIMGVKNCCNMMAM-DGCLKSJQSA-N 1 0 260.341 0.313 10 0 CCAERO CCOc1ccccc1CNC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262127969 544941154 /nfs/dbraw/zinc/94/11/54/544941154.db2.gz NIVKAGINWVEMHD-OLZOCXBDSA-N 1 0 250.342 0.755 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1c(F)c(F)cc(F)c1F ZINC000262106999 544941244 /nfs/dbraw/zinc/94/12/44/544941244.db2.gz FCPRWWCGPBFSMW-SVGQVSJJSA-N 1 0 292.232 0.553 10 0 CCAERO Cc1ccc(OCC(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1C ZINC000262113071 544941248 /nfs/dbraw/zinc/94/12/48/544941248.db2.gz FMQBOMDIEVCWMU-TZMCWYRMSA-N 1 0 278.352 0.379 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[C@](C)(C(N)=O)C1 ZINC000300529054 544980224 /nfs/dbraw/zinc/98/02/24/544980224.db2.gz HZSCTVZDYIPODL-KWBADKCTSA-N 1 0 253.346 0.098 10 0 CCAERO O=C(CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)NCC1CC1 ZINC000333856408 545043672 /nfs/dbraw/zinc/04/36/72/545043672.db2.gz YIRHIZZPQBFOJV-OAHLLOKOSA-N 1 0 294.399 0.298 10 0 CCAERO C[C@@H](NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)c1cccs1 ZINC000333912678 545044421 /nfs/dbraw/zinc/04/44/21/545044421.db2.gz LXUDGDJQNSQZFT-UTLUCORTSA-N 1 0 269.370 0.783 10 0 CCAERO CC(C)(C)[C@@H](O)CNC(=O)COC1CC[NH2+]CC1 ZINC000324340591 545016614 /nfs/dbraw/zinc/01/66/14/545016614.db2.gz MPSRKBCTEWFFLN-NSHDSACASA-N 1 0 258.362 0.278 10 0 CCAERO CC(C)(C)[C@@H](O)CNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000324563650 545016685 /nfs/dbraw/zinc/01/66/85/545016685.db2.gz ZHOJGSJREOXMDN-NSHDSACASA-N 1 0 271.405 0.193 10 0 CCAERO Cn1cc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)nn1 ZINC000328876261 545019457 /nfs/dbraw/zinc/01/94/57/545019457.db2.gz KAMAHQRVLYJBLM-LLVKDONJSA-N 1 0 273.344 0.364 10 0 CCAERO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000329231431 545021229 /nfs/dbraw/zinc/02/12/29/545021229.db2.gz KPPLXTWAUMLAFD-ITGHMWBKSA-N 1 0 282.384 0.325 10 0 CCAERO O=C(N1CCCC1)[C@]1(O)CCC[N@@H+]([C@@H]2CCOC2)C1 ZINC000329207410 545021261 /nfs/dbraw/zinc/02/12/61/545021261.db2.gz XREZCIYYLSRPCQ-OCCSQVGLSA-N 1 0 268.357 0.225 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCO[C@@H]1C ZINC000332767761 545033610 /nfs/dbraw/zinc/03/36/10/545033610.db2.gz FURRUWYFTKJALU-UTUOFQBUSA-N 1 0 255.362 0.947 10 0 CCAERO CC(C)n1[nH]cnc1=NC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000333597672 545040602 /nfs/dbraw/zinc/04/06/02/545040602.db2.gz PGTZPGQMQFRYRV-NWDGAFQWSA-N 1 0 292.387 0.981 10 0 CCAERO CCO[C@@H]1C[C@H](NC(=O)N2CCC[C@H]([NH3+])C2)[C@@]12CCCO2 ZINC000333728505 545042358 /nfs/dbraw/zinc/04/23/58/545042358.db2.gz HKLNUFLRDFPRTI-XPCVCDNBSA-N 1 0 297.399 0.846 10 0 CCAERO CCOc1cc(NC[C@@H]2C[NH2+]CCCO2)ncn1 ZINC000390135748 262136999 /nfs/dbraw/zinc/13/69/99/262136999.db2.gz RKUIAPMCMOAWFE-JTQLQIEISA-N 1 0 252.318 0.666 10 0 CCAERO CC[C@@H](O)C[NH+]1CCN(CCOCC(F)F)CC1 ZINC000189449049 262171699 /nfs/dbraw/zinc/17/16/99/262171699.db2.gz VOJQQYYMOZATEH-LLVKDONJSA-N 1 0 266.332 0.657 10 0 CCAERO O=C1NCC[C@@H]1[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000245683688 275023559 /nfs/dbraw/zinc/02/35/59/275023559.db2.gz LSRSZFCSXWFHQW-RYUDHWBXSA-N 1 0 285.351 0.797 10 0 CCAERO CC(=O)N1CC[C@H](C(=O)N2CC[C@H](C)C[C@H]2C[NH3+])C1 ZINC000261856997 275466716 /nfs/dbraw/zinc/46/67/16/275466716.db2.gz QYXMLPVWCNVUQZ-DRZSPHRISA-N 1 0 267.373 0.441 10 0 CCAERO CC(C)Cn1ncnc1CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000182760881 275605156 /nfs/dbraw/zinc/60/51/56/275605156.db2.gz JOZLJNHZWNOJPU-ZDUSSCGKSA-N 1 0 281.404 0.697 10 0 CCAERO CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H]1CN(C)CCO1 ZINC000336807845 275672590 /nfs/dbraw/zinc/67/25/90/275672590.db2.gz NKGMYYUQZJHDIV-UONOGXRCSA-N 1 0 266.389 0.828 10 0 CCAERO CCOC(=O)CCN1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000247025651 276277412 /nfs/dbraw/zinc/27/74/12/276277412.db2.gz CWMAOVNMKCPUPK-NEPJUHHUSA-N 1 0 258.362 0.327 10 0 CCAERO C[NH+](C)C[C@@H]1CN(c2cc(=O)n3ccccc3n2)CCO1 ZINC000108951902 276799013 /nfs/dbraw/zinc/79/90/13/276799013.db2.gz GYNUTOKIAHGDPF-GFCCVEGCSA-N 1 0 288.351 0.461 10 0 CCAERO CN1CCC[N@@H+]([C@@H]2Cc3ccccc3[C@@H]2O)CC1=O ZINC000191107861 277052557 /nfs/dbraw/zinc/05/25/57/277052557.db2.gz FFKCSTVCALRTET-HIFRSBDPSA-N 1 0 260.337 0.809 10 0 CCAERO CN1CCO[C@H](C(=O)N2CCC[N@@H+](C3CC3)CC2)C1 ZINC000081306592 277125925 /nfs/dbraw/zinc/12/59/25/277125925.db2.gz NKNIMMLXWLCJEH-ZDUSSCGKSA-N 1 0 267.373 0.014 10 0 CCAERO C[NH2+][C@@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 ZINC000053204700 277295049 /nfs/dbraw/zinc/29/50/49/277295049.db2.gz OWJUSJGILLVAOM-SNVBAGLBSA-N 1 0 279.365 0.819 10 0 CCAERO CSCC[C@@H]([NH3+])C(=O)N1CCCC2(C1)OCCO2 ZINC000157777035 277511355 /nfs/dbraw/zinc/51/13/55/277511355.db2.gz IRWQFHDEBVKHCN-SNVBAGLBSA-N 1 0 274.386 0.432 10 0 CCAERO C[C@@H](CO)C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000086628972 277589199 /nfs/dbraw/zinc/58/91/99/277589199.db2.gz KRPKVYIVTFDJIR-NXEZZACHSA-N 1 0 272.370 0.613 10 0 CCAERO C[NH2+][C@H](C)CNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000381707859 545084691 /nfs/dbraw/zinc/08/46/91/545084691.db2.gz DMTIRODLFBHIGB-SSDOTTSWSA-N 1 0 284.341 0.155 10 0 CCAERO C[C@@H]1CCN(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)C[C@@H]1O ZINC000341619734 277741087 /nfs/dbraw/zinc/74/10/87/277741087.db2.gz SJJLOZHQBKEJCP-NDBYEHHHSA-N 1 0 269.389 0.881 10 0 CCAERO C[C@@H]1C[C@H](C(=O)N2CCC[C@@H]([NH+](C)C)CC2)CC(=O)N1 ZINC000408385799 277995480 /nfs/dbraw/zinc/99/54/80/277995480.db2.gz OWBXOPJKSSDNMQ-FRRDWIJNSA-N 1 0 281.400 0.844 10 0 CCAERO C[C@@H]1CN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C[C@H]1C ZINC000262313528 288003279 /nfs/dbraw/zinc/00/32/79/288003279.db2.gz QQJGSMQACWFYRD-OXHZDVMGSA-N 1 0 276.384 0.838 10 0 CCAERO CC(=O)NCc1noc2c1CN(CC[NH+]1CCCC1)CC2 ZINC000096084834 278125430 /nfs/dbraw/zinc/12/54/30/278125430.db2.gz HTWPIOKEYMIDTF-UHFFFAOYSA-N 1 0 292.383 0.765 10 0 CCAERO CC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCCCNC2=O)C1 ZINC000153051274 278145337 /nfs/dbraw/zinc/14/53/37/278145337.db2.gz UBQKMIYBBIYERP-VXGBXAGGSA-N 1 0 253.346 0.256 10 0 CCAERO CC(C)n1nnnc1CN1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000329048001 278155259 /nfs/dbraw/zinc/15/52/59/278155259.db2.gz VPZWCVOUROULCZ-RYUDHWBXSA-N 1 0 280.376 0.159 10 0 CCAERO C[C@H]([NH2+][C@H]1COC[C@H]1n1ccnn1)C1CCOCC1 ZINC000328957275 278284518 /nfs/dbraw/zinc/28/45/18/278284518.db2.gz PHTCPTXPDZTBEF-WCFLWFBJSA-N 1 0 266.345 0.623 10 0 CCAERO C[C@@H](NC(N)=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000262602745 278332995 /nfs/dbraw/zinc/33/29/95/278332995.db2.gz QEWZJPXGBUZWJR-PSASIEDQSA-N 1 0 256.350 0.067 10 0 CCAERO CC1(C)CN(S(=O)(=O)[C@H]2CCCOC2)CC[C@@H]1[NH3+] ZINC000261746318 278339392 /nfs/dbraw/zinc/33/93/92/278339392.db2.gz VOVGKAZCSRCLAY-QWRGUYRKSA-N 1 0 276.402 0.554 10 0 CCAERO CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CC[C@H](CCO)C1 ZINC000227568381 278364474 /nfs/dbraw/zinc/36/44/74/278364474.db2.gz NEVYCOSWZIXENE-SNVBAGLBSA-N 1 0 271.361 0.315 10 0 CCAERO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)C(=O)N1CCC(C)CC1 ZINC000105870582 278387883 /nfs/dbraw/zinc/38/78/83/278387883.db2.gz WVPKMTRLZNGBEP-OLZOCXBDSA-N 1 0 291.399 0.830 10 0 CCAERO CCN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247230262 279074885 /nfs/dbraw/zinc/07/48/85/279074885.db2.gz WUXOVGARNGINSB-ZIAGYGMSSA-N 1 0 283.416 0.650 10 0 CCAERO Cc1nc2ccc(N3CC[C@@H]4[NH2+]CC[C@H]4C3)nn2n1 ZINC000333888928 279125221 /nfs/dbraw/zinc/12/52/21/279125221.db2.gz GKXSPLHMQZXARZ-QWRGUYRKSA-N 1 0 258.329 0.621 10 0 CCAERO CC[NH+](CC)C[C@H](C)NC(=O)[C@H](NC)c1cnn(C)c1 ZINC000262415514 279132236 /nfs/dbraw/zinc/13/22/36/279132236.db2.gz RCTVMVDUXVITRF-WCQYABFASA-N 1 0 281.404 0.527 10 0 CCAERO CCN(CC)S(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113306112 279139742 /nfs/dbraw/zinc/13/97/42/279139742.db2.gz SKBYZHHRVNMRSB-RYUDHWBXSA-N 1 0 275.418 0.742 10 0 CCAERO CCN(CC)S(=O)(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000174003738 279140093 /nfs/dbraw/zinc/14/00/93/279140093.db2.gz JTOYHGYPVBWBGZ-RYUDHWBXSA-N 1 0 277.434 0.891 10 0 CCAERO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C)C1 ZINC000408425189 279150179 /nfs/dbraw/zinc/15/01/79/279150179.db2.gz FFRXHMQDPHMHER-JHJVBQTASA-N 1 0 296.415 0.779 10 0 CCAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@@]2(C)CCOC2)cn1 ZINC000262438732 279350301 /nfs/dbraw/zinc/35/03/01/279350301.db2.gz URQDHQCHYQMROM-DYEKYZERSA-N 1 0 278.356 0.018 10 0 CCAERO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N[C@H]1C[C@@](C)(O)C1 ZINC000333472874 288130032 /nfs/dbraw/zinc/13/00/32/288130032.db2.gz DOFHTXJAZMINQR-FTUHBYGFSA-N 1 0 267.373 0.682 10 0 CCAERO C[C@H](O)C[NH+]1CCN(c2cnc3c(n2)CCCC3)CC1 ZINC000333587833 279576672 /nfs/dbraw/zinc/57/66/72/279576672.db2.gz UVULCNYHYNVNJN-LBPRGKRZSA-N 1 0 276.384 0.858 10 0 CCAERO [NH3+]C[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000238044779 279651519 /nfs/dbraw/zinc/65/15/19/279651519.db2.gz GGINMQPWFBFKQX-DGCLKSJQSA-N 1 0 279.384 0.727 10 0 CCAERO C[C@H]1CN(C(=O)C(=O)NC2CCC(C)(C)CC2)C[C@H]1[NH3+] ZINC000335285098 279782898 /nfs/dbraw/zinc/78/28/98/279782898.db2.gz IEBGFLFABKVVKS-CMPLNLGQSA-N 1 0 281.400 0.877 10 0 CCAERO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@@H]1COCCN1 ZINC000261736335 280029797 /nfs/dbraw/zinc/02/97/97/280029797.db2.gz NKFKXLGBCSNVOU-LBPRGKRZSA-N 1 0 279.315 0.398 10 0 CCAERO CC(C)[C@@H]1N(C(=O)NC[C@@H]2C[NH2+]CCO2)C[C@@]12CCCO2 ZINC000333532434 280046140 /nfs/dbraw/zinc/04/61/40/280046140.db2.gz MLHXBRDGDWAAGQ-YDHLFZDLSA-N 1 0 297.399 0.574 10 0 CCAERO CC[C@@H](C(N)=O)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000105837404 280090258 /nfs/dbraw/zinc/09/02/58/280090258.db2.gz HGDSDXGTCHBJNC-NEPJUHHUSA-N 1 0 257.378 0.293 10 0 CCAERO O=S1(=O)N=C(NC[C@@H]2CCC[NH2+]2)c2ccccc21 ZINC000053254999 280352202 /nfs/dbraw/zinc/35/22/02/280352202.db2.gz ARRBODNOWJUJTH-VIFPVBQESA-N 1 0 265.338 0.477 10 0 CCAERO CC1(C)CC[C@H](C[N@@H+]2CCC[C@](O)(C(N)=O)C2)O1 ZINC000311197914 281127919 /nfs/dbraw/zinc/12/79/19/281127919.db2.gz JASOTZQPLPSESO-ZWNOBZJWSA-N 1 0 256.346 0.256 10 0 CCAERO CC1(C)OC[C@@H]([C@H]2O[C@@H]3OC(C)(C)O[C@H]3[C@H]2[NH3+])O1 ZINC000044960146 281415857 /nfs/dbraw/zinc/41/58/57/281415857.db2.gz SHQAHGPRANRAGI-GENCIFFESA-N 1 0 259.302 0.342 10 0 in-vitro CCAERO 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QFRMHWSHRXZFBN-GFCCVEGCSA-N 1 0 263.341 0.542 10 0 CCAERO CNC(=O)[C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000124105678 290556955 /nfs/dbraw/zinc/55/69/55/290556955.db2.gz PVOJSWGRFRAHGK-KGLIPLIRSA-N 1 0 293.411 0.845 10 0 CCAERO CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(CCO)C2)C1 ZINC000384554618 545085264 /nfs/dbraw/zinc/08/52/64/545085264.db2.gz IWBFWHRCJCQYEZ-MGPQQGTHSA-N 1 0 256.390 0.990 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)N1CCOCC(F)(F)C1 ZINC000334946654 295256671 /nfs/dbraw/zinc/25/66/71/295256671.db2.gz YSPOFPVNXVGYSL-VHSXEESVSA-N 1 0 277.315 0.791 10 0 CCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000089456150 295271267 /nfs/dbraw/zinc/27/12/67/295271267.db2.gz INWKMJGNGNCWOI-RAIGVLPGSA-N 1 0 279.384 0.631 10 0 CCAERO [NH3+][C@@H](C(=O)N1CC[C@H](N2CCOCC2)C1)c1ccccc1 ZINC000062976695 295292345 /nfs/dbraw/zinc/29/23/45/295292345.db2.gz YRCQHBZAGZLONQ-LSDHHAIUSA-N 1 0 289.379 0.620 10 0 CCAERO [NH3+][C@H]1CCc2nc(NC(=O)C3=COCCO3)sc2C1 ZINC000290136823 295341495 /nfs/dbraw/zinc/34/14/95/295341495.db2.gz ZTRPVPOWXCUJNT-ZETCQYMHSA-N 1 0 281.337 0.786 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N1CCOCC1 ZINC000247062301 297098185 /nfs/dbraw/zinc/09/81/85/297098185.db2.gz HHUZOEFGKBJJRM-NEPJUHHUSA-N 1 0 253.346 0.607 10 0 CCAERO C[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCC(=O)NC1(C)C ZINC000334922817 297102427 /nfs/dbraw/zinc/10/24/27/297102427.db2.gz XUMQERQVTWUVBH-NXEZZACHSA-N 1 0 268.361 0.047 10 0 CCAERO C[C@H](C[N@H+](C)CC(=O)NC1CCOCC1)C(N)=S ZINC000062768941 524291415 /nfs/dbraw/zinc/29/14/15/524291415.db2.gz BVYMFBWNYHAXIB-SECBINFHSA-N 1 0 273.402 0.136 10 0 CCAERO C[C@H]1CCN(S(=O)(=O)c2cnn(C)c2)[C@@H](C[NH3+])C1 ZINC000235643561 299987519 /nfs/dbraw/zinc/98/75/19/299987519.db2.gz YJFCPBVMCJEKFD-VHSXEESVSA-N 1 0 272.374 0.168 10 0 CCAERO C[C@H]1CC[C@H](O)C[N@@H+]1CCCS(=O)(=O)N(C)C ZINC000420999463 300073581 /nfs/dbraw/zinc/07/35/81/300073581.db2.gz ANECWWAFXDWXIS-QWRGUYRKSA-N 1 0 264.391 0.113 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CNCC(F)(F)F ZINC000252675445 300318363 /nfs/dbraw/zinc/31/83/63/300318363.db2.gz ZYFRKRZLWNWGKP-UWVGGRQHSA-N 1 0 279.306 0.833 10 0 CCAERO NC(=O)NCCC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107779094 303276935 /nfs/dbraw/zinc/27/69/35/303276935.db2.gz OKNAPZLYGMYIKP-GFCCVEGCSA-N 1 0 282.388 0.522 10 0 CCAERO O=C(NC1C[NH2+]C1)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000335397360 303747725 /nfs/dbraw/zinc/74/77/25/303747725.db2.gz VHKYNOLLFWBFRV-RYUDHWBXSA-N 1 0 265.357 0.701 10 0 CCAERO O=C(N[C@@H]1CC[NH2+]C1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000333641162 303871371 /nfs/dbraw/zinc/87/13/71/303871371.db2.gz IFYLRCGWMFIEAT-YRGRVCCFSA-N 1 0 267.373 0.685 10 0 CCAERO Cc1nc(N[C@@H](C)C[C@@H](C)[NH3+])sc1S(N)(=O)=O ZINC000320537676 329957004 /nfs/dbraw/zinc/95/70/04/329957004.db2.gz OKWUVULMEVTGAP-RITPCOANSA-N 1 0 278.403 0.637 10 0 CCAERO O=C([C@H]1C[NH2+]Cc2ccccc21)N1CCO[C@@H](CO)C1 ZINC000167128503 334923908 /nfs/dbraw/zinc/92/39/08/334923908.db2.gz MZWLGJSHDGLESA-OCCSQVGLSA-N 1 0 276.336 0.093 10 0 CCAERO CCN(CCC[NH2+]Cc1ncccn1)S(C)(=O)=O ZINC000054459334 521020972 /nfs/dbraw/zinc/02/09/72/521020972.db2.gz CSXHBFHNNXANEY-UHFFFAOYSA-N 1 0 272.374 0.238 10 0 CCAERO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC[C@H]1Cn1ccnn1 ZINC000333787232 534095043 /nfs/dbraw/zinc/09/50/43/534095043.db2.gz FOGQPQOMMSQPLQ-FRRDWIJNSA-N 1 0 292.387 0.450 10 0 CCAERO COc1ccccc1OCC(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000423940125 534192873 /nfs/dbraw/zinc/19/28/73/534192873.db2.gz BPWFLCFUAFNSKY-QWRGUYRKSA-N 1 0 264.325 0.880 10 0 CCAERO CC(C)(C(=O)NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(F)cc1 ZINC000262250001 534353229 /nfs/dbraw/zinc/35/32/29/534353229.db2.gz LMJDSCBQKDQHIV-ZWNOBZJWSA-N 1 0 280.343 0.800 10 0 CCAERO CC(=O)N1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000055123440 519577293 /nfs/dbraw/zinc/57/72/93/519577293.db2.gz MULJSDMXIOZEQB-UHTWSYAYSA-N 1 0 267.373 0.441 10 0 CCAERO CC(C)[C@@H](C)NC(=O)C[NH2+]CCCS(C)(=O)=O ZINC000049308174 519791590 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ZINC000050790646 520286204 /nfs/dbraw/zinc/28/62/04/520286204.db2.gz JMBBMRMUFRABMR-UHFFFAOYSA-N 1 0 265.361 0.978 10 0 CCAERO CCC(C)(C)NC(=O)C[NH2+]C1CCS(=O)(=O)CC1 ZINC000049281746 521316036 /nfs/dbraw/zinc/31/60/36/521316036.db2.gz MONNROOGOOQLHU-UHFFFAOYSA-N 1 0 276.402 0.458 10 0 CCAERO CCC(CC)(CO)[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC000053070635 521458557 /nfs/dbraw/zinc/45/85/57/521458557.db2.gz SBONQGFQORBVPO-OLZOCXBDSA-N 1 0 275.389 0.684 10 0 CCAERO CC[NH+]1CCC(N(C)CC[C@H]([NH2+]C)C(=O)[O-])CC1 ZINC000062462959 521562327 /nfs/dbraw/zinc/56/23/27/521562327.db2.gz GLMZYQSQIFMDET-LBPRGKRZSA-N 1 0 257.378 0.465 10 0 CCAERO CCCn1c(S[C@H](C[NH3+])C(F)(F)F)n[nH]c1=O ZINC000061594765 521635358 /nfs/dbraw/zinc/63/53/58/521635358.db2.gz CBTIOKJHFPQTGN-RXMQYKEDSA-N 1 0 270.280 0.963 10 0 CCAERO CCCn1ccnc(N2C[C@@H](C)[NH2+][C@H](C)C2)c1=O ZINC000061761763 521659943 /nfs/dbraw/zinc/65/99/43/521659943.db2.gz RTVZXGSKEVVQLT-GHMZBOCLSA-N 1 0 250.346 0.840 10 0 CCAERO CCNC(=O)C(C)(C)CNC(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC000182664563 521732784 /nfs/dbraw/zinc/73/27/84/521732784.db2.gz RUDRMSYAWMHSRH-UWVGGRQHSA-N 1 0 257.378 0.638 10 0 CCAERO CCNC(=O)CN(C)C(=O)CCC1CCC([NH3+])CC1 ZINC000055139572 521736180 /nfs/dbraw/zinc/73/61/80/521736180.db2.gz GAMHFCKJIKTZRZ-UHFFFAOYSA-N 1 0 269.389 0.879 10 0 CCAERO CNC(=O)c1cc(C)ccc1NC(=O)[C@H]([NH3+])COC ZINC000262592534 521779306 /nfs/dbraw/zinc/77/93/06/521779306.db2.gz WLBWAQOGEIHBQM-SNVBAGLBSA-N 1 0 265.313 0.267 10 0 CCAERO C[NH+](C)C[C@H](NC(=O)Cn1cnnn1)c1ccccc1 ZINC000052555183 521858759 /nfs/dbraw/zinc/85/87/59/521858759.db2.gz LXOXAYSLWKOMSH-LBPRGKRZSA-N 1 0 274.328 0.092 10 0 CCAERO C[NH2+]Cc1nccn1CC(=O)NCc1ccccc1 ZINC000051004438 522155439 /nfs/dbraw/zinc/15/54/39/522155439.db2.gz IAGGUXGPKIDYAV-UHFFFAOYSA-N 1 0 258.325 0.919 10 0 CCAERO COC[C@@H](C)NC(=O)C[NH2+][C@@H](C)CN1CCCC1 ZINC000049291019 522228700 /nfs/dbraw/zinc/22/87/00/522228700.db2.gz RRQAGOFMBXPAMF-NWDGAFQWSA-N 1 0 257.378 0.211 10 0 CCAERO O=C([C@H]1CNC(=O)C1)N1CC[NH+](C2CCC2)CC1 ZINC000328650917 534636162 /nfs/dbraw/zinc/63/61/62/534636162.db2.gz JHVLHJXLXWONMN-SNVBAGLBSA-N 1 0 251.330 0.660 10 0 CCAERO CNc1ccc(C(=O)NCC[NH+]2CCCCC2)nn1 ZINC000050777280 522587823 /nfs/dbraw/zinc/58/78/23/522587823.db2.gz JQZDNRFUBMEBIB-UHFFFAOYSA-N 1 0 263.345 0.734 10 0 CCAERO CNc1ncc(S(=O)(=O)NCCCC[NH+](C)C)cn1 ZINC000050672521 522702120 /nfs/dbraw/zinc/70/21/20/522702120.db2.gz ZAERJCKFTLFWRM-UHFFFAOYSA-N 1 0 287.389 0.138 10 0 CCAERO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000155532575 523202357 /nfs/dbraw/zinc/20/23/57/523202357.db2.gz FHQBDZGAGPTJGR-QJPTWQEYSA-N 1 0 284.356 0.165 10 0 CCAERO CO[C@@H](C(=O)N(C)[C@@H]1C[NH2+]C[C@H]1O)c1ccccc1 ZINC000050438031 523311817 /nfs/dbraw/zinc/31/18/17/523311817.db2.gz YZCABNLAURLINT-JHJVBQTASA-N 1 0 264.325 0.165 10 0 CCAERO CC[C@@H]1CN(CCn2ccnc2)CC[N@@H+]1CCOC ZINC000161677891 523444906 /nfs/dbraw/zinc/44/49/06/523444906.db2.gz NBEFEADGVKBFAV-CQSZACIVSA-N 1 0 266.389 0.926 10 0 CCAERO COCCC[C@H](C[NH2+]CCOC)[C@H]1CCS(=O)(=O)C1 ZINC000054639402 523491862 /nfs/dbraw/zinc/49/18/62/523491862.db2.gz FBABGKFPWXOXQO-OLZOCXBDSA-N 1 0 293.429 0.700 10 0 CCAERO COCC[N@H+](C)CCNCc1nccn1C(F)F ZINC000061379052 523607953 /nfs/dbraw/zinc/60/79/53/523607953.db2.gz AQIDZCICRYMBJQ-UHFFFAOYSA-N 1 0 262.304 0.946 10 0 CCAERO C[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1csc(N)n1 ZINC000055273199 523795916 /nfs/dbraw/zinc/79/59/16/523795916.db2.gz XSINIJMRHZVQQA-SNVBAGLBSA-N 1 0 268.386 0.868 10 0 CCAERO COCC[N@@H+]1CCCN(C(=O)c2csc(N)n2)CC1 ZINC000055187960 523822874 /nfs/dbraw/zinc/82/28/74/523822874.db2.gz PNFAXENYDJVXTH-UHFFFAOYSA-N 1 0 284.385 0.520 10 0 CCAERO COCC[NH2+]Cc1ccc(OC)cc1OCCO ZINC000062733279 523952967 /nfs/dbraw/zinc/95/29/67/523952967.db2.gz DDYVPFYISLCRMF-UHFFFAOYSA-N 1 0 255.314 0.802 10 0 CCAERO COCCOCCOCC[N@H+](C)[C@@H]1CCCC[C@@H]1O ZINC000157312007 524011855 /nfs/dbraw/zinc/01/18/55/524011855.db2.gz SHQBHKKWVVIAAG-KGLIPLIRSA-N 1 0 275.389 0.901 10 0 CCAERO C[C@@H]1CCCCN1S(=O)(=O)CCN1CC[NH2+]CC1 ZINC000049631910 524115951 /nfs/dbraw/zinc/11/59/51/524115951.db2.gz LFKLFIZNSPUHAS-GFCCVEGCSA-N 1 0 275.418 0.096 10 0 CCAERO C[C@H]1CC[C@H](C(N)=O)CN1C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055088771 524388360 /nfs/dbraw/zinc/38/83/60/524388360.db2.gz SWFHKDZYTOEJQS-YFKTTZPYSA-N 1 0 267.373 0.616 10 0 CCAERO C[C@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)CN1CCOCC1 ZINC000163426179 524403881 /nfs/dbraw/zinc/40/38/81/524403881.db2.gz KTGZJIGJFRKDMC-KGLIPLIRSA-N 1 0 298.431 0.300 10 0 CCAERO C[C@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)N1CCCC[C@@H]1C(N)=O ZINC000055135152 524415023 /nfs/dbraw/zinc/41/50/23/524415023.db2.gz YSSDIJCROSDBJB-FIQHERPVSA-N 1 0 267.373 0.616 10 0 CCAERO COC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000616568922 545103093 /nfs/dbraw/zinc/10/30/93/545103093.db2.gz FAKITTFXLXYRGL-VXGBXAGGSA-N 1 0 262.309 0.421 10 0 CCAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1c[nH]nc1N ZINC000049503141 524604712 /nfs/dbraw/zinc/60/47/12/524604712.db2.gz GAMYBADOQKEXMJ-VIFPVBQESA-N 1 0 251.334 0.596 10 0 CCAERO C[C@@H](CN1CCOCC1)[NH2+]CC1(O)CCCCC1 ZINC000049504616 524629514 /nfs/dbraw/zinc/62/95/14/524629514.db2.gz IHRLUQZHEAVAPX-ZDUSSCGKSA-N 1 0 256.390 0.992 10 0 CCAERO C[C@H]1C[C@H]([NH3+])CC[C@@H]1C(=O)N1CCC[C@@H]1C(N)=O ZINC000055125880 524903942 /nfs/dbraw/zinc/90/39/42/524903942.db2.gz WUYZUTGXSWGHJO-ZRUFSTJUSA-N 1 0 253.346 0.226 10 0 CCAERO Cc1cc(F)ccc1[C@@H](C(N)=O)N1CCC[NH2+]CC1 ZINC000050579638 525001859 /nfs/dbraw/zinc/00/18/59/525001859.db2.gz MSQTUOQTYWROTM-ZDUSSCGKSA-N 1 0 265.332 0.956 10 0 CCAERO C[C@H]1OCC[C@H]1[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC000135363349 525049359 /nfs/dbraw/zinc/04/93/59/525049359.db2.gz QABNBLVREVSZFQ-ZYHUDNBSSA-N 1 0 255.362 0.899 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1nccn(C)c1=O ZINC000183858739 525086089 /nfs/dbraw/zinc/08/60/89/525086089.db2.gz FYZCDFPYHLOGBY-GHMZBOCLSA-N 1 0 291.355 0.481 10 0 CCAERO O=C([C@@H]1CSC(=O)N1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063189705 526495926 /nfs/dbraw/zinc/49/59/26/526495926.db2.gz SERVARYDGWWAAT-DCAQKATOSA-N 1 0 283.397 0.945 10 0 CCAERO NC(=O)C1CCN(C(=O)C[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000055091457 526856501 /nfs/dbraw/zinc/85/65/01/526856501.db2.gz JRJPAMFJURTJMU-JQWIXIFHSA-N 1 0 267.373 0.618 10 0 CCAERO O=C(Nc1n[nH]cc1Br)[C@H]1CC[NH2+]C1 ZINC000307312557 527088914 /nfs/dbraw/zinc/08/89/14/527088914.db2.gz JTNPYUHZOFFVRY-YFKPBYRVSA-N 1 0 259.107 0.720 10 0 CCAERO [NH3+]CCCN(C(=O)[C@@H]1COCCO1)C1CCCCC1 ZINC000055297059 527176990 /nfs/dbraw/zinc/17/69/90/527176990.db2.gz OHHUGHVZLCNZTG-ZDUSSCGKSA-N 1 0 270.373 0.912 10 0 CCAERO O=S(=O)(C[C@@H]1CCCC[NH2+]1)NCc1nccs1 ZINC000049631518 527181431 /nfs/dbraw/zinc/18/14/31/527181431.db2.gz GNLRPFMDRBJBHL-VIFPVBQESA-N 1 0 275.399 0.705 10 0 CCAERO O=S(=O)(C[C@@H]1CCC[NH2+]C1)N1CCCSCC1 ZINC000049644698 527182725 /nfs/dbraw/zinc/18/27/25/527182725.db2.gz DWGLKDDFFVAOHU-LLVKDONJSA-N 1 0 278.443 0.755 10 0 CCAERO NC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCC[C@H](C[NH3+])C1 ZINC000055146481 527234326 /nfs/dbraw/zinc/23/43/26/527234326.db2.gz IFFUMLBEOOGHCJ-HBNTYKKESA-N 1 0 253.346 0.228 10 0 CCAERO CN1C[C@H]([C@@H]2CC[NH2+]C[C@H]2NC(=O)OC(C)(C)C)CN1 ZINC000669384891 545206335 /nfs/dbraw/zinc/20/63/35/545206335.db2.gz LUAVAJTWANYMQV-GRYCIOLGSA-N 1 0 284.404 0.555 10 0 CCAERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@]2(C)CCCNC2=O)C1 ZINC000332998416 535133061 /nfs/dbraw/zinc/13/30/61/535133061.db2.gz GFYJTAYYPNGYIQ-XJKSGUPXSA-N 1 0 295.427 0.997 10 0 CCAERO C[C@@H]1CN(CC23CCC(CC2)[NH2+]3)C[C@H](C)S1(=O)=O ZINC000675055927 545320635 /nfs/dbraw/zinc/32/06/35/545320635.db2.gz DLDBUFRBUBFQNY-MPEURRAXSA-N 1 0 272.414 0.778 10 0 CCAERO CCC[C@@]1(CNS(=O)(=O)CCC)C[NH2+]CCO1 ZINC000675058072 545320667 /nfs/dbraw/zinc/32/06/67/545320667.db2.gz QYEZDWKJNFTNPA-NSHDSACASA-N 1 0 264.391 0.475 10 0 CCAERO CCCC(=O)N1C[C@H]2[C@@](C[NH3+])(C1)CCCS2(=O)=O ZINC000675072562 545321109 /nfs/dbraw/zinc/32/11/09/545321109.db2.gz FHDPTGPVVSIWMN-JQWIXIFHSA-N 1 0 274.386 0.151 10 0 CCAERO CCN1CCC[C@@H]([NH2+][C@@H](C)CS(=O)(=O)CC)C1 ZINC000164003570 535541928 /nfs/dbraw/zinc/54/19/28/535541928.db2.gz CMWLKIWFFHDNTD-NWDGAFQWSA-N 1 0 262.419 0.884 10 0 CCAERO CCOc1cc(CNC[C@@H]2C[NH2+]C[C@@H]2O)ccc1OC ZINC000263195725 535676227 /nfs/dbraw/zinc/67/62/27/535676227.db2.gz IKEGDHBVGVBUFR-OLZOCXBDSA-N 1 0 280.368 0.764 10 0 CCAERO CCn1nccc1S(=O)(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261867299 535887967 /nfs/dbraw/zinc/88/79/67/535887967.db2.gz SRMMBKZJXSFKMK-SNVBAGLBSA-N 1 0 286.401 0.651 10 0 CCAERO CC[C@H](CCO)NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262756115 536097699 /nfs/dbraw/zinc/09/76/99/536097699.db2.gz KXTZMIYHELKOCT-VXGBXAGGSA-N 1 0 280.372 0.698 10 0 CCAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC(=O)N(C)CC ZINC000251498432 536165430 /nfs/dbraw/zinc/16/54/30/536165430.db2.gz DUTQIYRZFGMJPV-STQMWFEESA-N 1 0 296.415 0.733 10 0 CCAERO C[NH2+][C@@H](C(=O)N1CCC([C@@H](C)O)CC1)c1cnn(C)c1 ZINC000262541563 536334704 /nfs/dbraw/zinc/33/47/04/536334704.db2.gz NHHAMTPXSHWBFL-ZWNOBZJWSA-N 1 0 280.372 0.300 10 0 CCAERO C[NH2+][C@@H](C)CNC(=O)Cc1cn2ccsc2n1 ZINC000261823636 536339315 /nfs/dbraw/zinc/33/93/15/536339315.db2.gz USKSMKUPQOQJMB-QMMMGPOBSA-N 1 0 252.343 0.662 10 0 CCAERO C[NH2+][C@@H](C)CNC(=O)Cc1nc2nc(C)cc(C)n2n1 ZINC000261672040 536340162 /nfs/dbraw/zinc/34/01/62/536340162.db2.gz GWHGFYOJWQLPMS-VIFPVBQESA-N 1 0 276.344 0.008 10 0 CCAERO COC[C@@H](C)N(C)C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261998317 536518569 /nfs/dbraw/zinc/51/85/69/536518569.db2.gz UFQWZOXBRZYREC-RTXFEEFZSA-N 1 0 280.372 0.216 10 0 CCAERO COC[C@](C)(CCO)[NH2+]C[C@@H](O)COC(C)(C)C ZINC000085980846 536630331 /nfs/dbraw/zinc/63/03/31/536630331.db2.gz SHOCFORUVGRKBK-YPMHNXCESA-N 1 0 263.378 0.540 10 0 CCAERO COc1ccc(N(C)C(=O)[C@@H]2C[C@H](O)C[NH2+]2)cc1F ZINC000262352088 536645365 /nfs/dbraw/zinc/64/53/65/536645365.db2.gz HJZFHOLBAKAPFP-ONGXEEELSA-N 1 0 268.288 0.520 10 0 CCAERO COC[C@H]([NH3+])C(=O)NC[C@@H](O)c1ccc(Cl)cc1 ZINC000262314739 536863334 /nfs/dbraw/zinc/86/33/34/536863334.db2.gz PNRUUOULZWEREY-WDEREUQCSA-N 1 0 272.732 0.463 10 0 CCAERO Cn1nnc(Br)c1CN1CC[C@H]1C[NH3+] ZINC000757144350 581679317 /nfs/dbraw/zinc/67/93/17/581679317.db2.gz JENILHGSCGPUBK-LURJTMIESA-N 1 0 260.139 0.111 10 0 CCAERO NS(=O)(=O)C[C@@H]1OCCC12CC[NH+](C1CC1)CC2 ZINC000757212750 581687552 /nfs/dbraw/zinc/68/75/52/581687552.db2.gz QYTJKSOFJDPFIZ-NSHDSACASA-N 1 0 274.386 0.308 10 0 CCAERO [NH3+][C@H](CS(=O)(=O)N1CCCC1)[C@H]1CCCOC1 ZINC000757150854 581696788 /nfs/dbraw/zinc/69/67/88/581696788.db2.gz IRWRWYKBZGJQEP-WDEREUQCSA-N 1 0 262.375 0.166 10 0 CCAERO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[C@@H]1C(N)=O ZINC000757161515 581697001 /nfs/dbraw/zinc/69/70/01/581697001.db2.gz TTWNGUIDMGTJST-CYZMBNFOSA-N 1 0 291.351 0.005 10 0 CCAERO CN(Cc1cn[nH]c1)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131299770 581929184 /nfs/dbraw/zinc/92/91/84/581929184.db2.gz DJKAQCCNKINKLN-UHFFFAOYSA-N 1 0 265.361 0.052 10 0 CCAERO CN(CCO)[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)[NH2+]C1 ZINC000757134598 581940134 /nfs/dbraw/zinc/94/01/34/581940134.db2.gz OAZABYVOFLMQIM-NWDGAFQWSA-N 1 0 287.404 0.556 10 0 CCAERO COc1ccc([C@@H](O)CNC(=O)C[C@@H]2CC[NH2+]C2)cc1 ZINC000128307552 617279579 /nfs/dbraw/zinc/27/95/79/617279579.db2.gz NPIVZLGJTVLLRD-FZMZJTMJSA-N 1 0 278.352 0.844 10 0 CCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cccn2nnnc12 ZINC000896896713 614214522 /nfs/dbraw/zinc/21/45/22/614214522.db2.gz CSGWDOCHNGHZHA-LLVKDONJSA-N 1 0 290.371 0.830 10 0 CCAERO CC(C)c1nnc(CN2CCC(O)(C[NH+](C)C)CC2)n1C ZINC000931483010 614333334 /nfs/dbraw/zinc/33/33/34/614333334.db2.gz UJZWMPWMASLENP-UHFFFAOYSA-N 1 0 295.431 0.827 10 0 CCAERO CCN(CC)C(=O)CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000135364117 614974410 /nfs/dbraw/zinc/97/44/10/614974410.db2.gz MOBCXWUSIOFBKS-GHMZBOCLSA-N 1 0 255.362 0.346 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(F)nc2)C1 ZINC000154994488 615125817 /nfs/dbraw/zinc/12/58/17/615125817.db2.gz DPMXIYQYCPFPNH-LLVKDONJSA-N 1 0 294.330 0.760 10 0 CCAERO CCc1cc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)no1 ZINC000890469626 615617186 /nfs/dbraw/zinc/61/71/86/615617186.db2.gz YVHKHGYHJHKTTK-STQMWFEESA-N 1 0 279.340 0.782 10 0 CCAERO CN1CCN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1c1ncc[nH]1 ZINC000907563599 616221077 /nfs/dbraw/zinc/22/10/77/616221077.db2.gz HLAIUHSBBPBLPI-GFCCVEGCSA-N 1 0 289.383 0.321 10 0 CCAERO COC(=O)c1ncn(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1 ZINC000153239030 616276124 /nfs/dbraw/zinc/27/61/24/616276124.db2.gz RHOLIDZGBMXHLO-GHMZBOCLSA-N 1 0 279.344 0.191 10 0 CCAERO Cn1ncc(CCC(=O)N2C[C@@H]3CC[N@H+](C)C[C@H]3C2)n1 ZINC000908332311 616436737 /nfs/dbraw/zinc/43/67/37/616436737.db2.gz ZZIIPMQEFDJEJD-RYUDHWBXSA-N 1 0 277.372 0.158 10 0 CCAERO COC(=O)C[C@@]1([NH3+])CCN(C(=O)OC(C)(C)C)C1 ZINC000211475834 616674927 /nfs/dbraw/zinc/67/49/27/616674927.db2.gz YZHXQTXXFNOLGF-LBPRGKRZSA-N 1 0 258.318 0.888 10 0 CCAERO CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2N(C)Cc2cnn(C)n2)C1 ZINC000886077860 617101322 /nfs/dbraw/zinc/10/13/22/617101322.db2.gz KDPMNGFONIUCOV-ZNMIVQPWSA-N 1 0 293.415 0.889 10 0 CCAERO CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2NC(=O)c2cnn(C)n2)C1 ZINC000888076763 617101601 /nfs/dbraw/zinc/10/16/01/617101601.db2.gz ANUICABMXGOHKW-LOWVWBTDSA-N 1 0 293.371 0.187 10 0 CCAERO CCON1CCC([NH2+]C[C@@H]2CN(CC)CCO2)CC1 ZINC000323394784 625297099 /nfs/dbraw/zinc/29/70/99/625297099.db2.gz SLPAVUXJBILGHK-CQSZACIVSA-N 1 0 271.405 0.713 10 0 CCAERO CC(C)[N@H+]1C[C@H](NC(=O)c2cnsn2)[C@@H](C)C1 ZINC000158887906 623122192 /nfs/dbraw/zinc/12/21/92/623122192.db2.gz IFGRCOOLNFRYRD-WPRPVWTQSA-N 1 0 254.359 0.997 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CSC(=O)N1 ZINC000177035155 623239543 /nfs/dbraw/zinc/23/95/43/623239543.db2.gz LFBHLSLRWYGDTH-ZJUUUORDSA-N 1 0 271.386 0.754 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)Cn1cc(C(=O)OC)nn1 ZINC000177157999 623358978 /nfs/dbraw/zinc/35/89/78/623358978.db2.gz ZKCKQIMJMOTZEJ-NSHDSACASA-N 1 0 281.360 0.438 10 0 CCAERO COC(=O)[C@H]1C[NH2+]C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000166503389 623711890 /nfs/dbraw/zinc/71/18/90/623711890.db2.gz WEMBLGFEPWTTDF-MNOVXSKESA-N 1 0 263.293 0.934 10 0 CCAERO CS(=O)(=O)c1cccnc1NCC1CC([NH3+])C1 ZINC000168607664 623773290 /nfs/dbraw/zinc/77/32/90/623773290.db2.gz MDFGFVCJOFGMGC-UHFFFAOYSA-N 1 0 255.343 0.634 10 0 CCAERO O=c1c2ccccc2nnn1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000246882709 624493027 /nfs/dbraw/zinc/49/30/27/624493027.db2.gz BASVLMHMBLLZEZ-LBPRGKRZSA-N 1 0 285.351 0.529 10 0 CCAERO CN(CCS(C)(=O)=O)C(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000094301344 631064130 /nfs/dbraw/zinc/06/41/30/631064130.db2.gz GZZMGMMUVBDJJS-QWRGUYRKSA-N 1 0 276.402 0.255 10 0 CCAERO COC(=O)N[C@@H](C(=O)N1CCC([C@H](C)[NH3+])CC1)C(C)C ZINC000178806820 631562777 /nfs/dbraw/zinc/56/27/77/631562777.db2.gz NSFKVQFYKAHROQ-CMPLNLGQSA-N 1 0 285.388 0.953 10 0 CCAERO O=C(N[C@@H]1CCc2nccn2C1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895944734 632180690 /nfs/dbraw/zinc/18/06/90/632180690.db2.gz RKWUNBCGBDJVFV-CHWSQXEVSA-N 1 0 290.367 0.035 10 0 CCAERO [NH3+]C1CCC(C(=O)NC[C@H](O)C(F)(F)F)CC1 ZINC000225390530 636947196 /nfs/dbraw/zinc/94/71/96/636947196.db2.gz PFLCSAYPUFDIKG-RRQHEKLDSA-N 1 0 254.252 0.543 10 0 CCAERO COC[C@@H]([NH3+])C(=O)N[C@@H](C)COc1ccc(C)cc1 ZINC000167912485 636982799 /nfs/dbraw/zinc/98/27/99/636982799.db2.gz GCZIMMIAMPLYSP-WCQYABFASA-N 1 0 266.341 0.852 10 0 CCAERO C[C@@]1(C(=O)NC[C@@H](O)C(F)(F)F)CCC[NH2+]C1 ZINC000227419777 637024657 /nfs/dbraw/zinc/02/46/57/637024657.db2.gz XPBPINRZNDVIRY-VXNVDRBHSA-N 1 0 254.252 0.416 10 0 CCAERO O[C@@H](C[NH+]1CCC2(CC1)OCCO2)c1cccnc1 ZINC000062355294 637161847 /nfs/dbraw/zinc/16/18/47/637161847.db2.gz JBZGRBHCMCVUMI-ZDUSSCGKSA-N 1 0 264.325 0.954 10 0 CCAERO C[C@@H]([NH3+])CCNS(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000063171107 637205776 /nfs/dbraw/zinc/20/57/76/637205776.db2.gz CLDKZCOSYQWOOM-SECBINFHSA-N 1 0 296.348 0.809 10 0 CCAERO Cc1cnc([C@H](C)NS(=O)(=O)[C@@H]2CCC[NH2+]C2)o1 ZINC000231749487 637227407 /nfs/dbraw/zinc/22/74/07/637227407.db2.gz AAINTJOUGGNNSD-VHSXEESVSA-N 1 0 273.358 0.715 10 0 CCAERO CC[C@]1(C(=O)NC[C@@H](O)C(F)(F)F)CCC[NH2+]1 ZINC000231786149 637229850 /nfs/dbraw/zinc/22/98/50/637229850.db2.gz OFDLYDDXMSKATD-VXNVDRBHSA-N 1 0 254.252 0.558 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)N(C)C(C)C ZINC000175393861 638203846 /nfs/dbraw/zinc/20/38/46/638203846.db2.gz SNIPDWMCMLSGJC-LBPRGKRZSA-N 1 0 277.434 0.988 10 0 CCAERO COC(=O)N[C@H](CC(C)C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170855125 638234997 /nfs/dbraw/zinc/23/49/97/638234997.db2.gz WZGXXSRCOUBBRX-VXGBXAGGSA-N 1 0 285.388 0.920 10 0 CCAERO CCOCCONC(=O)NC[C@H](C)[NH+](CC)CC ZINC000184618548 638700104 /nfs/dbraw/zinc/70/01/04/638700104.db2.gz WMASPBGBPAJKBM-NSHDSACASA-N 1 0 261.366 0.984 10 0 CCAERO C[NH2+][C@]1(C(N)=O)CC[C@@H](n2cc(Br)cn2)C1 ZINC000086627024 639856073 /nfs/dbraw/zinc/85/60/73/639856073.db2.gz CMTNTNDLTTURPJ-PSASIEDQSA-N 1 0 287.161 0.814 10 0 CCAERO O=C(O[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CNC(=O)C1 ZINC000117093515 644750687 /nfs/dbraw/zinc/75/06/87/644750687.db2.gz QVFPANHLORTJRB-UONOGXRCSA-N 1 0 288.347 0.940 10 0 CCAERO Cn1nccc1NC(=O)[C@@H](C[NH3+])C1CCOCC1 ZINC000864728338 645268965 /nfs/dbraw/zinc/26/89/65/645268965.db2.gz LKHXMPLMFFMDPJ-JTQLQIEISA-N 1 0 252.318 0.360 10 0 CCAERO [NH3+]C[C@H](C(=O)NCc1ccccc1CO)C1CCOCC1 ZINC000864739042 645271913 /nfs/dbraw/zinc/27/19/13/645271913.db2.gz MKDUXHCGWSMGID-HNNXBMFYSA-N 1 0 292.379 0.797 10 0 CCAERO COC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000049095662 649330287 /nfs/dbraw/zinc/33/02/87/649330287.db2.gz WAKXYZIVXJJYDB-NWDGAFQWSA-N 1 0 285.388 0.968 10 0 CCAERO C[NH+](C)[C@H]1CCN(C(=O)NOC[C@H]2CCOC2)C1 ZINC000190439732 649450182 /nfs/dbraw/zinc/45/01/82/649450182.db2.gz ITVYHJXGRJXMPS-QWRGUYRKSA-N 1 0 257.334 0.300 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CSCN1C(C)=O ZINC000245430735 649642595 /nfs/dbraw/zinc/64/25/95/649642595.db2.gz MEHQFYNVYNPGGF-CHWSQXEVSA-N 1 0 299.440 0.851 10 0 CCAERO CC[C@@H]1CC(=O)N(CN2CC[N@H+](CCOC)[C@@H](C)C2)C1 ZINC000245856147 649651278 /nfs/dbraw/zinc/65/12/78/649651278.db2.gz FXPWROORYXEVFZ-UONOGXRCSA-N 1 0 283.416 0.855 10 0 CCAERO CCCNC(=O)CNC(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089387901 649654217 /nfs/dbraw/zinc/65/42/17/649654217.db2.gz MOIZUKILPXMKLQ-WDEREUQCSA-N 1 0 255.362 0.394 10 0 CCAERO CC[C@H]1CN(CC[C@H]2CCOC2=O)CC[N@@H+]1CCOC ZINC000246378358 649672014 /nfs/dbraw/zinc/67/20/14/649672014.db2.gz ITFCPCXAEHSBHD-KBPBESRZSA-N 1 0 284.400 0.982 10 0 CCAERO [NH3+][C@H]1CC[C@H](C(=O)NCCc2nnc3ccccn32)C1 ZINC000091548477 649706306 /nfs/dbraw/zinc/70/63/06/649706306.db2.gz OUKNEHDUBGSZMS-QWRGUYRKSA-N 1 0 273.340 0.515 10 0 CCAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCCc2ccnn2C)C1 ZINC000248897646 649738953 /nfs/dbraw/zinc/73/89/53/649738953.db2.gz VMTRNQOXXQCOTD-TZMCWYRMSA-N 1 0 293.415 0.991 10 0 CCAERO [NH3+]CCCCCc1nc([C@H]2CN3CCN2CC3)no1 ZINC000094506112 649743900 /nfs/dbraw/zinc/74/39/00/649743900.db2.gz UCJVTAVAWQFFEE-LLVKDONJSA-N 1 0 265.361 0.413 10 0 CCAERO C(c1nc([C@@H]2CN3CCC[C@H]3CO2)no1)[C@@H]1CCC[NH2+]1 ZINC000252550028 649828499 /nfs/dbraw/zinc/82/84/99/649828499.db2.gz OHEQZEMPDPTDSZ-SRVKXCTJSA-N 1 0 278.356 0.900 10 0 CCAERO COC[C@@]1(C(=O)[O-])C[N@H+](CC2CC[NH+](C)CC2)CCO1 ZINC000711543191 955049399 /nfs/dbraw/zinc/04/93/99/955049399.db2.gz WMBYOZTYDPLWJO-CQSZACIVSA-N 1 0 286.372 0.130 10 0 CCAERO C[NH+]1CCC(C[N@@H+]2C[C@H](O)C[C@H](C(=O)[O-])C2)CC1 ZINC000691377950 976353773 /nfs/dbraw/zinc/35/37/73/976353773.db2.gz GLNQVZCHJQFSMG-NWDGAFQWSA-N 1 0 256.346 0.096 10 0 CCAERO C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000715784354 977785893 /nfs/dbraw/zinc/78/58/93/977785893.db2.gz BVDQUXLISCLXFR-GZBFAFLISA-N 1 0 282.384 0.894 10 0 CCAERO c1ccc(-n2nnnc2N2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000090322766 349435555 /nfs/dbraw/zinc/43/55/55/349435555.db2.gz GGRCIUGKRZYIJW-QWRGUYRKSA-N 1 0 256.313 0.318 10 0 CCAERO Cn1cc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c(=O)n(C)c1=O ZINC000091979266 349478983 /nfs/dbraw/zinc/47/89/83/349478983.db2.gz SXSVZJUOIZNNGD-STQMWFEESA-N 1 0 293.367 0.227 10 0 CCAERO CC(C)[C@@H](C(=O)OC(C)(C)C)N1CC[C@@H]([NH3+])C1=O ZINC000096034540 185068314 /nfs/dbraw/zinc/06/83/14/185068314.db2.gz KWMDQUJXUPYKEV-ZJUUUORDSA-N 1 0 256.346 0.912 10 0 CCAERO CNC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)C3CCCC3)C[C@H]2C1 ZINC000096094223 185096145 /nfs/dbraw/zinc/09/61/45/185096145.db2.gz YQRMKJQPESZGPH-UONOGXRCSA-N 1 0 293.411 0.703 10 0 CCAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000093796647 349553536 /nfs/dbraw/zinc/55/35/36/349553536.db2.gz YVEVLZGIXGMPME-OUAUKWLOSA-N 1 0 274.386 0.020 10 0 CCAERO COc1ccc(F)c(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000094855055 349577452 /nfs/dbraw/zinc/57/74/52/349577452.db2.gz VZJGYTPOSUCLPS-HQJQHLMTSA-N 1 0 254.261 0.496 10 0 CCAERO C[C@H](c1cnccn1)S(=O)(=O)N[C@H]1CCC[NH2+]C1 ZINC000095068149 349585434 /nfs/dbraw/zinc/58/54/34/349585434.db2.gz XNUFQEPYCLVRBB-ZJUUUORDSA-N 1 0 270.358 0.209 10 0 CCAERO C[C@H](c1cnccn1)S(=O)(=O)N1CCCC[C@@H]1C[NH3+] ZINC000095068137 349585564 /nfs/dbraw/zinc/58/55/64/349585564.db2.gz DYBXTHAGFAILTM-GHMZBOCLSA-N 1 0 284.385 0.681 10 0 CCAERO [NH3+]C[C@@H]1CCCN(S(=O)(=O)Cc2cccnc2)C1 ZINC000095072538 349587892 /nfs/dbraw/zinc/58/78/92/349587892.db2.gz YXRNHIBHHVTEFM-NSHDSACASA-N 1 0 269.370 0.582 10 0 CCAERO COC(=O)c1coc(C[NH2+][C@H]2CCOC[C@H]2O)c1 ZINC000600210545 361891261 /nfs/dbraw/zinc/89/12/61/361891261.db2.gz LCTXHIJYLJXLSV-WDEREUQCSA-N 1 0 255.270 0.306 10 0 CCAERO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CC[NH2+]C[C@@H]2O ZINC000096957347 185140471 /nfs/dbraw/zinc/14/04/71/185140471.db2.gz OTPYJVOMAOGGIV-GXFFZTMASA-N 1 0 256.346 0.968 10 0 CCAERO CC[C@@H]1C(=O)NCCN1C(=O)C1CCC(C[NH3+])CC1 ZINC000097031647 185155318 /nfs/dbraw/zinc/15/53/18/185155318.db2.gz LKDJEBZXAHMRIM-HTAVTVPLSA-N 1 0 267.373 0.489 10 0 CCAERO CC(C)[C@H]([NH3+])C(=O)N1CC[C@]2(CC[C@@H](CO)C2)C1 ZINC000100245783 349656518 /nfs/dbraw/zinc/65/65/18/349656518.db2.gz IPZLJBLCLWPKBR-DYEKYZERSA-N 1 0 254.374 0.981 10 0 CCAERO CC[N@H+](CCNC(=O)NCCCN1CCCC1=O)C1CC1 ZINC000101972247 349673209 /nfs/dbraw/zinc/67/32/09/349673209.db2.gz CLGWKJFVPCTGIO-UHFFFAOYSA-N 1 0 296.415 0.782 10 0 CCAERO C[C@H]1C[C@H]1NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000103268644 349695323 /nfs/dbraw/zinc/69/53/23/349695323.db2.gz FMWMYLVZMJHOPC-QWHCGFSZSA-N 1 0 294.399 0.344 10 0 CCAERO C[C@H]1CN(C(=O)CNC(=O)c2cccc(F)c2)C[C@@H]1[NH3+] ZINC000335519447 212207820 /nfs/dbraw/zinc/20/78/20/212207820.db2.gz PRGNPFHXEVLGOT-CABZTGNLSA-N 1 0 279.315 0.361 10 0 CCAERO CC(C)(C)OC[C@H](O)C[N@@H+]1CCCN(C(N)=O)CC1 ZINC000111688001 349775430 /nfs/dbraw/zinc/77/54/30/349775430.db2.gz XJBPPHSKPGFDBT-LLVKDONJSA-N 1 0 273.377 0.249 10 0 CCAERO C[C@@H](CNC(=O)N[C@H]1CCc2ncnn2C1)[N@H+](C)C1CC1 ZINC000112749032 349792434 /nfs/dbraw/zinc/79/24/34/349792434.db2.gz UDSKQKYBKFMMCH-QWRGUYRKSA-N 1 0 292.387 0.375 10 0 CCAERO CCOC(=O)c1cnc(N2C[C@@H]([NH3+])C[C@H]2C)nc1C ZINC000600963052 362103261 /nfs/dbraw/zinc/10/32/61/362103261.db2.gz QRSXPGKEWGKVJU-SCZZXKLOSA-N 1 0 264.329 0.888 10 0 CCAERO 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FVUKZFBUOMIWNG-YUMQZZPRSA-N 1 0 267.295 0.865 10 0 CCAERO CCC[C@]1(C(=O)N2CCNC(=O)[C@@H]2C)CCC[NH2+]C1 ZINC000104135506 185905381 /nfs/dbraw/zinc/90/53/81/185905381.db2.gz PPFPHMVOCJNOHX-FZMZJTMJSA-N 1 0 267.373 0.503 10 0 CCAERO [NH3+]C[C@@H]1CCN(CN2C(=O)c3ccccc3C2=O)C1 ZINC000050248532 348472240 /nfs/dbraw/zinc/47/22/40/348472240.db2.gz LRXPJGYNZXFKAY-JTQLQIEISA-N 1 0 259.309 0.521 10 0 CCAERO C[NH2+][C@H](C)C(=O)N1CCN(Cc2ccncc2)CC1 ZINC000054074770 348541290 /nfs/dbraw/zinc/54/12/90/348541290.db2.gz JHMLVAYJDINBTA-GFCCVEGCSA-N 1 0 262.357 0.334 10 0 CCAERO CCN(CC)C(=O)CN(C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054291434 348547950 /nfs/dbraw/zinc/54/79/50/348547950.db2.gz CMZKSKPKZIZCRK-GFCCVEGCSA-N 1 0 269.389 0.703 10 0 CCAERO COCCCN(CCOC)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054291833 348548127 /nfs/dbraw/zinc/54/81/27/348548127.db2.gz UKXGPEYCORYJGT-CYBMUJFWSA-N 1 0 272.389 0.888 10 0 CCAERO COC(=O)C1CCN(C(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000054305746 348548921 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DPVGUIAVYMSYBN-CYBMUJFWSA-N 1 0 283.416 0.698 10 0 CCAERO CCO[C@@H](C)c1noc(CN2CCO[C@H](C[NH+](C)C)C2)n1 ZINC000120737008 350002100 /nfs/dbraw/zinc/00/21/00/350002100.db2.gz GDLDJLHIKBMHCE-NWDGAFQWSA-N 1 0 298.387 0.930 10 0 CCAERO C[C@]1(C(=O)Nc2ccc(-n3cncn3)nc2)CCC[NH2+]1 ZINC000079514167 349181325 /nfs/dbraw/zinc/18/13/25/349181325.db2.gz XXOMHLWTVVWVEU-CYBMUJFWSA-N 1 0 272.312 0.743 10 0 CCAERO COC(=O)CCCN(C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089456853 349387841 /nfs/dbraw/zinc/38/78/41/349387841.db2.gz DBEZDFKGOIPWPP-GHMZBOCLSA-N 1 0 256.346 0.773 10 0 CCAERO CC[C@@H]1CN(Cc2ccnn2C)CC[N@@H+]1C[C@@H](C)O ZINC000120742568 350003196 /nfs/dbraw/zinc/00/31/96/350003196.db2.gz IEQWUAWGULVPPB-CHWSQXEVSA-N 1 0 266.389 0.697 10 0 CCAERO O=C(CCOC1CC[NH2+]CC1)N[C@H]1CCCC[C@H]1O ZINC000104389234 185989214 /nfs/dbraw/zinc/98/92/14/185989214.db2.gz BQDIBJUJIZLHSP-QWHCGFSZSA-N 1 0 270.373 0.565 10 0 CCAERO CC(C)CC(=O)NCCC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000121225955 350028435 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CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@H]1CCc2ncnn2C1 ZINC000105871930 186080849 /nfs/dbraw/zinc/08/08/49/186080849.db2.gz NFZAGHNEVUJNPA-MNOVXSKESA-N 1 0 279.388 0.876 10 0 CCAERO COC(=O)[C@@H]1CCCCN1C(=O)C[C@H]([NH3+])C(C)C ZINC000136383760 350421641 /nfs/dbraw/zinc/42/16/41/350421641.db2.gz GEOJAAIEPITUTD-QWRGUYRKSA-N 1 0 256.346 0.914 10 0 CCAERO COCC[N@@H+]1CCN(Cc2nccn2C)C[C@@H]1C ZINC000105833863 186075164 /nfs/dbraw/zinc/07/51/64/186075164.db2.gz UFPKGUAISYTMSZ-LBPRGKRZSA-N 1 0 252.362 0.573 10 0 CCAERO CC[C@@H]1CN(CC(=O)NC(C)C)CC[N@@H+]1CCOC ZINC000105835877 186076432 /nfs/dbraw/zinc/07/64/32/186076432.db2.gz LFDQCRRETKYERD-CYBMUJFWSA-N 1 0 271.405 0.554 10 0 CCAERO CCNC(=O)CC[N@@H+]1CCN(CCOCC)[C@H](C)C1 ZINC000105835351 186076511 /nfs/dbraw/zinc/07/65/11/186076511.db2.gz NMHFBOYSKFRNCI-CYBMUJFWSA-N 1 0 271.405 0.555 10 0 CCAERO CC[C@H]1CN(C[C@H](O)COC(C)C)CC[N@@H+]1CCOC ZINC000105903053 186087691 /nfs/dbraw/zinc/08/76/91/186087691.db2.gz AMNKFDWMEQNNOV-GJZGRUSLSA-N 1 0 288.432 0.815 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286.416 0.567 10 0 CCAERO C[NH+](C)C[C@H]1CN(c2ncnc3nc[nH]c32)CCO1 ZINC000108951989 389100294 /nfs/dbraw/zinc/10/02/94/389100294.db2.gz VFEKCMOLXDBJLT-VIFPVBQESA-N 1 0 262.317 0.120 10 0 CCAERO COc1cc(C)nc(N2CCCO[C@@H](C[NH3+])C2)n1 ZINC000313374714 389114192 /nfs/dbraw/zinc/11/41/92/389114192.db2.gz XDIYXJVATFRTHR-JTQLQIEISA-N 1 0 252.318 0.348 10 0 CCAERO C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000315115766 389117950 /nfs/dbraw/zinc/11/79/50/389117950.db2.gz OWFHSPGROCYQKS-WFASDCNBSA-N 1 0 297.399 0.090 10 0 CCAERO CCCCOC[C@@H](O)CN(CC)[C@@H]1CCS(=O)(=O)C1 ZINC000195185016 389118281 /nfs/dbraw/zinc/11/82/81/389118281.db2.gz KFHIZJDJRBVEFW-OLZOCXBDSA-N 1 0 293.429 0.673 10 0 CCAERO CO[C@H](C)CS(=O)(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000195316385 389123554 /nfs/dbraw/zinc/12/35/54/389123554.db2.gz QTYBFDHPGMRRPP-TUAOUCFPSA-N 1 0 278.418 0.669 10 0 CCAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000324483754 389126704 /nfs/dbraw/zinc/12/67/04/389126704.db2.gz 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CC[C@@H](C(=O)OC)N1CC[N@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000247215992 389237891 /nfs/dbraw/zinc/23/78/91/389237891.db2.gz QEMWUFMVMBTCJI-XQQFMLRXSA-N 1 0 272.389 0.715 10 0 CCAERO CCOCC[N@@H+]1CCN(Cc2nccn2C)C[C@H]1C ZINC000247438956 389239577 /nfs/dbraw/zinc/23/95/77/389239577.db2.gz ZRLHWQQKXUAXRA-CYBMUJFWSA-N 1 0 266.389 0.963 10 0 CCAERO CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000408382187 389345190 /nfs/dbraw/zinc/34/51/90/389345190.db2.gz PUBIBLJVEOZCFU-PWSUYJOCSA-N 1 0 267.373 0.583 10 0 CCAERO C[C@H](O)CN1CCN(C(=O)[C@H](O)C2CCCCC2)C[C@@H]1C ZINC000408417295 389348945 /nfs/dbraw/zinc/34/89/45/389348945.db2.gz UGLUKSVZQSVYCQ-KCQAQPDRSA-N 1 0 298.427 0.841 10 0 CCAERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(C)[C@@H]2CCNC2=O)C1 ZINC000332756851 389366295 /nfs/dbraw/zinc/36/62/95/389366295.db2.gz RVIYSBXQZYVYLX-QWHCGFSZSA-N 1 0 296.415 0.494 10 0 CCAERO CC(C)C[NH+]1CCN(C[C@H](O)CN2CCCC2=O)CC1 ZINC000171882967 389481049 /nfs/dbraw/zinc/48/10/49/389481049.db2.gz GTCLEHDILHUAJY-AWEZNQCLSA-N 1 0 283.416 0.243 10 0 CCAERO C[C@H](C(=O)NCCC(=O)NC(C)(C)C)C1C[NH2+]C1 ZINC000164763185 389436318 /nfs/dbraw/zinc/43/63/18/389436318.db2.gz NUDPFBSVGAEBGT-VIFPVBQESA-N 1 0 255.362 0.263 10 0 CCAERO CC(C)c1nc2c(n1C)CCN(C(=O)N[C@H]1CC[NH2+]C1)C2 ZINC000333676002 389439698 /nfs/dbraw/zinc/43/96/98/389439698.db2.gz NYCNGLQVLFDAKO-NSHDSACASA-N 1 0 291.399 0.973 10 0 CCAERO Cc1cnn([C@@H]2CCCN(C(=O)N[C@@H]3CC[NH2+]C3)C2)c1 ZINC000333737005 389441367 /nfs/dbraw/zinc/44/13/67/389441367.db2.gz XAIGUBGMCCHZBM-CHWSQXEVSA-N 1 0 277.372 0.900 10 0 CCAERO C[C@@H]1CN(C(=O)C[N@@H+]2CCCC[C@@H](CO)C2)C[C@@H](C)O1 ZINC000374051000 389540720 /nfs/dbraw/zinc/54/07/20/389540720.db2.gz PNYLBHNYCWXIRS-MGPQQGTHSA-N 1 0 284.400 0.717 10 0 CCAERO CC[C@@H](O)C[NH+]1CCN(Cc2cncn2C)CC1 ZINC000177083594 389570688 /nfs/dbraw/zinc/57/06/88/389570688.db2.gz ZKPXVHPQTPNEEH-CYBMUJFWSA-N 1 0 252.362 0.309 10 0 CCAERO Cc1nn(C)c(C)c1CC(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000335432809 389560805 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CCC[C@H](C(=O)NCCCn1ccnn1)[NH+](C)C ZINC000182728097 389715478 /nfs/dbraw/zinc/71/54/78/389715478.db2.gz CFDMDNZAJLSOEF-LLVKDONJSA-N 1 0 253.350 0.515 10 0 CCAERO CCc1nn(C)cc1CN1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000180726679 389674196 /nfs/dbraw/zinc/67/41/96/389674196.db2.gz PAIDPODPAUMRQJ-SKDRFNHKSA-N 1 0 266.345 0.057 10 0 CCAERO CC[C@@H](O)CN1CCN(C(=O)N[C@@H](COC)C2CC2)CC1 ZINC000182032164 389698095 /nfs/dbraw/zinc/69/80/95/389698095.db2.gz FTBXFMGKJWBBEK-KGLIPLIRSA-N 1 0 299.415 0.510 10 0 CCAERO CC[C@@H]1CN(C(=O)N[C@@H]2CCOC2)CC[N@@H+]1C[C@@H](C)O ZINC000182039774 389698501 /nfs/dbraw/zinc/69/85/01/389698501.db2.gz DQJMQOBQEFHUIW-JHJVBQTASA-N 1 0 285.388 0.262 10 0 CCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000378954566 389760765 /nfs/dbraw/zinc/76/07/65/389760765.db2.gz KQEVHGHFESVWEC-ICGCDAGXSA-N 1 0 260.337 0.616 10 0 CCAERO CCc1nn(C)cc1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000388885537 389770989 /nfs/dbraw/zinc/77/09/89/389770989.db2.gz DYXLPNNHCNTILK-HOSYDEDBSA-N 1 0 262.357 0.792 10 0 CCAERO CCCCn1nnnc1CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000389022383 389771054 /nfs/dbraw/zinc/77/10/54/389771054.db2.gz ZRUKXQYWSGMPSL-TUAOUCFPSA-N 1 0 264.377 0.642 10 0 CCAERO CN(C[C@H](O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1)C1CC1 ZINC000398790409 389785149 /nfs/dbraw/zinc/78/51/49/389785149.db2.gz NGJGXJZRRYVFPG-MXYBEHONSA-N 1 0 268.401 0.534 10 0 CCAERO C[C@@H](OCc1ccccc1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000404422778 389811113 /nfs/dbraw/zinc/81/11/13/389811113.db2.gz JULCPXQGPVVVSM-OCCSQVGLSA-N 1 0 278.352 0.696 10 0 CCAERO C[C@@H]1C[N@H+](CC(=O)N2C[C@H](C)C[C@@H](C)C2)C[C@H]1C(N)=O ZINC000408048052 389822490 /nfs/dbraw/zinc/82/24/90/389822490.db2.gz KTMIQDATKVWTBI-FDYHWXHSSA-N 1 0 281.400 0.544 10 0 CCAERO O[C@@H]1C[NH2+]C[C@@H]1CNc1ncnc2sccc21 ZINC000420240859 389971296 /nfs/dbraw/zinc/97/12/96/389971296.db2.gz MJECOFPXZDBUIS-VXNVDRBHSA-N 1 0 250.327 0.684 10 0 CCAERO Cc1ccnc(S(=O)(=O)N2CCCC[C@H]2C[NH3+])c1 ZINC000095069191 184930847 /nfs/dbraw/zinc/93/08/47/184930847.db2.gz RBJXCXBPKUYHGW-NSHDSACASA-N 1 0 269.370 0.892 10 0 CCAERO CN(C(=O)CCn1ccccc1=O)[C@@H]1CCC[NH2+]CC1 ZINC000644111368 390135954 /nfs/dbraw/zinc/13/59/54/390135954.db2.gz OAIMYVWNYBMAGQ-CYBMUJFWSA-N 1 0 277.368 0.839 10 0 CCAERO O=C([C@@H]1C[NH2+]CCOC1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000643645268 390487864 /nfs/dbraw/zinc/48/78/64/390487864.db2.gz NUWLFOFOVNVEBC-AGIUHOORSA-N 1 0 268.357 0.392 10 0 CCAERO COC[C@@]1(C(=O)NCc2ccnc(C)n2)CCC[NH2+]1 ZINC000643650554 390489427 /nfs/dbraw/zinc/48/94/27/390489427.db2.gz DVMQGWWUUMTURM-CYBMUJFWSA-N 1 0 264.329 0.170 10 0 CCAERO CCN(C[C@@H]1CCCO1)C(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643658601 390492437 /nfs/dbraw/zinc/49/24/37/390492437.db2.gz VEPLCJNIBQLQEJ-JSGCOSHPSA-N 1 0 270.373 0.783 10 0 CCAERO COCCC1(C(=O)NC[C@H]2CCC[C@@H]2O)CC[NH2+]CC1 ZINC000643668561 390496336 /nfs/dbraw/zinc/49/63/36/390496336.db2.gz XASBQTHGNUZGTC-OLZOCXBDSA-N 1 0 284.400 0.670 10 0 CCAERO COC[C@@]1(C(=O)NC2CCSCC2)CCC[NH2+]1 ZINC000643672134 390496673 /nfs/dbraw/zinc/49/66/73/390496673.db2.gz FEQISVSAHUHMCF-GFCCVEGCSA-N 1 0 258.387 0.767 10 0 CCAERO O=C(NCc1cccc(CO)c1)[C@H]1C[NH2+]CCOC1 ZINC000643680269 390498562 /nfs/dbraw/zinc/49/85/62/390498562.db2.gz HPJDIYLRFIAWNT-ZDUSSCGKSA-N 1 0 264.325 0.031 10 0 CCAERO CC1(C)CN(C(=O)[C@@H]2C[NH2+]CCOC2)CCS1 ZINC000643705840 390506795 /nfs/dbraw/zinc/50/67/95/390506795.db2.gz CFEOWMGZRPVYSY-SNVBAGLBSA-N 1 0 258.387 0.576 10 0 CCAERO COCCC1(C(=O)NC[C@H](C)C[C@H](C)O)CC[NH2+]CC1 ZINC000643711321 390509608 /nfs/dbraw/zinc/50/96/08/390509608.db2.gz PETNMQYJIJVZQS-OLZOCXBDSA-N 1 0 286.416 0.916 10 0 CCAERO COC[C@@]1(C(=O)N2CCO[C@H](C(F)(F)F)C2)CCC[NH2+]1 ZINC000643710307 390509958 /nfs/dbraw/zinc/50/99/58/390509958.db2.gz ZXQAQOCSIWDXSG-GXSJLCMTSA-N 1 0 296.289 0.545 10 0 CCAERO COC[C@]1(C(=O)N2CCC3(C2)CCOCC3)CCC[NH2+]1 ZINC000643727859 390518923 /nfs/dbraw/zinc/51/89/23/390518923.db2.gz PEBOQXRUBGYKOF-HNNXBMFYSA-N 1 0 282.384 0.784 10 0 CCAERO COC[C@@]1(C(=O)N[C@@H](C)C2CCOCC2)CCC[NH2+]1 ZINC000643712569 390510656 /nfs/dbraw/zinc/51/06/56/390510656.db2.gz WJLLFHAPZGMCKV-SMDDNHRTSA-N 1 0 270.373 0.686 10 0 CCAERO COc1ccc(CCNC(=O)[C@H]2C[NH2+]CCOC2)cc1 ZINC000643615669 390470524 /nfs/dbraw/zinc/47/05/24/390470524.db2.gz UDRRJEUTQHEMLJ-ZDUSSCGKSA-N 1 0 278.352 0.590 10 0 CCAERO COc1ccccc1CNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643615926 390470574 /nfs/dbraw/zinc/47/05/74/390470574.db2.gz BOENXARQMUNNDG-GFCCVEGCSA-N 1 0 264.325 0.547 10 0 CCAERO CCc1nc(CNC(=O)[C@@H]2C[NH2+]CCOC2)cs1 ZINC000649328889 390586989 /nfs/dbraw/zinc/58/69/89/390586989.db2.gz PBRQIHIAIMZHFG-SECBINFHSA-N 1 0 269.370 0.558 10 0 CCAERO COC[C@]1(C(=O)N[C@@H]2C[C@H](OC)C2(C)C)CCC[NH2+]1 ZINC000643729219 390519661 /nfs/dbraw/zinc/51/96/61/390519661.db2.gz UCWREYKSHAXHEL-SUNKGSAMSA-N 1 0 270.373 0.685 10 0 CCAERO COC[C@]1(C(=O)NCCCn2ccnc2)CCC[NH2+]1 ZINC000649276296 390544271 /nfs/dbraw/zinc/54/42/71/390544271.db2.gz JOKOHLKEXICTLB-ZDUSSCGKSA-N 1 0 266.345 0.158 10 0 CCAERO COC[C@]1(C(=O)N2CC[C@H](C)[C@@H](OC)C2)CCC[NH2+]1 ZINC000643782043 390548335 /nfs/dbraw/zinc/54/83/35/390548335.db2.gz XFBWPJAPJJKUPH-OBJOEFQTSA-N 1 0 270.373 0.638 10 0 CCAERO COC[C@]1(C(=O)N2CCN(C(C)C)CC2)CCC[NH2+]1 ZINC000649286161 390552037 /nfs/dbraw/zinc/55/20/37/390552037.db2.gz YFVLAACKZJFRKH-AWEZNQCLSA-N 1 0 269.389 0.308 10 0 CCAERO CCOC(=O)[C@H]1CCCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000571346052 390732209 /nfs/dbraw/zinc/73/22/09/390732209.db2.gz YYVJNIYGBFSATG-NWDGAFQWSA-N 1 0 268.357 0.930 10 0 CCAERO Cn1cc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c(=O)n(C)c1=O ZINC000647251847 390798208 /nfs/dbraw/zinc/79/82/08/390798208.db2.gz MSODLENJGWZHGP-MVWJERBFSA-N 1 0 263.341 0.362 10 0 CCAERO C[C@@H]1C[C@@H](C[NH2+]C[C@@H](O)CN2CCOCC2)C[C@H](C)O1 ZINC000571672162 390747799 /nfs/dbraw/zinc/74/77/99/390747799.db2.gz SYLHWDMMRLRNRI-LXTVHRRPSA-N 1 0 286.416 0.473 10 0 CCAERO OC[C@@H]1C[NH+](Cc2cnc3ccccc3n2)C[C@H]1CO ZINC000528598302 285416673 /nfs/dbraw/zinc/41/66/73/285416673.db2.gz JLQFDYHVIDWVEC-RYUDHWBXSA-N 1 0 273.336 0.662 10 0 CCAERO Cc1conc1NC(=O)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000190086033 130058620 /nfs/dbraw/zinc/05/86/20/130058620.db2.gz QKHXLZAGPZJICM-QWRGUYRKSA-N 1 0 292.339 0.617 10 0 CCAERO CCc1nn(C)c(OC)c1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000237066926 131002108 /nfs/dbraw/zinc/00/21/08/131002108.db2.gz GWAYEAUHPMHWGN-LLVKDONJSA-N 1 0 266.345 0.359 10 0 CCAERO [NH3+]CCNC(=O)CC[S@@](=O)c1ccc2c(c1)OCCO2 ZINC000237870264 131062835 /nfs/dbraw/zinc/06/28/35/131062835.db2.gz HHSIJBNBFNWDPR-HXUWFJFHSA-N 1 0 298.364 0.030 10 0 CCAERO O=C([C@@H]1CCC[NH2+]1)N1CCN(c2cccc(O)c2)CC1 ZINC000237988557 131070687 /nfs/dbraw/zinc/07/06/87/131070687.db2.gz CGGHBWQXENJSDT-AWEZNQCLSA-N 1 0 275.352 0.793 10 0 CCAERO Cc1ccc([C@H](O)CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1 ZINC000261713944 131164266 /nfs/dbraw/zinc/16/42/66/131164266.db2.gz IXHFYZWWIHNATR-MCIONIFRSA-N 1 0 278.352 0.651 10 0 CCAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NC2CCCC2)cn1 ZINC000261862594 131173782 /nfs/dbraw/zinc/17/37/82/131173782.db2.gz CGWJGHMSIVOROA-OLZOCXBDSA-N 1 0 262.357 0.782 10 0 CCAERO Cn1c(CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)nc2ccccc21 ZINC000261860547 131174090 /nfs/dbraw/zinc/17/40/90/131174090.db2.gz SDQRKCZWJQQJMW-MFKMUULPSA-N 1 0 288.351 0.696 10 0 CCAERO O=C(C[C@H]1COCC[NH2+]1)NC[C@@H](O)c1ccc(F)cc1 ZINC000262282583 131208150 /nfs/dbraw/zinc/20/81/50/131208150.db2.gz XJRHAUNBPGBRLP-QWHCGFSZSA-N 1 0 282.315 0.354 10 0 CCAERO CN1C[C@H](C[NH2+]Cc2cccc3c2OCO3)CC1=O ZINC000657698295 413052211 /nfs/dbraw/zinc/05/22/11/413052211.db2.gz UTDXMVLMSGKNPE-JTQLQIEISA-N 1 0 262.309 0.983 10 0 CCAERO O=C(Nc1cccc(-c2ncc[nH]2)c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262519547 131228674 /nfs/dbraw/zinc/22/86/74/131228674.db2.gz NPMMBVWXZXQSCQ-RYUDHWBXSA-N 1 0 272.308 0.738 10 0 CCAERO C[C@H](C[C@H](O)c1ccccc1)NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262557519 131233186 /nfs/dbraw/zinc/23/31/86/131233186.db2.gz VJNKPJOTUYLLCD-SAXRGWBVSA-N 1 0 278.352 0.338 10 0 CCAERO C[NH2+]C[C@@H](O)CN1C(=O)COc2ccc(Cl)cc21 ZINC000034974367 134786853 /nfs/dbraw/zinc/78/68/53/134786853.db2.gz PVHQRROBWZHDJE-SECBINFHSA-N 1 0 270.716 0.646 10 0 CCAERO COC1(C(=O)N[C@H](C)C(=O)N2CCCCC2)CC[NH2+]CC1 ZINC000178415989 292096642 /nfs/dbraw/zinc/09/66/42/292096642.db2.gz FNVAKKKDKRQUJY-GFCCVEGCSA-N 1 0 297.399 0.272 10 0 CCAERO CC(C)(C)CS(=O)(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000658409016 413139268 /nfs/dbraw/zinc/13/92/68/413139268.db2.gz URLACXHHCATJGG-UHFFFAOYSA-N 1 0 288.373 0.106 10 0 CCAERO CCC[C@@H]([NH3+])C(=O)Nc1ccc(F)c(C(N)=O)c1 ZINC000037026643 397379349 /nfs/dbraw/zinc/37/93/49/397379349.db2.gz AFGCRZCZHWENRY-SNVBAGLBSA-N 1 0 253.277 0.991 10 0 CCAERO O=C(NCC1C[NH2+]C1)c1cccc(-n2ccnc2)c1 ZINC000261965067 143930289 /nfs/dbraw/zinc/93/02/89/143930289.db2.gz SLRODJOCJCADCM-UHFFFAOYSA-N 1 0 256.309 0.822 10 0 CCAERO CC(C)(C)c1nc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cs1 ZINC000262059484 143934312 /nfs/dbraw/zinc/93/43/12/143934312.db2.gz ATEUFLDIFJFTMY-WCBMZHEXSA-N 1 0 283.397 0.751 10 0 CCAERO CCNC(=O)CCCC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000262125134 143939677 /nfs/dbraw/zinc/93/96/77/143939677.db2.gz WLSJVTDSPXBDCP-LLVKDONJSA-N 1 0 269.389 0.879 10 0 CCAERO COCCCNC(=O)CN(C)C(=O)C1CCC([NH3+])CC1 ZINC000037824395 397388958 /nfs/dbraw/zinc/38/89/58/397388958.db2.gz ITQQPTGQSYFNPM-UHFFFAOYSA-N 1 0 285.388 0.115 10 0 CCAERO CC[N@H+](C)C[C@H](O)CN1CCC[C@@H]1c1cnn(C)c1 ZINC000382414208 397490921 /nfs/dbraw/zinc/49/09/21/397490921.db2.gz HBCNONXEDJRBAH-UONOGXRCSA-N 1 0 266.389 0.870 10 0 CCAERO C[C@@H]1C[C@H](NC(=O)C(C)(C)N2CC[NH2+]CC2)[C@@H](C)O1 ZINC000384921864 397497948 /nfs/dbraw/zinc/49/79/48/397497948.db2.gz PLLIGPLEZSEADZ-UTUOFQBUSA-N 1 0 269.389 0.352 10 0 CCAERO C[C@@H](COCc1ccccc1)NC(=O)COCC[NH3+] ZINC000390702651 397512368 /nfs/dbraw/zinc/51/23/68/397512368.db2.gz AGZQKZNFSZDMFW-LBPRGKRZSA-N 1 0 266.341 0.683 10 0 CCAERO [NH3+]C[C@@H](COCc1ccccc1)N1CCOCC1 ZINC000584635996 397583273 /nfs/dbraw/zinc/58/32/73/397583273.db2.gz GQPNBKLJNOQZON-AWEZNQCLSA-N 1 0 250.342 0.863 10 0 CCAERO CCn1ccnc1CN1CCN(CCC[NH3+])CC1 ZINC000649414800 397608993 /nfs/dbraw/zinc/60/89/93/397608993.db2.gz YRGKFGSQCOJOJM-UHFFFAOYSA-N 1 0 251.378 0.369 10 0 CCAERO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[C@H]1Cn1ccnn1 ZINC000333787225 296579455 /nfs/dbraw/zinc/57/94/55/296579455.db2.gz FOGQPQOMMSQPLQ-AGIUHOORSA-N 1 0 292.387 0.450 10 0 CCAERO CO[C@H]1C[C@@H](C(=O)N2CCCC[C@H]2C[C@@H](C)O)[N@H+](C)C1 ZINC000408062235 286081835 /nfs/dbraw/zinc/08/18/35/286081835.db2.gz YHTURURZDWNTRY-RFGFWPKPSA-N 1 0 284.400 0.858 10 0 CCAERO CCOCCS(=O)(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000168570674 286123938 /nfs/dbraw/zinc/12/39/38/286123938.db2.gz HNSOQAIYTRGIHB-JTQLQIEISA-N 1 0 250.364 0.070 10 0 CCAERO CCO[C@@H]1COC[C@H]1NC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000333750602 286231012 /nfs/dbraw/zinc/23/10/12/286231012.db2.gz JZCHPBNXEACRHF-UMSGYPCISA-N 1 0 285.388 0.559 10 0 CCAERO CCO[C@@H]1C[C@H]([NH2+]CC[C@@H](O)COC)C12CCOCC2 ZINC000248987007 286387190 /nfs/dbraw/zinc/38/71/90/286387190.db2.gz KFQOHIKRVFMQRK-HZSPNIEDSA-N 1 0 287.400 0.948 10 0 CCAERO C[C@@H]([NH3+])C(=O)NC[C@@H]1COC2(CCCCCC2)O1 ZINC000158242653 286906657 /nfs/dbraw/zinc/90/66/57/286906657.db2.gz SOZUVPWJKDKNIV-GHMZBOCLSA-N 1 0 256.346 0.916 10 0 CCAERO COC[C@]1(C(=O)NC[C@@]2(C)CC2(F)F)CCC[NH2+]1 ZINC000659362086 413445100 /nfs/dbraw/zinc/44/51/00/413445100.db2.gz ODIMMYNEUOTUIK-MNOVXSKESA-N 1 0 262.300 0.917 10 0 CCAERO C[C@@H]1CCCC[C@@H]1NC(=O)Cn1cc(C[NH3+])nn1 ZINC000050224709 411677409 /nfs/dbraw/zinc/67/74/09/411677409.db2.gz WHLVURHOWVUCTB-KOLCDFICSA-N 1 0 251.334 0.432 10 0 CCAERO CC[C@H]1CCCCN1C(=O)Cn1cc(C[NH3+])nn1 ZINC000050224285 411678205 /nfs/dbraw/zinc/67/82/05/411678205.db2.gz NLJOEMAMHJTFEZ-NSHDSACASA-N 1 0 251.334 0.528 10 0 CCAERO C[C@H]1CCCCN1C(=O)Cn1cc(C(C)(C)[NH3+])nn1 ZINC000070118163 411690025 /nfs/dbraw/zinc/69/00/25/411690025.db2.gz LPZISZRCNZGWSP-JTQLQIEISA-N 1 0 265.361 0.873 10 0 CCAERO CC(C)([NH3+])c1cn(CC(=O)NCc2ccccc2F)nn1 ZINC000070118787 411690674 /nfs/dbraw/zinc/69/06/74/411690674.db2.gz CIKKKXQAOSYSDS-UHFFFAOYSA-N 1 0 291.330 0.927 10 0 CCAERO [NH3+]CCc1ccccc1C(=O)N[C@H]1CCCNC1=O ZINC000070542227 411691794 /nfs/dbraw/zinc/69/17/94/411691794.db2.gz FFTOSTCPTHJALM-LBPRGKRZSA-N 1 0 261.325 0.196 10 0 CCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN(c2ccc(O)cc2)CC1 ZINC000111267852 411701197 /nfs/dbraw/zinc/70/11/97/411701197.db2.gz TZIRALBZAUXCLO-IUODEOHRSA-N 1 0 289.379 0.896 10 0 CCAERO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CNC(=O)C1 ZINC000110432840 411702091 /nfs/dbraw/zinc/70/20/91/411702091.db2.gz ZPPSNLTYHJHYLJ-NWDGAFQWSA-N 1 0 269.389 0.749 10 0 CCAERO COC[C@@]1(C(=O)NCC[C@@H]2CCCO2)CC[NH2+]C1 ZINC000311022254 411746944 /nfs/dbraw/zinc/74/69/44/411746944.db2.gz CISKRHSROGJFFY-WCQYABFASA-N 1 0 256.346 0.298 10 0 CCAERO C[C@H](NC(=O)C(C)(C)N1CC[NH2+]CC1)c1ccccn1 ZINC000129604979 411719862 /nfs/dbraw/zinc/71/98/62/411719862.db2.gz NKQFFSGLKPTNLX-LBPRGKRZSA-N 1 0 276.384 0.943 10 0 CCAERO CC(C)(C(=O)N1CCO[C@H]2CCCC[C@H]21)N1CC[NH2+]CC1 ZINC000129657938 411721040 /nfs/dbraw/zinc/72/10/40/411721040.db2.gz CUSFXMDCTFMRGK-KGLIPLIRSA-N 1 0 295.427 0.840 10 0 CCAERO C[C@@H]1CSC[C@@H]1[NH2+][C@H]1COC[C@H]1n1ccnn1 ZINC000408452302 297189527 /nfs/dbraw/zinc/18/95/27/297189527.db2.gz MHBUOIJWMWPMFC-VPOLOUISSA-N 1 0 254.359 0.559 10 0 CCAERO CCOC(=O)C1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000020269774 171125382 /nfs/dbraw/zinc/12/53/82/171125382.db2.gz FEIKQZAOQGWUNS-LBPRGKRZSA-N 1 0 268.357 0.788 10 0 CCAERO CNC(=O)NC(=O)[C@@H](C)Oc1ccc([C@@H](C)[NH3+])cc1 ZINC000020419304 171183835 /nfs/dbraw/zinc/18/38/35/171183835.db2.gz IGZFZVYZPVSURH-RKDXNWHRSA-N 1 0 265.313 0.929 10 0 CCAERO CN(C)S(=O)(=O)NC1(C[NH3+])CCCCCCC1 ZINC000020431628 171196881 /nfs/dbraw/zinc/19/68/81/171196881.db2.gz ATYKMDVMRCOXEB-UHFFFAOYSA-N 1 0 263.407 0.824 10 0 CCAERO [NH3+]Cc1ccccc1CS(=O)(=O)NC[C@@H]1CCCO1 ZINC000020557508 171250395 /nfs/dbraw/zinc/25/03/95/171250395.db2.gz KVZHOBPWLRRVHQ-ZDUSSCGKSA-N 1 0 284.381 0.744 10 0 CCAERO COc1ccc(NC(=O)CC[NH+]2CCN(C)CC2)c(N)c1 ZINC000022153861 171360769 /nfs/dbraw/zinc/36/07/69/171360769.db2.gz ULEHGBQSNDCJHZ-UHFFFAOYSA-N 1 0 292.383 0.853 10 0 CCAERO O=C(N[C@H]1CCCCNC1=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653065827 412207854 /nfs/dbraw/zinc/20/78/54/412207854.db2.gz VEPZCUYBIIYFQJ-HLTSFMKQSA-N 1 0 293.289 0.169 10 0 CCAERO CC(C)[C@H](CCO)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653088908 412213972 /nfs/dbraw/zinc/21/39/72/412213972.db2.gz QWBAESAWVZZMCJ-BBBLOLIVSA-N 1 0 282.306 0.908 10 0 CCAERO CC(C)O[C@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000653198628 412257709 /nfs/dbraw/zinc/25/77/09/412257709.db2.gz FZVTVPAVMQFLIJ-OLZOCXBDSA-N 1 0 270.373 0.638 10 0 CCAERO CC[C@H](CCO)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653091929 412215816 /nfs/dbraw/zinc/21/58/16/412215816.db2.gz MWZABBBWKIPCKB-OPRDCNLKSA-N 1 0 282.306 0.909 10 0 CCAERO O=C(NCCn1cccn1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653148546 412242276 /nfs/dbraw/zinc/24/22/76/412242276.db2.gz BYECZGFLOASLEA-RKDXNWHRSA-N 1 0 276.262 0.397 10 0 CCAERO CC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCOC2)[C@@H](CC)CO1 ZINC000653176965 412253789 /nfs/dbraw/zinc/25/37/89/412253789.db2.gz HFIPFVVUZPDPLD-FRRDWIJNSA-N 1 0 270.373 0.638 10 0 CCAERO C[C@@H]([NH2+][C@@H](C)C(N)=O)c1ccc2c(c1)OCCO2 ZINC000035138344 172005392 /nfs/dbraw/zinc/00/53/92/172005392.db2.gz LVHNERIDEQWEAW-BDAKNGLRSA-N 1 0 250.298 0.982 10 0 CCAERO CC(C)NC(=O)C[NH2+][C@H](C)C(=O)N1CCCCC1 ZINC000035140966 172008348 /nfs/dbraw/zinc/00/83/48/172008348.db2.gz CIQLPIYNSPDUSK-LLVKDONJSA-N 1 0 255.362 0.502 10 0 CCAERO CC(C)CCNC(=O)[C@H](C)[NH2+]CC(=O)NC(C)C ZINC000035207166 172051588 /nfs/dbraw/zinc/05/15/88/172051588.db2.gz VGYCPFQUWHGMRH-NSHDSACASA-N 1 0 257.378 0.651 10 0 CCAERO c1ccc(-n2nnnc2NCCCN2CC[NH2+]CC2)cc1 ZINC000035307786 172121111 /nfs/dbraw/zinc/12/11/11/172121111.db2.gz AJASGAFCAZHNPB-UHFFFAOYSA-N 1 0 287.371 0.370 10 0 CCAERO NS(=O)(=O)c1ccccc1N[C@@H]1C[NH+]2CCC1CC2 ZINC000035353395 172144248 /nfs/dbraw/zinc/14/42/48/172144248.db2.gz IZWXXLHVIKFJHX-GFCCVEGCSA-N 1 0 281.381 0.840 10 0 CCAERO CC[NH+](CC)CCNS(=O)(=O)c1ccc(NN)cc1 ZINC000035354435 172145054 /nfs/dbraw/zinc/14/50/54/172145054.db2.gz WANVPUIHSKNPLH-UHFFFAOYSA-N 1 0 286.401 0.592 10 0 CCAERO COC[C@@H](C)NS(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000035679214 172349566 /nfs/dbraw/zinc/34/95/66/172349566.db2.gz WZUNWOOFXPZURV-MRVPVSSYSA-N 1 0 278.399 0.563 10 0 CCAERO C[NH2+]C[C@@H](O)COc1c(OC)cc(C)cc1OC ZINC000035679083 172349966 /nfs/dbraw/zinc/34/99/66/172349966.db2.gz PYSKFBWWIMPSOZ-SNVBAGLBSA-N 1 0 255.314 0.971 10 0 CCAERO O=S1(=O)C[C@@H](NC2CC[NH2+]CC2)c2ccccc21 ZINC000035688500 172356485 /nfs/dbraw/zinc/35/64/85/172356485.db2.gz UEJBKZZJIKWGLA-GFCCVEGCSA-N 1 0 266.366 0.857 10 0 CCAERO Cn1nnnc1SCCOc1cccc(C[NH3+])c1 ZINC000035722687 172378304 /nfs/dbraw/zinc/37/83/04/172378304.db2.gz NZPWGFBMDVSKAX-UHFFFAOYSA-N 1 0 265.342 0.840 10 0 CCAERO CN(C(=O)c1cc2c(s1)CCC2)[C@@H]1C[NH2+]C[C@H]1O ZINC000036261328 172554005 /nfs/dbraw/zinc/55/40/05/172554005.db2.gz DNEXTXCAABMIMU-NXEZZACHSA-N 1 0 266.366 0.642 10 0 CCAERO [NH3+][C@@H]1C[C@@H]1NS(=O)(=O)c1cccc2c1N=S=N2 ZINC000036264770 172559123 /nfs/dbraw/zinc/55/91/23/172559123.db2.gz GPGOCWFRQGWQTH-VDTYLAMSSA-N 1 0 270.339 0.791 10 0 CCAERO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3cc[nH]c3)C[C@@H]2C1 ZINC000036267310 172562286 /nfs/dbraw/zinc/56/22/86/172562286.db2.gz VWMDMRHCQWIEDR-OUAUKWLOSA-N 1 0 269.370 0.763 10 0 CCAERO CC(=O)NCCNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000036746627 172675156 /nfs/dbraw/zinc/67/51/56/172675156.db2.gz SITLAMJDESRSNE-UHFFFAOYSA-N 1 0 250.302 0.403 10 0 CCAERO [NH3+]CCNC(=O)C(=O)Nc1cccc2ccccc21 ZINC000037243447 173058642 /nfs/dbraw/zinc/05/86/42/173058642.db2.gz VQZFYJXJJLOLAH-UHFFFAOYSA-N 1 0 257.293 0.853 10 0 CCAERO C[N@H+](CCC(=O)Nc1cccc(N)c1)CC(N)=O ZINC000037268174 173079126 /nfs/dbraw/zinc/07/91/26/173079126.db2.gz ZEUUDKHSQHLSKK-UHFFFAOYSA-N 1 0 250.302 0.015 10 0 CCAERO C[N@H+](CCCOc1ccccc1C(N)=S)CC(N)=O ZINC000037268607 173080617 /nfs/dbraw/zinc/08/06/17/173080617.db2.gz FHCUYGFLTRPORV-UHFFFAOYSA-N 1 0 281.381 0.507 10 0 CCAERO C[C@H]1CCC[C@H](C(=O)NCCCN2CCOCC2)[NH2+]1 ZINC000037393635 173174303 /nfs/dbraw/zinc/17/43/03/173174303.db2.gz PDUPJWSKVPJGBL-QWHCGFSZSA-N 1 0 269.389 0.356 10 0 CCAERO COc1ccc(CC[NH3+])cc1OC[C@@H](C)C(N)=O ZINC000037721819 173640287 /nfs/dbraw/zinc/64/02/87/173640287.db2.gz QDLWFMUFNFYHPC-SECBINFHSA-N 1 0 252.314 0.697 10 0 CCAERO CNC(=O)COc1c(C[C@H](C)[NH3+])cccc1OC ZINC000037727674 173646602 /nfs/dbraw/zinc/64/66/02/173646602.db2.gz BZWOZCOYOGPZMZ-VIFPVBQESA-N 1 0 252.314 0.710 10 0 CCAERO O=S(=O)(NCC[C@H]1CCCC[NH2+]1)c1cn[nH]c1 ZINC000037744994 173667232 /nfs/dbraw/zinc/66/72/32/173667232.db2.gz HZULFUUMFZEFME-SECBINFHSA-N 1 0 258.347 0.220 10 0 CCAERO C[C@@H](CN1CCCC1=O)NC(=O)C[NH2+]C1CCCC1 ZINC000037769344 173700258 /nfs/dbraw/zinc/70/02/58/173700258.db2.gz RGYUZAVIIWIGAG-NSHDSACASA-N 1 0 267.373 0.646 10 0 CCAERO O=C([C@H]1C[C@@H](O)C[NH2+]1)N(Cc1cccs1)C1CC1 ZINC000037806395 173748294 /nfs/dbraw/zinc/74/82/94/173748294.db2.gz BOODPKOJWOZXFW-ZYHUDNBSSA-N 1 0 266.366 0.962 10 0 CCAERO CC[C@@H](C)[NH2+]CC(=O)N1C[C@H](C(N)=O)CC[C@@H]1C ZINC000037821609 173774919 /nfs/dbraw/zinc/77/49/19/173774919.db2.gz NNCZUFVZAGFGFV-OUAUKWLOSA-N 1 0 255.362 0.487 10 0 CCAERO CC[C@H]1CCCN1C(=O)[C@H]([NH3+])CCS(C)(=O)=O ZINC000037915002 173849615 /nfs/dbraw/zinc/84/96/15/173849615.db2.gz NKUSMTFCFFICJN-VHSXEESVSA-N 1 0 262.375 0.149 10 0 CCAERO O=C(C[NH2+]C[C@H]1COCCO1)Nc1ccc(F)cc1 ZINC000037999935 173962389 /nfs/dbraw/zinc/96/23/89/173962389.db2.gz XQHXAADYIZHMLQ-LBPRGKRZSA-N 1 0 268.288 0.769 10 0 CCAERO CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCCCNC1=O ZINC000038014736 173987678 /nfs/dbraw/zinc/98/76/78/173987678.db2.gz FZOAIBPNCUOWDM-WDEREUQCSA-N 1 0 255.362 0.550 10 0 CCAERO C[C@@H](CNC(=O)[C@@H]1CSCN1)[NH+]1CCCCC1 ZINC000038029410 174020737 /nfs/dbraw/zinc/02/07/37/174020737.db2.gz QQYFNLWASYBBEK-QWRGUYRKSA-N 1 0 257.403 0.640 10 0 CCAERO C[C@@H](C(=O)NC(N)=O)N(CC[NH3+])Cc1ccccc1 ZINC000038033176 174030622 /nfs/dbraw/zinc/03/06/22/174030622.db2.gz IYMDCKCHVVKKNI-JTQLQIEISA-N 1 0 264.329 0.031 10 0 CCAERO O=C(NCc1cccnc1)[C@H]1CCCN1C1CC[NH2+]CC1 ZINC000038042998 174048565 /nfs/dbraw/zinc/04/85/65/174048565.db2.gz NJRGAMGYQSJAIA-OAHLLOKOSA-N 1 0 288.395 0.914 10 0 CCAERO Cc1noc(CNC(=O)[C@H]2CCCN2C2CC[NH2+]CC2)n1 ZINC000038043372 174050220 /nfs/dbraw/zinc/05/02/20/174050220.db2.gz SWNBVFQZFCTDPI-GFCCVEGCSA-N 1 0 293.371 0.211 10 0 CCAERO CCCN1C(=O)C[C@H]([NH2+]C[C@@H]2CCCOC2)C1=O ZINC000038045238 174053344 /nfs/dbraw/zinc/05/33/44/174053344.db2.gz VVULBKSEYRDSCR-QWRGUYRKSA-N 1 0 254.330 0.540 10 0 CCAERO CCOCCOC[C@@H](O)C[NH2+]CCc1ccco1 ZINC000038059369 174069324 /nfs/dbraw/zinc/06/93/24/174069324.db2.gz OBXYCAWZSCJYKL-LBPRGKRZSA-N 1 0 257.330 0.826 10 0 CCAERO CC(C)[NH2+]CCCC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000038083739 174093612 /nfs/dbraw/zinc/09/36/12/174093612.db2.gz FVPLVCQHFCQIIH-LLVKDONJSA-N 1 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XLFQQIYOGLWNNS-AVGNSLFASA-N 1 0 259.346 0.169 10 0 CCAERO CC(C)OCCOC[C@@H](O)C[NH2+]CC[C@@H]1CCCO1 ZINC000038096668 174111235 /nfs/dbraw/zinc/11/12/35/174111235.db2.gz PIGQLXXROWAPKR-KBPBESRZSA-N 1 0 275.389 0.948 10 0 CCAERO COC(=O)C[C@H]1CCCCN1C(=O)C[NH2+]C(C)C ZINC000038101966 174118352 /nfs/dbraw/zinc/11/83/52/174118352.db2.gz YZMYGSFILKKIDY-LLVKDONJSA-N 1 0 256.346 0.929 10 0 CCAERO O=C(OCc1ccccc1)N1CC[NH2+]C[C@H]1CO ZINC000039952227 174177065 /nfs/dbraw/zinc/17/70/65/174177065.db2.gz DUSWOUMCIHZHBH-LBPRGKRZSA-N 1 0 250.298 0.589 10 0 CCAERO O=C([C@@H]1CCCN1C/C=C/Cl)N1CC[NH2+]CC1 ZINC000040508412 174303262 /nfs/dbraw/zinc/30/32/62/174303262.db2.gz QLTIQIVJQAVXFW-FWEMWIAWSA-N 1 0 257.765 0.635 10 0 CCAERO FC1(F)C[C@@H]1OCCN1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000662285461 414706112 /nfs/dbraw/zinc/70/61/12/414706112.db2.gz KBQUURRYHUEGAE-DCAQKATOSA-N 1 0 262.300 0.473 10 0 CCAERO CC(C)n1nnnc1CN1C[C@H](C)[C@](C)(CO)C1 ZINC000662132787 414691701 /nfs/dbraw/zinc/69/17/01/414691701.db2.gz BDDYPHAISDGJOG-JQWIXIFHSA-N 1 0 253.350 0.704 10 0 CCAERO CN1C[C@@H](CNC(=O)CC2(C[NH3+])CCCCC2)CC1=O ZINC000662693300 414742113 /nfs/dbraw/zinc/74/21/13/414742113.db2.gz JEVUNUAJIRPUSI-GFCCVEGCSA-N 1 0 281.400 0.880 10 0 CCAERO C[NH+](C)[C@H]1CCN(C(=O)C(C)(C)n2cc(N)cn2)C1 ZINC000662789524 414795699 /nfs/dbraw/zinc/79/56/99/414795699.db2.gz YZHUNWKBITVJGT-NSHDSACASA-N 1 0 265.361 0.363 10 0 CCAERO C[C@H](CNC(=O)[C@H]1C[NH2+]CCOC1)c1ccccn1 ZINC000662843678 414836200 /nfs/dbraw/zinc/83/62/00/414836200.db2.gz UOTPHKRMKORUNK-NEPJUHHUSA-N 1 0 263.341 0.537 10 0 CCAERO O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)[C@H]1C[NH2+]CCOC1 ZINC000662873678 414857956 /nfs/dbraw/zinc/85/79/56/414857956.db2.gz OWMMIOWPTWECCM-VOAKCMCISA-N 1 0 252.358 0.775 10 0 CCAERO C[C@@H]1CCC[C@H](CNC(=O)[C@H]2C[NH2+]CCOC2)O1 ZINC000662875042 414860329 /nfs/dbraw/zinc/86/03/29/414860329.db2.gz NHKBPXKZLXDXFW-GRYCIOLGSA-N 1 0 256.346 0.296 10 0 CCAERO Cc1cc(C)n(CC(=O)N(C)[C@H](C[NH3+])C(F)(F)F)n1 ZINC000662981997 414934341 /nfs/dbraw/zinc/93/43/41/414934341.db2.gz TXOFANOQGQVCNE-SECBINFHSA-N 1 0 278.278 0.848 10 0 CCAERO CO[C@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)C1CCCC1 ZINC000662922400 414894765 /nfs/dbraw/zinc/89/47/65/414894765.db2.gz UUCPYYPBYMUKQZ-IJLUTSLNSA-N 1 0 256.346 0.031 10 0 CCAERO CCN(CC(=O)N(C)CCC[NH3+])CC(F)(F)F ZINC000042739703 174861363 /nfs/dbraw/zinc/86/13/63/174861363.db2.gz ZJMBUPKOYGLRDO-UHFFFAOYSA-N 1 0 255.284 0.678 10 0 CCAERO O=C([C@H]1C[C@H](O)C[NH2+]1)N(CC(F)(F)F)C1CC1 ZINC000042779132 174875452 /nfs/dbraw/zinc/87/54/52/174875452.db2.gz YJFZBVZXVZYZQM-JGVFFNPUSA-N 1 0 252.236 0.263 10 0 CCAERO CC(C)OCCOC[C@@H](O)C[NH2+]C[C@H]1CCCCO1 ZINC000042819340 174886609 /nfs/dbraw/zinc/88/66/09/174886609.db2.gz FWJQBJQZPGLCMR-UONOGXRCSA-N 1 0 275.389 0.948 10 0 CCAERO O=C1c2ccccc2S(=O)(=O)N1C[C@@H]1CCC[NH2+]1 ZINC000043495957 175058024 /nfs/dbraw/zinc/05/80/24/175058024.db2.gz WCXUBFCJLGOYSZ-VIFPVBQESA-N 1 0 266.322 0.583 10 0 CCAERO C[C@H]1CCCC[C@H]1N(C)S(=O)(=O)N1CC[NH2+]CC1 ZINC000044374961 175168514 /nfs/dbraw/zinc/16/85/14/175168514.db2.gz VGLJTLAUWGXCHU-NWDGAFQWSA-N 1 0 275.418 0.647 10 0 CCAERO CCN(C(=O)c1ccc(O)cc1O)[C@H]1CC[NH2+]C1 ZINC000071312659 176119138 /nfs/dbraw/zinc/11/91/38/176119138.db2.gz JNHNOYYJEPNSCV-VIFPVBQESA-N 1 0 250.298 0.922 10 0 CCAERO C[C@@H]1CCC[NH2+][C@@H]1CNS(=O)(=O)C[C@@H]1CCCO1 ZINC000071339186 176129481 /nfs/dbraw/zinc/12/94/81/176129481.db2.gz CYDCIGFHURZHAL-GRYCIOLGSA-N 1 0 276.402 0.473 10 0 CCAERO CCCn1c(C[NH3+])nnc1SCC(=O)NC(=O)OC ZINC000071375277 176140585 /nfs/dbraw/zinc/14/05/85/176140585.db2.gz HSRYVAIRMNROCM-UHFFFAOYSA-N 1 0 287.345 0.122 10 0 CCAERO [NH3+]C[C@H](CC(=O)NC[C@H]1CCCO1)c1cccnc1 ZINC000076678212 177056928 /nfs/dbraw/zinc/05/69/28/177056928.db2.gz VDMCFGOHFVISHO-QWHCGFSZSA-N 1 0 263.341 0.809 10 0 CCAERO C[NH2+]CCN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000076714400 177068490 /nfs/dbraw/zinc/06/84/90/177068490.db2.gz AOYWTLTYNZUWDG-UHFFFAOYSA-N 1 0 272.370 0.989 10 0 CCAERO CS(=O)(=O)N1CC[C@@H]([NH3+])[C@H](C(F)(F)F)CC1 ZINC000685945931 545871931 /nfs/dbraw/zinc/87/19/31/545871931.db2.gz GQMFCZGUCBQELT-RNFRBKRXSA-N 1 0 260.281 0.548 10 0 CCAERO CS(=O)(=O)N[C@@H]1CC[NH2+]CC[C@@H]1C(F)(F)F ZINC000685945961 545872705 /nfs/dbraw/zinc/87/27/05/545872705.db2.gz HQONMZBOOMMECX-NKWVEPMBSA-N 1 0 260.281 0.466 10 0 CCAERO CS(=O)(=O)c1cnn([C@H](C[NH3+])c2ccsc2)c1 ZINC000725252176 545877581 /nfs/dbraw/zinc/87/75/81/545877581.db2.gz KBDKINAXSKUZSP-SNVBAGLBSA-N 1 0 271.367 0.896 10 0 CCAERO CS(=O)(=O)c1cnn(CC[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000725252024 545877319 /nfs/dbraw/zinc/87/73/19/545877319.db2.gz JNXIUXWFQITGPS-ONGXEEELSA-N 1 0 257.359 0.804 10 0 CCAERO C[C@@H]([NH3+])[C@@H](c1cccnc1)n1cc(S(C)(=O)=O)cn1 ZINC000725252893 545878346 /nfs/dbraw/zinc/87/83/46/545878346.db2.gz PJXVNJZZKCWZLP-SKDRFNHKSA-N 1 0 280.353 0.618 10 0 CCAERO COCCCNC(=S)Nc1ccnn1C1C[NH2+]C1 ZINC000725258058 545879679 /nfs/dbraw/zinc/87/96/79/545879679.db2.gz FAQRPPPZZDBMAM-UHFFFAOYSA-N 1 0 269.374 0.350 10 0 CCAERO O=C1C[C@@H]([NH+]2CCC(CO)CC2)C[C@H](C(F)(F)F)N1 ZINC000725263106 545883876 /nfs/dbraw/zinc/88/38/76/545883876.db2.gz MWLNGRYAUCGJMF-VHSXEESVSA-N 1 0 280.290 0.900 10 0 CCAERO Nc1csc(C(=O)Nc2ccnn2C2C[NH2+]C2)c1 ZINC000725258508 545882024 /nfs/dbraw/zinc/88/20/24/545882024.db2.gz QXNOFEXMULPKRJ-UHFFFAOYSA-N 1 0 263.326 0.923 10 0 CCAERO COC(=O)C1CCN(c2cc3c(nn2)CC[N@H+](C)C3)CC1 ZINC000725264763 545885280 /nfs/dbraw/zinc/88/52/80/545885280.db2.gz BWFOURACALHJFP-UHFFFAOYSA-N 1 0 290.367 0.854 10 0 CCAERO CCS(=O)(=O)N1CCC2(CC1)C[NH2+]C[C@@H](C)O2 ZINC000725272651 545887567 /nfs/dbraw/zinc/88/75/67/545887567.db2.gz SQLPTZXFWWECLB-SNVBAGLBSA-N 1 0 262.375 0.179 10 0 CCAERO C[C@H]([NH2+]CCC(N)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000025695018 544419962 /nfs/dbraw/zinc/41/99/62/544419962.db2.gz AXDUVVMNEUHOFL-VIFPVBQESA-N 1 0 270.354 0.616 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)CC(=O)N1CCCC1 ZINC000094647491 544545700 /nfs/dbraw/zinc/54/57/00/544545700.db2.gz CPRVBHXLFANIMT-NWDGAFQWSA-N 1 0 267.373 0.455 10 0 CCAERO CCN(CC)C(=O)CN(C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089457269 544514639 /nfs/dbraw/zinc/51/46/39/544514639.db2.gz YOJYWRDVAYGWCX-VXGBXAGGSA-N 1 0 269.389 0.688 10 0 CCAERO C[C@@H](NC(=O)c1cn(CC[NH3+])nn1)c1cccs1 ZINC000089698614 544516220 /nfs/dbraw/zinc/51/62/20/544516220.db2.gz RHKRJKLFUMYLRK-MRVPVSSYSA-N 1 0 265.342 0.789 10 0 CCAERO CN(CC(=O)N1CCCC1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091543159 544528497 /nfs/dbraw/zinc/52/84/97/544528497.db2.gz NFANXHNVAMLNOV-QWRGUYRKSA-N 1 0 253.346 0.195 10 0 CCAERO NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000097092368 544553683 /nfs/dbraw/zinc/55/36/83/544553683.db2.gz CTCOXCJRELTBHB-RKDXNWHRSA-N 1 0 283.353 0.400 10 0 CCAERO C[C@@H]1CN(C(=O)COC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000111757134 544562601 /nfs/dbraw/zinc/56/26/01/544562601.db2.gz MJYLVYVFVULUQQ-GHMZBOCLSA-N 1 0 256.346 0.391 10 0 CCAERO CCn1nccc1C[NH2+]C[C@@H]1CN(CC)CCO1 ZINC000125327666 544590083 /nfs/dbraw/zinc/59/00/83/544590083.db2.gz IRGMHNCPSSVOBT-CYBMUJFWSA-N 1 0 252.362 0.713 10 0 CCAERO O=C(CC[C@H]1CC[NH2+]C1)N1CC[C@@H](N2CCOCC2)C1 ZINC000134562867 544631030 /nfs/dbraw/zinc/63/10/30/544631030.db2.gz JPGOYBVGELBIDM-UONOGXRCSA-N 1 0 281.400 0.309 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1cccnc1-n1cncn1 ZINC000136422658 544639159 /nfs/dbraw/zinc/63/91/59/544639159.db2.gz NZIPYPXOAHHPNG-JTQLQIEISA-N 1 0 274.328 0.974 10 0 CCAERO CCN(CC)C(=O)N1CCN(C(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000136400058 544639357 /nfs/dbraw/zinc/63/93/57/544639357.db2.gz MNHOJQYCGOKAEE-CYBMUJFWSA-N 1 0 298.431 0.966 10 0 CCAERO CNC(=O)[C@H]([NH2+]CCn1c(C)csc1=O)C(C)C ZINC000183654261 544769116 /nfs/dbraw/zinc/76/91/16/544769116.db2.gz BNMZDTDNGLGGAP-SNVBAGLBSA-N 1 0 271.386 0.578 10 0 CCAERO CNC(=O)[C@H]([NH2+]CC(=O)NC1CCCC1)C(C)C ZINC000183684252 544769727 /nfs/dbraw/zinc/76/97/27/544769727.db2.gz AYLOAWBCCGBRBA-GFCCVEGCSA-N 1 0 255.362 0.405 10 0 CCAERO C[C@H](CNC(=O)CCCCc1c[nH]nn1)N1CCOCC1 ZINC000184644985 544773765 /nfs/dbraw/zinc/77/37/65/544773765.db2.gz RQZPLURKLHBVNZ-GFCCVEGCSA-N 1 0 295.387 0.354 10 0 CCAERO COc1cnccc1[C@@H](C)[NH2+]C[C@@H](O)CN1CCCC1=O ZINC000187109544 544782227 /nfs/dbraw/zinc/78/22/27/544782227.db2.gz OHBREFMKSHQSHM-VXGBXAGGSA-N 1 0 293.367 0.724 10 0 CCAERO C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)COCc1ccco1 ZINC000226442885 544829742 /nfs/dbraw/zinc/82/97/42/544829742.db2.gz HXFPCLMPUKUKDB-DMDPSCGWSA-N 1 0 255.314 0.924 10 0 CCAERO Cc1n[nH]cc1S(=O)(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000226464117 544832134 /nfs/dbraw/zinc/83/21/34/544832134.db2.gz JKVXFCFAZMRLIU-JTQLQIEISA-N 1 0 272.374 0.481 10 0 CCAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000227800570 544838134 /nfs/dbraw/zinc/83/81/34/544838134.db2.gz AHZGKPSAAFJVKN-MCIONIFRSA-N 1 0 281.400 0.437 10 0 CCAERO CNC(=O)[C@@H]1CCCN(C(=O)C[C@H]([NH3+])C(C)C)C1 ZINC000232281960 544862762 /nfs/dbraw/zinc/86/27/62/544862762.db2.gz PTHNCPCUHNTCSE-MNOVXSKESA-N 1 0 255.362 0.344 10 0 CCAERO COc1ccnc(Cn2cc(C(C)(C)[NH3+])nn2)c1OC ZINC000232198830 544862954 /nfs/dbraw/zinc/86/29/54/544862954.db2.gz BCGMWGNQRTWLSV-UHFFFAOYSA-N 1 0 277.328 0.932 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000250643819 544923669 /nfs/dbraw/zinc/92/36/69/544923669.db2.gz INWKMJGNGNCWOI-UHTWSYAYSA-N 1 0 279.384 0.631 10 0 CCAERO CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@H]2CCC[C@H](O)C2)C1(C)C ZINC000253366439 544933940 /nfs/dbraw/zinc/93/39/40/544933940.db2.gz RNJXFRZDUATECK-OHTBPHCPSA-N 1 0 284.400 0.939 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1c[nH]nc1-c1ccccc1 ZINC000262068280 544937783 /nfs/dbraw/zinc/93/77/83/544937783.db2.gz BJMGJTRTOVZLFX-DGCLKSJQSA-N 1 0 286.335 0.387 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(C(F)(F)F)cn1 ZINC000262123714 544940479 /nfs/dbraw/zinc/94/04/79/544940479.db2.gz GBEPRJOUJMZXSO-XVKPBYJWSA-N 1 0 289.257 0.411 10 0 CCAERO Cc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c(C)n1C(C)C ZINC000262133000 544942394 /nfs/dbraw/zinc/94/23/94/544942394.db2.gz GOVLAJMWKSRHFV-JSGCOSHPSA-N 1 0 279.384 0.996 10 0 CCAERO C[C@H](Oc1ccc(F)cc1)C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262148547 544942485 /nfs/dbraw/zinc/94/24/85/544942485.db2.gz HPVAPQWOLNEVQP-OUJBWJOFSA-N 1 0 282.315 0.290 10 0 CCAERO CNC(=O)[C@H]1CCCN1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333879688 545044111 /nfs/dbraw/zinc/04/41/11/545044111.db2.gz VZHVRYAQPCFMQS-WDEREUQCSA-N 1 0 268.361 0.049 10 0 CCAERO CO[C@@H]1C[C@@H](CO)[N@H+](C[C@H]2COc3ccccc3O2)C1 ZINC000312515435 545013469 /nfs/dbraw/zinc/01/34/69/545013469.db2.gz NRYHSNMLWKGWRK-XQQFMLRXSA-N 1 0 279.336 0.908 10 0 CCAERO O=C(NC[C@H]1CC[NH2+]C1)N[C@@H]1COc2ccccc2C1 ZINC000333952293 545044738 /nfs/dbraw/zinc/04/47/38/545044738.db2.gz ZVHILBIQWDACID-AAEUAGOBSA-N 1 0 275.352 0.899 10 0 CCAERO c1ncn(C[C@@H]2C[N@H+](C[C@@H]3CCOC3)CCO2)n1 ZINC000328674093 545018243 /nfs/dbraw/zinc/01/82/43/545018243.db2.gz PSTWEOPYOXJWFI-RYUDHWBXSA-N 1 0 252.318 0.015 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000333606582 545040888 /nfs/dbraw/zinc/04/08/88/545040888.db2.gz RGRVRYAGDKMMSE-DEQVHRJGSA-N 1 0 292.383 0.754 10 0 CCAERO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CCCC(=O)N1 ZINC000333685180 545041692 /nfs/dbraw/zinc/04/16/92/545041692.db2.gz FOIZIYTZHXDPQO-QWRGUYRKSA-N 1 0 253.346 0.208 10 0 CCAERO CC1(C)CN(C(=O)[C@@H]2CC(F)(F)CN2)CC[C@@H]1[NH3+] ZINC000335971486 276125044 /nfs/dbraw/zinc/12/50/44/276125044.db2.gz YGBINOICWZDRMJ-IUCAKERBSA-N 1 0 261.316 0.569 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCNC(=O)CC1 ZINC000175381745 276171561 /nfs/dbraw/zinc/17/15/61/276171561.db2.gz GYJFNQILQXYNRX-LLVKDONJSA-N 1 0 268.361 0.002 10 0 CCAERO CCC[C@](C)([NH3+])C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000062976871 276291751 /nfs/dbraw/zinc/29/17/51/276291751.db2.gz ZSLZLPBQKRSSEA-JSGCOSHPSA-N 1 0 269.389 0.437 10 0 CCAERO CCOC1CC(C[N@@H+]2CCN3C(=O)N(C)C(=O)[C@@H]3C2)C1 ZINC000367061692 276309572 /nfs/dbraw/zinc/30/95/72/276309572.db2.gz HVSXDRFIXKKHIY-MCIGGMRASA-N 1 0 281.356 0.380 10 0 CCAERO C[NH+](C)[C@H]1CCN(C(=O)[C@H]2Cc3ccccc3C(=O)O2)C1 ZINC000170857248 276873503 /nfs/dbraw/zinc/87/35/03/276873503.db2.gz DURORYGFOUHRJQ-GXTWGEPZSA-N 1 0 288.347 0.931 10 0 CCAERO CN1C(=O)C[C@H]([NH2+][C@@H]2CCC(=O)NC2)c2ccccc21 ZINC000111015588 277014880 /nfs/dbraw/zinc/01/48/80/277014880.db2.gz XLZQPBCQHJOCFT-PWSUYJOCSA-N 1 0 273.336 0.962 10 0 CCAERO C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000264945628 277056967 /nfs/dbraw/zinc/05/69/67/277056967.db2.gz SFOVWZXXVDGKGE-QWHCGFSZSA-N 1 0 278.356 0.205 10 0 CCAERO CC(=O)[C@](C)(O)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000408199492 277101144 /nfs/dbraw/zinc/10/11/44/277101144.db2.gz SQBHGGWZVCWRFD-MJBXVCDLSA-N 1 0 255.358 0.953 10 0 CCAERO CC(C)(C)[NH2+]CCN1CC[C@@H](N2CCOCC2)C1 ZINC000062973830 277172817 /nfs/dbraw/zinc/17/28/17/277172817.db2.gz OLFZYQOXVDFKFY-CYBMUJFWSA-N 1 0 255.406 0.781 10 0 CCAERO COCCN1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[C@H]1C ZINC000261639131 277224325 /nfs/dbraw/zinc/22/43/25/277224325.db2.gz CJKTXLUFRNVNAP-MGPQQGTHSA-N 1 0 283.416 0.541 10 0 CCAERO COCC[N@@H+]1CCN(CCN2CCO[C@H](C)C2)C[C@H]1C ZINC000191484129 277225270 /nfs/dbraw/zinc/22/52/70/277225270.db2.gz WXDXUBYCDHTSAP-HUUCEWRRSA-N 1 0 285.432 0.360 10 0 CCAERO C[C@@H]1CN(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)CC(=O)N1C ZINC000336917229 287947705 /nfs/dbraw/zinc/94/77/05/287947705.db2.gz NFTIGYJENCOLOR-GRYCIOLGSA-N 1 0 282.388 0.341 10 0 CCAERO C[NH2+]CCN(C)C(=O)c1cccc(C(=O)N2CCCC2)n1 ZINC000263244231 277270203 /nfs/dbraw/zinc/27/02/03/277270203.db2.gz MHYAJQWZEURTSA-UHFFFAOYSA-N 1 0 290.367 0.609 10 0 CCAERO COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246507648 277323099 /nfs/dbraw/zinc/32/30/99/277323099.db2.gz FHQBDZGAGPTJGR-SRVKXCTJSA-N 1 0 284.356 0.165 10 0 CCAERO COC(=O)[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000226366121 277345267 /nfs/dbraw/zinc/34/52/67/277345267.db2.gz MXXHQAPIEXKENQ-QWRGUYRKSA-N 1 0 254.330 0.492 10 0 CCAERO CO[C@H]1C[C@@H](C(N)=O)[N@H+](C[C@@H]2CCO[C@H](C)C2)C1 ZINC000408033425 277347130 /nfs/dbraw/zinc/34/71/30/277347130.db2.gz LXQMARVWCDJZKM-WYUUTHIRSA-N 1 0 256.346 0.376 10 0 CCAERO C[C@@H]1CSCCN1C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262357981 277952677 /nfs/dbraw/zinc/95/26/77/277952677.db2.gz UZFSQKKJPDNMFX-RTXFEEFZSA-N 1 0 294.424 0.687 10 0 CCAERO CC(=O)N1CCC2(C1)CCN(C(=O)[C@H]([NH3+])C(C)C)CC2 ZINC000095088022 277984323 /nfs/dbraw/zinc/98/43/23/277984323.db2.gz CAPWWFRGCQNBGQ-CYBMUJFWSA-N 1 0 281.400 0.831 10 0 CCAERO COc1ccnc(N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)n1 ZINC000328943043 278066237 /nfs/dbraw/zinc/06/62/37/278066237.db2.gz ISDMHGSCMGCLSN-QWRGUYRKSA-N 1 0 264.329 0.395 10 0 CCAERO C[C@@H]1[C@H](O)CCCN1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333665936 278104734 /nfs/dbraw/zinc/10/47/34/278104734.db2.gz MIOWNANGUWZLCF-GRYCIOLGSA-N 1 0 255.362 0.683 10 0 CCAERO CC1(C)C(=O)NCCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089462447 278177618 /nfs/dbraw/zinc/17/76/18/278177618.db2.gz PPUMDWMEKWLVLO-NXEZZACHSA-N 1 0 253.346 0.098 10 0 CCAERO CC1(C)CN(C(=O)C(=O)N2CCC3(CCC3)C2)CC[C@@H]1[NH3+] ZINC000335026782 278291893 /nfs/dbraw/zinc/29/18/93/278291893.db2.gz ZTNIHPXCWXIKDO-LBPRGKRZSA-N 1 0 293.411 0.975 10 0 CCAERO CC(C)(C)NC(=O)NC(=O)C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000172043995 278365078 /nfs/dbraw/zinc/36/50/78/278365078.db2.gz VIQLCGZISOBCFR-QYJAPNMZSA-N 1 0 297.399 0.704 10 0 CCAERO C[C@H]1C[C@H](NC(=O)N2CCC3(CC[NH2+]3)CC2)CO1 ZINC000335367194 278494554 /nfs/dbraw/zinc/49/45/54/278494554.db2.gz DGHKSNZVTOGYNG-QWRGUYRKSA-N 1 0 253.346 0.701 10 0 CCAERO C[C@H]1OCC[C@H]1NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333615309 278522315 /nfs/dbraw/zinc/52/23/15/278522315.db2.gz RAJYBYPVEXMJNT-YRGRVCCFSA-N 1 0 267.373 0.949 10 0 CCAERO CCN(C)C(=O)[C@H](C)NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000188023894 279025953 /nfs/dbraw/zinc/02/59/53/279025953.db2.gz QFQCJGFXMLAWAT-AVGNSLFASA-N 1 0 296.415 0.731 10 0 CCAERO CC[N@H+](C)CCNS(=O)(=O)[C@H]1CCO[C@H](C)C1 ZINC000408190724 279033382 /nfs/dbraw/zinc/03/33/82/279033382.db2.gz CUCIGKMQANHGAS-MNOVXSKESA-N 1 0 264.391 0.425 10 0 CCAERO O=C(C[C@@H]1CCC[NH2+]1)N1CC[C@@H](N2CCOCC2)C1 ZINC000062976742 279789109 /nfs/dbraw/zinc/78/91/09/279789109.db2.gz BYXPKTNPTCACEK-QWHCGFSZSA-N 1 0 267.373 0.062 10 0 CCAERO O=C(NCC1C[NH2+]C1)[C@@H]1CSCN1C(=O)C1CCC1 ZINC000261924790 279837708 /nfs/dbraw/zinc/83/77/08/279837708.db2.gz AXKFKWJCQYZGFU-NSHDSACASA-N 1 0 283.397 0.024 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)C1(c2ccc(F)cc2)CC1 ZINC000262320296 279855747 /nfs/dbraw/zinc/85/57/47/279855747.db2.gz RGSZZZOVZDSYSJ-GWCFXTLKSA-N 1 0 278.327 0.554 10 0 CCAERO CCS(=O)(=O)NCC[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246625070 280024436 /nfs/dbraw/zinc/02/44/36/280024436.db2.gz KDANZYZUIXYPMR-RYUDHWBXSA-N 1 0 276.402 0.427 10 0 CCAERO O=C([C@@H]1CCNC(=O)C1)N1CCC[N@@H+](C2CC2)CC1 ZINC000178079609 280094768 /nfs/dbraw/zinc/09/47/68/280094768.db2.gz PCOYXFGDQICBMD-LLVKDONJSA-N 1 0 265.357 0.209 10 0 CCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cn(-c2ccccc2)nn1 ZINC000423681676 280114137 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C[N@H+]1C[C@H]2CN([C@H](C(N)=O)c3ccccc3)C[C@H]2C1 ZINC000193618817 290289093 /nfs/dbraw/zinc/28/90/93/290289093.db2.gz YDVMVIJIMDYQGQ-MJBXVCDLSA-N 1 0 259.353 0.706 10 0 CCAERO COc1cc(NC(=O)C(C)(C)N2CC[NH2+]CC2)ccn1 ZINC000383514882 545085067 /nfs/dbraw/zinc/08/50/67/545085067.db2.gz GFMMVSYHDFZUBK-UHFFFAOYSA-N 1 0 278.356 0.713 10 0 CCAERO CC(C)n1ncnc1CN[C@@H]1CCC[N@H+](CCO)C1 ZINC000384410029 545085225 /nfs/dbraw/zinc/08/52/25/545085225.db2.gz WJIQUNUCLYYQSC-GFCCVEGCSA-N 1 0 267.377 0.405 10 0 CCAERO NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000129125232 295075641 /nfs/dbraw/zinc/07/56/41/295075641.db2.gz FRWLURNMHUJETJ-NXEZZACHSA-N 1 0 265.317 0.151 10 0 CCAERO C[C@@H]1OCC[C@@H]1NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000333621564 297596653 /nfs/dbraw/zinc/59/66/53/297596653.db2.gz RSIBUOXTJOPLNB-NWBUJAPZSA-N 1 0 267.373 0.851 10 0 CCAERO O=C1C[C@H](C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)CN1 ZINC000400157207 545089466 /nfs/dbraw/zinc/08/94/66/545089466.db2.gz 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CCn1ccnc1CN1C(=O)N[C@@]2(CCC[NH2+]C2)C1=O ZINC000566182995 334632951 /nfs/dbraw/zinc/63/29/51/334632951.db2.gz NNDBWANKQMVIFW-CYBMUJFWSA-N 1 0 277.328 0.077 10 0 CCAERO CCOC(=O)CCCNC(=O)C[N@@H+]1CCC[C@H](O)[C@@H]1C ZINC000384849974 336132862 /nfs/dbraw/zinc/13/28/62/336132862.db2.gz BIDHEHXVGJITOS-RYUDHWBXSA-N 1 0 286.372 0.291 10 0 CCAERO CCN(CC(=O)N(C)C)C(=O)[C@H]1CCC[C@H](C[NH3+])C1 ZINC000055147492 520300317 /nfs/dbraw/zinc/30/03/17/520300317.db2.gz HDVZNNLLHBIJRN-RYUDHWBXSA-N 1 0 269.389 0.688 10 0 CCAERO C[NH2+]CC1CCN(C(=O)c2ccc(=O)oc2)CC1 ZINC000063159517 521973177 /nfs/dbraw/zinc/97/31/77/521973177.db2.gz VUARTTLQOHVQKK-UHFFFAOYSA-N 1 0 250.298 0.711 10 0 CCAERO CC(C)C[C@@H](CO)[NH2+]CC(=O)NCC(F)(F)F ZINC000049309874 519223731 /nfs/dbraw/zinc/22/37/31/519223731.db2.gz MWPGWQDSNGOAQW-QMMMGPOBSA-N 1 0 256.268 0.662 10 0 CCAERO CC(=O)NCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063189641 519650134 /nfs/dbraw/zinc/65/01/34/519650134.db2.gz RSKOBXONCLTTNM-NWDGAFQWSA-N 1 0 253.346 0.256 10 0 CCAERO CC(C)CN(CC(N)=O)C(=O)C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000055138602 519714211 /nfs/dbraw/zinc/71/42/11/519714211.db2.gz BWQGFPPPFDVPAE-NEPJUHHUSA-N 1 0 269.389 0.864 10 0 CCAERO CC(C)[NH2+]C[C@H]1CCCN1c1nccn(C)c1=O ZINC000061752630 519725089 /nfs/dbraw/zinc/72/50/89/519725089.db2.gz ITVLRHUNUXLOSE-LLVKDONJSA-N 1 0 250.346 0.747 10 0 CCAERO CC(C)[NH2+][C@@H](CCN(C)[C@@H]1CCC[N@H+](C)C1)C(=O)[O-] ZINC000062531761 519733948 /nfs/dbraw/zinc/73/39/48/519733948.db2.gz TWWFRCZJMZCTFC-OLZOCXBDSA-N 1 0 271.405 0.854 10 0 CCAERO CC(C)[C@H](C[NH+](C)C)NS(=O)(=O)c1ccnc(N)c1 ZINC000050672957 519814817 /nfs/dbraw/zinc/81/48/17/519814817.db2.gz VONZDNYTNQULGK-NSHDSACASA-N 1 0 286.401 0.528 10 0 CCAERO CC[NH2+]C1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000050198842 519908714 /nfs/dbraw/zinc/90/87/14/519908714.db2.gz MAYHQWPFJBFVLK-UHFFFAOYSA-N 1 0 276.402 0.569 10 0 CCAERO CCCCCCN(CCO)C(=O)[C@@H]([NH3+])CCOC ZINC000052808973 520075593 /nfs/dbraw/zinc/07/55/93/520075593.db2.gz TWLBPSZNONGXQZ-LBPRGKRZSA-N 1 0 260.378 0.751 10 0 CCAERO CCO[C@@H](C[NH3+])CCn1cnc2c1ncnc2N ZINC000062741464 520309498 /nfs/dbraw/zinc/30/94/98/520309498.db2.gz JNXIYBCVBBDDOA-MRVPVSSYSA-N 1 0 250.306 0.162 10 0 CCAERO CCO[C@H](C[NH3+])CCn1cnc2c1ncnc2N ZINC000062741463 520517866 /nfs/dbraw/zinc/51/78/66/520517866.db2.gz JNXIYBCVBBDDOA-QMMMGPOBSA-N 1 0 250.306 0.162 10 0 CCAERO CCOC(=O)CN(C(=O)C1(C)CC[NH2+]CC1)C1CC1 ZINC000062840828 520720533 /nfs/dbraw/zinc/72/05/33/520720533.db2.gz WAFBLCZEHHLHBG-UHFFFAOYSA-N 1 0 268.357 0.930 10 0 CCAERO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1ccnn1C ZINC000049132534 520826736 /nfs/dbraw/zinc/82/67/36/520826736.db2.gz FAXOHDLZAMPYCW-NSHDSACASA-N 1 0 267.377 0.950 10 0 CCAERO CC[N@H+](CC[C@H](NC(C)C)C(N)=O)C[C@@H]1CCCO1 ZINC000062458774 521158297 /nfs/dbraw/zinc/15/82/97/521158297.db2.gz ANYXLPASRDULRA-STQMWFEESA-N 1 0 271.405 0.729 10 0 CCAERO CCOCCCC[NH2+]CCn1nc(C)ccc1=O ZINC000061811011 521703386 /nfs/dbraw/zinc/70/33/86/521703386.db2.gz ZHXQPEQLMJYOQE-UHFFFAOYSA-N 1 0 253.346 0.958 10 0 CCAERO CC[C@@H](C(=O)N1CCc2ncnc(OC)c2C1)[NH+](C)C ZINC000151297967 521826819 /nfs/dbraw/zinc/82/68/19/521826819.db2.gz GRWIXWJPXLRJCK-LBPRGKRZSA-N 1 0 278.356 0.710 10 0 CCAERO C[NH+](C)[C@@H]1CCN(S(=O)(=O)Cc2cccc(N)c2)C1 ZINC000062965369 522052325 /nfs/dbraw/zinc/05/23/25/522052325.db2.gz XHASIFQLAGSYKD-CYBMUJFWSA-N 1 0 283.397 0.735 10 0 CCAERO CC[C@@H](C)[NH+]1CCN(CC[C@H](N)C(=O)OC)CC1 ZINC000062532047 522121759 /nfs/dbraw/zinc/12/17/59/522121759.db2.gz LJJFWYDRYNVDEM-NEPJUHHUSA-N 1 0 257.378 0.293 10 0 CCAERO CC[C@@H](C)[C@H]([NH3+])C(=O)NCCCNC(=O)C(C)C ZINC000182816170 522365614 /nfs/dbraw/zinc/36/56/14/522365614.db2.gz VXDTYMKMXZIIJL-MNOVXSKESA-N 1 0 257.378 0.638 10 0 CCAERO C[NH2+][C@@H]1CCCN(c2nc(Cl)nc(OC)n2)C1 ZINC000061514767 522387653 /nfs/dbraw/zinc/38/76/53/522387653.db2.gz UHLYEIKGAYRSMR-SSDOTTSWSA-N 1 0 257.725 0.722 10 0 CCAERO Cc1nc2ccccc2nc1NC[C@@H]1C[NH2+]C[C@H]1O ZINC000420252279 534694177 /nfs/dbraw/zinc/69/41/77/534694177.db2.gz NQAXFXXFDBDLEM-GXFFZTMASA-N 1 0 258.325 0.930 10 0 CCAERO CCn1c(S[C@@H]([C@H](C)[NH3+])C(F)(F)F)n[nH]c1=O ZINC000061594470 523244323 /nfs/dbraw/zinc/24/43/23/523244323.db2.gz UTHYIMVTUZKKFW-WHFBIAKZSA-N 1 0 270.280 0.962 10 0 CCAERO CCn1cc(CN2CCN(C[C@H](C)C[NH3+])CC2)cn1 ZINC000050539194 523371269 /nfs/dbraw/zinc/37/12/69/523371269.db2.gz LMYUHHYBDGYHHH-CYBMUJFWSA-N 1 0 265.405 0.615 10 0 CCAERO O=C(Cc1ccccc1F)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000367188690 534733833 /nfs/dbraw/zinc/73/38/33/534733833.db2.gz WGYGITXXXBOYHF-OLZOCXBDSA-N 1 0 264.300 0.567 10 0 CCAERO COCCOCCNC(=O)[C@@H]1CCC[C@@H](CC[NH3+])C1 ZINC000055162332 524008040 /nfs/dbraw/zinc/00/80/40/524008040.db2.gz AWZQAZTVMAAXCD-QWHCGFSZSA-N 1 0 272.389 0.921 10 0 CCAERO C[C@H](CN1CCCCC1)[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000049500660 524332920 /nfs/dbraw/zinc/33/29/20/524332920.db2.gz ZSDDPOSEAQNOLS-NEPJUHHUSA-N 1 0 260.403 0.638 10 0 CCAERO C[C@H](CNC(=O)C1=NNC(=O)CC1)C[NH+]1CCCC1 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C[C@@H]1CN(S(=O)(=O)C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000049632094 525038597 /nfs/dbraw/zinc/03/85/97/525038597.db2.gz VMFHTFCFEUHQRJ-AOOOYVTPSA-N 1 0 262.375 0.177 10 0 CCAERO C[C@@H]1CN(S(=O)(=O)C[C@@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000049632081 525040614 /nfs/dbraw/zinc/04/06/14/525040614.db2.gz CRKFYJQVDWGOFG-IJLUTSLNSA-N 1 0 276.402 0.425 10 0 CCAERO C[C@@H]1C[NH2+]C[C@@H](C)CN(C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000050604633 525094644 /nfs/dbraw/zinc/09/46/44/525094644.db2.gz AOJSAOHONSFMBY-UPJWGTAASA-N 1 0 274.430 0.599 10 0 CCAERO COc1ccc([C@H]([NH3+])CS(C)(=O)=O)cc1OC ZINC000054930037 525363241 /nfs/dbraw/zinc/36/32/41/525363241.db2.gz UGJOFOHCBMGYGY-SECBINFHSA-N 1 0 259.327 0.748 10 0 CCAERO Cc1c(C(=O)NC[C@H]2CCC[C@H](C)[NH2+]2)cnn1C ZINC000051573499 525625857 /nfs/dbraw/zinc/62/58/57/525625857.db2.gz GIGIWQXIEMGEKQ-GXSJLCMTSA-N 1 0 250.346 0.989 10 0 CCAERO C[C@H](O)c1ccccc1NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000049547407 525860739 /nfs/dbraw/zinc/86/07/39/525860739.db2.gz 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275.395 0.427 10 0 CCAERO CC(=O)N1CCC[C@H](C(=O)N[C@H]2C[NH+]3CCC2CC3)C1 ZINC000222565960 631571834 /nfs/dbraw/zinc/57/18/34/631571834.db2.gz ZZZCWSCVZWQOTH-KBPBESRZSA-N 1 0 279.384 0.455 10 0 CCAERO CS(=O)(=O)c1ccccc1NCCN1CCC([NH3+])CC1 ZINC000321567421 632881927 /nfs/dbraw/zinc/88/19/27/632881927.db2.gz OSORKOZNEIAWLE-UHFFFAOYSA-N 1 0 297.424 0.925 10 0 CCAERO [NH3+][C@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@H]2O3)[C@H]2CC[C@H]1C2 ZINC000245988540 633051300 /nfs/dbraw/zinc/05/13/00/633051300.db2.gz HZZAVRUFOYNXLA-FYBLVYRYSA-N 1 0 250.342 0.796 10 0 CCAERO CCON1CCC([NH2+]C[C@@H]2CN(C)CCO2)CC1 ZINC000323092634 633386633 /nfs/dbraw/zinc/38/66/33/633386633.db2.gz YXDCPJQULWRJFQ-CYBMUJFWSA-N 1 0 257.378 0.323 10 0 CCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCC1N=NC(=S)N1CC ZINC000156297164 636845432 /nfs/dbraw/zinc/84/54/32/636845432.db2.gz MFJYMDUATOCTNG-IONNQARKSA-N 1 0 271.390 0.576 10 0 CCAERO CCC[NH+]1CCN(c2ncnc3c2NC(=O)[C@@H](C)N3)CC1 ZINC000223982281 636914124 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COC(=O)[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@@H]1C ZINC000227750986 637034350 /nfs/dbraw/zinc/03/43/50/637034350.db2.gz OBYQSGRTNDRNFW-GXSJLCMTSA-N 1 0 254.330 0.348 10 0 CCAERO CCCCOC[C@H](O)Cn1cc(C[NH2+]C(C)C)nn1 ZINC000227915143 637039828 /nfs/dbraw/zinc/03/98/28/637039828.db2.gz QPJPCRCAKBKPIN-CYBMUJFWSA-N 1 0 270.377 0.954 10 0 CCAERO COC(=O)[C@H]1CN(Cc2nnc3n2CCCC3)C[C@@H]1C ZINC000228699730 637070511 /nfs/dbraw/zinc/07/05/11/637070511.db2.gz FMVIWVPTHXJABN-QWRGUYRKSA-N 1 0 278.356 0.855 10 0 CCAERO OCC(CO)[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000087753152 637147338 /nfs/dbraw/zinc/14/73/38/637147338.db2.gz SXYPNWPLWNOGNF-HNNXBMFYSA-N 1 0 261.321 0.816 10 0 CCAERO C[C@@H]1CN(C(=O)CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)CCO1 ZINC000172080551 637157043 /nfs/dbraw/zinc/15/70/43/637157043.db2.gz FXKWIVLJEKWEGF-MGPQQGTHSA-N 1 0 281.400 0.402 10 0 CCAERO CCCC[C@@H]1NC(=O)N(CN2CC[N@@H+]3CCC[C@@H]3C2)C1=O ZINC000172502690 637177339 /nfs/dbraw/zinc/17/73/39/637177339.db2.gz QGGJKEQEGNRSGM-OLZOCXBDSA-N 1 0 294.399 0.835 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cn1nnc2ccccc2c1=O ZINC000153240129 637689931 /nfs/dbraw/zinc/68/99/31/637689931.db2.gz JUMMMOKFXXPQQP-CHWSQXEVSA-N 1 0 299.378 0.918 10 0 CCAERO CC[C@H](O)C[NH+]1CCN(CC(=O)OCC(C)C)CC1 ZINC000181465877 638371196 /nfs/dbraw/zinc/37/11/96/638371196.db2.gz ICFLSGPLZUKLFQ-ZDUSSCGKSA-N 1 0 272.389 0.574 10 0 CCAERO C[C@H]([NH2+]CC(=O)N1CCC2(CC1)OCCO2)[C@H]1CCCO1 ZINC000183143977 638529868 /nfs/dbraw/zinc/52/98/68/638529868.db2.gz LCPQSPKURBKRBJ-QWHCGFSZSA-N 1 0 298.383 0.509 10 0 CCAERO NC(=O)COc1ccc(CN2CCC[C@H]2C[NH3+])cc1 ZINC000131385180 647505897 /nfs/dbraw/zinc/50/58/97/647505897.db2.gz VTPACVRPDBIPIF-LBPRGKRZSA-N 1 0 263.341 0.474 10 0 CCAERO O=C(NCCc1nnc2ccccn21)[C@H]1CCC[NH2+]C1 ZINC000040808483 649282864 /nfs/dbraw/zinc/28/28/64/649282864.db2.gz YQNKWXOGZOYLCL-NSHDSACASA-N 1 0 273.340 0.388 10 0 CCAERO Cc1ccsc1C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O ZINC000082693860 649601729 /nfs/dbraw/zinc/60/17/29/649601729.db2.gz DBZNFMLROCTYSR-RKDXNWHRSA-N 1 0 261.368 0.304 10 0 CCAERO COCC(=O)N1CCN(C(=O)[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000089391955 649655903 /nfs/dbraw/zinc/65/59/03/649655903.db2.gz CVTAIWYIEBWWCB-QWHCGFSZSA-N 1 0 297.399 0.069 10 0 CCAERO C[C@@H]([NH2+][C@@H]1CCC(=O)NC1=O)c1ccc2c(c1)OCCO2 ZINC000089755264 649662861 /nfs/dbraw/zinc/66/28/61/649662861.db2.gz LXSNJDXHZHUAFV-MWLCHTKSSA-N 1 0 290.319 0.914 10 0 CCAERO O=C(N1CCO[C@@H]2CCCC[C@@H]21)[C@@]1(F)CC[NH2+]C1 ZINC000246535270 649678993 /nfs/dbraw/zinc/67/89/93/649678993.db2.gz SBPLGZUOTUJUDC-DMDPSCGWSA-N 1 0 256.321 0.858 10 0 CCAERO [NH3+][C@H]1CC[C@@H](C(=O)NCC(=O)NCc2ccccc2)C1 ZINC000091546382 649706391 /nfs/dbraw/zinc/70/63/91/649706391.db2.gz NTCMRDXDWCQCDT-OLZOCXBDSA-N 1 0 275.352 0.546 10 0 CCAERO [NH3+][C@@H]1CC[C@H](c2nc([C@H]3CN4CCN3CC4)no2)C1 ZINC000250649017 649782654 /nfs/dbraw/zinc/78/26/54/649782654.db2.gz LGJSWDNEBIEMDL-HBNTYKKESA-N 1 0 263.345 0.337 10 0 CCAERO C[C@H]([NH3+])c1cncn1CCC(=O)N1CCOCC1 ZINC000228994702 800032022 /nfs/dbraw/zinc/03/20/22/800032022.db2.gz AOJITSQWZCNKKY-JTQLQIEISA-N 1 0 252.318 0.152 10 0 CCAERO COC(=O)CC[N@H+](CC[C@@H]1CCC[NH+]1C)CC(=O)[O-] ZINC000715711231 955114619 /nfs/dbraw/zinc/11/46/19/955114619.db2.gz VSRSDTGFIRUKLD-NSHDSACASA-N 1 0 272.345 0.420 10 0 CCAERO COC[C@@]1(C(=O)[O-])CC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000707898294 969027271 /nfs/dbraw/zinc/02/72/71/969027271.db2.gz CRWZULDFFAIKQX-TZMCWYRMSA-N 1 0 270.373 0.894 10 0 CCAERO O=C(C[NH+]1CCC(Cn2cccn2)CC1)N1CCOCC1 ZINC000090473179 349437828 /nfs/dbraw/zinc/43/78/28/349437828.db2.gz ZDAFCYYIFNEUPY-UHFFFAOYSA-N 1 0 292.383 0.454 10 0 CCAERO CN1CCO[C@H](CNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000091669303 349472928 /nfs/dbraw/zinc/47/29/28/349472928.db2.gz SCNQCPPHKBVGOD-CABCVRRESA-N 1 0 291.395 0.913 10 0 CCAERO C[C@@H](CN1CCOCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000091622048 349470518 /nfs/dbraw/zinc/47/05/18/349470518.db2.gz ITUIJMZFOFQEHF-LSDHHAIUSA-N 1 0 267.417 0.877 10 0 CCAERO Cc1[nH+]c(N(C)[C@@H]2CCS(=O)(=O)C2)ccc1N ZINC000082565718 178095371 /nfs/dbraw/zinc/09/53/71/178095371.db2.gz NHRLTUPCXORFJM-SECBINFHSA-N 1 0 255.343 0.596 10 0 CCAERO N[C@H](C[NH3+])CCCNC(=O)OCc1ccccc1 ZINC000096102692 185097825 /nfs/dbraw/zinc/09/78/25/185097825.db2.gz PDAKZXYYLRSAQA-LBPRGKRZSA-N 1 0 251.330 0.979 10 0 CCAERO C[C@@H](CN1CCOCC1)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000094647592 349571021 /nfs/dbraw/zinc/57/10/21/349571021.db2.gz SARHEWVUUZMBOJ-YNEHKIRRSA-N 1 0 269.389 0.211 10 0 CCAERO CC1(CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)COC1 ZINC000094722400 349572964 /nfs/dbraw/zinc/57/29/64/349572964.db2.gz AJRVZELUNFZIMH-ZDUSSCGKSA-N 1 0 260.337 0.854 10 0 CCAERO Cc1cc(C)nc(S(=O)(=O)C[C@H]2CCC[NH2+]2)n1 ZINC000095068841 349585098 /nfs/dbraw/zinc/58/50/98/349585098.db2.gz LEBOXKKBXHTSIG-SNVBAGLBSA-N 1 0 255.343 0.619 10 0 CCAERO O=S(=O)(Cc1ccccn1)NC[C@@H]1CCC[NH2+]1 ZINC000095073091 349587992 /nfs/dbraw/zinc/58/79/92/349587992.db2.gz GFEOMJXSKOLYHZ-JTQLQIEISA-N 1 0 255.343 0.253 10 0 CCAERO O=S(=O)(Cc1ccccn1)C[C@H]1CCC[NH2+]C1 ZINC000095073220 349588076 /nfs/dbraw/zinc/58/80/76/349588076.db2.gz VAROCPYJEGGCEJ-NSHDSACASA-N 1 0 254.355 0.996 10 0 CCAERO O=S(=O)(Cc1ccccn1)NC1CC[NH2+]CC1 ZINC000095073088 349588253 /nfs/dbraw/zinc/58/82/53/349588253.db2.gz WFSRXUFNDKESAA-UHFFFAOYSA-N 1 0 255.343 0.253 10 0 CCAERO [NH3+][C@H](CCO)C1CN(C(=O)OCc2ccccc2)C1 ZINC000095077245 349589253 /nfs/dbraw/zinc/58/92/53/349589253.db2.gz BNMSQDNQXJZJMA-CYBMUJFWSA-N 1 0 264.325 0.965 10 0 CCAERO COCC[NH2+]C[C@@H](O)COCCOc1ccccc1 ZINC000095082312 349589811 /nfs/dbraw/zinc/58/98/11/349589811.db2.gz VAXDNSTWZQXDJT-CYBMUJFWSA-N 1 0 269.341 0.679 10 0 CCAERO COC[C@@H]([NH3+])C(=O)Nc1cccc(NC(=O)OC)c1 ZINC000167830143 334931922 /nfs/dbraw/zinc/93/19/22/334931922.db2.gz RCHFYMVCVGXGDA-SNVBAGLBSA-N 1 0 267.285 0.777 10 0 CCAERO CC(=O)N[C@H]1CCC[N@H+](CCCN2CCOCC2)C1 ZINC000097727475 349646334 /nfs/dbraw/zinc/64/63/34/349646334.db2.gz BUMKYXKHERSZTH-AWEZNQCLSA-N 1 0 269.389 0.309 10 0 CCAERO Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000235350298 293104346 /nfs/dbraw/zinc/10/43/46/293104346.db2.gz OEDFVJGHXYMDGY-LDYMZIIASA-N 1 0 286.401 0.774 10 0 CCAERO O=C1C[C@@H](c2ccccc2)C(=O)N1CCN1CC[NH2+]CC1 ZINC000101111706 349661323 /nfs/dbraw/zinc/66/13/23/349661323.db2.gz DHEFZCWXCFEMGR-AWEZNQCLSA-N 1 0 287.363 0.434 10 0 CCAERO CCc1ccc(S(=O)(=O)N2CCC(O)(C[NH3+])CC2)cc1 ZINC000019680665 290645704 /nfs/dbraw/zinc/64/57/04/290645704.db2.gz KIKNFXJKMUDPJO-UHFFFAOYSA-N 1 0 298.408 0.723 10 0 CCAERO COC1CCC([NH2+][C@H]2COC[C@H]2n2ccnn2)CC1 ZINC000408033960 137825482 /nfs/dbraw/zinc/82/54/82/137825482.db2.gz BLUJYNPYUBMWJX-IFWUJCSASA-N 1 0 266.345 0.765 10 0 CCAERO C[C@@H]1C[C@H]1NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000103268642 349695209 /nfs/dbraw/zinc/69/52/09/349695209.db2.gz FMWMYLVZMJHOPC-CHWSQXEVSA-N 1 0 294.399 0.344 10 0 CCAERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)N1CCCC1 ZINC000103285582 349695656 /nfs/dbraw/zinc/69/56/56/349695656.db2.gz VMMQEOKTNHVWIB-QWRGUYRKSA-N 1 0 253.346 0.195 10 0 CCAERO COC(=O)NCCC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000107464300 349737832 /nfs/dbraw/zinc/73/78/32/349737832.db2.gz UKFYMUXIPOPDLN-NSHDSACASA-N 1 0 269.345 0.429 10 0 CCAERO Cc1csc(=O)n1CCN1CCO[C@H](C[NH+](C)C)C1 ZINC000105927114 349728864 /nfs/dbraw/zinc/72/88/64/349728864.db2.gz DSEIZRTWKLSAFV-GFCCVEGCSA-N 1 0 285.413 0.481 10 0 CCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N(C)CC2CCOCC2)C1 ZINC000111174076 349766515 /nfs/dbraw/zinc/76/65/15/349766515.db2.gz SYSGDNVTBCGJRU-VXGBXAGGSA-N 1 0 256.346 0.248 10 0 CCAERO C[C@@H]1C[C@@H]1NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000112285673 349779133 /nfs/dbraw/zinc/77/91/33/349779133.db2.gz LIIVXDJLGYDHJR-YPMHNXCESA-N 1 0 274.368 0.972 10 0 CCAERO COCCCS(=O)(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000111330039 349771361 /nfs/dbraw/zinc/77/13/61/349771361.db2.gz MTEKFCCBJIUMRY-UHFFFAOYSA-N 1 0 290.429 0.913 10 0 CCAERO C[NH+]1CCC(CNC(=O)N[C@H]2CCc3ncnn3C2)CC1 ZINC000112749121 349792316 /nfs/dbraw/zinc/79/23/16/349792316.db2.gz DFJKMUQLGSAWRC-LBPRGKRZSA-N 1 0 292.387 0.234 10 0 CCAERO COC(=O)c1cncc(N[C@H]2CC[C@@H](C)[NH2+]C2)n1 ZINC000600955077 362099760 /nfs/dbraw/zinc/09/97/60/362099760.db2.gz JRRBNMCKMWKIQH-BDAKNGLRSA-N 1 0 250.302 0.816 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)c1cnn(C)c1 ZINC000113228637 349805881 /nfs/dbraw/zinc/80/58/81/349805881.db2.gz DLLHGSRIICXQKM-ZYHUDNBSSA-N 1 0 276.340 0.298 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@H](O)COC[C@@H]1CCCO1 ZINC000113310588 349809601 /nfs/dbraw/zinc/80/96/01/349809601.db2.gz AGJPUGBFJPJKRD-WCVJEAGWSA-N 1 0 298.427 0.711 10 0 CCAERO COC(=O)[C@@H]1CC[NH2+][C@@H](CN2CCC(F)(F)C2)C1 ZINC000115751674 349860368 /nfs/dbraw/zinc/86/03/68/349860368.db2.gz KQPGVXNISZNANL-NXEZZACHSA-N 1 0 262.300 0.869 10 0 CCAERO CCOc1ncccc1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116786109 349872436 /nfs/dbraw/zinc/87/24/36/349872436.db2.gz GLCSYFCFXHACTE-GFCCVEGCSA-N 1 0 293.367 0.883 10 0 CCAERO CCC[C@@H](C(=O)N(CC)CC(=O)NCC)[NH+](C)C ZINC000156871097 290706720 /nfs/dbraw/zinc/70/67/20/290706720.db2.gz HEMSYPGKYUOQFW-NSHDSACASA-N 1 0 257.378 0.701 10 0 CCAERO CN(CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)[C@H]1C[NH2+]C[C@@H]1O ZINC000333846143 282344668 /nfs/dbraw/zinc/34/46/68/282344668.db2.gz MIQNHFHSNMFYBP-AJNGGQMLSA-N 1 0 295.427 0.432 10 0 CCAERO CCc1ncc(NC(=O)NC[C@H]2CN(C)CCO2)cn1 ZINC000119023587 349915271 /nfs/dbraw/zinc/91/52/71/349915271.db2.gz HARXRMHUHZPMNB-NSHDSACASA-N 1 0 279.344 0.491 10 0 CCAERO C[C@@H](O)C[N@@H+]1CCN(CCOCC2CC2)C[C@H]1C ZINC000119139746 349920863 /nfs/dbraw/zinc/92/08/63/349920863.db2.gz NVKJTXBUHOZPGO-CHWSQXEVSA-N 1 0 256.390 0.800 10 0 CCAERO C[C@@H](c1cnn(C)c1)[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000305809050 201814760 /nfs/dbraw/zinc/81/47/60/201814760.db2.gz IFFBWZLXQFPTDQ-GXTWGEPZSA-N 1 0 282.388 0.106 10 0 CCAERO O=C([C@@H]1COCCN1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000361729343 232209917 /nfs/dbraw/zinc/20/99/17/232209917.db2.gz RKKPSUZMRRGENA-KGLIPLIRSA-N 1 0 281.400 0.452 10 0 CCAERO CN1CCO[C@H]2CN(C(=O)C[C@@H]3CCC[C@H]3[NH3+])C[C@H]21 ZINC000261803821 290117155 /nfs/dbraw/zinc/11/71/55/290117155.db2.gz MTUHBMORFXFGMF-LOWDOPEQSA-N 1 0 267.373 0.045 10 0 CCAERO C[C@@H]1C[NH2+]CCN1C(=O)c1cnc(-c2ccncc2)nc1 ZINC000097813842 185670189 /nfs/dbraw/zinc/67/01/89/185670189.db2.gz ICHILELPQFLOHU-LLVKDONJSA-N 1 0 283.335 0.973 10 0 CCAERO O=C1CNC(=O)N1CC[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000128362450 187366680 /nfs/dbraw/zinc/36/66/80/187366680.db2.gz VYSJIKHCHLCLPZ-RYUDHWBXSA-N 1 0 291.355 0.508 10 0 CCAERO CN(CCC[NH3+])S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000098139786 185693985 /nfs/dbraw/zinc/69/39/85/185693985.db2.gz IBBJRRLFQJFQNU-UHFFFAOYSA-N 1 0 283.353 0.151 10 0 CCAERO COCCOC1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000120227119 349974787 /nfs/dbraw/zinc/97/47/87/349974787.db2.gz MKXFOOIAAWNTNR-ZDUSSCGKSA-N 1 0 270.373 0.783 10 0 CCAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCC[C@@H]2O)C1 ZINC000092330726 136805906 /nfs/dbraw/zinc/80/59/06/136805906.db2.gz KNXIFCRPIDDLME-RVMXOQNASA-N 1 0 269.389 0.929 10 0 CCAERO COCCCN(CCOC)C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000094647709 136810217 /nfs/dbraw/zinc/81/02/17/136810217.db2.gz OUVFYDMRCPNRIM-QWHCGFSZSA-N 1 0 272.389 0.886 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCOC[C@H]2C[C@H](C)O)C1 ZINC000408262521 137857533 /nfs/dbraw/zinc/85/75/33/137857533.db2.gz KSNRZDQQPKTCTE-MELADBBJSA-N 1 0 299.415 0.652 10 0 CCAERO Cc1cnn(C[C@@H]2CN(C(=O)C3([NH3+])CCCC3)CCO2)c1 ZINC000178781157 136881868 /nfs/dbraw/zinc/88/18/68/136881868.db2.gz NDNNJYNDQWPJFG-ZDUSSCGKSA-N 1 0 292.383 0.690 10 0 CCAERO COC(=O)NCCCC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000185029018 136905690 /nfs/dbraw/zinc/90/56/90/136905690.db2.gz IHTAZXBVZLNZAT-HBNTYKKESA-N 1 0 269.345 0.318 10 0 CCAERO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CC[C@@H](CCO)C1 ZINC000234718044 136963526 /nfs/dbraw/zinc/96/35/26/136963526.db2.gz UQHVEWYEFXRIKI-AVGNSLFASA-N 1 0 261.362 0.103 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@H]1COCCO1 ZINC000252692665 137003649 /nfs/dbraw/zinc/00/36/49/137003649.db2.gz ARTKGPPVUNPSFT-MCIONIFRSA-N 1 0 254.374 0.960 10 0 CCAERO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@H](C)S(C)(=O)=O ZINC000253549577 137005047 /nfs/dbraw/zinc/00/50/47/137005047.db2.gz TVOFHXBGXXUQHC-QJPTWQEYSA-N 1 0 288.413 0.505 10 0 CCAERO CN(CCS(C)(=O)=O)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000261548863 137007650 /nfs/dbraw/zinc/00/76/50/137007650.db2.gz JXAFDGBCORURLY-SNVBAGLBSA-N 1 0 262.375 0.022 10 0 CCAERO C[C@H]1CCN(S(=O)(=O)c2cn(C)cn2)[C@H](C[NH3+])C1 ZINC000261551811 137007757 /nfs/dbraw/zinc/00/77/57/137007757.db2.gz YNKDDHXUIZYWHB-UWVGGRQHSA-N 1 0 272.374 0.168 10 0 CCAERO C[C@H]1CCN(S(=O)(=O)c2cccnc2)[C@H](C[NH3+])C1 ZINC000261551490 137007834 /nfs/dbraw/zinc/00/78/34/137007834.db2.gz WAEUEUSJKCSZQG-QWRGUYRKSA-N 1 0 269.370 0.830 10 0 CCAERO Cn1cc(S(=O)(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cn1 ZINC000261565982 137008811 /nfs/dbraw/zinc/00/88/11/137008811.db2.gz HZGZFBZXVLMPLI-SNVBAGLBSA-N 1 0 272.374 0.168 10 0 CCAERO COC(=O)c1ccc(N2CC[C@H](C)C[C@H]2C[NH3+])nn1 ZINC000261569811 137008887 /nfs/dbraw/zinc/00/88/87/137008887.db2.gz NNJBKTMTYGAYGN-UWVGGRQHSA-N 1 0 264.329 0.827 10 0 CCAERO O=S(=O)(NCc1ccc2c(c1)C[NH2+]C2)[C@@H]1CCCOC1 ZINC000261655803 137014335 /nfs/dbraw/zinc/01/43/35/137014335.db2.gz IFEPHUZGSVXWNA-CQSZACIVSA-N 1 0 296.392 0.888 10 0 CCAERO COc1ccc(CC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1F ZINC000262341998 137039173 /nfs/dbraw/zinc/03/91/73/137039173.db2.gz TVBAKAFPCLVBIH-JQWIXIFHSA-N 1 0 282.315 0.073 10 0 CCAERO Cc1nc(CC(C)C)c(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)s1 ZINC000262354894 137039801 /nfs/dbraw/zinc/03/98/01/137039801.db2.gz UQHMAUZQTWSOMN-ZYHUDNBSSA-N 1 0 297.424 0.960 10 0 CCAERO O=C(C[C@@H]1CCc2ccccc2C1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262359241 137040354 /nfs/dbraw/zinc/04/03/54/137040354.db2.gz VALKXRXSFLXWOT-KCXAZCMYSA-N 1 0 288.391 0.878 10 0 CCAERO O=C(C[C@@H]1CCc2ccccc2C1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262359242 137040474 /nfs/dbraw/zinc/04/04/74/137040474.db2.gz VALKXRXSFLXWOT-UHOFOFEASA-N 1 0 288.391 0.878 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cc(=O)[nH]c2ccccc21 ZINC000262375509 137040624 /nfs/dbraw/zinc/04/06/24/137040624.db2.gz WOGFDXUIHFZQLF-ZANVPECISA-N 1 0 287.319 0.251 10 0 CCAERO COc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)ccc1C ZINC000262376867 137041261 /nfs/dbraw/zinc/04/12/61/137041261.db2.gz WRBZMAJMZYYEBN-RYUDHWBXSA-N 1 0 264.325 0.314 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1Cc2ccccc2S1 ZINC000262386605 137041826 /nfs/dbraw/zinc/04/18/26/137041826.db2.gz XLDOEUCHOUMDDA-GVXVVHGQSA-N 1 0 278.377 0.400 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1Cc2ccccc2S1 ZINC000262386609 137041850 /nfs/dbraw/zinc/04/18/50/137041850.db2.gz XLDOEUCHOUMDDA-LOWVWBTDSA-N 1 0 278.377 0.400 10 0 CCAERO CSc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262417579 137042792 /nfs/dbraw/zinc/04/27/92/137042792.db2.gz ZTOATHYODOCMGU-PWSUYJOCSA-N 1 0 266.366 0.719 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccccc1Br ZINC000262418938 137042793 /nfs/dbraw/zinc/04/27/93/137042793.db2.gz ZVFPVDHXMBOKNH-LDYMZIIASA-N 1 0 299.168 0.759 10 0 CCAERO Cc1ccc2cccc(C(=O)NC[C@@H]3C[NH2+]C[C@H]3O)c2n1 ZINC000262418955 137042920 /nfs/dbraw/zinc/04/29/20/137042920.db2.gz ZVJFHHPTTNKUFG-GXTWGEPZSA-N 1 0 285.347 0.853 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc2ncccc2c1 ZINC000262417650 137042939 /nfs/dbraw/zinc/04/29/39/137042939.db2.gz ZUCPXRDQPOZVJG-OCCSQVGLSA-N 1 0 271.320 0.545 10 0 CCAERO CCC[C@H]([NH3+])C(=O)NC[C@H]1COC2(CCCC2)O1 ZINC000262511855 137045867 /nfs/dbraw/zinc/04/58/67/137045867.db2.gz BLPQKGKMDFRKMO-QWRGUYRKSA-N 1 0 256.346 0.916 10 0 CCAERO C[C@H](C[NH3+])C(=O)NCc1ccccc1OCCO ZINC000262560988 137046913 /nfs/dbraw/zinc/04/69/13/137046913.db2.gz QQMYGBHRHXEKLG-SNVBAGLBSA-N 1 0 252.314 0.269 10 0 CCAERO Cn1ccs/c1=N\C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262790969 137053582 /nfs/dbraw/zinc/05/35/82/137053582.db2.gz OFSKVBQZCYUIBO-ZSNVJIKNSA-N 1 0 291.380 0.949 10 0 CCAERO CN1CC[NH2+]C[C@H]1c1noc(-c2nccn3ccnc23)n1 ZINC000263113648 137058351 /nfs/dbraw/zinc/05/83/51/137058351.db2.gz ALRRZIGDGYPAPX-VIFPVBQESA-N 1 0 285.311 0.355 10 0 CCAERO Cc1cc(Cc2nc([C@H]3C[NH2+]CCN3C)no2)no1 ZINC000263116885 137058668 /nfs/dbraw/zinc/05/86/68/137058668.db2.gz ARWGYESPZSIECY-SNVBAGLBSA-N 1 0 263.301 0.533 10 0 CCAERO O=S(=O)([C@H]1CCCOC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000261772010 137019055 /nfs/dbraw/zinc/01/90/55/137019055.db2.gz ZHYJWHICZKGGHN-NEPJUHHUSA-N 1 0 274.386 0.322 10 0 CCAERO C[C@@H]1CCN(S(=O)(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000261767587 137019178 /nfs/dbraw/zinc/01/91/78/137019178.db2.gz RVGZWHWYOZWTRN-GHMZBOCLSA-N 1 0 275.418 0.632 10 0 CCAERO C[C@H]1CCN(C(=O)CN2CSCC2=O)[C@@H](C[NH3+])C1 ZINC000261778788 137019640 /nfs/dbraw/zinc/01/96/40/137019640.db2.gz KXOFSRIJPGIGAG-VHSXEESVSA-N 1 0 271.386 0.105 10 0 CCAERO C[C@@H]([NH3+])CC(=O)N[C@H]1CCN(C(=O)c2ccccn2)C1 ZINC000261805161 137020957 /nfs/dbraw/zinc/02/09/57/137020957.db2.gz FYKFYDAUYLMYMW-MNOVXSKESA-N 1 0 276.340 0.150 10 0 CCAERO COC[C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000261809579 137021252 /nfs/dbraw/zinc/02/12/52/137021252.db2.gz OQSFXMGRRCAZCZ-TUAOUCFPSA-N 1 0 256.346 0.378 10 0 CCAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@@H]2CCC[C@H]2O)cn1 ZINC000261871846 137023342 /nfs/dbraw/zinc/02/33/42/137023342.db2.gz DGBOGUWDWDWPIJ-AHLTXXRQSA-N 1 0 292.383 0.000 10 0 CCAERO COCCC(=O)N1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261875321 137023610 /nfs/dbraw/zinc/02/36/10/137023610.db2.gz PVBKRQWAMZFGKF-AWEZNQCLSA-N 1 0 269.389 0.167 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cncn1-c1ccccc1 ZINC000261897557 137024763 /nfs/dbraw/zinc/02/47/63/137024763.db2.gz ACMMEAPJRPLFAI-RISCZKNCSA-N 1 0 286.335 0.182 10 0 CCAERO COC(=O)c1cccc(CCNC(=O)C2C[NH2+]C2)c1 ZINC000262162563 137028688 /nfs/dbraw/zinc/02/86/88/137028688.db2.gz BFSIAPPVFFUBMX-UHFFFAOYSA-N 1 0 262.309 0.351 10 0 CCAERO C[C@H]1CN(S(=O)(=O)c2cccc3nsnc32)C[C@H]1[NH3+] ZINC000262157312 137028801 /nfs/dbraw/zinc/02/88/01/137028801.db2.gz ZMCJWPAGXQKCFE-JGVFFNPUSA-N 1 0 298.393 0.659 10 0 CCAERO O=C(Cc1cccc(Cl)c1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262209288 137031043 /nfs/dbraw/zinc/03/10/43/137031043.db2.gz ITFFCPPXFPMASC-PWSUYJOCSA-N 1 0 268.744 0.579 10 0 CCAERO CSc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)o1 ZINC000262218836 137031402 /nfs/dbraw/zinc/03/14/02/137031402.db2.gz JJIVZNABSQAAAO-JGVFFNPUSA-N 1 0 256.327 0.312 10 0 CCAERO CC(C)Cc1nc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cs1 ZINC000262252144 137033076 /nfs/dbraw/zinc/03/30/76/137033076.db2.gz LRBQRLKYXCZHOY-GXSJLCMTSA-N 1 0 283.397 0.652 10 0 CCAERO Cc1ccc(C)c(OCC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262251996 137033402 /nfs/dbraw/zinc/03/34/02/137033402.db2.gz LPISFINLPFVQHY-STQMWFEESA-N 1 0 278.352 0.379 10 0 CCAERO CCO[C@H](C)c1ncc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)s1 ZINC000262278667 137034864 /nfs/dbraw/zinc/03/48/64/137034864.db2.gz NQDIGRGGWBOEKH-BBBLOLIVSA-N 1 0 299.396 0.551 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)C1(c2ccccc2)CCC1 ZINC000262286564 137035116 /nfs/dbraw/zinc/03/51/16/137035116.db2.gz OGXOVLQWTUSLPS-TZMCWYRMSA-N 1 0 274.364 0.805 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(Br)cc1 ZINC000262307876 137036814 /nfs/dbraw/zinc/03/68/14/137036814.db2.gz QELIRGJIHFVZPG-ONGXEEELSA-N 1 0 299.168 0.759 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1sccc1C1CC1 ZINC000262317855 137037715 /nfs/dbraw/zinc/03/77/15/137037715.db2.gz RADXVZFPLPIZIN-MWLCHTKSSA-N 1 0 266.366 0.936 10 0 CCAERO O=C(C[C@@H]1COCC[NH2+]1)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000262323905 137038291 /nfs/dbraw/zinc/03/82/91/137038291.db2.gz DBFVRTVLHLUOEP-MGPQQGTHSA-N 1 0 292.383 0.862 10 0 CCAERO Cc1cc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c2ccccc2n1 ZINC000262338988 137038840 /nfs/dbraw/zinc/03/88/40/137038840.db2.gz SXPCEPUIJFAPCY-IAQYHMDHSA-N 1 0 285.347 0.853 10 0 CCAERO COc1ccc(-c2nc([C@H]3C[NH2+]CCN3C)no2)cn1 ZINC000263235345 137061497 /nfs/dbraw/zinc/06/14/97/137061497.db2.gz NYWRPMUJMZGBFW-SNVBAGLBSA-N 1 0 275.312 0.716 10 0 CCAERO CC(C)CC(=O)N1CCC(NC(=O)C2C[NH2+]C2)CC1 ZINC000263246579 137061710 /nfs/dbraw/zinc/06/17/10/137061710.db2.gz DEFMFDNYAIGBBS-UHFFFAOYSA-N 1 0 267.373 0.359 10 0 CCAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1ccnn1-c1ccc(F)cc1 ZINC000263292610 137062888 /nfs/dbraw/zinc/06/28/88/137062888.db2.gz VVNJHIUBSBOXMM-NHYWBVRUSA-N 1 0 290.342 0.681 10 0 CCAERO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@H](O)C(F)(F)F ZINC000263296601 137063513 /nfs/dbraw/zinc/06/35/13/137063513.db2.gz WKFLCSNCLSALTK-WEDXCCLWSA-N 1 0 268.279 0.933 10 0 CCAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1cc(Cl)c2c(c1)OCCO2 ZINC000263317277 137063803 /nfs/dbraw/zinc/06/38/03/137063803.db2.gz ZRKBYPRNVBTTTB-CMPLNLGQSA-N 1 0 298.770 0.781 10 0 CCAERO Cn1c(CNC[C@@H]2C[NH2+]C[C@@H]2O)nc2ccc(Cl)cc21 ZINC000263308165 137063815 /nfs/dbraw/zinc/06/38/15/137063815.db2.gz YEVLCIHUGAZSOD-ZANVPECISA-N 1 0 294.786 0.897 10 0 CCAERO O=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000263326902 137064068 /nfs/dbraw/zinc/06/40/68/137064068.db2.gz SXULMLWTAZRWOQ-ZDUSSCGKSA-N 1 0 287.363 0.371 10 0 CCAERO O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000263326901 137064298 /nfs/dbraw/zinc/06/42/98/137064298.db2.gz SXULMLWTAZRWOQ-CYBMUJFWSA-N 1 0 287.363 0.371 10 0 CCAERO CN(C)C(=O)c1cccc(CCNC(=O)C2C[NH2+]C2)c1 ZINC000263344297 137064451 /nfs/dbraw/zinc/06/44/51/137064451.db2.gz YQRFHLVLOALOKE-UHFFFAOYSA-N 1 0 275.352 0.267 10 0 CCAERO CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C1C[NH2+]C1 ZINC000263346751 137064519 /nfs/dbraw/zinc/06/45/19/137064519.db2.gz ZGMVEXIZELANCC-ZDUSSCGKSA-N 1 0 275.352 0.022 10 0 CCAERO C[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)C(=O)NC(=O)NC1CC1 ZINC000332985264 137082535 /nfs/dbraw/zinc/08/25/35/137082535.db2.gz CADLHINXKBPOSN-UWJYBYFXSA-N 1 0 281.356 0.520 10 0 CCAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1nccn1Cc1ccccc1 ZINC000263199712 137059897 /nfs/dbraw/zinc/05/98/97/137059897.db2.gz IVKOSNQYUQHGQB-CABCVRRESA-N 1 0 286.379 0.601 10 0 CCAERO O[C@H]1C[NH2+]C[C@H]1CNCc1cn2cc(Cl)ccc2n1 ZINC000263201394 137059978 /nfs/dbraw/zinc/05/99/78/137059978.db2.gz JBORQYWVGAXWFV-SKDRFNHKSA-N 1 0 280.759 0.658 10 0 CCAERO CO[C@@H]1C[C@H](CO)[N@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000343969562 137171095 /nfs/dbraw/zinc/17/10/95/137171095.db2.gz DTTLKKKZDFVLNT-CHWSQXEVSA-N 1 0 264.325 0.367 10 0 CCAERO CC[NH+](CC)CCN(C)C(=O)N1CCN(C)CC1 ZINC000003599668 347985458 /nfs/dbraw/zinc/98/54/58/347985458.db2.gz HOKNYJLFVBZSSP-UHFFFAOYSA-N 1 0 256.394 0.627 10 0 CCAERO C[C@H]([NH2+][C@H]1CCS(=O)(=O)C1)C(=O)N1CCCCCC1 ZINC000034937545 348152718 /nfs/dbraw/zinc/15/27/18/348152718.db2.gz LAFYTHXXIUBVNW-RYUDHWBXSA-N 1 0 288.413 0.554 10 0 CCAERO CCOC(=O)c1cccnc1NCCCN1CC[NH2+]CC1 ZINC000035307845 348159272 /nfs/dbraw/zinc/15/92/72/348159272.db2.gz SUSVYFPBDZRDSP-UHFFFAOYSA-N 1 0 292.383 0.966 10 0 CCAERO O=C(NC1CC1)c1ccc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000037018986 348179731 /nfs/dbraw/zinc/17/97/31/348179731.db2.gz JREMXEIIWVOQIP-OLZOCXBDSA-N 1 0 289.335 0.240 10 0 CCAERO C[S@](=O)c1cc(C(N)=O)ccc1C1CC[NH2+]CC1 ZINC000038285445 348227267 /nfs/dbraw/zinc/22/72/67/348227267.db2.gz VQIGSGGKMFNNTK-GOSISDBHSA-N 1 0 266.366 0.990 10 0 CCAERO COc1ccc(CNC(=O)[C@H]2C[C@@H](OC)C[NH2+]2)cc1 ZINC000040630155 348239645 /nfs/dbraw/zinc/23/96/45/348239645.db2.gz HHYGFFPMSUAZCM-CHWSQXEVSA-N 1 0 264.325 0.688 10 0 CCAERO OC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc2c(c1)OCCO2 ZINC000273366297 192127820 /nfs/dbraw/zinc/12/78/20/192127820.db2.gz DLIMIFKQMDPJPZ-NEPJUHHUSA-N 1 0 265.309 0.385 10 0 CCAERO O=C(c1ccc2n[nH]nc2c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000049515941 348455357 /nfs/dbraw/zinc/45/53/57/348455357.db2.gz MLBRXPRFWCZQLB-LLVKDONJSA-N 1 0 271.324 0.878 10 0 CCAERO C[NH2+][C@H](C)C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000054076192 348541457 /nfs/dbraw/zinc/54/14/57/348541457.db2.gz HYMBXLNOFBVKHG-SECBINFHSA-N 1 0 282.340 0.937 10 0 CCAERO CCCCN(CC(N)=O)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054292034 348548108 /nfs/dbraw/zinc/54/81/08/348548108.db2.gz VNDGPJKLUXQKFM-NSHDSACASA-N 1 0 255.362 0.490 10 0 CCAERO NS(=O)(=O)c1ccc(NC(=O)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000054290000 348548126 /nfs/dbraw/zinc/54/81/26/348548126.db2.gz JQHQVDNQBRJXCF-JTQLQIEISA-N 1 0 297.380 0.662 10 0 CCAERO C[NH2+][C@H](C)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000052395896 348509580 /nfs/dbraw/zinc/50/95/80/348509580.db2.gz ZTFXHAQXXBHLEL-MNOVXSKESA-N 1 0 264.325 0.893 10 0 CCAERO CCOC(=O)N1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000054308332 348549749 /nfs/dbraw/zinc/54/97/49/348549749.db2.gz UZOUNJKUHNSVKX-LBPRGKRZSA-N 1 0 283.372 0.677 10 0 CCAERO CCNC(=O)C[N@H+](CC)C[C@@H](O)COC(C)(C)C ZINC000053400112 348528548 /nfs/dbraw/zinc/52/85/48/348528548.db2.gz BZRDSFMUQDLVKA-LLVKDONJSA-N 1 0 260.378 0.620 10 0 CCAERO CC[NH2+][C@@H]1CCC2(C[C@@H]1S(C)(=O)=O)OCCO2 ZINC000054930436 348565918 /nfs/dbraw/zinc/56/59/18/348565918.db2.gz XLBYANCTYGFIPH-ZJUUUORDSA-N 1 0 263.359 0.305 10 0 CCAERO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2cccc(N)c2)C1 ZINC000062965205 348673627 /nfs/dbraw/zinc/67/36/27/348673627.db2.gz VMZLVNOVOZNZMI-LLVKDONJSA-N 1 0 269.370 0.593 10 0 CCAERO O=C1C[C@@H](N2CC[NH2+]CC2)C(=O)N1c1c(F)cccc1F ZINC000064875696 348704903 /nfs/dbraw/zinc/70/49/03/348704903.db2.gz SUFGAMPOMUYDED-LLVKDONJSA-N 1 0 295.289 0.502 10 0 CCAERO NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000070573682 348892816 /nfs/dbraw/zinc/89/28/16/348892816.db2.gz XMJGYXHEFGNVQA-UWVGGRQHSA-N 1 0 297.380 0.790 10 0 CCAERO CC(C)C[C@H](C[NH+](C)C)NS(=O)(=O)c1c[nH]cn1 ZINC000070417783 348888049 /nfs/dbraw/zinc/88/80/49/348888049.db2.gz WLGNXCHOWCOFMJ-SNVBAGLBSA-N 1 0 274.390 0.664 10 0 CCAERO C[C@@H](O)[C@@H]([NH3+])CNc1ncc(Br)cn1 ZINC000070826275 348897880 /nfs/dbraw/zinc/89/78/80/348897880.db2.gz PEMYSAXXVIMXID-VDTYLAMSSA-N 1 0 261.123 0.359 10 0 CCAERO CCNC(=O)CN1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000071997624 348914732 /nfs/dbraw/zinc/91/47/32/348914732.db2.gz ICNQMCZRFANRGK-LBPRGKRZSA-N 1 0 269.389 0.308 10 0 CCAERO CC(C)[C@H](CNC(=O)N[C@H]1C[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000076055792 349066119 /nfs/dbraw/zinc/06/61/19/349066119.db2.gz RWZSNYDHLGMDFH-IHRRRGAJSA-N 1 0 282.432 0.966 10 0 CCAERO C[NH+](C)[C@H]1CCN(C(=O)CNCC(F)(F)F)C1 ZINC000078596478 349145173 /nfs/dbraw/zinc/14/51/73/349145173.db2.gz HNQPILCLFXKSFG-QMMMGPOBSA-N 1 0 253.268 0.301 10 0 CCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCC(C)(C)C(N)=O ZINC000079495223 349180013 /nfs/dbraw/zinc/18/00/13/349180013.db2.gz WOUQPCACNHRTFK-LLVKDONJSA-N 1 0 286.420 0.773 10 0 CCAERO C[C@@]1(C(=O)NCc2cccc(S(N)(=O)=O)c2)CCC[NH2+]1 ZINC000079515903 349181340 /nfs/dbraw/zinc/18/13/40/349181340.db2.gz ULOCOVRCQHXBFR-ZDUSSCGKSA-N 1 0 297.380 0.092 10 0 CCAERO CCC[NH+]1CCC(NC(=O)N2CCO[C@H](CO)C2)CC1 ZINC000079005344 349163427 /nfs/dbraw/zinc/16/34/27/349163427.db2.gz BGEAVNYACRICIT-ZDUSSCGKSA-N 1 0 285.388 0.264 10 0 CCAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2nc(C(C)=O)cs2)C1 ZINC000080873025 349231272 /nfs/dbraw/zinc/23/12/72/349231272.db2.gz WBVVOHMDRIPGLB-HTQZYQBOSA-N 1 0 269.326 0.661 10 0 CCAERO CC(C)Oc1cncc(N2CCN(C)C[C@@H]2C[NH3+])n1 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Cc1cc(N2CCC[C@@H]([NH2+][C@H]3CCOC3)C2=O)n(C)n1 ZINC000182338295 351358411 /nfs/dbraw/zinc/35/84/11/351358411.db2.gz SZGWSQJRQNOJJB-NWDGAFQWSA-N 1 0 278.356 0.602 10 0 CCAERO CCOCC[N@@H+]1CCN(Cc2noc(COC)n2)C[C@@H]1C ZINC000182441426 351362112 /nfs/dbraw/zinc/36/21/12/351362112.db2.gz BQHILOPKYYLAHA-LBPRGKRZSA-N 1 0 298.387 0.759 10 0 CCAERO Cc1cnn(CCCCC[N@@H+]2C[C@@H](O)C[C@@H]2CO)c1 ZINC000185153272 351435980 /nfs/dbraw/zinc/43/59/80/351435980.db2.gz HMURHFPIIOFYTA-KGLIPLIRSA-N 1 0 267.373 0.789 10 0 CCAERO COCCCCS(=O)(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000184743866 351422691 /nfs/dbraw/zinc/42/26/91/351422691.db2.gz FXIRHLLTKWJGBD-GFCCVEGCSA-N 1 0 294.417 0.005 10 0 CCAERO Cn1c(C[NH2+][C@H]2CCCC[C@H]2C(N)=O)nnc1C1CC1 ZINC000184809312 351423757 /nfs/dbraw/zinc/42/37/57/351423757.db2.gz WORDSDHVOPKJGS-MNOVXSKESA-N 1 0 277.372 0.826 10 0 CCAERO COCCC(C)(C)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000184898012 351425709 /nfs/dbraw/zinc/42/57/09/351425709.db2.gz OWERAIYAAQNJSL-GFCCVEGCSA-N 1 0 272.389 0.838 10 0 CCAERO O=C(CN1CCCC1=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186489687 351498482 /nfs/dbraw/zinc/49/84/82/351498482.db2.gz VPHQZUOUTAXTJZ-LLVKDONJSA-N 1 0 265.357 0.352 10 0 CCAERO CCCC(=O)NCC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186556373 351503827 /nfs/dbraw/zinc/50/38/27/351503827.db2.gz FGEDWODIUJFLSQ-LLVKDONJSA-N 1 0 267.373 0.646 10 0 CCAERO CCS(=O)(=O)NCCCN1CCC[C@]1(C)C(=O)OC ZINC000186347842 351491122 /nfs/dbraw/zinc/49/11/22/351491122.db2.gz BLIWYZVTKJVQDD-GFCCVEGCSA-N 1 0 292.401 0.343 10 0 CCAERO Cc1nccnc1[C@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000188176574 351577731 /nfs/dbraw/zinc/57/77/31/351577731.db2.gz AZLUQJGVMCSCJW-RYUDHWBXSA-N 1 0 250.346 0.766 10 0 CCAERO C[NH+](C)C[C@H]1CN(C(=O)c2cn3ccnc3s2)CCO1 ZINC000188514300 351603501 /nfs/dbraw/zinc/60/35/01/351603501.db2.gz GAUVGGVWFIPQSG-JTQLQIEISA-N 1 0 294.380 0.798 10 0 CCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2CCCC[C@H]2O)C1 ZINC000187839003 351558899 /nfs/dbraw/zinc/55/88/99/351558899.db2.gz CCXQMFZEQHFKDO-NNYUYHANSA-N 1 0 256.346 0.031 10 0 CCAERO CCN(C)C(=O)[C@H](C)NC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000187895008 351561681 /nfs/dbraw/zinc/56/16/81/351561681.db2.gz JIBBEKBFTGCXFI-STQMWFEESA-N 1 0 298.431 0.979 10 0 CCAERO O=C(NCc1ccc2c(c1)C[NH2+]C2)c1cc[nH]c(=O)c1 ZINC000188670856 351616332 /nfs/dbraw/zinc/61/63/32/351616332.db2.gz CGCODARZFWBICD-UHFFFAOYSA-N 1 0 269.304 0.908 10 0 CCAERO C[C@@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)c1ccccn1 ZINC000188692150 351618906 /nfs/dbraw/zinc/61/89/06/351618906.db2.gz OEKNRGZYPVQPHG-SECBINFHSA-N 1 0 271.324 0.941 10 0 CCAERO O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCN(CC2CC2)CC1 ZINC000188729762 351621719 /nfs/dbraw/zinc/62/17/19/351621719.db2.gz CMBPQYMDBMQDRK-NWDGAFQWSA-N 1 0 255.337 0.241 10 0 CCAERO CC[NH+](CC)CCN1CCC[C@@H](O)[C@@H]1C(=O)OC ZINC000189561800 351688467 /nfs/dbraw/zinc/68/84/67/351688467.db2.gz AORIURMCCHILNZ-VXGBXAGGSA-N 1 0 258.362 0.327 10 0 CCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)NCC(=O)OCc2ccccc2)C1 ZINC000191874142 351776133 /nfs/dbraw/zinc/77/61/33/351776133.db2.gz PVACYZGIMSUERY-QWHCGFSZSA-N 1 0 292.335 0.223 10 0 CCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H](O)c2cccc(F)c2)C1 ZINC000191909610 351777972 /nfs/dbraw/zinc/77/79/72/351777972.db2.gz QFMQFBSODFERBO-YNEHKIRRSA-N 1 0 282.315 0.352 10 0 CCAERO C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCOCC1 ZINC000192634661 351792176 /nfs/dbraw/zinc/79/21/76/351792176.db2.gz FEOIOZBQCBBAOV-FFHGMXDLSA-N 1 0 267.417 0.922 10 0 CCAERO CCCNC(=O)C1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000192838480 351800775 /nfs/dbraw/zinc/80/07/75/351800775.db2.gz XJLPFWQTMKOPGB-CYBMUJFWSA-N 1 0 281.400 0.893 10 0 CCAERO CC(=O)N[C@H]1CCC[N@@H+](CCN2CCO[C@H](C)C2)C1 ZINC000191450906 351759097 /nfs/dbraw/zinc/75/90/97/351759097.db2.gz LNTXDYMQQYVOIZ-OCCSQVGLSA-N 1 0 269.389 0.308 10 0 CCAERO CCC[N@H+](CC)CCNC(=O)N1CCCNC(=O)[C@@H]1C ZINC000191454884 351759193 /nfs/dbraw/zinc/75/91/93/351759193.db2.gz IALWWMBLKQCRCZ-LBPRGKRZSA-N 1 0 284.404 0.638 10 0 CCAERO CCn1ncnc1CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000193339201 351824066 /nfs/dbraw/zinc/82/40/66/351824066.db2.gz MAXSWOCFQFZMAK-NSHDSACASA-N 1 0 253.350 0.060 10 0 CCAERO C[C@H](C(=O)N1CCC([NH+]2CCCC2)CC1)n1cncn1 ZINC000193521693 351831041 /nfs/dbraw/zinc/83/10/41/351831041.db2.gz MZKGUCQYVYTYPT-GFCCVEGCSA-N 1 0 277.372 0.926 10 0 CCAERO C[C@H](C(=O)N1CCCCC1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193620642 351836078 /nfs/dbraw/zinc/83/60/78/351836078.db2.gz RDAJBNPXNPLOEC-MCIONIFRSA-N 1 0 265.401 0.881 10 0 CCAERO Cc1nc(C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)no1 ZINC000123521172 187096322 /nfs/dbraw/zinc/09/63/22/187096322.db2.gz HEQMEYUDMOJTTH-LLVKDONJSA-N 1 0 282.344 0.201 10 0 CCAERO CCOC(=O)NCCC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195071839 351895889 /nfs/dbraw/zinc/89/58/89/351895889.db2.gz ZAGVWJRWZPTYNT-LBPRGKRZSA-N 1 0 283.372 0.819 10 0 CCAERO CCOC(=O)NCCC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195330761 351909803 /nfs/dbraw/zinc/90/98/03/351909803.db2.gz MMLFSWOUHWXYSR-NSHDSACASA-N 1 0 269.345 0.429 10 0 CCAERO O=C(CNC(=O)c1ccccc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195319808 351910360 /nfs/dbraw/zinc/91/03/60/351910360.db2.gz WTZZUOCMEFJYTA-AWEZNQCLSA-N 1 0 287.363 0.723 10 0 CCAERO CCn1cc(C2CC[NH+]([C@H](C)C(N)=O)CC2)cn1 ZINC000195500268 351915187 /nfs/dbraw/zinc/91/51/87/351915187.db2.gz IXOFURVRBNLOHX-SNVBAGLBSA-N 1 0 250.346 0.956 10 0 CCAERO O[C@@H](Cn1cccn1)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195513327 351916085 /nfs/dbraw/zinc/91/60/85/351916085.db2.gz FKWZHLVODRNJOZ-CYBMUJFWSA-N 1 0 275.356 0.847 10 0 CCAERO CC(C)N1CCCN(C2CC[NH2+]CC2)S1(=O)=O ZINC000218100893 351955393 /nfs/dbraw/zinc/95/53/93/351955393.db2.gz VVBIGBONRLIUBW-UHFFFAOYSA-N 1 0 261.391 0.399 10 0 CCAERO O=c1cc(C[N@H+]2CC[C@@H](CCO)C2)nc2ccccn12 ZINC000227574319 352054868 /nfs/dbraw/zinc/05/48/68/352054868.db2.gz GKDFPSQRUGQSPQ-LBPRGKRZSA-N 1 0 273.336 0.899 10 0 CCAERO [NH3+]C1CN(C(=O)c2ncccc2Br)C1 ZINC000231768769 352133983 /nfs/dbraw/zinc/13/39/83/352133983.db2.gz FZKFSWLOGHEOQE-UHFFFAOYSA-N 1 0 256.103 0.627 10 0 CCAERO CCCCOC[C@H](O)C[NH2+]CC(C)(C)C(=O)NC ZINC000230395567 352115681 /nfs/dbraw/zinc/11/56/81/352115681.db2.gz MCYNHBKRMVQZLQ-LLVKDONJSA-N 1 0 260.378 0.526 10 0 CCAERO C[C@H](O)CNc1nc[nH+]c(NN)c1Br ZINC000235525520 352185095 /nfs/dbraw/zinc/18/50/95/352185095.db2.gz DIIRMCICPUACOA-BYPYZUCNSA-N 1 0 262.111 0.317 10 0 CCAERO C[C@H](O)C1CCN(C(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000235532431 352185223 /nfs/dbraw/zinc/18/52/23/352185223.db2.gz IBQWHQRBFARFHL-NWDGAFQWSA-N 1 0 254.374 0.996 10 0 CCAERO C[C@]([NH3+])(C(N)=O)c1ccc(I)cc1 ZINC000235720037 352187998 /nfs/dbraw/zinc/18/79/98/352187998.db2.gz GFWNCCNYFRPWQY-SECBINFHSA-N 1 0 290.104 0.950 10 0 CCAERO Cc1cnn(CCNC(=O)C[C@@H]2CSCC[NH2+]2)c1 ZINC000235937321 352190130 /nfs/dbraw/zinc/19/01/30/352190130.db2.gz KRLMJVCSRFYVTK-LLVKDONJSA-N 1 0 268.386 0.403 10 0 CCAERO Cc1cc(C)n(C2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC000603878703 363164567 /nfs/dbraw/zinc/16/45/67/363164567.db2.gz BBDRRROZLNWHCK-CYBMUJFWSA-N 1 0 262.357 0.977 10 0 CCAERO COC(=O)[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2CN(C)CCO2)C1 ZINC000245417874 352321644 /nfs/dbraw/zinc/32/16/44/352321644.db2.gz AJIIWSXRGQWAKH-JHJVBQTASA-N 1 0 298.383 0.413 10 0 CCAERO CC[C@@H](C(N)=O)[N@@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000245431104 352323023 /nfs/dbraw/zinc/32/30/23/352323023.db2.gz NXCKILWJQAKNQI-KGLIPLIRSA-N 1 0 282.432 0.352 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NC(=O)NC ZINC000245439064 352323134 /nfs/dbraw/zinc/32/31/34/352323134.db2.gz SNNWHKJVKWDWFM-MNOVXSKESA-N 1 0 268.361 0.001 10 0 CCAERO Cc1n[nH]c(C)c1CC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000245640574 352331903 /nfs/dbraw/zinc/33/19/03/352331903.db2.gz DHUKZRAHKHRRLI-QWRGUYRKSA-N 1 0 294.399 0.483 10 0 CCAERO O=C1NCCCC[C@@H]1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000245646868 352332470 /nfs/dbraw/zinc/33/24/70/352332470.db2.gz UFVPZJMKTBHXMK-OLZOCXBDSA-N 1 0 251.374 0.825 10 0 CCAERO O[C@@H](COC1CCOCC1)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000245852137 352339451 /nfs/dbraw/zinc/33/94/51/352339451.db2.gz CJFAXHKGRJJOMN-UONOGXRCSA-N 1 0 284.400 0.323 10 0 CCAERO C[C@H](c1cnn(C)c1)[N@H+](C)C[C@@H](O)CN1CCCC1=O ZINC000246052187 352345776 /nfs/dbraw/zinc/34/57/76/352345776.db2.gz ALTOZZMDFSKKQU-DGCLKSJQSA-N 1 0 280.372 0.396 10 0 CCAERO COCC[N@@H+]1CCN([C@H](C)CN2CCOCC2)C[C@H]1C ZINC000246147750 352350207 /nfs/dbraw/zinc/35/02/07/352350207.db2.gz SPROGRPFVNCDLW-HUUCEWRRSA-N 1 0 285.432 0.360 10 0 CCAERO COC(=O)C[C@@H](C)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246152116 352350815 /nfs/dbraw/zinc/35/08/15/352350815.db2.gz ZWKVEFDTNXHOKP-MNOVXSKESA-N 1 0 254.330 0.492 10 0 CCAERO O=C([C@@H]1CNC(=O)C1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246316097 352360696 /nfs/dbraw/zinc/36/06/96/352360696.db2.gz KCUJNVKSBOOJHQ-OBJOEFQTSA-N 1 0 291.395 0.598 10 0 CCAERO CN1CCN(S(=O)(=O)C[C@H]2CCOC2)c2c[nH+]ccc21 ZINC000246364116 352362508 /nfs/dbraw/zinc/36/25/08/352362508.db2.gz HHERXDAZYTXNAZ-NSHDSACASA-N 1 0 297.380 0.704 10 0 CCAERO CCNC(=O)CC[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246368061 352363072 /nfs/dbraw/zinc/36/30/72/352363072.db2.gz HHFDYQLWKGTURU-STQMWFEESA-N 1 0 269.389 0.165 10 0 CCAERO COC(=O)CNC(=O)CC[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246421851 352366252 /nfs/dbraw/zinc/36/62/52/352366252.db2.gz AOSRMFXJBQGEDA-RYUDHWBXSA-N 1 0 284.356 0.167 10 0 CCAERO C[C@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)[C@H]1CCCO1 ZINC000246490595 352369673 /nfs/dbraw/zinc/36/96/73/352369673.db2.gz GRDWGSQFYLZMFC-DMDPSCGWSA-N 1 0 273.377 0.166 10 0 CCAERO CNC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)COC(C)(C)C ZINC000246518210 352371816 /nfs/dbraw/zinc/37/18/16/352371816.db2.gz VINFMJKUWLDYCT-NEPJUHHUSA-N 1 0 272.389 0.763 10 0 CCAERO CC(C)S(=O)(=O)CCCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000246537522 352372413 /nfs/dbraw/zinc/37/24/13/352372413.db2.gz JPBDJQAAXQLPJB-ZDUSSCGKSA-N 1 0 274.430 0.980 10 0 CCAERO CCCN(C)S(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000246958792 352390869 /nfs/dbraw/zinc/39/08/69/352390869.db2.gz ILEDAONSCWDBKL-GFCCVEGCSA-N 1 0 277.434 0.989 10 0 CCAERO 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c1nnc([C@@H]2CCC[N@@H+](CCN3C[C@H]4CC[C@@H](C3)O4)C2)[nH]1 ZINC000329221925 202241198 /nfs/dbraw/zinc/24/11/98/202241198.db2.gz VMSURBVLWRQLFB-MCIONIFRSA-N 1 0 291.399 0.847 10 0 CCAERO C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000336196658 213017146 /nfs/dbraw/zinc/01/71/46/213017146.db2.gz KBJRZWAWXQFTGC-QWRGUYRKSA-N 1 0 253.346 0.065 10 0 CCAERO CNC(=O)NC1CN(C(=O)N[C@H](C)C[NH+]2CCCCC2)C1 ZINC000407989066 283367456 /nfs/dbraw/zinc/36/74/56/283367456.db2.gz WKZDGNWLOZDMJH-LLVKDONJSA-N 1 0 297.403 0.184 10 0 CCAERO COC(=O)c1ccc(NC(=O)[C@H]2C[NH2+]CCOC2)cc1 ZINC000591590487 359603759 /nfs/dbraw/zinc/60/37/59/359603759.db2.gz VITVFRBXEDJHGM-NSHDSACASA-N 1 0 278.308 0.648 10 0 CCAERO CCOC(=O)CNC(=O)C1(CCOC)CC[NH2+]CC1 ZINC000591592741 359604294 /nfs/dbraw/zinc/60/42/94/359604294.db2.gz DMPQVHLZJHEQFJ-UHFFFAOYSA-N 1 0 272.345 0.072 10 0 CCAERO COc1cncnc1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000297347597 200156794 /nfs/dbraw/zinc/15/67/94/200156794.db2.gz FPEUZZOBCWEJHH-JTQLQIEISA-N 1 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/nfs/dbraw/zinc/20/83/75/360208375.db2.gz XTJVILHDPQXFMZ-BXUZGUMPSA-N 1 0 284.356 0.167 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(=O)n(C)c1 ZINC000177011875 189020618 /nfs/dbraw/zinc/02/06/18/189020618.db2.gz PIWGEPPEPTWADX-CYBMUJFWSA-N 1 0 277.368 0.942 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc(C)on1 ZINC000177040675 189023535 /nfs/dbraw/zinc/02/35/35/189023535.db2.gz HVDKPHFTXTWKDQ-NSHDSACASA-N 1 0 294.355 0.864 10 0 CCAERO CC[C@@H](C(N)=O)[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178303839 189104362 /nfs/dbraw/zinc/10/43/62/189104362.db2.gz GKEBBOMXHZUSJO-NEPJUHHUSA-N 1 0 250.346 0.920 10 0 CCAERO COC(=O)CCCN(C)C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000595971674 360745278 /nfs/dbraw/zinc/74/52/78/360745278.db2.gz QBTZJDVXPWQDKN-QWRGUYRKSA-N 1 0 256.346 0.786 10 0 CCAERO COc1ccc(CC[N@@H+]2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000179172128 189174720 /nfs/dbraw/zinc/17/47/20/189174720.db2.gz PUPDNNLDDJMECY-OLZOCXBDSA-N 1 0 251.326 0.665 10 0 CCAERO Cc1c(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cnn1C ZINC000179336051 189186921 /nfs/dbraw/zinc/18/69/21/189186921.db2.gz KGWBDDNJYBQRQV-CYBMUJFWSA-N 1 0 277.372 0.718 10 0 CCAERO CCC[C@@](C)([NH3+])C(=O)NCCCNC(=O)C(C)C ZINC000262594031 283691059 /nfs/dbraw/zinc/69/10/59/283691059.db2.gz VWUDBPUHGYSNBT-CYBMUJFWSA-N 1 0 257.378 0.782 10 0 CCAERO CC(C)Oc1nccnc1N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000302171435 201378337 /nfs/dbraw/zinc/37/83/37/201378337.db2.gz UKGNSMPCBJTFHN-NWDGAFQWSA-N 1 0 278.356 0.783 10 0 CCAERO C[C@H](C(=O)NCC(F)(F)F)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631837312 370702150 /nfs/dbraw/zinc/70/21/50/370702150.db2.gz AJNQIFBSCJHRGC-HLTSFMKQSA-N 1 0 267.295 0.580 10 0 CCAERO C[C@@H]1CN(S(=O)(=O)c2ccsc2)C[C@@H]1C[NH3+] ZINC000631965842 370793180 /nfs/dbraw/zinc/79/31/80/370793180.db2.gz ISABXOXHPBONPU-BDAKNGLRSA-N 1 0 260.384 0.963 10 0 CCAERO C[C@H]1CN(S(=O)(=O)c2cncc(F)c2)C[C@H]1C[NH3+] ZINC000631967752 370796602 /nfs/dbraw/zinc/79/66/02/370796602.db2.gz MLRYCZSDYZGSHT-DTWKUNHWSA-N 1 0 273.333 0.436 10 0 CCAERO C[NH+](C)[C@H]1CCN(C(=O)c2c[nH]nc2[C@H]2CCOC2)C1 ZINC000275618348 193087754 /nfs/dbraw/zinc/08/77/54/193087754.db2.gz VSMBKUQPTZBNKR-QWRGUYRKSA-N 1 0 278.356 0.690 10 0 CCAERO [NH3+]CCN1CCC[C@H]1S(=O)(=O)c1ccccc1 ZINC000616608189 365383542 /nfs/dbraw/zinc/38/35/42/365383542.db2.gz NHQDYRGNGFIVOE-GFCCVEGCSA-N 1 0 254.355 0.841 10 0 CCAERO NC(=O)c1cccc([C@@H]2CC[N@H+](CCO)CCO2)c1 ZINC000616665227 365417251 /nfs/dbraw/zinc/41/72/51/365417251.db2.gz BUYLKJCZLZRVAT-ZDUSSCGKSA-N 1 0 264.325 0.541 10 0 CCAERO COC(=O)N1CC[NH2+]C[C@H]1c1cccc(CO)c1 ZINC000616636212 365395216 /nfs/dbraw/zinc/39/52/16/365395216.db2.gz RWFJYBSEVNOCPT-LBPRGKRZSA-N 1 0 250.298 0.892 10 0 CCAERO CC(=O)Nc1ccc([C@@H]2C[NH2+]CCN2CCO)cc1 ZINC000616636566 365397327 /nfs/dbraw/zinc/39/73/27/365397327.db2.gz WBQNLDCGABCPOP-AWEZNQCLSA-N 1 0 263.341 0.584 10 0 CCAERO CC(=O)Nc1cccc([C@@H]2C[NH2+]CCN2C(N)=O)c1 ZINC000616639715 365399081 /nfs/dbraw/zinc/39/90/81/365399081.db2.gz ZVVREDNCNYQFQJ-LBPRGKRZSA-N 1 0 262.313 0.670 10 0 CCAERO OCCc1ccccc1[C@@H]1COCCC[N@H+]1CCO ZINC000616645621 365404220 /nfs/dbraw/zinc/40/42/20/365404220.db2.gz PKLJUNASYSNIPV-HNNXBMFYSA-N 1 0 265.353 0.977 10 0 CCAERO CC(C)(C)OC(=O)NC[C@H]1COCCCN1CC[NH3+] ZINC000616644770 365404344 /nfs/dbraw/zinc/40/43/44/365404344.db2.gz DRKPKBBHXAFZSL-NSHDSACASA-N 1 0 273.377 0.561 10 0 CCAERO CC(C)(C)OC(=O)NCCN1CCCOC[C@H]1C[NH3+] ZINC000616645178 365404506 /nfs/dbraw/zinc/40/45/06/365404506.db2.gz LXZKZXGACPIUGI-LLVKDONJSA-N 1 0 273.377 0.561 10 0 CCAERO [NH3+]CC[C@H]1COCCCN1S(=O)(=O)c1ccccc1 ZINC000616648580 365407284 /nfs/dbraw/zinc/40/72/84/365407284.db2.gz PTMGDQYLEVPOLB-LBPRGKRZSA-N 1 0 284.381 0.815 10 0 CCAERO [NH3+]CCN1CCCOC[C@@H]1c1ccc(CO)cc1 ZINC000616596865 365377827 /nfs/dbraw/zinc/37/78/27/365377827.db2.gz JGXJTHDRDBBGAU-CQSZACIVSA-N 1 0 250.342 0.901 10 0 CCAERO OCCc1ccc([C@H]2CCOCC[N@H+]2CCO)cc1 ZINC000616655957 365411428 /nfs/dbraw/zinc/41/14/28/365411428.db2.gz OCFOZUCWUUAZRB-OAHLLOKOSA-N 1 0 265.353 0.977 10 0 CCAERO [NH3+]CCN1CCOC[C@H]1S(=O)(=O)c1ccccc1 ZINC000616601739 365381246 /nfs/dbraw/zinc/38/12/46/365381246.db2.gz GRJLKWNPMHRBFI-GFCCVEGCSA-N 1 0 270.354 0.077 10 0 CCAERO NS(=O)(=O)N1CC[NH2+]C[C@H]1c1cccc2ncccc21 ZINC000616600347 365381421 /nfs/dbraw/zinc/38/14/21/365381421.db2.gz FMIRFCXOPZKCRL-ZDUSSCGKSA-N 1 0 292.364 0.385 10 0 CCAERO Cn1nc(C[NH2+][C@H]2CCOC[C@H]2O)c2ccccc21 ZINC000623764759 367650596 /nfs/dbraw/zinc/65/05/96/367650596.db2.gz JMVPHPPXVMTYBM-SMDDNHRTSA-N 1 0 261.325 0.813 10 0 CCAERO O[C@H]1COCC[C@H]1[NH2+]Cc1cccc2c1OCCO2 ZINC000623765631 367652803 /nfs/dbraw/zinc/65/28/03/367652803.db2.gz VQKCIDILFVRRQI-NEPJUHHUSA-N 1 0 265.309 0.697 10 0 CCAERO O[C@H]1COCC[C@@H]1[NH2+]C1CCN(c2ccccn2)CC1 ZINC000624236953 367800000 /nfs/dbraw/zinc/80/00/00/367800000.db2.gz NGCROFWBJZOKSQ-KBPBESRZSA-N 1 0 277.368 0.790 10 0 CCAERO C[C@@H]1CN(C(=O)CNC(=O)c2cccc(F)c2)C[C@H]1[NH3+] ZINC000335519445 212208433 /nfs/dbraw/zinc/20/84/33/212208433.db2.gz PRGNPFHXEVLGOT-BXKDBHETSA-N 1 0 279.315 0.361 10 0 CCAERO CC(C)c1nccnc1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000656219197 412769566 /nfs/dbraw/zinc/76/95/66/412769566.db2.gz NSXNPSLSMQITFV-NWDGAFQWSA-N 1 0 262.357 0.855 10 0 CCAERO O=C([C@H]1CNC(=O)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150800643 296137027 /nfs/dbraw/zinc/13/70/27/296137027.db2.gz VXKWJCSXXHDNTQ-CHWSQXEVSA-N 1 0 279.384 0.599 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@H]1Nc1ccc(S(N)(=O)=O)cn1 ZINC000229606625 189800936 /nfs/dbraw/zinc/80/09/36/189800936.db2.gz NBXVBVVXQXUBCC-WCBMZHEXSA-N 1 0 270.358 0.281 10 0 CCAERO O[C@H](C[NH2+][C@@H]1CCOC[C@@H]1O)COCc1cccs1 ZINC000629610592 369739876 /nfs/dbraw/zinc/73/98/76/369739876.db2.gz MOVROWRLGSWWPB-RTXFEEFZSA-N 1 0 287.381 0.365 10 0 CCAERO C[C@@H]1CN(C(=O)[C@]23CCC[C@H]2OCC3)C[C@@H]1C[NH3+] ZINC000630094627 369953427 /nfs/dbraw/zinc/95/34/27/369953427.db2.gz VOOWFRNRMMKJSM-CZXHOFHRSA-N 1 0 252.358 0.999 10 0 CCAERO C[C@@H]1CN(C[C@@H](O)CC2(O)CCOCC2)C[C@@H]1[NH+](C)C ZINC000630044773 369919818 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CO[C@@H]1CN(C(=O)c2ccc(C)[nH]c2=O)[C@](C)(C[NH3+])C1 ZINC000630367976 370069093 /nfs/dbraw/zinc/06/90/93/370069093.db2.gz OUWHHZXFSLFOPK-HZMBPMFUSA-N 1 0 279.340 0.674 10 0 CCAERO CO[C@@H]1CN(C(=O)c2cncc(C)c2)[C@](C)(C[NH3+])C1 ZINC000630369425 370070286 /nfs/dbraw/zinc/07/02/86/370070286.db2.gz BBTQVELYJHHZRA-JSGCOSHPSA-N 1 0 263.341 0.968 10 0 CCAERO CO[C@H]1CN(C(=O)c2cscn2)[C@](C)(C[NH3+])C1 ZINC000630370956 370072193 /nfs/dbraw/zinc/07/21/93/370072193.db2.gz ITXWGCKDPDDCRO-KCJUWKMLSA-N 1 0 255.343 0.721 10 0 CCAERO CO[C@H]1CN(C(=O)CCOCC(F)(F)F)[C@@](C)(C[NH3+])C1 ZINC000630372925 370073998 /nfs/dbraw/zinc/07/39/98/370073998.db2.gz XWSWWSVEISZTFI-MWLCHTKSSA-N 1 0 298.305 0.920 10 0 CCAERO CO[C@@H]1CN(C(=O)[C@@H]2CCCCO2)[C@](C)(C[NH3+])C1 ZINC000630372858 370074104 /nfs/dbraw/zinc/07/41/04/370074104.db2.gz HXAGQFNPJMIYHK-GVXVVHGQSA-N 1 0 256.346 0.520 10 0 CCAERO CO[C@@H]1CN(C(=O)[C@@H]2CCCS2)[C@](C)(C[NH3+])C1 ZINC000630373213 370074430 /nfs/dbraw/zinc/07/44/30/370074430.db2.gz YUFAQNJQJTUDCM-NHCYSSNCSA-N 1 0 258.387 0.847 10 0 CCAERO [NH3+][C@H]1CC[C@H](C(=O)NCc2n[nH]cc2Br)C1 ZINC000567802223 291515635 /nfs/dbraw/zinc/51/56/35/291515635.db2.gz LPNBWYJLDVNDIY-BQBZGAKWSA-N 1 0 287.161 0.916 10 0 CCAERO C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@@H](O)C(F)(F)F)C1 ZINC000235268536 189826626 /nfs/dbraw/zinc/82/66/26/189826626.db2.gz JYTCFOIFVBNWLI-BWZBUEFSSA-N 1 0 254.252 0.414 10 0 CCAERO O=C(N[C@@H]1CCCCNC1=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634736982 372180311 /nfs/dbraw/zinc/18/03/11/372180311.db2.gz FQOAFHPOFOSFCF-WDMOLILDSA-N 1 0 265.357 0.161 10 0 CCAERO C[C@H](NC(=O)[C@]12CCC[C@H]1C[NH2+]C2)c1ncon1 ZINC000634770341 372219943 /nfs/dbraw/zinc/21/99/43/372219943.db2.gz IDFNPTNJTCIOPR-AUTRQRHGSA-N 1 0 250.302 0.637 10 0 CCAERO O=C(NC[C@@H]1CCC[C@@H]1O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634747813 372195360 /nfs/dbraw/zinc/19/53/60/372195360.db2.gz AQWHBUBNFVYHCY-MNXVOIDGSA-N 1 0 252.358 0.653 10 0 CCAERO C[C@]1(CNC(=O)[C@]23CCC[C@H]2C[NH2+]C3)CCOC1 ZINC000634751500 372197912 /nfs/dbraw/zinc/19/79/12/372197912.db2.gz RUFDXOCJJJYUJQ-YUTCNCBUSA-N 1 0 252.358 0.919 10 0 CCAERO C[C@@]1(CNC(=O)[C@]23CCC[C@H]2C[NH2+]C3)CCOC1 ZINC000634751499 372197927 /nfs/dbraw/zinc/19/79/27/372197927.db2.gz RUFDXOCJJJYUJQ-UBHSHLNASA-N 1 0 252.358 0.919 10 0 CCAERO C[C@H]1CN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)CCS1(=O)=O ZINC000634754534 372203825 /nfs/dbraw/zinc/20/38/25/372203825.db2.gz DMBWALOQFWVOCS-GVXVVHGQSA-N 1 0 286.397 0.022 10 0 CCAERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCCS(=O)(=O)CC1 ZINC000634961123 372314473 /nfs/dbraw/zinc/31/44/73/372314473.db2.gz LNUDXCRUTHQWFK-GHMZBOCLSA-N 1 0 263.403 0.950 10 0 CCAERO Cc1cc(C(=O)NC[C@@H]([NH3+])C2CC2)c2cnn(C)c2n1 ZINC000237867137 189891910 /nfs/dbraw/zinc/89/19/10/189891910.db2.gz ONIUWKOTLKUIIO-GFCCVEGCSA-N 1 0 273.340 0.744 10 0 CCAERO COc1ncncc1NC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333078783 205012998 /nfs/dbraw/zinc/01/29/98/205012998.db2.gz AIQBSDKUIRARKE-SECBINFHSA-N 1 0 265.317 0.749 10 0 CCAERO Cc1noc(NC(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000333094026 205023799 /nfs/dbraw/zinc/02/37/99/205023799.db2.gz BKRDNDQNXKPUDT-CBAPKCEASA-N 1 0 253.306 0.310 10 0 CCAERO CC(C)C1(CNC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000333156310 205077151 /nfs/dbraw/zinc/07/71/51/205077151.db2.gz FSHFIZQRQTYKAY-QWRGUYRKSA-N 1 0 255.362 0.397 10 0 CCAERO CC[C@@H](C)n1[nH]c(=NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)cc1C ZINC000333205592 205115826 /nfs/dbraw/zinc/11/58/26/205115826.db2.gz YUMKCHHBJPLOKD-USWWRNFRSA-N 1 0 295.387 0.381 10 0 CCAERO C[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@H](F)C[C@H]1CO ZINC000333206982 205117307 /nfs/dbraw/zinc/11/73/07/205117307.db2.gz AVYNYEHWBDIIPD-MXWKQRLJSA-N 1 0 259.325 0.195 10 0 CCAERO CN(C(=O)CNC(=O)NC[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000333297379 205195589 /nfs/dbraw/zinc/19/55/89/205195589.db2.gz IMWCDEQBCDJLAL-LBPRGKRZSA-N 1 0 296.415 0.686 10 0 CCAERO CCc1noc(NC(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000333347941 205240475 /nfs/dbraw/zinc/24/04/75/205240475.db2.gz QYTQOBCVNRALDG-RKDXNWHRSA-N 1 0 267.333 0.564 10 0 CCAERO COc1cnc(NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)nc1 ZINC000333362444 205255410 /nfs/dbraw/zinc/25/54/10/205255410.db2.gz SZSGXVRXHXYOIV-PSASIEDQSA-N 1 0 265.317 0.605 10 0 CCAERO C[C@H](CO[C@@H]1CCOC1)NC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333430250 205313914 /nfs/dbraw/zinc/31/39/14/205313914.db2.gz ULXDJHCHYHLCAO-JHJVBQTASA-N 1 0 285.388 0.622 10 0 CCAERO CC(C)n1[nH]cnc1=NC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000333464525 205342272 /nfs/dbraw/zinc/34/22/72/205342272.db2.gz ZTMXFKVOYCGAQC-UHFFFAOYSA-N 1 0 292.387 0.840 10 0 CCAERO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000333639496 205536548 /nfs/dbraw/zinc/53/65/48/205536548.db2.gz HWTVJHMQUWVREO-GWCFXTLKSA-N 1 0 294.399 0.295 10 0 CCAERO C[C@@H](Cc1cnn(C)c1)NC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333660462 205563274 /nfs/dbraw/zinc/56/32/74/205563274.db2.gz WYLNGUCFGOFQPA-WCQYABFASA-N 1 0 279.388 0.792 10 0 CCAERO C[C@@H]1CCC[C@@H](CNC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000333823297 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C[C@@H]1C(=O)NCCC[N@H+]1C[C@@H](O)COCc1ccco1 ZINC000248985580 285094878 /nfs/dbraw/zinc/09/48/78/285094878.db2.gz DYNRNUNCCMQPAV-VXGBXAGGSA-N 1 0 282.340 0.368 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)C[C@H](C)OC)C1 ZINC000249438452 285116801 /nfs/dbraw/zinc/11/68/01/285116801.db2.gz FITGUKBGZPMUDT-WDEREUQCSA-N 1 0 264.391 0.425 10 0 CCAERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CNC(=O)C1 ZINC000249839977 285140808 /nfs/dbraw/zinc/14/08/08/285140808.db2.gz VUVCKDZZOGMIGB-GRYCIOLGSA-N 1 0 267.373 0.359 10 0 CCAERO O=C(CN1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)NC1CC1 ZINC000303046024 285167326 /nfs/dbraw/zinc/16/73/26/285167326.db2.gz VJYQVHUUQCBCQV-UONOGXRCSA-N 1 0 281.400 0.186 10 0 CCAERO CCC(C)(C)NC(=O)C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000392901052 285205998 /nfs/dbraw/zinc/20/59/98/285205998.db2.gz SMKGDIZYXZIGDE-NXEZZACHSA-N 1 0 255.362 0.548 10 0 CCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000392947916 285206472 /nfs/dbraw/zinc/20/64/72/285206472.db2.gz YOCIBPFDJNAXAP-ACLDMZEESA-N 1 0 254.252 0.556 10 0 CCAERO COC[C@@H]([NH3+])C(=O)N1Cc2ccccc2N(C)C[C@@H]1C ZINC000262359624 285225814 /nfs/dbraw/zinc/22/58/14/285225814.db2.gz VJKDQLGMMXIHCD-WCQYABFASA-N 1 0 277.368 0.827 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)CN2CCCC2=O)C1 ZINC000194160629 285267593 /nfs/dbraw/zinc/26/75/93/285267593.db2.gz HMHHBBRGGJAWFI-STQMWFEESA-N 1 0 296.415 0.781 10 0 CCAERO O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH+]1CCCC1 ZINC000024936447 388811443 /nfs/dbraw/zinc/81/14/43/388811443.db2.gz QHPPPBVZJRRMPG-NSHDSACASA-N 1 0 274.320 0.739 10 0 CCAERO Cc1ccccc1NC(=O)CC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000185144231 388789345 /nfs/dbraw/zinc/78/93/45/388789345.db2.gz UFPOBAPUAAOUEE-OLZOCXBDSA-N 1 0 278.352 0.751 10 0 CCAERO O=C(Nc1ccc(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)cc1)C1CC1 ZINC000040856442 388858429 /nfs/dbraw/zinc/85/84/29/388858429.db2.gz ZWMQQOIAISDBEB-STQMWFEESA-N 1 0 289.335 0.696 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(C)C(=O)[C@@H]2C)C1 ZINC000187068369 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COC(=O)[C@@H]1CCCN(C(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000593911863 390367287 /nfs/dbraw/zinc/36/72/87/390367287.db2.gz POPNVVXBTAVSRA-NWDGAFQWSA-N 1 0 268.357 0.788 10 0 CCAERO COC(=O)[C@@H]1CCCN(C(=O)[C@H]2CC23CC[NH2+]CC3)C1 ZINC000593911803 390367291 /nfs/dbraw/zinc/36/72/91/390367291.db2.gz MEUXNQWDMPPAET-VXGBXAGGSA-N 1 0 280.368 0.788 10 0 CCAERO COC[C@]1(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)CCC[NH2+]1 ZINC000643645598 390487927 /nfs/dbraw/zinc/48/79/27/390487927.db2.gz VFRWIXFDPCFTGM-GUTXKFCHSA-N 1 0 282.384 0.925 10 0 CCAERO COC[C@]1(C(=O)NC[C@H]2CCC[C@H]2O)CCC[NH2+]1 ZINC000643668135 390495136 /nfs/dbraw/zinc/49/51/36/390495136.db2.gz DSQHETZSRHJADW-WZRBSPASSA-N 1 0 256.346 0.032 10 0 CCAERO COC[C@]1(C(=O)N[C@@H](C)c2cnn(C)c2)CCC[NH2+]1 ZINC000643688567 390500307 /nfs/dbraw/zinc/50/03/07/390500307.db2.gz BIQZUAFLRQEWMP-GWCFXTLKSA-N 1 0 266.345 0.366 10 0 CCAERO OC[C@H]1C[C@@H](O)C[N@@H+]1CCc1c(F)cccc1F ZINC000645842329 390508761 /nfs/dbraw/zinc/50/87/61/390508761.db2.gz FESUYTWHECCQAU-NXEZZACHSA-N 1 0 257.280 0.935 10 0 CCAERO COC[C@@]1(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)CCC[NH2+]1 ZINC000643712436 390510934 /nfs/dbraw/zinc/51/09/34/390510934.db2.gz SNOFIQNSNVXLBE-MNOVXSKESA-N 1 0 296.289 0.281 10 0 CCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1CCCN1C(=O)C(C)(C)C ZINC000643590571 390463930 /nfs/dbraw/zinc/46/39/30/390463930.db2.gz SPAJIMSBTZCCGH-UTUOFQBUSA-N 1 0 281.400 0.972 10 0 CCAERO CCOCCCNC(=O)C1(CCOC)CC[NH2+]CC1 ZINC000643615936 390470562 /nfs/dbraw/zinc/47/05/62/390470562.db2.gz BYBPXEPMIVQAON-UHFFFAOYSA-N 1 0 272.389 0.936 10 0 CCAERO O=C(N[C@H]1CCc2ccccc2C1)[C@@H]1C[NH2+]CCOC1 ZINC000643621059 390475604 /nfs/dbraw/zinc/47/56/04/390475604.db2.gz XOEINIFTSVKRON-CABCVRRESA-N 1 0 274.364 0.896 10 0 CCAERO O=C(NCc1cccc(F)c1)[C@@H]1C[NH2+]CCOC1 ZINC000643628412 390479652 /nfs/dbraw/zinc/47/96/52/390479652.db2.gz WFQGAGXWOYJGIY-LLVKDONJSA-N 1 0 252.289 0.678 10 0 CCAERO Cn1cc([C@@H]2CCCN2C(=O)[C@@H]2C[NH2+]CCOC2)cn1 ZINC000649322360 390579903 /nfs/dbraw/zinc/57/99/03/390579903.db2.gz OTQSFHWITRRQKW-OLZOCXBDSA-N 1 0 278.356 0.320 10 0 CCAERO COC[C@@]1(C(=O)N(C)Cc2cc[nH]n2)CCC[NH2+]1 ZINC000649329813 390587534 /nfs/dbraw/zinc/58/75/34/390587534.db2.gz IERWQSXAMGLXIC-GFCCVEGCSA-N 1 0 252.318 0.137 10 0 CCAERO CCN(Cc1ccccn1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649332374 390588245 /nfs/dbraw/zinc/58/82/45/390588245.db2.gz XPZPDRPOVXZNGA-GFCCVEGCSA-N 1 0 263.341 0.666 10 0 CCAERO Cc1ccc(O)c(NC(=O)[C@@H]2C[NH2+]CCOC2)c1 ZINC000643770329 390539009 /nfs/dbraw/zinc/53/90/09/390539009.db2.gz MFJYSUQFRBTZTK-SNVBAGLBSA-N 1 0 250.298 0.875 10 0 CCAERO [NH3+][C@H]1CCCN(C(=O)Cn2cnc3ccccc32)C1 ZINC000649268234 390541194 /nfs/dbraw/zinc/54/11/94/390541194.db2.gz HDDKGPJRTHCNJH-NSHDSACASA-N 1 0 258.325 0.986 10 0 CCAERO COC[C@@]1(C(=O)N2CCO[C@H](C(C)C)C2)CCC[NH2+]1 ZINC000643780430 390545336 /nfs/dbraw/zinc/54/53/36/390545336.db2.gz IKYZRCGFDLTGFF-GXTWGEPZSA-N 1 0 270.373 0.638 10 0 CCAERO COC[C@@]1(C(=O)N2CCN(C3CC3)CC2)CCC[NH2+]1 ZINC000649286898 390551297 /nfs/dbraw/zinc/55/12/97/390551297.db2.gz LLKFFBXKZKBYPE-CQSZACIVSA-N 1 0 267.373 0.062 10 0 CCAERO COC[C@]1(C(=O)NCc2nccs2)CCC[NH2+]1 ZINC000649302049 390561185 /nfs/dbraw/zinc/56/11/85/390561185.db2.gz OHLZCRYUASZKMS-NSHDSACASA-N 1 0 255.343 0.528 10 0 CCAERO Cc1ncc(CNC(=O)[C@H]2C[NH2+]CCOC2)s1 ZINC000649305808 390565021 /nfs/dbraw/zinc/56/50/21/390565021.db2.gz CHVSLRAZTLWAHG-VIFPVBQESA-N 1 0 255.343 0.304 10 0 CCAERO COC[C@]1(C(=O)NCc2cscn2)CCC[NH2+]1 ZINC000649312409 390572429 /nfs/dbraw/zinc/57/24/29/390572429.db2.gz NORDSZHSFBANQK-NSHDSACASA-N 1 0 255.343 0.528 10 0 CCAERO O[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)CN1CCOCC1 ZINC000646093476 390595922 /nfs/dbraw/zinc/59/59/22/390595922.db2.gz ALPFEPQCQHVNFA-REWJHTLYSA-N 1 0 254.374 0.458 10 0 CCAERO Cc1cnc(CNC(=O)[C@@H]2C[NH2+]CCOC2)s1 ZINC000649342205 390596606 /nfs/dbraw/zinc/59/66/06/390596606.db2.gz SVRNLAYLWJFFKT-SECBINFHSA-N 1 0 255.343 0.304 10 0 CCAERO O=C(c1ccc2c(c1)OCO2)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000567102829 390671561 /nfs/dbraw/zinc/67/15/61/390671561.db2.gz SGJFBPUGVWXTLN-GXFFZTMASA-N 1 0 276.292 0.228 10 0 CCAERO Cc1ccc(Cl)c(OCC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000647040761 390763663 /nfs/dbraw/zinc/76/36/63/390763663.db2.gz RMCXIXGNLHLBEI-CMPLNLGQSA-N 1 0 298.770 0.724 10 0 CCAERO Cc1nn(C)c2ncc(C(=O)N3CC[C@@H]([NH3+])[C@H]3C)cc12 ZINC000647044542 390764370 /nfs/dbraw/zinc/76/43/70/390764370.db2.gz GSDAQRRWVWGNMD-BXKDBHETSA-N 1 0 273.340 0.838 10 0 CCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000647045646 390765172 /nfs/dbraw/zinc/76/51/72/390765172.db2.gz UVDIBIWIKZGGBF-SCZZXKLOSA-N 1 0 275.308 0.579 10 0 CCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000647045650 390765196 /nfs/dbraw/zinc/76/51/96/390765196.db2.gz UXEZKZAEDXEGFG-SKDRFNHKSA-N 1 0 297.380 0.620 10 0 CCAERO CCOC(=O)c1cnc(NC[C@@H](C)C[NH3+])nc1C ZINC000572587842 390790655 /nfs/dbraw/zinc/79/06/55/390790655.db2.gz SPKZCIFUYHCNJN-QMMMGPOBSA-N 1 0 252.318 0.390 10 0 CCAERO CCCCOC[C@H](O)C[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000578437224 390883328 /nfs/dbraw/zinc/88/33/28/390883328.db2.gz WQWGVMQTUXHOTA-CHWSQXEVSA-N 1 0 293.429 0.721 10 0 CCAERO CN1C[C@@H](C[NH2+]Cc2cnn(CC(F)F)c2)CC1=O ZINC000657694295 413049519 /nfs/dbraw/zinc/04/95/19/413049519.db2.gz CCYAIXFBCCVKQD-SECBINFHSA-N 1 0 272.299 0.716 10 0 CCAERO CCCn1cc(C[NH2+]C[C@H]2CC(=O)N(C)C2)cn1 ZINC000657696386 413049500 /nfs/dbraw/zinc/04/95/00/413049500.db2.gz IZSXOIVCEYZJDJ-LLVKDONJSA-N 1 0 250.346 0.861 10 0 CCAERO COc1ccnc(CN2CCO[C@@H](C[NH+](C)C)C2)c1OC ZINC000190527965 130115102 /nfs/dbraw/zinc/11/51/02/130115102.db2.gz ZGNSYCVKUYOTOX-LBPRGKRZSA-N 1 0 295.383 0.861 10 0 CCAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)NC[C@H]2CC[C@H](O)C2)C1 ZINC000342167362 130357115 /nfs/dbraw/zinc/35/71/15/130357115.db2.gz YWGDLTWOPZJWAB-RVMXOQNASA-N 1 0 269.389 0.929 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)Nc1nncs1 ZINC000247026380 131100600 /nfs/dbraw/zinc/10/06/00/131100600.db2.gz GFLVAXDVRUDEJZ-UWVGGRQHSA-N 1 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/nfs/dbraw/zinc/37/57/36/397375736.db2.gz BWQYCMFCMWYJOQ-KKOKHZNYSA-N 1 0 290.429 0.689 10 0 CCAERO CO[C@H](C)c1nc(C)c(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)s1 ZINC000262070043 143935145 /nfs/dbraw/zinc/93/51/45/143935145.db2.gz BOYCIWZWDQAQJJ-KXUCPTDWSA-N 1 0 299.396 0.469 10 0 CCAERO CC[C@@H](C)NC(=O)CCNC(=O)C1CCC([NH3+])CC1 ZINC000038015023 397391596 /nfs/dbraw/zinc/39/15/96/397391596.db2.gz ZUQSQEIUNLIJTM-VOMCLLRMSA-N 1 0 269.389 0.925 10 0 CCAERO [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000040462080 397393527 /nfs/dbraw/zinc/39/35/27/397393527.db2.gz FVHASGBLQJTQQI-MCIONIFRSA-N 1 0 262.353 0.976 10 0 CCAERO CCOCCN(CC)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131293678 397412774 /nfs/dbraw/zinc/41/27/74/397412774.db2.gz TUSAGBACIILDGR-UHFFFAOYSA-N 1 0 271.405 0.555 10 0 CCAERO C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131289281 397412909 /nfs/dbraw/zinc/41/29/09/397412909.db2.gz AFCHRXYVLDLLFV-VXGBXAGGSA-N 1 0 253.390 0.975 10 0 CCAERO CSCCCNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131297241 397413804 /nfs/dbraw/zinc/41/38/04/397413804.db2.gz PTCBBWDWEBCNEZ-UHFFFAOYSA-N 1 0 259.419 0.540 10 0 CCAERO C[C@@H]1C[C@H](CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)CCO1 ZINC000371432698 144331647 /nfs/dbraw/zinc/33/16/47/144331647.db2.gz KXDBAMAZSXHLLV-MGPQQGTHSA-N 1 0 299.415 0.774 10 0 CCAERO CCN1C[C@H](NC(=O)[C@H]2CCC[C@H]2C[NH3+])CC1=O ZINC000391625205 397512023 /nfs/dbraw/zinc/51/20/23/397512023.db2.gz QJJMKPKSIVONAA-AXFHLTTASA-N 1 0 253.346 0.098 10 0 CCAERO O[C@]1(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CCOC1 ZINC000194126444 296588805 /nfs/dbraw/zinc/58/88/05/296588805.db2.gz VVPDQSNPLRERSB-XQHKEYJVSA-N 1 0 253.342 0.685 10 0 CCAERO C[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000334922737 297102800 /nfs/dbraw/zinc/10/28/00/297102800.db2.gz FKMPNBPMTHNPCH-MNOVXSKESA-N 1 0 255.362 0.947 10 0 CCAERO CCCN(C)S(=O)(=O)C[C@@H]([NH3+])C1CCOCC1 ZINC000757149644 581696546 /nfs/dbraw/zinc/69/65/46/581696546.db2.gz GBJBYXNZPYCBEL-LLVKDONJSA-N 1 0 264.391 0.412 10 0 CCAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)C2=O)C12CCOCC2 ZINC000186412216 286398700 /nfs/dbraw/zinc/39/87/00/286398700.db2.gz NFUOOKGSLMIDJR-FRRDWIJNSA-N 1 0 282.384 0.781 10 0 CCAERO COC[C@]1(C(=O)NCCO[C@H]2CC2(F)F)CCC[NH2+]1 ZINC000659345334 413438765 /nfs/dbraw/zinc/43/87/65/413438765.db2.gz HZARLBYSOXDLAX-ONGXEEELSA-N 1 0 278.299 0.295 10 0 CCAERO O=C(C[C@H]1CCC[NH2+]C1)NCCO[C@H]1CC1(F)F ZINC000659345808 413439000 /nfs/dbraw/zinc/43/90/00/413439000.db2.gz OYUPKSADGQVALI-ZJUUUORDSA-N 1 0 262.300 0.917 10 0 CCAERO CCS(=O)(=O)C1(CNC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000659380049 413461314 /nfs/dbraw/zinc/46/13/14/413461314.db2.gz WAXMZADQVGYMLB-JTQLQIEISA-N 1 0 274.386 0.070 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)N(C)CC ZINC000246859308 287230446 /nfs/dbraw/zinc/23/04/46/287230446.db2.gz FMAKRAVFCSYNND-NEPJUHHUSA-N 1 0 275.418 0.742 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)N(C)C ZINC000246797641 287230524 /nfs/dbraw/zinc/23/05/24/287230524.db2.gz AVLPTYJPLOAOCP-MNOVXSKESA-N 1 0 261.391 0.351 10 0 CCAERO CN(C)S(=O)(=O)c1ccc(OCCC[NH3+])cc1 ZINC000011801416 170442126 /nfs/dbraw/zinc/44/21/26/170442126.db2.gz FOCKQKQARMVFJD-UHFFFAOYSA-N 1 0 258.343 0.665 10 0 CCAERO [NH3+]C1CCC(C(=O)N2CC[C@@H](N3CCOCC3)C2)CC1 ZINC000062976766 411687275 /nfs/dbraw/zinc/68/72/75/411687275.db2.gz WTQMQGVGNQXOJU-JXQTWKCFSA-N 1 0 281.400 0.437 10 0 CCAERO CC(C)[NH2+]C[C@@H]1OCCN(C)[C@H]1c1cnn(C)c1 ZINC000070286360 411692516 /nfs/dbraw/zinc/69/25/16/411692516.db2.gz GNDRDZDXHKDMNG-STQMWFEESA-N 1 0 252.362 0.790 10 0 CCAERO COC[C@@]1(C(=O)N[C@@H](C)c2ncc(C)o2)CC[NH2+]C1 ZINC000311716990 411752151 /nfs/dbraw/zinc/75/21/51/411752151.db2.gz OMAKFFOUTOMVTK-GXFFZTMASA-N 1 0 267.329 0.786 10 0 CCAERO C[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)C2)[C@H]1CC[NH3+] ZINC000404283160 411796101 /nfs/dbraw/zinc/79/61/01/411796101.db2.gz PLFOMDOABBNFLG-MXWKQRLJSA-N 1 0 253.346 0.098 10 0 CCAERO CCO[C@@H]1CN(c2ccc3nccnc3n2)C[C@H]1C[NH3+] ZINC000405373662 411801753 /nfs/dbraw/zinc/80/17/53/411801753.db2.gz KQNHRFSPEBWBLJ-ZYHUDNBSSA-N 1 0 273.340 0.825 10 0 CCAERO CC(=O)N1CCC(n2cc(NC(N)=[NH2+])cn2)CC1 ZINC000584644754 411833377 /nfs/dbraw/zinc/83/33/77/411833377.db2.gz FQWSPICMPVAKLQ-UHFFFAOYSA-N 1 0 250.306 0.372 10 0 CCAERO CCOC(=O)[C@@](O)(c1c[nH+]c(N)n1C)C(F)(F)F ZINC000616582892 411840317 /nfs/dbraw/zinc/84/03/17/411840317.db2.gz QGEMABTVAXPOBO-QMMMGPOBSA-N 1 0 267.207 0.315 10 0 CCAERO COC(=O)C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000616572034 411841359 /nfs/dbraw/zinc/84/13/59/411841359.db2.gz SVMKLFGPIYJSML-NWDGAFQWSA-N 1 0 280.299 0.642 10 0 CCAERO C[C@@H]1CC[C@H](C(=O)Nc2cccc(S(N)(=O)=O)c2)C[NH2+]1 ZINC000019437162 170800494 /nfs/dbraw/zinc/80/04/94/170800494.db2.gz SSRZPMGHHIUQFL-ZJUUUORDSA-N 1 0 297.380 0.661 10 0 CCAERO C[C@H]1CC[C@@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)C[NH2+]1 ZINC000019488775 170813880 /nfs/dbraw/zinc/81/38/80/170813880.db2.gz OGRATTQYEQXZPX-VHSXEESVSA-N 1 0 297.380 0.661 10 0 CCAERO [NH3+]CCc1csc(CC(=O)NC[C@H]2CCCO2)n1 ZINC000019672993 170836736 /nfs/dbraw/zinc/83/67/36/170836736.db2.gz FFJQIMDSVPNHOR-SNVBAGLBSA-N 1 0 269.370 0.482 10 0 CCAERO CO[C@@H]1C[C@@H](CO)N(Cc2cn3ccccc3n2)C1 ZINC000284511754 196073157 /nfs/dbraw/zinc/07/31/57/196073157.db2.gz ICUNKGYXBMERQG-QWHCGFSZSA-N 1 0 261.325 0.916 10 0 CCAERO CCCCC(=O)N1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000020184154 171047377 /nfs/dbraw/zinc/04/73/77/171047377.db2.gz WTCRHNIAIIEODJ-GFCCVEGCSA-N 1 0 267.373 0.599 10 0 CCAERO Cc1ccc(NS(=O)(=O)N2CC[NH2+]CC2)c(F)c1 ZINC000020372763 171168961 /nfs/dbraw/zinc/16/89/61/171168961.db2.gz AAYHRRSWAMCFDT-UHFFFAOYSA-N 1 0 273.333 0.696 10 0 CCAERO CNC(=O)NC(=O)[C@@H](C)Oc1ccccc1C[NH3+] ZINC000020386570 171177052 /nfs/dbraw/zinc/17/70/52/171177052.db2.gz CMBISOJMALNAEG-MRVPVSSYSA-N 1 0 251.286 0.368 10 0 CCAERO COc1ccc(OCCS(=O)(=O)CC[NH3+])cc1 ZINC000020399469 171181299 /nfs/dbraw/zinc/18/12/99/171181299.db2.gz GQBMFBYFIJDOJZ-UHFFFAOYSA-N 1 0 259.327 0.448 10 0 CCAERO CCC[NH+]1CCN(c2c(CO)c(C)nn2C)CC1 ZINC000020468179 171210268 /nfs/dbraw/zinc/21/02/68/171210268.db2.gz XJURUMKHFDTRCI-UHFFFAOYSA-N 1 0 252.362 0.753 10 0 CCAERO CCOc1cc(C[NH2+]CCO)ccc1OCCO ZINC000020934546 171280817 /nfs/dbraw/zinc/28/08/17/171280817.db2.gz NYOHJHFIFXXRRX-UHFFFAOYSA-N 1 0 255.314 0.538 10 0 CCAERO C[C@@H]([NH2+]CC(N)=O)c1ccc2c(c1)OCCCO2 ZINC000022143367 171356080 /nfs/dbraw/zinc/35/60/80/171356080.db2.gz CKNFPTXZJUJVDU-SECBINFHSA-N 1 0 250.298 0.984 10 0 CCAERO CC[C@H]([NH3+])c1ccc(OCC(=O)NC(N)=O)cc1 ZINC000022167912 171366833 /nfs/dbraw/zinc/36/68/33/171366833.db2.gz LIDUMMIVUFONLV-JTQLQIEISA-N 1 0 251.286 0.670 10 0 CCAERO [NH3+]Cc1ccccc1NC(=O)CN1CCC(O)CC1 ZINC000022215207 171375405 /nfs/dbraw/zinc/37/54/05/171375405.db2.gz FOBGTPTXJKJUDD-UHFFFAOYSA-N 1 0 263.341 0.541 10 0 CCAERO COc1ccc(N)cc1NC(=O)CCN1CC[NH+](C)CC1 ZINC000022220085 171377062 /nfs/dbraw/zinc/37/70/62/171377062.db2.gz GOVJWYIIWVOEHS-UHFFFAOYSA-N 1 0 292.383 0.853 10 0 CCAERO C[C@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CCO1 ZINC000653063033 412206845 /nfs/dbraw/zinc/20/68/45/412206845.db2.gz UBQXVJGKPIFWEW-DJLDLDEBSA-N 1 0 266.263 0.632 10 0 CCAERO O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653071517 412208968 /nfs/dbraw/zinc/20/89/68/412208968.db2.gz JDFSXFJCJYQYRN-UTINFBMNSA-N 1 0 280.290 0.804 10 0 CCAERO CN1CCC[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1=O ZINC000653092069 412215621 /nfs/dbraw/zinc/21/56/21/412215621.db2.gz QOLXCDGPALLXBH-IWSPIJDZSA-N 1 0 293.289 0.121 10 0 CCAERO CC1(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)COC1 ZINC000653089534 412214088 /nfs/dbraw/zinc/21/40/88/412214088.db2.gz KMYGIICXXXLMMJ-HTQZYQBOSA-N 1 0 266.263 0.537 10 0 CCAERO C[C@@H](O)CCN(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653092325 412215715 /nfs/dbraw/zinc/21/57/15/412215715.db2.gz ZFHTXRZWIQKGSE-IWSPIJDZSA-N 1 0 268.279 0.614 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc2[nH]ccc2c1 ZINC000653139305 412238200 /nfs/dbraw/zinc/23/82/00/412238200.db2.gz ZGBZKTVFISUEBU-DGCLKSJQSA-N 1 0 259.309 0.478 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1CCc2ccccc2C1 ZINC000653138629 412238341 /nfs/dbraw/zinc/23/83/41/412238341.db2.gz CYWZEJVNZSEEEA-QLFBSQMISA-N 1 0 274.364 0.488 10 0 CCAERO C[C@H]([NH2+]CCC(N)=O)c1ccc2c(c1)OCCO2 ZINC000035149949 172012247 /nfs/dbraw/zinc/01/22/47/172012247.db2.gz AMDINKZOEXVWLW-VIFPVBQESA-N 1 0 250.298 0.984 10 0 CCAERO NC(=O)[C@@H]1CCCN1c1nc2sccn2c1C[NH3+] ZINC000035430032 172198472 /nfs/dbraw/zinc/19/84/72/172198472.db2.gz PFIGTRBOOBEORG-ZETCQYMHSA-N 1 0 265.342 0.309 10 0 CCAERO CCCNC(=O)CNC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000035663404 172341749 /nfs/dbraw/zinc/34/17/49/172341749.db2.gz RVSJHALUMLIDOK-SDDRHHMPSA-N 1 0 267.373 0.550 10 0 CCAERO CCN(CCC[NH3+])c1ccnc(C(=O)N(C)C)c1 ZINC000035672795 172343828 /nfs/dbraw/zinc/34/38/28/172343828.db2.gz AEJDIWBQIYANFI-UHFFFAOYSA-N 1 0 250.346 0.959 10 0 CCAERO C[C@@H](NC(=O)C(=O)N1CCC[NH2+]CC1)c1ccco1 ZINC000035739821 172393810 /nfs/dbraw/zinc/39/38/10/172393810.db2.gz QRRLZZHLQHCLPJ-SNVBAGLBSA-N 1 0 265.313 0.279 10 0 CCAERO CN(C(=O)Cc1ccc(Cl)cc1)[C@@H]1C[NH2+]C[C@H]1O ZINC000036261442 172554142 /nfs/dbraw/zinc/55/41/42/172554142.db2.gz ANMZDMIYGCTFBZ-VXGBXAGGSA-N 1 0 268.744 0.674 10 0 CCAERO O=c1c2ccccc2ncn1C[C@H](O)C[NH2+]C1CC1 ZINC000037372362 173162075 /nfs/dbraw/zinc/16/20/75/173162075.db2.gz JFDCGLJQQQSWFD-LLVKDONJSA-N 1 0 259.309 0.509 10 0 CCAERO CC(C)COC(=O)N(CC(N)=O)[C@H]1CCC[NH2+]C1 ZINC000037542242 173263770 /nfs/dbraw/zinc/26/37/70/173263770.db2.gz QXNVRHDMBSAPCS-JTQLQIEISA-N 1 0 257.334 0.318 10 0 CCAERO Cc1n[nH]cc1S(=O)(=O)N(C)CC[C@H]1CCCC[NH2+]1 ZINC000037730548 173650580 /nfs/dbraw/zinc/65/05/80/173650580.db2.gz MTBCQUQXVPRECQ-LLVKDONJSA-N 1 0 286.401 0.871 10 0 CCAERO C[C@@H](NS(=O)(=O)c1cn[nH]c1)C1CC[NH2+]CC1 ZINC000037745006 173667492 /nfs/dbraw/zinc/66/74/92/173667492.db2.gz WUJLYMAYSOFYRH-MRVPVSSYSA-N 1 0 258.347 0.076 10 0 CCAERO CCOC(=O)[C@@H]1CSCCN1C(=O)CCC[NH2+]C ZINC000037803880 173743844 /nfs/dbraw/zinc/74/38/44/173743844.db2.gz DSYVDTDLZMTHST-JTQLQIEISA-N 1 0 274.386 0.493 10 0 CCAERO CCOC(=O)[C@@H](c1cccc(O)c1)N1CC[NH2+]CC1 ZINC000037964162 173907650 /nfs/dbraw/zinc/90/76/50/173907650.db2.gz CSLHXWXYECNKEO-CYBMUJFWSA-N 1 0 264.325 0.902 10 0 CCAERO CC(C)n1cccc1C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000038031178 174024549 /nfs/dbraw/zinc/02/45/49/174024549.db2.gz OFPRKHCFWLLMFP-UHFFFAOYSA-N 1 0 292.383 0.573 10 0 CCAERO NS(=O)(=O)c1ccc(CNC2CC[NH2+]CC2)cc1 ZINC000038040537 174041342 /nfs/dbraw/zinc/04/13/42/174041342.db2.gz DGCNFDZBRKUXER-UHFFFAOYSA-N 1 0 269.370 0.176 10 0 CCAERO CS(=O)(=O)CCC[NH2+]C[C@H](O)COC1CCCC1 ZINC000038047877 174059037 /nfs/dbraw/zinc/05/90/37/174059037.db2.gz RQKYKSYNZSALHT-NSHDSACASA-N 1 0 279.402 0.331 10 0 CCAERO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000038050288 174061890 /nfs/dbraw/zinc/06/18/90/174061890.db2.gz RGJDFRYQANPEIM-WDEREUQCSA-N 1 0 286.401 0.585 10 0 CCAERO CC[C@@H](C)[NH2+]C1(C(N)=O)CCC2(CC1)OCCO2 ZINC000038065166 174076303 /nfs/dbraw/zinc/07/63/03/174076303.db2.gz XFPMUIOAUQRJGV-SNVBAGLBSA-N 1 0 256.346 0.916 10 0 CCAERO CCCN(CC(=O)OC)C(=O)CC1CC[NH2+]CC1 ZINC000038075861 174086186 /nfs/dbraw/zinc/08/61/86/174086186.db2.gz MRQBTVCEDOLQAB-UHFFFAOYSA-N 1 0 256.346 0.788 10 0 CCAERO [NH3+]CCc1cccc(O[C@@H]2CCS(=O)(=O)C2)c1 ZINC000038085529 174096101 /nfs/dbraw/zinc/09/61/01/174096101.db2.gz WRGNMIQLVUOSPX-GFCCVEGCSA-N 1 0 255.339 0.754 10 0 CCAERO CCS(=O)(=O)CCOc1ccc(CC(N)=[NH2+])cc1 ZINC000038085830 174096925 /nfs/dbraw/zinc/09/69/25/174096925.db2.gz ILCKGHCCARCCDE-UHFFFAOYSA-N 1 0 270.354 0.979 10 0 CCAERO CCOCCOC[C@H](O)C[NH2+]CC[C@@H]1CCCO1 ZINC000038096611 174111231 /nfs/dbraw/zinc/11/12/31/174111231.db2.gz ZCVPSYHWCRBAII-OLZOCXBDSA-N 1 0 261.362 0.559 10 0 CCAERO Cn1cncc1CCCN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000662281965 414705917 /nfs/dbraw/zinc/70/59/17/414705917.db2.gz AGLRQQXSXDCKAT-QWHCGFSZSA-N 1 0 250.346 0.025 10 0 CCAERO CC1CC(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000662749936 414760702 /nfs/dbraw/zinc/76/07/02/414760702.db2.gz IXYGQNZMXMJGML-UHFFFAOYSA-N 1 0 250.302 0.303 10 0 CCAERO O=C(c1cc2c(s1)CC[NH2+]C2)N1CCO[C@@H](CO)C1 ZINC000662505425 414724164 /nfs/dbraw/zinc/72/41/64/414724164.db2.gz UYHSGTJZONEKSS-SNVBAGLBSA-N 1 0 282.365 0.227 10 0 CCAERO COCc1csc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000662563409 414728826 /nfs/dbraw/zinc/72/88/26/414728826.db2.gz OISALXNYAXJNCR-NXEZZACHSA-N 1 0 270.354 0.205 10 0 CCAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CC[C@H]2COC[C@@H]2C1 ZINC000662710765 414745176 /nfs/dbraw/zinc/74/51/76/414745176.db2.gz JKPLAYWGXLWGIR-AVGNSLFASA-N 1 0 252.358 0.871 10 0 CCAERO [NH3+][C@H]1CCCN(CN2C(=O)c3ccccc3C2=O)C1 ZINC000041665775 174597490 /nfs/dbraw/zinc/59/74/90/174597490.db2.gz HAUDVFICTKZNSO-JTQLQIEISA-N 1 0 259.309 0.663 10 0 CCAERO C[C@H]1C[C@H](CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@@H](C)C1 ZINC000662855950 414847182 /nfs/dbraw/zinc/84/71/82/414847182.db2.gz LISMJUHAPVQNSQ-KSSYENDESA-N 1 0 254.374 0.898 10 0 CCAERO O=C(NC/C=C/CO)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000662859443 414851380 /nfs/dbraw/zinc/85/13/80/414851380.db2.gz MWKLGTDEYIECDJ-XLNBVVSQSA-N 1 0 252.236 0.049 10 0 CCAERO O=C([C@@H]1C[NH2+]CCOC1)N1CCO[C@H](CC(F)(F)F)C1 ZINC000662948734 414909417 /nfs/dbraw/zinc/90/94/17/414909417.db2.gz BEAIQKPFPZVOLM-NXEZZACHSA-N 1 0 296.289 0.402 10 0 CCAERO C[NH2+]C[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000662956229 414915031 /nfs/dbraw/zinc/91/50/31/414915031.db2.gz NRVIYHPWBZJIIL-DTWKUNHWSA-N 1 0 253.302 0.122 10 0 CCAERO C[C@H](CNC(=O)CC[C@H]1CCC[NH2+]1)S(C)(=O)=O ZINC000662973681 414928740 /nfs/dbraw/zinc/92/87/40/414928740.db2.gz UHSDCJZIUQHZRW-NXEZZACHSA-N 1 0 262.375 0.068 10 0 CCAERO CC(=O)N1CCC[C@H](C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)C1 ZINC000662977017 414929160 /nfs/dbraw/zinc/92/91/60/414929160.db2.gz ICEPNINCCROLAU-VHSXEESVSA-N 1 0 295.305 0.593 10 0 CCAERO C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662975717 414929558 /nfs/dbraw/zinc/92/95/58/414929558.db2.gz BBMMBTAHFOVYEK-JGVFFNPUSA-N 1 0 297.321 0.885 10 0 CCAERO CN(C(=O)[C@@H]1CCCCO1)[C@@H](C[NH3+])C(F)(F)F ZINC000662984369 414933182 /nfs/dbraw/zinc/93/31/82/414933182.db2.gz KRHMLQQXAQPLLL-YUMQZZPRSA-N 1 0 254.252 0.904 10 0 CCAERO Cc1nnsc1C(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662988269 414937984 /nfs/dbraw/zinc/93/79/84/414937984.db2.gz RAYRCVJGPXVZQB-RXMQYKEDSA-N 1 0 268.264 0.808 10 0 CCAERO CN1C[C@H](CNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1=O ZINC000662886312 414869462 /nfs/dbraw/zinc/86/94/62/414869462.db2.gz DHEHZPKKOUEPMU-KWQFWETISA-N 1 0 293.289 0.123 10 0 CCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCO[C@@](C)(C(F)F)C1 ZINC000663001701 414941572 /nfs/dbraw/zinc/94/15/72/414941572.db2.gz IBZSSKWJXDMPRI-KBVBSXBZSA-N 1 0 262.300 0.725 10 0 CCAERO CN1C[C@H](CNC(=O)[C@H]2[NH2+]CCCC2(C)C)CC1=O ZINC000662886372 414870390 /nfs/dbraw/zinc/87/03/90/414870390.db2.gz FRQHZGUDTROBAE-CMPLNLGQSA-N 1 0 267.373 0.359 10 0 CCAERO COCCCN(CCOC)c1ccc(C(N)=[NH2+])cn1 ZINC000042422604 174721966 /nfs/dbraw/zinc/72/19/66/174721966.db2.gz DIQJELAERYZOJQ-UHFFFAOYSA-N 1 0 266.345 0.855 10 0 CCAERO C[NH2+][C@H](C)C(=O)N1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000663006057 414946147 /nfs/dbraw/zinc/94/61/47/414946147.db2.gz SHAQEMPXHKKTHV-XLDPMVHQSA-N 1 0 250.289 0.865 10 0 CCAERO CC(C)CN(C1CC1)S(=O)(=O)CCN1CC[NH2+]CC1 ZINC000042560124 174795376 /nfs/dbraw/zinc/79/53/76/174795376.db2.gz XHRRJRBPWDXMEH-UHFFFAOYSA-N 1 0 289.445 0.342 10 0 CCAERO CCc1[nH]nc(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)c1N ZINC000071187642 176060846 /nfs/dbraw/zinc/06/08/46/176060846.db2.gz WVLRRFDBKRFPEL-SECBINFHSA-N 1 0 265.361 0.578 10 0 CCAERO CN(CCn1cc(N)ccc1=O)C[C@H]1CC[N@H+](C)C1 ZINC000071187792 176061655 /nfs/dbraw/zinc/06/16/55/176061655.db2.gz KZFORQAQFLWKAT-LBPRGKRZSA-N 1 0 264.373 0.314 10 0 CCAERO C[N@H+](C[C@H]1CC[NH+](C)C1)C[C@]1(C(=O)[O-])CCOC1 ZINC000071191534 176070838 /nfs/dbraw/zinc/07/08/38/176070838.db2.gz NCEHCBOAPNQYNE-WCQYABFASA-N 1 0 256.346 0.361 10 0 CCAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1cc(NN)ccn1 ZINC000071193211 176075631 /nfs/dbraw/zinc/07/56/31/176075631.db2.gz XYNBXYRAIOPLRB-JTQLQIEISA-N 1 0 263.345 0.391 10 0 CCAERO COCCN(CCC[NH3+])C(=O)c1ccc(C)nc1 ZINC000071222527 176087995 /nfs/dbraw/zinc/08/79/95/176087995.db2.gz KKPHXWVLDFFPHB-UHFFFAOYSA-N 1 0 251.330 0.827 10 0 CCAERO COCCN(CCC[NH3+])C(=O)c1cnn(C)c1C ZINC000071222961 176088186 /nfs/dbraw/zinc/08/81/86/176088186.db2.gz UDQMYZFKLHBDPW-UHFFFAOYSA-N 1 0 254.334 0.166 10 0 CCAERO COCC[N@H+](CCC(N)=S)CC(=O)N(C)C(C)C ZINC000071226269 176089662 /nfs/dbraw/zinc/08/96/62/176089662.db2.gz DRSSFZXQYDMZJX-UHFFFAOYSA-N 1 0 275.418 0.478 10 0 CCAERO CN(C)S(=O)(=O)c1ccccc1N(C)[C@H]1CC[NH2+]C1 ZINC000071311878 176119028 /nfs/dbraw/zinc/11/90/28/176119028.db2.gz CAMAMFPGNZDTFT-NSHDSACASA-N 1 0 283.397 0.735 10 0 CCAERO C[C@@H]1CCC[NH2+][C@H]1CNS(=O)(=O)C[C@@H]1CCCO1 ZINC000071339188 176129503 /nfs/dbraw/zinc/12/95/03/176129503.db2.gz CYDCIGFHURZHAL-WOPDTQHZSA-N 1 0 276.402 0.473 10 0 CCAERO Cc1cccnc1CNS(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000071345474 176131325 /nfs/dbraw/zinc/13/13/25/176131325.db2.gz XQCBELZEWUCRRY-NSHDSACASA-N 1 0 269.370 0.561 10 0 CCAERO C[C@@H](Sc1nnc(C[NH3+])n1C)C(=O)N1CCCCC1 ZINC000071373741 176139272 /nfs/dbraw/zinc/13/92/72/176139272.db2.gz UHJZLEKZUAZLJJ-SECBINFHSA-N 1 0 283.401 0.767 10 0 CCAERO CCn1c(C[NH3+])nnc1SCc1noc(C)n1 ZINC000071374678 176139781 /nfs/dbraw/zinc/13/97/81/176139781.db2.gz DYEFEZRPJQRDSV-UHFFFAOYSA-N 1 0 254.319 0.740 10 0 CCAERO CCN1CCC([N@H+](C)CCn2ccc(N)n2)CC1 ZINC000071378155 176142766 /nfs/dbraw/zinc/14/27/66/176142766.db2.gz KVIBMKHTWMBWQP-UHFFFAOYSA-N 1 0 251.378 0.881 10 0 CCAERO CCC[C@H](CC[NH3+])C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000076675153 177055577 /nfs/dbraw/zinc/05/55/77/177055577.db2.gz QZYLMDUBKNFKAW-NXEZZACHSA-N 1 0 262.375 0.055 10 0 CCAERO C[C@@H](CCC[NH3+])C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000076675231 177055717 /nfs/dbraw/zinc/05/57/17/177055717.db2.gz XULAMXUZPFGNHK-UWVGGRQHSA-N 1 0 262.375 0.007 10 0 CCAERO O=[S@@]1CCN(Cc2ccccc2)[C@]2(CC[NH2+]C2)C1 ZINC000076699201 177061695 /nfs/dbraw/zinc/06/16/95/177061695.db2.gz SWJPAODNFGTTEO-KSSFIOAISA-N 1 0 264.394 0.983 10 0 CCAERO O=C(NC[C@H]1OC[C@@H]([NH2+]CC2CC2)[C@@H]1O)c1cccs1 ZINC000077264200 177246574 /nfs/dbraw/zinc/24/65/74/177246574.db2.gz GYYZIHPKXDXXFR-WZRBSPASSA-N 1 0 296.392 0.606 10 0 CCAERO C[NH2+][C@H](C)c1cccnc1-n1cc(S(C)(=O)=O)cn1 ZINC000725242041 545873843 /nfs/dbraw/zinc/87/38/43/545873843.db2.gz BIQTWPCULRIKID-SECBINFHSA-N 1 0 280.353 0.951 10 0 CCAERO CC[NH2+][C@H]1CCOC[C@@H]1n1cc(S(C)(=O)=O)cn1 ZINC000725251664 545876977 /nfs/dbraw/zinc/87/69/77/545876977.db2.gz DCEVUPDBEYIDRS-QWRGUYRKSA-N 1 0 273.358 0.226 10 0 CCAERO C[C@H]([NH3+])[C@H](n1cc(S(C)(=O)=O)cn1)C(F)(F)F ZINC000725251702 545877091 /nfs/dbraw/zinc/87/70/91/545877091.db2.gz FIQCJEZPDFCXBO-FSPLSTOPSA-N 1 0 271.264 0.737 10 0 CCAERO CS(=O)(=O)c1cnn([C@H]2C[NH2+]Cc3ccccc32)c1 ZINC000725253485 545878105 /nfs/dbraw/zinc/87/81/05/545878105.db2.gz WIEYHKJUDXEKMO-ZDUSSCGKSA-N 1 0 277.349 0.979 10 0 CCAERO CC[NH2+][C@@H](Cn1cc(S(C)(=O)=O)cn1)[C@@H]1CCOC1 ZINC000725252929 545878200 /nfs/dbraw/zinc/87/82/00/545878200.db2.gz PNNUGQRBDYKGIQ-PWSUYJOCSA-N 1 0 287.385 0.301 10 0 CCAERO C[NH2+][C@H](Cn1cc(S(C)(=O)=O)cn1)C(C)(C)C ZINC000725253269 545878795 /nfs/dbraw/zinc/87/87/95/545878795.db2.gz SPLJYWCPKACPHZ-SNVBAGLBSA-N 1 0 259.375 0.921 10 0 CCAERO CCC[NH+]1CCC2(CC1)C(=O)CS(=O)(=O)N2C ZINC000725256287 545879642 /nfs/dbraw/zinc/87/96/42/545879642.db2.gz BBXPIFZXCJWHRR-UHFFFAOYSA-N 1 0 260.359 0.075 10 0 CCAERO COCC(=O)N[C@H]1CC[NH2+]CC[C@H]1C(F)(F)F ZINC000725262663 545881549 /nfs/dbraw/zinc/88/15/49/545881549.db2.gz JULTZVMMJYODCD-SFYZADRCSA-N 1 0 254.252 0.680 10 0 CCAERO COCC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])CC1 ZINC000725262871 545883589 /nfs/dbraw/zinc/88/35/89/545883589.db2.gz PZAQQPUIQWBHSZ-SFYZADRCSA-N 1 0 254.252 0.761 10 0 CCAERO Nc1nc(C(=O)Nc2ccnn2C2C[NH2+]C2)cs1 ZINC000725258571 545882418 /nfs/dbraw/zinc/88/24/18/545882418.db2.gz SXJSJIAAVYRJON-UHFFFAOYSA-N 1 0 264.314 0.318 10 0 CCAERO C[N@@H+]1CCc2nnc(N3CCC[C@@H](CO)C3)cc2C1 ZINC000725264874 545884488 /nfs/dbraw/zinc/88/44/88/545884488.db2.gz PBSAQXWVXLGBQB-LLVKDONJSA-N 1 0 262.357 0.673 10 0 CCAERO C[C@@H]1CCC[C@@H]1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000334421185 287415022 /nfs/dbraw/zinc/41/50/22/287415022.db2.gz QYVFBZSDRCLTJM-NEPJUHHUSA-N 1 0 254.374 0.996 10 0 CCAERO CCCCNC(=O)N[C@@H]1CCOC12CC[NH2+]CC2 ZINC000725269262 545886158 /nfs/dbraw/zinc/88/61/58/545886158.db2.gz IKXZVEVGQXHBDU-LLVKDONJSA-N 1 0 255.362 0.997 10 0 CCAERO CC(C)NC(=O)N1CCC2(CC1)C[NH2+]C[C@H](C)O2 ZINC000725272663 545888007 /nfs/dbraw/zinc/88/80/07/545888007.db2.gz SRTMAKIISJHKOA-NSHDSACASA-N 1 0 255.362 0.947 10 0 CCAERO Cc1cc(C(=O)N2CCO[C@H]3C[NH2+]C[C@H]32)c(C)o1 ZINC000367187858 227241160 /nfs/dbraw/zinc/24/11/60/227241160.db2.gz SOQOUBIVAMAUEV-NEPJUHHUSA-N 1 0 250.298 0.709 10 0 CCAERO C[C@@H]1CN(C(=O)Cn2cc(C(C)(C)[NH3+])nn2)C[C@H](C)O1 ZINC000078470743 544468669 /nfs/dbraw/zinc/46/86/69/544468669.db2.gz FUGDBBZQLAZBKM-AOOOYVTPSA-N 1 0 281.360 0.108 10 0 CCAERO CC(C)(CNC(=O)[C@H]1CCC[C@H]1C[NH3+])S(C)(=O)=O ZINC000093526117 544542225 /nfs/dbraw/zinc/54/22/25/544542225.db2.gz GPXDRYAHPHTJRC-UWVGGRQHSA-N 1 0 276.402 0.301 10 0 CCAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N(CC(N)=O)C1CCCC1 ZINC000094647736 544546162 /nfs/dbraw/zinc/54/61/62/544546162.db2.gz CKZCYKJRNHAYAZ-ZYHUDNBSSA-N 1 0 267.373 0.631 10 0 CCAERO CN(Cc1cnn(C)c1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089455444 544512843 /nfs/dbraw/zinc/51/28/43/544512843.db2.gz PAAIJWKOZJLUQO-NEPJUHHUSA-N 1 0 250.346 0.754 10 0 CCAERO CN(CC(=O)NC1CC1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089450845 544513018 /nfs/dbraw/zinc/51/30/18/544513018.db2.gz PFEKEKBEMHNSOK-ONGXEEELSA-N 1 0 253.346 0.098 10 0 CCAERO CCN(CC)C(=O)CN(C)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089457272 544514085 /nfs/dbraw/zinc/51/40/85/544514085.db2.gz YOJYWRDVAYGWCX-NWDGAFQWSA-N 1 0 269.389 0.688 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NC(=O)NC1CC1 ZINC000113271140 544564890 /nfs/dbraw/zinc/56/48/90/544564890.db2.gz WRVQRRHKWWATRN-CMPLNLGQSA-N 1 0 280.372 0.143 10 0 CCAERO O=C(COC1CC[NH2+]CC1)N[C@@H]1CCC[C@@H](O)C1 ZINC000111757674 544562527 /nfs/dbraw/zinc/56/25/27/544562527.db2.gz AXHCSIBPCKQWGV-GHMZBOCLSA-N 1 0 256.346 0.175 10 0 CCAERO CCCOc1nccnc1NC[C@@H]1C[NH2+]C[C@H]1O ZINC000630513044 419461875 /nfs/dbraw/zinc/46/18/75/419461875.db2.gz OIWTUXVOZDVWKX-VHSXEESVSA-N 1 0 252.318 0.258 10 0 CCAERO C[C@@H](O)C[N@@H+]1CCN(Cc2cncnc2)C[C@@H]1C ZINC000120569359 544573175 /nfs/dbraw/zinc/57/31/75/544573175.db2.gz RQJQOEAVDJNDFY-NWDGAFQWSA-N 1 0 250.346 0.364 10 0 CCAERO CCn1nccc1C[NH2+]C[C@H]1CN(CC)CCO1 ZINC000125327908 544591119 /nfs/dbraw/zinc/59/11/19/544591119.db2.gz IRGMHNCPSSVOBT-ZDUSSCGKSA-N 1 0 252.362 0.713 10 0 CCAERO O=C(CC[C@@H]1CC[NH2+]C1)N1CC[C@H](N2CCOCC2)C1 ZINC000134562806 544631002 /nfs/dbraw/zinc/63/10/02/544631002.db2.gz JPGOYBVGELBIDM-KGLIPLIRSA-N 1 0 281.400 0.309 10 0 CCAERO O=C(CC[C@H]1CC[NH2+]C1)N1CC[C@H](N2CCOCC2)C1 ZINC000134562827 544631217 /nfs/dbraw/zinc/63/12/17/544631217.db2.gz JPGOYBVGELBIDM-KBPBESRZSA-N 1 0 281.400 0.309 10 0 CCAERO C[C@@]1(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)CCCC[NH2+]1 ZINC000136194735 544637581 /nfs/dbraw/zinc/63/75/81/544637581.db2.gz UYXJCLUFPLUIBO-HOCLYGCPSA-N 1 0 295.427 0.842 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)Nc1ccc(CS(N)(=O)=O)cc1 ZINC000136354837 544638436 /nfs/dbraw/zinc/63/84/36/544638436.db2.gz KFNPEGUAYRSRJG-GFCCVEGCSA-N 1 0 299.396 0.787 10 0 CCAERO Cn1ncc(N2CCC(CC[NH3+])CC2)c(Cl)c1=O ZINC000159531261 544694737 /nfs/dbraw/zinc/69/47/37/544694737.db2.gz ZCQQGOLTYRKVTL-UHFFFAOYSA-N 1 0 270.764 0.999 10 0 CCAERO CCCn1nccc1C[NH2+]C[C@H]1CN(C)CCO1 ZINC000160173092 544695321 /nfs/dbraw/zinc/69/53/21/544695321.db2.gz KMYSKNPBLWQLMP-ZDUSSCGKSA-N 1 0 252.362 0.713 10 0 CCAERO CC(C)OCCNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000160369237 544700074 /nfs/dbraw/zinc/70/00/74/544700074.db2.gz FKDBWFNADPICOQ-UHFFFAOYSA-N 1 0 257.378 0.211 10 0 CCAERO [NH3+]C1(C(=O)N2CCO[C@H](Cn3cccn3)C2)CCCC1 ZINC000178780741 544747696 /nfs/dbraw/zinc/74/76/96/544747696.db2.gz YADWXZHWLMQNPD-LBPRGKRZSA-N 1 0 278.356 0.382 10 0 CCAERO CNC(=O)[C@H]([NH2+]CC(=O)N(C)CC1CC1)C(C)C ZINC000183638242 544768441 /nfs/dbraw/zinc/76/84/41/544768441.db2.gz FUJIMXIDYGMXBO-GFCCVEGCSA-N 1 0 255.362 0.215 10 0 CCAERO CN1CCN(C)[C@@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000224433484 544825523 /nfs/dbraw/zinc/82/55/23/544825523.db2.gz MMHAHLPCWZJRJE-FQUUOJAGSA-N 1 0 267.417 0.635 10 0 CCAERO CCCCOC[C@@H](O)C[NH2+]CC(C)(C)S(C)(=O)=O ZINC000227894274 544838825 /nfs/dbraw/zinc/83/88/25/544838825.db2.gz XTYNEXYFBZAVFM-NSHDSACASA-N 1 0 281.418 0.577 10 0 CCAERO Cc1cnc([C@H](C)NC(=O)C[C@H]2C[NH2+]CCO2)o1 ZINC000231743167 544860545 /nfs/dbraw/zinc/86/05/45/544860545.db2.gz XUXNIZLXDPZNSV-UWVGGRQHSA-N 1 0 253.302 0.539 10 0 CCAERO FC(F)(F)c1ccc(NC[C@@H]2COCC[NH2+]2)nn1 ZINC000236153947 544879039 /nfs/dbraw/zinc/87/90/39/544879039.db2.gz KWXKWRWUAYULJZ-SSDOTTSWSA-N 1 0 262.235 0.896 10 0 CCAERO O=S(=O)(CC[C@H]1CCCO1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245991030 544906870 /nfs/dbraw/zinc/90/68/70/544906870.db2.gz GJFQVIHLYMKFRT-QWHCGFSZSA-N 1 0 288.413 0.665 10 0 CCAERO CC(C)c1nsc(N2CCN(C)C[C@H]2C[NH3+])n1 ZINC000250475510 544923242 /nfs/dbraw/zinc/92/32/42/544923242.db2.gz XDIVHHPJBKVEQY-SECBINFHSA-N 1 0 255.391 0.741 10 0 CCAERO CCN1CCO[C@H](C[NH2+][C@H](C)c2cnn(C)c2)C1 ZINC000252763290 544931790 /nfs/dbraw/zinc/93/17/90/544931790.db2.gz ZXMBGBUPHNSCRA-DGCLKSJQSA-N 1 0 252.362 0.791 10 0 CCAERO CC1(C)CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCS1(=O)=O ZINC000261759057 544936742 /nfs/dbraw/zinc/93/67/42/544936742.db2.gz NHYGVWOGOYZQJP-GHMZBOCLSA-N 1 0 288.413 0.397 10 0 CCAERO CCOc1ccccc1CCC(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262063877 544937477 /nfs/dbraw/zinc/93/74/77/544937477.db2.gz BBTTWPYGMKDCBH-ZIAGYGMSSA-N 1 0 292.379 0.714 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc(-n2ccnc2)cc1 ZINC000262068430 544937611 /nfs/dbraw/zinc/93/76/11/544937611.db2.gz BKPIADHUKAPMDX-GXTWGEPZSA-N 1 0 286.335 0.182 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc2c(c1)COC2 ZINC000262063987 544938216 /nfs/dbraw/zinc/93/82/16/544938216.db2.gz BCEOVABZYGBPQC-QWHCGFSZSA-N 1 0 262.309 0.027 10 0 CCAERO CCc1ccccc1OCC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262098076 544938734 /nfs/dbraw/zinc/93/87/34/544938734.db2.gz DNKLGNLLTAWJHN-STQMWFEESA-N 1 0 278.352 0.324 10 0 CCAERO CCc1noc(CC)c1CC(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262075258 544938974 /nfs/dbraw/zinc/93/89/74/544938974.db2.gz BYAMBFWJYIGDKR-SKDRFNHKSA-N 1 0 281.356 0.038 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cccc2c1CCCN2 ZINC000262091028 544939867 /nfs/dbraw/zinc/93/98/67/544939867.db2.gz CZOYJPPVHHOION-YGRLFVJLSA-N 1 0 275.352 0.355 10 0 CCAERO Cc1ccccc1SCC(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262111354 544940698 /nfs/dbraw/zinc/94/06/98/544940698.db2.gz FKQJNTGUGHRDFL-NEPJUHHUSA-N 1 0 280.393 0.784 10 0 CCAERO COc1ccc(CCC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1F ZINC000262152183 544941752 /nfs/dbraw/zinc/94/17/52/544941752.db2.gz HUENBUFWWFDHJA-YPMHNXCESA-N 1 0 296.342 0.463 10 0 CCAERO Cc1ccc(C(C)(C)C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262133112 544942442 /nfs/dbraw/zinc/94/24/42/544942442.db2.gz GQESURVCNAGZKX-OCCSQVGLSA-N 1 0 276.380 0.969 10 0 CCAERO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)Cc2cc[nH]n2)C1 ZINC000286217240 544965009 /nfs/dbraw/zinc/96/50/09/544965009.db2.gz CJRWEFJJLOMKFP-KBPBESRZSA-N 1 0 292.383 0.664 10 0 CCAERO COC[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCCO1 ZINC000333748842 545042687 /nfs/dbraw/zinc/04/26/87/545042687.db2.gz JSBWGWZWBLPLNF-YIYPIFLZSA-N 1 0 297.399 0.431 10 0 CCAERO COc1cc(NC(=O)[C@H]2C[C@@H](OC)C[NH2+]2)ccn1 ZINC000310761593 545011439 /nfs/dbraw/zinc/01/14/39/545011439.db2.gz PKSMAIJIKDNPHX-NXEZZACHSA-N 1 0 251.286 0.406 10 0 CCAERO O=C([C@@H]1C[C@H]2C[C@H]2C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000311348160 545012595 /nfs/dbraw/zinc/01/25/95/545012595.db2.gz KXKLSWWQZJSPRO-XJFOESAGSA-N 1 0 263.385 0.539 10 0 CCAERO CC(C)(O)CN1CC[NH+](C[C@H]2CCC[C@H](O)C2)CC1 ZINC000311647968 545012916 /nfs/dbraw/zinc/01/29/16/545012916.db2.gz LZMWMTYUJVVJES-KBPBESRZSA-N 1 0 270.417 0.926 10 0 CCAERO CC(C)(O)CN1CC[NH+](C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000311647971 545013102 /nfs/dbraw/zinc/01/31/02/545013102.db2.gz LZMWMTYUJVVJES-KGLIPLIRSA-N 1 0 270.417 0.926 10 0 CCAERO COC[C@H](C)OC[C@@H](O)C[NH2+]C[C@H](O)C(C)(C)C ZINC000324488412 545016843 /nfs/dbraw/zinc/01/68/43/545016843.db2.gz KWTVKQLEOKOSOU-SRVKXCTJSA-N 1 0 263.378 0.395 10 0 CCAERO CS(=O)(=O)C[C@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000328362699 545017435 /nfs/dbraw/zinc/01/74/35/545017435.db2.gz FUOMRCFQTYODBD-QJPTWQEYSA-N 1 0 261.387 0.656 10 0 CCAERO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000329023690 545020789 /nfs/dbraw/zinc/02/07/89/545020789.db2.gz MYXXARAGDWJWIW-RISCZKNCSA-N 1 0 291.399 0.708 10 0 CCAERO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@@H]2CCCNC2=O)C1 ZINC000332927539 545036485 /nfs/dbraw/zinc/03/64/85/545036485.db2.gz VKACVYXREKZKND-QWHCGFSZSA-N 1 0 296.415 0.542 10 0 CCAERO C[C@H]1OCC[C@@H]1NC(=O)NCC1(C)CC[NH2+]CC1 ZINC000333547946 545040189 /nfs/dbraw/zinc/04/01/89/545040189.db2.gz JZCJQKYVZNFWOD-MNOVXSKESA-N 1 0 255.362 0.853 10 0 CCAERO C[C@@H]1OCC[C@@H]1NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333615308 545040842 /nfs/dbraw/zinc/04/08/42/545040842.db2.gz RAJYBYPVEXMJNT-SGMGOOAPSA-N 1 0 267.373 0.949 10 0 CCAERO C[C@@]12C[N@H+](Cc3nc(N)nc(N)n3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333739841 545042310 /nfs/dbraw/zinc/04/23/10/545042310.db2.gz VOPMBHWSJFFIBV-YCWTYVPXSA-N 1 0 274.372 0.565 10 0 CCAERO CCC[C@@H](C(=O)N[C@H](C)CN1CCCC1=O)[NH+](C)C ZINC000179564309 260055575 /nfs/dbraw/zinc/05/55/75/260055575.db2.gz RWHGMSOWRVYXIL-NEPJUHHUSA-N 1 0 269.389 0.844 10 0 CCAERO C[NH+](C)C[C@H]1CN(C(=O)COC(C)(C)C)CCO1 ZINC000181938000 261768258 /nfs/dbraw/zinc/76/82/58/261768258.db2.gz PYBUULSQESLCHV-NSHDSACASA-N 1 0 258.362 0.591 10 0 CCAERO NC(=O)c1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000195190767 265351555 /nfs/dbraw/zinc/35/15/55/265351555.db2.gz GBVHMPUNJAVUCJ-SECBINFHSA-N 1 0 279.365 0.767 10 0 CCAERO CC(C)[C@@](C)(O)C[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000187368439 276009135 /nfs/dbraw/zinc/00/91/35/276009135.db2.gz ANFRUCYFPOAGBB-ZDUSSCGKSA-N 1 0 283.372 0.410 10 0 CCAERO CC(C)[C@@](C)(O)C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000186523233 276009671 /nfs/dbraw/zinc/00/96/71/276009671.db2.gz QIUVETJOCOBEGC-HOCLYGCPSA-N 1 0 298.427 0.964 10 0 CCAERO CC(C)[C@H](C(=O)N1CCn2ccnc2C1)[C@H](C)[NH3+] ZINC000335603447 276012057 /nfs/dbraw/zinc/01/20/57/276012057.db2.gz JCUNGOFKCBCZGK-JQWIXIFHSA-N 1 0 250.346 0.845 10 0 CCAERO CCN1CCN(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1=O ZINC000334967179 276380362 /nfs/dbraw/zinc/38/03/62/276380362.db2.gz KVNBPLAARNEDKX-BXUZGUMPSA-N 1 0 282.388 0.187 10 0 CCAERO C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC(F)(F)CN2)C1 ZINC000335368507 276795925 /nfs/dbraw/zinc/79/59/25/276795925.db2.gz MIQBDGNLGALZNT-UWVGGRQHSA-N 1 0 261.316 0.394 10 0 CCAERO C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)C[C@@H]1[NH3+] 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CCC[NH2+][C@H](CCOC[C@@H]1CCCCO1)C(N)=O ZINC000062544693 520075993 /nfs/dbraw/zinc/07/59/93/520075993.db2.gz ZQSLZGNJALGIGP-NWDGAFQWSA-N 1 0 258.362 0.816 10 0 CCAERO CCCCNC(=O)C[NH2+][C@@H](C)CN1CCOCC1 ZINC000049504414 520619869 /nfs/dbraw/zinc/61/98/69/520619869.db2.gz KJIOZHWEONRUKR-LBPRGKRZSA-N 1 0 257.378 0.213 10 0 CCAERO CCOC(=O)[C@](C)(N)CCN1CCC[C@@H]1C[NH+](C)C ZINC000061653015 521326652 /nfs/dbraw/zinc/32/66/52/521326652.db2.gz QJDWSEVCILLXIB-TZMCWYRMSA-N 1 0 271.405 0.683 10 0 CCAERO CCC(CC)N(C)S(=O)(=O)CCN1CC[NH2+]CC1 ZINC000049643726 521542427 /nfs/dbraw/zinc/54/24/27/521542427.db2.gz SPLSFLXFLHTFAS-UHFFFAOYSA-N 1 0 277.434 0.342 10 0 CCAERO CCCN(CC[NH+](C)C)C(=O)c1cc(NN)ccn1 ZINC000051117360 521655333 /nfs/dbraw/zinc/65/53/33/521655333.db2.gz ZOOXRBMKVPHLCW-UHFFFAOYSA-N 1 0 265.361 0.781 10 0 CCAERO C[C@H]1CN(C(=O)CCNC(=O)c2ccsc2)C[C@@H]1[NH3+] ZINC000423952016 533827254 /nfs/dbraw/zinc/82/72/54/533827254.db2.gz MLNORJSXJMXOFW-ONGXEEELSA-N 1 0 281.381 0.674 10 0 CCAERO CN[C@@H](CC[N@H+](CCOC)[C@@H](C)C1CC1)C(=O)OC ZINC000062463441 522341656 /nfs/dbraw/zinc/34/16/56/522341656.db2.gz XTNUNGKTMCUTQS-AAEUAGOBSA-N 1 0 272.389 0.884 10 0 CCAERO CC(C)[N@H+]1C[C@H](NC(=O)NCc2ccnn2C)[C@@H](C)C1 ZINC000157115493 519696877 /nfs/dbraw/zinc/69/68/77/519696877.db2.gz SCKWJFGGYBCYFZ-AAEUAGOBSA-N 1 0 279.388 0.948 10 0 CCAERO CC(C)NC(=O)CN(C)C(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050946091 519704554 /nfs/dbraw/zinc/70/45/54/519704554.db2.gz LEPFUKBCXHIMRC-LBPRGKRZSA-N 1 0 269.389 0.892 10 0 CCAERO CC(C)NC(=O)[C@H](C)[NH2+][C@H](C)CN1CCOCC1 ZINC000049504998 519715194 /nfs/dbraw/zinc/71/51/94/519715194.db2.gz UTYQKLCHLOSNFR-NEPJUHHUSA-N 1 0 257.378 0.210 10 0 CCAERO CC(C)[NH2+]CCCCCN1CCS(=O)(=O)CC1 ZINC000052480352 519720625 /nfs/dbraw/zinc/72/06/25/519720625.db2.gz WGEZIQIAEQIHTD-UHFFFAOYSA-N 1 0 262.419 0.885 10 0 CCAERO CC(C)[NH2+]C[C@@H]1CCCCN1CCS(C)(=O)=O ZINC000053651845 519723185 /nfs/dbraw/zinc/72/31/85/519723185.db2.gz YXEKTFKWPYWZRO-LBPRGKRZSA-N 1 0 262.419 0.884 10 0 CCAERO CC(C)[C@H]1CN(C(=O)C(F)(F)F)[C@H](CO)C[NH2+]1 ZINC000062625271 519825977 /nfs/dbraw/zinc/82/59/77/519825977.db2.gz BIGXUNMPYPVJIU-JGVFFNPUSA-N 1 0 254.252 0.366 10 0 CCAERO CCCNC(=O)[C@H](C)NC(=O)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000049225372 519891761 /nfs/dbraw/zinc/89/17/61/519891761.db2.gz WMDKKKIXVYRNER-GARJFASQSA-N 1 0 255.362 0.405 10 0 CCAERO CC[NH2+]C(C)(C)C(=O)N1CCCC[C@H]1C(=O)OC ZINC000061294597 519903836 /nfs/dbraw/zinc/90/38/36/519903836.db2.gz FGIGECPVPYYLLA-JTQLQIEISA-N 1 0 256.346 0.929 10 0 CCAERO CC[NH2+]CCC(=O)N1CCN(c2cnccn2)CC1 ZINC000061295984 519916291 /nfs/dbraw/zinc/91/62/91/519916291.db2.gz JQCLLLOUFHEMLK-UHFFFAOYSA-N 1 0 263.345 0.125 10 0 CCAERO CC[NH2+]CCS(=O)(=O)Nc1ccc(OC)nc1 ZINC000049631774 519926338 /nfs/dbraw/zinc/92/63/38/519926338.db2.gz HYHLXTAOIVRWIC-UHFFFAOYSA-N 1 0 259.331 0.441 10 0 CCAERO CC[NH2+]C[C@H](C)C(=O)N1CCC(CC(N)=O)CC1 ZINC000061237358 519960896 /nfs/dbraw/zinc/96/08/96/519960896.db2.gz BLSDXKQNEMQVGR-JTQLQIEISA-N 1 0 255.362 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XGQAFISHYAZITO-SNVBAGLBSA-N 1 0 274.324 0.977 10 0 CCAERO O=C(NC[C@H](O)C(F)(F)F)[C@@H]1[NH2+]CCc2ccccc21 ZINC000226321402 636977009 /nfs/dbraw/zinc/97/70/09/636977009.db2.gz MBUGQVJFFNPWMB-WDEREUQCSA-N 1 0 288.269 0.913 10 0 CCAERO CCOC(=O)C[C@@H]1C[NH2+]C[C@@H](CC(=O)OCC)N1C ZINC000199453799 637023969 /nfs/dbraw/zinc/02/39/69/637023969.db2.gz IDEHAOKTJOPFQS-GHMZBOCLSA-N 1 0 272.345 0.165 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NC[C@@H](O)C(F)(F)F ZINC000227424284 637025035 /nfs/dbraw/zinc/02/50/35/637025035.db2.gz SDTJOJWAEABASZ-BIIVOSGPSA-N 1 0 254.252 0.401 10 0 CCAERO COC(=O)[C@@H]1C[N@H+](CCN2CCOCC2)C[C@@H]1C ZINC000227749575 637034758 /nfs/dbraw/zinc/03/47/58/637034758.db2.gz JMBZARYOFCZREX-NWDGAFQWSA-N 1 0 256.346 0.060 10 0 CCAERO CSC1(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2O)CCC1 ZINC000227935441 637041585 /nfs/dbraw/zinc/04/15/85/637041585.db2.gz IGZWWYFRCAIGRH-RKDXNWHRSA-N 1 0 265.400 0.020 10 0 CCAERO O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000172504316 637177241 /nfs/dbraw/zinc/17/72/41/637177241.db2.gz SDZMDNMAIMDPAA-MELADBBJSA-N 1 0 289.379 0.675 10 0 CCAERO C[C@H](O)[C@@H](O)C[NH+]1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000929544878 637318466 /nfs/dbraw/zinc/31/84/66/637318466.db2.gz WSQUHYSRRZOBEW-BPUTZDHNSA-N 1 0 294.395 0.079 10 0 CCAERO C[C@@H](NC(=O)N1CC[C@H]([NH+](C)C)C1)c1nnnn1C1CC1 ZINC000188867411 638206989 /nfs/dbraw/zinc/20/69/89/638206989.db2.gz BQPXLZLZPBRUOE-KOLCDFICSA-N 1 0 293.375 0.415 10 0 CCAERO CCOC(C[N@@H+]1CCC[C@H](NC(C)=O)C1)OCC ZINC000184949117 638732906 /nfs/dbraw/zinc/73/29/06/638732906.db2.gz OIWPPORGXWAJHS-LBPRGKRZSA-N 1 0 258.362 0.986 10 0 CCAERO Cn1nccc1CCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000185018168 638740482 /nfs/dbraw/zinc/74/04/82/638740482.db2.gz FDZHRWRBEARGFY-CYBMUJFWSA-N 1 0 277.372 0.452 10 0 CCAERO O=C(c1cnn2c1CCCC2)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000077438665 638872052 /nfs/dbraw/zinc/87/20/52/638872052.db2.gz GRWSYJACHNUNHZ-GXFFZTMASA-N 1 0 260.341 0.653 10 0 CCAERO CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000085368694 639041102 /nfs/dbraw/zinc/04/11/02/639041102.db2.gz BTEWMGLJMVABEJ-UPJWGTAASA-N 1 0 267.373 0.631 10 0 CCAERO NC(=O)COc1ccc(C[NH2+][C@H]2CCCOC2)cc1 ZINC000103965346 642787605 /nfs/dbraw/zinc/78/76/05/642787605.db2.gz IKKZMWSWRCWVAE-LBPRGKRZSA-N 1 0 264.325 0.819 10 0 CCAERO Cc1nn(C)c(C)c1CN(C)C[C@@H]1C[NH2+]CCO1 ZINC000125446924 646536306 /nfs/dbraw/zinc/53/63/06/646536306.db2.gz VDWDIWVPEPAEGQ-LBPRGKRZSA-N 1 0 252.362 0.457 10 0 CCAERO C[C@H]1CC[C@]([NH3+])(CC(N)=O)CN1C(=O)OC(C)(C)C ZINC000211722422 647329932 /nfs/dbraw/zinc/32/99/32/647329932.db2.gz SOMWTRBDMPXEEM-ZANVPECISA-N 1 0 271.361 0.979 10 0 CCAERO C[C@H]1C[C@]([NH3+])(CC(N)=O)CCN1C(=O)OC(C)(C)C ZINC000211722088 647330110 /nfs/dbraw/zinc/33/01/10/647330110.db2.gz ZDRVHKLUBZKZHY-ZANVPECISA-N 1 0 271.361 0.979 10 0 CCAERO Cc1noc(C[C@]2(O)CCC[N@H+](CCn3ccnc3)C2)n1 ZINC000886079615 647897391 /nfs/dbraw/zinc/89/73/91/647897391.db2.gz GQZZDYDKKFBQPT-CQSZACIVSA-N 1 0 291.355 0.644 10 0 CCAERO COCC[C@@H](C)[NH2+]C[C@@H]1OCCN(C)[C@H]1c1ccnn1C ZINC000886095111 647900079 /nfs/dbraw/zinc/90/00/79/647900079.db2.gz LQZOHNHHLCWPCQ-SNPRPXQTSA-N 1 0 296.415 0.806 10 0 CCAERO O=S1(=O)C[C@@H](O)[C@H]([NH2+]CCc2ccc(Cl)cc2)C1 ZINC000042210234 649287287 /nfs/dbraw/zinc/28/72/87/649287287.db2.gz WRCGQTCENUHYPU-VXGBXAGGSA-N 1 0 289.784 0.630 10 0 CCAERO COC(=O)NCCCC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000193552616 649543676 /nfs/dbraw/zinc/54/36/76/649543676.db2.gz HATLPDAWKOJSCJ-VHSXEESVSA-N 1 0 257.334 0.379 10 0 CCAERO COC(=O)NC(C)(C)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000193624612 649550575 /nfs/dbraw/zinc/55/05/75/649550575.db2.gz GXFUBECZIRJOCV-DTWKUNHWSA-N 1 0 257.334 0.378 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)N1CCO[C@@H](C)C1 ZINC000245443010 649643018 /nfs/dbraw/zinc/64/30/18/649643018.db2.gz WTVDOWZSEKHDQU-RRFJBIMHSA-N 1 0 295.427 0.792 10 0 CCAERO CN(CC(=O)NC1CC1)C(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089388183 649654260 /nfs/dbraw/zinc/65/42/60/649654260.db2.gz UEOHLCKHFSJAFH-PWSUYJOCSA-N 1 0 267.373 0.489 10 0 CCAERO CC(C)NC(=O)CN(C)C(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089390970 649655859 /nfs/dbraw/zinc/65/58/59/649655859.db2.gz MTVLIDSQRXIKIM-VXGBXAGGSA-N 1 0 269.389 0.735 10 0 CCAERO CC(=O)N1CCCN(C(=O)[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000089396815 649656640 /nfs/dbraw/zinc/65/66/40/649656640.db2.gz AZOCXKRYQJGZOY-KBPBESRZSA-N 1 0 281.400 0.832 10 0 CCAERO CCOCC[N@@H+]1CCN(CC[C@H]2CCOC2=O)C[C@H]1C ZINC000246964631 649695918 /nfs/dbraw/zinc/69/59/18/649695918.db2.gz OUKBWBFMWJFSQJ-KGLIPLIRSA-N 1 0 284.400 0.982 10 0 CCAERO Cn1cnn(CN2CC[N@@H+]3CCC[C@H]3C2)c1=S ZINC000247099620 649702306 /nfs/dbraw/zinc/70/23/06/649702306.db2.gz OHCYMUPSXNIIGD-JTQLQIEISA-N 1 0 253.375 0.689 10 0 CCAERO COC(=O)c1cncc(N2CCCC[C@H]2C[NH3+])n1 ZINC000091418339 649704260 /nfs/dbraw/zinc/70/42/60/649704260.db2.gz IPGJCCIFBOPSLC-VIFPVBQESA-N 1 0 250.302 0.581 10 0 CCAERO [NH3+]C1CC(CNC(=O)[C@H]2COc3ccccc3O2)C1 ZINC000091524613 649705633 /nfs/dbraw/zinc/70/56/33/649705633.db2.gz CACOFAFUURFZSS-SRHKJQAYSA-N 1 0 262.309 0.680 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NC(=O)NOC[C@H]2CCOC2)C1 ZINC000248781500 649737438 /nfs/dbraw/zinc/73/74/38/649737438.db2.gz QHAQQNDKSVWKGI-NWDGAFQWSA-N 1 0 271.361 0.738 10 0 CCAERO C[C@@H](C(=O)NC[C@@H](O)c1ccc(F)cc1)[C@H](C)[NH3+] ZINC000248980618 649739418 /nfs/dbraw/zinc/73/94/18/649739418.db2.gz FMFXDAAFZZJYDX-VDDIYKPWSA-N 1 0 254.305 0.959 10 0 CCAERO CC(C)([NH3+])CCc1nc([C@H]2CN3CCN2CC3)no1 ZINC000094506331 649743745 /nfs/dbraw/zinc/74/37/45/649743745.db2.gz IHXLVEDFTIAMGV-SNVBAGLBSA-N 1 0 265.361 0.412 10 0 CCAERO C(c1nc([C@@H]2CN3CCN2CC3)no1)[C@@H]1CCC[NH2+]C1 ZINC000094506521 649743864 /nfs/dbraw/zinc/74/38/64/649743864.db2.gz ZZSPOXJAZDGCMC-RYUDHWBXSA-N 1 0 277.372 0.284 10 0 CCAERO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000097093247 649830310 /nfs/dbraw/zinc/83/03/10/649830310.db2.gz KZEDZICIBMDFMY-HTQZYQBOSA-N 1 0 260.297 0.922 10 0 CCAERO [NH3+][C@@H]1CC[C@H](C(=O)NCCCCn2ccnc2)C1 ZINC000091547683 349467757 /nfs/dbraw/zinc/46/77/57/349467757.db2.gz LIKCEPZPGKXSOD-NWDGAFQWSA-N 1 0 250.346 0.907 10 0 CCAERO C[C@H](Cc1ncccc1C(N)=O)N1CC[NH+](C)CC1 ZINC000095934901 185033812 /nfs/dbraw/zinc/03/38/12/185033812.db2.gz AVWRJJWMNDIYDB-LLVKDONJSA-N 1 0 262.357 0.359 10 0 CCAERO COCC[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)N3CCCO3)[C@H]2C1 ZINC000096066429 185084160 /nfs/dbraw/zinc/08/41/60/185084160.db2.gz OZBBGODAODERSY-MGPQQGTHSA-N 1 0 298.383 0.524 10 0 CCAERO C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCc3ncnn3C2)C1 ZINC000408351731 282120959 /nfs/dbraw/zinc/12/09/59/282120959.db2.gz IAELVWVWBNLTOI-RYUDHWBXSA-N 1 0 292.387 0.186 10 0 CCAERO C[C@@H](c1cnccn1)S(=O)(=O)NC[C@@H]1CCC[NH2+]1 ZINC000095068156 349585006 /nfs/dbraw/zinc/58/50/06/349585006.db2.gz LFEOXVKACQYNFP-UWVGGRQHSA-N 1 0 270.358 0.209 10 0 CCAERO Cc1cc(C)nc(S(=O)(=O)N[C@@H]2CCC[NH2+]C2)n1 ZINC000095068860 349585518 /nfs/dbraw/zinc/58/55/18/349585518.db2.gz MHGXAXGSZNLMEQ-SNVBAGLBSA-N 1 0 270.358 0.124 10 0 CCAERO O=S(=O)(N[C@@H]1CCC[NH2+]C1)c1ncccc1Cl ZINC000095069792 349586039 /nfs/dbraw/zinc/58/60/39/349586039.db2.gz MYFQQGACTLYZCS-MRVPVSSYSA-N 1 0 275.761 0.765 10 0 CCAERO Cc1ccc(S(=O)(=O)CC2CC[NH2+]CC2)nn1 ZINC000095069083 349586155 /nfs/dbraw/zinc/58/61/55/349586155.db2.gz ZOSFSPRRHJRHRC-UHFFFAOYSA-N 1 0 255.343 0.558 10 0 CCAERO Cc1cc(Cl)nc(S(=O)(=O)[C@@H]2CCC[NH2+]C2)n1 ZINC000095069372 349586390 /nfs/dbraw/zinc/58/63/90/349586390.db2.gz GCBRXALRSDYPOU-MRVPVSSYSA-N 1 0 275.761 0.964 10 0 CCAERO Cc1cc(Cl)nc(S(=O)(=O)[C@H]2CCC[NH2+]C2)n1 ZINC000095069373 349586466 /nfs/dbraw/zinc/58/64/66/349586466.db2.gz GCBRXALRSDYPOU-QMMMGPOBSA-N 1 0 275.761 0.964 10 0 CCAERO O=S(=O)(N[C@H]1CC[NH2+]C1)c1ncccc1Cl ZINC000095069790 349586636 /nfs/dbraw/zinc/58/66/36/349586636.db2.gz QSCGGYJIERBXBC-ZETCQYMHSA-N 1 0 261.734 0.375 10 0 CCAERO CN(C1CC[NH2+]CC1)S(=O)(=O)Cc1ccncc1 ZINC000095070685 349587416 /nfs/dbraw/zinc/58/74/16/349587416.db2.gz FVMNDXQXBAUNFA-UHFFFAOYSA-N 1 0 269.370 0.595 10 0 CCAERO CN([C@@H]1CCC[NH2+]C1)S(=O)(=O)Cc1ccccn1 ZINC000095070624 349587419 /nfs/dbraw/zinc/58/74/19/349587419.db2.gz GQPFQXCYEXLIIH-GFCCVEGCSA-N 1 0 269.370 0.595 10 0 CCAERO COCC[NH2+]CC(=O)N1CC(=O)Nc2ccccc21 ZINC000095082266 349589015 /nfs/dbraw/zinc/58/90/15/349589015.db2.gz YEZOKPRQXWWUAW-UHFFFAOYSA-N 1 0 263.297 0.208 10 0 CCAERO CN1CC2(C1)C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]2 ZINC000096957861 185141686 /nfs/dbraw/zinc/14/16/86/185141686.db2.gz FXIPTMWABLMYEY-JTQLQIEISA-N 1 0 255.362 0.947 10 0 CCAERO NS(=O)(=O)c1cccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c1 ZINC000097092344 349627036 /nfs/dbraw/zinc/62/70/36/349627036.db2.gz OPSZONXKLYJKKV-RKDXNWHRSA-N 1 0 283.353 0.400 10 0 CCAERO COC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000262320251 536665508 /nfs/dbraw/zinc/66/55/08/536665508.db2.gz QFVCDVBTDILHEC-WCBMZHEXSA-N 1 0 293.323 0.168 10 0 CCAERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)NC(C)(C)C ZINC000103285572 349695875 /nfs/dbraw/zinc/69/58/75/349695875.db2.gz DCZDMRUHECGRHO-VHSXEESVSA-N 1 0 255.362 0.487 10 0 CCAERO C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000105129581 349720529 /nfs/dbraw/zinc/72/05/29/349720529.db2.gz OPALQYYDOWMSKR-UONOGXRCSA-N 1 0 298.431 0.491 10 0 CCAERO CCOCC[N@@H+]1CCN(Cc2nncn2C)C[C@@H]1C ZINC000105835612 349725293 /nfs/dbraw/zinc/72/52/93/349725293.db2.gz XIBOJHSBSQHCHK-LBPRGKRZSA-N 1 0 267.377 0.358 10 0 CCAERO CN(C(=O)C[N@@H+]1CCC[C@H](Cn2cncn2)C1)C1CC1 ZINC000105884438 349727878 /nfs/dbraw/zinc/72/78/78/349727878.db2.gz WEYRXATWTKWXTJ-LBPRGKRZSA-N 1 0 277.372 0.611 10 0 CCAERO CCCC[NH+]1CCC(NC(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000110368098 349759466 /nfs/dbraw/zinc/75/94/66/349759466.db2.gz SFUCVAROHLBJLH-NSHDSACASA-N 1 0 267.373 0.503 10 0 CCAERO C[C@H]1CN(C(=O)C(=O)N2CCCCCC2)C[C@H]1[NH3+] ZINC000335051655 290666248 /nfs/dbraw/zinc/66/62/48/290666248.db2.gz SVTAVTRMVJFMSH-WDEREUQCSA-N 1 0 253.346 0.195 10 0 CCAERO COC(=O)NC(C)(C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113227134 349804922 /nfs/dbraw/zinc/80/49/22/349804922.db2.gz BMTXVPDXMRAOFF-WDEREUQCSA-N 1 0 283.372 0.816 10 0 CCAERO C[NH+](C)[C@H]1CCCN(C(=O)N[C@@H]2CCCn3ncnc32)C1 ZINC000176607570 282253550 /nfs/dbraw/zinc/25/35/50/282253550.db2.gz BNMCGGYOKZSWCP-NWDGAFQWSA-N 1 0 292.387 0.849 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCN1CCOCC1 ZINC000113575506 349816910 /nfs/dbraw/zinc/81/69/10/349816910.db2.gz HLGXANJUUOFAFY-ZIAGYGMSSA-N 1 0 296.415 0.197 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccnn1C ZINC000113594556 349816639 /nfs/dbraw/zinc/81/66/39/349816639.db2.gz WNCCVOMLWLKMHK-DGCLKSJQSA-N 1 0 277.372 0.798 10 0 CCAERO O=C1CNC(=O)N1CCC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114202716 349824028 /nfs/dbraw/zinc/82/40/28/349824028.db2.gz OZHXOYQIJQWJCY-LBPRGKRZSA-N 1 0 291.355 0.879 10 0 CCAERO CCC[C@H](C(=O)OCC)N1CCO[C@H](C[NH+](C)C)C1 ZINC000114803125 349840491 /nfs/dbraw/zinc/84/04/91/349840491.db2.gz KBBSEEWPDNMUFK-CHWSQXEVSA-N 1 0 272.389 0.981 10 0 CCAERO CCc1nc2n(n1)C[C@@H](NC(=O)C[NH+](CC)CC)CC2 ZINC000114865476 349844381 /nfs/dbraw/zinc/84/43/81/349844381.db2.gz STBZZLJKUIKOTI-NSHDSACASA-N 1 0 279.388 0.613 10 0 CCAERO C[NH+]1CCC(NC(=O)NC[C@@H](O)C(C)(C)C)CC1 ZINC000114912000 349844844 /nfs/dbraw/zinc/84/48/44/349844844.db2.gz AJCPFLPDGJRABJ-LLVKDONJSA-N 1 0 257.378 0.787 10 0 CCAERO COC(=O)CCC[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000116402551 349870013 /nfs/dbraw/zinc/87/00/13/349870013.db2.gz ZDKDLCOKYIKGGA-GFCCVEGCSA-N 1 0 266.345 0.943 10 0 CCAERO C[NH+](C)C[C@H]1CN(C(=O)NCCCn2cccn2)CCO1 ZINC000117029981 349879895 /nfs/dbraw/zinc/87/98/95/349879895.db2.gz HXKBYVJLHYQFEM-ZDUSSCGKSA-N 1 0 295.387 0.245 10 0 CCAERO CCCCN(C)S(=O)(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116900182 349877438 /nfs/dbraw/zinc/87/74/38/349877438.db2.gz STURTFRWEYDADI-GFCCVEGCSA-N 1 0 293.433 0.226 10 0 CCAERO COCCN1CCN(C(=O)NC2CC[NH+](C)CC2)C[C@H]1C ZINC000117470116 349886779 /nfs/dbraw/zinc/88/67/79/349886779.db2.gz PEQUEUCFQHOCEH-CYBMUJFWSA-N 1 0 298.431 0.443 10 0 CCAERO C[C@H]1C[NH2+]CCN1c1ccc2nnc(C(F)(F)F)n2n1 ZINC000118492062 349903217 /nfs/dbraw/zinc/90/32/17/349903217.db2.gz RGLJHAXSFRBZGC-ZETCQYMHSA-N 1 0 286.261 0.941 10 0 CCAERO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(C)CCO2)CN1C1CC1 ZINC000119266057 349926535 /nfs/dbraw/zinc/92/65/35/349926535.db2.gz ZQDNAOKLOPUQGR-YRGRVCCFSA-N 1 0 253.390 0.532 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@H](CO)C2)C1 ZINC000119612634 349944358 /nfs/dbraw/zinc/94/43/58/349944358.db2.gz JJIIQHRWWHZVBQ-NWDGAFQWSA-N 1 0 255.362 0.495 10 0 CCAERO [NH3+][C@@H]1CCC[C@H]1C(=O)NCCOCC(F)(F)F ZINC000085375759 136794690 /nfs/dbraw/zinc/79/46/90/136794690.db2.gz RKPFPGUUZSHUEC-HTQZYQBOSA-N 1 0 254.252 0.809 10 0 CCAERO NC(=O)CSCC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107782772 136814670 /nfs/dbraw/zinc/81/46/70/136814670.db2.gz FVEDPOVONMKNSR-GFCCVEGCSA-N 1 0 299.440 0.682 10 0 CCAERO CCc1nc2n(n1)CCC[C@H]2NC(=O)CC(C)(C)[NH3+] ZINC000178866399 136882589 /nfs/dbraw/zinc/88/25/89/136882589.db2.gz NKXDACQKFNWQHG-SECBINFHSA-N 1 0 265.361 0.919 10 0 CCAERO C[C@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)[C@H]1CCCO1 ZINC000248370701 136991416 /nfs/dbraw/zinc/99/14/16/136991416.db2.gz XVEWXHNPXGEPAK-YNEHKIRRSA-N 1 0 290.429 0.815 10 0 CCAERO CCOC(=O)COCCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000250479458 137001567 /nfs/dbraw/zinc/00/15/67/137001567.db2.gz UWVJWHJRNJMZAT-LBPRGKRZSA-N 1 0 256.346 0.346 10 0 CCAERO CC[C@@H]1CN(C(=O)[C@@]2(F)CC[NH2+]C2)CCN1CCOC ZINC000252671443 137003884 /nfs/dbraw/zinc/00/38/84/137003884.db2.gz VTWUVVPYPVUMHW-TZMCWYRMSA-N 1 0 287.379 0.257 10 0 CCAERO c1nc(NC[C@H]2C[NH2+]CCO2)cc(N2CCCC2)n1 ZINC000258744390 137005951 /nfs/dbraw/zinc/00/59/51/137005951.db2.gz WJYBZFYRYNQDOS-LLVKDONJSA-N 1 0 263.345 0.477 10 0 CCAERO Cc1cc(NC(=O)CN2CC[C@H]([NH3+])C(C)(C)C2)on1 ZINC000261573236 137009146 /nfs/dbraw/zinc/00/91/46/137009146.db2.gz VHMTYGHTNIJKMK-JTQLQIEISA-N 1 0 266.345 0.981 10 0 CCAERO CCn1cc(S(=O)(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cn1 ZINC000261634597 137013219 /nfs/dbraw/zinc/01/32/19/137013219.db2.gz DDGVJUOAJYDXEQ-LLVKDONJSA-N 1 0 286.401 0.651 10 0 CCAERO CCOC(=O)[C@@H](C)CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261643688 137013702 /nfs/dbraw/zinc/01/37/02/137013702.db2.gz CXESYHYWJJTXCH-HBNTYKKESA-N 1 0 256.346 0.677 10 0 CCAERO O=S(=O)(NCc1ccc2c(c1)C[NH2+]C2)[C@H]1CCCOC1 ZINC000261655800 137014546 /nfs/dbraw/zinc/01/45/46/137014546.db2.gz IFEPHUZGSVXWNA-AWEZNQCLSA-N 1 0 296.392 0.888 10 0 CCAERO COCCc1noc(CN2CC[C@@H]([NH3+])C(C)(C)C2)n1 ZINC000261658732 137014587 /nfs/dbraw/zinc/01/45/87/137014587.db2.gz HZZWJDGZKOHFFC-SNVBAGLBSA-N 1 0 268.361 0.818 10 0 CCAERO COc1ccc(OC)c(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000262351486 137039656 /nfs/dbraw/zinc/03/96/56/137039656.db2.gz ULSZXBHGWYWGRC-JOYOIKCWSA-N 1 0 280.324 0.014 10 0 CCAERO CC(C)OCCN1CCN(C(=O)[C@H](C)C2C[NH2+]C2)CC1 ZINC000262352917 137039793 /nfs/dbraw/zinc/03/97/93/137039793.db2.gz JIUOYSDRXMZVSY-CYBMUJFWSA-N 1 0 283.416 0.411 10 0 CCAERO COC[C@H]([NH3+])C(=O)NCc1ccc(-n2ccnc2C)nc1 ZINC000262358179 137040060 /nfs/dbraw/zinc/04/00/60/137040060.db2.gz VERSZOZLKASSSJ-LBPRGKRZSA-N 1 0 289.339 0.166 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1c(F)cc(F)cc1F ZINC000262389594 137041705 /nfs/dbraw/zinc/04/17/05/137041705.db2.gz XVOLQWYFVIHWAZ-LDWIPMOCSA-N 1 0 274.242 0.414 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000262392783 137041881 /nfs/dbraw/zinc/04/18/81/137041881.db2.gz XYSYVFFXGDMMPN-GAFUQQFSSA-N 1 0 296.754 0.340 10 0 CCAERO Cc1cccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1F ZINC000262410449 137042510 /nfs/dbraw/zinc/04/25/10/137042510.db2.gz ZETJENDWEGEHHW-KOLCDFICSA-N 1 0 252.289 0.444 10 0 CCAERO C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262405203 137042747 /nfs/dbraw/zinc/04/27/47/137042747.db2.gz YUQVLVBYIQVSNV-CWSCBRNRSA-N 1 0 298.770 0.804 10 0 CCAERO CCn1nc(C(C)C)cc1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262417567 137042840 /nfs/dbraw/zinc/04/28/40/137042840.db2.gz ZTLIERSJOIFUFM-MFKMUULPSA-N 1 0 280.372 0.337 10 0 CCAERO C[C@H](OCc1ccccc1)C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262417537 137043142 /nfs/dbraw/zinc/04/31/42/137043142.db2.gz ZSHYLQUTPUYMIO-YUTCNCBUSA-N 1 0 278.352 0.288 10 0 CCAERO C[C@@H](C(=O)N[C@@H](C)COCC(F)(F)F)C1C[NH2+]C1 ZINC000262523416 137045690 /nfs/dbraw/zinc/04/56/90/137045690.db2.gz KYYVCMVYOBAGSG-JGVFFNPUSA-N 1 0 268.279 0.926 10 0 CCAERO C[C@@H](NC(N)=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000262575796 137047358 /nfs/dbraw/zinc/04/73/58/137047358.db2.gz FJVXZTDQICJYKV-SNVBAGLBSA-N 1 0 270.377 0.472 10 0 CCAERO C[C@@H](C(=O)NCc1ccc(-c2nn[nH]n2)cc1)C1C[NH2+]C1 ZINC000262610496 137048079 /nfs/dbraw/zinc/04/80/79/137048079.db2.gz YPTOSOMCHOWYPV-SECBINFHSA-N 1 0 286.339 0.338 10 0 CCAERO CCC[C@](C)([NH3+])C(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000262693089 137050564 /nfs/dbraw/zinc/05/05/64/137050564.db2.gz BKTHXFGDZNWONF-JSGCOSHPSA-N 1 0 269.389 0.483 10 0 CCAERO CC[C@@H](CCO)NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262756112 137052897 /nfs/dbraw/zinc/05/28/97/137052897.db2.gz KXTZMIYHELKOCT-RYUDHWBXSA-N 1 0 280.372 0.698 10 0 CCAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1scnc1C1CC1 ZINC000263177678 137059826 /nfs/dbraw/zinc/05/98/26/137059826.db2.gz GIMLXTTXBONUCL-ZJUUUORDSA-N 1 0 253.371 0.690 10 0 CCAERO C[NH2+]CCC1CCN(S(=O)(=O)[C@H]2CCCOC2)CC1 ZINC000261692833 137015888 /nfs/dbraw/zinc/01/58/88/137015888.db2.gz NFMSEHUENGZVDT-ZDUSSCGKSA-N 1 0 290.429 0.817 10 0 CCAERO C[C@H]([NH3+])CC(=O)N[C@H](Cc1ccccc1)C(=O)NC1CC1 ZINC000261799011 137020735 /nfs/dbraw/zinc/02/07/35/137020735.db2.gz KWMLMPYPNPAGBK-SMDDNHRTSA-N 1 0 289.379 0.730 10 0 CCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCNc1cnccn1 ZINC000261881193 137024004 /nfs/dbraw/zinc/02/40/04/137024004.db2.gz ZDBAFDSXEFBAGE-GHMZBOCLSA-N 1 0 263.345 0.380 10 0 CCAERO NC(=O)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261886146 137024079 /nfs/dbraw/zinc/02/40/79/137024079.db2.gz ZSBQIOCWRCSZAU-GRYCIOLGSA-N 1 0 267.373 0.618 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1coc(Br)c1 ZINC000261900499 137024916 /nfs/dbraw/zinc/02/49/16/137024916.db2.gz AERIMXOBHPXJKU-JGVFFNPUSA-N 1 0 289.129 0.352 10 0 CCAERO O[C@H]1C[NH2+]C[C@H]1CNCc1cc(-c2ccccc2)n[nH]1 ZINC000262174661 137029424 /nfs/dbraw/zinc/02/94/24/137029424.db2.gz VPCWLEZNJNEMJX-DOMZBBRYSA-N 1 0 272.352 0.747 10 0 CCAERO Cn1cc(CNC[C@H]2C[NH2+]C[C@@H]2O)c(-c2ccncc2)n1 ZINC000262188775 137030332 /nfs/dbraw/zinc/03/03/32/137030332.db2.gz YAGSPIPMHVMLPT-JSGCOSHPSA-N 1 0 287.367 0.152 10 0 CCAERO COc1c(F)ccc(F)c1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262202582 137030524 /nfs/dbraw/zinc/03/05/24/137030524.db2.gz IGAUSXOOQLITKG-GMSGAONNSA-N 1 0 286.278 0.284 10 0 CCAERO COCc1cccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000262204230 137031109 /nfs/dbraw/zinc/03/11/09/137031109.db2.gz IKGSTICCOPHTIX-CHWSQXEVSA-N 1 0 264.325 0.143 10 0 CCAERO C[C@@H](NC(=O)[C@@H](C)C[NH3+])c1ccc2c(c1)NC(=O)CO2 ZINC000262204325 137031263 /nfs/dbraw/zinc/03/12/63/137031263.db2.gz NJWLHASHUSFOCD-DTWKUNHWSA-N 1 0 277.324 0.790 10 0 CCAERO CS[C@H](C(=O)NC[C@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000262245334 137033028 /nfs/dbraw/zinc/03/30/28/137033028.db2.gz LEJHZQWIMOSWJX-AGIUHOORSA-N 1 0 280.393 0.787 10 0 CCAERO C[C@H](CC(=O)NC[C@@H]1C[NH2+]C[C@H]1O)c1ccccc1 ZINC000262253628 137033334 /nfs/dbraw/zinc/03/33/34/137033334.db2.gz LRHCSDZYGHYGNK-KWCYVHTRSA-N 1 0 262.353 0.877 10 0 CCAERO CCc1ccc(CC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262266170 137033551 /nfs/dbraw/zinc/03/35/51/137033551.db2.gz MPIZYKGBPCRMEU-KBPBESRZSA-N 1 0 262.353 0.488 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc2ncsc2c1 ZINC000262264824 137033634 /nfs/dbraw/zinc/03/36/34/137033634.db2.gz MMCPDVGXCOJQCW-KOLCDFICSA-N 1 0 277.349 0.606 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cc2c(c(Cl)c1)OCO2 ZINC000262263249 137033895 /nfs/dbraw/zinc/03/38/95/137033895.db2.gz MKKXDMUZKDGZLO-WCBMZHEXSA-N 1 0 298.726 0.379 10 0 CCAERO CC(C)OCc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262272055 137034176 /nfs/dbraw/zinc/03/41/76/137034176.db2.gz NBQOVWZHJXVJAZ-GJZGRUSLSA-N 1 0 292.379 0.922 10 0 CCAERO C[C@@H](C(=O)N[C@](C)(C(N)=O)c1ccccc1)C1C[NH2+]C1 ZINC000262271120 137034391 /nfs/dbraw/zinc/03/43/91/137034391.db2.gz VSOKIYYWUCTDIV-BMIGLBTASA-N 1 0 275.352 0.359 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cccc(Br)c1 ZINC000262280080 137034504 /nfs/dbraw/zinc/03/45/04/137034504.db2.gz NSZWMRINTDNWQT-KOLCDFICSA-N 1 0 299.168 0.759 10 0 CCAERO Cc1nc(C)c(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)s1 ZINC000262312034 137036984 /nfs/dbraw/zinc/03/69/84/137036984.db2.gz QLVSCEWYWMPHRW-IUCAKERBSA-N 1 0 255.343 0.070 10 0 CCAERO CC(C)c1ncc(Cl)c(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)n1 ZINC000262322617 137037575 /nfs/dbraw/zinc/03/75/75/137037575.db2.gz RMZYXBBXYCXPPW-WPRPVWTQSA-N 1 0 298.774 0.564 10 0 CCAERO Cc1ccc(OCC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262329109 137038412 /nfs/dbraw/zinc/03/84/12/137038412.db2.gz SDMWAISBHZYYAT-AAEUAGOBSA-N 1 0 264.325 0.070 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cccc2c1CCC2 ZINC000262335960 137038785 /nfs/dbraw/zinc/03/87/85/137038785.db2.gz SRWFHBLNMDAMDG-BXUZGUMPSA-N 1 0 260.337 0.485 10 0 CCAERO CN1CC[NH2+]C[C@H]1c1noc(CCc2cscn2)n1 ZINC000263248427 137061770 /nfs/dbraw/zinc/06/17/70/137061770.db2.gz POILXLDJMLTEOU-JTQLQIEISA-N 1 0 279.369 0.887 10 0 CCAERO CN1CC[NH2+]C[C@H]1c1noc(C[C@@H]2CCCCO2)n1 ZINC000263256305 137061919 /nfs/dbraw/zinc/06/19/19/137061919.db2.gz QNOMVSPNRFKDHS-QWRGUYRKSA-N 1 0 266.345 0.757 10 0 CCAERO O=C(NCc1cccc(CN2CCOCC2)c1)C1C[NH2+]C1 ZINC000263266558 137062127 /nfs/dbraw/zinc/06/21/27/137062127.db2.gz HJEHMSUNPZTCDA-UHFFFAOYSA-N 1 0 289.379 0.354 10 0 CCAERO O=C(NCc1ccc(CN2CCCC2=O)cc1)C1C[NH2+]C1 ZINC000263266616 137062355 /nfs/dbraw/zinc/06/23/55/137062355.db2.gz HMHOIPSJAQMJMD-UHFFFAOYSA-N 1 0 287.363 0.645 10 0 CCAERO CC(=O)Nc1ccc(CNC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263288407 137063182 /nfs/dbraw/zinc/06/31/82/137063182.db2.gz VJPQHRJMZBOTTP-OCCSQVGLSA-N 1 0 263.341 0.315 10 0 CCAERO CCc1cccc(NC(=O)CNC(=O)C2C[NH2+]C2)c1 ZINC000263340069 137064100 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COCCOc1ccc(CNC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263186993 137060184 /nfs/dbraw/zinc/06/01/84/137060184.db2.gz HLJHQRQOOWWQII-ZFWWWQNUSA-N 1 0 280.368 0.382 10 0 CCAERO O[C@H]1C[NH2+]C[C@H]1CNCc1c(C2CC2)nc2sccn12 ZINC000263222134 137060904 /nfs/dbraw/zinc/06/09/04/137060904.db2.gz MASYJJDPUFFVDN-PWSUYJOCSA-N 1 0 292.408 0.943 10 0 CCAERO CN1CC[NH2+]C[C@H]1c1noc(C2CCOCC2)n1 ZINC000263225200 137061053 /nfs/dbraw/zinc/06/10/53/137061053.db2.gz MRJCIBBPZZUTLB-JTQLQIEISA-N 1 0 252.318 0.540 10 0 CCAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000343969564 137171127 /nfs/dbraw/zinc/17/11/27/137171127.db2.gz DTTLKKKZDFVLNT-QWHCGFSZSA-N 1 0 264.325 0.367 10 0 CCAERO CC(C)C[NH+](CC(C)C)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000004226974 347991573 /nfs/dbraw/zinc/99/15/73/347991573.db2.gz IPCPIEXSPKHBPJ-NWDGAFQWSA-N 1 0 263.403 0.758 10 0 CCAERO O=S(=O)(c1ccc2c(c1)C[NH2+]CC2)N1CCOCC1 ZINC000019672150 348066598 /nfs/dbraw/zinc/06/65/98/348066598.db2.gz QTHZOTBJKWLROX-UHFFFAOYSA-N 1 0 282.365 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QDVYIPOMPBAERO-JTQLQIEISA-N 1 0 250.346 0.548 10 0 CCAERO CCC[C@H](C(=O)Nc1cnn(CC(N)=O)c1)[NH+](C)C ZINC000136191859 350417007 /nfs/dbraw/zinc/41/70/07/350417007.db2.gz KVDSYZGGMDYDIR-SNVBAGLBSA-N 1 0 267.333 0.037 10 0 CCAERO COC(C[NH+]1CCC(N2CCO[C@@H](C)C2)CC1)OC ZINC000136746324 350428144 /nfs/dbraw/zinc/42/81/44/350428144.db2.gz USEMFBXOAKBCQD-LBPRGKRZSA-N 1 0 272.389 0.790 10 0 CCAERO CC[C@@H]1CN(CCN2C(=O)CCC2=O)CC[N@@H+]1CCOC ZINC000105836870 186075670 /nfs/dbraw/zinc/07/56/70/186075670.db2.gz YNPHJRUHBGRWMV-CYBMUJFWSA-N 1 0 297.399 0.178 10 0 CCAERO CCCNC(=O)CN1CC[N@H+](CCOCC)[C@H](CC)C1 ZINC000105837587 186077149 /nfs/dbraw/zinc/07/71/49/186077149.db2.gz JEQDMNCVEBHLIV-CQSZACIVSA-N 1 0 285.432 0.945 10 0 CCAERO Cc1cnn([C@H]2CCC[N@H+](CCN3C(=O)CCC3=O)C2)c1 ZINC000105901217 186088240 /nfs/dbraw/zinc/08/82/40/186088240.db2.gz HOSFUYAXRAZXPM-ZDUSSCGKSA-N 1 0 290.367 0.977 10 0 CCAERO CCCCNC(=O)[C@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000105932860 186091943 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RGNRNLOLSPIXAG-GFCCVEGCSA-N 1 0 291.351 0.796 10 0 CCAERO C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)C(=O)N1CCCCC1 ZINC000111267750 186382729 /nfs/dbraw/zinc/38/27/29/186382729.db2.gz SJZKWWSJYJJWQV-GRYCIOLGSA-N 1 0 267.373 0.359 10 0 CCAERO Cc1ccn2ncc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)c2n1 ZINC000171299661 350899634 /nfs/dbraw/zinc/89/96/34/350899634.db2.gz XVYMZXFCFCJOKE-LBPRGKRZSA-N 1 0 285.351 0.958 10 0 CCAERO CC(C)NC(=O)CC[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000171618999 350920860 /nfs/dbraw/zinc/92/08/60/350920860.db2.gz XBWZKDXEDJQPER-GFCCVEGCSA-N 1 0 265.361 0.830 10 0 CCAERO CNC(=O)C1(C(=O)N2CCC[N@@H+](C3CC3)CC2)CC1 ZINC000171710828 350930081 /nfs/dbraw/zinc/93/00/81/350930081.db2.gz OEBJCFMWVOLRHK-UHFFFAOYSA-N 1 0 265.357 0.209 10 0 CCAERO C[C@H](NC(N)=O)C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000171887017 350941281 /nfs/dbraw/zinc/94/12/81/350941281.db2.gz WYDYNQHATSVRGL-JQWIXIFHSA-N 1 0 278.356 0.462 10 0 CCAERO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2cccnc2)C1 ZINC000170873557 350870408 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CCn1c(C)nnc1CN1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000647865746 390198154 /nfs/dbraw/zinc/19/81/54/390198154.db2.gz RRJCIATUBVDPPL-GXSJLCMTSA-N 1 0 253.350 0.154 10 0 CCAERO CO[C@@H]1C[NH2+][C@H](C(=O)N2CCC(c3cnn(C)c3)CC2)C1 ZINC000583618113 390297627 /nfs/dbraw/zinc/29/76/27/390297627.db2.gz DOBGXZVMZLHHGH-KBPBESRZSA-N 1 0 292.383 0.503 10 0 CCAERO C[C@H](CS(C)(=O)=O)N(C)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000648081397 390273599 /nfs/dbraw/zinc/27/35/99/390273599.db2.gz GZPAPXSKMDTYKB-MXWKQRLJSA-N 1 0 276.402 0.253 10 0 CCAERO CC(C)(C)[C@@H](O)CNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000648153443 390315778 /nfs/dbraw/zinc/31/57/78/390315778.db2.gz NKPGJFFPOCLOTE-IUCAKERBSA-N 1 0 264.316 0.754 10 0 CCAERO COC[C@@]1(C(=O)N2CC[C@@H]3OCC[C@@H]3C2)CCC[NH2+]1 ZINC000648195744 390337824 /nfs/dbraw/zinc/33/78/24/390337824.db2.gz YYDRWDCFEQPVIP-MBNYWOFBSA-N 1 0 268.357 0.392 10 0 CCAERO Cc1nn(C)c2ncc(NC(=O)[C@H]3C[C@H](F)C[NH2+]3)cc12 ZINC000645332291 390410841 /nfs/dbraw/zinc/41/08/41/390410841.db2.gz 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SNDOLEZYYZUFIJ-UHFFFAOYSA-N 1 0 274.193 0.951 10 0 CCAERO O[C@H](CN1CCOCC1)C[N@@H+]1C[C@@H]2CCCCC[C@H]21 ZINC000371942684 144348036 /nfs/dbraw/zinc/34/80/36/144348036.db2.gz MJZYGBWRPONYET-RRFJBIMHSA-N 1 0 268.401 0.944 10 0 CCAERO Cn1ncc2c1ncnc2N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000394260866 397516748 /nfs/dbraw/zinc/51/67/48/397516748.db2.gz LYFKMGHQOKFKHW-HZMBPMFUSA-N 1 0 272.356 0.929 10 0 CCAERO O[C@@]1(Cn2cc(I)cn2)CC[NH2+]C1 ZINC000575458215 397580889 /nfs/dbraw/zinc/58/08/89/397580889.db2.gz FYBORTZMRGACEC-QMMMGPOBSA-N 1 0 293.108 0.212 10 0 CCAERO O=C(c1ccn([C@H]2CCCCO2)n1)N1CC[NH2+]CC1 ZINC000575601658 397581442 /nfs/dbraw/zinc/58/14/42/397581442.db2.gz AZVGSEKJQVDODE-GFCCVEGCSA-N 1 0 264.329 0.628 10 0 CCAERO COCC(=O)N[C@H](C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)C(C)C ZINC000262064549 292182213 /nfs/dbraw/zinc/18/22/13/292182213.db2.gz RXPBITFUOBBHIA-YPMHNXCESA-N 1 0 299.415 0.359 10 0 CCAERO CO[C@H]1C[C@@H](C(=O)N2CC3(CCC3(F)F)C2)[N@H+](C)C1 ZINC000334753042 286080667 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C[C@H]1CC2(CN1C(=O)[C@H]1CNC(=O)C1)CC[NH2+]CC2 ZINC000333360814 299736585 /nfs/dbraw/zinc/73/65/85/299736585.db2.gz CWDYIMDDVSXSMS-WDEREUQCSA-N 1 0 265.357 0.113 10 0 CCAERO CC(=O)N[C@H]1CCCN(C(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000659254869 413357774 /nfs/dbraw/zinc/35/77/74/413357774.db2.gz GYHOVSVKWISBPL-LBPRGKRZSA-N 1 0 279.384 0.775 10 0 CCAERO CCS(=O)(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374269592 286666442 /nfs/dbraw/zinc/66/64/42/286666442.db2.gz JHIGZZONWAJUGL-LBPRGKRZSA-N 1 0 289.445 0.436 10 0 CCAERO CN(Cc1cn(C)nn1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000659368985 413454782 /nfs/dbraw/zinc/45/47/82/413454782.db2.gz RMRIMNOYBXKIRJ-MWLCHTKSSA-N 1 0 251.334 0.149 10 0 CCAERO C[C@@H](NC(N)=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172415334 287007144 /nfs/dbraw/zinc/00/71/44/287007144.db2.gz BFBRZBRIUBQZTR-LLVKDONJSA-N 1 0 282.388 0.520 10 0 CCAERO C[C@H](CN1CCCC[C@H]1C(=[NH2+])NO)CS(C)(=O)=O ZINC000368523130 298588938 /nfs/dbraw/zinc/58/89/38/298588938.db2.gz CHZSUAOGRIFLOT-ZJUUUORDSA-N 1 0 277.390 0.478 10 0 CCAERO CCCNC(=O)CCNC(=O)C1CCC([NH3+])CC1 ZINC000045088545 411634747 /nfs/dbraw/zinc/63/47/47/411634747.db2.gz DGYXXUONUSEBPN-UHFFFAOYSA-N 1 0 255.362 0.536 10 0 CCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2ccc(F)c(F)c2)C1 ZINC000049578104 411674166 /nfs/dbraw/zinc/67/41/66/411674166.db2.gz IGMIIOWVCNWOBT-BXKDBHETSA-N 1 0 270.279 0.958 10 0 CCAERO C[C@@H]1Cc2ccccc2N1C(=O)Cn1cc(C[NH3+])nn1 ZINC000050224307 411676415 /nfs/dbraw/zinc/67/64/15/411676415.db2.gz NPDQAHDFJZHBSL-SNVBAGLBSA-N 1 0 271.324 0.715 10 0 CCAERO COC1(C(=O)N[C@H]2CCC[C@H](O)C2)CC[NH2+]CC1 ZINC000310831195 411748062 /nfs/dbraw/zinc/74/80/62/411748062.db2.gz GQXMNONCWVPZJH-QWRGUYRKSA-N 1 0 256.346 0.175 10 0 CCAERO FC(F)(F)COCCN1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404078268 411791152 /nfs/dbraw/zinc/79/11/52/411791152.db2.gz OCGWONAHPHKXQZ-VHSXEESVSA-N 1 0 268.279 0.628 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCCN1CCCC1=O ZINC000405416763 411801215 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ZINC000652356820 412038514 /nfs/dbraw/zinc/03/85/14/412038514.db2.gz JWNMFJCURWTJDD-CHWSQXEVSA-N 1 0 292.445 0.495 10 0 CCAERO COc1cc(C[NH2+]CCNC(C)=O)cc(OC)c1OC ZINC000020148692 171036851 /nfs/dbraw/zinc/03/68/51/171036851.db2.gz AMYSGOZOBURHMW-UHFFFAOYSA-N 1 0 282.340 0.938 10 0 CCAERO [NH3+]Cc1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1F ZINC000020189097 171054799 /nfs/dbraw/zinc/05/47/99/171054799.db2.gz NQKYWIXOSUHBKA-SNVBAGLBSA-N 1 0 288.344 0.742 10 0 CCAERO CCS(=O)(=O)N(CC[NH3+])c1ccc(OC)cc1 ZINC000020236070 171096114 /nfs/dbraw/zinc/09/61/14/171096114.db2.gz XAOSPGCVXVBMQS-UHFFFAOYSA-N 1 0 258.343 0.810 10 0 CCAERO CCOc1ccccc1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000020247455 171100573 /nfs/dbraw/zinc/10/05/73/171100573.db2.gz HPTLNSBTQWDJAL-UHFFFAOYSA-N 1 0 285.369 0.647 10 0 CCAERO CCOC(=O)C1CCN(C(=O)[C@H](C)N2CC[NH2+]CC2)CC1 ZINC000020269940 171125228 /nfs/dbraw/zinc/12/52/28/171125228.db2.gz YBBIYIBQHQWGCB-LBPRGKRZSA-N 1 0 297.399 0.082 10 0 CCAERO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CN2CCC1CC2 ZINC000020366043 171164679 /nfs/dbraw/zinc/16/46/79/171164679.db2.gz VOKLVRNKGIICCP-GMXVVIOVSA-N 1 0 253.390 0.973 10 0 CCAERO C[C@@H]1CN(S(=O)(=O)c2ccc(C[NH3+])cc2)C[C@@H](C)O1 ZINC000022168498 171366887 /nfs/dbraw/zinc/36/68/87/171366887.db2.gz YVYQOARGRNMHOY-GHMZBOCLSA-N 1 0 284.381 0.943 10 0 CCAERO NC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(N)c2)C1 ZINC000022169989 171367876 /nfs/dbraw/zinc/36/78/76/171367876.db2.gz QUZWTPGVOPBQCG-LLVKDONJSA-N 1 0 290.367 0.795 10 0 CCAERO C[C@@H](C(=O)Nc1ccccc1C[NH3+])N1CCC(O)CC1 ZINC000022218624 171376829 /nfs/dbraw/zinc/37/68/29/171376829.db2.gz BEAPQYMOWXWBNI-NSHDSACASA-N 1 0 277.368 0.929 10 0 CCAERO O=C(NCCCn1cccn1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653066234 412207240 /nfs/dbraw/zinc/20/72/40/412207240.db2.gz KVRYBFMUCXFOMR-NXEZZACHSA-N 1 0 290.289 0.787 10 0 CCAERO O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653071518 412208980 /nfs/dbraw/zinc/20/89/80/412208980.db2.gz JDFSXFJCJYQYRN-ZYUZMQFOSA-N 1 0 280.290 0.804 10 0 CCAERO Cc1cc(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)on1 ZINC000653080686 412211248 /nfs/dbraw/zinc/21/12/48/412211248.db2.gz PXPUVRZOSGEANI-RKDXNWHRSA-N 1 0 277.246 0.997 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cc2ccccc2[nH]1 ZINC000653138662 412238390 /nfs/dbraw/zinc/23/83/90/412238390.db2.gz DYNQQIYCPJTNLR-GXFFZTMASA-N 1 0 259.309 0.478 10 0 CCAERO Cc1c(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)cnn1C ZINC000653149865 412242378 /nfs/dbraw/zinc/24/23/78/412242378.db2.gz JFPCVQKPBMWNEY-NXEZZACHSA-N 1 0 290.289 0.743 10 0 CCAERO Cc1cc(NC(=O)CN2CCO[C@H]3CC[N@@H+](C)C[C@H]32)no1 ZINC000284900926 196153346 /nfs/dbraw/zinc/15/33/46/196153346.db2.gz RXSPEHXSHIZPDX-NEPJUHHUSA-N 1 0 294.355 0.326 10 0 CCAERO Cc1cnn(C)c1S(=O)(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000285061922 196187926 /nfs/dbraw/zinc/18/79/26/196187926.db2.gz DOLVTPQOZWXAAJ-NSHDSACASA-N 1 0 286.401 0.301 10 0 CCAERO CCN(C(=O)[C@H]([NH3+])CCS(C)(=O)=O)C1CCCCC1 ZINC000035220778 172062565 /nfs/dbraw/zinc/06/25/65/172062565.db2.gz ZXUIYFZIDWQWGZ-GFCCVEGCSA-N 1 0 290.429 0.930 10 0 CCAERO CC[C@@H]1C[C@@H](C(=O)N2CCO[C@@H](C[NH+](C)C)C2)CCO1 ZINC000248519150 287266997 /nfs/dbraw/zinc/26/69/97/287266997.db2.gz AWTAHVVVIDUYEQ-MJBXVCDLSA-N 1 0 284.400 0.981 10 0 CCAERO C[NH2+]C[C@H](O)COc1c(OC)cc(C)cc1OC ZINC000035679084 172349969 /nfs/dbraw/zinc/34/99/69/172349969.db2.gz PYSKFBWWIMPSOZ-JTQLQIEISA-N 1 0 255.314 0.971 10 0 CCAERO C[C@H]1CN(C(=O)NC2CC2)C[C@H](C)N1CC[NH+](C)C ZINC000036217823 172518075 /nfs/dbraw/zinc/51/80/75/172518075.db2.gz RDHRHNDGWGXEEZ-RYUDHWBXSA-N 1 0 268.405 0.815 10 0 CCAERO CC(=O)NCCNC(=O)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000036746461 172674817 /nfs/dbraw/zinc/67/48/17/172674817.db2.gz PWWHPIGPSSEJHM-GRYCIOLGSA-N 1 0 253.346 0.159 10 0 CCAERO CC(=O)NCCNS(=O)(=O)c1cccc([C@@H](C)[NH3+])c1 ZINC000036746608 172675111 /nfs/dbraw/zinc/67/51/11/172675111.db2.gz GKWLEVPBLHJHAV-SECBINFHSA-N 1 0 285.369 0.121 10 0 CCAERO CN1CCO[C@H](C[N@H+](C)C[C@@H]2CCC[C@H](O)C2)C1 ZINC000659901018 413954648 /nfs/dbraw/zinc/95/46/48/413954648.db2.gz RIHQZDYSSRQLDW-RDBSUJKOSA-N 1 0 256.390 0.800 10 0 CCAERO [NH3+]CCSCC(=O)NC(=O)Cc1ccccc1 ZINC000037035681 172903528 /nfs/dbraw/zinc/90/35/28/172903528.db2.gz MWSJARNJZUURDD-UHFFFAOYSA-N 1 0 252.339 0.564 10 0 CCAERO CCCN(C(=O)C1=COCCO1)C1CC[NH2+]CC1 ZINC000037537629 173257027 /nfs/dbraw/zinc/25/70/27/173257027.db2.gz MVGXDRZCFHFELV-UHFFFAOYSA-N 1 0 254.330 0.865 10 0 CCAERO Cc1cccc(C(=O)N(CC(N)=O)[C@H]2CC[NH2+]C2)c1 ZINC000037540547 173262347 /nfs/dbraw/zinc/26/23/47/173262347.db2.gz RALSOKOOUJDPGG-LBPRGKRZSA-N 1 0 261.325 0.284 10 0 CCAERO NC(=O)CN(C(=O)Cc1cccs1)C1CC[NH2+]CC1 ZINC000037542535 173263889 /nfs/dbraw/zinc/26/38/89/173263889.db2.gz MXRTYNAMRNEPAU-UHFFFAOYSA-N 1 0 281.381 0.357 10 0 CCAERO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[C@@H](C)[NH3+] ZINC000037608495 173556638 /nfs/dbraw/zinc/55/66/38/173556638.db2.gz NPBGZJPPJRFBEU-MRVPVSSYSA-N 1 0 271.342 0.318 10 0 CCAERO C[NH2+]C1CCC(NS(=O)(=O)c2cn[nH]c2)CC1 ZINC000037744968 173667140 /nfs/dbraw/zinc/66/71/40/173667140.db2.gz VUSWIBWQQRBQFU-UHFFFAOYSA-N 1 0 258.347 0.219 10 0 CCAERO C[C@H](C[NH2+][C@H]1CCS(=O)(=O)C1)N1CCCCC1 ZINC000038029185 174019327 /nfs/dbraw/zinc/01/93/27/174019327.db2.gz KFRFDSOXNLGADH-NEPJUHHUSA-N 1 0 260.403 0.638 10 0 CCAERO CCN(CCC[NH2+][C@H]1CCC[C@@H]1O)S(C)(=O)=O ZINC000038035727 174033867 /nfs/dbraw/zinc/03/38/67/174033867.db2.gz BFQGDQKYRMWMPZ-QWRGUYRKSA-N 1 0 264.391 0.161 10 0 CCAERO CS(=O)(=O)CCC[NH2+]CC(=O)N1CCCCC1 ZINC000038048179 174058875 /nfs/dbraw/zinc/05/88/75/174058875.db2.gz KQLHUEHNWRZOMA-UHFFFAOYSA-N 1 0 262.375 0.023 10 0 CCAERO O=S1(=O)CC[C@@H](C[NH2+]Cc2ccc3c(c2)OCO3)C1 ZINC000038083188 174092822 /nfs/dbraw/zinc/09/28/22/174092822.db2.gz WHHKVJZMTKLLAT-NSHDSACASA-N 1 0 283.349 0.940 10 0 CCAERO NC(=[NH2+])c1ccccc1O[C@@H]1CCS(=O)(=O)C1 ZINC000038084915 174095084 /nfs/dbraw/zinc/09/50/84/174095084.db2.gz UGTPOGMYXBFPDK-MRVPVSSYSA-N 1 0 254.311 0.537 10 0 CCAERO O[C@H](C[NH2+]CC[C@H]1CCCO1)COC[C@@H]1CCCO1 ZINC000038097087 174111154 /nfs/dbraw/zinc/11/11/54/174111154.db2.gz YJQDZMUYQKKJQZ-MCIONIFRSA-N 1 0 273.373 0.702 10 0 CCAERO CCC[C@H]([NH3+])C(=O)N1CCN(C(=O)OCC)CC1 ZINC000038100979 174116147 /nfs/dbraw/zinc/11/61/47/174116147.db2.gz NYPDBRIUGPKJPG-JTQLQIEISA-N 1 0 257.334 0.415 10 0 CCAERO CNc1ncnc(N(C)C2CC[NH+](C)CC2)c1N ZINC000040707134 174379521 /nfs/dbraw/zinc/37/95/21/174379521.db2.gz OZUCVDIQNRGSQE-UHFFFAOYSA-N 1 0 250.350 0.631 10 0 CCAERO Cc1nc2cc(NC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)ccc2o1 ZINC000040832723 174414317 /nfs/dbraw/zinc/41/43/17/174414317.db2.gz XORGYBKWLAWNQH-KOLCDFICSA-N 1 0 261.281 0.798 10 0 CCAERO O=C(NCc1ccccc1OC(F)F)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000040856635 174423815 /nfs/dbraw/zinc/42/38/15/174423815.db2.gz UFSCFKKTZCEYCS-UWVGGRQHSA-N 1 0 286.278 0.627 10 0 CCAERO COCc1csc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000662563417 414728804 /nfs/dbraw/zinc/72/88/04/414728804.db2.gz OISALXNYAXJNCR-VHSXEESVSA-N 1 0 270.354 0.205 10 0 CCAERO CN1C[C@@H](CNC(=O)CCC2CC[NH2+]CC2)CC1=O ZINC000662693223 414742072 /nfs/dbraw/zinc/74/20/72/414742072.db2.gz HNOCMPVJSSVFQK-GFCCVEGCSA-N 1 0 267.373 0.361 10 0 CCAERO Cc1c(C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)cnn1C ZINC000662977512 414932250 /nfs/dbraw/zinc/93/22/50/414932250.db2.gz KZAUPWODKQZWBP-QMMMGPOBSA-N 1 0 264.251 0.690 10 0 CCAERO CN(C(=O)c1ccn(C)c(=O)c1)[C@H](C[NH3+])C(F)(F)F ZINC000662978779 414932552 /nfs/dbraw/zinc/93/25/52/414932552.db2.gz SCBMIJCZWSGVQX-MRVPVSSYSA-N 1 0 277.246 0.347 10 0 CCAERO C[C@@H](C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)n1cncn1 ZINC000662982872 414933831 /nfs/dbraw/zinc/93/38/31/414933831.db2.gz GIFYOUBFSZCUBR-BQBZGAKWSA-N 1 0 265.239 0.187 10 0 CCAERO C[C@]1(C(F)F)CN(C(=O)[C@H]2C[NH2+]CCOC2)CCO1 ZINC000663001729 414942254 /nfs/dbraw/zinc/94/22/54/414942254.db2.gz ITKLPXFPFAYONX-JOYOIKCWSA-N 1 0 278.299 0.105 10 0 CCAERO C[C@@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C(N)=O)C[NH2+]1 ZINC000042406605 174712872 /nfs/dbraw/zinc/71/28/72/174712872.db2.gz QCRDAXMJBFZJRV-OUAUKWLOSA-N 1 0 253.346 0.241 10 0 CCAERO COc1ccc(S(=O)(=O)N(C)C[C@@H](C)C[NH3+])cc1 ZINC000042455438 174747181 /nfs/dbraw/zinc/74/71/81/174747181.db2.gz OINRGBYFVUEPHJ-JTQLQIEISA-N 1 0 272.370 0.911 10 0 CCAERO CC(C)N(CC1CC1)S(=O)(=O)N(C)CCC[NH3+] ZINC000042589176 174810722 /nfs/dbraw/zinc/81/07/22/174810722.db2.gz CHKZIXMTGJODIY-UHFFFAOYSA-N 1 0 263.407 0.632 10 0 CCAERO CNC(=O)[C@H]1CCCCN1C(=O)C1(C[NH3+])CCCC1 ZINC000044763977 175247682 /nfs/dbraw/zinc/24/76/82/175247682.db2.gz WCPFGRJOXLWHPM-LLVKDONJSA-N 1 0 267.373 0.633 10 0 CCAERO C[NH2+]C[C@H]1CCN(S(=O)(=O)C2CCOCC2)C1 ZINC000071144492 176041390 /nfs/dbraw/zinc/04/13/90/176041390.db2.gz ATJQNRNKNWVPEC-SNVBAGLBSA-N 1 0 262.375 0.037 10 0 CCAERO CC[NH2+]C[C@@H](O)Cn1cc(C(F)(F)F)ccc1=O ZINC000071212011 176083785 /nfs/dbraw/zinc/08/37/85/176083785.db2.gz NLQCSQNRCNTPGR-SECBINFHSA-N 1 0 264.247 0.838 10 0 CCAERO COCCN(CCC[NH3+])S(=O)(=O)c1cccc(F)c1 ZINC000071223157 176088433 /nfs/dbraw/zinc/08/84/33/176088433.db2.gz KQPUWFZIZOVYBU-UHFFFAOYSA-N 1 0 290.360 0.812 10 0 CCAERO CNC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1C[NH3+] ZINC000071263415 176096476 /nfs/dbraw/zinc/09/64/76/176096476.db2.gz NLRRWHNDFUUVAE-ZDUSSCGKSA-N 1 0 265.332 0.995 10 0 CCAERO CN(CC(=O)Nc1sccc1C(N)=O)[C@H]1CC[NH2+]C1 ZINC000071311392 176118436 /nfs/dbraw/zinc/11/84/36/176118436.db2.gz HYIMXJLJLLLIJH-QMMMGPOBSA-N 1 0 282.369 0.079 10 0 CCAERO C[C@H]1CCC[NH2+][C@@H]1CNS(=O)(=O)C1CCOCC1 ZINC000071339134 176129421 /nfs/dbraw/zinc/12/94/21/176129421.db2.gz MRRBNPTWQORXBY-CMPLNLGQSA-N 1 0 276.402 0.473 10 0 CCAERO CCNC(=O)CSc1nnc(C[NH3+])n1C(C)C ZINC000071374254 176139729 /nfs/dbraw/zinc/13/97/29/176139729.db2.gz ULSGHLVPAIUIHC-UHFFFAOYSA-N 1 0 257.363 0.546 10 0 CCAERO COC(=O)[C@H](C)Sc1nnc(C[NH3+])n1C1CC1 ZINC000071376391 176141323 /nfs/dbraw/zinc/14/13/23/176141323.db2.gz HOKRZUBLDBLHAE-LURJTMIESA-N 1 0 256.331 0.725 10 0 CCAERO COc1cc(OC)c(OC)cc1CN(C)C(=O)C[NH3+] ZINC000076705133 177064830 /nfs/dbraw/zinc/06/48/30/177064830.db2.gz UJBVPKLFAMPKJT-UHFFFAOYSA-N 1 0 268.313 0.630 10 0 CCAERO O[C@]1(CN2CCC(Oc3ccncc3)CC2)CC[NH2+]C1 ZINC000077320089 177251561 /nfs/dbraw/zinc/25/15/61/177251561.db2.gz WKKDISQIAQZFQH-OAHLLOKOSA-N 1 0 277.368 0.649 10 0 CCAERO OC[C@@H](O)C[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000078430212 177340892 /nfs/dbraw/zinc/34/08/92/177340892.db2.gz OJJZHBKDQWVINK-KBPBESRZSA-N 1 0 250.342 0.204 10 0 CCAERO CS(=O)(=O)N[C@H]1CC[NH2+]CC[C@@H]1C(F)(F)F ZINC000685945960 545872529 /nfs/dbraw/zinc/87/25/29/545872529.db2.gz HQONMZBOOMMECX-BQBZGAKWSA-N 1 0 260.281 0.466 10 0 CCAERO OCCN1CCN([C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000725241175 545873570 /nfs/dbraw/zinc/87/35/70/545873570.db2.gz ATDYVNBAPGEWBY-KBPBESRZSA-N 1 0 253.390 0.223 10 0 CCAERO Cc1ccnc(-n2cc(S(C)(=O)=O)cn2)c1C(N)=[NH2+] ZINC000725251011 545875876 /nfs/dbraw/zinc/87/58/76/545875876.db2.gz CKGQHASQXXWLBK-UHFFFAOYSA-N 1 0 279.325 0.263 10 0 CCAERO CS(=O)(=O)c1cnn(Cc2cccc(C[NH3+])c2)c1 ZINC000725251912 545876991 /nfs/dbraw/zinc/87/69/91/545876991.db2.gz HVGDUKOAWTYXKO-UHFFFAOYSA-N 1 0 265.338 0.794 10 0 CCAERO C[C@@H]1C[C@@H](n2cc(S(C)(=O)=O)cn2)C[C@H](C)[NH2+]1 ZINC000725252997 545877952 /nfs/dbraw/zinc/87/79/52/545877952.db2.gz QLENYAOINIBCHA-ILWJIGKKSA-N 1 0 257.359 0.988 10 0 CCAERO CC(C)(C)[C@H]([NH3+])[C@H](CO)n1cc(S(C)(=O)=O)cn1 ZINC000725251986 545877230 /nfs/dbraw/zinc/87/72/30/545877230.db2.gz JDQOMMXDIGCEKV-VHSXEESVSA-N 1 0 275.374 0.193 10 0 CCAERO CS(=O)(=O)c1cnn(-c2cnccc2C[NH3+])c1 ZINC000725251607 545877283 /nfs/dbraw/zinc/87/72/83/545877283.db2.gz CFSRCFASFIBZNE-UHFFFAOYSA-N 1 0 252.299 0.130 10 0 CCAERO Cc1ccc(C[NH3+])c(-n2cc(S(C)(=O)=O)cn2)n1 ZINC000725252857 545878780 /nfs/dbraw/zinc/87/87/80/545878780.db2.gz OWTYMJLXXSGVGK-UHFFFAOYSA-N 1 0 266.326 0.438 10 0 CCAERO CCC[NH2+][C@@H]1CCOC[C@H]1n1cc(S(C)(=O)=O)cn1 ZINC000725253247 545878812 /nfs/dbraw/zinc/87/88/12/545878812.db2.gz SDYKUQGNENVJHQ-VXGBXAGGSA-N 1 0 287.385 0.616 10 0 CCAERO COCCNC(=O)N[C@@H]1CC[NH2+]CC[C@H]1C(F)(F)F ZINC000725262899 545883850 /nfs/dbraw/zinc/88/38/50/545883850.db2.gz RHUPTMWCONYEKR-RKDXNWHRSA-N 1 0 283.294 0.863 10 0 CCAERO CC(C)[C@@H](C)C(=O)NC[C@H]1OC(=O)CC12C[NH2+]C2 ZINC000725263299 545882994 /nfs/dbraw/zinc/88/29/94/545882994.db2.gz GVPYHFMWDAXHLY-NXEZZACHSA-N 1 0 254.330 0.300 10 0 CCAERO C[C@@H]1C[NH2+]CCN1[C@@H]1CC(=O)N[C@@H](C(F)(F)F)C1 ZINC000725263036 545883745 /nfs/dbraw/zinc/88/37/45/545883745.db2.gz FUNXLXVICRCRRP-HRDYMLBCSA-N 1 0 265.279 0.490 10 0 CCAERO CCN1CC[C@@H]([NH3+])C12C[C@H]1CC[C@@H](C2)S1(=O)=O ZINC000725266034 545886528 /nfs/dbraw/zinc/88/65/28/545886528.db2.gz PSTWHGQMMAKDMB-FBTJUVTCSA-N 1 0 258.387 0.518 10 0 CCAERO C[NH2+][C@H](C)C(=O)N[C@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000054072683 544441309 /nfs/dbraw/zinc/44/13/09/544441309.db2.gz QQFWLENWTRJXRG-HTQZYQBOSA-N 1 0 262.313 0.641 10 0 CCAERO CCN(CC(=O)N(C)C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054291410 544443537 /nfs/dbraw/zinc/44/35/37/544443537.db2.gz JTSFAYZOYWUPCI-LLVKDONJSA-N 1 0 255.362 0.313 10 0 CCAERO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2ccc(N)cc2F)C1 ZINC000062965287 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NC(=O)CN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)C1CCCC1 ZINC000091542271 544527780 /nfs/dbraw/zinc/52/77/80/544527780.db2.gz MXWUQOINHMBFOB-ZJUUUORDSA-N 1 0 253.346 0.370 10 0 CCAERO Cn1cc(C[N@@H+]2CCCN(Cc3cncnc3)CC2)cn1 ZINC000121539658 544577386 /nfs/dbraw/zinc/57/73/86/544577386.db2.gz SQURQQOHBHNTKR-UHFFFAOYSA-N 1 0 286.383 0.918 10 0 CCAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C(=O)N1CCCC1 ZINC000135364581 544635677 /nfs/dbraw/zinc/63/56/77/544635677.db2.gz CCJGRSLMJBTTLW-QJPTWQEYSA-N 1 0 267.373 0.489 10 0 CCAERO C[C@@]1(CNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)CCCO1 ZINC000133203172 544625467 /nfs/dbraw/zinc/62/54/67/544625467.db2.gz HPVOJMGCDDJKFR-HIFRSBDPSA-N 1 0 299.415 0.702 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H](C)c1nnc2n1CCC2 ZINC000136321981 544637982 /nfs/dbraw/zinc/63/79/82/544637982.db2.gz IYSINJVGHZUCJB-NXEZZACHSA-N 1 0 265.361 0.775 10 0 CCAERO Cc1csc(CCNC(=O)C2(C[NH3+])CCOCC2)n1 ZINC000138186743 544642123 /nfs/dbraw/zinc/64/21/23/544642123.db2.gz BDCJVWAHAIVMDP-UHFFFAOYSA-N 1 0 283.397 0.866 10 0 CCAERO Cc1cnn(C[C@@H]2CN(C(=O)[C@@H]3CCC[C@@H]3[NH3+])CCO2)c1 ZINC000168239791 544729844 /nfs/dbraw/zinc/72/98/44/544729844.db2.gz HTAHNSFKGWSSOF-MJBXVCDLSA-N 1 0 292.383 0.546 10 0 CCAERO C[C@@H]1C[C@H](NC(=O)N2C[C@@H](C)[C@H](CO)C2)C[N@@H+]1C1CC1 ZINC000189506954 544790576 /nfs/dbraw/zinc/79/05/76/544790576.db2.gz WIIICHRPDKNYSA-NDBYEHHHSA-N 1 0 281.400 0.881 10 0 CCAERO Cc1c(C[NH2+]CC(=O)NC2CCCC2)cnn1C ZINC000229810015 544850298 /nfs/dbraw/zinc/85/02/98/544850298.db2.gz MFXVNAOAWTYAJF-UHFFFAOYSA-N 1 0 250.346 0.877 10 0 CCAERO CCN(C)C(=O)[C@@H](C)NC(=O)C1CCC([NH3+])CC1 ZINC000231854544 544861957 /nfs/dbraw/zinc/86/19/57/544861957.db2.gz RJJXDZXIZZUDJI-KPPDAEKUSA-N 1 0 255.362 0.487 10 0 CCAERO c1ccc(-n2nnnc2NC[C@H]2COCC[NH2+]2)cc1 ZINC000232555933 544863827 /nfs/dbraw/zinc/86/38/27/544863827.db2.gz PGEQSCBXCDSGTJ-JTQLQIEISA-N 1 0 260.301 0.063 10 0 CCAERO c1ccc(-n2nnnc2NC[C@@H]2COCC[NH2+]2)cc1 ZINC000232450731 544864778 /nfs/dbraw/zinc/86/47/78/544864778.db2.gz 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Cc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1F ZINC000262293315 544942729 /nfs/dbraw/zinc/94/27/29/544942729.db2.gz OWUCGPRKBANOHE-PWSUYJOCSA-N 1 0 252.289 0.444 10 0 CCAERO CC[C@@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)CCO1 ZINC000333764024 545042648 /nfs/dbraw/zinc/04/26/48/545042648.db2.gz AXBQMHISAGTKHY-NWDGAFQWSA-N 1 0 255.362 0.949 10 0 CCAERO CC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCCC(=O)N2)CC1 ZINC000333953034 545044515 /nfs/dbraw/zinc/04/45/15/545044515.db2.gz CZIGMDLJEMIKBM-RYUDHWBXSA-N 1 0 267.373 0.598 10 0 CCAERO C[N@H+](C[C@@H]1CCC[C@H](O)C1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000311507267 545012540 /nfs/dbraw/zinc/01/25/40/545012540.db2.gz GMHUFNQUUTWGTM-AGIUHOORSA-N 1 0 290.429 0.503 10 0 CCAERO CC(C)(C)[C@H](O)CNC(=O)COC1CC[NH2+]CC1 ZINC000324340590 545016638 /nfs/dbraw/zinc/01/66/38/545016638.db2.gz MPSRKBCTEWFFLN-LLVKDONJSA-N 1 0 258.362 0.278 10 0 CCAERO C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000329668437 545024817 /nfs/dbraw/zinc/02/48/17/545024817.db2.gz LWWNAWBXAUIJHO-QWHCGFSZSA-N 1 0 277.372 0.611 10 0 CCAERO C[C@@H]1C[C@@H](O)CN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000333968428 545045150 /nfs/dbraw/zinc/04/51/50/545045150.db2.gz SWMMZKYTOZTIPC-YRGRVCCFSA-N 1 0 281.400 0.883 10 0 CCAERO CO[C@H]1C[C@@H](C(=O)NC[C@H]2CCO[C@H]2C(C)C)N(C)C1 ZINC000332771983 545033534 /nfs/dbraw/zinc/03/35/34/545033534.db2.gz UCZQLHCKEAVJLN-RFGFWPKPSA-N 1 0 284.400 0.883 10 0 CCAERO C[C@@H]1OCC[C@H]1NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000332768562 545033616 /nfs/dbraw/zinc/03/36/16/545033616.db2.gz ZYABURFZQVZRJN-DMDPSCGWSA-N 1 0 287.429 0.900 10 0 CCAERO CN1CCO[C@H](CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000332790059 545033908 /nfs/dbraw/zinc/03/39/08/545033908.db2.gz UXQOADBQVSRXKL-HZSPNIEDSA-N 1 0 296.415 0.243 10 0 CCAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1CCCNC1=O ZINC000332826812 545034819 /nfs/dbraw/zinc/03/48/19/545034819.db2.gz LAJGRBJUEAHBIN-NWDGAFQWSA-N 1 0 282.388 0.439 10 0 CCAERO O=C(NC[C@@H]1CCC[C@@H]1O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000333552659 545040025 /nfs/dbraw/zinc/04/00/25/545040025.db2.gz JSRBIOMBXNIEHK-GVXVVHGQSA-N 1 0 293.371 0.093 10 0 CCAERO CCn1cc(CNC(=O)N[C@@H]2CCCC[NH2+]C2)cn1 ZINC000333540277 545040099 /nfs/dbraw/zinc/04/00/99/545040099.db2.gz JEOAWNQEENPGCL-GFCCVEGCSA-N 1 0 265.361 0.844 10 0 CCAERO COc1ccc2c(c1)CCN2C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000154062430 274123921 /nfs/dbraw/zinc/12/39/21/274123921.db2.gz VEIXHCYWKUGHBR-PWSUYJOCSA-N 1 0 262.309 0.307 10 0 CCAERO C[C@@H]([NH3+])C(=O)Nc1ccncc1I ZINC000272424903 274234587 /nfs/dbraw/zinc/23/45/87/274234587.db2.gz IEWULXGMUSAXQN-RXMQYKEDSA-N 1 0 291.092 0.972 10 0 CCAERO c1nnc2c(N3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)nccn12 ZINC000333842776 275078169 /nfs/dbraw/zinc/07/81/69/275078169.db2.gz LPZRCBAEYFICIY-NWDGAFQWSA-N 1 0 272.356 0.950 10 0 CCAERO CC1(C)SC[C@H]1NC(=O)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000334957795 275884262 /nfs/dbraw/zinc/88/42/62/275884262.db2.gz RMKCINMQXMFJQZ-NXEZZACHSA-N 1 0 299.440 0.582 10 0 CCAERO CC[N@H+](CCNC(=O)N[C@@H]1CCc2ncnn2C1)C1CC1 ZINC000112747798 276127919 /nfs/dbraw/zinc/12/79/19/276127919.db2.gz UJISYVKIMRFLHH-LLVKDONJSA-N 1 0 292.387 0.376 10 0 CCAERO CC1=C[C@@H](C)CN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000335196739 276183611 /nfs/dbraw/zinc/18/36/11/276183611.db2.gz MMAVVTVFDGBUOS-MLGOLLRUSA-N 1 0 291.395 0.766 10 0 CCAERO CCN1C[C@@H](NC(=O)[C@]2(C)CCCC[NH2+]2)CC1=O ZINC000335437440 276243613 /nfs/dbraw/zinc/24/36/13/276243613.db2.gz WCNRHRQXMQPYID-GWCFXTLKSA-N 1 0 253.346 0.256 10 0 CCAERO CCOC(=O)N1CCC[C@@H](C(=O)NCC[C@@H](C)[NH3+])C1 ZINC000178616066 276433549 /nfs/dbraw/zinc/43/35/49/276433549.db2.gz VMORJHIVUIJKAX-GHMZBOCLSA-N 1 0 271.361 0.708 10 0 CCAERO C[C@H]1[C@H]([NH3+])CCN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000379943035 545084268 /nfs/dbraw/zinc/08/42/68/545084268.db2.gz CKBZSELDNMHREV-IONNQARKSA-N 1 0 296.352 0.379 10 0 CCAERO CC(=O)N1CSC[C@@H]1C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000261628624 277014687 /nfs/dbraw/zinc/01/46/87/277014687.db2.gz AVBMVFPGYPEOHA-DVVUODLYSA-N 1 0 271.386 0.104 10 0 CCAERO C[NH2+]CCN(C)C(=O)[C@@H]1CCCN1C(=O)C1CCCC1 ZINC000237304507 277023743 /nfs/dbraw/zinc/02/37/43/277023743.db2.gz GEEJHTMCWQFIPA-ZDUSSCGKSA-N 1 0 281.400 0.845 10 0 CCAERO COC(=O)C[C@@H](C)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000177051235 277064375 /nfs/dbraw/zinc/06/43/75/277064375.db2.gz TYJIVWLBADNJQN-LLVKDONJSA-N 1 0 268.357 0.882 10 0 CCAERO C[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000332727315 277080365 /nfs/dbraw/zinc/08/03/65/277080365.db2.gz VFFIEHPRVIJIRJ-RYUDHWBXSA-N 1 0 294.399 0.581 10 0 CCAERO COC(=O)[C@H](CC(C)C)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000352064030 277119186 /nfs/dbraw/zinc/11/91/86/277119186.db2.gz SPJWKZVEOUESHQ-KBPBESRZSA-N 1 0 284.400 0.981 10 0 CCAERO CNC(=O)CC1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000119250124 277224549 /nfs/dbraw/zinc/22/45/49/277224549.db2.gz PMGAZOADTWEYIW-LBPRGKRZSA-N 1 0 267.373 0.503 10 0 CCAERO C[C@@H]1CC2(CN1C(=O)[C@H]1CNC(=O)C1)CC[NH2+]CC2 ZINC000333360811 277668346 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O=C(NC[C@@H](O)C[NH+]1CCCCC1)NC[C@H]1CCCO1 ZINC000192804127 534537897 /nfs/dbraw/zinc/53/78/97/534537897.db2.gz MYXPBMQZGJKKSD-CHWSQXEVSA-N 1 0 285.388 0.311 10 0 CCAERO CCNC(=O)NC(=O)[C@H](C)N[C@H](C)CC[NH+](C)C ZINC000049557550 521742188 /nfs/dbraw/zinc/74/21/88/521742188.db2.gz QQBSPJQLSXHTCR-ZJUUUORDSA-N 1 0 258.366 0.150 10 0 CCAERO C[NH+](C)CCN1CCN(C(=O)c2sccc2N)CC1 ZINC000061642101 521761520 /nfs/dbraw/zinc/76/15/20/521761520.db2.gz HIQGVSXBYJVTTM-UHFFFAOYSA-N 1 0 282.413 0.650 10 0 CCAERO COCC[C@@H]([NH3+])C(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000052791118 521827973 /nfs/dbraw/zinc/82/79/73/521827973.db2.gz URWXJMCUTODOHS-LLVKDONJSA-N 1 0 286.353 0.392 10 0 CCAERO COCC[C@@H]([NH3+])C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000052791666 521829694 /nfs/dbraw/zinc/82/96/94/521829694.db2.gz MPDDIPQEJVRHAM-MRVPVSSYSA-N 1 0 264.285 0.159 10 0 CCAERO C[NH2+]CCS(=O)(=O)N(C)Cc1ccccc1OC ZINC000049630315 522010902 /nfs/dbraw/zinc/01/09/02/522010902.db2.gz KVZYXQVVWWRXCH-UHFFFAOYSA-N 1 0 272.370 0.676 10 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ZINC000171639273 350923127 /nfs/dbraw/zinc/92/31/27/350923127.db2.gz NXCAEFDDSUIICY-CYBMUJFWSA-N 1 0 267.373 0.015 10 0 CCAERO Cc1cc(NC(=O)CN2CC[N@@H+]3CCC[C@@H]3C2)no1 ZINC000171642592 350924402 /nfs/dbraw/zinc/92/44/02/350924402.db2.gz UPQZKTZVKNJWOZ-LLVKDONJSA-N 1 0 264.329 0.702 10 0 CCAERO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)NC2CC2)CC1 ZINC000171744000 350931601 /nfs/dbraw/zinc/93/16/01/350931601.db2.gz WPKUOCRUGCYDIB-CQSZACIVSA-N 1 0 280.416 0.960 10 0 CCAERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2)C1 ZINC000170866781 350869834 /nfs/dbraw/zinc/86/98/34/350869834.db2.gz YPLVCBATKFSQPU-GFCCVEGCSA-N 1 0 261.325 0.788 10 0 CCAERO CCC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170865174 350869984 /nfs/dbraw/zinc/86/99/84/350869984.db2.gz APFOUMQNZJQYKJ-QWHCGFSZSA-N 1 0 281.400 0.940 10 0 CCAERO Cn1ncc(C(=O)N2CC[C@H]([NH+](C)C)C2)c1-n1cccc1 ZINC000170867986 350870858 /nfs/dbraw/zinc/87/08/58/350870858.db2.gz IAJRIBGEKNAZIF-LBPRGKRZSA-N 1 0 287.367 0.987 10 0 CCAERO Cn1cc(CCCNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000171906758 350942778 /nfs/dbraw/zinc/94/27/78/350942778.db2.gz VBVXVVURZHDAEV-AWEZNQCLSA-N 1 0 291.399 0.842 10 0 CCAERO CC(C)(C)C(=O)NCCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171906086 350943024 /nfs/dbraw/zinc/94/30/24/350943024.db2.gz DQBCJVKKXLIATF-LBPRGKRZSA-N 1 0 296.415 0.638 10 0 CCAERO COC[C@@H](O)C[N@@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000171973397 350949090 /nfs/dbraw/zinc/94/90/90/350949090.db2.gz DUXONJJRGJOEDO-KGLIPLIRSA-N 1 0 282.388 0.614 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCCC(=O)NC(N)=O ZINC000172083130 350957447 /nfs/dbraw/zinc/95/74/47/350957447.db2.gz UZTIGDLPUDWXGU-GHMZBOCLSA-N 1 0 268.361 0.130 10 0 CCAERO CCc1nnc(CN2CC[C@@H](C[NH+]3CCOCC3)C2)n1C ZINC000172936558 351018185 /nfs/dbraw/zinc/01/81/85/351018185.db2.gz ORGYFMBSPHPMCL-ZDUSSCGKSA-N 1 0 293.415 0.532 10 0 CCAERO Cn1cccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1=O ZINC000173469582 351040722 /nfs/dbraw/zinc/04/07/22/351040722.db2.gz VDJLONGJCCARFF-LLVKDONJSA-N 1 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/nfs/dbraw/zinc/19/11/66/351191166.db2.gz NAWRRWAAVSXOFA-OAHLLOKOSA-N 1 0 297.443 0.896 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCN1C(=O)CCC1=O ZINC000176998072 351191326 /nfs/dbraw/zinc/19/13/26/351191326.db2.gz IQMGRHHSOKPQAR-GFCCVEGCSA-N 1 0 295.383 0.468 10 0 CCAERO CCNC(=O)C(C)(C)CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178737567 351243682 /nfs/dbraw/zinc/24/36/82/351243682.db2.gz UUSABSLYABFSHT-GFCCVEGCSA-N 1 0 296.415 0.638 10 0 CCAERO CCOCCC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000177448259 351204063 /nfs/dbraw/zinc/20/40/63/351204063.db2.gz XJKGSTFRXUKDAT-CYBMUJFWSA-N 1 0 286.416 0.964 10 0 CCAERO CC(C)n1nnnc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177769876 351211990 /nfs/dbraw/zinc/21/19/90/351211990.db2.gz JSCZGMNHRIDPKL-GFCCVEGCSA-N 1 0 264.377 0.924 10 0 CCAERO O[C@H](Cn1cccn1)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177769358 351212392 /nfs/dbraw/zinc/21/23/92/351212392.db2.gz JKTOCYKPJUGNHP-KGLIPLIRSA-N 1 0 264.373 0.414 10 0 CCAERO COC(=O)[C@@]1(C)CC[N@@H+]([C@@H]2CCCCNC2=O)C1 ZINC000179218498 351262031 /nfs/dbraw/zinc/26/20/31/351262031.db2.gz ZDHBEIBOCXDQPE-MFKMUULPSA-N 1 0 254.330 0.540 10 0 CCAERO [NH3+]C1(C(=O)N2CCC[C@@H](n3cncn3)C2)CCCC1 ZINC000178114181 351220208 /nfs/dbraw/zinc/22/02/08/351220208.db2.gz PSKVJEKWZJCDBL-LLVKDONJSA-N 1 0 263.345 0.713 10 0 CCAERO COC[C@@H](O)C[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178290592 351226994 /nfs/dbraw/zinc/22/69/94/351226994.db2.gz YRKPFTKBBFBRGZ-OLZOCXBDSA-N 1 0 253.346 0.663 10 0 CCAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCNS(C)(=O)=O ZINC000178309982 351227007 /nfs/dbraw/zinc/22/70/07/351227007.db2.gz OCLTYRDWGAAAHD-LBPRGKRZSA-N 1 0 286.401 0.205 10 0 CCAERO O=C(CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1)NCC1CC1 ZINC000183787207 351391889 /nfs/dbraw/zinc/39/18/89/351391889.db2.gz SWGBGORABSYSNH-ZDUSSCGKSA-N 1 0 294.399 0.392 10 0 CCAERO Cc1nccc(N2CCN(C(=O)C[C@H](O)C(C)C)CC2)n1 ZINC000184945488 351426872 /nfs/dbraw/zinc/42/68/72/351426872.db2.gz SOICGJBKKILJDL-ZDUSSCGKSA-N 1 0 292.383 0.841 10 0 CCAERO CC(C)[C@@](C)(O)C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000184966598 351428582 /nfs/dbraw/zinc/42/85/82/351428582.db2.gz FXEWVNKLTYICGS-AWEZNQCLSA-N 1 0 269.389 0.883 10 0 CCAERO CCCC(=O)NCC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186556359 351503370 /nfs/dbraw/zinc/50/33/70/351503370.db2.gz FGEDWODIUJFLSQ-NSHDSACASA-N 1 0 267.373 0.646 10 0 CCAERO Clc1cnc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)s1 ZINC000415137121 233704054 /nfs/dbraw/zinc/70/40/54/233704054.db2.gz DZQKLWSTXSZSEL-JGVFFNPUSA-N 1 0 259.762 0.969 10 0 CCAERO CCCCCN(CCO)C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188981010 351643799 /nfs/dbraw/zinc/64/37/99/351643799.db2.gz STAOONSQFOXLJR-UHFFFAOYSA-N 1 0 280.372 0.680 10 0 CCAERO Cc1ccn(C)c1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000189823226 351704030 /nfs/dbraw/zinc/70/40/30/351704030.db2.gz UHEZEYMSEMYLQY-GFCCVEGCSA-N 1 0 265.357 0.736 10 0 CCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H](O)c2cccc(C)c2)C1 ZINC000189296269 351666270 /nfs/dbraw/zinc/66/62/70/351666270.db2.gz AGVGSIUZSCEWTG-BFHYXJOUSA-N 1 0 278.352 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CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1nccnc1N ZINC000176976039 189017849 /nfs/dbraw/zinc/01/78/49/189017849.db2.gz ZLQGKAXFPQUTBU-JTQLQIEISA-N 1 0 263.345 0.615 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccn(C)c(=O)c1 ZINC000177010980 189020654 /nfs/dbraw/zinc/02/06/54/189020654.db2.gz ALPXCTMOZQIOJW-ZDUSSCGKSA-N 1 0 277.368 0.942 10 0 CCAERO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000178517529 189123173 /nfs/dbraw/zinc/12/31/73/189123173.db2.gz VPRXOJPTXUUOCA-CYBMUJFWSA-N 1 0 288.351 0.635 10 0 CCAERO COC(=O)[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)c1ccccc1 ZINC000595925418 360706724 /nfs/dbraw/zinc/70/67/24/360706724.db2.gz RFINDMAIKKIGCK-IJLUTSLNSA-N 1 0 262.309 0.754 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cn(C)c(=O)n(C)c1=O ZINC000179559206 189202246 /nfs/dbraw/zinc/20/22/46/189202246.db2.gz YMKNMAYRZSKJSI-ZDUSSCGKSA-N 1 0 294.399 0.000 10 0 CCAERO NC(=O)[C@H](O)C1CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000299752758 200857669 /nfs/dbraw/zinc/85/76/69/200857669.db2.gz VIWUXWLTNDVEDS-HUUCEWRRSA-N 1 0 292.379 0.148 10 0 CCAERO [NH3+][C@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2cnnn2)cc1 ZINC000038049657 283621473 /nfs/dbraw/zinc/62/14/73/283621473.db2.gz XENDWVOOOYPGNB-STQMWFEESA-N 1 0 286.339 0.662 10 0 CCAERO O=C(c1ccc(OCC(F)F)nc1)N1CC[NH2+]CC1 ZINC000181354803 189294204 /nfs/dbraw/zinc/29/42/04/189294204.db2.gz YKIBPLKFBXOZBQ-UHFFFAOYSA-N 1 0 271.267 0.771 10 0 CCAERO C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000261771636 283651677 /nfs/dbraw/zinc/65/16/77/283651677.db2.gz PITOGKKWJCHOLO-WDEREUQCSA-N 1 0 267.373 0.502 10 0 CCAERO CNC(=O)[C@H]1CN(Cc2cnc3cc(C)ccn23)CCO1 ZINC000182480807 189325742 /nfs/dbraw/zinc/32/57/42/189325742.db2.gz JTOCOINRXRNSBM-CYBMUJFWSA-N 1 0 288.351 0.590 10 0 CCAERO CCc1nsc(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000301633325 201107892 /nfs/dbraw/zinc/10/78/92/201107892.db2.gz DHUKLPWOYHINPA-IUCAKERBSA-N 1 0 254.359 0.620 10 0 CCAERO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(N)=O)[C@@H]1CCCO1 ZINC000183141407 189347930 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Cc1n[nH]c(C)c1S(=O)(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631967497 370795685 /nfs/dbraw/zinc/79/56/85/370795685.db2.gz IRSMFXBPHYLLCH-XCBNKYQSSA-N 1 0 272.374 0.242 10 0 CCAERO Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631967776 370796598 /nfs/dbraw/zinc/79/65/98/370796598.db2.gz MWPOQOAINXSOAS-KCJUWKMLSA-N 1 0 286.401 0.252 10 0 CCAERO [NH3+]C[C@@H]1COCCN(S(=O)(=O)c2ccccc2)C1 ZINC000616663103 365415746 /nfs/dbraw/zinc/41/57/46/365415746.db2.gz HGCVTICKRNNWCR-NSHDSACASA-N 1 0 270.354 0.282 10 0 CCAERO CC(C)(C)OC(=O)NCC[N@@H+]1CC[C@H](C(N)=O)C1 ZINC000616611143 365385182 /nfs/dbraw/zinc/38/51/82/365385182.db2.gz APXVMKFJXKWCBH-VIFPVBQESA-N 1 0 257.334 0.318 10 0 CCAERO NS(=O)(=O)[C@H]1CCc2ccccc2N1CC[NH3+] ZINC000616669895 365420440 /nfs/dbraw/zinc/42/04/40/365420440.db2.gz SIOSGXYXJVIHJM-NSHDSACASA-N 1 0 255.343 0.013 10 0 CCAERO NS(=O)(=O)N1CC[NH2+][C@H](c2ccc3cccnc3c2)C1 ZINC000616635048 365393277 /nfs/dbraw/zinc/39/32/77/365393277.db2.gz 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COCCC(=O)N[C@H]1C[NH2+]CC[C@H]1C(F)(F)F ZINC000616570605 411840784 /nfs/dbraw/zinc/84/07/84/411840784.db2.gz HCALPWOTQQJNGE-SFYZADRCSA-N 1 0 254.252 0.680 10 0 CCAERO CO[C@@H]1C[C@@H](CO)[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000284561921 196085004 /nfs/dbraw/zinc/08/50/04/196085004.db2.gz INMKKBTZBGQUJH-ARFHVFGLSA-N 1 0 295.379 0.646 10 0 CCAERO NC(=O)[C@H]1CCCN1C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000020294894 171135111 /nfs/dbraw/zinc/13/51/11/171135111.db2.gz YUNPGZZUSXYBBD-NWDGAFQWSA-N 1 0 261.325 0.553 10 0 CCAERO C[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)C(N)=O ZINC000020309469 171143594 /nfs/dbraw/zinc/14/35/94/171143594.db2.gz VVKBVUHMYPTIBT-SECBINFHSA-N 1 0 250.298 0.464 10 0 CCAERO C[C@H]([NH3+])c1cccc(O[C@@H](C)C(=O)NC(N)=O)c1 ZINC000020419775 171185181 /nfs/dbraw/zinc/18/51/81/171185181.db2.gz NNAIGSBTQFBTCJ-YUMQZZPRSA-N 1 0 251.286 0.669 10 0 CCAERO [NH3+]CC1(NS(=O)(=O)N2CCOCC2)CCCCCC1 ZINC000020431659 171196595 /nfs/dbraw/zinc/19/65/95/171196595.db2.gz NRRPOGVOTOQFTM-UHFFFAOYSA-N 1 0 291.417 0.205 10 0 CCAERO CN(CCCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)c1ccccc1 ZINC000020434018 171198908 /nfs/dbraw/zinc/19/89/08/171198908.db2.gz OKTANNGULCHCPJ-KGLIPLIRSA-N 1 0 277.368 0.352 10 0 CCAERO O=C(Nc1cccc2ncccc21)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000020434035 171199216 /nfs/dbraw/zinc/19/92/16/171199216.db2.gz OHYQWLYOCJANTP-RNCFNFMXSA-N 1 0 257.293 0.896 10 0 CCAERO COc1ccc(C)cc1NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000020434174 171199962 /nfs/dbraw/zinc/19/99/62/171199962.db2.gz KUBLKNFZTLGASB-ONGXEEELSA-N 1 0 250.298 0.665 10 0 CCAERO COC(=O)[C@@H](C[NH3+])Cc1cc(OC)cc(OC)c1 ZINC000020579205 171256788 /nfs/dbraw/zinc/25/67/88/171256788.db2.gz CCKJOYBZOWMHQG-SNVBAGLBSA-N 1 0 253.298 0.994 10 0 CCAERO NC(=O)[C@]1(O)CCC[N@H+](Cc2ccccc2F)C1 ZINC000284722731 196119327 /nfs/dbraw/zinc/11/93/27/196119327.db2.gz BVQVQMUKJPBORM-ZDUSSCGKSA-N 1 0 252.289 0.638 10 0 CCAERO Cc1cc(S(=O)(=O)NCC[NH+](C)C)cc(N)c1C ZINC000021817612 171333132 /nfs/dbraw/zinc/33/31/32/171333132.db2.gz WSTCOPSOUUJXBG-UHFFFAOYSA-N 1 0 271.386 0.726 10 0 CCAERO C[n+]1ccn(S(=O)(=O)OCC(Cl)(Cl)Cl)c1 ZINC000022067216 171352139 /nfs/dbraw/zinc/35/21/39/171352139.db2.gz FEPVBYHVLYEJML-UHFFFAOYSA-N 1 0 294.567 0.792 10 0 in-vitro CCAERO CN1CCN(C(=O)COc2ccc(C[NH3+])cc2)CC1 ZINC000022144074 171355922 /nfs/dbraw/zinc/35/59/22/171355922.db2.gz FERXKYBRBNEQSY-UHFFFAOYSA-N 1 0 263.341 0.298 10 0 CCAERO CO[C@H]1C[C@@H](CN(C)Cc2nccc(N)n2)[N@H+](C)C1 ZINC000284780042 196130105 /nfs/dbraw/zinc/13/01/05/196130105.db2.gz IOBZFRYEQAMSHO-QWRGUYRKSA-N 1 0 265.361 0.210 10 0 CCAERO CCCNC(=O)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653060773 412205230 /nfs/dbraw/zinc/20/52/30/412205230.db2.gz RCPVLVBSEKSDDD-HTQZYQBOSA-N 1 0 281.278 0.027 10 0 CCAERO Cn1nccc1NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653065928 412207931 /nfs/dbraw/zinc/20/79/31/412207931.db2.gz ZPUNYYNNZHHEBX-RNFRBKRXSA-N 1 0 262.235 0.757 10 0 CCAERO Cn1cc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)ccc1=O ZINC000653070433 412208583 /nfs/dbraw/zinc/20/85/83/412208583.db2.gz VZZVCWXTYVPACT-RKDXNWHRSA-N 1 0 289.257 0.722 10 0 CCAERO O=C(N[C@H]1CCCOC1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653085931 412212936 /nfs/dbraw/zinc/21/29/36/412212936.db2.gz BDAXQUZLBBIKRY-DJLDLDEBSA-N 1 0 266.263 0.680 10 0 CCAERO NC(=O)[C@]1(O)CC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000284847019 196143123 /nfs/dbraw/zinc/14/31/23/196143123.db2.gz CLVJTTPDBPJQPO-HNNXBMFYSA-N 1 0 271.320 0.657 10 0 CCAERO C[C@@H]([NH2+][C@H]1CCS(=O)(=O)C1)C(=O)N1CCCCC1 ZINC000034936768 171896740 /nfs/dbraw/zinc/89/67/40/171896740.db2.gz OAUPBFPJQRUGKX-MNOVXSKESA-N 1 0 274.386 0.164 10 0 CCAERO [NH3+]CCNc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000035353104 172143648 /nfs/dbraw/zinc/14/36/48/172143648.db2.gz DLTZESJAJJPNNY-UHFFFAOYSA-N 1 0 255.343 0.498 10 0 CCAERO C[NH+](C)CCCNc1cc2nc[nH]c(=O)c2cc1N ZINC000035383097 172165811 /nfs/dbraw/zinc/16/58/11/172165811.db2.gz VMABDXJLKAZQGT-UHFFFAOYSA-N 1 0 261.329 0.869 10 0 CCAERO C[NH2+]Cc1cccc(OC)c1OC[C@H](C)C(N)=O ZINC000035413454 172186018 /nfs/dbraw/zinc/18/60/18/172186018.db2.gz FZWYYHMZKRMBQY-VIFPVBQESA-N 1 0 252.314 0.915 10 0 CCAERO C[C@@H]1CN(S(=O)(=O)c2ccc(CC[NH3+])s2)CCO1 ZINC000035679174 172349772 /nfs/dbraw/zinc/34/97/72/172349772.db2.gz IFUYEGKHWYMOBH-SECBINFHSA-N 1 0 290.410 0.659 10 0 CCAERO CCN(CC)S(=O)(=O)N[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000035691656 172359846 /nfs/dbraw/zinc/35/98/46/172359846.db2.gz GCTAIIXWPCEKDV-QWRGUYRKSA-N 1 0 263.407 0.693 10 0 CCAERO CN(Cc1ccco1)C(=O)C(=O)N1CCC[NH2+]CC1 ZINC000035716473 172370373 /nfs/dbraw/zinc/37/03/73/172370373.db2.gz ZSXMXCOXZHDAAH-UHFFFAOYSA-N 1 0 265.313 0.060 10 0 CCAERO C[C@H](OCCCO)C(=O)Nc1ccccc1C[NH3+] ZINC000035727576 172380684 /nfs/dbraw/zinc/38/06/84/172380684.db2.gz RIIIURCVHCMGBI-JTQLQIEISA-N 1 0 252.314 0.871 10 0 CCAERO CCOC(=O)C(=O)N1C[C@H](C)N(CCC[NH+](C)C)[C@@H](C)C1 ZINC000036125152 172444869 /nfs/dbraw/zinc/44/48/69/172444869.db2.gz AGGXOEIPXRPGGG-STQMWFEESA-N 1 0 299.415 0.422 10 0 CCAERO CO[C@H]1C[NH2+]C[C@@H]1NC(=O)c1c(F)cccc1F ZINC000036236174 172533091 /nfs/dbraw/zinc/53/30/91/172533091.db2.gz YHHDCARYYWDKLN-UWVGGRQHSA-N 1 0 256.252 0.681 10 0 CCAERO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CSC(=O)N1 ZINC000036256706 172548983 /nfs/dbraw/zinc/54/89/83/172548983.db2.gz AIDOTSSMGIAAQX-RKDXNWHRSA-N 1 0 269.370 0.602 10 0 CCAERO Cn1ccc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000285626389 196348072 /nfs/dbraw/zinc/34/80/72/196348072.db2.gz DTAWKLRPZKHQCX-QWHCGFSZSA-N 1 0 263.341 0.570 10 0 CCAERO [NH3+]C1CCC(C(=O)NC2CCS(=O)(=O)CC2)CC1 ZINC000037626501 173576578 /nfs/dbraw/zinc/57/65/78/173576578.db2.gz ZERWLWZAPZEMAD-UHFFFAOYSA-N 1 0 274.386 0.197 10 0 CCAERO CCOC(=O)[C@@H]1CSCCN1C(=O)C1([NH3+])CCCC1 ZINC000037803916 173743703 /nfs/dbraw/zinc/74/37/03/173743703.db2.gz UZCRRFSFBMKWTF-JTQLQIEISA-N 1 0 286.397 0.765 10 0 CCAERO CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000037815915 173765462 /nfs/dbraw/zinc/76/54/62/173765462.db2.gz DIFJGROXFUXDTM-OCCSQVGLSA-N 1 0 278.352 0.767 10 0 CCAERO CC(C)[NH2+]CCC(=O)N1CCC[C@@H](CNC(N)=O)C1 ZINC000037820946 173773897 /nfs/dbraw/zinc/77/38/97/173773897.db2.gz MYIVNILEOGRHGV-NSHDSACASA-N 1 0 270.377 0.281 10 0 CCAERO NC(=O)[C@@H](c1ccccc1Br)N1CC[NH2+]CC1 ZINC000037945787 173887724 /nfs/dbraw/zinc/88/77/24/173887724.db2.gz SWUPHEXIAGGPLY-LLVKDONJSA-N 1 0 298.184 0.881 10 0 CCAERO CCCn1cccc1C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000038031175 174025151 /nfs/dbraw/zinc/02/51/51/174025151.db2.gz XNPNTKQKSWQARN-UHFFFAOYSA-N 1 0 292.383 0.402 10 0 CCAERO CCCCNC(=O)[C@H](C)[NH2+]CCCS(C)(=O)=O ZINC000038048120 174058412 /nfs/dbraw/zinc/05/84/12/174058412.db2.gz OJUNREQXRGBTDW-JTQLQIEISA-N 1 0 264.391 0.316 10 0 CCAERO Cc1cc(C)n(CC(=O)N[C@H]2CCCC[C@@H]2[NH3+])n1 ZINC000038048493 174059250 /nfs/dbraw/zinc/05/92/50/174059250.db2.gz JAPOKHHHFUWMLG-RYUDHWBXSA-N 1 0 250.346 0.886 10 0 CCAERO NC(=O)[C@@H]1CCCCN1C(=O)CC1CC[NH2+]CC1 ZINC000038075677 174085993 /nfs/dbraw/zinc/08/59/93/174085993.db2.gz ZDQBSBRYPUOQPX-NSHDSACASA-N 1 0 253.346 0.243 10 0 CCAERO COC(=O)N1CCN(C(=O)CC[NH2+]C2CC2)CC1 ZINC000038101844 174117741 /nfs/dbraw/zinc/11/77/41/174117741.db2.gz DUICVHDJXFLZPJ-UHFFFAOYSA-N 1 0 255.318 0.039 10 0 CCAERO COC(=O)C[C@@H]1CCCCN1C(=O)C1CC[NH2+]CC1 ZINC000038101866 174118031 /nfs/dbraw/zinc/11/80/31/174118031.db2.gz HDXJNNZWBRFOFT-LBPRGKRZSA-N 1 0 268.357 0.930 10 0 CCAERO Cc1n[nH]cc1S(=O)(=O)N[C@H](C[NH3+])c1ccccc1 ZINC000040366798 174248904 /nfs/dbraw/zinc/24/89/04/174248904.db2.gz KIPLOWCGNBYPCJ-LLVKDONJSA-N 1 0 280.353 0.696 10 0 CCAERO O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCCc2n[nH]cc2C1 ZINC000662762252 414770889 /nfs/dbraw/zinc/77/08/89/414770889.db2.gz ULGHSEXOBXGMAB-GXSJLCMTSA-N 1 0 252.293 0.385 10 0 CCAERO Cn1ncc(Cl)c1C(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000662778180 414784515 /nfs/dbraw/zinc/78/45/15/414784515.db2.gz FKSPQCWTWRSVRO-UWVGGRQHSA-N 1 0 284.747 0.276 10 0 CCAERO Cn1ncc(Cl)c1C(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000662778179 414785294 /nfs/dbraw/zinc/78/52/94/414785294.db2.gz FKSPQCWTWRSVRO-NXEZZACHSA-N 1 0 284.747 0.276 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)NCCO[C@@H]1CC1(F)F ZINC000662648066 414737020 /nfs/dbraw/zinc/73/70/20/414737020.db2.gz WHTQCXVLUUZQFF-DTWKUNHWSA-N 1 0 250.289 0.900 10 0 CCAERO CC(C)(C(=O)N1CC[C@H]2COC[C@H]2C1)N1CC[NH2+]CC1 ZINC000662710052 414744700 /nfs/dbraw/zinc/74/47/00/414744700.db2.gz FQXWLGCJHVQZFC-QWHCGFSZSA-N 1 0 281.400 0.165 10 0 CCAERO O=C([C@H]1C[NH2+]CCOC1)N1CCO[C@H](CC(F)(F)F)C1 ZINC000662948738 414910063 /nfs/dbraw/zinc/91/00/63/414910063.db2.gz BEAIQKPFPZVOLM-VHSXEESVSA-N 1 0 296.289 0.402 10 0 CCAERO [NH3+]C1(C(=O)N2CCO[C@H](CC(F)(F)F)C2)CCOCC1 ZINC000662955872 414915553 /nfs/dbraw/zinc/91/55/53/414915553.db2.gz VPSJYJBYWZPBAL-SECBINFHSA-N 1 0 296.289 0.674 10 0 CCAERO Cc1cc(C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)no1 ZINC000662975140 414930647 /nfs/dbraw/zinc/93/06/47/414930647.db2.gz GAPSFOIJSDIIFS-SSDOTTSWSA-N 1 0 251.208 0.945 10 0 CCAERO CCN1C[C@H](C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)CC1=O ZINC000662980980 414931982 /nfs/dbraw/zinc/93/19/82/414931982.db2.gz SGNKXQQRABSKRL-HTQZYQBOSA-N 1 0 281.278 0.203 10 0 CCAERO CN(C(=O)c1cccc(C(N)=O)c1)[C@@H](C[NH3+])C(F)(F)F ZINC000662978215 414932635 /nfs/dbraw/zinc/93/26/35/414932635.db2.gz FQSQKXKGPIBJAF-VIFPVBQESA-N 1 0 289.257 0.747 10 0 CCAERO CC(NC(=O)[C@@H]1C[NH2+]CCOC1)(C1CC1)C1CC1 ZINC000662914795 414888741 /nfs/dbraw/zinc/88/87/41/414888741.db2.gz GKZDRKJPGKYNQM-SNVBAGLBSA-N 1 0 252.358 0.917 10 0 CCAERO C[C@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)C[C@@](C)(C(F)F)O1 ZINC000663006256 414946232 /nfs/dbraw/zinc/94/62/32/414946232.db2.gz TUJFREWCRFDBIJ-SBMIAAHKSA-N 1 0 262.300 0.867 10 0 CCAERO C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCOC2)C[C@](C)(C(F)F)O1 ZINC000663005738 414946256 /nfs/dbraw/zinc/94/62/56/414946256.db2.gz QISWDDOKYBEMGB-GBIKHYSHSA-N 1 0 292.326 0.494 10 0 CCAERO [NH3+]C1CCN(Cc2nc(-c3cnccn3)no2)CC1 ZINC000045893540 175385602 /nfs/dbraw/zinc/38/56/02/175385602.db2.gz BBSQDSYZDZLGBO-UHFFFAOYSA-N 1 0 260.301 0.450 10 0 CCAERO Cc1cc(N2CC[C@H]([NH3+])C2)nc(-c2cnccn2)n1 ZINC000045954512 175389242 /nfs/dbraw/zinc/38/92/42/175389242.db2.gz SBHHQTSJHXBCLL-JTQLQIEISA-N 1 0 256.313 0.779 10 0 CCAERO CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1cc[nH+]c2ccccc12 ZINC000664267727 415319413 /nfs/dbraw/zinc/31/94/13/415319413.db2.gz MJYXFHAYCPTXOP-KBPBESRZSA-N 1 0 292.360 0.881 10 0 CCAERO CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1cc[nH+]c(C)c1 ZINC000664268592 415321022 /nfs/dbraw/zinc/32/10/22/415321022.db2.gz KFBCHEFMSGUUNP-GHMZBOCLSA-N 1 0 256.327 0.036 10 0 CCAERO CCc1cc(N[C@@H]2CS(=O)(=O)C[C@H]2OC)cc[nH+]1 ZINC000664274385 415324968 /nfs/dbraw/zinc/32/49/68/415324968.db2.gz YXOGIVGFQXMQJB-VXGBXAGGSA-N 1 0 270.354 0.290 10 0 CCAERO CCc1cc(N[C@@H]2CS(=O)(=O)C[C@@H]2OC)cc[nH+]1 ZINC000664274382 415326359 /nfs/dbraw/zinc/32/63/59/415326359.db2.gz YXOGIVGFQXMQJB-NEPJUHHUSA-N 1 0 270.354 0.290 10 0 CCAERO CCn1nc(CNCC[NH2+]CCO)c(-c2ccccc2)n1 ZINC000057353472 175594741 /nfs/dbraw/zinc/59/47/41/175594741.db2.gz UOUVBQMECFNHPV-UHFFFAOYSA-N 1 0 289.383 0.637 10 0 CCAERO CC1(C)C(=O)NCCN1C[C@@H](C[NH3+])c1ccccc1 ZINC000070942684 176015587 /nfs/dbraw/zinc/01/55/87/176015587.db2.gz BFGCLUHPGRGBNB-CYBMUJFWSA-N 1 0 261.369 0.939 10 0 CCAERO CCN(C(=O)c1ccc(O)cc1O)[C@@H]1CC[NH2+]C1 ZINC000071312658 176119257 /nfs/dbraw/zinc/11/92/57/176119257.db2.gz JNHNOYYJEPNSCV-SECBINFHSA-N 1 0 250.298 0.922 10 0 CCAERO CNC(=O)C1CC[NH+](CCCn2ccc(N)n2)CC1 ZINC000071352059 176135204 /nfs/dbraw/zinc/13/52/04/176135204.db2.gz VXEXNNBMAHHKOX-UHFFFAOYSA-N 1 0 265.361 0.313 10 0 CCAERO CCN(C)C(=O)CSc1nnc(C[NH3+])n1C(C)C ZINC000071374481 176139609 /nfs/dbraw/zinc/13/96/09/176139609.db2.gz CWXYHDJDGUSZQK-UHFFFAOYSA-N 1 0 271.390 0.888 10 0 CCAERO COc1cccc(OC[C@@H](CO)N2CC[NH2+]CC2)c1 ZINC000071598523 176222541 /nfs/dbraw/zinc/22/25/41/176222541.db2.gz TXARNBBIMSDSEF-GFCCVEGCSA-N 1 0 266.341 0.340 10 0 CCAERO CN(c1cccc(F)c1C[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000071611879 176232207 /nfs/dbraw/zinc/23/22/07/176232207.db2.gz WFRVSDWAYVMCRX-SECBINFHSA-N 1 0 272.345 0.908 10 0 CCAERO Cn1ncc(I)c1CC[NH3+] ZINC000075845601 176803880 /nfs/dbraw/zinc/80/38/80/176803880.db2.gz WIOVFBZDZXNJPB-UHFFFAOYSA-N 1 0 251.071 0.526 10 0 CCAERO COc1ccc(Cn2nnnc2CC[NH3+])c(OC)c1 ZINC000076361308 177002037 /nfs/dbraw/zinc/00/20/37/177002037.db2.gz DSJIKZKECOUDRR-UHFFFAOYSA-N 1 0 263.301 0.240 10 0 CCAERO C[NH2+]CC(=O)NCCCc1ccc2oc(=O)[nH]c2c1 ZINC000076360899 177002147 /nfs/dbraw/zinc/00/21/47/177002147.db2.gz JEKVZIRGDKUOPS-UHFFFAOYSA-N 1 0 263.297 0.389 10 0 CCAERO C[C@@H](C[NH3+])CCC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000076675261 177055722 /nfs/dbraw/zinc/05/57/22/177055722.db2.gz FRUMQQGTIFNZCO-ZJUUUORDSA-N 1 0 262.375 0.007 10 0 CCAERO COc1ccc(F)c(CNC[C@]2(O)CC[NH2+]C2)c1F ZINC000077505840 177276416 /nfs/dbraw/zinc/27/64/16/177276416.db2.gz IDHWWEITKCQXPE-ZDUSSCGKSA-N 1 0 272.295 0.787 10 0 CCAERO CS(=O)(=O)c1cnn(Cc2cccnc2C[NH3+])c1 ZINC000725252207 545876832 /nfs/dbraw/zinc/87/68/32/545876832.db2.gz KMGDPMNORQUENN-UHFFFAOYSA-N 1 0 266.326 0.189 10 0 CCAERO CC(C)C[C@H]([NH3+])[C@@H](CO)n1cc(S(C)(=O)=O)cn1 ZINC000725253438 545878650 /nfs/dbraw/zinc/87/86/50/545878650.db2.gz VIQHAYLNALDLOE-WDEREUQCSA-N 1 0 275.374 0.193 10 0 CCAERO CS(=O)(=O)c1cnn([C@@H]2C[NH2+]Cc3ccccc32)c1 ZINC000725253484 545878273 /nfs/dbraw/zinc/87/82/73/545878273.db2.gz WIEYHKJUDXEKMO-CYBMUJFWSA-N 1 0 277.349 0.979 10 0 CCAERO CS(=O)(=O)c1cnn(-c2ccccc2C[NH3+])c1 ZINC000725253261 545878943 /nfs/dbraw/zinc/87/89/43/545878943.db2.gz SIHPERBQYSSENG-UHFFFAOYSA-N 1 0 251.311 0.735 10 0 CCAERO O=C1C[C@@H]([NH+]2CCC(O)CC2)C[C@@H](C(F)(F)F)N1 ZINC000725263252 545882821 /nfs/dbraw/zinc/88/28/21/545882821.db2.gz ZUCMWSVADJNKQM-CBAPKCEASA-N 1 0 266.263 0.653 10 0 CCAERO CC(C)[C@H](C)C(=O)NC[C@@H]1OC(=O)CC12C[NH2+]C2 ZINC000725263300 545883545 /nfs/dbraw/zinc/88/35/45/545883545.db2.gz GVPYHFMWDAXHLY-UWVGGRQHSA-N 1 0 254.330 0.300 10 0 CCAERO O=C1C[C@H]([N@@H+]2CC[C@@H](CO)C2)C[C@@H](C(F)(F)F)N1 ZINC000725263127 545883728 /nfs/dbraw/zinc/88/37/28/545883728.db2.gz QCOXSCLKIKROGQ-HLTSFMKQSA-N 1 0 266.263 0.510 10 0 CCAERO O=C1C[C@H]([N@@H+]2CC[C@H](CO)C2)C[C@H](C(F)(F)F)N1 ZINC000725263126 545883752 /nfs/dbraw/zinc/88/37/52/545883752.db2.gz QCOXSCLKIKROGQ-DJLDLDEBSA-N 1 0 266.263 0.510 10 0 CCAERO C[C@H]([NH2+][C@H]1CCCNC1=O)c1cccc(-n2cnnn2)c1 ZINC000050394451 544438386 /nfs/dbraw/zinc/43/83/86/544438386.db2.gz IAUVHOGWPBECFY-GWCFXTLKSA-N 1 0 286.339 0.592 10 0 CCAERO C[NH2+][C@H](C)C(=O)N1CCN(Cc2cc(C)no2)CC1 ZINC000054074870 544442063 /nfs/dbraw/zinc/44/20/63/544442063.db2.gz QVASZHZSXKGYDE-LLVKDONJSA-N 1 0 266.345 0.235 10 0 CCAERO CC(C)(CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)S(C)(=O)=O ZINC000093526187 544541282 /nfs/dbraw/zinc/54/12/82/544541282.db2.gz DJUIIYHMFSWCND-BDAKNGLRSA-N 1 0 262.375 0.053 10 0 CCAERO COC[C@@H](C)[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696084 544542924 /nfs/dbraw/zinc/54/29/24/544542924.db2.gz IDYUUVPMOUXBSK-GHMZBOCLSA-N 1 0 264.391 0.283 10 0 CCAERO CCc1cc(C(=O)N[C@H]2CCC[NH2+][C@H]2C)n(C)n1 ZINC000091496199 544526413 /nfs/dbraw/zinc/52/64/13/544526413.db2.gz LEEZXQIKYQAEKW-ONGXEEELSA-N 1 0 250.346 0.853 10 0 CCAERO C[C@H]1CN(C(=O)COC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000111757131 544562797 /nfs/dbraw/zinc/56/27/97/544562797.db2.gz MJYLVYVFVULUQQ-QWRGUYRKSA-N 1 0 256.346 0.391 10 0 CCAERO COC1(CNC(=O)N2CC[C@H]([NH+](C)C)C2)CCOCC1 ZINC000126555104 544598126 /nfs/dbraw/zinc/59/81/26/544598126.db2.gz PXBSCTVIFZEVHD-LBPRGKRZSA-N 1 0 285.388 0.528 10 0 CCAERO COC1(C(=O)NCC[C@@H]2CCCO2)CC[NH2+]CC1 ZINC000150887584 544649945 /nfs/dbraw/zinc/64/99/45/544649945.db2.gz NPSZZGDFRKFZRB-NSHDSACASA-N 1 0 256.346 0.440 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000136299219 544638188 /nfs/dbraw/zinc/63/81/88/544638188.db2.gz XWYRBGKPULPLJQ-NSHDSACASA-N 1 0 285.369 0.646 10 0 CCAERO CNC(=O)[C@@H]1CCCCN1C(=O)C[C@H]([NH3+])C(C)C ZINC000136390435 544639385 /nfs/dbraw/zinc/63/93/85/544639385.db2.gz OYCBVVHLQNCQOG-QWRGUYRKSA-N 1 0 255.362 0.487 10 0 CCAERO Cc1cc(NC(=O)CN(C)C(=O)C[C@H]([NH3+])C(C)C)no1 ZINC000136393444 544639403 /nfs/dbraw/zinc/63/94/03/544639403.db2.gz JLIWQQVCLCGSOM-JTQLQIEISA-N 1 0 282.344 0.753 10 0 CCAERO C[C@H](NC(=O)C(C)(C)C[NH3+])c1ccc(S(N)(=O)=O)cc1 ZINC000164813075 544721624 /nfs/dbraw/zinc/72/16/24/544721624.db2.gz CPVAWEOSSNQFMV-VIFPVBQESA-N 1 0 299.396 0.496 10 0 CCAERO CC[C@@H](O)C[NH+]1CCN(c2ncnc3onc(C)c32)CC1 ZINC000192457965 544801160 /nfs/dbraw/zinc/80/11/60/544801160.db2.gz RPYRNYXIUCDKFS-LLVKDONJSA-N 1 0 291.355 0.819 10 0 CCAERO CCCCOC[C@@H](O)Cn1cc(C[NH2+]CC)nn1 ZINC000227913622 544838330 /nfs/dbraw/zinc/83/83/30/544838330.db2.gz GIYGNSRSFLMGNR-LBPRGKRZSA-N 1 0 256.350 0.565 10 0 CCAERO CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000228252046 544841579 /nfs/dbraw/zinc/84/15/79/544841579.db2.gz YMWQAWZUSMTTPL-IJLUTSLNSA-N 1 0 253.346 0.098 10 0 CCAERO CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](CNC3=[NH+]CCN32)C1 ZINC000232498085 544864478 /nfs/dbraw/zinc/86/44/78/544864478.db2.gz QFZCTEOMFPQMHZ-GHMZBOCLSA-N 1 0 280.372 0.887 10 0 CCAERO COCC1(C(=O)N[C@H]2CCC[C@@H](O)C2)CC[NH2+]CC1 ZINC000234679316 544869729 /nfs/dbraw/zinc/86/97/29/544869729.db2.gz CGSMOHZBUNZBPY-NWDGAFQWSA-N 1 0 270.373 0.422 10 0 CCAERO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)CCn1ccccc1=O ZINC000238066635 544902543 /nfs/dbraw/zinc/90/25/43/544902543.db2.gz RMCHVKSROZKOMV-NEPJUHHUSA-N 1 0 263.341 0.482 10 0 CCAERO C[C@H](CN1CCOCC1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246176002 544908201 /nfs/dbraw/zinc/90/82/01/544908201.db2.gz VUNVRHNLSGKFQH-HUUCEWRRSA-N 1 0 283.416 0.114 10 0 CCAERO COc1ccnc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000248648602 544915072 /nfs/dbraw/zinc/91/50/72/544915072.db2.gz UCLAVYDNARTVMA-DLOVCJGASA-N 1 0 261.325 0.900 10 0 CCAERO CCN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000249885798 544921092 /nfs/dbraw/zinc/92/10/92/544921092.db2.gz CCZHPXCFVMUAHY-SDDRHHMPSA-N 1 0 288.413 0.397 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000250855398 544924704 /nfs/dbraw/zinc/92/47/04/544924704.db2.gz PDYYYKGUGBXSQJ-DCAQKATOSA-N 1 0 253.346 0.146 10 0 CCAERO CC(C)Oc1cc(N2CCO[C@@H]([C@H](C)[NH3+])C2)ncn1 ZINC000252690566 544930466 /nfs/dbraw/zinc/93/04/66/544930466.db2.gz VJMYVGVDPSURQP-WDEREUQCSA-N 1 0 266.345 0.816 10 0 CCAERO CCN1CCO[C@@H](C[NH2+][C@H](C)c2cnn(C)c2)C1 ZINC000252763293 544931727 /nfs/dbraw/zinc/93/17/27/544931727.db2.gz ZXMBGBUPHNSCRA-YPMHNXCESA-N 1 0 252.362 0.791 10 0 CCAERO CC(C)(C)OC(=O)N1CCN(C[C@H]2CC[NH2+]2)CC1 ZINC000258149769 544935252 /nfs/dbraw/zinc/93/52/52/544935252.db2.gz ZVCNCLREQBGUGD-LLVKDONJSA-N 1 0 255.362 0.901 10 0 CCAERO O=C(CCc1ccc(Cl)cc1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262060652 544938397 /nfs/dbraw/zinc/93/83/97/544938397.db2.gz AUIMGOUJUHPMHK-YPMHNXCESA-N 1 0 282.771 0.969 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1CSc2ccccc21 ZINC000262076905 544939013 /nfs/dbraw/zinc/93/90/13/544939013.db2.gz CEHQQWDYCHJPAO-MVWJERBFSA-N 1 0 278.377 0.572 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1CSc2ccccc21 ZINC000262076904 544939791 /nfs/dbraw/zinc/93/97/91/544939791.db2.gz CEHQQWDYCHJPAO-DLOVCJGASA-N 1 0 278.377 0.572 10 0 CCAERO CCc1noc(CC)c1CC(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262075254 544939854 /nfs/dbraw/zinc/93/98/54/544939854.db2.gz BYAMBFWJYIGDKR-JOYOIKCWSA-N 1 0 281.356 0.038 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc(Br)o1 ZINC000262109377 544940553 /nfs/dbraw/zinc/94/05/53/544940553.db2.gz FHIYTAWHAYILSM-NKWVEPMBSA-N 1 0 289.129 0.352 10 0 CCAERO C[C@H](C(=O)NC[C@H]1C[NH2+]C[C@H]1O)c1ccccc1F ZINC000262121548 544941266 /nfs/dbraw/zinc/94/12/66/544941266.db2.gz FYKGCZXXISEUAH-OPQQBVKSSA-N 1 0 266.316 0.626 10 0 CCAERO CCCN(CCC)S(=O)(=O)NC[C@H](C)[NH2+]C ZINC000304246343 544982860 /nfs/dbraw/zinc/98/28/60/544982860.db2.gz FUHOMPTVYYVMHE-JTQLQIEISA-N 1 0 251.396 0.551 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000333794244 545043085 /nfs/dbraw/zinc/04/30/85/545043085.db2.gz GQTBZCYZBDMKLX-GWCFXTLKSA-N 1 0 294.399 0.437 10 0 CCAERO CNC(=O)[C@@H]1CCCN1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333879686 545044101 /nfs/dbraw/zinc/04/41/01/545044101.db2.gz VZHVRYAQPCFMQS-QWRGUYRKSA-N 1 0 268.361 0.049 10 0 CCAERO CC(C)(O)CN1CC[NH+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000311647974 545013197 /nfs/dbraw/zinc/01/31/97/545013197.db2.gz LZMWMTYUJVVJES-UONOGXRCSA-N 1 0 270.417 0.926 10 0 CCAERO CO[C@@H]1C[C@@H](CO)[N@H+](C[C@@H]2COc3ccccc3O2)C1 ZINC000312515436 545013431 /nfs/dbraw/zinc/01/34/31/545013431.db2.gz NRYHSNMLWKGWRK-YNEHKIRRSA-N 1 0 279.336 0.908 10 0 CCAERO CC[C@H]1C[N@H+](CC)CCN1C(=O)[C@@H]1CCCC(=O)N1 ZINC000333963388 545044730 /nfs/dbraw/zinc/04/47/30/545044730.db2.gz NWJGUSDNYUXRKE-RYUDHWBXSA-N 1 0 267.373 0.598 10 0 CCAERO C[C@@H](CNC(=O)N[C@@H]1CCCNC1=O)[N@H+](C)C1CC1 ZINC000332808539 545033733 /nfs/dbraw/zinc/03/37/33/545033733.db2.gz SRJBFUJFKLVEAQ-GXSJLCMTSA-N 1 0 268.361 0.047 10 0 CCAERO CCO[C@H]1C[C@@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C12CCC2 ZINC000333141161 545038763 /nfs/dbraw/zinc/03/87/63/545038763.db2.gz DAEUCVJUJBQCFG-RVMXOQNASA-N 1 0 297.399 0.308 10 0 CCAERO C[C@H]1CCCN1C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262062572 299856411 /nfs/dbraw/zinc/85/64/11/299856411.db2.gz AZGSEWLSDGVFPD-UHTWSYAYSA-N 1 0 262.357 0.734 10 0 CCAERO CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC[C@@H](C)[NH3+] ZINC000178634803 275475896 /nfs/dbraw/zinc/47/58/96/275475896.db2.gz LLIITGUXPOUEOM-ABAIWWIYSA-N 1 0 289.379 0.813 10 0 CCAERO CC(C)(C)c1ncsc1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262112899 275540857 /nfs/dbraw/zinc/54/08/57/275540857.db2.gz FMBRYRDZQUBXCK-BDAKNGLRSA-N 1 0 283.397 0.751 10 0 CCAERO CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CCC(O)CC1 ZINC000334929413 275816947 /nfs/dbraw/zinc/81/69/47/275816947.db2.gz MCGHYEKOHPADEE-LBPRGKRZSA-N 1 0 269.389 0.931 10 0 CCAERO C[C@@H]1CN(C(=O)C(=O)NC2CCCCCC2)C[C@@H]1[NH3+] ZINC000335288033 287857954 /nfs/dbraw/zinc/85/79/54/287857954.db2.gz MGUAFYAFPRNWHF-PWSUYJOCSA-N 1 0 267.373 0.631 10 0 CCAERO CCN(CC)C(=O)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173933959 276317813 /nfs/dbraw/zinc/31/78/13/276317813.db2.gz WWCTVPDVXBHNRC-ZDUSSCGKSA-N 1 0 269.389 0.261 10 0 CCAERO CCOCC[N@@H+]1CCN([C@H]2CCN(C)C2=O)C[C@H]1CC ZINC000247572391 276323392 /nfs/dbraw/zinc/32/33/92/276323392.db2.gz WWBQJHMAPLKRFH-KGLIPLIRSA-N 1 0 283.416 0.650 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1nocc1C ZINC000119062018 276369552 /nfs/dbraw/zinc/36/95/52/276369552.db2.gz VHWGGJHYALJLIL-LLVKDONJSA-N 1 0 294.355 0.864 10 0 CCAERO C[NH+](C)CCNC(=O)NCc1cccnc1-n1cccn1 ZINC000179213582 276790700 /nfs/dbraw/zinc/79/07/00/276790700.db2.gz GOGINROVRSBRHT-UHFFFAOYSA-N 1 0 288.355 0.628 10 0 CCAERO Cn1ncc2c1nc(N1CC[C@@H]([NH+](C)C)C1)[nH]c2=O ZINC000408031573 276837870 /nfs/dbraw/zinc/83/78/70/276837870.db2.gz OGSQDYXZLXWCAP-MRVPVSSYSA-N 1 0 262.317 0.209 10 0 CCAERO CNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000226345855 277007163 /nfs/dbraw/zinc/00/71/63/277007163.db2.gz KFTCPWOSKCCBDN-VWYCJHECSA-N 1 0 253.346 0.098 10 0 CCAERO C[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)C[C@H]1CO ZINC000342107773 287930555 /nfs/dbraw/zinc/93/05/55/287930555.db2.gz JZECMQGWADLIKN-YVECIDJPSA-N 1 0 269.389 0.739 10 0 CCAERO CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000085368698 277045498 /nfs/dbraw/zinc/04/54/98/277045498.db2.gz YTYRTSLQRHWTHR-UTUOFQBUSA-N 1 0 253.346 0.241 10 0 CCAERO CC(=O)N[C@H](C)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000155478844 277052636 /nfs/dbraw/zinc/05/26/36/277052636.db2.gz DJZAIBOHMGMLOB-UMNHJUIQSA-N 1 0 255.362 0.356 10 0 CCAERO C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000329668438 277075475 /nfs/dbraw/zinc/07/54/75/277075475.db2.gz LWWNAWBXAUIJHO-STQMWFEESA-N 1 0 277.372 0.611 10 0 CCAERO C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4n[nH]nc4C3)[C@@H]2C1 ZINC000328987794 277143323 /nfs/dbraw/zinc/14/33/23/277143323.db2.gz RNIQKWNAWCCXDQ-UHIISALHSA-N 1 0 289.383 0.462 10 0 CCAERO CC(C)(C)NC(=O)CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089450592 277167435 /nfs/dbraw/zinc/16/74/35/277167435.db2.gz HTNDOTJPRZNWEZ-NXEZZACHSA-N 1 0 255.362 0.392 10 0 CCAERO 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ZINC000262210750 534352672 /nfs/dbraw/zinc/35/26/72/534352672.db2.gz ITJJPUJPPRLHAI-NXEZZACHSA-N 1 0 268.382 0.722 10 0 CCAERO CCC[NH+]1CCC(N[C@@H]2CC(=O)N(C)C2=O)CC1 ZINC000049554840 519846923 /nfs/dbraw/zinc/84/69/23/519846923.db2.gz PURKJEIXZZWFGP-LLVKDONJSA-N 1 0 253.346 0.208 10 0 CCAERO CCCNC(=O)[C@H](C)NC(=O)C[C@@H]1CCCC[NH2+]1 ZINC000049225404 519891866 /nfs/dbraw/zinc/89/18/66/519891866.db2.gz OXZZONFSHREJMW-QWRGUYRKSA-N 1 0 255.362 0.550 10 0 CCAERO CC[NH2+]CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000061287378 519916354 /nfs/dbraw/zinc/91/63/54/519916354.db2.gz UYXSHQNKLBHRRT-UHFFFAOYSA-N 1 0 263.345 0.125 10 0 CCAERO CCC[NH2+]CCNS(=O)(=O)N(C)Cc1ccccc1 ZINC000054266527 519917589 /nfs/dbraw/zinc/91/75/89/519917589.db2.gz QMYDRRLWOBOUIL-UHFFFAOYSA-N 1 0 285.413 0.952 10 0 CCAERO CC[NH2+]Cc1nnnn1-c1ccc(F)cc1OC ZINC000054762373 520025964 /nfs/dbraw/zinc/02/59/64/520025964.db2.gz QHPDSQZXIZXXQB-UHFFFAOYSA-N 1 0 251.265 0.920 10 0 CCAERO CCN[C@H](CCN1CC[NH+](CC)CC1)C(=O)OC ZINC000062439750 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/nfs/dbraw/zinc/35/23/24/524352324.db2.gz OEVHEXBUPOVADZ-WCQYABFASA-N 1 0 281.400 0.879 10 0 CCAERO C[C@H](CN1CCOCC1)[NH2+]CCCn1ccnc1 ZINC000049504518 524357657 /nfs/dbraw/zinc/35/76/57/524357657.db2.gz YSYATUKNIPFBKY-CYBMUJFWSA-N 1 0 252.362 0.584 10 0 CCAERO C[C@H]1CC[C@H](C(=O)N2CCn3ccnc3C2)C[C@@H]1[NH3+] ZINC000062330966 524380144 /nfs/dbraw/zinc/38/01/44/524380144.db2.gz MJEUJOQQONIUCD-SRVKXCTJSA-N 1 0 262.357 0.989 10 0 CCAERO C[C@H](Cc1ccco1)NS(=O)(=O)C1CC[NH2+]CC1 ZINC000049645532 524746223 /nfs/dbraw/zinc/74/62/23/524746223.db2.gz CAGDAGVNNSYOBL-SNVBAGLBSA-N 1 0 272.370 0.882 10 0 CCAERO C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2)CC[NH2+]1 ZINC000052783395 525067712 /nfs/dbraw/zinc/06/77/12/525067712.db2.gz GDVRCENOULDHEK-SECBINFHSA-N 1 0 255.343 0.132 10 0 CCAERO CS(=O)(=O)CC[C@H]([NH3+])C(=O)NCCc1ccsc1 ZINC000049184977 525132804 /nfs/dbraw/zinc/13/28/04/525132804.db2.gz CHMPIEKXHVPQLR-JTQLQIEISA-N 1 0 290.410 0.169 10 0 CCAERO Cc1cc(NS(=O)(=O)CCC[NH2+]C(C)C)n(C)n1 ZINC000049641567 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Nc1n[nH]c(C(=O)N2CC[NH+](C3CCCC3)CC2)n1 ZINC000055169765 527542583 /nfs/dbraw/zinc/54/25/83/527542583.db2.gz QYMLRMVWANGBGC-UHFFFAOYSA-N 1 0 264.333 0.087 10 0 CCAERO COc1cc(C[NH2+][C@@H]2CCNC2=O)cc(OC)c1O ZINC000668424957 545176898 /nfs/dbraw/zinc/17/68/98/545176898.db2.gz CVJIWUQJHISYQN-SECBINFHSA-N 1 0 266.297 0.388 10 0 CCAERO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]C2CC(CO)C2)C1 ZINC000668780608 545190492 /nfs/dbraw/zinc/19/04/92/545190492.db2.gz UMTQULXZPDEBKC-RUJICJSRSA-N 1 0 261.387 0.703 10 0 CCAERO O=C(NC[C@]12C[NH2+]C[C@H]1S(=O)(=O)CCC2)C1CCC1 ZINC000675073354 545321125 /nfs/dbraw/zinc/32/11/25/545321125.db2.gz NNAPIIMYTMNQPM-YPMHNXCESA-N 1 0 286.397 0.070 10 0 CCAERO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CC[C@@H](C[NH3+])CN2N1 ZINC000675073206 545321147 /nfs/dbraw/zinc/32/11/47/545321147.db2.gz HIACFIWUGOMVOT-DCAQKATOSA-N 1 0 255.362 0.644 10 0 CCAERO CC[C@H](OC1CCCCC1)C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262363588 536031011 /nfs/dbraw/zinc/03/10/11/536031011.db2.gz VJQFRGAAUUYIHK-YUTCNCBUSA-N 1 0 284.400 0.811 10 0 CCAERO C[NH2+][C@H](C)CNC(=O)c1ccc(C(=O)N(C)C)nc1C ZINC000261773051 536400319 /nfs/dbraw/zinc/40/03/19/536400319.db2.gz PJTWDZCMBAIOPH-SECBINFHSA-N 1 0 278.356 0.430 10 0 CCAERO CN(c1cc(N2CCSCC2)ncn1)C1CC([NH3+])C1 ZINC000333905496 536487955 /nfs/dbraw/zinc/48/79/55/536487955.db2.gz JUCKXLQZOFRNMP-UHFFFAOYSA-N 1 0 279.413 0.956 10 0 CCAERO COC[C@]1(C(=O)N[C@H]2COc3ccccc32)CC[NH2+]C1 ZINC000261863400 536657884 /nfs/dbraw/zinc/65/78/84/536657884.db2.gz YBFHESUUYASCAB-WFASDCNBSA-N 1 0 276.336 0.862 10 0 CCAERO COc1cc(C)nc(C[N@@H+]2C[C@H](OC)C[C@@H]2CO)c1 ZINC000311875576 536692444 /nfs/dbraw/zinc/69/24/44/536692444.db2.gz XPBZHBWECMTZNB-TZMCWYRMSA-N 1 0 266.341 0.980 10 0 CCAERO COc1ccccc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262328992 536997910 /nfs/dbraw/zinc/99/79/10/536997910.db2.gz SCBOGXBQFAMMHN-GXSJLCMTSA-N 1 0 250.298 0.005 10 0 CCAERO COc1ccc2nc(CNC[C@@H]3C[NH2+]C[C@H]3O)sc2c1 ZINC000263212652 537053824 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MVWSFEHVPIMROB-VHSXEESVSA-N 1 0 281.381 0.816 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C[C@H](O)CN1CCOCC1 ZINC000336826384 355201610 /nfs/dbraw/zinc/20/16/10/355201610.db2.gz NPIWHFHUGHFEQV-CABCVRRESA-N 1 0 285.432 0.096 10 0 CCAERO Cc1noc(CN(C)C(=O)[C@H]2CCC[NH2+][C@@H]2C)n1 ZINC000655527618 412613296 /nfs/dbraw/zinc/61/32/96/412613296.db2.gz XSTQQTPUUDLKJC-SCZZXKLOSA-N 1 0 252.318 0.725 10 0 CCAERO CN(C)c1noc(CN2CC[C@@H]3OCCN(C)[C@H]3C2)n1 ZINC000328867471 202090183 /nfs/dbraw/zinc/09/01/83/202090183.db2.gz CEZJWJAZJMLPAV-QWRGUYRKSA-N 1 0 281.360 0.041 10 0 CCAERO Cc1nccn1-c1cncc(N2C[C@@H](F)C[C@H]2CO)n1 ZINC000328921536 202113846 /nfs/dbraw/zinc/11/38/46/202113846.db2.gz CFBFTIDWDIFMPC-QWRGUYRKSA-N 1 0 277.303 0.880 10 0 CCAERO O[C@]1(Cn2ccnn2)CCC[N@H+](CCn2ccnc2)C1 ZINC000328923034 202115885 /nfs/dbraw/zinc/11/58/85/202115885.db2.gz CTNOJIHRSWMYTQ-CYBMUJFWSA-N 1 0 276.344 0.002 10 0 CCAERO Cn1nccc1[C@@H]1OCC[C@H]1C[NH+]1CC(n2ccnn2)C1 ZINC000328937767 202121224 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CC(=O)N[C@H]1CCC[N@H+](CCC(=O)N2CCCCC2)C1 ZINC000407998493 357859578 /nfs/dbraw/zinc/85/95/78/357859578.db2.gz QVEVUUHGKGGFTO-AWEZNQCLSA-N 1 0 281.400 0.990 10 0 CCAERO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)CO)CC2)C[C@H](C)O1 ZINC000407999095 357859660 /nfs/dbraw/zinc/85/96/60/357859660.db2.gz UTQIZVMROWHKAM-BETUJISGSA-N 1 0 284.400 0.717 10 0 CCAERO C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCO[C@@H](CO)C1 ZINC000407998360 357859988 /nfs/dbraw/zinc/85/99/88/357859988.db2.gz PMSOFGZQNJDBIU-QWHCGFSZSA-N 1 0 270.373 0.471 10 0 CCAERO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](C[C@H](O)C(C)(C)C)C1 ZINC000407951061 357835211 /nfs/dbraw/zinc/83/52/11/357835211.db2.gz OLPDPNOEJHHCJT-RYUDHWBXSA-N 1 0 292.445 0.796 10 0 CCAERO CC(C)C(=O)N[C@H]1CCCN(C(=O)C[NH+](C)C)C1 ZINC000408009552 357865466 /nfs/dbraw/zinc/86/54/66/357865466.db2.gz RHFUWNDTFBAZCD-NSHDSACASA-N 1 0 255.362 0.311 10 0 CCAERO CSC[C@H](O)C[N@@H+]1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000408044270 357884600 /nfs/dbraw/zinc/88/46/00/357884600.db2.gz NGGNZGJKFBTTHA-AAVRWANBSA-N 1 0 289.441 0.962 10 0 CCAERO CO[C@H]1C[C@@H](C(=O)N2CC[C@H](C(C)(C)C)[C@@H](O)C2)[N@H+](C)C1 ZINC000408048037 357888839 /nfs/dbraw/zinc/88/88/39/357888839.db2.gz UUDVVKYPXZYTIT-XUXIUFHCSA-N 1 0 298.427 0.961 10 0 CCAERO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]CC1(O)CCCC1 ZINC000408073448 357903730 /nfs/dbraw/zinc/90/37/30/357903730.db2.gz WFBFGRWKVHOBMM-RYUDHWBXSA-N 1 0 290.429 0.742 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)NC(C)C ZINC000408146505 357940089 /nfs/dbraw/zinc/94/00/89/357940089.db2.gz PSUFVRXTDYXTBI-LLVKDONJSA-N 1 0 263.407 0.645 10 0 CCAERO Cc1[nH]nc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)c1C ZINC000408180725 357956886 /nfs/dbraw/zinc/95/68/86/357956886.db2.gz VFSYDXIPAUZNQU-LLVKDONJSA-N 1 0 266.345 0.429 10 0 CCAERO CC[C@@H]1C[C@@H](C(=O)NC[C@@H]2CC[N@H+](C)C2)CC(=O)N1 ZINC000408200983 357967127 /nfs/dbraw/zinc/96/71/27/357967127.db2.gz CNBVMLGRHBHNTN-QJPTWQEYSA-N 1 0 267.373 0.359 10 0 CCAERO C[NH+](C)C1CCN(S(=O)(=O)NC2CCCC2)CC1 ZINC000408204267 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CC(C)[NH+]1CCC(NC(=O)[C@H]2CC[C@H](C(N)=O)O2)CC1 ZINC000408294795 358016618 /nfs/dbraw/zinc/01/66/18/358016618.db2.gz PFAISQJIXSVNLW-VXGBXAGGSA-N 1 0 283.372 0.008 10 0 CCAERO CC(=O)N1CC[C@@H](C(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000408355649 358048628 /nfs/dbraw/zinc/04/86/28/358048628.db2.gz UBHPXHSVISPOSN-CYBMUJFWSA-N 1 0 281.400 0.845 10 0 CCAERO CNS(=O)(=O)c1ccc(N2CC[N@H+](C)C[C@@H]2C)nc1 ZINC000408431784 358090739 /nfs/dbraw/zinc/09/07/39/358090739.db2.gz BTQOKGUYULESSD-JTQLQIEISA-N 1 0 284.385 0.130 10 0 CCAERO C[C@H](O)CN1CCN(S(=O)(=O)CC2CC2)C[C@H]1C ZINC000408434085 358091682 /nfs/dbraw/zinc/09/16/82/358091682.db2.gz OVSNZGOOSDXRAX-MNOVXSKESA-N 1 0 276.402 0.113 10 0 CCAERO CC[C@H]1[C@H](CO)CCN1C(=O)[C@@H]1C[C@H](OC)C[N@@H+]1C ZINC000408462275 358107218 /nfs/dbraw/zinc/10/72/18/358107218.db2.gz CQNDNRCNNXEODS-CYDGBPFRSA-N 1 0 270.373 0.325 10 0 CCAERO C[N@H+](C[C@H]1COCCO1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000562689093 291163420 /nfs/dbraw/zinc/16/34/20/291163420.db2.gz ULYOOGJUYHPDKG-KGLIPLIRSA-N 1 0 292.383 0.793 10 0 CCAERO CCN(CC[NH2+]C)C(=O)c1ccccc1-n1nccn1 ZINC000584592831 359176976 /nfs/dbraw/zinc/17/69/76/359176976.db2.gz SKTOBHCFQLOCLE-UHFFFAOYSA-N 1 0 273.340 0.949 10 0 CCAERO CCC[C@@](C)(NC(=O)[C@H]1C[NH2+]CCOC1)C(=O)OC ZINC000591597596 359605571 /nfs/dbraw/zinc/60/55/71/359605571.db2.gz MKQRZNDEXSQMDD-GXFFZTMASA-N 1 0 272.345 0.070 10 0 CCAERO COC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000591686545 359639631 /nfs/dbraw/zinc/63/96/31/359639631.db2.gz UXWMNWWXDYJYHH-UWVGGRQHSA-N 1 0 254.330 0.539 10 0 CCAERO CN1CCO[C@H](C[NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000591714346 359645478 /nfs/dbraw/zinc/64/54/78/359645478.db2.gz WEBTZYRNSIPZLQ-LLVKDONJSA-N 1 0 260.341 0.983 10 0 CCAERO Cc1n[nH]c(C)c1C[NH2+]C1CCN(CCO)CC1 ZINC000591909134 359690273 /nfs/dbraw/zinc/69/02/73/359690273.db2.gz RZFQOZFKNQVIEQ-UHFFFAOYSA-N 1 0 252.362 0.573 10 0 CCAERO CCC[C@H]([NH3+])C(=O)NC1CCC(C(=O)OC)CC1 ZINC000592134215 359763000 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CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)OC)C1 ZINC000593912233 360208238 /nfs/dbraw/zinc/20/82/38/360208238.db2.gz ZZFZHVZOIIBXIZ-MXWKQRLJSA-N 1 0 256.346 0.771 10 0 CCAERO C[C@H](c1cnn(C)c1)[N@H+](C)C[C@H](O)CN1CCCC1=O ZINC000180360230 189251622 /nfs/dbraw/zinc/25/16/22/189251622.db2.gz ALTOZZMDFSKKQU-YPMHNXCESA-N 1 0 280.372 0.396 10 0 CCAERO CCC[C@H]([NH3+])C(=O)N1CCC[C@@H](C2OCCO2)C1 ZINC000182105310 189314141 /nfs/dbraw/zinc/31/41/41/189314141.db2.gz GPJAYWIABSUWEC-MNOVXSKESA-N 1 0 256.346 0.725 10 0 CCAERO COc1cc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)ncn1 ZINC000182221432 189317592 /nfs/dbraw/zinc/31/75/92/189317592.db2.gz YXYONIFHLQLGSH-SNVBAGLBSA-N 1 0 277.328 0.797 10 0 CCAERO CCC[C@H]([NH3+])C(=O)N1CC[C@H](OCCOCC)C1 ZINC000182691890 189331599 /nfs/dbraw/zinc/33/15/99/189331599.db2.gz HBUSRJBOSHGHIT-RYUDHWBXSA-N 1 0 258.362 0.768 10 0 CCAERO C[NH2+][C@H](C)CNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 ZINC000261867732 283677358 /nfs/dbraw/zinc/67/73/58/283677358.db2.gz ZGGKCQZMGCBWOF-OSMZGAPFSA-N 1 0 290.367 0.325 10 0 CCAERO COC(=O)c1oc([C@H](C)[N@@H+]2C[C@H](O)C[C@@H]2CO)cc1C ZINC000184722986 189393885 /nfs/dbraw/zinc/39/38/85/189393885.db2.gz CQVLEDBJGFPKRL-HBNTYKKESA-N 1 0 283.324 0.863 10 0 CCAERO [NH3+]CC1(C(=O)NCC[C@H]2CC2(F)F)CCOCC1 ZINC000621674190 366827325 /nfs/dbraw/zinc/82/73/25/366827325.db2.gz OGCXAUSYNSZLNV-VIFPVBQESA-N 1 0 262.300 0.903 10 0 CCAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NS(=O)(=O)C1CC1 ZINC000335742747 212475336 /nfs/dbraw/zinc/47/53/36/212475336.db2.gz MFKKGPTVMNZQJY-GJYTXDDASA-N 1 0 258.387 0.974 10 0 CCAERO NC(=O)c1c[nH+]ccc1NC[C@H](CO)Cc1ccccn1 ZINC000302015113 201299157 /nfs/dbraw/zinc/29/91/57/201299157.db2.gz FGTRELQWMLLTKW-LLVKDONJSA-N 1 0 286.335 0.839 10 0 CCAERO CC(C)Oc1nccnc1N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000302171437 201379601 /nfs/dbraw/zinc/37/96/01/201379601.db2.gz UKGNSMPCBJTFHN-VXGBXAGGSA-N 1 0 278.356 0.783 10 0 CCAERO C[C@H]1CN(CC(=O)Nc2nccs2)C[C@H]1C[NH3+] ZINC000631839987 370705371 /nfs/dbraw/zinc/70/53/71/370705371.db2.gz NUSAYQHVBNKFEP-DTWKUNHWSA-N 1 0 254.359 0.608 10 0 CCAERO C[C@H]1CN(CC(=O)NCc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000631842872 370707308 /nfs/dbraw/zinc/70/73/08/370707308.db2.gz GZTYIQNXSKLVHA-AAEUAGOBSA-N 1 0 279.359 0.969 10 0 CCAERO C[C@@H](NC(=O)N1CC[NH2+]C[C@@H]1C)[C@H]1CCCCO1 ZINC000333862883 296065973 /nfs/dbraw/zinc/06/59/73/296065973.db2.gz ZTWVGYGNUCFMFT-QJPTWQEYSA-N 1 0 255.362 0.947 10 0 CCAERO C[C@@H](C(=O)NC[C@H](O)c1ccc(F)cc1)[C@H](C)[NH3+] ZINC000192003132 189610968 /nfs/dbraw/zinc/61/09/68/189610968.db2.gz FMFXDAAFZZJYDX-PTRXPTGYSA-N 1 0 254.305 0.959 10 0 CCAERO C[NH+](C)CC1CN(C(=O)Cn2cnc3c2CCCC3)C1 ZINC000615505183 364986900 /nfs/dbraw/zinc/98/69/00/364986900.db2.gz OFKDAEFHCVUDSX-UHFFFAOYSA-N 1 0 276.384 0.782 10 0 CCAERO CCCN(CCC)S(=O)(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631967111 370795259 /nfs/dbraw/zinc/79/52/59/370795259.db2.gz CGFVAHNDACFKNQ-NWDGAFQWSA-N 1 0 277.434 0.880 10 0 CCAERO C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](C)C2)C[C@@H]1C[NH3+] ZINC000631968189 370796479 /nfs/dbraw/zinc/79/64/79/370796479.db2.gz SMWSKKNHFLCRAP-UTUOFQBUSA-N 1 0 275.418 0.490 10 0 CCAERO C[C@@H]1CN(S(=O)(=O)N2CCCC[C@@H]2C)C[C@@H]1C[NH3+] ZINC000631968299 370796547 /nfs/dbraw/zinc/79/65/47/370796547.db2.gz TUBPDYJZIKTRDA-WOPDTQHZSA-N 1 0 275.418 0.632 10 0 CCAERO OCC[N@@H+]1CCO[C@H](c2cccc(CO)c2)CC1 ZINC000616665400 365419244 /nfs/dbraw/zinc/41/92/44/365419244.db2.gz HQJGBPRVCAMDBE-AWEZNQCLSA-N 1 0 251.326 0.935 10 0 CCAERO CC(=O)N1CC[NH2+]C[C@H]1CCNC(=O)OC(C)(C)C ZINC000616636449 365395112 /nfs/dbraw/zinc/39/51/12/365395112.db2.gz TWTYAUMRAZJWRL-LLVKDONJSA-N 1 0 271.361 0.722 10 0 CCAERO NS(=O)(=O)N1CC[NH2+]C[C@@H]1c1ccc(Cl)cc1 ZINC000616638089 365396828 /nfs/dbraw/zinc/39/68/28/365396828.db2.gz GISTXFNVTWTIQL-SNVBAGLBSA-N 1 0 275.761 0.490 10 0 CCAERO OCCc1cccc([C@H]2COCCC[N@H+]2CCO)c1 ZINC000616599783 365378716 /nfs/dbraw/zinc/37/87/16/365378716.db2.gz PKGNYQKIBUQOER-OAHLLOKOSA-N 1 0 265.353 0.977 10 0 CCAERO [NH3+][C@H]1CN(S(=O)(=O)c2ccccc2)CCCO1 ZINC000616597324 365378856 /nfs/dbraw/zinc/37/88/56/365378856.db2.gz DAAVFQSRYJNMQO-LLVKDONJSA-N 1 0 256.327 0.382 10 0 CCAERO [NH3+]CC[C@H]1CCOCCN1S(=O)(=O)c1ccccc1 ZINC000616598981 365379349 /nfs/dbraw/zinc/37/93/49/365379349.db2.gz NEFGBEOXQRSPMG-LBPRGKRZSA-N 1 0 284.381 0.815 10 0 CCAERO CS(=O)(=O)[C@@H]1c2ccccc2CCN1CC[NH3+] ZINC000616679447 365422480 /nfs/dbraw/zinc/42/24/80/365422480.db2.gz TWYVVANBFJWXQV-GFCCVEGCSA-N 1 0 254.355 0.547 10 0 CCAERO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CNC(=O)C1 ZINC000617015292 365521162 /nfs/dbraw/zinc/52/11/62/365521162.db2.gz ZFELCWBSMVONCY-ZJUUUORDSA-N 1 0 253.346 0.112 10 0 CCAERO CCNC(=O)N1CCN(C(=O)[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000335532864 212227162 /nfs/dbraw/zinc/22/71/62/212227162.db2.gz GBBSSSRVQQWBJI-RYUDHWBXSA-N 1 0 282.388 0.248 10 0 CCAERO CC(=O)Nc1ccc(C[NH2+][C@H]2CCOC[C@H]2O)cc1 ZINC000623764611 367650278 /nfs/dbraw/zinc/65/02/78/367650278.db2.gz HMSWHWXUZBNTCQ-UONOGXRCSA-N 1 0 264.325 0.884 10 0 CCAERO O=C(Cc1cccc(F)c1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000335497805 212177929 /nfs/dbraw/zinc/17/79/29/212177929.db2.gz ZXMYEUYSKMKQPQ-QWHCGFSZSA-N 1 0 264.300 0.567 10 0 CCAERO O=C([C@H]1CNC(=O)C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000113427179 296137358 /nfs/dbraw/zinc/13/73/58/296137358.db2.gz SSVOVVOLKUSIEF-NEPJUHHUSA-N 1 0 265.357 0.209 10 0 CCAERO CO[C@@H]1CN(C(=O)c2cccnn2)[C@@](C)(C[NH3+])C1 ZINC000630091871 369950779 /nfs/dbraw/zinc/95/07/79/369950779.db2.gz HZCNYRFGZLBKNN-JOYOIKCWSA-N 1 0 250.302 0.055 10 0 CCAERO CO[C@@H]1CN(CC(=O)N2CCCCCC2)[C@](C)(C[NH3+])C1 ZINC000630356676 370059932 /nfs/dbraw/zinc/05/99/32/370059932.db2.gz STICXBHTZDRHEJ-ZFWWWQNUSA-N 1 0 283.416 0.827 10 0 CCAERO CO[C@@H]1CN(CC(=O)Nc2nccs2)[C@@](C)(C[NH3+])C1 ZINC000630360934 370063117 /nfs/dbraw/zinc/06/31/17/370063117.db2.gz IBEKRBBMXHKWNR-JOYOIKCWSA-N 1 0 284.385 0.520 10 0 CCAERO CC[C@H](C)NC(=O)CN1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630364341 370065461 /nfs/dbraw/zinc/06/54/61/370065461.db2.gz USWBNUXOPHFQJQ-LOWVWBTDSA-N 1 0 257.378 0.339 10 0 CCAERO CO[C@@H]1CN(CC(=O)N2CCC(C)CC2)[C@@](C)(C[NH3+])C1 ZINC000630364832 370066439 /nfs/dbraw/zinc/06/64/39/370066439.db2.gz WFCPVUXSXSFGJH-DZGCQCFKSA-N 1 0 283.416 0.683 10 0 CCAERO CO[C@H]1CN(C(=O)c2cnns2)[C@@](C)(C[NH3+])C1 ZINC000630367459 370067798 /nfs/dbraw/zinc/06/77/98/370067798.db2.gz CHISPYOPUQGKEF-GMSGAONNSA-N 1 0 256.331 0.116 10 0 CCAERO CO[C@H]1CN(C(=O)CCc2cccnc2)[C@@](C)(C[NH3+])C1 ZINC000630372704 370074206 /nfs/dbraw/zinc/07/42/06/370074206.db2.gz RJMBBINIXMPLOF-UKRRQHHQSA-N 1 0 277.368 0.979 10 0 CCAERO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@@]1(O)CCSC1 ZINC000305709783 284196066 /nfs/dbraw/zinc/19/60/66/284196066.db2.gz JKXOYHSRUAMNQR-SMDDNHRTSA-N 1 0 284.425 0.988 10 0 CCAERO CO[C@@H]1CN(C(=O)CCOCC(F)F)[C@@](C)(C[NH3+])C1 ZINC000630377177 370079620 /nfs/dbraw/zinc/07/96/20/370079620.db2.gz IVOIVJQNIWRGMH-JOYOIKCWSA-N 1 0 280.315 0.623 10 0 CCAERO C[C@H](C(=O)NC[C@@H](O)c1ccsc1)C1C[NH2+]C1 ZINC000231985370 189815942 /nfs/dbraw/zinc/81/59/42/189815942.db2.gz TZEMUOSPZXOBMA-GZMMTYOYSA-N 1 0 254.355 0.753 10 0 CCAERO CS(=O)(=O)NCC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000337317359 214002089 /nfs/dbraw/zinc/00/20/89/214002089.db2.gz YVOMWKMSBFWPOJ-UPJWGTAASA-N 1 0 290.429 0.551 10 0 CCAERO C[C@@H](Cn1ccnc1)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634765719 372212127 /nfs/dbraw/zinc/21/21/27/372212127.db2.gz AWSBVHWXUHHORE-OBJOEFQTSA-N 1 0 262.357 0.778 10 0 CCAERO O=C(NCC[S@@](=O)Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000237889083 189892965 /nfs/dbraw/zinc/89/29/65/189892965.db2.gz OSMIOGXYAHQNAC-BFUOFWGJSA-N 1 0 280.393 0.804 10 0 CCAERO C[C@H](NC(=O)N[C@H]1CCCC[NH2+]C1)[C@@H]1CCOC1 ZINC000333155680 205077484 /nfs/dbraw/zinc/07/74/84/205077484.db2.gz FRVUZYJLHAJUAU-TUAOUCFPSA-N 1 0 255.362 0.853 10 0 CCAERO C[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H](F)C[C@H]1CO ZINC000333206979 205117277 /nfs/dbraw/zinc/11/72/77/205117277.db2.gz AVYNYEHWBDIIPD-AXFHLTTASA-N 1 0 259.325 0.195 10 0 CCAERO CC(C)n1[nH]cnc1=NC(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000333421657 205306146 /nfs/dbraw/zinc/30/61/46/205306146.db2.gz SQOKIRLQCRPCHZ-MNOVXSKESA-N 1 0 280.376 0.837 10 0 CCAERO CC(C)n1[nH]cnc1=NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000333463252 205341976 /nfs/dbraw/zinc/34/19/76/205341976.db2.gz ZMWKGGWIVIQPNO-LLVKDONJSA-N 1 0 278.360 0.593 10 0 CCAERO O=C(N[C@@H]1CCO[C@@H]1C1CC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000333516205 205394727 /nfs/dbraw/zinc/39/47/27/205394727.db2.gz GDRRHMIEWQXTMP-AAVRWANBSA-N 1 0 279.384 0.947 10 0 CCAERO C[C@H]1OCC[C@H]1NC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000333514809 205395821 /nfs/dbraw/zinc/39/58/21/205395821.db2.gz GAPVJFQXAKMIEV-NQBHXWOUSA-N 1 0 255.362 0.853 10 0 CCAERO C[C@H]1CN(C(=O)N[C@@H]2CCO[C@H]2c2cnn(C)c2)C[C@@H]1[NH3+] ZINC000333622181 205516578 /nfs/dbraw/zinc/51/65/78/205516578.db2.gz UMRASWTXWJKVPK-SYEHKZFSSA-N 1 0 293.371 0.239 10 0 CCAERO CN(C(=O)NCCC1CC(F)(F)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333788462 205704317 /nfs/dbraw/zinc/70/43/17/205704317.db2.gz MDMCZFZEGRBFMQ-UWVGGRQHSA-N 1 0 277.315 0.396 10 0 CCAERO COC[C@H]1CCC[N@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000246693130 189931202 /nfs/dbraw/zinc/93/12/02/189931202.db2.gz HZIGYFCJFBESIY-QWHCGFSZSA-N 1 0 297.399 0.069 10 0 CCAERO CO[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@H]1OC ZINC000333926593 205839217 /nfs/dbraw/zinc/83/92/17/205839217.db2.gz VNZUMQHALBKFHW-XVIXHAIJSA-N 1 0 297.399 0.430 10 0 CCAERO [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000637883615 374448118 /nfs/dbraw/zinc/44/81/18/374448118.db2.gz QJNCDYVOTRWQOI-WZRBSPASSA-N 1 0 262.309 0.743 10 0 CCAERO [NH3+]C[C@]1(C(=O)NC[C@H]2CCC[C@H]2O)CCCOC1 ZINC000637964130 374512457 /nfs/dbraw/zinc/51/24/57/374512457.db2.gz HECCMMMILFSNHJ-NQBHXWOUSA-N 1 0 256.346 0.019 10 0 CCAERO COC[C@@]1(C(=O)N[C@H]2CCCOC2)CCCC[NH2+]1 ZINC000637982116 374527747 /nfs/dbraw/zinc/52/77/47/374527747.db2.gz QUZPROSHDIOUQW-WCQYABFASA-N 1 0 256.346 0.440 10 0 CCAERO COC[C@]1(C(=O)NC[C@H]2CCCC[C@H]2O)CCCC[NH2+]1 ZINC000638012477 374555927 /nfs/dbraw/zinc/55/59/27/374555927.db2.gz XGCTVWWWLNVVBH-NFAWXSAZSA-N 1 0 284.400 0.812 10 0 CCAERO C[C@H](CC(=O)N1CCC[C@H]1C(N)=O)[C@H]1CCC[NH2+]C1 ZINC000251566130 189970975 /nfs/dbraw/zinc/97/09/75/189970975.db2.gz MRLTWQPKXVRFBB-WOPDTQHZSA-N 1 0 267.373 0.489 10 0 CCAERO CN1CCN(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000334225146 206218015 /nfs/dbraw/zinc/21/80/15/206218015.db2.gz AUGACIPPQCVIAT-VXGBXAGGSA-N 1 0 254.378 0.426 10 0 CCAERO CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000638235379 374828706 /nfs/dbraw/zinc/82/87/06/374828706.db2.gz OFHZZMYFWYVERD-USWWRNFRSA-N 1 0 255.362 0.485 10 0 CCAERO CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000638235377 374829144 /nfs/dbraw/zinc/82/91/44/374829144.db2.gz OFHZZMYFWYVERD-JLLWLGSASA-N 1 0 255.362 0.485 10 0 CCAERO CC[C@@H](NC(C)=O)C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000638193124 374773051 /nfs/dbraw/zinc/77/30/51/374773051.db2.gz OSLCLVNTGXOPIM-NWDGAFQWSA-N 1 0 255.362 0.502 10 0 CCAERO CC(C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CN(C)CCO1 ZINC000638273930 374875107 /nfs/dbraw/zinc/87/51/07/374875107.db2.gz COGNPXJEOJQBEC-VXGBXAGGSA-N 1 0 257.378 0.197 10 0 CCAERO O=C([C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N1CCO[C@H](CCF)C1 ZINC000638683528 375291158 /nfs/dbraw/zinc/29/11/58/375291158.db2.gz JDXIXXMDWJPXLD-OPRDCNLKSA-N 1 0 298.280 0.971 10 0 CCAERO [NH3+]CC1(C(=O)N[C@@H]2CO[C@@H](C3CC3)C2)CCOCC1 ZINC000638694699 375300105 /nfs/dbraw/zinc/30/01/05/375300105.db2.gz HKOHZDOOQPZNDW-NWDGAFQWSA-N 1 0 268.357 0.426 10 0 CCAERO COC[C@]1(C(=O)N[C@H]2CO[C@H](C3CC3)C2)CCC[NH2+]1 ZINC000638694994 375300659 /nfs/dbraw/zinc/30/06/59/375300659.db2.gz JZWBHYZUZNNCDD-DYEKYZERSA-N 1 0 268.357 0.439 10 0 CCAERO CCN1CC[C@H](NC(=O)C[C@@H]2CCC[NH2+]C2)C1=O ZINC000638826363 375394020 /nfs/dbraw/zinc/39/40/20/375394020.db2.gz NMAPRBPLKNTKFP-QWRGUYRKSA-N 1 0 253.346 0.113 10 0 CCAERO C[C@H]1CN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CCS1(=O)=O ZINC000638853889 375409058 /nfs/dbraw/zinc/40/90/58/375409058.db2.gz QTCUERUTGLKXIF-AXFHLTTASA-N 1 0 274.386 0.149 10 0 CCAERO C[C@H](NC(=O)c1ccco1)C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638885958 375425590 /nfs/dbraw/zinc/42/55/90/375425590.db2.gz PKVGONPVNQYIMS-VWYCJHECSA-N 1 0 279.340 0.451 10 0 CCAERO C[C@@H]1CN(C(=O)c2cnc3sccn3c2=O)C[C@@H]1C[NH3+] ZINC000638887668 375426943 /nfs/dbraw/zinc/42/69/43/375426943.db2.gz MGPMFWPDZWGENW-BDAKNGLRSA-N 1 0 292.364 0.423 10 0 CCAERO C[C@H]1CN(C(=O)CNC(=O)c2ccccc2)C[C@H]1C[NH3+] ZINC000638887492 375427090 /nfs/dbraw/zinc/42/70/90/375427090.db2.gz VHSOSVHJTBPGHT-WCQYABFASA-N 1 0 275.352 0.470 10 0 CCAERO C[C@@H]1CN(C(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)C[C@@H]1C[NH3+] ZINC000638889405 375429488 /nfs/dbraw/zinc/42/94/88/375429488.db2.gz URQKLFMEXVVMCG-YAMSLAJTSA-N 1 0 297.424 0.494 10 0 CCAERO CC(=O)N[C@H](CC(C)C)C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638902627 375439532 /nfs/dbraw/zinc/43/95/32/375439532.db2.gz LGUFMEUMUNSULG-CYZMBNFOSA-N 1 0 269.389 0.590 10 0 CCAERO [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)C2)c2ccccc21 ZINC000639070176 375558882 /nfs/dbraw/zinc/55/88/82/375558882.db2.gz DEWSDCDAXKPUAV-QWRGUYRKSA-N 1 0 273.336 0.602 10 0 CCAERO O=C(C[C@H]1COCC[NH2+]1)NC[C@H](O)c1ccc(Cl)cc1 ZINC000262287695 190052204 /nfs/dbraw/zinc/05/22/04/190052204.db2.gz YCWYEUJTPRVMTM-STQMWFEESA-N 1 0 298.770 0.868 10 0 CCAERO Cc1ccccc1C1(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000262483394 190055988 /nfs/dbraw/zinc/05/59/88/190055988.db2.gz IEXOZDFTESOVCH-OCCSQVGLSA-N 1 0 274.364 0.866 10 0 CCAERO COCCOc1ccc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1F ZINC000262502478 190056455 /nfs/dbraw/zinc/05/64/55/190056455.db2.gz KUODMYABBIHFGJ-PWSUYJOCSA-N 1 0 298.314 0.512 10 0 CCAERO COC(=O)CCc1ccc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000262522809 190056963 /nfs/dbraw/zinc/05/69/63/190056963.db2.gz OCLPZNMPFBTGQJ-OLZOCXBDSA-N 1 0 292.335 0.454 10 0 CCAERO O=C(NCc1csc(-c2ccco2)n1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262547375 190057384 /nfs/dbraw/zinc/05/73/84/190057384.db2.gz SHXUBXFFTBQZKE-ZJUUUORDSA-N 1 0 293.348 0.742 10 0 CCAERO CC[NH+](CC)CCN1CCS(=O)(=O)C[C@H](C)C1 ZINC000192123912 284624410 /nfs/dbraw/zinc/62/44/10/284624410.db2.gz UFOFDGBEHSIGPG-GFCCVEGCSA-N 1 0 262.419 0.695 10 0 CCAERO CC[C@](C)(O)C[NH+]1CCN(CC(=O)N2CCCCC2)CC1 ZINC000123245864 284691714 /nfs/dbraw/zinc/69/17/14/284691714.db2.gz PARQFAIIDNVCCE-INIZCTEOSA-N 1 0 297.443 0.778 10 0 CCAERO CC(=O)NCCNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000126316080 284721870 /nfs/dbraw/zinc/72/18/70/284721870.db2.gz SNUKYKVEISUBPY-GFCCVEGCSA-N 1 0 272.393 0.398 10 0 CCAERO CC(C)N1CCN(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)CC1=O ZINC000334965493 207377018 /nfs/dbraw/zinc/37/70/18/207377018.db2.gz DJZVELMMZRLGGJ-IUODEOHRSA-N 1 0 296.415 0.576 10 0 CCAERO CC(C)COC[C@H](O)C[NH2+]C1CCS(=O)(=O)CC1 ZINC000037893193 184543998 /nfs/dbraw/zinc/54/39/98/184543998.db2.gz IXJUFONIXBALQQ-GFCCVEGCSA-N 1 0 279.402 0.187 10 0 CCAERO C[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H]1CCNCC1(F)F 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Cn1cc([C@@H]2CCN(c3cc[nH+]cc3C(N)=O)C2)cn1 ZINC000302219273 389065497 /nfs/dbraw/zinc/06/54/97/389065497.db2.gz LOTWGXMBXWXPGP-SNVBAGLBSA-N 1 0 271.324 0.908 10 0 CCAERO CC[N@H+](CCO)CCNc1nc(N)c2ccccc2n1 ZINC000302218301 389065567 /nfs/dbraw/zinc/06/55/67/389065567.db2.gz KQOXWBLJGBBDKB-UHFFFAOYSA-N 1 0 275.356 0.938 10 0 CCAERO CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H](C)COC)CC1 ZINC000103448804 389077877 /nfs/dbraw/zinc/07/78/77/389077877.db2.gz XPQZDAHLNWWKII-ZDUSSCGKSA-N 1 0 299.415 0.282 10 0 CCAERO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCNC(=O)CC1 ZINC000105234066 389085378 /nfs/dbraw/zinc/08/53/78/389085378.db2.gz ZLWHKDJXXSVOSP-NSHDSACASA-N 1 0 270.377 0.248 10 0 CCAERO COCC[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000105801231 389087919 /nfs/dbraw/zinc/08/79/19/389087919.db2.gz LZIPWIGOLOKOEP-UHFFFAOYSA-N 1 0 250.346 0.944 10 0 CCAERO CC[C@@H](C(N)=O)[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000105863653 389089162 /nfs/dbraw/zinc/08/91/62/389089162.db2.gz YKKWUTQARDNLHG-AWEZNQCLSA-N 1 0 293.415 0.543 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCN2CCOCC2)C1 ZINC000194136966 389089241 /nfs/dbraw/zinc/08/92/41/389089241.db2.gz MVIYHUBDUWMFGG-CYBMUJFWSA-N 1 0 284.404 0.102 10 0 CCAERO C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000105883855 389089265 /nfs/dbraw/zinc/08/92/65/389089265.db2.gz JSTXOMXWJIWGSE-NWDGAFQWSA-N 1 0 263.345 0.536 10 0 CCAERO COc1c(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c(C)nn1C ZINC000121036197 389146166 /nfs/dbraw/zinc/14/61/66/389146166.db2.gz ATWOZAYSCMGKJR-CYBMUJFWSA-N 1 0 294.399 0.644 10 0 CCAERO CN(C[C@H](O)C[N@@H+]1CCC[C@H]1CCCO)C1CC1 ZINC000310904652 389100061 /nfs/dbraw/zinc/10/00/61/389100061.db2.gz CWOWVMRDUZHDLM-KBPBESRZSA-N 1 0 256.390 0.678 10 0 CCAERO CC[N@H+](C)C[C@H](O)CN1C[C@@H]2CCCC[NH+]2C[C@H]1C ZINC000311945948 389105825 /nfs/dbraw/zinc/10/58/25/389105825.db2.gz KKRFWOMGETURPI-ILXRZTDVSA-N 1 0 269.433 0.858 10 0 CCAERO C[C@H](NC(=O)NCC1CC[NH+](CCO)CC1)[C@@H]1CCCO1 ZINC000111825860 389115276 /nfs/dbraw/zinc/11/52/76/389115276.db2.gz MTCDGRGBIZESLX-JSGCOSHPSA-N 1 0 299.415 0.557 10 0 CCAERO CC[NH+](CC)CC(=O)N1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000112066332 389118037 /nfs/dbraw/zinc/11/80/37/389118037.db2.gz CEXIHIILWUHAGD-CQSZACIVSA-N 1 0 294.399 0.761 10 0 CCAERO CCCCOC[C@H](O)C[NH2+][C@@H](C(=O)NC)C(C)C ZINC000195213681 389119008 /nfs/dbraw/zinc/11/90/08/389119008.db2.gz MYGOUANFWBJCHN-VXGBXAGGSA-N 1 0 260.378 0.524 10 0 CCAERO CN(C)C(=O)[C@H]1CCCN1C(=O)C1CC[NH+](C2CC2)CC1 ZINC000195321689 389124293 /nfs/dbraw/zinc/12/42/93/389124293.db2.gz CLZCDYYPFDBURR-CQSZACIVSA-N 1 0 293.411 0.940 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)Nc1nncs1 ZINC000113267961 389129463 /nfs/dbraw/zinc/12/94/63/389129463.db2.gz GFLVAXDVRUDEJZ-NXEZZACHSA-N 1 0 281.385 0.645 10 0 CCAERO CC(C)c1cc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)[nH]n1 ZINC000116785738 389134862 /nfs/dbraw/zinc/13/48/62/389134862.db2.gz IWBMWQJEFPQXRU-LLVKDONJSA-N 1 0 280.372 0.936 10 0 CCAERO CN(C)c1ccnc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000116977946 389135223 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O=C(NCC[C@H]1CCCO1)[C@@H]1C[NH2+]CCC1(F)F ZINC000647917986 390217362 /nfs/dbraw/zinc/21/73/62/390217362.db2.gz NASFVDAOQZGOSQ-ZJUUUORDSA-N 1 0 262.300 0.917 10 0 CCAERO CC[C@@H]1CN(Cc2nnnn2C(C)C)CC[C@H]1[NH3+] ZINC000647934665 390222262 /nfs/dbraw/zinc/22/22/62/390222262.db2.gz MADWUQZIRJKVOM-GHMZBOCLSA-N 1 0 252.366 0.813 10 0 CCAERO O=C(NC[C@H]1CC[NH2+]C1)[C@@H]1CCCN1C(=O)C1CC1 ZINC000648109486 390289688 /nfs/dbraw/zinc/28/96/88/390289688.db2.gz TWBQZKKCJIQUQE-JQWIXIFHSA-N 1 0 265.357 0.113 10 0 CCAERO CCCCOC[C@@H](O)C[NH2+][C@@H]1CCN(CC)C1=O ZINC000644643089 390274894 /nfs/dbraw/zinc/27/48/94/390274894.db2.gz YCWPYLDBUVYZDB-NWDGAFQWSA-N 1 0 258.362 0.374 10 0 CCAERO COCCC1(C(=O)NC[C@@H](C)COC)CC[NH2+]CC1 ZINC000643660764 390493292 /nfs/dbraw/zinc/49/32/92/390493292.db2.gz BLZUGVQIMKKUGG-GFCCVEGCSA-N 1 0 272.389 0.791 10 0 CCAERO O=C(NCCOCc1ccccc1)[C@@H]1C[NH2+]CCOC1 ZINC000643676522 390497611 /nfs/dbraw/zinc/49/76/11/390497611.db2.gz MEVBBIYTZMHWNP-CQSZACIVSA-N 1 0 278.352 0.555 10 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JKBJWUZLZLPMPZ-LLVKDONJSA-N 1 0 252.289 0.678 10 0 CCAERO COC[C@@]1(C(=O)Nc2cc(C)nn2C)CCC[NH2+]1 ZINC000643617957 390472207 /nfs/dbraw/zinc/47/22/07/390472207.db2.gz WPUKNQLUQYWNIK-GFCCVEGCSA-N 1 0 252.318 0.436 10 0 CCAERO CCNC(=O)[C@H](C)NC(=O)C1(CCOC)CC[NH2+]CC1 ZINC000643621991 390475600 /nfs/dbraw/zinc/47/56/00/390475600.db2.gz OSCDXROEZAGPPQ-NSHDSACASA-N 1 0 285.388 0.034 10 0 CCAERO O=C(Nc1ccc2oc(=O)[nH]c2c1)[C@@H]1C[NH2+]CCOC1 ZINC000643631096 390482047 /nfs/dbraw/zinc/48/20/47/390482047.db2.gz ZFSFJKYLQFRCEU-MRVPVSSYSA-N 1 0 277.280 0.708 10 0 CCAERO CCn1cc(NC(=O)[C@]2(COC)CCC[NH2+]2)ccc1=O ZINC000643638501 390483564 /nfs/dbraw/zinc/48/35/64/390483564.db2.gz AWFRGHLIEIMNJZ-CQSZACIVSA-N 1 0 279.340 0.575 10 0 CCAERO CCn1cc(NC(=O)[C@H]2C[NH2+]CCOC2)ccc1=O ZINC000643638740 390483732 /nfs/dbraw/zinc/48/37/32/390483732.db2.gz MYGOTPDBUPVZOM-JTQLQIEISA-N 1 0 265.313 0.043 10 0 CCAERO O=C([C@H]1C[NH2+]CCOC1)N1CCC[C@H]1c1cccnc1 ZINC000643767638 390538137 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ZINC000643991562 390616612 /nfs/dbraw/zinc/61/66/12/390616612.db2.gz KZBWVMWKDHRRNY-WDEREUQCSA-N 1 0 289.326 0.358 10 0 CCAERO COc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)ccc1F ZINC000647038028 390762608 /nfs/dbraw/zinc/76/26/08/390762608.db2.gz NPVGWFWOYKNKFG-ONGXEEELSA-N 1 0 268.288 0.144 10 0 CCAERO CC[C@H]1C[NH2+]CCN1CN1C(=O)c2ccccc2C1=O ZINC000575594703 390842251 /nfs/dbraw/zinc/84/22/51/390842251.db2.gz LROKNQUATLEESM-NSHDSACASA-N 1 0 273.336 0.924 10 0 CCAERO COC(=O)CCCCCNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000449166759 533366757 /nfs/dbraw/zinc/36/67/57/533366757.db2.gz GAXWQTKGZPMDOA-GHMZBOCLSA-N 1 0 256.346 0.692 10 0 CCAERO C[C@@H]([NH2+][C@@H]1CCNC1=O)c1cccc(-n2cnnn2)c1 ZINC000658054282 413094432 /nfs/dbraw/zinc/09/44/32/413094432.db2.gz PNLJNFNDROJRMN-BXKDBHETSA-N 1 0 272.312 0.201 10 0 CCAERO CCC[C@@H]([NH3+])C(=O)Nc1ccc(S(=O)(=O)NC)cc1 ZINC000037040419 397379527 /nfs/dbraw/zinc/37/95/27/397379527.db2.gz CKMWJOFUHANAIS-LLVKDONJSA-N 1 0 285.369 0.661 10 0 CCAERO [NH3+]C1CCC(C(=O)NCCCn2ccnc2)CC1 ZINC000037626085 397382606 /nfs/dbraw/zinc/38/26/06/397382606.db2.gz PVANPLKOVJWXNF-UHFFFAOYSA-N 1 0 250.346 0.907 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)C1=Cc2ccccc2OC1 ZINC000262137184 143940846 /nfs/dbraw/zinc/94/08/46/143940846.db2.gz GWTVGTJYYNESIV-STQMWFEESA-N 1 0 274.320 0.159 10 0 CCAERO CC(C)(C(=O)NCCc1cscn1)N1CC[NH2+]CC1 ZINC000131295259 397412815 /nfs/dbraw/zinc/41/28/15/397412815.db2.gz PDNFPXUUXCOJFR-UHFFFAOYSA-N 1 0 282.413 0.486 10 0 CCAERO C[C@H]1CSCCN1C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131299562 397413658 /nfs/dbraw/zinc/41/36/58/397413658.db2.gz NJRXYDTZEKTJBG-NSHDSACASA-N 1 0 271.430 0.634 10 0 CCAERO CN(CCC[NH3+])Cc1cn(C[C@@H](O)C(C)(C)C)nn1 ZINC000380901866 397483114 /nfs/dbraw/zinc/48/31/14/397483114.db2.gz HJIDRSIXNJITPS-GFCCVEGCSA-N 1 0 269.393 0.466 10 0 CCAERO COCC[C@@]1(C(=O)Nc2ncccc2O)CC[NH2+]C1 ZINC000372127299 144354693 /nfs/dbraw/zinc/35/46/93/144354693.db2.gz AJFJUAUBOOFPCP-ZDUSSCGKSA-N 1 0 265.313 0.742 10 0 CCAERO CCN(C)C[C@H](O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000389083884 397509049 /nfs/dbraw/zinc/50/90/49/397509049.db2.gz LXMNPWFWPGQFRA-QLFBSQMISA-N 1 0 270.417 0.926 10 0 CCAERO C[NH2+]CC(=O)N1CCC(OC)(C(F)(F)F)CC1 ZINC000409433080 397524435 /nfs/dbraw/zinc/52/44/35/397524435.db2.gz MHMLHCCBZPFBFR-UHFFFAOYSA-N 1 0 254.252 0.776 10 0 CCAERO Cc1cc(C)n(CCN2CCO[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC000649420792 397610189 /nfs/dbraw/zinc/61/01/89/397610189.db2.gz YXEMPRARFIVCGJ-QWHCGFSZSA-N 1 0 250.346 0.173 10 0 CCAERO CCOCCOCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113228240 286101479 /nfs/dbraw/zinc/10/14/79/286101479.db2.gz RFMBRLUKYZNEPW-STQMWFEESA-N 1 0 270.373 0.735 10 0 CCAERO CCOCCOCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247317702 286102686 /nfs/dbraw/zinc/10/26/86/286102686.db2.gz MGNDMEBYTWRZFU-OLZOCXBDSA-N 1 0 272.389 0.884 10 0 CCAERO CCOCCS(=O)(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000168570767 286124629 /nfs/dbraw/zinc/12/46/29/286124629.db2.gz HNSOQAIYTRGIHB-SNVBAGLBSA-N 1 0 250.364 0.070 10 0 CCAERO COc1nc(N2CC[C@@H]2C[NH3+])ncc1Br ZINC000757153096 581682350 /nfs/dbraw/zinc/68/23/50/581682350.db2.gz SQSMLAFEJOFJQR-ZCFIWIBFSA-N 1 0 273.134 0.785 10 0 CCAERO CCN(CC)S(=O)(=O)C[C@H]([NH3+])c1ccncc1 ZINC000757152381 581697056 /nfs/dbraw/zinc/69/70/56/581697056.db2.gz LBJVNZILOWVARC-NSHDSACASA-N 1 0 257.359 0.753 10 0 CCAERO CCO[C@@H]1C[C@H]([NH2+]CC[C@H](O)COC)C12CCOCC2 ZINC000186439083 286387395 /nfs/dbraw/zinc/38/73/95/286387395.db2.gz KFQOHIKRVFMQRK-MELADBBJSA-N 1 0 287.400 0.948 10 0 CCAERO COc1ccccc1N1CC[C@H](CNC(=O)C2C[NH2+]C2)C1 ZINC000263315626 286501863 /nfs/dbraw/zinc/50/18/63/286501863.db2.gz QDGHWEMVCHYQML-GFCCVEGCSA-N 1 0 289.379 0.857 10 0 CCAERO COCCCNC(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247553295 292358063 /nfs/dbraw/zinc/35/80/63/292358063.db2.gz ZLANAXQMJATLLA-STQMWFEESA-N 1 0 269.389 0.308 10 0 CCAERO CCS(=O)(=O)C1(CNC(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000659380019 413462875 /nfs/dbraw/zinc/46/28/75/413462875.db2.gz VHIHKIXVDJFKFI-NSHDSACASA-N 1 0 288.413 0.460 10 0 CCAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)CC(C)(C)O)C[C@@H]1C ZINC000408287798 287088039 /nfs/dbraw/zinc/08/80/39/287088039.db2.gz UBBSUTCBJOGUNI-WDEREUQCSA-N 1 0 258.362 0.061 10 0 CCAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)CC2(O)CCCCC2)C[C@H]1C ZINC000173290053 287088534 /nfs/dbraw/zinc/08/85/34/287088534.db2.gz DYLPTVWDGJUNDF-ZIAGYGMSSA-N 1 0 298.427 0.985 10 0 CCAERO CC(C)([NH3+])c1cn(CC(=O)NC2CCCCC2)nn1 ZINC000070118845 411690229 /nfs/dbraw/zinc/69/02/29/411690229.db2.gz JKRAUBNJPXUWNC-UHFFFAOYSA-N 1 0 265.361 0.921 10 0 CCAERO [NH3+]Cc1cn(C[C@H](O)COCc2ccccc2)nn1 ZINC000070380495 411692503 /nfs/dbraw/zinc/69/25/03/411692503.db2.gz ZHKUVWLHJNHMEH-ZDUSSCGKSA-N 1 0 262.313 0.315 10 0 CCAERO O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000070252873 411693051 /nfs/dbraw/zinc/69/30/51/411693051.db2.gz DUDHQZSHFWUUOL-WOPDTQHZSA-N 1 0 252.358 0.796 10 0 CCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(CC(N)=O)C1CCCC1 ZINC000111269109 411702491 /nfs/dbraw/zinc/70/24/91/411702491.db2.gz LOVXVBDYTBAPJV-MWLCHTKSSA-N 1 0 253.346 0.098 10 0 CCAERO C[C@]1(C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)CCCC[NH2+]1 ZINC000133611210 411730417 /nfs/dbraw/zinc/73/04/17/411730417.db2.gz HVGHJUWNBPXWLF-TYNCELHUSA-N 1 0 279.384 0.646 10 0 CCAERO Nc1cccnc1C(=O)N1CCN2CCCC[C@H]2C1 ZINC000132507345 411724917 /nfs/dbraw/zinc/72/49/17/411724917.db2.gz TXPQASARSYDEJQ-NSHDSACASA-N 1 0 260.341 0.974 10 0 CCAERO CCOc1cc(N2CCO[C@H]([C@@H](C)[NH3+])C2)ncn1 ZINC000132945013 411726663 /nfs/dbraw/zinc/72/66/63/411726663.db2.gz WBBFQPGIDDUTBY-ZJUUUORDSA-N 1 0 252.318 0.428 10 0 CCAERO CCO[C@@H]1CN(c2ncc(C)c(C)n2)C[C@H]1C[NH3+] ZINC000405236615 411799844 /nfs/dbraw/zinc/79/98/44/411799844.db2.gz YQUGDKIZAQGYCC-VXGBXAGGSA-N 1 0 250.346 0.893 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCN1CCCC1=O ZINC000405452275 411801744 /nfs/dbraw/zinc/80/17/44/411801744.db2.gz QFXFCFOMPWEDHP-QWRGUYRKSA-N 1 0 253.346 0.113 10 0 CCAERO CCO[C@@H]1CN(c2ncccc2S(C)(=O)=O)C[C@H]1C[NH3+] ZINC000405736654 411803043 /nfs/dbraw/zinc/80/30/43/411803043.db2.gz YCPXGMBHDMTKRA-GHMZBOCLSA-N 1 0 299.396 0.285 10 0 CCAERO COC[C@@H](C)NC(=O)COc1ccc(C[NH3+])cc1 ZINC000019398571 170783929 /nfs/dbraw/zinc/78/39/29/170783929.db2.gz HPNIROPSKLCCOO-SNVBAGLBSA-N 1 0 252.314 0.675 10 0 CCAERO Cc1nccn1CCC[N@@H+]1CC[C@H]2OCCN[C@@H]2C1 ZINC000652341655 412031104 /nfs/dbraw/zinc/03/11/04/412031104.db2.gz BSRKIWNWPZLLAL-ZIAGYGMSSA-N 1 0 264.373 0.644 10 0 CCAERO CO[C@@H]1C[C@@H](CO)[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000284561928 196084595 /nfs/dbraw/zinc/08/45/95/196084595.db2.gz INMKKBTZBGQUJH-HRCADAONSA-N 1 0 295.379 0.646 10 0 CCAERO COC(=O)c1ccc(C[NH2+]CCNC(C)=O)cc1 ZINC000020148886 171037824 /nfs/dbraw/zinc/03/78/24/171037824.db2.gz QUCRZNRIXGBNMM-UHFFFAOYSA-N 1 0 250.298 0.699 10 0 CCAERO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC[NH3+])cc1 ZINC000020183013 171046669 /nfs/dbraw/zinc/04/66/69/171046669.db2.gz UZMZLSIROHHWIR-UHFFFAOYSA-N 1 0 271.342 0.224 10 0 CCAERO CCN(c1ccc(OC)cc1)S(=O)(=O)CC[NH3+] ZINC000020261850 171119153 /nfs/dbraw/zinc/11/91/53/171119153.db2.gz FMNMVIKDSPTMOP-UHFFFAOYSA-N 1 0 258.343 0.810 10 0 CCAERO NC(=O)[C@H]1CCCN1Cc1cc(C[NH3+])ccc1F ZINC000020294497 171135364 /nfs/dbraw/zinc/13/53/64/171135364.db2.gz IPJBCNGHCHQJMM-GFCCVEGCSA-N 1 0 251.305 0.734 10 0 CCAERO CNC(=O)NC(=O)[C@H](C)[NH2+]CCc1ccccn1 ZINC000020302891 171140199 /nfs/dbraw/zinc/14/01/99/171140199.db2.gz XSAIAHVPJWKOJR-VIFPVBQESA-N 1 0 250.302 0.058 10 0 CCAERO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCc1ccc(OC)cc1 ZINC000020302876 171140508 /nfs/dbraw/zinc/14/05/08/171140508.db2.gz QWYJPQVDOISZMX-SNVBAGLBSA-N 1 0 279.340 0.671 10 0 CCAERO C[C@@H]([NH3+])c1ccc(O[C@H](C)C(=O)NC(N)=O)cc1 ZINC000020419296 171184026 /nfs/dbraw/zinc/18/40/26/171184026.db2.gz WDUSDORSJLVYII-HTQZYQBOSA-N 1 0 251.286 0.669 10 0 CCAERO [NH3+]CC1(NS(=O)(=O)N2CCCC2)CCCCCC1 ZINC000020431658 171196644 /nfs/dbraw/zinc/19/66/44/171196644.db2.gz MYOPFMPIMPQREE-UHFFFAOYSA-N 1 0 275.418 0.968 10 0 CCAERO O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCN(Cc2ccccc2)CC1 ZINC000020434058 171198882 /nfs/dbraw/zinc/19/88/82/171198882.db2.gz SIZUHYDEYSPLPR-GJZGRUSLSA-N 1 0 289.379 0.054 10 0 CCAERO C[C@H](C(=O)N1CCCC[C@@H]1CCO)N1CC[NH2+]CC1 ZINC000020521345 171234760 /nfs/dbraw/zinc/23/47/60/171234760.db2.gz SSHRZCXVQBULQY-CHWSQXEVSA-N 1 0 269.389 0.044 10 0 CCAERO COC(=O)[C@@H](C[NH3+])Cc1cc(OC)ccc1OC ZINC000020579217 171256777 /nfs/dbraw/zinc/25/67/77/171256777.db2.gz RZUVMTOOYBKNQG-SNVBAGLBSA-N 1 0 253.298 0.994 10 0 CCAERO NC(=O)[C@@H]1CCCN(CC(=O)Nc2ccccc2C[NH3+])C1 ZINC000022173410 171369340 /nfs/dbraw/zinc/36/93/40/171369340.db2.gz NNXSVIZOGYQGLD-GFCCVEGCSA-N 1 0 290.367 0.281 10 0 CCAERO CN(CC(=O)NC1CC1)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653061288 412205546 /nfs/dbraw/zinc/20/55/46/412205546.db2.gz JIEPNGYWPLSKNQ-RKDXNWHRSA-N 1 0 293.289 0.121 10 0 CCAERO C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)c1nc[nH]n1 ZINC000653124125 412232740 /nfs/dbraw/zinc/23/27/40/412232740.db2.gz RIMZRXIXRREDCF-RRKCRQDMSA-N 1 0 277.250 0.380 10 0 CCAERO CCCS(=O)(=O)N1CCN([C@H](C)CC[NH3+])CC1 ZINC000032113278 171706319 /nfs/dbraw/zinc/70/63/19/171706319.db2.gz CWSJFWDKJKNJMB-LLVKDONJSA-N 1 0 263.407 0.081 10 0 CCAERO Oc1ccc([C@@H](O)C[NH2+]CCN2CCOCC2)cc1 ZINC000032114502 171708260 /nfs/dbraw/zinc/70/82/60/171708260.db2.gz GXRSRXXQJHZJCE-AWEZNQCLSA-N 1 0 266.341 0.347 10 0 CCAERO COc1ccc(CN2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)nn1 ZINC000284965628 196166356 /nfs/dbraw/zinc/16/63/56/196166356.db2.gz WSODPTDDLPMAFN-QWHCGFSZSA-N 1 0 278.356 0.390 10 0 CCAERO C[NH2+]Cc1ccc(O[C@@H](C)C(=O)NC(N)=O)cc1 ZINC000034657368 171850567 /nfs/dbraw/zinc/85/05/67/171850567.db2.gz CZPPQVMUKWEGMG-QMMMGPOBSA-N 1 0 251.286 0.368 10 0 CCAERO CCCN(CCC[NH3+])S(=O)(=O)N1CCCCC1 ZINC000034960194 171905285 /nfs/dbraw/zinc/90/52/85/171905285.db2.gz GJYVYFJLQHBBFK-UHFFFAOYSA-N 1 0 263.407 0.778 10 0 CCAERO CCCNC(=O)C[NH2+][C@H](C)C(=O)N[C@@H](C)CCC ZINC000035207106 172052272 /nfs/dbraw/zinc/05/22/72/172052272.db2.gz RBVLLATYVHLWMX-WDEREUQCSA-N 1 0 257.378 0.796 10 0 CCAERO Cc1ccc(CN(C)C(=O)[C@H]([NH3+])CCS(C)(=O)=O)o1 ZINC000035660279 172337360 /nfs/dbraw/zinc/33/73/60/172337360.db2.gz AHIFGZHUELQMDV-LLVKDONJSA-N 1 0 288.369 0.308 10 0 CCAERO CO[C@H]1C[NH2+]C[C@H]1NS(=O)(=O)c1ccc(F)cc1C ZINC000036265270 172559708 /nfs/dbraw/zinc/55/97/08/172559708.db2.gz IINGSQOQMGFWKJ-MNOVXSKESA-N 1 0 288.344 0.399 10 0 CCAERO CN(C1CC[NH2+]CC1)S(=O)(=O)c1ccn(C)c1 ZINC000036299963 172592871 /nfs/dbraw/zinc/59/28/71/172592871.db2.gz SZZWPEWEDXXJRR-UHFFFAOYSA-N 1 0 257.359 0.398 10 0 CCAERO CNC(=O)Cc1ccccc1NC(=O)[C@H]1CCC[NH2+]1 ZINC000037020694 172884449 /nfs/dbraw/zinc/88/44/49/172884449.db2.gz DHVKUMVXJDYZMN-GFCCVEGCSA-N 1 0 261.325 0.666 10 0 CCAERO CCC[C@H](C)N(C)C(=O)[C@H]([NH3+])CCS(C)(=O)=O ZINC000037505082 173240881 /nfs/dbraw/zinc/24/08/81/173240881.db2.gz RMZICXXIEKCYTC-VHSXEESVSA-N 1 0 264.391 0.395 10 0 CCAERO C[NH2+]C1CCN([C@H](C)C(=O)NCc2ccco2)CC1 ZINC000037536894 173255686 /nfs/dbraw/zinc/25/56/86/173255686.db2.gz DZHURHZNFWBDQY-LLVKDONJSA-N 1 0 265.357 0.968 10 0 CCAERO CCN(CC(=O)Nc1ncccn1)C1CC[NH2+]CC1 ZINC000037538089 173257591 /nfs/dbraw/zinc/25/75/91/173257591.db2.gz CWRZPOFYFDIGRY-UHFFFAOYSA-N 1 0 263.345 0.489 10 0 CCAERO CCN(C1CC[NH2+]CC1)S(=O)(=O)c1cc[nH]c1 ZINC000037537830 173257812 /nfs/dbraw/zinc/25/78/12/173257812.db2.gz DHIKKXSGWMZOIM-UHFFFAOYSA-N 1 0 257.359 0.777 10 0 CCAERO CCCN([C@H](C)C(=O)NC(N)=O)C1CC[NH2+]CC1 ZINC000037539329 173260193 /nfs/dbraw/zinc/26/01/93/173260193.db2.gz KHYQOEIWFQDPIO-SECBINFHSA-N 1 0 256.350 0.034 10 0 CCAERO CCCN(CCC[NH3+])S(=O)(=O)c1c[nH]nc1C ZINC000037730240 173649529 /nfs/dbraw/zinc/64/95/29/173649529.db2.gz SMVJRCCUPMVYTP-UHFFFAOYSA-N 1 0 260.363 0.468 10 0 CCAERO CCC[NH2+]C1CCN(S(=O)(=O)c2cn[nH]c2)CC1 ZINC000037744285 173665553 /nfs/dbraw/zinc/66/55/53/173665553.db2.gz MGVYXXDKIYGSEJ-UHFFFAOYSA-N 1 0 272.374 0.562 10 0 CCAERO CN(CCOc1ccc(F)cc1)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000037802170 173740304 /nfs/dbraw/zinc/74/03/04/173740304.db2.gz GYIXBHZKHSSXMR-AAEUAGOBSA-N 1 0 282.315 0.386 10 0 CCAERO CC(C)[NH2+]CCC(=O)N(C)CC(=O)NCC(F)(F)F ZINC000037814069 173761310 /nfs/dbraw/zinc/76/13/10/173761310.db2.gz PJKZJYMUMXBXCO-UHFFFAOYSA-N 1 0 283.294 0.511 10 0 CCAERO CN(Cc1ccc(O)cc1)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000037823227 173777643 /nfs/dbraw/zinc/77/76/43/173777643.db2.gz VVDHGNFZMLSEHJ-VXGBXAGGSA-N 1 0 250.298 0.073 10 0 CCAERO COCCCN(CCOC)C(=O)CC[NH2+]C(C)C ZINC000037901871 173832682 /nfs/dbraw/zinc/83/26/82/173832682.db2.gz KZLJSKRUOIKCPE-UHFFFAOYSA-N 1 0 260.378 0.886 10 0 CCAERO COC(=O)[C@@]1(N2CC[NH2+]CC2)CCc2ccccc21 ZINC000037963718 173906769 /nfs/dbraw/zinc/90/67/69/173906769.db2.gz KGKHSENLVAIMJG-OAHLLOKOSA-N 1 0 260.337 0.906 10 0 CCAERO C[C@H](CN[C@@H]1CC(=O)NC1=O)C[NH+]1CCCCC1 ZINC000038042085 174044321 /nfs/dbraw/zinc/04/43/21/174044321.db2.gz FZEDEZNJVKDITG-GHMZBOCLSA-N 1 0 253.346 0.113 10 0 CCAERO CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000038045781 174053965 /nfs/dbraw/zinc/05/39/65/174053965.db2.gz AFXRTBNSCSGVHG-UWVGGRQHSA-N 1 0 257.334 0.237 10 0 CCAERO C[C@H](Cc1ccco1)[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000038092504 174106358 /nfs/dbraw/zinc/10/63/58/174106358.db2.gz BIGNAYADVDAILP-CHWSQXEVSA-N 1 0 268.357 0.493 10 0 CCAERO C[C@@H]1c2ccsc2CCN1C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000038100899 174115989 /nfs/dbraw/zinc/11/59/89/174115989.db2.gz RZSPDLFOAOCIHA-YWVKMMECSA-N 1 0 266.366 0.917 10 0 CCAERO Cc1n[nH]cc1S(=O)(=O)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749854 174394489 /nfs/dbraw/zinc/39/44/89/174394489.db2.gz QTDBUOSCEZQQIW-PBINXNQUSA-N 1 0 270.358 0.361 10 0 CCAERO CC(C)n1nnnc1CN1C[C@H](C)[C@@](C)(CO)C1 ZINC000662132786 414691856 /nfs/dbraw/zinc/69/18/56/414691856.db2.gz BDDYPHAISDGJOG-CMPLNLGQSA-N 1 0 253.350 0.704 10 0 CCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1nn(C)cc1Br ZINC000662779596 414787128 /nfs/dbraw/zinc/78/71/28/414787128.db2.gz TULCUJWZZCNLTD-SVRRBLITSA-N 1 0 287.161 0.744 10 0 CCAERO COc1cccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c1C ZINC000662562271 414728836 /nfs/dbraw/zinc/72/88/36/414728836.db2.gz IDYYDPVZLIXTPZ-CMPLNLGQSA-N 1 0 264.325 0.314 10 0 CCAERO CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H]1CC(=O)N(C)C1 ZINC000662691684 414741887 /nfs/dbraw/zinc/74/18/87/414741887.db2.gz AAJIHOLDOSRLRM-NWDGAFQWSA-N 1 0 269.389 0.592 10 0 CCAERO CC(C)(C(=O)N1CC[C@@H]2COC[C@H]2C1)N1CC[NH2+]CC1 ZINC000662710050 414744634 /nfs/dbraw/zinc/74/46/34/414744634.db2.gz FQXWLGCJHVQZFC-CHWSQXEVSA-N 1 0 281.400 0.165 10 0 CCAERO [NH3+]CC1(C(=O)NCCc2ccoc2)CCOCC1 ZINC000662871438 414856525 /nfs/dbraw/zinc/85/65/25/414856525.db2.gz MALPNMZZZAJEFO-UHFFFAOYSA-N 1 0 252.314 0.694 10 0 CCAERO CN(C(=O)C1CCOCC1)[C@H](C[NH3+])C(F)(F)F ZINC000662977526 414931190 /nfs/dbraw/zinc/93/11/90/414931190.db2.gz LAXSGIYDCHLFSG-MRVPVSSYSA-N 1 0 254.252 0.761 10 0 CCAERO Cc1c(C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)cnn1C ZINC000662977507 414931391 /nfs/dbraw/zinc/93/13/91/414931391.db2.gz KZAUPWODKQZWBP-MRVPVSSYSA-N 1 0 264.251 0.690 10 0 CCAERO CN(C(=O)COCC(F)(F)F)[C@H](C[NH3+])C(F)(F)F ZINC000662978950 414932034 /nfs/dbraw/zinc/93/20/34/414932034.db2.gz JZKNWQYSLXZEBU-RXMQYKEDSA-N 1 0 282.184 0.913 10 0 CCAERO Cc1noc(CCC(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)n1 ZINC000662979580 414932394 /nfs/dbraw/zinc/93/23/94/414932394.db2.gz VOZWVFNSZVEXGY-ZETCQYMHSA-N 1 0 280.250 0.659 10 0 CCAERO CN(C(=O)Cc1cc[nH]n1)[C@H](C[NH3+])C(F)(F)F ZINC000662982899 414934442 /nfs/dbraw/zinc/93/44/42/414934442.db2.gz GKAARSFKFRGVCG-SSDOTTSWSA-N 1 0 250.224 0.300 10 0 CCAERO CO[C@H](CNC(=O)[C@@H]1C[NH2+]CCOC1)C1CCCC1 ZINC000662922824 414894956 /nfs/dbraw/zinc/89/49/56/414894956.db2.gz YVPSAFJFADTARZ-CHWSQXEVSA-N 1 0 270.373 0.544 10 0 CCAERO CC[C@@H]1CO[C@H](C)CN1S(=O)(=O)CCCC[NH3+] ZINC000042525300 174775195 /nfs/dbraw/zinc/77/51/95/174775195.db2.gz MPPHFPGFGUKZIH-GHMZBOCLSA-N 1 0 264.391 0.554 10 0 CCAERO C[N@@H+]1CC[C@H](Nc2ccccc2S(N)(=O)=O)C1 ZINC000042548051 174787926 /nfs/dbraw/zinc/78/79/26/174787926.db2.gz BKGQKCHURAWDOU-VIFPVBQESA-N 1 0 255.343 0.450 10 0 CCAERO COC[C@H]([NH3+])C(=O)N1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000663004600 414945372 /nfs/dbraw/zinc/94/53/72/414945372.db2.gz NETACLDOEHIPCX-FYBVGQRMSA-N 1 0 266.288 0.231 10 0 CCAERO COCCS(=O)(=O)N(C)CC[C@H]1CCCC[NH2+]1 ZINC000042809104 174883921 /nfs/dbraw/zinc/88/39/21/174883921.db2.gz BEIJEQPAXSRVJO-LLVKDONJSA-N 1 0 264.391 0.427 10 0 CCAERO CN(C[C@H]1CC[N@H+](C)C1)c1ncc(N)cc1C(N)=O ZINC000071188386 176063018 /nfs/dbraw/zinc/06/30/18/176063018.db2.gz KAAIHYRNOCLGBK-VIFPVBQESA-N 1 0 263.345 0.151 10 0 CCAERO CN(CC(=O)N(C)CCC(N)=S)C[C@H]1CC[N@H+](C)C1 ZINC000071189182 176064383 /nfs/dbraw/zinc/06/43/83/176064383.db2.gz KIFIIZGYCFZNQE-NSHDSACASA-N 1 0 286.445 0.005 10 0 CCAERO COCCN(CCC(N)=[NH2+])c1cc(C)nc(C)n1 ZINC000071229270 176091017 /nfs/dbraw/zinc/09/10/17/176091017.db2.gz GTDIMTJTULALCF-UHFFFAOYSA-N 1 0 251.334 0.872 10 0 CCAERO COCCCS(=O)(=O)N(C)C1(C[NH3+])CCCC1 ZINC000071233555 176092560 /nfs/dbraw/zinc/09/25/60/176092560.db2.gz LNMPUXZHZISYQL-UHFFFAOYSA-N 1 0 264.391 0.556 10 0 CCAERO CN(c1ccc(S(N)(=O)=O)cc1)[C@H]1CC[NH2+]C1 ZINC000071311812 176119021 /nfs/dbraw/zinc/11/90/21/176119021.db2.gz KXYHTOHRBNVXCQ-JTQLQIEISA-N 1 0 255.343 0.132 10 0 CCAERO C[C@@H]1CCC[NH2+][C@H]1CNS(=O)(=O)C1CCOCC1 ZINC000071339135 176129250 /nfs/dbraw/zinc/12/92/50/176129250.db2.gz MRRBNPTWQORXBY-PWSUYJOCSA-N 1 0 276.402 0.473 10 0 CCAERO Cc1ccncc1NS(=O)(=O)N(C)CCC[NH3+] ZINC000071414081 176159211 /nfs/dbraw/zinc/15/92/11/176159211.db2.gz IRMAAZNMWUEGGX-UHFFFAOYSA-N 1 0 258.347 0.327 10 0 CCAERO NC(=O)C[N@@H+]1CC[C@H](Cc2cccc(C(N)=O)c2)C1 ZINC000072163635 176330412 /nfs/dbraw/zinc/33/04/12/176330412.db2.gz WIDMXOUZZMGFAI-LLVKDONJSA-N 1 0 261.325 0.135 10 0 CCAERO Nc1cccc(-c2nnc(CN3CC[NH2+]CC3)[nH]2)c1 ZINC000072236839 176345832 /nfs/dbraw/zinc/34/58/32/176345832.db2.gz JRYCCZWRAJVSID-UHFFFAOYSA-N 1 0 258.329 0.459 10 0 CCAERO CNC(=O)c1cnn2c1nccc2[C@H]1CCC[N@@H+]1C ZINC000072379281 176385936 /nfs/dbraw/zinc/38/59/36/176385936.db2.gz IBLLNLKAXUJYDA-SNVBAGLBSA-N 1 0 259.313 0.856 10 0 CCAERO COc1cc(OC)c([C@@H](O)[C@@H]([NH3+])CO)cc1OC ZINC000076307150 176977171 /nfs/dbraw/zinc/97/71/71/176977171.db2.gz XHFHNIPDYDCXNJ-QPUJVOFHSA-N 1 0 257.286 0.065 10 0 CCAERO CC[C@@H](CCC[NH3+])C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000076675217 177055780 /nfs/dbraw/zinc/05/57/80/177055780.db2.gz HNWJZYOPXRSZBR-UWVGGRQHSA-N 1 0 262.375 0.055 10 0 CCAERO [NH3+]CC[C@H](C(=O)NC[C@H]1CCCO1)c1ccccn1 ZINC000076678150 177057081 /nfs/dbraw/zinc/05/70/81/177057081.db2.gz ZVEQWSPAVLBTCM-NEPJUHHUSA-N 1 0 263.341 0.809 10 0 CCAERO C[C@H]([NH3+])[C@@H](c1ccncc1)n1cc(S(C)(=O)=O)cn1 ZINC000725252280 545876517 /nfs/dbraw/zinc/87/65/17/545876517.db2.gz LODZRPIHWBDKOF-CABZTGNLSA-N 1 0 280.353 0.618 10 0 CCAERO COC(C)(C)[C@H]([NH3+])Cn1cc(S(C)(=O)=O)cn1 ZINC000725251677 545877475 /nfs/dbraw/zinc/87/74/75/545877475.db2.gz FAUCGJBZSPEKQY-SECBINFHSA-N 1 0 261.347 0.039 10 0 CCAERO CS(=O)(=O)c1cnn(Cc2ccc(C[NH3+])cc2)c1 ZINC000725252912 545878206 /nfs/dbraw/zinc/87/82/06/545878206.db2.gz PLLBUYRMKSPLCK-UHFFFAOYSA-N 1 0 265.338 0.794 10 0 CCAERO CC[NH2+][C@H]1CCC[C@H]1n1cc(S(C)(=O)=O)cn1 ZINC000725252958 545878792 /nfs/dbraw/zinc/87/87/92/545878792.db2.gz PYFCXZWIRKPVJT-WDEREUQCSA-N 1 0 257.359 0.990 10 0 CCAERO CCC[NH+]1CCC2(CC1)C(=O)CS(=O)(=O)N2CC ZINC000725256570 545880311 /nfs/dbraw/zinc/88/03/11/545880311.db2.gz VNDRETNWXWVZBG-UHFFFAOYSA-N 1 0 274.386 0.465 10 0 CCAERO C[NH2+]Cc1nnn(Cc2ccnn2C)c1C(F)F ZINC000725257213 545880569 /nfs/dbraw/zinc/88/05/69/545880569.db2.gz JHOJPGWCAAHHRS-UHFFFAOYSA-N 1 0 256.260 0.717 10 0 CCAERO CC(C)(C)[NH2+]CC[C@H](CO)[C@H]1CCS(=O)(=O)C1 ZINC000725267148 545886552 /nfs/dbraw/zinc/88/65/52/545886552.db2.gz SXOUEVWARRPKLU-MNOVXSKESA-N 1 0 263.403 0.808 10 0 CCAERO CCCC[NH2+]CC[C@H](CO)[C@@H]1CCS(=O)(=O)C1 ZINC000725266874 545886267 /nfs/dbraw/zinc/88/62/67/545886267.db2.gz KRENMYHRBXIQLU-VXGBXAGGSA-N 1 0 263.403 0.809 10 0 CCAERO OCC[N@H+](Cc1ccccc1)[C@@H]1CCOC[C@H]1O ZINC000725272866 545889321 /nfs/dbraw/zinc/88/93/21/545889321.db2.gz NQLHNPGFZRXCPB-ZIAGYGMSSA-N 1 0 251.326 0.631 10 0 CCAERO C[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccnn1C ZINC000192721535 227271080 /nfs/dbraw/zinc/27/10/80/227271080.db2.gz HQTUHHIPZRRBOP-OLZOCXBDSA-N 1 0 266.389 0.918 10 0 CCAERO C[C@@H](Cn1ccnc1)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054291588 544442704 /nfs/dbraw/zinc/44/27/04/544442704.db2.gz WDOYTJNHNABSMP-NWDGAFQWSA-N 1 0 250.346 0.778 10 0 CCAERO NC(=O)[C@]([NH3+])(Cn1cc(Br)cn1)C1CC1 ZINC000068943253 544449371 /nfs/dbraw/zinc/44/93/71/544449371.db2.gz PGDJLBJWDOSDGT-VIFPVBQESA-N 1 0 273.134 0.238 10 0 CCAERO C[C@@H](NC(=O)CC(C)(C)[NH3+])c1ccc(S(N)(=O)=O)cc1 ZINC000084166088 544490368 /nfs/dbraw/zinc/49/03/68/544490368.db2.gz PKBBDDRINNPOGF-SECBINFHSA-N 1 0 299.396 0.639 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCN(c2ncccn2)CC1 ZINC000089449364 544513614 /nfs/dbraw/zinc/51/36/14/544513614.db2.gz RNAXBIXAOAWDQQ-QWHCGFSZSA-N 1 0 289.383 0.500 10 0 CCAERO CCCN(CC(=O)NC)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089458346 544514079 /nfs/dbraw/zinc/51/40/79/544514079.db2.gz PDFLSWWJIQYZBS-QWRGUYRKSA-N 1 0 255.362 0.346 10 0 CCAERO NC(=O)c1cccc(CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000089459778 544514100 /nfs/dbraw/zinc/51/41/00/544514100.db2.gz GRVIHRLUFDLJCK-QWHCGFSZSA-N 1 0 275.352 0.777 10 0 CCAERO CN(Cc1nccn1C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089457672 544514391 /nfs/dbraw/zinc/51/43/91/544514391.db2.gz KRLFSCZUXHJKRC-GHMZBOCLSA-N 1 0 250.346 0.754 10 0 CCAERO CNC(=O)c1ccc(NC(=O)C[C@@H]2CC[NH2+]C2)cc1 ZINC000089741963 544516940 /nfs/dbraw/zinc/51/69/40/544516940.db2.gz GTZKFSRBEPEXHX-JTQLQIEISA-N 1 0 261.325 0.984 10 0 CCAERO CCC(=O)N1CCCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091544657 544527450 /nfs/dbraw/zinc/52/74/50/544527450.db2.gz JTNXNBAREQCVOC-RYUDHWBXSA-N 1 0 267.373 0.585 10 0 CCAERO Cc1nnc(CN2CC[C@H](c3cnn(C)c3)C2)n1C ZINC000116317409 544565842 /nfs/dbraw/zinc/56/58/42/544565842.db2.gz ZUGZFSZPYOOZJM-NSHDSACASA-N 1 0 260.345 0.847 10 0 CCAERO CC[C@H]1CN(C(=O)NC2CCOCC2)CC[N@@H+]1C[C@@H](C)O ZINC000153346963 544663367 /nfs/dbraw/zinc/66/33/67/544663367.db2.gz ILWMUBORQRMBLH-OCCSQVGLSA-N 1 0 299.415 0.652 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H]2C(=O)NC)C1 ZINC000156494790 544678392 /nfs/dbraw/zinc/67/83/92/544678392.db2.gz HKPCRDMOZUVGBY-VXGBXAGGSA-N 1 0 282.388 0.391 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCN(c2ncccn2)CC1 ZINC000136300456 544637994 /nfs/dbraw/zinc/63/79/94/544637994.db2.gz NVFWGBSMXLFFSB-GFCCVEGCSA-N 1 0 277.372 0.499 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)Nc1cccc(OCC(N)=O)c1 ZINC000136347352 544639143 /nfs/dbraw/zinc/63/91/43/544639143.db2.gz BZUVHIMVIARVDT-GFCCVEGCSA-N 1 0 279.340 0.863 10 0 CCAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)c2cnccn2)C1 ZINC000165250056 544721311 /nfs/dbraw/zinc/72/13/11/544721311.db2.gz FRKQKDOHPMZTJW-RYUDHWBXSA-N 1 0 250.346 0.848 10 0 CCAERO CCN1CCO[C@@H](C[NH2+]C2CC[NH+](CC)CC2)C1 ZINC000165259107 544721369 /nfs/dbraw/zinc/72/13/69/544721369.db2.gz YEQMBQITRXDYQR-AWEZNQCLSA-N 1 0 255.406 0.781 10 0 CCAERO CC[C@H]([NH2+]C[C@H](O)CN1CCCC1=O)[C@@H]1CCCO1 ZINC000182348181 544762041 /nfs/dbraw/zinc/76/20/41/544762041.db2.gz ZTVBUSAMADYULY-AVGNSLFASA-N 1 0 270.373 0.517 10 0 CCAERO CNC(=O)[C@H]([NH2+]CC(=O)NCc1ccco1)C(C)C ZINC000183632748 544767488 /nfs/dbraw/zinc/76/74/88/544767488.db2.gz WLBDBDMDHZNBKI-GFCCVEGCSA-N 1 0 267.329 0.256 10 0 CCAERO COc1cnccc1[C@@H](C)[NH2+]C[C@H](O)CN1CCCC1=O ZINC000187109511 544779678 /nfs/dbraw/zinc/77/96/78/544779678.db2.gz OHBREFMKSHQSHM-NEPJUHHUSA-N 1 0 293.367 0.724 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)N2CCOCC2)C1 ZINC000194145213 544808907 /nfs/dbraw/zinc/80/89/07/544808907.db2.gz CKCWNQNSUNICSP-ZIAGYGMSSA-N 1 0 298.431 0.491 10 0 CCAERO NC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000227373071 544834630 /nfs/dbraw/zinc/83/46/30/544834630.db2.gz JHCSRTGXEBQQJD-AXFHLTTASA-N 1 0 253.346 0.085 10 0 CCAERO CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC[NH2+][C@@H]2C)C1 ZINC000221601762 544818126 /nfs/dbraw/zinc/81/81/26/544818126.db2.gz RZSMTBCTTBLGHA-YUSALJHKSA-N 1 0 253.346 0.112 10 0 CCAERO Cc1cnn(CCNC(=O)[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000226675650 544831691 /nfs/dbraw/zinc/83/16/91/544831691.db2.gz ZEFVBGYTXVLFDY-NWDGAFQWSA-N 1 0 250.346 0.683 10 0 CCAERO CCC[C@H](C(=O)N[C@@H]1CCN(C)C(=O)C1)[NH+](C)C ZINC000190123178 544794064 /nfs/dbraw/zinc/79/40/64/544794064.db2.gz VUXZQPYQWASPHT-GHMZBOCLSA-N 1 0 255.362 0.454 10 0 CCAERO Cc1cnc([C@H](C)NC(=O)C(C)(C)N2CC[NH2+]CC2)o1 ZINC000231743602 544860271 /nfs/dbraw/zinc/86/02/71/544860271.db2.gz CZIDXBUMTHBPRD-NSHDSACASA-N 1 0 280.372 0.844 10 0 CCAERO CC[C@H]1CN(C(=O)c2ccc(C[NH3+])o2)CCN1C[C@H](C)O ZINC000246510222 544910046 /nfs/dbraw/zinc/91/00/46/544910046.db2.gz QKIWAHCOCQBBPE-RYUDHWBXSA-N 1 0 295.383 0.656 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@]1(O)CCSC1 ZINC000247400858 544912224 /nfs/dbraw/zinc/91/22/24/544912224.db2.gz LNCAZGOMQLITMM-NTZNESFSSA-N 1 0 270.398 0.550 10 0 CCAERO CC[C@@H]1CN(C(=O)N[C@@H]2CCOC2)CC[N@@H+]1C[C@H](C)O ZINC000248448465 544914365 /nfs/dbraw/zinc/91/43/65/544914365.db2.gz DQJMQOBQEFHUIW-YNEHKIRRSA-N 1 0 285.388 0.262 10 0 CCAERO O[C@H](C[NH2+]C[C@H]1CCC[C@H]1O)COCc1ccco1 ZINC000250082337 544921219 /nfs/dbraw/zinc/92/12/19/544921219.db2.gz JGHBWZFTQGIFBF-YRGRVCCFSA-N 1 0 269.341 0.908 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000250634168 544923893 /nfs/dbraw/zinc/92/38/93/544923893.db2.gz FCBQKTZDEQLQJC-GARJFASQSA-N 1 0 274.386 0.055 10 0 CCAERO CC(C)OCCN1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261622370 544935998 /nfs/dbraw/zinc/93/59/98/544935998.db2.gz AWLUUPJLFWYXMK-HUUCEWRRSA-N 1 0 297.443 0.931 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc2c(c1)COC2 ZINC000262063990 544937729 /nfs/dbraw/zinc/93/77/29/544937729.db2.gz BCEOVABZYGBPQC-STQMWFEESA-N 1 0 262.309 0.027 10 0 CCAERO COc1cc(OC)cc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000262055951 544938134 /nfs/dbraw/zinc/93/81/34/544938134.db2.gz ALKQQFKYJGAENE-ZWNOBZJWSA-N 1 0 280.324 0.014 10 0 CCAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1csc(-c2ccccn2)n1 ZINC000262080199 544939838 /nfs/dbraw/zinc/93/98/38/544939838.db2.gz FAZHEFYVKFNJPD-GWCFXTLKSA-N 1 0 290.392 0.875 10 0 CCAERO CCn1nc(CNC[C@H]2C[NH2+]C[C@H]2O)c2ccccc21 ZINC000262148715 544941653 /nfs/dbraw/zinc/94/16/53/544941653.db2.gz QSQUWOFXMQLLBN-XHDPSFHLSA-N 1 0 274.368 0.726 10 0 CCAERO C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000333809073 545043462 /nfs/dbraw/zinc/04/34/62/545043462.db2.gz ZUAAZFZFBOQWNN-VXGBXAGGSA-N 1 0 277.372 0.995 10 0 CCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCO[C@@H]1C ZINC000332764497 545032922 /nfs/dbraw/zinc/03/29/22/545032922.db2.gz HXTBMQMXJAGFRE-UPJWGTAASA-N 1 0 285.388 0.574 10 0 CCAERO C[C@H]1OCC[C@@H]1NC(=O)NCC[N@H+]1CC=CCC1 ZINC000332946524 545036822 /nfs/dbraw/zinc/03/68/22/545036822.db2.gz PLAYNNFRIKPRJI-NEPJUHHUSA-N 1 0 253.346 0.725 10 0 CCAERO C[C@@H]1CN(C(=O)NCc2ccn3ccnc3c2)C[C@H]1[NH3+] ZINC000333676292 545041683 /nfs/dbraw/zinc/04/16/83/545041683.db2.gz YZUNZQGAZKUBGA-ZYHUDNBSSA-N 1 0 273.340 0.823 10 0 CCAERO CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CCCC(=O)N1 ZINC000333685178 545041685 /nfs/dbraw/zinc/04/16/85/545041685.db2.gz FOIZIYTZHXDPQO-MNOVXSKESA-N 1 0 253.346 0.208 10 0 CCAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N1CC2(C1)CCCOC2 ZINC000333680062 545041728 /nfs/dbraw/zinc/04/17/28/545041728.db2.gz OPYJZYKIJYBWSI-NEPJUHHUSA-N 1 0 267.373 0.949 10 0 CCAERO CN(C(=O)NCCC1CCCCC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333728579 545042336 /nfs/dbraw/zinc/04/23/36/545042336.db2.gz HLUPXLSPWYKLAH-STQMWFEESA-N 1 0 269.389 0.931 10 0 CCAERO CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H](C)[C@@H]1CO ZINC000305426381 280022732 /nfs/dbraw/zinc/02/27/32/280022732.db2.gz BUGBQBMSBARULO-MNOVXSKESA-N 1 0 264.391 0.019 10 0 CCAERO C[C@H](C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O)C1C[NH2+]C1 ZINC000262019520 274461663 /nfs/dbraw/zinc/46/16/63/274461663.db2.gz XFVXIFWVEYJIMM-IINYFYTJSA-N 1 0 287.363 0.281 10 0 CCAERO Cc1cnn(CCC(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000116788940 274829794 /nfs/dbraw/zinc/82/97/94/274829794.db2.gz BXAIPKDGCXLROT-ZDUSSCGKSA-N 1 0 280.372 0.371 10 0 CCAERO CC(C)[C@@H](C(=O)N1CCc2c(ncn(C)c2=O)C1)[NH+](C)C ZINC000357806645 275977681 /nfs/dbraw/zinc/97/76/81/275977681.db2.gz NHQZKUWTYLPFLV-ZDUSSCGKSA-N 1 0 292.383 0.251 10 0 CCAERO CC(C)[C@@H]1N(C(=O)NC2C[NH2+]C2)C[C@]12CCCO2 ZINC000335393279 276004357 /nfs/dbraw/zinc/00/43/57/276004357.db2.gz DFJUFMHRCPVOQE-WCQYABFASA-N 1 0 253.346 0.557 10 0 CCAERO CCCS(=O)(=O)CCN1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000227765955 276019851 /nfs/dbraw/zinc/01/98/51/276019851.db2.gz CILYTFUETNGMQS-VXGBXAGGSA-N 1 0 278.418 0.249 10 0 CCAERO CC(C)c1noc(N2CC[C@@H](N3CC[NH2+]CC3)C2)n1 ZINC000333519290 276078499 /nfs/dbraw/zinc/07/84/99/276078499.db2.gz KGVXBJAETQTVBS-LLVKDONJSA-N 1 0 265.361 0.677 10 0 CCAERO CCC[C@@H](NC(N)=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000262580400 276271426 /nfs/dbraw/zinc/27/14/26/276271426.db2.gz LRJICUVCQYHPMV-HBNTYKKESA-N 1 0 270.377 0.409 10 0 CCAERO CC[C@@H]1COCCN1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333497303 276507992 /nfs/dbraw/zinc/50/79/92/276507992.db2.gz FACDOVSGGVSCRU-VXGBXAGGSA-N 1 0 255.362 0.949 10 0 CCAERO CN(C(=O)N[C@H]1CCOc2ccccc21)[C@H]1C[NH2+]C[C@@H]1O ZINC000333123836 276730139 /nfs/dbraw/zinc/73/01/39/276730139.db2.gz AUQCDJLADONDME-AVGNSLFASA-N 1 0 291.351 0.484 10 0 CCAERO CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000236815011 276976303 /nfs/dbraw/zinc/97/63/03/276976303.db2.gz IVLBYJVRNSTXOY-IJLUTSLNSA-N 1 0 253.346 0.241 10 0 CCAERO CN1C(=O)CC[C@@H]([NH2+][C@H]2COc3ccccc3C2)C1=O ZINC000328648834 277007461 /nfs/dbraw/zinc/00/74/61/277007461.db2.gz IOHICNWARWWIGE-VXGBXAGGSA-N 1 0 274.320 0.727 10 0 CCAERO CC(C)(C)OC(=O)N1CCC(N2CC([C@H]([NH3+])CO)C2)CC1 ZINC000090410979 277181020 /nfs/dbraw/zinc/18/10/20/277181020.db2.gz GGTBLAXNVIUSMZ-CYBMUJFWSA-N 1 0 299.415 0.637 10 0 CCAERO CN1CC[C@](O)(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)C1 ZINC000358249640 277184125 /nfs/dbraw/zinc/18/41/25/277184125.db2.gz KRECWCBCOLLPTN-BYNQJWBRSA-N 1 0 254.374 0.456 10 0 CCAERO C[N@H+]1C[C@H]2CN(C[C@@H]3CC4(CCC4)C(=O)O3)C[C@H]2C1 ZINC000193606557 277198065 /nfs/dbraw/zinc/19/80/65/277198065.db2.gz PZYVIDQHBKLXMX-XQQFMLRXSA-N 1 0 264.369 0.966 10 0 CCAERO CC(C)(C)[C@@H](NC(=O)C[C@H]1CSCC[NH2+]1)C(N)=O ZINC000132866037 277225333 /nfs/dbraw/zinc/22/53/33/277225333.db2.gz AUHFIVXEMIXUMX-WPRPVWTQSA-N 1 0 273.402 0.098 10 0 CCAERO CO[C@@H]1CC[C@H]2OCCN(C(=O)C3C[NH2+]C3)[C@@H]2C1 ZINC000263335719 277296418 /nfs/dbraw/zinc/29/64/18/277296418.db2.gz WHAHQTCTFLXPON-IJLUTSLNSA-N 1 0 254.330 0.001 10 0 CCAERO COC(=O)CC[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000177250734 277319026 /nfs/dbraw/zinc/31/90/26/277319026.db2.gz XKPFMMKPOPKODS-RYUDHWBXSA-N 1 0 256.346 0.202 10 0 CCAERO COC[C@H]([NH3+])C(=O)N1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000367533961 277594532 /nfs/dbraw/zinc/59/45/32/277594532.db2.gz QBGSJZSHNITDRW-ZETCQYMHSA-N 1 0 292.261 0.287 10 0 CCAERO C[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000333133104 278046343 /nfs/dbraw/zinc/04/63/43/278046343.db2.gz XCKCTWDAHJGXCZ-SDDRHHMPSA-N 1 0 280.372 0.143 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000193628532 278049596 /nfs/dbraw/zinc/04/95/96/278049596.db2.gz WBDCSNGKEIDGPR-HBNTYKKESA-N 1 0 253.346 0.112 10 0 CCAERO CC(C)c1nc2n(n1)C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)CC2 ZINC000408261720 278077530 /nfs/dbraw/zinc/07/75/30/278077530.db2.gz SPWRPENMTRKEIC-RYUDHWBXSA-N 1 0 291.399 0.927 10 0 CCAERO COc1ncccc1CN1CCN2CC[N@H+](C)C[C@H]2C1 ZINC000065507902 278094972 /nfs/dbraw/zinc/09/49/72/278094972.db2.gz XXENLFJQOIASBD-AWEZNQCLSA-N 1 0 276.384 0.522 10 0 CCAERO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)[C@@H]1CCC(=O)[C@H](C)C1 ZINC000329241809 278097763 /nfs/dbraw/zinc/09/77/63/278097763.db2.gz RZMZYQIKHPZQPC-AAVRWANBSA-N 1 0 296.411 0.905 10 0 CCAERO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000186281416 278129250 /nfs/dbraw/zinc/12/92/50/278129250.db2.gz VVIBVFUKCRPCEY-RYUDHWBXSA-N 1 0 269.389 0.892 10 0 CCAERO CC(C)n1nnnc1CN1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000329048002 278155293 /nfs/dbraw/zinc/15/52/93/278155293.db2.gz VPZWCVOUROULCZ-VXGBXAGGSA-N 1 0 280.376 0.159 10 0 CCAERO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000249353512 278205671 /nfs/dbraw/zinc/20/56/71/278205671.db2.gz QIHLSXDXCOCZNC-XTNFGFQESA-N 1 0 284.400 0.497 10 0 CCAERO C[C@H](CNC(=O)[C@@H]1OC[C@H]2COCC[C@@H]21)[N@H+](C)C1CC1 ZINC000332859917 278206142 /nfs/dbraw/zinc/20/61/42/278206142.db2.gz UZIXQZSHAWFSSY-MHDGFBEUSA-N 1 0 282.384 0.637 10 0 CCAERO C[C@@H]([N@H+](C)CC(=O)N1CCC[C@H](C(N)=O)C1)C1(C)CC1 ZINC000177224569 278302981 /nfs/dbraw/zinc/30/29/81/278302981.db2.gz GHUQANXHQDTVES-NEPJUHHUSA-N 1 0 281.400 0.831 10 0 CCAERO CC1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@@H]1O ZINC000365757668 278311481 /nfs/dbraw/zinc/31/14/81/278311481.db2.gz JJXPJOKFJSEEQH-KBPBESRZSA-N 1 0 296.411 0.859 10 0 CCAERO C[C@@H](NC(N)=O)C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000375964335 278332906 /nfs/dbraw/zinc/33/29/06/278332906.db2.gz NNJVUWWEKKUAAD-SKDRFNHKSA-N 1 0 276.340 0.046 10 0 CCAERO C[C@]1(C2CC[NH+](C3CCC3)CC2)NC(=O)NC1=O ZINC000335251901 278559741 /nfs/dbraw/zinc/55/97/41/278559741.db2.gz UEEHGLMYIQMECF-CYBMUJFWSA-N 1 0 251.330 0.849 10 0 CCAERO CCC[C@@H](C(=O)N1CC[C@@H](N2CCOCC2)C1)[NH+](C)C ZINC000120946849 278854922 /nfs/dbraw/zinc/85/49/22/278854922.db2.gz RADHDGWDHJRTIV-KGLIPLIRSA-N 1 0 283.416 0.650 10 0 CCAERO Cc1nc(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)c(C)o1 ZINC000408074460 279066674 /nfs/dbraw/zinc/06/66/74/279066674.db2.gz UCOJGAJPFBFBGR-RYUDHWBXSA-N 1 0 279.340 0.837 10 0 CCAERO C[C@@H]1[C@H](C)SCC[N@@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000118534345 279108483 /nfs/dbraw/zinc/10/84/83/279108483.db2.gz RVJLEJKCTRDJKV-WOPDTQHZSA-N 1 0 299.440 0.536 10 0 CCAERO Cc1[nH+]ccc(N2CCC[C@@](O)(C(N)=O)C2)c1Cl ZINC000336785641 279164748 /nfs/dbraw/zinc/16/47/48/279164748.db2.gz ADIIWEZIQJEYEQ-LBPRGKRZSA-N 1 0 269.732 0.860 10 0 CCAERO CC(C)N(C)C(=O)[C@@H](C)N1CCO[C@H](C[NH+](C)C)C1 ZINC000175205488 279337400 /nfs/dbraw/zinc/33/74/00/279337400.db2.gz COGXWIKAQPIAIF-CHWSQXEVSA-N 1 0 271.405 0.504 10 0 CCAERO C[C@@H]1CN(CCN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CCO1 ZINC000249279749 288174769 /nfs/dbraw/zinc/17/47/69/288174769.db2.gz MFGCCQBYNLZCKZ-ZNMIVQPWSA-N 1 0 267.417 0.876 10 0 CCAERO C[C@H]1C[C@H](NC(=O)N2CCCN(C)C(=O)C2)C[N@@H+]1C1CC1 ZINC000188313363 280002778 /nfs/dbraw/zinc/00/27/78/280002778.db2.gz DGVGAFTTXWYIQO-RYUDHWBXSA-N 1 0 294.399 0.485 10 0 CCAERO O=C([C@H]1CCC(=O)N1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107667498 280127638 /nfs/dbraw/zinc/12/76/38/280127638.db2.gz LHLLPXCKZYFSQJ-CHWSQXEVSA-N 1 0 279.384 0.742 10 0 CCAERO Cc1nc2[nH]ccc2c(N2CCN([C@H]3CC[NH2+]C3)CC2)n1 ZINC000333525524 282004526 /nfs/dbraw/zinc/00/45/26/282004526.db2.gz LIOJKLZRFFPDQB-LBPRGKRZSA-N 1 0 286.383 0.750 10 0 CCAERO C[NH+](C)C(C)(C)CNC(=O)[C@@H]1OC[C@H]2COCC[C@H]21 ZINC000408209755 282015448 /nfs/dbraw/zinc/01/54/48/282015448.db2.gz DTJCUUUBMQOADD-IJLUTSLNSA-N 1 0 270.373 0.494 10 0 CCAERO Cc1nc2c(cnn2C)c(N2CC[C@@H]([NH+](C)C)C2)n1 ZINC000170844045 282018022 /nfs/dbraw/zinc/01/80/22/282018022.db2.gz AJLIUEKPBPWMOZ-SNVBAGLBSA-N 1 0 260.345 0.812 10 0 CCAERO CN(C(=O)C1C[NH2+]C1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000262222356 288793575 /nfs/dbraw/zinc/79/35/75/288793575.db2.gz KOZPAVDXDTUZIZ-GHMZBOCLSA-N 1 0 274.386 0.020 10 0 CCAERO C[C@@H]1OCC[C@H]1NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000128553470 288910229 /nfs/dbraw/zinc/91/02/29/288910229.db2.gz FRQCLWKPMDPQKB-QJPTWQEYSA-N 1 0 271.361 0.136 10 0 CCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000423653463 288981001 /nfs/dbraw/zinc/98/10/01/288981001.db2.gz YYMJGZRQYHFNJA-WZRBSPASSA-N 1 0 279.384 0.726 10 0 CCAERO Cc1cc(CS(=O)(=O)N2CC[C@@H]([NH3+])[C@@H]2C)no1 ZINC000383410282 545085016 /nfs/dbraw/zinc/08/50/16/545085016.db2.gz TZPLZBCFYBWPQT-WCBMZHEXSA-N 1 0 259.331 0.234 10 0 CCAERO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)CC(F)(F)F)[C@H]2C1 ZINC000336071585 290158277 /nfs/dbraw/zinc/15/82/77/290158277.db2.gz CCGJWXLDHUUFAV-BDAKNGLRSA-N 1 0 286.319 0.905 10 0 CCAERO C[C@H]([C@H](C)NC(=O)N1CC[C@@H]([NH+](C)C)C1)N1CCOCC1 ZINC000246423186 290203266 /nfs/dbraw/zinc/20/32/66/290203266.db2.gz MDOBVMIBUANKTR-BFHYXJOUSA-N 1 0 298.431 0.441 10 0 CCAERO C[C@@H]1C[N@H+](CCN2CCO[C@H](C)C2)C[C@H]1N1CCOCC1 ZINC000249286385 297003584 /nfs/dbraw/zinc/00/35/84/297003584.db2.gz OILOJVXSNLHWEK-BZUAXINKSA-N 1 0 297.443 0.360 10 0 CCAERO Cc1nc2ccc(N3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)nn2n1 ZINC000333929968 293466692 /nfs/dbraw/zinc/46/66/92/293466692.db2.gz YSMUPEZIPMFDQZ-GARJFASQSA-N 1 0 258.329 0.606 10 0 CCAERO NC(=O)[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261578789 295145209 /nfs/dbraw/zinc/14/52/09/295145209.db2.gz PBRYTKQFWHHTBH-WDEREUQCSA-N 1 0 253.346 0.385 10 0 CCAERO [NH3+][C@@H]1CCC[C@H](NS(=O)(=O)[C@H]2CCCOC2)C1 ZINC000262071473 295313689 /nfs/dbraw/zinc/31/36/89/295313689.db2.gz PGOLDPGKLKEVCX-VWYCJHECSA-N 1 0 262.375 0.355 10 0 CCAERO O=C(C1C[NH2+]C1)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000336598081 295454764 /nfs/dbraw/zinc/45/47/64/295454764.db2.gz SSRQUEGOCYWRBA-MFKMUULPSA-N 1 0 277.368 0.208 10 0 CCAERO COc1cc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)sn1 ZINC000399311303 545089240 /nfs/dbraw/zinc/08/92/40/545089240.db2.gz MCJNNZYXCDUSSV-CBAPKCEASA-N 1 0 255.343 0.908 10 0 CCAERO Cc1cc(=O)[nH]c([C@H](C)N2CCO[C@@H](C[NH+](C)C)C2)n1 ZINC000248730228 301374012 /nfs/dbraw/zinc/37/40/12/301374012.db2.gz JELMVBAGAJGNMK-RYUDHWBXSA-N 1 0 280.372 0.814 10 0 CCAERO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H]1CCCC[C@@H]1[NH3+] ZINC000038050289 302749738 /nfs/dbraw/zinc/74/97/38/302749738.db2.gz RGJDFRYQANPEIM-QWRGUYRKSA-N 1 0 286.401 0.585 10 0 CCAERO NC(=O)[C@@H]1CCCCN1C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000250986123 303292631 /nfs/dbraw/zinc/29/26/31/303292631.db2.gz BYFSQUJOBZBWFU-UTUOFQBUSA-N 1 0 267.373 0.760 10 0 CCAERO C[NH+](C)[C@@H]1CCN(C(=O)CN2CCCCC2=O)C1 ZINC000170859905 327667451 /nfs/dbraw/zinc/66/74/51/327667451.db2.gz QMNTZNSKALCSPY-LLVKDONJSA-N 1 0 253.346 0.161 10 0 CCAERO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C1 ZINC000170873775 327669029 /nfs/dbraw/zinc/66/90/29/327669029.db2.gz RIXHNCJPJZLUII-GFCCVEGCSA-N 1 0 296.392 0.946 10 0 CCAERO C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000170867023 327669094 /nfs/dbraw/zinc/66/90/94/327669094.db2.gz NLUQTUISRANOAT-KBPBESRZSA-N 1 0 293.411 0.798 10 0 CCAERO COCCOC[C@H](O)C[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000580065983 327689266 /nfs/dbraw/zinc/68/92/66/327689266.db2.gz GNUKBHADVFHKBY-SGMGOOAPSA-N 1 0 275.389 0.804 10 0 CCAERO Cn1nccc1COCC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000580190670 327726291 /nfs/dbraw/zinc/72/62/91/327726291.db2.gz GMRANOWKWXHUQW-GFCCVEGCSA-N 1 0 280.372 0.524 10 0 CCAERO COC[C@@H](C)S(=O)(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000399685036 326809234 /nfs/dbraw/zinc/80/92/34/326809234.db2.gz LGEOHBSUAKJDJK-GHMZBOCLSA-N 1 0 264.391 0.425 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1ccn(C)n1 ZINC000181611137 327379841 /nfs/dbraw/zinc/37/98/41/327379841.db2.gz DGWIPBYMOGGRIC-CYBMUJFWSA-N 1 0 264.373 0.905 10 0 CCAERO C[C@H]1C[C@H](CNC(=O)C(C)(C)N2CC[NH2+]CC2)CCO1 ZINC000389163932 328634449 /nfs/dbraw/zinc/63/44/49/328634449.db2.gz XGYMRDAGWFQWBM-QWHCGFSZSA-N 1 0 283.416 0.602 10 0 CCAERO O=C([C@H]1CC(F)(F)CN1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000582603332 329114435 /nfs/dbraw/zinc/11/44/35/329114435.db2.gz VFUDASBTBMCCPL-GHMZBOCLSA-N 1 0 273.327 0.680 10 0 CCAERO CN(C)c1ccc(C(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000036278441 329508942 /nfs/dbraw/zinc/50/89/42/329508942.db2.gz KIGPRVKBGWPQJF-UHFFFAOYSA-N 1 0 276.384 0.388 10 0 CCAERO CC(C)NC(=O)CNC(=O)[C@@H]1[C@H](C)CCC[C@@H]1[NH3+] ZINC000055128380 519708202 /nfs/dbraw/zinc/70/82/02/519708202.db2.gz OTTBLZDIGYZLBR-JFGNBEQYSA-N 1 0 255.362 0.391 10 0 CCAERO CC(C)C[NH2+]CCCCn1ccn(C)c(=O)c1=O ZINC000061797420 519743391 /nfs/dbraw/zinc/74/33/91/519743391.db2.gz WRNFDFNJALPSRF-UHFFFAOYSA-N 1 0 253.346 0.573 10 0 CCAERO CC[NH2+]C(C)(C)C(=O)N[C@H](C)c1nnc2n1CCC2 ZINC000061290260 519906148 /nfs/dbraw/zinc/90/61/48/519906148.db2.gz VBFNKMOGPSHAKJ-SECBINFHSA-N 1 0 265.361 0.790 10 0 CCAERO CCN[C@@H](CC[N@H+](CC)[C@@H](C)COC)C(=O)OC ZINC000062457070 520085406 /nfs/dbraw/zinc/08/54/06/520085406.db2.gz MGJQSXUJFUNZEZ-RYUDHWBXSA-N 1 0 260.378 0.884 10 0 CCAERO CCOc1cc(N2C[C@@H](C[NH3+])[C@H](OCC)C2)nc(C)n1 ZINC000405899384 545092432 /nfs/dbraw/zinc/09/24/32/545092432.db2.gz ZFJGNEPAPQSYFL-VXGBXAGGSA-N 1 0 280.372 0.984 10 0 CCAERO C[NH+](C)CCN1CC[NH+]([C@@H]2CCC[C@@H]2C(=O)[O-])CC1 ZINC000062756802 521767499 /nfs/dbraw/zinc/76/74/99/521767499.db2.gz BESYUDDUOMHEKL-QWHCGFSZSA-N 1 0 269.389 0.419 10 0 CCAERO C[C@H](NC(=O)c1cccs1)C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000423939837 533764680 /nfs/dbraw/zinc/76/46/80/533764680.db2.gz BDDDNZFCDBGWCF-GUBZILKMSA-N 1 0 281.381 0.672 10 0 CCAERO COc1cc(F)c([C@@H]([NH3+])COCC(N)=O)cc1OC ZINC000061561809 522585512 /nfs/dbraw/zinc/58/55/12/522585512.db2.gz AENXHVJAQQRXER-VIFPVBQESA-N 1 0 272.276 0.345 10 0 CCAERO CC(C)(C)C1CCN([C@@H]2CS(=O)(=O)C[C@H]2[NH3+])CC1 ZINC000054493727 518610007 /nfs/dbraw/zinc/61/00/07/518610007.db2.gz KDJCUWPJEMVRFE-VXGBXAGGSA-N 1 0 274.430 0.869 10 0 CCAERO CC(C)[NH2+]CCOc1ccc(S(N)(=O)=O)cc1 ZINC000049933625 519721662 /nfs/dbraw/zinc/72/16/62/519721662.db2.gz OPGCVCXWOVYUCQ-UHFFFAOYSA-N 1 0 258.343 0.711 10 0 CCAERO CC(C)CN1CCN(S(=O)(=O)CC[NH2+]C(C)C)CC1 ZINC000055083954 519727099 /nfs/dbraw/zinc/72/70/99/519727099.db2.gz OEYRQWFVPAEVMY-UHFFFAOYSA-N 1 0 291.461 0.588 10 0 CCAERO CC(C)[NH2+][C@@H](CCOCC1CCOCC1)C(N)=O ZINC000062596121 519734750 /nfs/dbraw/zinc/73/47/50/519734750.db2.gz OXOHWZNHFUDZDP-LBPRGKRZSA-N 1 0 258.362 0.672 10 0 CCAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC000049555824 519775948 /nfs/dbraw/zinc/77/59/48/519775948.db2.gz MHBLPUHOUSOQHM-UWVGGRQHSA-N 1 0 258.366 0.136 10 0 CCAERO CCC[NH+]1CCN(C(=O)Cn2ccc(N)n2)CC1 ZINC000050465781 519855990 /nfs/dbraw/zinc/85/59/90/519855990.db2.gz LKZIABJFWYILDV-UHFFFAOYSA-N 1 0 251.334 0.020 10 0 CCAERO CC(C)n1c(S[C@@H](C[NH3+])c2cnn(C)c2)n[nH]c1=O ZINC000061595077 519924162 /nfs/dbraw/zinc/92/41/62/519924162.db2.gz IOAMIGXJJNZKDN-VIFPVBQESA-N 1 0 282.373 0.678 10 0 CCAERO CC[NH2+]C[C@@H](C)C(=O)N1CCN(C(=O)OC)CC1 ZINC000061266382 519934059 /nfs/dbraw/zinc/93/40/59/519934059.db2.gz DXABLWXEFVWFPA-SNVBAGLBSA-N 1 0 257.334 0.143 10 0 CCAERO CCCN[C@@H](CC[N@H+](CCOC)[C@@H](C)CC)C(N)=O ZINC000062522867 519999551 /nfs/dbraw/zinc/99/95/51/519999551.db2.gz AVAFKDNVRXOWFA-STQMWFEESA-N 1 0 273.421 0.977 10 0 CCAERO CC[NH2+][C@@H](C)CC(=O)Nc1cnn(CCOC)c1 ZINC000061271193 520071254 /nfs/dbraw/zinc/07/12/54/520071254.db2.gz VJZRJQJUNBCJFY-JTQLQIEISA-N 1 0 254.334 0.856 10 0 CCAERO CC[NH2+][C@H](CCOc1cccc(CO)c1)C(N)=O ZINC000062542143 520193111 /nfs/dbraw/zinc/19/31/11/520193111.db2.gz WNYJNCNPWGFFHH-GFCCVEGCSA-N 1 0 252.314 0.411 10 0 CCAERO CCN(C)C(=O)[C@H](C)NC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000365067174 520208679 /nfs/dbraw/zinc/20/86/79/520208679.db2.gz CCSSOLDRYZCSMU-RWMBFGLXSA-N 1 0 296.415 0.589 10 0 CCAERO CCCCN(CC(N)=O)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000055089920 520448114 /nfs/dbraw/zinc/44/81/14/520448114.db2.gz VIKXUHFWCBWQMJ-WDEREUQCSA-N 1 0 255.362 0.618 10 0 CCAERO CC1(C)CN(CCC[NH+]2CCCC2)C[C@H](CO)O1 ZINC000163867507 520464567 /nfs/dbraw/zinc/46/45/67/520464567.db2.gz ZHFIBGMNTZBQBO-CYBMUJFWSA-N 1 0 256.390 0.944 10 0 CCAERO CCN(CC)C(=O)N1CCN(C(=O)[C@H](C)C2C[NH2+]C2)CC1 ZINC000164261329 520506349 /nfs/dbraw/zinc/50/63/49/520506349.db2.gz VVNHAIVRUFBPGR-GFCCVEGCSA-N 1 0 296.415 0.448 10 0 CCAERO CCN(CC)C(=O)[C@@H](C)NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000062854624 520519044 /nfs/dbraw/zinc/51/90/44/520519044.db2.gz CYJYRHHKECYJRH-RISCZKNCSA-N 1 0 269.389 0.749 10 0 CCAERO CC[NH+](CC)[C@@H]1CCN(C(=O)Cn2ccc(N)n2)C1 ZINC000062975297 520842428 /nfs/dbraw/zinc/84/24/28/520842428.db2.gz LITLVCQOSZHUSU-LLVKDONJSA-N 1 0 265.361 0.408 10 0 CCAERO CCC[C@@]1(C(=O)N2CCN(C(C)=O)CC2)CC[NH2+]C1 ZINC000062893894 520941257 /nfs/dbraw/zinc/94/12/57/520941257.db2.gz BVPAFMHYZSKVOK-CQSZACIVSA-N 1 0 267.373 0.457 10 0 CCAERO CCCN(CC(=O)NC)C(=O)[C@H]1C[C@@H]([NH3+])CC[C@@H]1C ZINC000055135749 521545673 /nfs/dbraw/zinc/54/56/73/521545673.db2.gz ROVFSBDDGBPSJA-SRVKXCTJSA-N 1 0 269.389 0.735 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccnc1N ZINC000050649145 521640471 /nfs/dbraw/zinc/64/04/71/521640471.db2.gz KXLRYOLTTUOEPW-SNVBAGLBSA-N 1 0 284.385 0.426 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000246729068 521645401 /nfs/dbraw/zinc/64/54/01/521645401.db2.gz VKLGWIQTFUVIRJ-RYUDHWBXSA-N 1 0 294.399 0.533 10 0 CCAERO C[NH+](C)C[C@H]1CCCN1C[C@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000061652958 521869209 /nfs/dbraw/zinc/86/92/09/521869209.db2.gz KMPIHHSZEBQVDO-OCCSQVGLSA-N 1 0 269.389 0.608 10 0 CCAERO C[NH2+]CCS(=O)(=O)Nc1ccccc1COC ZINC000049630425 522015661 /nfs/dbraw/zinc/01/56/61/522015661.db2.gz OKGSWUAUMFDJIW-UHFFFAOYSA-N 1 0 258.343 0.794 10 0 CCAERO CN[C@@](C)(CCN(C)CC[NH+]1CCCC1)C(=O)OC ZINC000063053174 522410658 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CCCN(CC)S(=O)(=O)C[C@@H]([NH3+])[C@@H]1CCCOC1 ZINC000757149619 581696635 /nfs/dbraw/zinc/69/66/35/581696635.db2.gz FTJIVGKAPZNNCC-VXGBXAGGSA-N 1 0 278.418 0.802 10 0 CCAERO [NH3+][C@H](CS(=O)(=O)N1CCCCC1)c1ccncc1 ZINC000757151641 581696924 /nfs/dbraw/zinc/69/69/24/581696924.db2.gz ITINTTLCHIPCHR-GFCCVEGCSA-N 1 0 269.370 0.897 10 0 CCAERO Nc1[nH]c(N2CC[NH2+]CC2)nc(=O)c1-c1ccccc1 ZINC000757180064 581697848 /nfs/dbraw/zinc/69/78/48/581697848.db2.gz SJSPRSWPOLPJBM-UHFFFAOYSA-N 1 0 271.324 0.841 10 0 CCAERO CC(C)(C)OC(=O)N1CCC[C@@]([NH3+])(CC(N)=O)CC1 ZINC000211721910 613975157 /nfs/dbraw/zinc/97/51/57/613975157.db2.gz YUYKRSASDQQZED-ZDUSSCGKSA-N 1 0 271.361 0.980 10 0 CCAERO CC(C)(C)OC(=O)N1CCC[C@@]([NH3+])(CC(N)=O)C1 ZINC000211468176 613975183 /nfs/dbraw/zinc/97/51/83/613975183.db2.gz ZOBBBKFDCXNIAE-GFCCVEGCSA-N 1 0 257.334 0.590 10 0 CCAERO CC(=O)N[C@@H]1CCCN(C(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000123837151 613980324 /nfs/dbraw/zinc/98/03/24/613980324.db2.gz CIOXXNJEVNHBBF-NEPJUHHUSA-N 1 0 253.346 0.241 10 0 CCAERO CCCCOC[C@H](O)C[NH2+]C[C@H]1CN2CCC[C@H]2CO1 ZINC000300312745 614453386 /nfs/dbraw/zinc/45/33/86/614453386.db2.gz KWAZSAQKACYAEY-ZNMIVQPWSA-N 1 0 286.416 0.617 10 0 CCAERO CCCOC(=O)[C@H](C)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000119144146 614932485 /nfs/dbraw/zinc/93/24/85/614932485.db2.gz WPDZYNMDQVKTLG-UPJWGTAASA-N 1 0 272.389 0.715 10 0 CCAERO C[NH+](C)[C@@H]1CN(Cc2ccnc(N)c2)C[C@@H]1n1ccnn1 ZINC000859757842 615982246 /nfs/dbraw/zinc/98/22/46/615982246.db2.gz PLOKHEHXMXSRTD-OLZOCXBDSA-N 1 0 287.371 0.242 10 0 CCAERO COCC[N@@H+]1CCN(CN2C(=O)CC(C)(C)C2=O)C[C@@H]1C ZINC000117322016 616370344 /nfs/dbraw/zinc/37/03/44/616370344.db2.gz SMHFXOVSNZZFKI-LBPRGKRZSA-N 1 0 297.399 0.382 10 0 CCAERO COC(=O)[C@H]1C[N@H+](CCc2ccnn2C)C[C@H]1C ZINC000300065615 616689146 /nfs/dbraw/zinc/68/91/46/616689146.db2.gz BAFRVEOJPPMCRU-PWSUYJOCSA-N 1 0 251.330 0.704 10 0 CCAERO O=C1NCC[C@@H]1CC[N@@H+]1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000931120689 625478329 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0.465 10 0 CCAERO C[N@H+](CC(=O)NC1CC1)[C@H]1CCCN(c2cccnn2)C1 ZINC000105802863 349725189 /nfs/dbraw/zinc/72/51/89/349725189.db2.gz JBSXRGCWUVBQGR-ZDUSSCGKSA-N 1 0 289.383 0.656 10 0 CCAERO CCNC(=O)CC[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000105803769 349725120 /nfs/dbraw/zinc/72/51/20/349725120.db2.gz ILBYKAIRDNJNNN-ZDUSSCGKSA-N 1 0 291.399 0.903 10 0 CCAERO C[C@@H](NC(=O)c1ccco1)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000108332782 349745242 /nfs/dbraw/zinc/74/52/42/349745242.db2.gz YCMYVQMCSNAXNE-VXGBXAGGSA-N 1 0 293.367 0.856 10 0 CCAERO CC[C@H](C(N)=O)[NH+]1CCC(c2nncn2CC)CC1 ZINC000105928372 349728955 /nfs/dbraw/zinc/72/89/55/349728955.db2.gz NJDOGKXRXWXZQV-LLVKDONJSA-N 1 0 265.361 0.741 10 0 CCAERO O=C([C@H]1CNC(=O)C1)N1CCN(Cc2ccsc2)CC1 ZINC000110358447 349759998 /nfs/dbraw/zinc/75/99/98/349759998.db2.gz KTQUXIJTTUJDDL-GFCCVEGCSA-N 1 0 293.392 0.528 10 0 CCAERO C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)N1CCOCC1 ZINC000108552150 349750096 /nfs/dbraw/zinc/75/00/96/349750096.db2.gz 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0.879 10 0 CCAERO c1nc(NC[C@@H]2CC[NH2+]C2)cc(N2CCOCC2)n1 ZINC000258599430 137005730 /nfs/dbraw/zinc/00/57/30/137005730.db2.gz HHFPFCQFSQJEQR-LLVKDONJSA-N 1 0 263.345 0.335 10 0 CCAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)NCc1nnc2ccccn21 ZINC000261616539 137012114 /nfs/dbraw/zinc/01/21/14/137012114.db2.gz AHTMTXCEFXWWHS-WDEREUQCSA-N 1 0 273.340 0.863 10 0 CCAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCN(Cc2ccon2)CC1 ZINC000261624382 137012765 /nfs/dbraw/zinc/01/27/65/137012765.db2.gz BEVDSGJDURISOY-GXTWGEPZSA-N 1 0 292.383 0.836 10 0 CCAERO C[C@H](Cc1cccc(F)c1)C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262362032 137040111 /nfs/dbraw/zinc/04/01/11/137040111.db2.gz VFUODMXSTLQAAK-SCDSUCTJSA-N 1 0 280.343 0.701 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000262378347 137041105 /nfs/dbraw/zinc/04/11/05/137041105.db2.gz WSVPWWOWBDYGNE-DJFWLOJKSA-N 1 0 296.317 0.765 10 0 CCAERO COc1csc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000262380813 137041194 /nfs/dbraw/zinc/04/11/94/137041194.db2.gz WZGHCBLMNNZHOB-IONNQARKSA-N 1 0 256.327 0.067 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@H]1Cc2ccccc2S1 ZINC000262386595 137041366 /nfs/dbraw/zinc/04/13/66/137041366.db2.gz XLDOEUCHOUMDDA-DMDPSCGWSA-N 1 0 278.377 0.400 10 0 CCAERO O=C(CCOc1ccccc1F)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262385150 137041380 /nfs/dbraw/zinc/04/13/80/137041380.db2.gz XJTOTNDXEQIMAW-PWSUYJOCSA-N 1 0 282.315 0.291 10 0 CCAERO Cc1cc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)ccc1Cl ZINC000262386663 137041651 /nfs/dbraw/zinc/04/16/51/137041651.db2.gz XLVRVCXGOBPQJU-PWSUYJOCSA-N 1 0 268.744 0.959 10 0 CCAERO O=C(Cc1ccccc1Cl)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262388016 137041691 /nfs/dbraw/zinc/04/16/91/137041691.db2.gz XPRZXQPKCHGTBF-JQWIXIFHSA-N 1 0 268.744 0.579 10 0 CCAERO O=C(Cc1ccc(F)c(F)c1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262408956 137042440 /nfs/dbraw/zinc/04/24/40/137042440.db2.gz ZANXSVSJFJVMSE-CABZTGNLSA-N 1 0 270.279 0.204 10 0 CCAERO Cc1ccc(OCCC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c(C)c1 ZINC000262416155 137043049 /nfs/dbraw/zinc/04/30/49/137043049.db2.gz ZSFBIANDFDRCEF-KGLIPLIRSA-N 1 0 292.379 0.769 10 0 CCAERO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](NC)c1cnn(C)c1 ZINC000262415519 137043068 /nfs/dbraw/zinc/04/30/68/137043068.db2.gz RCTVMVDUXVITRF-YPMHNXCESA-N 1 0 281.404 0.527 10 0 CCAERO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262484741 137044873 /nfs/dbraw/zinc/04/48/73/137044873.db2.gz IKGVWZPVDYZXGH-ILXRZTDVSA-N 1 0 292.379 0.600 10 0 CCAERO CCOc1ccc(NC(=O)[C@@H]([NH3+])COC)c(C(N)=O)c1 ZINC000262517854 137045872 /nfs/dbraw/zinc/04/58/72/137045872.db2.gz KKKMREPHSYEQRR-JTQLQIEISA-N 1 0 281.312 0.096 10 0 CCAERO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H]2COCCN2)C1 ZINC000262655629 137049426 /nfs/dbraw/zinc/04/94/26/137049426.db2.gz CJMHOFOLIOAYJV-MGPQQGTHSA-N 1 0 283.416 0.459 10 0 CCAERO CSCC[C@H](NC(N)=O)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000262844784 137054445 /nfs/dbraw/zinc/05/44/45/137054445.db2.gz YCTWIXAQUANAOC-UTLUCORTSA-N 1 0 288.417 0.033 10 0 CCAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2ccncc2F)n1 ZINC000263167078 137059724 /nfs/dbraw/zinc/05/97/24/137059724.db2.gz FGTXGBRWJGABDF-SNVBAGLBSA-N 1 0 263.276 0.847 10 0 CCAERO C[C@H]([NH3+])CC(=O)NCC(=O)Nc1ccc(F)cc1 ZINC000261780470 137019462 /nfs/dbraw/zinc/01/94/62/137019462.db2.gz JLVUGGQHQKORDP-QMMMGPOBSA-N 1 0 253.277 0.618 10 0 CCAERO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1=O ZINC000261791067 137019930 /nfs/dbraw/zinc/01/99/30/137019930.db2.gz QCIJWRDPPZHTNG-VEGXAWMVSA-N 1 0 279.384 0.487 10 0 CCAERO COc1ccc([C@H](O)CNC(=O)C[C@H](C)[NH3+])cc1 ZINC000261784221 137020249 /nfs/dbraw/zinc/02/02/49/137020249.db2.gz JTXPISDLBRUZTE-JOYOIKCWSA-N 1 0 252.314 0.582 10 0 CCAERO Cc1cc(C)c(CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)c(=O)[nH]1 ZINC000261805631 137020988 /nfs/dbraw/zinc/02/09/88/137020988.db2.gz OKTDOQZEZPAQHU-PWSUYJOCSA-N 1 0 279.340 0.527 10 0 CCAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@H](O)[C@@H]1CCOC1 ZINC000261853489 137022996 /nfs/dbraw/zinc/02/29/96/137022996.db2.gz WATRBWZRCHHUCR-QCNOEVLYSA-N 1 0 256.346 0.018 10 0 CCAERO COc1ccccc1[C@H](O)CNC(=O)C1([NH3+])CCOCC1 ZINC000261873241 137023469 /nfs/dbraw/zinc/02/34/69/137023469.db2.gz OKMXKCPIVLBELS-GFCCVEGCSA-N 1 0 294.351 0.353 10 0 CCAERO C[C@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)C(=O)N1CCCC[C@@H]1C ZINC000261924905 137026085 /nfs/dbraw/zinc/02/60/85/137026085.db2.gz ZBBNLBQQHWFWFA-RVMXOQNASA-N 1 0 297.399 0.398 10 0 CCAERO [NH3+]C1(C(=O)NC[C@H](O)c2ccc(F)cc2)CCOCC1 ZINC000261934873 137026745 /nfs/dbraw/zinc/02/67/45/137026745.db2.gz WQZZANLWEJBJDT-LBPRGKRZSA-N 1 0 282.315 0.483 10 0 CCAERO O=S(=O)(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCCOC1 ZINC000261998912 137028037 /nfs/dbraw/zinc/02/80/37/137028037.db2.gz FZOFXXXKTFFYOP-MBYGNEARSA-N 1 0 274.386 0.368 10 0 CCAERO O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)C1C[NH2+]C1 ZINC000262173507 137029219 /nfs/dbraw/zinc/02/92/19/137029219.db2.gz CTZANJSDRVJDPQ-AWEZNQCLSA-N 1 0 287.363 0.686 10 0 CCAERO C[C@@H](C[NH3+])C(=O)N[C@@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000262204327 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Cn1nc(C(C)(C)C)cc1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262306477 137036557 /nfs/dbraw/zinc/03/65/57/137036557.db2.gz QAUMDMWVEZXTTD-ONGXEEELSA-N 1 0 280.372 0.028 10 0 CCAERO CC(C)c1nccn1CCC(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262316300 137037402 /nfs/dbraw/zinc/03/74/02/137037402.db2.gz QWLZRDGKQXJMGS-NEPJUHHUSA-N 1 0 280.372 0.093 10 0 CCAERO Cc1noc(Cl)c1CCC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262330414 137038486 /nfs/dbraw/zinc/03/84/86/137038486.db2.gz SGFRAHQYXWMYKY-WPRPVWTQSA-N 1 0 287.747 0.266 10 0 CCAERO Cc1cccc(C2(C(=O)NC[C@@H]3C[NH2+]C[C@@H]3O)CC2)c1 ZINC000262335890 137038806 /nfs/dbraw/zinc/03/88/06/137038806.db2.gz SQWOBWYUVXSVQI-JSGCOSHPSA-N 1 0 274.364 0.723 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cnc(-c2ccco2)s1 ZINC000262331933 137038975 /nfs/dbraw/zinc/03/89/75/137038975.db2.gz SHMVGVHUJRGCRI-DTWKUNHWSA-N 1 0 293.348 0.713 10 0 CCAERO O=C(NCCN1CCc2sccc2C1)C1C[NH2+]C1 ZINC000263248927 137061932 /nfs/dbraw/zinc/06/19/32/137061932.db2.gz DNAGVEGGNUNWGU-UHFFFAOYSA-N 1 0 265.382 0.442 10 0 CCAERO COc1ccc(OC)c([C@H](O)CNC(=O)C2C[NH2+]C2)c1 ZINC000263259381 137062209 /nfs/dbraw/zinc/06/22/09/137062209.db2.gz GEHJJLMGPXBFFR-GFCCVEGCSA-N 1 0 280.324 0.073 10 0 CCAERO Cn1c(CNC[C@@H]2C[NH2+]C[C@H]2O)nc2cc(Cl)ccc21 ZINC000263319089 137063972 /nfs/dbraw/zinc/06/39/72/137063972.db2.gz ZXLJEDUPIYFMSV-TVQRCGJNSA-N 1 0 294.786 0.897 10 0 CCAERO NC(=O)[C@@]1(O)CCC[N@H+](CCC2CCOCC2)C1 ZINC000310771712 137072582 /nfs/dbraw/zinc/07/25/82/137072582.db2.gz CVHXBNCRLGXZEJ-CYBMUJFWSA-N 1 0 256.346 0.115 10 0 CCAERO CC[NH+]1CCN(CCCNC(=O)[C@H](C)COC)CC1 ZINC000103520377 185848681 /nfs/dbraw/zinc/84/86/81/185848681.db2.gz LTTOHXVOSMYXBX-CYBMUJFWSA-N 1 0 271.405 0.413 10 0 CCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CC(=O)N2CCCCCC2)C1 ZINC000312011586 137076462 /nfs/dbraw/zinc/07/64/62/137076462.db2.gz WPCSKHWPZKZBNG-QWHCGFSZSA-N 1 0 270.373 0.471 10 0 CCAERO C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000315090407 137079060 /nfs/dbraw/zinc/07/90/60/137079060.db2.gz KROIGBJVVMPMQV-XHDPSFHLSA-N 1 0 297.399 0.136 10 0 CCAERO CC(C)Cn1cc(CNC[C@@H]2C[NH2+]C[C@@H]2O)cn1 ZINC000263219911 137060546 /nfs/dbraw/zinc/06/05/46/137060546.db2.gz LRMOEOONIFAICM-OLZOCXBDSA-N 1 0 252.362 0.209 10 0 CCAERO CCOc1ccc(CNC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263227137 137060861 /nfs/dbraw/zinc/06/08/61/137060861.db2.gz MYGPDMIFZGBYBR-JSGCOSHPSA-N 1 0 250.342 0.755 10 0 CCAERO CC(C)OCC[N@@H+]1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000343887106 137164452 /nfs/dbraw/zinc/16/44/52/137164452.db2.gz MFGIOEJOXBGPEU-ZDUSSCGKSA-N 1 0 268.361 0.530 10 0 CCAERO [NH3+]CC(=O)N1CCN(CCCc2ccccc2)CC1 ZINC000001660232 347959754 /nfs/dbraw/zinc/95/97/54/347959754.db2.gz TVIBXBMIJHCVIK-UHFFFAOYSA-N 1 0 261.369 0.722 10 0 CCAERO CNC(=O)c1ccc(OC[C@H](O)C[NH2+]C(C)C)cc1 ZINC000003609744 347985369 /nfs/dbraw/zinc/98/53/69/347985369.db2.gz WLABPMHXVGFSAJ-GFCCVEGCSA-N 1 0 266.341 0.784 10 0 CCAERO COCC[N@H+]1[C@H](C)CN([C@@H]2CCCCNC2=O)C[C@@H]1C ZINC000120293005 349979321 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CC[C@@H]1CN(C(=O)Cc2cc[nH]n2)CC[N@@H+]1CCOC ZINC000173665037 351049795 /nfs/dbraw/zinc/04/97/95/351049795.db2.gz HNJBCAPBAPSXMI-CYBMUJFWSA-N 1 0 280.372 0.521 10 0 CCAERO C[NH+](C)C[C@H]1CN(C(=O)C2=CCCCO2)CCO1 ZINC000174922822 351110966 /nfs/dbraw/zinc/11/09/66/351110966.db2.gz HPITXQYHJUDMDR-NSHDSACASA-N 1 0 254.330 0.470 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CNC(=O)C1 ZINC000174984002 351113458 /nfs/dbraw/zinc/11/34/58/351113458.db2.gz SVFXVBCNFIJZKT-IJLUTSLNSA-N 1 0 265.357 0.208 10 0 CCAERO COC[C@H](C)C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174183998 351073649 /nfs/dbraw/zinc/07/36/49/351073649.db2.gz MDLBRCAGUNPDPT-STQMWFEESA-N 1 0 270.373 0.450 10 0 CCAERO Cc1nc(SCC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)n[nH]1 ZINC000174663920 351097254 /nfs/dbraw/zinc/09/72/54/351097254.db2.gz PEVMVTMKRLLWFS-SNVBAGLBSA-N 1 0 281.385 0.512 10 0 CCAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C2CC2)CC1 ZINC000176888158 351187288 /nfs/dbraw/zinc/18/72/88/351187288.db2.gz PKTDXHCFGCETFQ-NSHDSACASA-N 1 0 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ZINC000629609595 369739107 /nfs/dbraw/zinc/73/91/07/369739107.db2.gz AVGOVMZIZPEKQA-XBFCOCLRSA-N 1 0 285.315 0.305 10 0 CCAERO O=C(NCc1cocn1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000629614166 369741203 /nfs/dbraw/zinc/74/12/03/369741203.db2.gz ZVLYFSFVBYVJML-HTQZYQBOSA-N 1 0 263.219 0.689 10 0 CCAERO CO[C@H]1CN(C(=O)c2conc2C)[C@@](C)(C[NH3+])C1 ZINC000630091098 369949873 /nfs/dbraw/zinc/94/98/73/369949873.db2.gz FKFFWDZLNFPNPO-BXKDBHETSA-N 1 0 253.302 0.561 10 0 CCAERO CO[C@H]1CN(CC(=O)NCC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630364319 370065749 /nfs/dbraw/zinc/06/57/49/370065749.db2.gz UNOGJTQHXIDBCP-DGCLKSJQSA-N 1 0 257.378 0.197 10 0 CCAERO CCn1nc(C)cc1C(=O)N1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630365957 370066782 /nfs/dbraw/zinc/06/67/82/370066782.db2.gz JHOSAQRPDABFOJ-RISCZKNCSA-N 1 0 280.372 0.790 10 0 CCAERO CO[C@@H]1CN(C(=O)c2cncc(F)c2)[C@](C)(C[NH3+])C1 ZINC000630372903 370074475 /nfs/dbraw/zinc/07/44/75/370074475.db2.gz IDMLZOBYTYSXEZ-AAEUAGOBSA-N 1 0 267.304 0.799 10 0 CCAERO 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[NH3+]C[C@]1(C(=O)N2CCN3CCCC[C@@H]3C2)CCCOC1 ZINC000638087330 374645919 /nfs/dbraw/zinc/64/59/19/374645919.db2.gz QZKNPARNLKQNBA-UKRRQHHQSA-N 1 0 281.400 0.439 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccnc2ccccc21 ZINC000638224042 374810129 /nfs/dbraw/zinc/81/01/29/374810129.db2.gz DJDOAWAHEBSFRT-YGRLFVJLSA-N 1 0 271.320 0.545 10 0 CCAERO COC[C@]1(C(=O)NC[C@H](O)C(C)(C)C)CCCC[NH2+]1 ZINC000638278671 374883939 /nfs/dbraw/zinc/88/39/39/374883939.db2.gz KJEXVIIOFDHJMX-FZMZJTMJSA-N 1 0 272.389 0.668 10 0 CCAERO Cn1nccc1CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000049190077 284499640 /nfs/dbraw/zinc/49/96/40/284499640.db2.gz NEQGDPRKJWXIBC-CYBMUJFWSA-N 1 0 295.387 0.066 10 0 CCAERO O=C([C@@H]1C[NH2+]CCOC1)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000638536844 375124207 /nfs/dbraw/zinc/12/42/07/375124207.db2.gz UEAGAHYVRNEMTM-UTUOFQBUSA-N 1 0 270.398 0.719 10 0 CCAERO CN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@H]1C[C@@H](C(N)=O)C1 ZINC000638699569 375305550 /nfs/dbraw/zinc/30/55/50/375305550.db2.gz 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276.384 0.980 10 0 CCAERO O=C(NCCOCc1ccccc1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262429620 190054986 /nfs/dbraw/zinc/05/49/86/190054986.db2.gz BLPSWMOGFBMHIQ-OLZOCXBDSA-N 1 0 264.325 0.042 10 0 CCAERO CN(C)c1nc(Cn2cc(C(C)(C)[NH3+])nn2)ns1 ZINC000641086987 376762169 /nfs/dbraw/zinc/76/21/69/376762169.db2.gz XOYHQRNKPDQVTQ-UHFFFAOYSA-N 1 0 267.362 0.438 10 0 CCAERO COCc1cc(CN(C)CC[N@H+](C)CCO)no1 ZINC000641774444 377458629 /nfs/dbraw/zinc/45/86/29/377458629.db2.gz FITWTAKUYNRIKD-UHFFFAOYSA-N 1 0 257.334 0.177 10 0 CCAERO Cc1cc2ccccc2nc1NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000643040266 377702319 /nfs/dbraw/zinc/70/23/19/377702319.db2.gz OVISTTUKEWSQIB-JSGCOSHPSA-N 1 0 257.337 0.957 10 0 CCAERO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C[C@H](O)CO)C1 ZINC000130991175 284796433 /nfs/dbraw/zinc/79/64/33/284796433.db2.gz XIVYZEWSQIQVDG-NEPJUHHUSA-N 1 0 288.388 0.576 10 0 CCAERO CSC1(C(=O)N2CCO[C@H](C[NH+](C)C)C2)CC1 ZINC000191718219 295567166 /nfs/dbraw/zinc/56/71/66/295567166.db2.gz FNNZUTSBIDTWNL-SNVBAGLBSA-N 1 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C[C@H]1C[N@H+](C[C@@H](O)COC(C)(C)C)CCN1CCO ZINC000248367405 285062913 /nfs/dbraw/zinc/06/29/13/285062913.db2.gz UAKUFLDOGVJDND-QWHCGFSZSA-N 1 0 274.405 0.161 10 0 CCAERO O=S1(=O)CC[C@@H](CN2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000094449404 285064663 /nfs/dbraw/zinc/06/46/63/285064663.db2.gz FCKROBSRHLNDCE-RYUDHWBXSA-N 1 0 258.387 0.201 10 0 CCAERO C[NH2+][C@@H]1CCN(S(=O)(=O)[C@@H](C)C(F)(F)F)C1 ZINC000335347666 208245241 /nfs/dbraw/zinc/24/52/41/208245241.db2.gz UARSFTHDQKTIQC-NKWVEPMBSA-N 1 0 260.281 0.561 10 0 CCAERO C[C@@H](C(F)(F)F)S(=O)(=O)N1CCC[C@H](C[NH3+])C1 ZINC000335372444 208303052 /nfs/dbraw/zinc/30/30/52/208303052.db2.gz MBEQWCGYAOPIRD-JGVFFNPUSA-N 1 0 274.308 0.938 10 0 CCAERO O=C(NC1C[NH2+]C1)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000335385796 208333201 /nfs/dbraw/zinc/33/32/01/208333201.db2.gz GSCRXKUAACIXBN-UHFFFAOYSA-N 1 0 294.399 0.392 10 0 CCAERO O=C(CN1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)NC1CC1 ZINC000303046022 285167343 /nfs/dbraw/zinc/16/73/43/285167343.db2.gz VJYQVHUUQCBCQV-KBPBESRZSA-N 1 0 281.400 0.186 10 0 CCAERO CC(C)[C@H](C)NC(=O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000392884778 285205942 /nfs/dbraw/zinc/20/59/42/285205942.db2.gz KMPQHKCQMKSBAB-GARJFASQSA-N 1 0 255.362 0.404 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C1(C(=O)NC)CC1 ZINC000177014199 285233563 /nfs/dbraw/zinc/23/35/63/285233563.db2.gz VWJYAOAKOFZBNF-LLVKDONJSA-N 1 0 267.373 0.455 10 0 CCAERO C[NH+](C)CCNC(=O)CN1C(=O)CSc2ccccc21 ZINC000000218715 388752228 /nfs/dbraw/zinc/75/22/28/388752228.db2.gz NWCNRMSNCNVLKT-UHFFFAOYSA-N 1 0 293.392 0.803 10 0 CCAERO CN(CC[N@H+](C)C1CC1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000185421602 388803461 /nfs/dbraw/zinc/80/34/61/388803461.db2.gz VVIQZBVKSJLGDR-NSHDSACASA-N 1 0 292.387 0.329 10 0 CCAERO CC[C@@H]1CN(C(=O)Cc2ccn(C)n2)CC[N@@H+]1C[C@@H](C)O ZINC000183695091 388762602 /nfs/dbraw/zinc/76/26/02/388762602.db2.gz FFDBCVFWZJUKQR-TZMCWYRMSA-N 1 0 294.399 0.266 10 0 CCAERO Cc1nnc2ccc(N3CC[C@@H]4OCC[N@@H+](C)[C@H]4C3)nn12 ZINC000284418393 388777601 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O=C(Nc1ccc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1)C1CC1 ZINC000040856446 388858245 /nfs/dbraw/zinc/85/82/45/388858245.db2.gz ZWMQQOIAISDBEB-OLZOCXBDSA-N 1 0 289.335 0.696 10 0 CCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCN(C)C(=O)[C@@H]2C)C1 ZINC000187157733 388870177 /nfs/dbraw/zinc/87/01/77/388870177.db2.gz YMYVGLQDPQSUDR-AGIUHOORSA-N 1 0 296.415 0.587 10 0 CCAERO C[C@H](CNC(=O)NC1CC[NH+](C)CC1)N1CCOCC1 ZINC000071913140 388958745 /nfs/dbraw/zinc/95/87/45/388958745.db2.gz XNWFYUQWAKFCMK-GFCCVEGCSA-N 1 0 284.404 0.101 10 0 CCAERO COCCO[C@H]1CC[N@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000189663229 388967666 /nfs/dbraw/zinc/96/76/66/388967666.db2.gz KGALGTLFVKBLMX-STQMWFEESA-N 1 0 275.389 0.900 10 0 CCAERO C[C@@H](O)C[N@@H+]1CCN(CCOCC(F)F)C[C@H]1C ZINC000189157856 388950506 /nfs/dbraw/zinc/95/05/06/388950506.db2.gz QQPXIZXMRIHGBN-GHMZBOCLSA-N 1 0 266.332 0.655 10 0 CCAERO CC(=O)NC1CN(C(=O)NC[C@H](C)C[NH+]2CCCCC2)C1 ZINC000189932971 388977726 /nfs/dbraw/zinc/97/77/26/388977726.db2.gz PWRBZYJEIVPBBA-LBPRGKRZSA-N 1 0 296.415 0.638 10 0 CCAERO CN1CCO[C@H](C(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000081338346 389000356 /nfs/dbraw/zinc/00/03/56/389000356.db2.gz CDPCJMGZBJLQRD-AWEZNQCLSA-N 1 0 281.400 0.404 10 0 CCAERO C[C@@H]1CN(C(=O)C[N@H+](C)CC2CC(O)C2)C[C@H](C)O1 ZINC000091498936 389024617 /nfs/dbraw/zinc/02/46/17/389024617.db2.gz ZOKFLDXMXCDUFZ-MPEURRAXSA-N 1 0 270.373 0.325 10 0 CCAERO CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000193656963 389076543 /nfs/dbraw/zinc/07/65/43/389076543.db2.gz VTQFPKAHJDOMEQ-WCQGTBRESA-N 1 0 253.346 0.254 10 0 CCAERO Cc1nc(S(=O)(=O)N(C)C[C@@H]2CC[N@H+](C)C2)cn1C ZINC000104747944 389084963 /nfs/dbraw/zinc/08/49/63/389084963.db2.gz DBLXRLNTKWVUDB-LLVKDONJSA-N 1 0 286.401 0.301 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H](NC(C)=O)C2)C1 ZINC000194175536 389089716 /nfs/dbraw/zinc/08/97/16/389089716.db2.gz BBNGNFHNCGORLB-KGLIPLIRSA-N 1 0 296.415 0.781 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H](NC(C)=O)C2)C1 ZINC000194175523 389090004 /nfs/dbraw/zinc/09/00/04/389090004.db2.gz BBNGNFHNCGORLB-KBPBESRZSA-N 1 0 296.415 0.781 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(CCOC)CC2)C1 ZINC000194179010 389090499 /nfs/dbraw/zinc/09/04/99/389090499.db2.gz KHVQIHLCKWTSMQ-AWEZNQCLSA-N 1 0 298.431 0.444 10 0 CCAERO C[C@@H](C[NH3+])NC1CN(C(=O)OCc2ccccc2)C1 ZINC000307721583 389091703 /nfs/dbraw/zinc/09/17/03/389091703.db2.gz WWWDMXNJGROTHL-NSHDSACASA-N 1 0 263.341 0.944 10 0 CCAERO C[N@@H+]1C[C@H](CO)CC12CN(C(=O)OC(C)(C)C)C2 ZINC000307736340 389091823 /nfs/dbraw/zinc/09/18/23/389091823.db2.gz AHACRNPJDINPQJ-SNVBAGLBSA-N 1 0 256.346 0.920 10 0 CCAERO CO[C@@H](C)c1nsc(N(C)CCOCC[NH3+])n1 ZINC000310178724 389095320 /nfs/dbraw/zinc/09/53/20/389095320.db2.gz SHCUYYWEQPHSCK-QMMMGPOBSA-N 1 0 260.363 0.657 10 0 CCAERO O=C(NCc1nccs1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000194451773 389095876 /nfs/dbraw/zinc/09/58/76/389095876.db2.gz CNUVMBJYSWDNDN-NSHDSACASA-N 1 0 298.412 0.789 10 0 CCAERO CC(C)(C)CC[NH+]1CCN(C(=O)[C@H]2CNC(=O)C2)CC1 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Cc1cc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)n(C)n1 ZINC000116785170 389134572 /nfs/dbraw/zinc/13/45/72/389134572.db2.gz OMNPASZHCLKRKU-NSHDSACASA-N 1 0 266.345 0.131 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CN(C)CCO1 ZINC000245415257 389205801 /nfs/dbraw/zinc/20/58/01/389205801.db2.gz DBJGKXGCHFIFHC-RDBSUJKOSA-N 1 0 281.400 0.402 10 0 CCAERO CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@H]2CCCOCC2)nn1 ZINC000329729264 389193351 /nfs/dbraw/zinc/19/33/51/389193351.db2.gz CVYFCKUBZJSLFB-IACUBPJLSA-N 1 0 296.371 0.523 10 0 CCAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CCc3n[nH]cc3C2)C1 ZINC000121957620 389151088 /nfs/dbraw/zinc/15/10/88/389151088.db2.gz FHPHPXVUZJCOJL-VXGBXAGGSA-N 1 0 277.372 0.613 10 0 CCAERO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248054364 389244042 /nfs/dbraw/zinc/24/40/42/389244042.db2.gz WXNVRBDDJWJKEU-HUBLWGQQSA-N 1 0 297.399 0.848 10 0 CCAERO CC(C)(C)OC[C@H](O)C[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000248551984 389246938 /nfs/dbraw/zinc/24/69/38/389246938.db2.gz ABECUNIPIRFIBH-RISCZKNCSA-N 1 0 272.389 0.892 10 0 CCAERO CCCCOC[C@@H](O)C[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000248650741 389248601 /nfs/dbraw/zinc/24/86/01/389248601.db2.gz MENAPUXAPFYGLU-GXTWGEPZSA-N 1 0 272.389 0.894 10 0 CCAERO CN(C)C(=O)N1CCC([NH2+][C@H]2CCCNC2=O)CC1 ZINC000135361502 389256234 /nfs/dbraw/zinc/25/62/34/389256234.db2.gz UTDBQRCANFSXLA-NSHDSACASA-N 1 0 268.361 0.001 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCN(C)C1=O ZINC000245657652 389214824 /nfs/dbraw/zinc/21/48/24/389214824.db2.gz CTNKIAPHFWABLO-UPJWGTAASA-N 1 0 294.399 0.485 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCC(=O)N1CCOCC1 ZINC000247252323 389238061 /nfs/dbraw/zinc/23/80/61/389238061.db2.gz NPCFOXHPEVSNMF-KBPBESRZSA-N 1 0 281.400 0.404 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1=COCCO1 ZINC000247498649 389240389 /nfs/dbraw/zinc/24/03/89/389240389.db2.gz UVEWXECJCAMNEM-MNOVXSKESA-N 1 0 252.314 0.570 10 0 CCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C2=NN(C)C(=O)CC2)C1 ZINC000155538383 389319652 /nfs/dbraw/zinc/31/96/52/389319652.db2.gz ULFFBERCMKVFRN-PWSUYJOCSA-N 1 0 280.372 0.440 10 0 CCAERO CCC[C@H](C(=O)NC[C@@H]1CN(C2CC2)CCO1)[NH+](C)C ZINC000155966325 389323063 /nfs/dbraw/zinc/32/30/63/389323063.db2.gz PWMJJYBUVIYCIO-ZIAGYGMSSA-N 1 0 283.416 0.696 10 0 CCAERO O=C1NCCCC[C@H]1N1CC[NH+](CC2CC2)CC1 ZINC000156687713 389326903 /nfs/dbraw/zinc/32/69/03/389326903.db2.gz KFYPKBFVRJGZPO-CYBMUJFWSA-N 1 0 251.374 0.683 10 0 CCAERO CC(C)(C)[S@@](=O)CCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000158326211 389339623 /nfs/dbraw/zinc/33/96/23/389339623.db2.gz ZMEVEYOMJRVWNG-APPDUMDISA-N 1 0 264.366 0.351 10 0 CCAERO CCCNC(=O)CCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158375587 389340982 /nfs/dbraw/zinc/34/09/82/389340982.db2.gz LIKBICMHFLYIGN-STQMWFEESA-N 1 0 298.431 0.931 10 0 CCAERO CS(=O)(=O)NCCN1CC[C@@H](Oc2cccnc2)C1 ZINC000152226436 389286053 /nfs/dbraw/zinc/28/60/53/389286053.db2.gz NLBMSGQKZSQYAF-GFCCVEGCSA-N 1 0 285.369 0.084 10 0 CCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000262584223 389289648 /nfs/dbraw/zinc/28/96/48/389289648.db2.gz RSVZQQGRFCBCJN-MELADBBJSA-N 1 0 285.432 0.713 10 0 CCAERO CCC[C@@H](NC(N)=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000262587710 389289711 /nfs/dbraw/zinc/28/97/11/389289711.db2.gz ACZOQPYPMHBTNS-GHMZBOCLSA-N 1 0 272.393 0.655 10 0 CCAERO O[C@H]1C[NH2+]C[C@H]1CNCc1c[nH]nc1-c1ccccc1F ZINC000263212669 389297847 /nfs/dbraw/zinc/29/78/47/389297847.db2.gz KLGCPLRMOPSDCK-YGRLFVJLSA-N 1 0 290.342 0.886 10 0 CCAERO CO[C@@H]1C[C@H](CO)N(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000345489714 389306211 /nfs/dbraw/zinc/30/62/11/389306211.db2.gz NGHFEBCVKUJNOU-BFHYXJOUSA-N 1 0 284.400 0.859 10 0 CCAERO COC[C@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC(C)(C)O1 ZINC000332778564 389371008 /nfs/dbraw/zinc/37/10/08/389371008.db2.gz XHRFGZRBMDLFKN-QWHCGFSZSA-N 1 0 299.415 0.916 10 0 CCAERO C[C@@H](NC(=O)N(C)[C@H]1CCNC1=O)C1=CC[N@H+](C)CC1 ZINC000332881108 389386106 /nfs/dbraw/zinc/38/61/06/389386106.db2.gz NXHFWGZHJIEALS-PWSUYJOCSA-N 1 0 280.372 0.167 10 0 CCAERO C[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000333133112 389405928 /nfs/dbraw/zinc/40/59/28/389405928.db2.gz XCKCTWDAHJGXCZ-TUAOUCFPSA-N 1 0 280.372 0.143 10 0 CCAERO CN1C[C@@H](NC(=O)N[C@H]2CCCC[NH2+]C2)CCC1=O ZINC000333362665 389410323 /nfs/dbraw/zinc/41/03/23/389410323.db2.gz LIIGLSBDRINNCM-QWRGUYRKSA-N 1 0 268.361 0.049 10 0 CCAERO CC[NH+]1C[C@@H](C)N(CCC(=O)NC(=O)NC)[C@H](C)C1 ZINC000408471063 389358992 /nfs/dbraw/zinc/35/89/92/389358992.db2.gz XQEJPXYRARNBTN-GHMZBOCLSA-N 1 0 270.377 0.247 10 0 CCAERO CC(=O)N1CCC[C@@H](C(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000170858851 389466244 /nfs/dbraw/zinc/46/62/44/389466244.db2.gz VHYHIOOHGOUEAD-CHWSQXEVSA-N 1 0 267.373 0.407 10 0 CCAERO CN(C)C(=O)CCCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171904437 389482466 /nfs/dbraw/zinc/48/24/66/389482466.db2.gz RSNXYFQNDOWBKA-GFCCVEGCSA-N 1 0 282.388 0.344 10 0 CCAERO C[NH+](C)C[C@H]1CN(C(=O)[C@@H]2Cc3ccccc3O2)CCO1 ZINC000172307894 389486643 /nfs/dbraw/zinc/48/66/43/389486643.db2.gz KHPYQVLIZQLAJA-ZFWWWQNUSA-N 1 0 290.363 0.779 10 0 CCAERO COC(=O)[C@H](NC(=O)[C@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000164489222 389435175 /nfs/dbraw/zinc/43/51/75/389435175.db2.gz TWYJNXYGFGRRAR-ZWNOBZJWSA-N 1 0 276.336 0.872 10 0 CCAERO C[C@H]1CCC[C@@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000333790853 389443893 /nfs/dbraw/zinc/44/38/93/389443893.db2.gz MLCRFNMJSRLPTP-USZNOCQGSA-N 1 0 255.362 0.539 10 0 CCAERO C[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1COc2ccccc2C1 ZINC000334885082 389507352 /nfs/dbraw/zinc/50/73/52/389507352.db2.gz FAQIRNNZQBGCDB-DGCLKSJQSA-N 1 0 275.352 0.993 10 0 CCAERO CC[C@H]1CN(CCCN2CCOCC2)CC[N@@H+]1C[C@@H](C)O ZINC000173676525 389507524 /nfs/dbraw/zinc/50/75/24/389507524.db2.gz QYNOFZJREIUHCG-CVEARBPZSA-N 1 0 299.459 0.486 10 0 CCAERO CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CN(C)CCO2)CC1 ZINC000174392184 389520512 /nfs/dbraw/zinc/52/05/12/389520512.db2.gz IXBOHKYGTBQNMN-CQSZACIVSA-N 1 0 283.416 0.554 10 0 CCAERO CCN1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)C(C)(C)C1=O ZINC000335019974 389529638 /nfs/dbraw/zinc/52/96/38/389529638.db2.gz ZSLUHUZMTYKRCW-QWRGUYRKSA-N 1 0 267.373 0.583 10 0 CCAERO CC[C@@H]1CN([C@@H]2CCN(C(C)C)C2=O)CC[N@@H+]1C[C@@H](C)O ZINC000175189076 389536820 /nfs/dbraw/zinc/53/68/20/389536820.db2.gz XYNHMOPBYGNYLN-RBSFLKMASA-N 1 0 297.443 0.773 10 0 CCAERO CC(C)[N@H+](C)CC(=O)N1CCN(C)[C@@H](c2nccn2C)C1 ZINC000276789832 389540993 /nfs/dbraw/zinc/54/09/93/389540993.db2.gz VJJVTRDFVYJVCO-CYBMUJFWSA-N 1 0 293.415 0.575 10 0 CCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)CCCF)C1 ZINC000175596383 389544703 /nfs/dbraw/zinc/54/47/03/389544703.db2.gz FWOPWFMDDSMDKF-MNOVXSKESA-N 1 0 266.382 0.994 10 0 CCAERO CC(C)(C)OC(=O)NCC[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000177511394 389584543 /nfs/dbraw/zinc/58/45/43/389584543.db2.gz JPPLGENTCWQJOM-ZDUSSCGKSA-N 1 0 299.415 0.918 10 0 CCAERO CO[C@@H]1C[C@@H](CO)N(CC(=O)N2C[C@H](C)C[C@H](C)C2)C1 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CS(=O)(=O)CCCCN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000647908188 390214956 /nfs/dbraw/zinc/21/49/56/390214956.db2.gz FULNZNDDNUCDCL-QJPTWQEYSA-N 1 0 260.403 0.480 10 0 CCAERO Cn1cc(CC(=O)N2C[C@@H]([NH3+])CC[C@H]2C(F)(F)F)cn1 ZINC000583619835 390299621 /nfs/dbraw/zinc/29/96/21/390299621.db2.gz NMSZGGCIBQHFEB-UWVGGRQHSA-N 1 0 290.289 0.843 10 0 CCAERO CS(=O)(=O)CCCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000644953225 390354673 /nfs/dbraw/zinc/35/46/73/390354673.db2.gz ZERHXMAJHWPYBX-RWMBFGLXSA-N 1 0 275.414 0.904 10 0 CCAERO CC[C@@H](C)NC(=O)CCNC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000643648236 390488672 /nfs/dbraw/zinc/48/86/72/390488672.db2.gz UGAFSGANXXASRY-RISCZKNCSA-N 1 0 285.388 0.176 10 0 CCAERO C[C@]1(CNC(=O)[C@@H]2C[NH2+]CCOC2)CCCS1 ZINC000643724067 390517644 /nfs/dbraw/zinc/51/76/44/390517644.db2.gz RGMMTVREVDFOMW-ZYHUDNBSSA-N 1 0 258.387 0.624 10 0 CCAERO COC[C@@]1(C(=O)N2CCCO[C@@H](C)C2)CCC[NH2+]1 ZINC000643676875 390497689 /nfs/dbraw/zinc/49/76/89/390497689.db2.gz CDEANCJJVQAMEH-WCQYABFASA-N 1 0 256.346 0.392 10 0 CCAERO COC[C@@]1(C(=O)N2CCS[C@H](C)C2)CCC[NH2+]1 ZINC000643679266 390498644 /nfs/dbraw/zinc/49/86/44/390498644.db2.gz RAXDEUZIIFGSJV-ZYHUDNBSSA-N 1 0 258.387 0.719 10 0 CCAERO O=C([C@H]1C[NH2+]CCOC1)N1CCc2ccccc2C1 ZINC000643614402 390468679 /nfs/dbraw/zinc/46/86/79/390468679.db2.gz VEVWJTDPXMDSCQ-AWEZNQCLSA-N 1 0 260.337 0.807 10 0 CCAERO COC[C@]1(C(=O)Nc2nnc(C)s2)CCC[NH2+]1 ZINC000643617619 390472565 /nfs/dbraw/zinc/47/25/65/390472565.db2.gz KHQWVRQSFHGTEH-JTQLQIEISA-N 1 0 256.331 0.554 10 0 CCAERO O=C(N[C@H]1CCOc2ccccc21)[C@H]1C[NH2+]CCOC1 ZINC000643619318 390473593 /nfs/dbraw/zinc/47/35/93/390473593.db2.gz SXAONAZXLHSZNK-AAEUAGOBSA-N 1 0 276.336 0.862 10 0 CCAERO COC[C@@]1(C(=O)N(C)CC(=O)NC(C)(C)C)CCC[NH2+]1 ZINC000643622293 390475471 /nfs/dbraw/zinc/47/54/71/390475471.db2.gz IGSIFBDFBHGQTF-CQSZACIVSA-N 1 0 285.388 0.128 10 0 CCAERO O=C(NCc1ccc(F)cc1F)[C@@H]1C[NH2+]CCOC1 ZINC000643629303 390479515 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CCc1cnc(CNC(=O)[C@@H]2C[NH2+]CCOC2)s1 ZINC000649343982 390597711 /nfs/dbraw/zinc/59/77/11/390597711.db2.gz LOVHQTACTDUJLT-SECBINFHSA-N 1 0 269.370 0.558 10 0 CCAERO COC[C@]1(C(=O)N[C@@H]2C[C@@H](C)O[C@@H](C)C2)CCC[NH2+]1 ZINC000649374913 390610501 /nfs/dbraw/zinc/61/05/01/390610501.db2.gz WKPZNOBZFYCSGS-OPDFLTKYSA-N 1 0 270.373 0.827 10 0 CCAERO C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1 ZINC000647033132 390761126 /nfs/dbraw/zinc/76/11/26/390761126.db2.gz PGBQYZHLXSPCAP-WDEREUQCSA-N 1 0 255.362 0.215 10 0 CCAERO CCc1cccc(OCC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000647040655 390763661 /nfs/dbraw/zinc/76/36/61/390763661.db2.gz CEHQNGYSCLZZHC-GXTWGEPZSA-N 1 0 278.352 0.324 10 0 CCAERO CO[C@@H](C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000647040427 390763679 /nfs/dbraw/zinc/76/36/79/390763679.db2.gz XOOHBCXIFBLJQK-RWMBFGLXSA-N 1 0 264.325 0.071 10 0 CCAERO C[C@H](CCC[NH3+])NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000647062853 390767833 /nfs/dbraw/zinc/76/78/33/390767833.db2.gz DWMAAVNAWCOAEW-NXEZZACHSA-N 1 0 267.329 0.642 10 0 CCAERO Ic1cnnn1CC1C[NH2+]C1 ZINC000575523306 390841707 /nfs/dbraw/zinc/84/17/07/390841707.db2.gz JKCARGKQLFDZDS-UHFFFAOYSA-N 1 0 264.070 0.102 10 0 CCAERO C[C@]12C[NH2+]C[C@H]1CN(CN1C(=O)c3ccccc3C1=O)C2 ZINC000575559683 390842140 /nfs/dbraw/zinc/84/21/40/390842140.db2.gz WFVUXGYUVMVEHY-MEDUHNTESA-N 1 0 285.347 0.781 10 0 CCAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H](CO)C2)C1 ZINC000342105684 130264456 /nfs/dbraw/zinc/26/44/56/130264456.db2.gz YLRVOVDHAFJBAL-FRRDWIJNSA-N 1 0 269.389 0.883 10 0 CCAERO COC(=O)N(C)CCCC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000171508605 335068007 /nfs/dbraw/zinc/06/80/07/335068007.db2.gz BZFLYJZZEYXMIM-NSHDSACASA-N 1 0 271.361 0.627 10 0 CCAERO Cc1ccc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c(=O)[nH]1 ZINC000113224373 292069850 /nfs/dbraw/zinc/06/98/50/292069850.db2.gz AMYFYOQAHFJNDE-NWDGAFQWSA-N 1 0 275.352 0.992 10 0 CCAERO CCC[C@H]([NH3+])C(=O)Nc1ccc(F)c(C(N)=O)c1 ZINC000037026642 397380215 /nfs/dbraw/zinc/38/02/15/397380215.db2.gz AFGCRZCZHWENRY-JTQLQIEISA-N 1 0 253.277 0.991 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cc(-c2ccccc2)on1 ZINC000262102112 143938056 /nfs/dbraw/zinc/93/80/56/143938056.db2.gz DVROEJKOVYYTAB-YPMHNXCESA-N 1 0 287.319 0.652 10 0 CCAERO CN(C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)c1cccnc1 ZINC000262103756 143938306 /nfs/dbraw/zinc/93/83/06/143938306.db2.gz DXOZTGUREDVJNX-KGLIPLIRSA-N 1 0 285.351 0.781 10 0 CCAERO CC1(C)CN(C(=O)CCCNC(=O)C2CC2)CC[C@@H]1[NH3+] ZINC000262139068 143940990 /nfs/dbraw/zinc/94/09/90/143940990.db2.gz XBEBMXLJLXVKCG-LBPRGKRZSA-N 1 0 281.400 0.879 10 0 CCAERO [NH3+]C1CCC(C(=O)N2CCC[C@@H]2C(=O)NC2CC2)CC1 ZINC000037806326 397387774 /nfs/dbraw/zinc/38/77/74/397387774.db2.gz ZCXBZAKAQNYCOF-GCZXYKMCSA-N 1 0 279.384 0.774 10 0 CCAERO C[C@]1(C(=O)NCCCn2cncn2)CCCC[NH2+]1 ZINC000381267119 397485843 /nfs/dbraw/zinc/48/58/43/397485843.db2.gz GRBXGOFLMQZSDV-GFCCVEGCSA-N 1 0 251.334 0.317 10 0 CCAERO O=C(CCOc1ccccc1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000370023099 144287931 /nfs/dbraw/zinc/28/79/31/144287931.db2.gz WKPMSZOOFWXBBT-KGLIPLIRSA-N 1 0 276.336 0.655 10 0 CCAERO CCC(=O)N1CCCN(C(=O)[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000384206589 397495658 /nfs/dbraw/zinc/49/56/58/397495658.db2.gz BUNLZJVATAKQEF-STQMWFEESA-N 1 0 281.400 0.845 10 0 CCAERO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)[C@H]1CNC(=O)C1 ZINC000371288834 144325671 /nfs/dbraw/zinc/32/56/71/144325671.db2.gz FSIYVIFKHQQQRW-GFCCVEGCSA-N 1 0 273.336 0.561 10 0 CCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCC(=O)NCC1CC1 ZINC000393101474 397513526 /nfs/dbraw/zinc/51/35/26/397513526.db2.gz OPHZPNOJWGGTTE-KOLCDFICSA-N 1 0 253.346 0.017 10 0 CCAERO Cn1c(=O)c2cc([C@H]3CCC[NH2+]C3)cnc2n(C)c1=O ZINC000616572527 397598534 /nfs/dbraw/zinc/59/85/34/397598534.db2.gz UXBBLYJSLWDQAQ-VIFPVBQESA-N 1 0 274.324 0.099 10 0 CCAERO CSCC[C@H]([NH3+])c1nnc2c(=O)n(C)ccn21 ZINC000616573813 397598553 /nfs/dbraw/zinc/59/85/53/397598553.db2.gz LDQSETMVNVRVAG-ZETCQYMHSA-N 1 0 253.331 0.181 10 0 CCAERO C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000123485196 296635764 /nfs/dbraw/zinc/63/57/64/296635764.db2.gz CSOLOQMGHDXHNG-MRVWCRGKSA-N 1 0 293.411 0.973 10 0 CCAERO CCO[C@@H]1C[C@@H]([NH2+]CC[C@H](O)COC)C12CCOCC2 ZINC000186439111 286282384 /nfs/dbraw/zinc/28/23/84/286282384.db2.gz KFQOHIKRVFMQRK-BFHYXJOUSA-N 1 0 287.400 0.948 10 0 CCAERO O=C([C@@H]1CSC(=O)N1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186499477 304376297 /nfs/dbraw/zinc/37/62/97/304376297.db2.gz YQWLSIFZWYTSAH-SCZZXKLOSA-N 1 0 269.370 0.554 10 0 CCAERO CCO[C@@H]1C[C@H](NC(=O)NC[C@H]2CC[NH2+]C2)[C@]12CCCO2 ZINC000333753034 286362433 /nfs/dbraw/zinc/36/24/33/286362433.db2.gz KFBJBQFHGBISNC-RMRHIDDWSA-N 1 0 297.399 0.622 10 0 CCAERO [NH3+]C1(C(=O)NCCO[C@H]2CC2(F)F)CCOCC1 ZINC000659344642 413438172 /nfs/dbraw/zinc/43/81/72/413438172.db2.gz BDVYXPJOXUDJPC-QMMMGPOBSA-N 1 0 264.272 0.035 10 0 CCAERO C[C@H]1CCC[C@@H](CNC(=O)C(C)(C)N2CC[NH2+]CC2)O1 ZINC000659361366 413445442 /nfs/dbraw/zinc/44/54/42/413445442.db2.gz JMUOMNXHZZNCGI-STQMWFEESA-N 1 0 283.416 0.744 10 0 CCAERO COC[C@@]1(C(=O)NC[C@@]2(C)CC2(F)F)CCC[NH2+]1 ZINC000659362085 413447502 /nfs/dbraw/zinc/44/75/02/413447502.db2.gz ODIMMYNEUOTUIK-GHMZBOCLSA-N 1 0 262.300 0.917 10 0 CCAERO CN(Cc1cccs1)C(=O)Cn1cc(C[NH3+])nn1 ZINC000050224846 411676389 /nfs/dbraw/zinc/67/63/89/411676389.db2.gz YEBZUONUQAMPNO-UHFFFAOYSA-N 1 0 265.342 0.457 10 0 CCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCCc2nc(C)cs2)C1 ZINC000063134924 411687073 /nfs/dbraw/zinc/68/70/73/411687073.db2.gz IMPRINBTAYCAHG-NXEZZACHSA-N 1 0 269.370 0.487 10 0 CCAERO CC(C)([NH3+])c1cn(CC(=O)NCc2ccc(F)cc2)nn1 ZINC000070117996 411689994 /nfs/dbraw/zinc/68/99/94/411689994.db2.gz LVMHXCHYKZIGPY-UHFFFAOYSA-N 1 0 291.330 0.927 10 0 CCAERO CC(C)([NH3+])c1cn(CC(=O)Nc2nccs2)nn1 ZINC000070118883 411690045 /nfs/dbraw/zinc/69/00/45/411690045.db2.gz ZOUMLBZYHCDTOW-UHFFFAOYSA-N 1 0 266.330 0.567 10 0 CCAERO CC(C)C[C@@H](CNC(=O)[C@H]1CNC(=O)C1)[NH+](C)C ZINC000110432937 411701446 /nfs/dbraw/zinc/70/14/46/411701446.db2.gz HPOJOPFHXPNGRU-MNOVXSKESA-N 1 0 255.362 0.215 10 0 CCAERO CC(=O)N[C@@H]1CCN(C(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000133675069 411729794 /nfs/dbraw/zinc/72/97/94/411729794.db2.gz FGNORLRUFCFGPV-YPMHNXCESA-N 1 0 253.346 0.256 10 0 CCAERO CC[C@H]1CN(C(=O)C(C)(C)N2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000404130377 411791599 /nfs/dbraw/zinc/79/15/99/411791599.db2.gz WJPZMJUQTOJRGY-STQMWFEESA-N 1 0 283.416 0.696 10 0 CCAERO COCCOC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1CO ZINC000300726495 411743370 /nfs/dbraw/zinc/74/33/70/411743370.db2.gz HYTUEBILXPFJAQ-YNEHKIRRSA-N 1 0 261.362 0.151 10 0 CCAERO COc1cccc(C(=O)N2CC[C@@H]([NH3+])[C@H]2C)c1O ZINC000310737351 411747736 /nfs/dbraw/zinc/74/77/36/411747736.db2.gz FCGCNDYNHRPQLY-PSASIEDQSA-N 1 0 250.298 0.963 10 0 CCAERO COC1(C(=O)N[C@H]2CCC[C@@H](O)C2)CC[NH2+]CC1 ZINC000310831198 411748142 /nfs/dbraw/zinc/74/81/42/411748142.db2.gz GQXMNONCWVPZJH-WDEREUQCSA-N 1 0 256.346 0.175 10 0 CCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC(CCO)CC1 ZINC000401101925 411779935 /nfs/dbraw/zinc/77/99/35/411779935.db2.gz CZQDNVBINWJCCW-CHWSQXEVSA-N 1 0 254.374 0.982 10 0 CCAERO FC(F)(F)COCCN1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404078258 411791483 /nfs/dbraw/zinc/79/14/83/411791483.db2.gz OCGWONAHPHKXQZ-UWVGGRQHSA-N 1 0 268.279 0.628 10 0 CCAERO CCc1cc(N2CCO[C@H]([C@@H](C)[NH3+])C2)nc(C)n1 ZINC000132881509 411727137 /nfs/dbraw/zinc/72/71/37/411727137.db2.gz NHRHKZWDZJKTJD-SKDRFNHKSA-N 1 0 250.346 0.900 10 0 CCAERO C[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)C2)[C@@H]1CC[NH3+] ZINC000404283162 411795901 /nfs/dbraw/zinc/79/59/01/411795901.db2.gz PLFOMDOABBNFLG-OUAUKWLOSA-N 1 0 253.346 0.098 10 0 CCAERO Cc1ncc(C[N@@H+]2CCC[C@@](O)(C(N)=O)C2)s1 ZINC000284478644 196064817 /nfs/dbraw/zinc/06/48/17/196064817.db2.gz ARRWYWZZPABPRY-NSHDSACASA-N 1 0 255.343 0.264 10 0 CCAERO COCc1nc(C[NH2+]CC[C@@]2(O)CCOC2)cs1 ZINC000651942994 411965116 /nfs/dbraw/zinc/96/51/16/411965116.db2.gz AHZGKNYCVUVPSK-GFCCVEGCSA-N 1 0 272.370 0.921 10 0 CCAERO CC(=O)NCC[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000020185197 171048190 /nfs/dbraw/zinc/04/81/90/171048190.db2.gz WYJTTWQSXRUWKT-UHFFFAOYSA-N 1 0 259.309 0.754 10 0 CCAERO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C[NH3+] ZINC000020189902 171057112 /nfs/dbraw/zinc/05/71/12/171057112.db2.gz LKOXNAKQSXKHCC-UHFFFAOYSA-N 1 0 286.353 0.175 10 0 CCAERO O=S(=O)(Nc1ccc(F)cc1F)N1CC[NH2+]CC1 ZINC000020247681 171100657 /nfs/dbraw/zinc/10/06/57/171100657.db2.gz YMFHXFJTCMJNHI-UHFFFAOYSA-N 1 0 277.296 0.527 10 0 CCAERO C[C@H]([NH2+][C@H]1CN2CCC1CC2)C(=O)N1CCCC1 ZINC000020301686 171139592 /nfs/dbraw/zinc/13/95/92/171139592.db2.gz BRTQVZLDKHMATO-AAEUAGOBSA-N 1 0 251.374 0.681 10 0 CCAERO COc1cccc([C@@H](C[NH2+][C@H](C)C(N)=O)N(C)C)c1 ZINC000020310021 171144342 /nfs/dbraw/zinc/14/43/42/171144342.db2.gz FMFBDMMFYRQUFF-ZWNOBZJWSA-N 1 0 265.357 0.761 10 0 CCAERO c1ccn2c(c1)nnc2C[NH2+][C@@H]1CN2CCC1CC2 ZINC000020441771 171204863 /nfs/dbraw/zinc/20/48/63/171204863.db2.gz QGBXCZRDXISGQN-GFCCVEGCSA-N 1 0 257.341 0.913 10 0 CCAERO COCC[NH2+]Cc1cccc(OC)c1OCC(N)=O ZINC000020872587 171277340 /nfs/dbraw/zinc/27/73/40/171277340.db2.gz SQXFRLLHNSWWFV-UHFFFAOYSA-N 1 0 268.313 0.295 10 0 CCAERO CN1CCN(S(=O)(=O)c2cccc(C[NH3+])c2)CC1 ZINC000022175469 171370467 /nfs/dbraw/zinc/37/04/67/171370467.db2.gz NXYASIGVRFAOGD-UHFFFAOYSA-N 1 0 269.370 0.081 10 0 CCAERO NC(=O)C1CCN(CC(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000022220946 171377762 /nfs/dbraw/zinc/37/77/62/171377762.db2.gz DFJDLWQWTZAUMA-UHFFFAOYSA-N 1 0 290.367 0.281 10 0 CCAERO O=C(NC[C@@H]1CCCO1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653055839 412203268 /nfs/dbraw/zinc/20/32/68/412203268.db2.gz NMDBCSUGIOWGDT-DJLDLDEBSA-N 1 0 266.263 0.680 10 0 CCAERO C[C@H](Cn1ccnc1)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653111613 412223271 /nfs/dbraw/zinc/22/32/71/412223271.db2.gz UROBTCKMZXTXSA-OPRDCNLKSA-N 1 0 290.289 0.786 10 0 CCAERO COc1cccc(OC)c1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000653138757 412238657 /nfs/dbraw/zinc/23/86/57/412238657.db2.gz JGKGPMQNUZSPDS-ZJUUUORDSA-N 1 0 280.324 0.014 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cc2ccccc2[nH]1 ZINC000653138661 412238743 /nfs/dbraw/zinc/23/87/43/412238743.db2.gz DYNQQIYCPJTNLR-GWCFXTLKSA-N 1 0 259.309 0.478 10 0 CCAERO C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)c1cn[nH]c1 ZINC000653158096 412246602 /nfs/dbraw/zinc/24/66/02/412246602.db2.gz VCLFLFDNOXQBAP-NBEYISGCSA-N 1 0 276.262 0.985 10 0 CCAERO C[C@H]1C[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CO1 ZINC000653168262 412250650 /nfs/dbraw/zinc/25/06/50/412250650.db2.gz VPFINJYQPYTNEP-RBXMUDONSA-N 1 0 266.263 0.678 10 0 CCAERO CCCNC(=O)C[NH2+][C@H](C)C(=O)N[C@H](C)CCC ZINC000035207105 172051979 /nfs/dbraw/zinc/05/19/79/172051979.db2.gz RBVLLATYVHLWMX-GHMZBOCLSA-N 1 0 257.378 0.796 10 0 CCAERO CC[NH2+]Cc1cccc(OC)c1OCC(=O)NC ZINC000035413702 172186488 /nfs/dbraw/zinc/18/64/88/172186488.db2.gz OESKVOANOPQYGH-UHFFFAOYSA-N 1 0 252.314 0.930 10 0 CCAERO C[C@H](O)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1 ZINC000035634220 172317877 /nfs/dbraw/zinc/31/78/77/172317877.db2.gz JIRQFGUNVQAUDW-JTQLQIEISA-N 1 0 272.370 0.580 10 0 CCAERO C[C@H](C(=O)N[C@@H](C)c1ccncc1)N1CC[NH2+]CC1 ZINC000035694178 172362693 /nfs/dbraw/zinc/36/26/93/172362693.db2.gz KWPNHJKLMALMIN-NWDGAFQWSA-N 1 0 262.357 0.553 10 0 CCAERO CN([C@@H]1C[NH2+]C[C@H]1O)S(=O)(=O)/C=C/c1ccccc1 ZINC000036266989 172562095 /nfs/dbraw/zinc/56/20/95/172562095.db2.gz KSMAKYYHVXQOAI-WUOSCTTQSA-N 1 0 282.365 0.252 10 0 CCAERO Cc1n[nH]c(C)c1S(=O)(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC000036284783 172578875 /nfs/dbraw/zinc/57/88/75/172578875.db2.gz AQMHWUBHZNZBLQ-VHSXEESVSA-N 1 0 270.358 0.009 10 0 CCAERO [NH3+]CCNC(=O)C(=O)Nc1ccccc1OC(F)F ZINC000037243993 173059756 /nfs/dbraw/zinc/05/97/56/173059756.db2.gz BORAAQDMNREXRD-UHFFFAOYSA-N 1 0 273.239 0.301 10 0 CCAERO COc1ccc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1F ZINC000037290815 173096146 /nfs/dbraw/zinc/09/61/46/173096146.db2.gz LKJICLLUBPMISW-SCZZXKLOSA-N 1 0 254.261 0.496 10 0 CCAERO CNC(=O)[C@H](C)N(CCC[NH3+])c1cccc(OC)c1 ZINC000037298682 173102703 /nfs/dbraw/zinc/10/27/03/173102703.db2.gz GIHMZLJZNOJHNQ-NSHDSACASA-N 1 0 265.357 0.985 10 0 CCAERO CS(=O)(=O)c1cccc(OC[C@H](O)C[NH2+]C2CC2)c1 ZINC000037369641 173158575 /nfs/dbraw/zinc/15/85/75/173158575.db2.gz GGBLNIKMUHGXCO-LLVKDONJSA-N 1 0 285.365 0.582 10 0 CCAERO NC(=O)[C@H]1CCCCN1C(=O)C[NH2+]C1CCCC1 ZINC000037495925 173235364 /nfs/dbraw/zinc/23/53/64/173235364.db2.gz MQHYWYBJGJQPMY-LLVKDONJSA-N 1 0 253.346 0.385 10 0 CCAERO COC(=O)[C@@H]1CCCN1C(=O)C1CCC([NH3+])CC1 ZINC000037804292 173744203 /nfs/dbraw/zinc/74/42/03/173744203.db2.gz ZLIHMJUDEZSWNN-ILDUYXDCSA-N 1 0 254.330 0.668 10 0 CCAERO COc1ccccc1CN(CCO)C(=O)CC[NH3+] ZINC000037824159 173778692 /nfs/dbraw/zinc/77/86/92/173778692.db2.gz OTCGHXSMQBEBMR-UHFFFAOYSA-N 1 0 252.314 0.365 10 0 CCAERO COC[C@H](C)NS(=O)(=O)Cc1cccc(C[NH3+])c1 ZINC000037918497 173854699 /nfs/dbraw/zinc/85/46/99/173854699.db2.gz WHMSUASDVBPGGA-JTQLQIEISA-N 1 0 272.370 0.600 10 0 CCAERO CCn1cccc1C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000038031145 174025217 /nfs/dbraw/zinc/02/52/17/174025217.db2.gz BAYMHRKFSPFDAM-UHFFFAOYSA-N 1 0 278.356 0.012 10 0 CCAERO CS(=O)(=O)CCN(CC[NH3+])Cc1ccccc1 ZINC000038033233 174030538 /nfs/dbraw/zinc/03/05/38/174030538.db2.gz PXCJNBPMTPSZGK-UHFFFAOYSA-N 1 0 256.371 0.492 10 0 CCAERO NS(=O)(=O)Cc1ccc(NC2CC[NH2+]CC2)cc1 ZINC000038041372 174042115 /nfs/dbraw/zinc/04/21/15/174042115.db2.gz RKZHBULAOMYCGL-UHFFFAOYSA-N 1 0 269.370 0.639 10 0 CCAERO CN(C(=O)[C@@H]1CCCN1C1CC[NH2+]CC1)C1CC1 ZINC000038043033 174049210 /nfs/dbraw/zinc/04/92/10/174049210.db2.gz OKXRDYBIBZKRQW-ZDUSSCGKSA-N 1 0 251.374 0.824 10 0 CCAERO C[C@H]([NH2+]CCCS(C)(=O)=O)[C@H]1CCCN(C)C1 ZINC000038047494 174057987 /nfs/dbraw/zinc/05/79/87/174057987.db2.gz UFDHLLGCXREQTE-RYUDHWBXSA-N 1 0 262.419 0.741 10 0 CCAERO CS(=O)(=O)CCC[NH2+]Cc1ccccc1C(N)=O ZINC000038048322 174058728 /nfs/dbraw/zinc/05/87/28/174058728.db2.gz NBSTVJMYTMMQLI-UHFFFAOYSA-N 1 0 270.354 0.310 10 0 CCAERO CC[C@H](C)[NH2+]C1(C(N)=O)CCC2(CC1)OCCO2 ZINC000038065167 174075831 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ZINC000038101007 174116369 /nfs/dbraw/zinc/11/63/69/174116369.db2.gz JCXIYANGTUUMDM-UHFFFAOYSA-N 1 0 255.362 0.489 10 0 CCAERO CCCN(CC(=O)N(C)C)C(=O)C1([NH3+])CCCC1 ZINC000038101155 174116401 /nfs/dbraw/zinc/11/64/01/174116401.db2.gz HHFNBXGXYWDQKY-UHFFFAOYSA-N 1 0 255.362 0.585 10 0 CCAERO COC(=O)C[C@@H]1CCCCN1C(=O)C[NH2+]C1CC1 ZINC000038101964 174118439 /nfs/dbraw/zinc/11/84/39/174118439.db2.gz XHXSSENMAWAELQ-NSHDSACASA-N 1 0 254.330 0.683 10 0 CCAERO C[C@]1(NC(=O)NCCCCCC[NH3+])CCS(=O)(=O)C1 ZINC000040167821 174198873 /nfs/dbraw/zinc/19/88/73/174198873.db2.gz WAEMNJNIMXYOLE-LBPRGKRZSA-N 1 0 291.417 0.382 10 0 CCAERO Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)[NH3+] ZINC000040413378 174255130 /nfs/dbraw/zinc/25/51/30/174255130.db2.gz LRQBGAALOZKEEH-SECBINFHSA-N 1 0 285.369 0.531 10 0 CCAERO CN(CC(=O)Nc1nccs1)[C@@H](C[NH3+])C(F)(F)F ZINC000662328924 414710796 /nfs/dbraw/zinc/71/07/96/414710796.db2.gz HRWULNCXKXLNOZ-LURJTMIESA-N 1 0 282.291 0.903 10 0 CCAERO O=C(c1nc[nH]n1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662597753 414731618 /nfs/dbraw/zinc/73/16/18/414731618.db2.gz ZVXMCFWBLXCCBE-LLVKDONJSA-N 1 0 263.345 0.657 10 0 CCAERO CN1CCO[C@@H](CNC(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000662789090 414794234 /nfs/dbraw/zinc/79/42/34/414794234.db2.gz RWCAMRXJPACNHA-NSHDSACASA-N 1 0 267.373 0.095 10 0 CCAERO O=C([C@H]1C[NH2+]CCOC1)N1CCC[C@@H](CCF)C1 ZINC000662879747 414865042 /nfs/dbraw/zinc/86/50/42/414865042.db2.gz NWWLZOSOYJXOJF-RYUDHWBXSA-N 1 0 258.337 0.821 10 0 CCAERO CN(C(=O)C[C@@H]1CCOC1)[C@H](C[NH3+])C(F)(F)F ZINC000662980261 414931376 /nfs/dbraw/zinc/93/13/76/414931376.db2.gz OYTLQMBYZDKCTJ-JGVFFNPUSA-N 1 0 254.252 0.761 10 0 CCAERO C[C@]1(C(F)F)CN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000663007424 414947313 /nfs/dbraw/zinc/94/73/13/414947313.db2.gz HPHXQAFJAQLPBP-VDDIYKPWSA-N 1 0 262.300 0.996 10 0 CCAERO CC(C)CN(C(C)C)S(=O)(=O)N1CCC[NH2+]CC1 ZINC000042585424 174807810 /nfs/dbraw/zinc/80/78/10/174807810.db2.gz DSRSODCLVBNUJJ-UHFFFAOYSA-N 1 0 277.434 0.893 10 0 CCAERO COCCN(C(=O)C[NH2+]CC1CC1)[C@@H](C)COC ZINC000042610163 174823451 /nfs/dbraw/zinc/82/34/51/174823451.db2.gz ONKHEWZBNLSEPB-NSHDSACASA-N 1 0 258.362 0.496 10 0 CCAERO OCC1CC([NH2+]C[C@H](O)COCc2cccs2)C1 ZINC000663374138 415052189 /nfs/dbraw/zinc/05/21/89/415052189.db2.gz FNLCWDKAZFFPAJ-MCIGGMRASA-N 1 0 271.382 0.986 10 0 CCAERO CCN(c1ccc(C[NH3+])cc1)S(=O)(=O)CCOC ZINC000042807180 174883134 /nfs/dbraw/zinc/88/31/34/174883134.db2.gz MOEPZUJTXZYQBH-UHFFFAOYSA-N 1 0 272.370 0.948 10 0 CCAERO COCCS(=O)(=O)NCc1cccc(C[NH3+])c1 ZINC000042807203 174883181 /nfs/dbraw/zinc/88/31/81/174883181.db2.gz NZOVYBSOYROZMJ-UHFFFAOYSA-N 1 0 258.343 0.211 10 0 CCAERO CNC(=O)COc1cc2c(cc1C[C@H](C)[NH3+])OCO2 ZINC000042878323 174901168 /nfs/dbraw/zinc/90/11/68/174901168.db2.gz LEQKOUITBOXPMU-QMMMGPOBSA-N 1 0 266.297 0.430 10 0 CCAERO CCOc1cc(NC[C@@H]2C[NH2+]C[C@@H]2O)nc(C)n1 ZINC000663272404 415032712 /nfs/dbraw/zinc/03/27/12/415032712.db2.gz NVFDGZUAQLXRPO-UWVGGRQHSA-N 1 0 252.318 0.176 10 0 CCAERO C[C@@H]1CN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)[C@H](C)CO1 ZINC000261845290 296901234 /nfs/dbraw/zinc/90/12/34/296901234.db2.gz ASQOSYPIPSZRRO-OXHZDVMGSA-N 1 0 292.383 0.359 10 0 CCAERO CO[C@H]1CS(=O)(=O)C[C@H]1Nc1cc[nH+]c(C)c1 ZINC000664268593 415321984 /nfs/dbraw/zinc/32/19/84/415321984.db2.gz KFBCHEFMSGUUNP-MNOVXSKESA-N 1 0 256.327 0.036 10 0 CCAERO CCN(C[C@@H](C)C[NH3+])c1nc(OC)nc(OC)n1 ZINC000061450636 175645341 /nfs/dbraw/zinc/64/53/41/175645341.db2.gz IKVMLVOSCCOYBX-QMMMGPOBSA-N 1 0 255.322 0.310 10 0 CCAERO O[C@H](COC[C@@H]1CCCO1)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000171626906 335072680 /nfs/dbraw/zinc/07/26/80/335072680.db2.gz NJYRIRZGFRGKBT-KKUMJFAQSA-N 1 0 284.400 0.323 10 0 CCAERO C[NH2+]C[C@H]1CCN(CC(=O)NCc2ccco2)C1 ZINC000071147091 176043652 /nfs/dbraw/zinc/04/36/52/176043652.db2.gz KCCBADWNXDZBTK-LLVKDONJSA-N 1 0 251.330 0.437 10 0 CCAERO COC[C@@H](C)CNS(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000071244248 176094190 /nfs/dbraw/zinc/09/41/90/176094190.db2.gz GOOXYSLLPOGNIP-VIFPVBQESA-N 1 0 290.360 0.845 10 0 CCAERO CCN(c1nc(OC)nc(OC)n1)[C@@H]1CC[NH2+]C1 ZINC000071314252 176121279 /nfs/dbraw/zinc/12/12/79/176121279.db2.gz SMWQYQQCUVFUJA-MRVPVSSYSA-N 1 0 253.306 0.077 10 0 CCAERO CNC(=O)[C@H](C)[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000071335902 176127393 /nfs/dbraw/zinc/12/73/93/176127393.db2.gz DEWJLLHEEURYHB-QMMMGPOBSA-N 1 0 257.334 0.330 10 0 CCAERO CNC(=O)NC(=O)[C@@H](C)NCC[N@H+](C)C1CCCC1 ZINC000071377338 176141881 /nfs/dbraw/zinc/14/18/81/176141881.db2.gz IMISHCREAGCEIU-SNVBAGLBSA-N 1 0 270.377 0.295 10 0 CCAERO Cc1cc[n+](-c2ccncc2S(N)(=O)=O)cc1 ZINC000072105917 176316414 /nfs/dbraw/zinc/31/64/14/176316414.db2.gz ZCBSHWZFPJSOAT-UHFFFAOYSA-N 1 0 250.303 0.314 10 0 CCAERO C[NH2+]CCC(=O)NCCc1ccc2c(c1)ncn2C ZINC000076325399 176989275 /nfs/dbraw/zinc/98/92/75/176989275.db2.gz WWAKZSUAXNFVLY-UHFFFAOYSA-N 1 0 260.341 0.842 10 0 CCAERO C[NH2+]Cc1nnnn1Cc1ccc(OC)cc1OC ZINC000076361314 177002001 /nfs/dbraw/zinc/00/20/01/177002001.db2.gz JHIIQEHYYHRBEK-UHFFFAOYSA-N 1 0 263.301 0.458 10 0 CCAERO CN(CC[NH3+])CCCc1ccc2c(c1)oc(=O)n2C ZINC000076362670 177002850 /nfs/dbraw/zinc/00/28/50/177002850.db2.gz MHJHXNGNFXYKAC-UHFFFAOYSA-N 1 0 263.341 0.955 10 0 CCAERO CCOC(=O)N1CCN(C(=O)C[C@H](C)C[NH3+])CC1 ZINC000076664095 177050001 /nfs/dbraw/zinc/05/00/01/177050001.db2.gz CAVYDZQPNFLDNG-JTQLQIEISA-N 1 0 257.334 0.272 10 0 CCAERO CC(C)NC(=O)NC1CCC2(CC1)C[NH2+]CCO2 ZINC000725243725 545873286 /nfs/dbraw/zinc/87/32/86/545873286.db2.gz FNAXCXMZDJWKDP-UHFFFAOYSA-N 1 0 255.362 0.995 10 0 CCAERO O=S(=O)(NC1CCC2(CC1)C[NH2+]CCO2)C1CC1 ZINC000725243957 545873482 /nfs/dbraw/zinc/87/34/82/545873482.db2.gz LUPIPSBJDIDGOR-UHFFFAOYSA-N 1 0 274.386 0.369 10 0 CCAERO CC(C)C[NH2+]CC[C@@H](CO)[C@@H]1CCS(=O)(=O)C1 ZINC000725267453 545886644 /nfs/dbraw/zinc/88/66/44/545886644.db2.gz IEHYQUQDSJYAQM-NWDGAFQWSA-N 1 0 263.403 0.665 10 0 CCAERO CCCS(=O)(=O)N1C[C@H](C)OC2(CC[NH2+]CC2)C1 ZINC000725271235 545887641 /nfs/dbraw/zinc/88/76/41/545887641.db2.gz AOXKPWHNVIOEHB-NSHDSACASA-N 1 0 276.402 0.569 10 0 CCAERO CCCNC(=O)N1C[C@H](C)OC2(CC[NH2+]CC2)C1 ZINC000725272905 545889037 /nfs/dbraw/zinc/88/90/37/545889037.db2.gz VKWZQYIMURHBET-NSHDSACASA-N 1 0 255.362 0.949 10 0 CCAERO C[NH+](C)C[C@@H]1COC[C@H]1[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000725273980 545889289 /nfs/dbraw/zinc/88/92/89/545889289.db2.gz ZXWRATKTJWSGBW-IJLUTSLNSA-N 1 0 256.346 0.360 10 0 CCAERO C[NH+]1CCN(CCNC(=O)c2cc3ccccn3n2)CC1 ZINC000032951706 544420065 /nfs/dbraw/zinc/42/00/65/544420065.db2.gz BPXLIBAHBPDTCE-UHFFFAOYSA-N 1 0 287.367 0.312 10 0 CCAERO O=C(C[C@H]1CCC[NH2+]C1)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000054307687 544442748 /nfs/dbraw/zinc/44/27/48/544442748.db2.gz UAVAWCXYCGNEGS-CABCVRRESA-N 1 0 295.427 0.699 10 0 CCAERO O=c1[nH]c(N[C@@H]2c3ccccc3C[C@@H]2O)nc2c1CC[NH2+]C2 ZINC000077299041 544466629 /nfs/dbraw/zinc/46/66/29/544466629.db2.gz CSZWUJSTBMFBSD-UONOGXRCSA-N 1 0 298.346 0.898 10 0 CCAERO C[C@H](C[C@](C)([NH3+])C(N)=O)n1cc(Br)cn1 ZINC000082800540 544486702 /nfs/dbraw/zinc/48/67/02/544486702.db2.gz BDUCMSAAJAYTCB-MUWHJKNJSA-N 1 0 275.150 0.799 10 0 CCAERO CCNC(=O)N1CCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089455638 544513450 /nfs/dbraw/zinc/51/34/50/544513450.db2.gz QIKLVRUMDLMGGA-RYUDHWBXSA-N 1 0 282.388 0.235 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCN(c2ncccn2)CC1 ZINC000089449366 544513469 /nfs/dbraw/zinc/51/34/69/544513469.db2.gz RNAXBIXAOAWDQQ-STQMWFEESA-N 1 0 289.383 0.500 10 0 CCAERO NC(=O)C1CCC(NC(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089451531 544513645 /nfs/dbraw/zinc/51/36/45/544513645.db2.gz GKPBRHMJAZVXPT-ADPBJBESSA-N 1 0 267.373 0.522 10 0 CCAERO NC(=O)CN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])C1CCCC1 ZINC000089456924 544514517 /nfs/dbraw/zinc/51/45/17/544514517.db2.gz UIOMOVSLXAOIPL-CMPLNLGQSA-N 1 0 267.373 0.618 10 0 CCAERO CN(C)C(=O)N1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089457378 544515103 /nfs/dbraw/zinc/51/51/03/544515103.db2.gz CWVTZHLZNLUUFF-VXGBXAGGSA-N 1 0 282.388 0.187 10 0 CCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCCn1ccnn1 ZINC000127133704 544603665 /nfs/dbraw/zinc/60/36/65/544603665.db2.gz KAOMELRPKGSGFR-GHMZBOCLSA-N 1 0 251.334 0.159 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)NCCCN1CCOCC1 ZINC000136310400 544637224 /nfs/dbraw/zinc/63/72/24/544637224.db2.gz RMDHSBBTHMTJBA-LBPRGKRZSA-N 1 0 257.378 0.198 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H](C)CN1CCOCC1 ZINC000136325617 544637517 /nfs/dbraw/zinc/63/75/17/544637517.db2.gz XBWFMVFVXXRXKQ-VXGBXAGGSA-N 1 0 257.378 0.197 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccc(-n2cncn2)nc1 ZINC000136337393 544638008 /nfs/dbraw/zinc/63/80/08/544638008.db2.gz XICGNFWKKCTGKO-NSHDSACASA-N 1 0 274.328 0.974 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)Nc1ccc(-n2cncn2)nc1 ZINC000136337355 544638077 /nfs/dbraw/zinc/63/80/77/544638077.db2.gz XICGNFWKKCTGKO-LLVKDONJSA-N 1 0 274.328 0.974 10 0 CCAERO CC[C@@H](C)NC(=O)CCNC(=O)C[C@H]([NH3+])C(C)C ZINC000136410657 544639266 /nfs/dbraw/zinc/63/92/66/544639266.db2.gz NPHJUOCJOSHKPR-MNOVXSKESA-N 1 0 257.378 0.781 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000136467337 544639416 /nfs/dbraw/zinc/63/94/16/544639416.db2.gz AXFKCDCSAOTNOL-VHSXEESVSA-N 1 0 262.375 0.053 10 0 CCAERO C[C@@H](O)CN1CCN(C(=O)C2([NH3+])CCCC2)C[C@H]1C ZINC000178774514 544748157 /nfs/dbraw/zinc/74/81/57/544748157.db2.gz DQXNUOYJMHZURL-VXGBXAGGSA-N 1 0 269.389 0.171 10 0 CCAERO C[C@H]([NH2+]C[C@H](O)COC1CCOCC1)[C@H]1CCCO1 ZINC000183156539 544765127 /nfs/dbraw/zinc/76/51/27/544765127.db2.gz CJEDZVYMVDRQNB-SGMGOOAPSA-N 1 0 273.373 0.700 10 0 CCAERO O=S(=O)(CC[C@@H]1CCCO1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177613981 544742478 /nfs/dbraw/zinc/74/24/78/544742478.db2.gz GJFQVIHLYMKFRT-STQMWFEESA-N 1 0 288.413 0.665 10 0 CCAERO Cc1noc(CCNC(=O)[C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000227425486 544834102 /nfs/dbraw/zinc/83/41/02/544834102.db2.gz IEIWQTOEBOJDKG-ZJUUUORDSA-N 1 0 252.318 0.412 10 0 CCAERO Cc1nc2c([nH]1)C[C@H](C(=O)N1CCC[N@@H+](C)CC1)CC2 ZINC000220622721 544815935 /nfs/dbraw/zinc/81/59/35/544815935.db2.gz LWIBELCUJMVBSA-GFCCVEGCSA-N 1 0 276.384 0.987 10 0 CCAERO O=C(NC[C@@H]1CC[NH2+]C1)c1cccc2nccnc21 ZINC000228296661 544842094 /nfs/dbraw/zinc/84/20/94/544842094.db2.gz HGUXLTALAFZTRJ-SNVBAGLBSA-N 1 0 256.309 0.969 10 0 CCAERO CC(=O)N[C@@H]1CCN(C(=O)[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000229786619 544849911 /nfs/dbraw/zinc/84/99/11/544849911.db2.gz APJUUPQFWFQORF-JLLWLGSASA-N 1 0 253.346 0.112 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)NCCC(=O)NC(C)(C)C ZINC000228384855 544843017 /nfs/dbraw/zinc/84/30/17/544843017.db2.gz RJFPDNMKMYSIGW-SNVBAGLBSA-N 1 0 257.378 0.781 10 0 CCAERO C[C@H]1CN(Cc2nc(-c3ccccn3)no2)C[C@@H]1[NH3+] ZINC000235730745 544876747 /nfs/dbraw/zinc/87/67/47/544876747.db2.gz OYKOYVXQDFYKMQ-UWVGGRQHSA-N 1 0 259.313 0.911 10 0 CCAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCO[C@@H](Cn2cccn2)C1 ZINC000246732474 544911052 /nfs/dbraw/zinc/91/10/52/544911052.db2.gz YLKKWNJRTFXVRP-FRRDWIJNSA-N 1 0 278.356 0.238 10 0 CCAERO C[C@@H]([NH3+])CNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000249156360 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HSWSCONBXONNIG-WUHRBBMRSA-N 1 0 285.388 0.620 10 0 CCAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cnc2ccccn2c1=O ZINC000193577297 280045301 /nfs/dbraw/zinc/04/53/01/280045301.db2.gz YTRYDIWYEPAXSR-PWSUYJOCSA-N 1 0 286.335 0.565 10 0 CCAERO C[C@]1(CO)CCC[C@H]1[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000330227443 280161118 /nfs/dbraw/zinc/16/11/18/280161118.db2.gz UXAYKWGBXLHEJV-IIAWOOMASA-N 1 0 296.411 0.907 10 0 CCAERO CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000408091048 280335388 /nfs/dbraw/zinc/33/53/88/280335388.db2.gz NNKILWOUONYXGH-YNEHKIRRSA-N 1 0 281.400 0.973 10 0 CCAERO CC[C@@H]1C[C@H](C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC(=O)N1 ZINC000408200817 280539145 /nfs/dbraw/zinc/53/91/45/280539145.db2.gz BZZXLVSCMJNHSF-YNEHKIRRSA-N 1 0 281.400 0.844 10 0 CCAERO CC[C@H](OC1CCCCC1)C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262363585 281011458 /nfs/dbraw/zinc/01/14/58/281011458.db2.gz VJQFRGAAUUYIHK-XBFCOCLRSA-N 1 0 284.400 0.811 10 0 CCAERO CC[C@H]1CN(C(=O)C2CCOCC2)CC[N@@H+]1CCOC 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GFTNAWFQCWAXHG-CYBMUJFWSA-N 1 0 252.362 0.275 10 0 CCAERO C[C@@H]1CN(S(=O)(=O)N2CC[C@](C)(C[NH3+])C2)[C@@H](C)CO1 ZINC000261762096 297054675 /nfs/dbraw/zinc/05/46/75/297054675.db2.gz LUZVGNUDTAPRNE-QJPTWQEYSA-N 1 0 291.417 0.011 10 0 CCAERO CO[C@H](C)CCC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000183621465 294221940 /nfs/dbraw/zinc/22/19/40/294221940.db2.gz WJVHEHYZKKALSU-NEPJUHHUSA-N 1 0 258.362 0.591 10 0 CCAERO NC(=O)[C@H]1COCCN1CCC[NH+]1CCCCC1 ZINC000162207903 295159766 /nfs/dbraw/zinc/15/97/66/295159766.db2.gz ROLDCMGPWXIZKF-GFCCVEGCSA-N 1 0 255.362 0.049 10 0 CCAERO [NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)[C@H]2CCCOC2)C1 ZINC000262071471 295306505 /nfs/dbraw/zinc/30/65/05/295306505.db2.gz PGOLDPGKLKEVCX-MXWKQRLJSA-N 1 0 262.375 0.355 10 0 CCAERO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCOC1 ZINC000408073243 295535288 /nfs/dbraw/zinc/53/52/88/295535288.db2.gz VVBDNPCJGFULCW-OUAUKWLOSA-N 1 0 262.375 0.225 10 0 CCAERO C[C@@H]1C[C@@H]([NH2+][C@H](CS(C)(=O)=O)C2CC2)CCO1 ZINC000408012158 297287091 /nfs/dbraw/zinc/28/70/91/297287091.db2.gz BBUIRYVNESUXIK-ADEWGFFLSA-N 1 0 261.387 0.967 10 0 CCAERO C[C@@H]1CN([C@@H]2CCC[NH2+][C@H]2C)C[C@H](C)S1(=O)=O ZINC000400992645 545089521 /nfs/dbraw/zinc/08/95/21/545089521.db2.gz QRORQTKSLSDAEK-WHOHXGKFSA-N 1 0 260.403 0.634 10 0 CCAERO CN(C)C(=O)N1CC[NH+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000401747741 545090542 /nfs/dbraw/zinc/09/05/42/545090542.db2.gz WNMLXRXYRQEKMG-QWHCGFSZSA-N 1 0 269.389 0.837 10 0 CCAERO C[C@H](C(=O)NCC(C)(C)N1CCOCC1)C1C[NH2+]C1 ZINC000164378081 298145879 /nfs/dbraw/zinc/14/58/79/298145879.db2.gz HXIBFJAMRGNKRW-NSHDSACASA-N 1 0 269.389 0.069 10 0 CCAERO C[C@H]1COCCN1CC[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000374104836 300345107 /nfs/dbraw/zinc/34/51/07/300345107.db2.gz FYERAMWUUZESFL-QWHCGFSZSA-N 1 0 279.388 0.705 10 0 CCAERO Cc1[nH]n(C)c2nnc(NC(=O)C3([NH3+])CCCC3)c1-2 ZINC000237839230 302787102 /nfs/dbraw/zinc/78/71/02/302787102.db2.gz BXWOKCZLAMOQBD-UHFFFAOYSA-N 1 0 262.317 0.815 10 0 CCAERO [NH3+]C[C@@H]1CCCCN1C(=O)[C@H]1CCNCC1(F)F ZINC000334155722 303395734 /nfs/dbraw/zinc/39/57/34/303395734.db2.gz WDKXUJYADDMCEP-VHSXEESVSA-N 1 0 261.316 0.571 10 0 CCAERO O=S1(=O)CCC([NH2+][C@H]2CCCC[C@@H]2CO)CC1 ZINC000231293878 304785497 /nfs/dbraw/zinc/78/54/97/304785497.db2.gz QKPKHCOROSCGHZ-PWSUYJOCSA-N 1 0 261.387 0.704 10 0 CCAERO O[C@@H]1C[NH+](C[C@H]2CCC3(CCCCC3)O2)C[C@H]1O ZINC000300122811 304836987 /nfs/dbraw/zinc/83/69/87/304836987.db2.gz GMSRTOQZBDMKNH-JHJVBQTASA-N 1 0 255.358 0.906 10 0 CCAERO COCCN(Cc1ccccn1)C(=O)[C@@H](C)C1C[NH2+]C1 ZINC000164289394 327968317 /nfs/dbraw/zinc/96/83/17/327968317.db2.gz MVOSSGLCYDDEBI-LBPRGKRZSA-N 1 0 277.368 0.912 10 0 CCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N2CCCc3n[nH]cc3C2)C1 ZINC000404593519 545091577 /nfs/dbraw/zinc/09/15/77/545091577.db2.gz NOGSYVAJSOHELC-ZYHUDNBSSA-N 1 0 264.329 0.061 10 0 CCAERO CCN1C[C@H](NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1=O ZINC000391591252 328979390 /nfs/dbraw/zinc/97/93/90/328979390.db2.gz ANORRRQHQSLGAO-HBNTYKKESA-N 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/nfs/dbraw/zinc/07/07/72/336070772.db2.gz FEARTJGKBMHBFJ-PHDIDXHHSA-N 1 0 275.150 0.690 10 0 CCAERO Cc1nnsc1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000383726572 336116962 /nfs/dbraw/zinc/11/69/62/336116962.db2.gz WEIUCKOTAYCNOY-DJLDLDEBSA-N 1 0 252.343 0.656 10 0 CCAERO Cc1nnsc1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000383726580 336117033 /nfs/dbraw/zinc/11/70/33/336117033.db2.gz WEIUCKOTAYCNOY-XHNCKOQMSA-N 1 0 252.343 0.656 10 0 CCAERO CC(C)NC(=O)CN(C)C(=O)[C@@H]1CCC[C@H](C[NH3+])C1 ZINC000055161605 519704862 /nfs/dbraw/zinc/70/48/62/519704862.db2.gz XZQZRXWMSJWYSI-NWDGAFQWSA-N 1 0 269.389 0.735 10 0 CCAERO C[NH2+]Cc1ccc(CN2CCS(=O)CC2)cc1 ZINC000052516428 522115932 /nfs/dbraw/zinc/11/59/32/522115932.db2.gz SMESFNGLLILYOG-UHFFFAOYSA-N 1 0 252.383 0.970 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000423874895 534103155 /nfs/dbraw/zinc/10/31/55/534103155.db2.gz RIKVCPBRGSYISB-CYDGBPFRSA-N 1 0 254.374 0.994 10 0 CCAERO COC(=O)[C@H]1CCCN1C(=O)C1CCC([NH3+])CC1 ZINC000037804293 518013134 /nfs/dbraw/zinc/01/31/34/518013134.db2.gz ZLIHMJUDEZSWNN-VQXHTEKXSA-N 1 0 254.330 0.668 10 0 CCAERO CC(C)C[C@H](C[NH+](C)C)n1c(N)cc(=O)[nH]c1=O ZINC000049557985 519345464 /nfs/dbraw/zinc/34/54/64/519345464.db2.gz ZGOKRJPQCLRURV-SECBINFHSA-N 1 0 254.334 0.268 10 0 CCAERO CC(C)C[NH+]1CCN(C[C@]2(CO)CCOC2)CC1 ZINC000055082275 519726671 /nfs/dbraw/zinc/72/66/71/519726671.db2.gz VHXDTDXQCPXVNO-AWEZNQCLSA-N 1 0 256.390 0.659 10 0 CCAERO CC(C)[NH2+][C@@H](CCOc1cccc(CO)c1)C(N)=O ZINC000062542167 519734616 /nfs/dbraw/zinc/73/46/16/519734616.db2.gz GLRHVNKCRYNVDI-ZDUSSCGKSA-N 1 0 266.341 0.800 10 0 CCAERO CC(C)[NH2+][C@H](CSc1nnc2ccccn21)C(N)=O ZINC000061408275 519738894 /nfs/dbraw/zinc/73/88/94/519738894.db2.gz OOWYFYZBGFSPOG-SECBINFHSA-N 1 0 279.369 0.673 10 0 CCAERO CCCNC(=O)CCNC(=O)[C@@H]1CCC[C@H](C)[C@@H]1[NH3+] ZINC000055141229 519871719 /nfs/dbraw/zinc/87/17/19/519871719.db2.gz ALWSSWHDKVVWAI-LOWVWBTDSA-N 1 0 269.389 0.782 10 0 CCAERO CCCNC(=O)[C@H](C)NC[C@H](O)C[NH+](CC)CC ZINC000049203335 519892422 /nfs/dbraw/zinc/89/24/22/519892422.db2.gz UVBMOFLNOLXJPU-RYUDHWBXSA-N 1 0 259.394 0.193 10 0 CCAERO CCC[NH2+][C@@H](CCN1CC[NH+](CC)CC1)C(=O)[O-] ZINC000062439728 520002749 /nfs/dbraw/zinc/00/27/49/520002749.db2.gz LLRYOWLMRNUIMC-LBPRGKRZSA-N 1 0 257.378 0.467 10 0 CCAERO CC[NH2+][C@@H](C)CC(=O)N(CCOC)[C@@H](C)COC ZINC000061274273 520062160 /nfs/dbraw/zinc/06/21/60/520062160.db2.gz PGBNGKJKIAORTH-RYUDHWBXSA-N 1 0 260.378 0.884 10 0 CCAERO CCCCCCN(CCO)C(=O)[C@H]([NH3+])CCOC ZINC000052808972 520075701 /nfs/dbraw/zinc/07/57/01/520075701.db2.gz TWLBPSZNONGXQZ-GFCCVEGCSA-N 1 0 260.378 0.751 10 0 CCAERO CCN(CC(=O)NC(C)C)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000055088914 520325745 /nfs/dbraw/zinc/32/57/45/520325745.db2.gz VWGOJGNCVVTXIB-NWDGAFQWSA-N 1 0 269.389 0.877 10 0 CCAERO CCCOc1ccc([C@H](C(N)=O)N2CC[NH2+]CC2)cc1 ZINC000052920227 520424225 /nfs/dbraw/zinc/42/42/25/520424225.db2.gz DRQVNJJJFQPVHB-CQSZACIVSA-N 1 0 277.368 0.907 10 0 CCAERO CCOc1ccc(-n2nnnc2C[NH3+])cc1OCC ZINC000054744717 520840419 /nfs/dbraw/zinc/84/04/19/520840419.db2.gz XXENULLDVLTLPH-UHFFFAOYSA-N 1 0 263.301 0.918 10 0 CCAERO CCS(=O)(=O)CC[NH2+][C@H](CC(C)C)CN(C)C ZINC000049555730 521644085 /nfs/dbraw/zinc/64/40/85/521644085.db2.gz RGGQTAYRGODXCK-GFCCVEGCSA-N 1 0 264.435 0.987 10 0 CCAERO CCNC(=O)CNC(=O)[C@H]1CCC[C@H](CC[NH3+])C1 ZINC000055146453 521738084 /nfs/dbraw/zinc/73/80/84/521738084.db2.gz PRRSOVZLAVJQNP-MNOVXSKESA-N 1 0 255.362 0.394 10 0 CCAERO C[NH2+]C(C)(C)C(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000061318566 521940535 /nfs/dbraw/zinc/94/05/35/521940535.db2.gz KCOOPYONMXEZAQ-UHFFFAOYSA-N 1 0 260.301 0.599 10 0 CCAERO CNS(=O)(=O)c1ccccc1N1CC[NH2+][C@H](C)C1 ZINC000052783398 522310303 /nfs/dbraw/zinc/31/03/03/522310303.db2.gz WSAXUUCFOWKIJY-SNVBAGLBSA-N 1 0 269.370 0.393 10 0 CCAERO COC[C@@H]([NH3+])C(=O)N1CCC(Cc2nccn2C)CC1 ZINC000262280658 522312921 /nfs/dbraw/zinc/31/29/21/522312921.db2.gz LTMIHLZUSHZKDA-GFCCVEGCSA-N 1 0 280.372 0.175 10 0 CCAERO C[NH2+][C@@](C)(CCSc1ncnc2[nH]cnc21)C(N)=O ZINC000051037426 522413749 /nfs/dbraw/zinc/41/37/49/522413749.db2.gz DPGYRVAFWHFIQS-NSHDSACASA-N 1 0 280.357 0.299 10 0 CCAERO CN(Cc1cccnc1)S(=O)(=O)C[C@H]1CCC[NH2+]1 ZINC000049643642 523416670 /nfs/dbraw/zinc/41/66/70/523416670.db2.gz MFGKFPRYYOZPQU-GFCCVEGCSA-N 1 0 269.370 0.595 10 0 CCAERO COCCN(CCOC)C(=O)[C@H]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000055128406 523713415 /nfs/dbraw/zinc/71/34/15/523713415.db2.gz JWJYLXOUEWYLCJ-AGIUHOORSA-N 1 0 272.389 0.871 10 0 CCAERO CN(C(=O)CN[C@@H]1CC[N@@H+]2CCCC[C@H]12)C1CC1 ZINC000049564866 523826131 /nfs/dbraw/zinc/82/61/31/523826131.db2.gz HUOJIKYUJCWUHY-CHWSQXEVSA-N 1 0 251.374 0.824 10 0 CCAERO COC(=O)[C@H](NC[C@@H](O)C[NH+](C)C)c1ccccc1 ZINC000050511823 523925988 /nfs/dbraw/zinc/92/59/88/523925988.db2.gz PCFSZFYJBHFOPY-CHWSQXEVSA-N 1 0 266.341 0.413 10 0 CCAERO C[N@@H+]1CC[C@@H](CNC(=O)c2nc(N)ccc2Cl)C1 ZINC000050704323 523960477 /nfs/dbraw/zinc/96/04/77/523960477.db2.gz VNWVUHNGLAVTIT-QMMMGPOBSA-N 1 0 268.748 0.999 10 0 CCAERO CNC(=O)C[NH+]1CCC(CN(C)c2cnccn2)CC1 ZINC000150933799 524071739 /nfs/dbraw/zinc/07/17/39/524071739.db2.gz JXZONKFWCDYUFX-UHFFFAOYSA-N 1 0 277.372 0.371 10 0 CCAERO C[C@H](C[NH+]1CCCCC1)NC(=O)Cn1ccc(N)n1 ZINC000050468338 524328166 /nfs/dbraw/zinc/32/81/66/524328166.db2.gz MCWFRKZKJDBPAR-LLVKDONJSA-N 1 0 265.361 0.456 10 0 CCAERO Cc1ccc(C[NH3+])cc1NC(=O)[C@H]1COCCO1 ZINC000055297259 524424493 /nfs/dbraw/zinc/42/44/93/524424493.db2.gz JOLGPAFRSFVTBO-GFCCVEGCSA-N 1 0 250.298 0.808 10 0 CCAERO C[C@@H](CC[NH+](C)C)N[C@@H](C)C(=O)N1CCOCC1 ZINC000049557531 524476403 /nfs/dbraw/zinc/47/64/03/524476403.db2.gz QWAFFTSKRRSLBR-RYUDHWBXSA-N 1 0 257.378 0.164 10 0 CCAERO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1cnc(Cl)nc1 ZINC000049559296 524476609 /nfs/dbraw/zinc/47/66/09/524476609.db2.gz YEJAZGULFJKUPF-QMMMGPOBSA-N 1 0 292.792 0.749 10 0 CCAERO C[C@H](Cc1ccco1)NS(=O)(=O)C[C@H]1CCC[NH2+]1 ZINC000049645528 524747737 /nfs/dbraw/zinc/74/77/37/524747737.db2.gz JXYCDKBNYVQFMR-GHMZBOCLSA-N 1 0 272.370 0.882 10 0 CCAERO Cc1ccc(NC(=O)[C@H](C)C2C[NH2+]C2)cc1S(N)(=O)=O ZINC000164383234 525209601 /nfs/dbraw/zinc/20/96/01/525209601.db2.gz LZUWPRCLXILXQX-SECBINFHSA-N 1 0 297.380 0.436 10 0 CCAERO C[C@H]([NH2+]CCOCCO)C(=O)Nc1ccccc1 ZINC000055422389 525358833 /nfs/dbraw/zinc/35/88/33/525358833.db2.gz XXFNGKPFYHULOG-NSHDSACASA-N 1 0 252.314 0.612 10 0 CCAERO Cc1ccc([C@H](C)[NH2+][C@H]2CS(=O)(=O)C[C@@H]2O)cc1 ZINC000049556745 525945585 /nfs/dbraw/zinc/94/55/85/525945585.db2.gz PTZWVFKWHQIBSZ-DRZSPHRISA-N 1 0 269.366 0.804 10 0 CCAERO O[C@H](C[NH2+][C@@H]1CCN2CCC[C@H]12)Cn1cccn1 ZINC000049567272 526280452 /nfs/dbraw/zinc/28/04/52/526280452.db2.gz RYZWQMAKPRHWAH-JHJVBQTASA-N 1 0 250.346 0.070 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccccc1Cl ZINC000262317801 526623918 /nfs/dbraw/zinc/62/39/18/526623918.db2.gz QZYUQNASTSBDTO-KCJUWKMLSA-N 1 0 254.717 0.650 10 0 CCAERO NC(=O)[C@@H]([NH3+])CCSc1nc2ccccc2[nH]1 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ZINC000049539374 527267046 /nfs/dbraw/zinc/26/70/46/527267046.db2.gz WVJUIDNUIDNSOY-VIFPVBQESA-N 1 0 268.386 0.361 10 0 CCAERO O=S1(=O)CCN(C[C@H]2CC[C@@H](C[NH2+]C3CC3)O2)CC1 ZINC000052480379 527308036 /nfs/dbraw/zinc/30/80/36/527308036.db2.gz PIQUUUXMCAZFIS-QWHCGFSZSA-N 1 0 288.413 0.016 10 0 CCAERO Cc1nn(C)c(C)c1S(=O)(=O)N(C)[C@H](C)CC[NH3+] ZINC000063086113 527654036 /nfs/dbraw/zinc/65/40/36/527654036.db2.gz JDZXMOGUAOYFRQ-MRVPVSSYSA-N 1 0 274.390 0.395 10 0 CCAERO CC(C)N1CC[C@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1=O ZINC000367392160 529081751 /nfs/dbraw/zinc/08/17/51/529081751.db2.gz MOZMBELRRCRNAN-UTUOFQBUSA-N 1 0 267.373 0.500 10 0 CCAERO Cn1ncc(Br)c1C1=C[C@@H]([NH3+])CNC1 ZINC000675078184 545321195 /nfs/dbraw/zinc/32/11/95/545321195.db2.gz NDHNFARUBAFHFG-SSDOTTSWSA-N 1 0 257.135 0.497 10 0 CCAERO Cn1ncc(Br)c1CC1=C[C@@H](N)C[NH2+]C1 ZINC000675079370 545321203 /nfs/dbraw/zinc/32/12/03/545321203.db2.gz YDUBMSLRLOXDQC-MRVPVSSYSA-N 1 0 271.162 0.582 10 0 CCAERO 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290.722 0.602 10 0 CCAERO COc1ccccc1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262328996 536997536 /nfs/dbraw/zinc/99/75/36/536997536.db2.gz SCBOGXBQFAMMHN-MWLCHTKSSA-N 1 0 250.298 0.005 10 0 CCAERO COCc1nc(C[NH2+]C[C@]2(O)CCO[C@@H]2C)cs1 ZINC000683933000 545587842 /nfs/dbraw/zinc/58/78/42/545587842.db2.gz QEPRPCHZTSVUBS-BXKDBHETSA-N 1 0 272.370 0.919 10 0 CCAERO COC(=O)[C@H](C[NH3+])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000212011082 570346611 /nfs/dbraw/zinc/34/66/11/570346611.db2.gz FQBFHFXHCKWYJT-VHSXEESVSA-N 1 0 272.345 0.991 10 0 CCAERO C[C@H]([NH2+]C1CCN(CCO)CC1)c1cnn(C)c1 ZINC000399279838 581208951 /nfs/dbraw/zinc/20/89/51/581208951.db2.gz XAZPTRCWZGRYCV-NSHDSACASA-N 1 0 252.362 0.527 10 0 CCAERO O=C(C[C@@H]1CSCC[NH2+]1)NCC[C@@H]1CCCO1 ZINC000091137203 581570159 /nfs/dbraw/zinc/57/01/59/581570159.db2.gz UOTJQSJGIIMDDT-MNOVXSKESA-N 1 0 258.387 0.767 10 0 CCAERO FC1(F)CCC2(CC1)[NH2+]C[C@@]1(COCCN1)CO2 ZINC000757139768 581679387 /nfs/dbraw/zinc/67/93/87/581679387.db2.gz 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C[NH2+]C[C@@H]1CCN(C(=O)[C@H](NC(=O)OC)C(C)C)C1 ZINC000178967371 631928555 /nfs/dbraw/zinc/92/85/55/631928555.db2.gz POBFBTCGYNSLQG-WDEREUQCSA-N 1 0 271.361 0.435 10 0 CCAERO O=C(c1cccn2nnnc12)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000895917216 632175492 /nfs/dbraw/zinc/17/54/92/632175492.db2.gz PACIIDYGZSIROH-SNVBAGLBSA-N 1 0 272.312 0.045 10 0 CCAERO O=C([C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC[C@H]1c1nc[nH]n1 ZINC000899107553 633734191 /nfs/dbraw/zinc/73/41/91/633734191.db2.gz OCYCKXQRZTVGLC-WOPDTQHZSA-N 1 0 291.355 0.331 10 0 CCAERO [NH3+]C[C@H](C(=O)NC[C@@H](O)C(F)(F)F)c1ccccc1 ZINC000226320596 636977089 /nfs/dbraw/zinc/97/70/89/636977089.db2.gz GYTDEXHAIYGEQH-VHSXEESVSA-N 1 0 276.258 0.768 10 0 CCAERO COC(=O)[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1C ZINC000228304114 637054955 /nfs/dbraw/zinc/05/49/55/637054955.db2.gz ABSBLSNFTXYTLO-GARJFASQSA-N 1 0 254.330 0.206 10 0 CCAERO C[NH2+][C@H](CCn1nc(C)c(Br)c1C)C(N)=O ZINC000062538464 637173279 /nfs/dbraw/zinc/17/32/79/637173279.db2.gz URYOSGDAQVHJQE-MRVPVSSYSA-N 1 0 289.177 0.726 10 0 CCAERO O=C(NC[C@@H](O)C(F)(F)F)[C@@H]1CC12CC[NH2+]CC2 ZINC000231327304 637211379 /nfs/dbraw/zinc/21/13/79/637211379.db2.gz NZCVEWCRFLXZOS-JGVFFNPUSA-N 1 0 266.263 0.416 10 0 CCAERO Cc1cnc([C@@H](C)NS(=O)(=O)[C@@H]2CCC[NH2+]C2)o1 ZINC000231749484 637227586 /nfs/dbraw/zinc/22/75/86/637227586.db2.gz AAINTJOUGGNNSD-NXEZZACHSA-N 1 0 273.358 0.715 10 0 CCAERO [NH3+]C1CC(CNC(=O)CCOCC(F)(F)F)C1 ZINC000232351243 637254572 /nfs/dbraw/zinc/25/45/72/637254572.db2.gz ONWQIKSYYHUJKP-UHFFFAOYSA-N 1 0 254.252 0.809 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CN1C(=O)CC(C)(C)C1=O ZINC000153233183 637688940 /nfs/dbraw/zinc/68/89/40/637688940.db2.gz HRXDEEUSGJIPFT-VXGBXAGGSA-N 1 0 279.384 0.898 10 0 CCAERO NC(=O)[C@@H](O)C[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000228690659 639844493 /nfs/dbraw/zinc/84/44/93/639844493.db2.gz QINMORFRCYIKEV-UWVGGRQHSA-N 1 0 292.257 0.175 10 0 CCAERO Cc1cnn(C[C@H]2C[N@H+](CCC3OCCO3)CCO2)c1 ZINC000124204595 646314750 /nfs/dbraw/zinc/31/47/50/646314750.db2.gz MCPOBVGPYLQQJG-CYBMUJFWSA-N 1 0 281.356 0.655 10 0 CCAERO O[C@H]1C[NH2+][C@@H](c2nc(-c3ccc(F)cn3)no2)C1 ZINC000131820412 647527090 /nfs/dbraw/zinc/52/70/90/647527090.db2.gz CHHOHHBNOTYOSL-VXNVDRBHSA-N 1 0 250.233 0.666 10 0 CCAERO O=S(=O)(N[C@H]1CCCc2ccccc21)N1CC[NH2+]CC1 ZINC000040860359 649282645 /nfs/dbraw/zinc/28/26/45/649282645.db2.gz VDEVTFPFMUBGMC-AWEZNQCLSA-N 1 0 295.408 0.804 10 0 CCAERO C[NH+](C)[C@H]1CCN(CN2C(=O)N[C@@](C)(C(C)(C)C)C2=O)C1 ZINC000193308391 649533539 /nfs/dbraw/zinc/53/35/39/649533539.db2.gz YEFHWHZIPAOICU-XHDPSFHLSA-N 1 0 296.415 0.936 10 0 CCAERO COC[C@]1(C)CC(=O)N(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)C1 ZINC000245422166 649641899 /nfs/dbraw/zinc/64/18/99/649641899.db2.gz PDPRHWCTJOCWJH-IIAWOOMASA-N 1 0 295.427 0.997 10 0 CCAERO CCNC(=O)N1CCN(C(=O)[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000089391002 649656111 /nfs/dbraw/zinc/65/61/11/649656111.db2.gz SVUWKFZDKOVMAL-OLZOCXBDSA-N 1 0 296.415 0.625 10 0 CCAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](N2C(=O)[C@H](C)NC2=S)C1 ZINC000246258669 649666930 /nfs/dbraw/zinc/66/69/30/649666930.db2.gz QKFDJZMDAXSTOJ-KXUCPTDWSA-N 1 0 255.387 0.820 10 0 CCAERO COCCn1cnn(CN2CC[N@@H+]3CCC[C@H]3C2)c1=S ZINC000247171063 649704106 /nfs/dbraw/zinc/70/41/06/649704106.db2.gz UCJVQALFGGNVSS-LBPRGKRZSA-N 1 0 297.428 0.798 10 0 CCAERO [NH3+]CCCCc1nc([C@@H]2CN3CCC[C@H]3CO2)no1 ZINC000091686581 649709270 /nfs/dbraw/zinc/70/92/70/649709270.db2.gz OIXMQLMSMQJFRU-QWRGUYRKSA-N 1 0 266.345 0.887 10 0 CCAERO CCCCOC(=O)CN1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000247399376 649710371 /nfs/dbraw/zinc/71/03/71/649710371.db2.gz YGKFJPJPXYMSOQ-QWHCGFSZSA-N 1 0 272.389 0.717 10 0 CCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCCc2ccnn2C)C1 ZINC000248897641 649739078 /nfs/dbraw/zinc/73/90/78/649739078.db2.gz VMTRNQOXXQCOTD-GXTWGEPZSA-N 1 0 293.415 0.991 10 0 CCAERO COC(=O)[C@H]1C[N@H+](CCC(=O)NC(C)C)C[C@@H]1C ZINC000094996741 649750728 /nfs/dbraw/zinc/75/07/28/649750728.db2.gz OKRQWCSIOLINJT-QWRGUYRKSA-N 1 0 256.346 0.642 10 0 CCAERO COC[C@]1(C(=O)[O-])CCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000692379135 976440872 /nfs/dbraw/zinc/44/08/72/976440872.db2.gz PWGUQIQXSVFWIC-AWEZNQCLSA-N 1 0 270.373 0.894 10 0 CCAERO COC[C@@](C)([NH2+]CCC[NH+]1CCCCC1)C(=O)[O-] ZINC000695297567 976790431 /nfs/dbraw/zinc/79/04/31/976790431.db2.gz SIAWCSRANJOVRJ-CYBMUJFWSA-N 1 0 258.362 0.942 10 0 CCAERO CC[C@@](COC)([NH2+]CC[C@@H]1CCC[N@@H+]1C)C(=O)[O-] ZINC000707957164 977407181 /nfs/dbraw/zinc/40/71/81/977407181.db2.gz MOIIZFAILWTMCA-AAEUAGOBSA-N 1 0 258.362 0.940 10 0 CCAERO C[C@@H]1C[NH2+]CCN1C(=O)c1cccc(C[S@](C)=O)c1 ZINC000124403023 187136269 /nfs/dbraw/zinc/13/62/69/187136269.db2.gz BIWWBFPKUJFEIF-NSPYISDASA-N 1 0 280.393 0.999 10 0 CCAERO C[NH2+]Cc1sc(N2CCN(C)CC2)nc1COC ZINC000082447256 178026868 /nfs/dbraw/zinc/02/68/68/178026868.db2.gz VFGXCTSMSLRNGR-UHFFFAOYSA-N 1 0 270.402 0.761 10 0 CCAERO COc1ccc([C@H](C(N)=O)N2CC[NH2+]CC2)cc1F ZINC000082573712 178112916 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286.372 0.507 10 0 CCAERO C[C@H](CNC(=O)N[C@@H]1CCO[C@@H]1C)CN1CCOCC1 ZINC000131835912 350288644 /nfs/dbraw/zinc/28/86/44/350288644.db2.gz XGWGEBBUCJZZTA-JHJVBQTASA-N 1 0 285.388 0.431 10 0 CCAERO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](C[C@@H]2CCCO2)C1 ZINC000134319993 350360839 /nfs/dbraw/zinc/36/08/39/350360839.db2.gz SRRSPHZAGUCDEB-RYUDHWBXSA-N 1 0 276.402 0.568 10 0 CCAERO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000134324505 350360881 /nfs/dbraw/zinc/36/08/81/350360881.db2.gz GUKQEYZANXRWDY-STQMWFEESA-N 1 0 290.429 0.958 10 0 CCAERO CCN1CCO[C@H](C[NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC000134436879 350364638 /nfs/dbraw/zinc/36/46/38/350364638.db2.gz BFAKXLSLZDWBDG-CQSZACIVSA-N 1 0 277.368 0.596 10 0 CCAERO CN(Cc1nccn1C)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000133281025 350330940 /nfs/dbraw/zinc/33/09/40/350330940.db2.gz BIPPCTOJJCKGRP-ZDUSSCGKSA-N 1 0 250.346 0.911 10 0 CCAERO COCCCC[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135689163 350406037 /nfs/dbraw/zinc/40/60/37/350406037.db2.gz ZNXRFVBKIYNMAX-ZDUSSCGKSA-N 1 0 290.429 0.913 10 0 CCAERO O=S(=O)([C@@H]1CC[N@@H+](CCCF)C1)N1CCCC1 ZINC000135683321 350406574 /nfs/dbraw/zinc/40/65/74/350406574.db2.gz JMCNJPCYDDHQST-LLVKDONJSA-N 1 0 264.366 0.846 10 0 CCAERO CC1CC[NH+](CC(=O)NC[C@@H]2CN(C)CCO2)CC1 ZINC000135441743 350396843 /nfs/dbraw/zinc/39/68/43/350396843.db2.gz USHGLKRCOSBMNR-CYBMUJFWSA-N 1 0 269.389 0.165 10 0 CCAERO COCCCNC(=O)CN(C)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000136148976 350416586 /nfs/dbraw/zinc/41/65/86/350416586.db2.gz ZXZLZHYNYCJAEV-CQSZACIVSA-N 1 0 285.388 0.130 10 0 CCAERO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCn1cc(C)cn1 ZINC000105881232 186083543 /nfs/dbraw/zinc/08/35/43/186083543.db2.gz XHZUWMKUGWZENL-JTQLQIEISA-N 1 0 267.333 0.015 10 0 CCAERO CC[C@@H]1CN(CCn2cccn2)CC[N@@H+]1C[C@@H](C)O ZINC000105827686 186074397 /nfs/dbraw/zinc/07/43/97/186074397.db2.gz HZORGQYKQCAEDM-ZIAGYGMSSA-N 1 0 266.389 0.660 10 0 CCAERO CCNC(=O)CCN1CC[N@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000105827032 186074852 /nfs/dbraw/zinc/07/48/52/186074852.db2.gz TVLISGAGHMDVGS-OLZOCXBDSA-N 1 0 271.405 0.290 10 0 CCAERO CCNC(=O)CN1CC[N@H+](CCOCC)[C@H](CC)C1 ZINC000105915084 186088583 /nfs/dbraw/zinc/08/85/83/186088583.db2.gz PXAWHKYGYPXRMV-CYBMUJFWSA-N 1 0 271.405 0.555 10 0 CCAERO CNC(=O)C[N@@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000105919937 186089889 /nfs/dbraw/zinc/08/98/89/186089889.db2.gz RTYOZSQCXGVIOZ-GFCCVEGCSA-N 1 0 265.361 0.353 10 0 CCAERO CCCCCCNC(=O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000105927596 186092595 /nfs/dbraw/zinc/09/25/95/186092595.db2.gz BXAWXZSPJMPLJL-CQSZACIVSA-N 1 0 285.432 0.945 10 0 CCAERO COC(=O)CCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106429800 186116598 /nfs/dbraw/zinc/11/65/98/186116598.db2.gz QUALMKZRYISFDE-ZDUSSCGKSA-N 1 0 278.352 0.839 10 0 CCAERO CC[C@H](O)C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000106386363 186113705 /nfs/dbraw/zinc/11/37/05/186113705.db2.gz VXQKATLYKXVMKF-LBPRGKRZSA-N 1 0 250.346 0.760 10 0 CCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCC(=O)NC1 ZINC000106870829 186143913 /nfs/dbraw/zinc/14/39/13/186143913.db2.gz BDXRIFXASZPLLE-VXGBXAGGSA-N 1 0 269.389 0.605 10 0 CCAERO COC[C@H](C)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000106815971 186136204 /nfs/dbraw/zinc/13/62/04/186136204.db2.gz LELXIBKCMRHNOX-RYUDHWBXSA-N 1 0 257.378 0.021 10 0 CCAERO CCC(=O)N1CC[C@H](NC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000151700553 350507660 /nfs/dbraw/zinc/50/76/60/350507660.db2.gz LMWBEYLXFIITOX-RYUDHWBXSA-N 1 0 282.388 0.343 10 0 CCAERO CC[C@H](C(=O)N1CCN(CCOC)[C@@H](CC)C1)[NH+](C)C ZINC000152487298 350530968 /nfs/dbraw/zinc/53/09/68/350530968.db2.gz IVOQRFVKGZWTSK-UONOGXRCSA-N 1 0 285.432 0.896 10 0 CCAERO CCc1nc2n(n1)C[C@H](NC(=O)C[N@@H+](CC)C1CC1)CC2 ZINC000152665506 350537152 /nfs/dbraw/zinc/53/71/52/350537152.db2.gz SJYNJUGISKEUSP-LLVKDONJSA-N 1 0 291.399 0.756 10 0 CCAERO CC(C)c1noc(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000153149777 350554639 /nfs/dbraw/zinc/55/46/39/350554639.db2.gz GGMVJOUUDWBESV-VHSXEESVSA-N 1 0 252.318 0.712 10 0 CCAERO NC(=O)[C@@H]([NH3+])Cc1cccc(F)c1Br ZINC000156833335 350635409 /nfs/dbraw/zinc/63/54/09/350635409.db2.gz KODBMSPKFBDIFB-ZETCQYMHSA-N 1 0 261.094 0.943 10 0 CCAERO COC[C@@H]([NH3+])C(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000159239719 350673388 /nfs/dbraw/zinc/67/33/88/350673388.db2.gz AHYPZGUPUFBKOV-LLVKDONJSA-N 1 0 279.296 0.555 10 0 CCAERO C[S@](=O)CCC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000163309921 350763732 /nfs/dbraw/zinc/76/37/32/350763732.db2.gz HSISJEGSRVJFBO-KZULUSFZSA-N 1 0 272.414 0.699 10 0 CCAERO COC(=O)CCCNC(=O)[C@H]1CCc2nc(C)[nH]c2C1 ZINC000163420779 350765811 /nfs/dbraw/zinc/76/58/11/350765811.db2.gz ZEHFIGXVTGGNJM-JTQLQIEISA-N 1 0 279.340 0.892 10 0 CCAERO O=C(c1ccccc1-n1cnnn1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000170856239 350867907 /nfs/dbraw/zinc/86/79/07/350867907.db2.gz ONQOVVUAGFBGPK-GFCCVEGCSA-N 1 0 298.350 0.583 10 0 CCAERO O=C(C1CCOCC1)N1C[C@@H](CO)C2(C1)CC[NH2+]CC2 ZINC000169782145 350839069 /nfs/dbraw/zinc/83/90/69/350839069.db2.gz HOBYAHNYBDDEAI-ZDUSSCGKSA-N 1 0 282.384 0.234 10 0 CCAERO CSCC(=O)N1C[C@H](CO)C2(C1)CC[NH2+]CC2 ZINC000169789444 350839786 /nfs/dbraw/zinc/83/97/86/350839786.db2.gz KHYMTXKYDQILMX-SNVBAGLBSA-N 1 0 258.387 0.170 10 0 CCAERO COCCC(=O)N1C[C@H](COC)C2(C1)CC[NH2+]CC2 ZINC000169789778 350840213 /nfs/dbraw/zinc/84/02/13/350840213.db2.gz FVKLLZTWJVRKQT-GFCCVEGCSA-N 1 0 270.373 0.498 10 0 CCAERO O=C(c1ccncc1)N1C[C@@H](CO)C2(C1)CC[NH2+]CC2 ZINC000169789447 350840848 /nfs/dbraw/zinc/84/08/48/350840848.db2.gz CUPKATCTKFTHBG-ZDUSSCGKSA-N 1 0 275.352 0.516 10 0 CCAERO CC(C)N(CC(N)=O)C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111243883 186375379 /nfs/dbraw/zinc/37/53/79/186375379.db2.gz LBUQJJFLHMRMHZ-SNVBAGLBSA-N 1 0 281.278 0.251 10 0 CCAERO CS(=O)(=O)CCCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171716538 350931056 /nfs/dbraw/zinc/93/10/56/350931056.db2.gz LJDQTQZLYWURPX-LLVKDONJSA-N 1 0 274.386 0.118 10 0 CCAERO COCC[N@H+](C)CCNC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000171197910 350893179 /nfs/dbraw/zinc/89/31/79/350893179.db2.gz ICACEROTMOFXHV-NEPJUHHUSA-N 1 0 273.377 0.431 10 0 CCAERO CC[C@@H]1CN(C(=O)NC[C@@H]2CCCO2)CC[N@@H+]1CCOC ZINC000172320759 350976694 /nfs/dbraw/zinc/97/66/94/350976694.db2.gz MZSNXHHBEAWBKF-KGLIPLIRSA-N 1 0 299.415 0.918 10 0 CCAERO CC[C@H]1CN(C(=O)NC[C@@H]2CCCO2)CC[N@@H+]1CCOC ZINC000172320765 350976777 /nfs/dbraw/zinc/97/67/77/350976777.db2.gz MZSNXHHBEAWBKF-KBPBESRZSA-N 1 0 299.415 0.918 10 0 CCAERO CCNC(=O)NC(=O)[C@H](C)N1CCC[N@@H+](C2CC2)CC1 ZINC000172347648 350978430 /nfs/dbraw/zinc/97/84/30/350978430.db2.gz DKZXNKBRZLQURX-NSHDSACASA-N 1 0 282.388 0.391 10 0 CCAERO CC[C@H](O)C[NH+]1CCN(C[C@H](O)Cc2ccccc2)CC1 ZINC000173456963 351040056 /nfs/dbraw/zinc/04/00/56/351040056.db2.gz USANETDXKKZVRL-DLBZAZTESA-N 1 0 292.423 0.979 10 0 CCAERO C[C@H]1C[NH+](C(C)(C)CNC(=O)CC(=O)N(C)C)C[C@H](C)O1 ZINC000173761717 351054354 /nfs/dbraw/zinc/05/43/54/351054354.db2.gz JATBNHYYZZMXAX-RYUDHWBXSA-N 1 0 299.415 0.469 10 0 CCAERO CC(C)[N@H+](C)CC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000173969184 351064261 /nfs/dbraw/zinc/06/42/61/351064261.db2.gz AJWMZQDZBVWRNO-UONOGXRCSA-N 1 0 283.416 0.506 10 0 CCAERO CNC(=O)NC(=O)[C@H](C)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172805530 351011570 /nfs/dbraw/zinc/01/15/70/351011570.db2.gz IVUGUAPCXAZWMN-WDEREUQCSA-N 1 0 268.361 0.001 10 0 CCAERO C[C@@H](C(=O)Nc1ncccn1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172805160 351011715 /nfs/dbraw/zinc/01/17/15/351011715.db2.gz CPFUQKRZLFQTND-QWHCGFSZSA-N 1 0 289.383 0.974 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)NC[C@@H]1CCCO1 ZINC000175345037 351126096 /nfs/dbraw/zinc/12/60/96/351126096.db2.gz BQEYWLJEJDHCTE-KBPBESRZSA-N 1 0 283.416 0.698 10 0 CCAERO C[NH+](C)C[C@@H]1CN(C(=O)[C@H](O)c2ccccc2)CCO1 ZINC000174923620 351111082 /nfs/dbraw/zinc/11/10/82/351111082.db2.gz AORKREFVYYANTO-ZIAGYGMSSA-N 1 0 278.352 0.509 10 0 CCAERO CC(C)N1CC[C@@H]([N@@H+]2CCC[C@H](n3cncn3)C2)C1=O ZINC000175202886 351122517 /nfs/dbraw/zinc/12/25/17/351122517.db2.gz JIEPIIJADPWVTK-QWHCGFSZSA-N 1 0 277.372 0.924 10 0 CCAERO COC[C@H](C)C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000176437181 351174658 /nfs/dbraw/zinc/17/46/58/351174658.db2.gz YFVFHAJAMNPLPW-STQMWFEESA-N 1 0 286.416 0.820 10 0 CCAERO CCCOCC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000176451548 351175461 /nfs/dbraw/zinc/17/54/61/351175461.db2.gz OZTAEHYNBREXSV-ZDUSSCGKSA-N 1 0 286.416 0.964 10 0 CCAERO NC(=O)c1c[nH]c(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000176520311 351176956 /nfs/dbraw/zinc/17/69/56/351176956.db2.gz ZDDUOKDLXKOJCU-JTQLQIEISA-N 1 0 262.313 0.034 10 0 CCAERO COCCOCCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000176507912 351177392 /nfs/dbraw/zinc/17/73/92/351177392.db2.gz ZGRYOWFCOVRXOP-OLZOCXBDSA-N 1 0 287.404 0.677 10 0 CCAERO COCCCC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000176893492 351188065 /nfs/dbraw/zinc/18/80/65/351188065.db2.gz XUBGKIGKBSYYNN-CYBMUJFWSA-N 1 0 286.416 0.964 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)CCCOC ZINC000175392681 351128278 /nfs/dbraw/zinc/12/82/78/351128278.db2.gz HHSWNFPYXGPFBG-GFCCVEGCSA-N 1 0 278.418 0.769 10 0 CCAERO CNC(=O)[C@H](NC(=O)NC[C@@H](C)[N@H+](C)C1CC1)C(C)C ZINC000178421406 351230695 /nfs/dbraw/zinc/23/06/95/351230695.db2.gz FGTNHFPVUDEOMD-ZYHUDNBSSA-N 1 0 284.404 0.539 10 0 CCAERO CCOCCC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000177448277 351203581 /nfs/dbraw/zinc/20/35/81/351203581.db2.gz XJKGSTFRXUKDAT-ZDUSSCGKSA-N 1 0 286.416 0.964 10 0 CCAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CN(C)CCO2)C1 ZINC000177872399 351215109 /nfs/dbraw/zinc/21/51/09/351215109.db2.gz CZECSVFNDOSCCS-UONOGXRCSA-N 1 0 298.431 0.300 10 0 CCAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCOCCO ZINC000178331258 351228323 /nfs/dbraw/zinc/22/83/23/351228323.db2.gz LVVBXHRNSDFCEG-CYBMUJFWSA-N 1 0 253.346 0.665 10 0 CCAERO C[NH+](C)C[C@@H]1CN(CCCn2ccnc2)CCO1 ZINC000183176202 351375739 /nfs/dbraw/zinc/37/57/39/351375739.db2.gz KBJJRYIAZMQQMY-CYBMUJFWSA-N 1 0 252.362 0.536 10 0 CCAERO O=C1NCC[C@H]1[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183809518 351393199 /nfs/dbraw/zinc/39/31/99/351393199.db2.gz UYBPISROSPXKCB-GFCCVEGCSA-N 1 0 260.341 0.482 10 0 CCAERO CC(C)OCCCCNC(=O)NC[C@@H]1CN(C)CCO1 ZINC000181880248 351340032 /nfs/dbraw/zinc/34/00/32/351340032.db2.gz OVNQWOZLVPSRFF-CYBMUJFWSA-N 1 0 287.404 0.821 10 0 CCAERO O=C(CCN1C(=O)CCC1=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186543579 351502943 /nfs/dbraw/zinc/50/29/43/351502943.db2.gz GQVMBENKRVLYSY-NSHDSACASA-N 1 0 293.367 0.269 10 0 CCAERO CCOCCONC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000186005413 351471673 /nfs/dbraw/zinc/47/16/73/351471673.db2.gz XXSLBZHLEMLEBM-UHFFFAOYSA-N 1 0 271.361 0.834 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)Nc1ccc(F)cc1 ZINC000414662924 233667712 /nfs/dbraw/zinc/66/77/12/233667712.db2.gz RQPOILAACNFAEB-GZMMTYOYSA-N 1 0 253.277 0.528 10 0 CCAERO COC(=O)c1cc(N(C)C[C@@H]2CC[N@H+](C)C2)ncn1 ZINC000603288529 363047879 /nfs/dbraw/zinc/04/78/79/363047879.db2.gz PXDTUWJWHXLFEG-SNVBAGLBSA-N 1 0 264.329 0.651 10 0 CCAERO CN1CCCN(C(=O)NCC[N@H+](C)C2CCCC2)CC1=O ZINC000188061914 351569979 /nfs/dbraw/zinc/56/99/79/351569979.db2.gz NIUPDYWHOLJNCE-UHFFFAOYSA-N 1 0 296.415 0.735 10 0 CCAERO O=C(NC[C@H]1CSCCS1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188572453 351607927 /nfs/dbraw/zinc/60/79/27/351607927.db2.gz FTDWUYFDOJSVFL-XHNCKOQMSA-N 1 0 264.391 0.651 10 0 CCAERO CNC(=O)c1ccc(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000188849014 351633226 /nfs/dbraw/zinc/63/32/26/351633226.db2.gz CEXDRKANOPHAMT-GXSJLCMTSA-N 1 0 265.288 0.685 10 0 CCAERO CCOCCO[C@H]1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000188971686 351643905 /nfs/dbraw/zinc/64/39/05/351643905.db2.gz HZOUFCCPWUZYJF-SDDRHHMPSA-N 1 0 274.336 0.340 10 0 CCAERO O=C(N[C@H]1CCCC[C@@H]1CO)c1[nH]nc2c1C[NH2+]CC2 ZINC000188987002 351644811 /nfs/dbraw/zinc/64/48/11/351644811.db2.gz SABFYAAJNPISHQ-KOLCDFICSA-N 1 0 278.356 0.336 10 0 CCAERO C[C@@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)c1ccncc1 ZINC000188692396 351618590 /nfs/dbraw/zinc/61/85/90/351618590.db2.gz OQUDHILZCLHUQB-SECBINFHSA-N 1 0 271.324 0.941 10 0 CCAERO O=S(=O)(CC[NH+]1CCCC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000189437540 351678632 /nfs/dbraw/zinc/67/86/32/351678632.db2.gz QMIRKGOXKVAZCB-CQSZACIVSA-N 1 0 299.440 0.358 10 0 CCAERO CCN(C)c1ccc(C[NH2+]C[C@H]2CN(C)CCO2)cn1 ZINC000190960458 351740664 /nfs/dbraw/zinc/74/06/64/351740664.db2.gz BBENWVITIDVUNK-AWEZNQCLSA-N 1 0 278.400 0.958 10 0 CCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H](O)c2ccccc2F)C1 ZINC000191891441 351776666 /nfs/dbraw/zinc/77/66/66/351776666.db2.gz XGSYIDOLUVZVLM-BIMULSAOSA-N 1 0 282.315 0.352 10 0 CCAERO CN(Cc1ccco1)C(=O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193650117 351838497 /nfs/dbraw/zinc/83/84/97/351838497.db2.gz ZNTHOFAMKUHIMS-BETUJISGSA-N 1 0 277.368 0.731 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(C(N)=O)s1 ZINC000193555476 351832732 /nfs/dbraw/zinc/83/27/32/351832732.db2.gz BQEOIQUQMQANMT-JGVFFNPUSA-N 1 0 267.354 0.717 10 0 CCAERO COCc1noc([C@H](C)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)n1 ZINC000193631178 351836949 /nfs/dbraw/zinc/83/69/49/351836949.db2.gz AXBXXAAJALUEPH-GARJFASQSA-N 1 0 266.345 0.770 10 0 CCAERO O[C@]1(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CCOC1 ZINC000194126461 351857026 /nfs/dbraw/zinc/85/70/26/351857026.db2.gz VVPDQSNPLRERSB-LPWJVIDDSA-N 1 0 253.342 0.685 10 0 CCAERO CCOC(=O)NCC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000194534466 351873731 /nfs/dbraw/zinc/87/37/31/351873731.db2.gz IWZXWWBOTKJONZ-UHFFFAOYSA-N 1 0 269.345 0.429 10 0 CCAERO O=C(NC1CC[NH+](CC2CC2)CC1)[C@H]1CNC(=O)C1 ZINC000194874978 351889955 /nfs/dbraw/zinc/88/99/55/351889955.db2.gz CGAOAMROPYBCKB-LLVKDONJSA-N 1 0 265.357 0.113 10 0 CCAERO CC(C)(C)C(=O)NCC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195085837 351896504 /nfs/dbraw/zinc/89/65/04/351896504.db2.gz MUUMNRSBOFEEMB-GFCCVEGCSA-N 1 0 281.400 0.845 10 0 CCAERO Cn1cc(C(=O)C(=O)N2CCN3CCCC[C@@H]3C2)cn1 ZINC000195188743 351902677 /nfs/dbraw/zinc/90/26/77/351902677.db2.gz KPCKWMGPIWATJA-GFCCVEGCSA-N 1 0 276.340 0.300 10 0 CCAERO CC(C)n1nnnc1CN1CCC[N@@H+](C2CC2)CC1 ZINC000195432905 351913001 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265.357 0.209 10 0 CCAERO CC(C)[NH2+]CCN1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000366184103 357190555 /nfs/dbraw/zinc/19/05/55/357190555.db2.gz LIYGGGURRDTUCV-AWEZNQCLSA-N 1 0 266.389 0.966 10 0 CCAERO OCCN1CCC[C@H]([NH2+]Cc2cccc3c2OCO3)C1 ZINC000384386112 357720355 /nfs/dbraw/zinc/72/03/55/357720355.db2.gz MHMUAJFLIFYTGB-ZDUSSCGKSA-N 1 0 278.352 0.962 10 0 CCAERO CC(C)(C(=O)NCCOC(F)(F)F)N1CC[NH2+]CC1 ZINC000398132682 357775337 /nfs/dbraw/zinc/77/53/37/357775337.db2.gz PFJXZTPIDWHGQY-UHFFFAOYSA-N 1 0 283.294 0.323 10 0 CCAERO CCc1ncnc(NC[C@H]2C[NH2+]CCCO2)c1F ZINC000390149816 357741549 /nfs/dbraw/zinc/74/15/49/357741549.db2.gz WMMPHOAUMSDESS-SECBINFHSA-N 1 0 254.309 0.390 10 0 CCAERO O=C(CC[C@@H]1CCCCO1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404231098 357818826 /nfs/dbraw/zinc/81/88/26/357818826.db2.gz QFRRWCQNXNGKND-MELADBBJSA-N 1 0 282.384 0.925 10 0 CCAERO Cc1noc(CN2CC[NH+](CC3(O)CCC3)CC2)n1 ZINC000407950484 357834386 /nfs/dbraw/zinc/83/43/86/357834386.db2.gz CNMWMVUXEQMKIH-UHFFFAOYSA-N 1 0 266.345 0.411 10 0 CCAERO C[NH+](C)[C@H]1CCN(C(=O)NCc2nnc3n2CCCC3)C1 ZINC000408024887 357872728 /nfs/dbraw/zinc/87/27/28/357872728.db2.gz IVUJYHDTOLJXNJ-NSHDSACASA-N 1 0 292.387 0.460 10 0 CCAERO C[NH+](C)[C@H]1CCN(C(=O)CNC(=O)C2CCCCC2)C1 ZINC000408026454 357874078 /nfs/dbraw/zinc/87/40/78/357874078.db2.gz YDWLNYWEEHFKJA-ZDUSSCGKSA-N 1 0 281.400 0.845 10 0 CCAERO C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@](O)(C(N)=O)C2)CCO1 ZINC000408039845 357881848 /nfs/dbraw/zinc/88/18/48/357881848.db2.gz ZIKYXJNAYRWCCN-NTZNESFSSA-N 1 0 256.346 0.114 10 0 CCAERO COC(=O)[C@H]1CC[C@@H]1C(=O)NC1CC[NH+](C)CC1 ZINC000408061535 357896858 /nfs/dbraw/zinc/89/68/58/357896858.db2.gz KJHIYFFZFCUVBI-QWRGUYRKSA-N 1 0 254.330 0.396 10 0 CCAERO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]C1CCOCC1 ZINC000408068788 357900672 /nfs/dbraw/zinc/90/06/72/357900672.db2.gz BEAQAVAVEYXKRN-RYUDHWBXSA-N 1 0 276.402 0.615 10 0 CCAERO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCOC1 ZINC000408072752 357902900 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PJDNMKQPGZOYDA-UWVGGRQHSA-N 1 0 250.302 0.466 10 0 CCAERO CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@@H]2CCOC[C@H]2C)nn1 ZINC000329509070 202366501 /nfs/dbraw/zinc/36/65/01/202366501.db2.gz JOMUPFZNGQGKRH-FMKGYKFTSA-N 1 0 296.371 0.379 10 0 CCAERO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CC(n2ccnn2)C1 ZINC000329527630 202372808 /nfs/dbraw/zinc/37/28/08/202372808.db2.gz UHJCQBCLGZEANQ-LBPRGKRZSA-N 1 0 277.372 0.926 10 0 CCAERO COC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000593912013 360208153 /nfs/dbraw/zinc/20/81/53/360208153.db2.gz RTNOETLPQYUDTL-IJLUTSLNSA-N 1 0 268.357 0.773 10 0 CCAERO Cc1n[nH]c(=O)c(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1C ZINC000177139293 189031594 /nfs/dbraw/zinc/03/15/94/189031594.db2.gz ZPPFTVMQQYZIAL-JOYOIKCWSA-N 1 0 292.383 0.845 10 0 CCAERO COC(=O)[C@@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000594453979 360317378 /nfs/dbraw/zinc/31/73/78/360317378.db2.gz QFZSLJODUICYJC-VXGBXAGGSA-N 1 0 268.357 0.788 10 0 CCAERO C[C@H](C(=O)Nc1ncccn1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178630273 189132446 /nfs/dbraw/zinc/13/24/46/189132446.db2.gz KYPCPLZOUDSYRE-VXGBXAGGSA-N 1 0 275.356 0.584 10 0 CCAERO Cc1cccc(OCC[N@@H+]2C[C@H](O)C[C@@H]2CO)c1 ZINC000179171985 189174666 /nfs/dbraw/zinc/17/46/66/189174666.db2.gz XCUBJGGKZJFUCD-CHWSQXEVSA-N 1 0 251.326 0.801 10 0 CCAERO Cc1cc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)cc(=O)[nH]1 ZINC000180421220 189254258 /nfs/dbraw/zinc/25/42/58/189254258.db2.gz MMVIANVGGNZSET-GFCCVEGCSA-N 1 0 279.340 0.498 10 0 CCAERO COc1c(CNC2CC([NH+](C)C)C2)c(C)nn1C ZINC000564739747 291297895 /nfs/dbraw/zinc/29/78/95/291297895.db2.gz HIWVHZVOAIINHB-UHFFFAOYSA-N 1 0 252.362 0.919 10 0 CCAERO C[C@H]1CN(Cc2nnnn2Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000631841762 370708085 /nfs/dbraw/zinc/70/80/85/370708085.db2.gz PJQPGKRJAZOKSJ-JSGCOSHPSA-N 1 0 286.383 0.748 10 0 CCAERO COC[C@@]1(C(=O)NCC[C@@H]2CC2(F)F)CCC[NH2+]1 ZINC000621674716 366828914 /nfs/dbraw/zinc/82/89/14/366828914.db2.gz APVPNNBXNZBLKK-MWLCHTKSSA-N 1 0 262.300 0.917 10 0 CCAERO OCC[N@@H+]1CCOC[C@@H](c2ccc(CO)cc2)C1 ZINC000616660002 365414235 /nfs/dbraw/zinc/41/42/35/365414235.db2.gz IKCLIAKJNDTZBX-AWEZNQCLSA-N 1 0 251.326 0.587 10 0 CCAERO NS(=O)(=O)N1CC[NH2+]C[C@@H]1c1cncc2ccccc21 ZINC000616604831 365383404 /nfs/dbraw/zinc/38/34/04/365383404.db2.gz PHPFTXHYUHFOKI-CYBMUJFWSA-N 1 0 292.364 0.385 10 0 CCAERO NC(=O)c1ccc([C@H]2COCC[N@H+](CCO)C2)cc1 ZINC000616662014 365415522 /nfs/dbraw/zinc/41/55/22/365415522.db2.gz YWQAZDMEHCFFTP-CYBMUJFWSA-N 1 0 264.325 0.194 10 0 CCAERO NS(=O)(=O)[C@@H]1CCc2ccccc2N1CC[NH3+] ZINC000616671217 365420392 /nfs/dbraw/zinc/42/03/92/365420392.db2.gz SIOSGXYXJVIHJM-LLVKDONJSA-N 1 0 255.343 0.013 10 0 CCAERO NS(=O)(=O)N1CC[NH2+]C[C@@H]1c1ccc2ncccc2c1 ZINC000616636817 365397440 /nfs/dbraw/zinc/39/74/40/365397440.db2.gz ZMDHOBPDAYVAPV-CYBMUJFWSA-N 1 0 292.364 0.385 10 0 CCAERO OCCc1ccc([C@H]2C[NH2+]CCN2CCO)cc1 ZINC000616637462 365397997 /nfs/dbraw/zinc/39/79/97/365397997.db2.gz XKLZIFFXJFUBGA-CQSZACIVSA-N 1 0 250.342 0.160 10 0 CCAERO [NH3+]CCN1CCCOC[C@H]1c1ccccc1CCO ZINC000616646535 365405401 /nfs/dbraw/zinc/40/54/01/365405401.db2.gz XXPPQJQSWDMRID-HNNXBMFYSA-N 1 0 264.369 0.944 10 0 CCAERO OCC[N@@H+]1CCCO[C@H](c2ccccc2CO)C1 ZINC000616648846 365407358 /nfs/dbraw/zinc/40/73/58/365407358.db2.gz FMGCQJIVBCWLDQ-AWEZNQCLSA-N 1 0 251.326 0.935 10 0 CCAERO O=C1N[C@@H]([C@H](O)c2ccccc2)CC12CC[NH2+]CC2 ZINC000616580020 365374361 /nfs/dbraw/zinc/37/43/61/365374361.db2.gz SRUBNOMXXSIUHK-CHWSQXEVSA-N 1 0 260.337 0.978 10 0 CCAERO [NH3+]CCN1CCO[C@H](c2ccc(CCO)cc2)CC1 ZINC000616592156 365376559 /nfs/dbraw/zinc/37/65/59/365376559.db2.gz BTVRIDCNLPTKCB-HNNXBMFYSA-N 1 0 264.369 0.944 10 0 CCAERO CC(C)(C)OC(=O)NCCN1CCOCC[C@@H]1CC[NH3+] ZINC000616656499 365411149 /nfs/dbraw/zinc/41/11/49/365411149.db2.gz BLRDINNKWKWTPX-LBPRGKRZSA-N 1 0 287.404 0.951 10 0 CCAERO CN(C(=O)OC(C)(C)C)[C@H]1CCN(CC[NH3+])CCO1 ZINC000616596218 365377427 /nfs/dbraw/zinc/37/74/27/365377427.db2.gz RSLBCMRUMWDQFM-LLVKDONJSA-N 1 0 273.377 0.860 10 0 CCAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCCO[C@@H](C(N)=O)C1 ZINC000616654946 365411318 /nfs/dbraw/zinc/41/13/18/365411318.db2.gz MRXIGYIUNLMLDU-SNVBAGLBSA-N 1 0 287.360 0.087 10 0 CCAERO OCC[N@@H+]1CCCO[C@@H](c2cccc(CO)c2)C1 ZINC000616597464 365379522 /nfs/dbraw/zinc/37/95/22/365379522.db2.gz FZQRJLCERODCKP-CQSZACIVSA-N 1 0 251.326 0.935 10 0 CCAERO COC(=O)C1CCN(C(=O)[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000335534253 212230740 /nfs/dbraw/zinc/23/07/40/212230740.db2.gz JLJHIMIQZXABGP-JQWIXIFHSA-N 1 0 268.357 0.786 10 0 CCAERO C[C@@H](NC(=O)[C@H]1C[C@H](C)CC[NH2+]1)C(=O)N1CCCCC1 ZINC000253151643 296102559 /nfs/dbraw/zinc/10/25/59/296102559.db2.gz HTTFEFQGDKONTK-JHJVBQTASA-N 1 0 281.400 0.892 10 0 CCAERO Cc1nn(C)c2ncc(C[NH2+][C@@H]3CCOC[C@@H]3O)cc12 ZINC000623765085 367649977 /nfs/dbraw/zinc/64/99/77/367649977.db2.gz NOLAWTANCFYLNF-OLZOCXBDSA-N 1 0 276.340 0.516 10 0 CCAERO O[C@H]1COCC[C@@H]1[NH2+]Cc1cccc2c1OCCO2 ZINC000623765635 367652671 /nfs/dbraw/zinc/65/26/71/367652671.db2.gz VQKCIDILFVRRQI-RYUDHWBXSA-N 1 0 265.309 0.697 10 0 CCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CNC(=O)c1cccc(F)c1 ZINC000335504983 212187485 /nfs/dbraw/zinc/18/74/85/212187485.db2.gz MDNPVNOYCOZOIF-SKDRFNHKSA-N 1 0 279.315 0.504 10 0 CCAERO O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000038043264 284031179 /nfs/dbraw/zinc/03/11/79/284031179.db2.gz NQWOZRNKHXMJMS-YUELXQCFSA-N 1 0 295.427 0.623 10 0 CCAERO CCCCOC[C@@H](O)C[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000625973472 368380643 /nfs/dbraw/zinc/38/06/43/368380643.db2.gz PNEBECJJTFWTTB-SOUVJXGZSA-N 1 0 289.416 0.477 10 0 CCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NC[C@@H](O)C(F)(F)F ZINC000227424304 189784759 /nfs/dbraw/zinc/78/47/59/189784759.db2.gz SDTJOJWAEABASZ-BWZBUEFSSA-N 1 0 254.252 0.401 10 0 CCAERO Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCOC[C@H]2O)cc1 ZINC000629610353 369740469 /nfs/dbraw/zinc/74/04/69/369740469.db2.gz MJQBJUOYMDSJFM-VHDGCEQUSA-N 1 0 281.352 0.474 10 0 CCAERO CO[C@@H]1CN(CC(=O)N[C@@H](C)C(C)C)[C@](C)(C[NH3+])C1 ZINC000630362890 370064322 /nfs/dbraw/zinc/06/43/22/370064322.db2.gz QMLNLSSKBOQHMZ-OBJOEFQTSA-N 1 0 271.405 0.585 10 0 CCAERO CC[C@H](C)NC(=O)CN1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630364340 370065761 /nfs/dbraw/zinc/06/57/61/370065761.db2.gz USWBNUXOPHFQJQ-GVXVVHGQSA-N 1 0 257.378 0.339 10 0 CCAERO CO[C@@H]1CN(C(=O)COCC(F)(F)F)[C@@](C)(C[NH3+])C1 ZINC000630365413 370066326 /nfs/dbraw/zinc/06/63/26/370066326.db2.gz HUQZVBPVBZDTND-WCBMZHEXSA-N 1 0 284.278 0.530 10 0 CCAERO CO[C@H]1CN(S(=O)(=O)CC(C)(C)C)[C@](C)(C[NH3+])C1 ZINC000630367341 370067861 /nfs/dbraw/zinc/06/78/61/370067861.db2.gz OACZYNHPMKRIOW-PWSUYJOCSA-N 1 0 278.418 0.800 10 0 CCAERO CO[C@@H]1CN(S(=O)(=O)N2CCCCC2)[C@](C)(C[NH3+])C1 ZINC000630366237 370067905 /nfs/dbraw/zinc/06/79/05/370067905.db2.gz WXCWWFINXUCWMI-RYUDHWBXSA-N 1 0 291.417 0.155 10 0 CCAERO CO[C@@H]1CN(C(=O)c2ccncc2F)[C@@](C)(C[NH3+])C1 ZINC000630370050 370071295 /nfs/dbraw/zinc/07/12/95/370071295.db2.gz CWRRGCBPDXWTIT-TVQRCGJNSA-N 1 0 267.304 0.799 10 0 CCAERO CO[C@H]1CN(C(=O)Cc2cccnc2)[C@](C)(C[NH3+])C1 ZINC000630373260 370074314 /nfs/dbraw/zinc/07/43/14/370074314.db2.gz UGUJUDGBNMBTJR-OCCSQVGLSA-N 1 0 263.341 0.589 10 0 CCAERO CO[C@@H](C(=O)N1C[C@@H](OC)C[C@]1(C)C[NH3+])C1CCC1 ZINC000630376173 370078284 /nfs/dbraw/zinc/07/82/84/370078284.db2.gz VRQIIBQQDJGZEN-OUCADQQQSA-N 1 0 270.373 0.766 10 0 CCAERO C[NH2+]CCOCCNc1cc(C)nc2ncnn21 ZINC000630528309 370148112 /nfs/dbraw/zinc/14/81/12/370148112.db2.gz FNHPATPTCYNGRR-UHFFFAOYSA-N 1 0 250.306 0.081 10 0 CCAERO C[NH2+]CCOCCN(C)c1cnn(C)c(=O)c1Cl ZINC000630530190 370150143 /nfs/dbraw/zinc/15/01/43/370150143.db2.gz GTIQLFGBAJOHBU-UHFFFAOYSA-N 1 0 274.752 0.106 10 0 CCAERO CN(C)c1nccc(N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)n1 ZINC000630539135 370156995 /nfs/dbraw/zinc/15/69/95/370156995.db2.gz AJMRKGVLDFSTMS-OKILXGFUSA-N 1 0 261.373 0.978 10 0 CCAERO Cc1nn(C)c2ncc(C(=O)N3C[C@@H](C)[C@@H]([NH3+])C3)cc12 ZINC000567733714 291507936 /nfs/dbraw/zinc/50/79/36/291507936.db2.gz OIIJGQQRIWLLNA-PELKAZGASA-N 1 0 273.340 0.696 10 0 CCAERO C[C@H]1C[C@@H](C(=O)NCCSCCCO)CC[NH2+]1 ZINC000235571866 189829337 /nfs/dbraw/zinc/82/93/37/189829337.db2.gz BWKILNQJMOTBER-QWRGUYRKSA-N 1 0 260.403 0.606 10 0 CCAERO CN(Cc1cnn(C)c1)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634764394 372211050 /nfs/dbraw/zinc/21/10/50/372211050.db2.gz SCKJSIRSSKQXSC-JSGCOSHPSA-N 1 0 262.357 0.768 10 0 CCAERO COCCn1cc(NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)cn1 ZINC000634742056 372186426 /nfs/dbraw/zinc/18/64/26/372186426.db2.gz YGGLYUPPGPMCMJ-FZMZJTMJSA-N 1 0 278.356 0.858 10 0 CCAERO O=C(NCC[S@@](=O)Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000237889111 189892770 /nfs/dbraw/zinc/89/27/70/189892770.db2.gz PCIKHOSTPAOHKZ-ORAYPTAESA-N 1 0 280.393 0.661 10 0 CCAERO CO[C@@H]1C[C@H](NC(=O)NC[C@@H]2CC[NH2+]C2)C1(C)C ZINC000333127959 205052720 /nfs/dbraw/zinc/05/27/20/205052720.db2.gz BIIMWQVPUYEVSZ-OUAUKWLOSA-N 1 0 255.362 0.709 10 0 CCAERO CCc1noc(NC(=O)N[C@H]2CCCC[NH2+]C2)n1 ZINC000333270941 205171343 /nfs/dbraw/zinc/17/13/43/205171343.db2.gz GBNXQDKTTKYEJT-QMMMGPOBSA-N 1 0 253.306 0.318 10 0 CCAERO C[C@@H]1C[NH2+]CCN1C(=O)NCC[C@H]1CCCCO1 ZINC000333478014 205356773 /nfs/dbraw/zinc/35/67/73/205356773.db2.gz BBQCUHAFJKQCKE-VXGBXAGGSA-N 1 0 255.362 0.949 10 0 CCAERO C[C@H](NC(=O)N[C@H]1C[C@@](C)(O)C1)C1=CC[N@H+](C)CC1 ZINC000333485674 205363715 /nfs/dbraw/zinc/36/37/15/205363715.db2.gz GDKZYZSHHOCBFQ-VHRBIJSZSA-N 1 0 267.373 0.849 10 0 CCAERO C[C@H]1OCC[C@H]1NC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000333486370 205366201 /nfs/dbraw/zinc/36/62/01/205366201.db2.gz BYWUJMWJSQIDKB-YUSALJHKSA-N 1 0 255.362 0.981 10 0 CCAERO CN(C(=O)NC[C@@H]1CCCCC1(F)F)[C@H]1C[NH2+]C[C@@H]1O ZINC000333579052 205462703 /nfs/dbraw/zinc/46/27/03/205462703.db2.gz NLFQWMXVANHNLB-DCAQKATOSA-N 1 0 291.342 0.786 10 0 CCAERO COC[C@H]1CN(C(=O)N[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000333655263 205556390 /nfs/dbraw/zinc/55/63/90/205556390.db2.gz KOCGPURIUABATF-VXGBXAGGSA-N 1 0 271.361 0.185 10 0 CCAERO O=C(NC[C@H]1CC[NH2+]C1)N1CCOCC2(CCC2)C1 ZINC000333738324 205652162 /nfs/dbraw/zinc/65/21/62/205652162.db2.gz XEUBLIYVAXIRSO-LBPRGKRZSA-N 1 0 267.373 0.808 10 0 CCAERO CC(=O)N1CCC[C@H](C(=O)N2C[C@H](C)[C@H]([NH3+])C2)C1 ZINC000568266841 291577137 /nfs/dbraw/zinc/57/71/37/291577137.db2.gz OYPFDGJIRUZSAL-ZMLRMANQSA-N 1 0 253.346 0.051 10 0 CCAERO CN(CC1(CO)CC1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333864639 205784546 /nfs/dbraw/zinc/78/45/46/205784546.db2.gz SSQYHLUYEZKASM-LLVKDONJSA-N 1 0 255.362 0.542 10 0 CCAERO CO[C@@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)C[C@@H]1OC ZINC000333843841 205764586 /nfs/dbraw/zinc/76/45/86/205764586.db2.gz OTOIMAZLYUKDAT-SDDRHHMPSA-N 1 0 271.361 0.184 10 0 CCAERO COc1cc(CNC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccn1 ZINC000333892400 205806600 /nfs/dbraw/zinc/80/66/00/205806600.db2.gz HFFXBTULCATYQN-YNEHKIRRSA-N 1 0 290.367 0.969 10 0 CCAERO COc1cccc(CNC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000333900827 205816058 /nfs/dbraw/zinc/81/60/58/205816058.db2.gz BONYMLFILIWPJT-NWDGAFQWSA-N 1 0 290.367 0.841 10 0 CCAERO CC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000637849743 374405768 /nfs/dbraw/zinc/40/57/68/374405768.db2.gz HUIKPSQYDVVTQM-FRRDWIJNSA-N 1 0 269.389 0.781 10 0 CCAERO C[NH+]1CCC(C(=O)N[C@H]2CCCC[C@H]2CO)CC1 ZINC000334151971 206100957 /nfs/dbraw/zinc/10/09/57/206100957.db2.gz UCCJPWGNQQRFCK-STQMWFEESA-N 1 0 254.374 0.996 10 0 CCAERO [NH3+]C[C@]1(C(=O)N[C@@H]2CCC[C@H](O)C2)CCCOC1 ZINC000637927187 374480215 /nfs/dbraw/zinc/48/02/15/374480215.db2.gz JPTBMYIDHGXTTO-NTZNESFSSA-N 1 0 256.346 0.162 10 0 CCAERO [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000637933782 374485784 /nfs/dbraw/zinc/48/57/84/374485784.db2.gz QFUHWBQCEWSQJW-WYUUTHIRSA-N 1 0 254.330 0.273 10 0 CCAERO C[C@H]1CN(C(=O)[C@@]2(C[NH3+])CCCOC2)CCS1 ZINC000637978278 374522758 /nfs/dbraw/zinc/52/27/58/374522758.db2.gz GLUVHFANMRRPTD-CMPLNLGQSA-N 1 0 258.387 0.706 10 0 CCAERO COC[C@@]1(C(=O)N[C@@H]2CCCOC2)CCCC[NH2+]1 ZINC000637982115 374527901 /nfs/dbraw/zinc/52/79/01/374527901.db2.gz QUZPROSHDIOUQW-DGCLKSJQSA-N 1 0 256.346 0.440 10 0 CCAERO COC[C@@]1(C(=O)NCC2(C)COC2)CCCC[NH2+]1 ZINC000637991765 374535535 /nfs/dbraw/zinc/53/55/35/374535535.db2.gz DXVHYWGTTGVKAM-CYBMUJFWSA-N 1 0 256.346 0.298 10 0 CCAERO CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2CCCC[C@H]2O)C1 ZINC000638012213 374556821 /nfs/dbraw/zinc/55/68/21/374556821.db2.gz UUUCVLNWHQDGLQ-FMSGJZPZSA-N 1 0 270.373 0.421 10 0 CCAERO CC(=O)N[C@@H](C(=O)N[C@H]1CCC[NH2+][C@@H]1C)C(C)C ZINC000638209449 374797153 /nfs/dbraw/zinc/79/71/53/374797153.db2.gz XWNCFLNSNCDVFE-ADEWGFFLSA-N 1 0 255.362 0.404 10 0 CCAERO CC(=O)N[C@@H](CC(C)C)C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000638330022 374930901 /nfs/dbraw/zinc/93/09/01/374930901.db2.gz CIBILLRFEJOJPW-DLOVCJGASA-N 1 0 255.362 0.343 10 0 CCAERO COC[C@]1(C(=O)NC2CCC(OC)CC2)CCC[NH2+]1 ZINC000638444652 375048031 /nfs/dbraw/zinc/04/80/31/375048031.db2.gz IJKKTUVAJWGRKI-YIZWMMSDSA-N 1 0 270.373 0.829 10 0 CCAERO COC[C@@H]([NH3+])C(=O)NC[C@@H]1Cc2ccccc2CO1 ZINC000638460908 375065128 /nfs/dbraw/zinc/06/51/28/375065128.db2.gz DXBQYDNIJOQXTK-QWHCGFSZSA-N 1 0 264.325 0.218 10 0 CCAERO C[NH2+]CCOCCNC(=O)[C@H](C)OCc1ccccc1 ZINC000638580122 375160012 /nfs/dbraw/zinc/16/00/12/375160012.db2.gz CTHLHIAPAWNCFX-ZDUSSCGKSA-N 1 0 280.368 0.944 10 0 CCAERO CCOC[C@H]1CN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)CCO1 ZINC000638606457 375186174 /nfs/dbraw/zinc/18/61/74/375186174.db2.gz UDUDKILADUICKX-JHJVBQTASA-N 1 0 270.373 0.638 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000638853825 375409196 /nfs/dbraw/zinc/40/91/96/375409196.db2.gz PFVWZAHSKBLQEL-UWVGGRQHSA-N 1 0 262.375 0.005 10 0 CCAERO CC(C)CN1C[C@H](C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)CC1=O ZINC000638886686 375425507 /nfs/dbraw/zinc/42/55/07/375425507.db2.gz BOFRPYKCRFZUFK-UPJWGTAASA-N 1 0 281.400 0.544 10 0 CCAERO C[C@H]1CN(C(=O)c2cnc3sccn3c2=O)C[C@@H]1C[NH3+] ZINC000638887670 375426619 /nfs/dbraw/zinc/42/66/19/375426619.db2.gz MGPMFWPDZWGENW-IUCAKERBSA-N 1 0 292.364 0.423 10 0 CCAERO C[C@@H]1CN(C(=O)Cn2ccc(C(F)(F)F)n2)C[C@H]1C[NH3+] ZINC000638888804 375428194 /nfs/dbraw/zinc/42/81/94/375428194.db2.gz UFPBMMYWNXRPMO-RKDXNWHRSA-N 1 0 290.289 0.955 10 0 CCAERO CC[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@@H]1OC)[C@@H]1C[C@@H]1C ZINC000639309446 375716566 /nfs/dbraw/zinc/71/65/66/375716566.db2.gz LQTRWISYLJUWSE-MJDLHHQISA-N 1 0 261.387 0.823 10 0 CCAERO CN(C)C(=O)[C@@H]1[NH2+]CCC[C@H]1NC(=O)OC(C)(C)C ZINC000261508034 190040053 /nfs/dbraw/zinc/04/00/53/190040053.db2.gz PCTNQJKTWVSKAH-NXEZZACHSA-N 1 0 271.361 0.720 10 0 CCAERO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2nnc3ccccn32)O1 ZINC000262132330 190048981 /nfs/dbraw/zinc/04/89/81/190048981.db2.gz WRVJTVGJWZABTI-BDAKNGLRSA-N 1 0 261.285 0.174 10 0 CCAERO C[NH2+][C@@H](C(=O)N(C)C[C@H]1CCCO1)c1cnn(C)c1 ZINC000262039688 190047487 /nfs/dbraw/zinc/04/74/87/190047487.db2.gz GASIEMXJIDJTAO-VXGBXAGGSA-N 1 0 266.345 0.318 10 0 CCAERO COC[C@@](C)(CO)[NH2+]C[C@H](O)COCc1ccccc1 ZINC000639952798 376150771 /nfs/dbraw/zinc/15/07/71/376150771.db2.gz SNIPNDXBBHJVCN-LSDHHAIUSA-N 1 0 283.368 0.551 10 0 CCAERO Cc1nc(-c2ccc(NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)cc2)n[nH]1 ZINC000262438946 190055049 /nfs/dbraw/zinc/05/50/49/190055049.db2.gz SRCNQYSIEYKCHY-VXGBXAGGSA-N 1 0 287.323 0.441 10 0 CCAERO O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCO[C@H](c2cccs2)C1 ZINC000262465758 190055672 /nfs/dbraw/zinc/05/56/72/190055672.db2.gz WGJVLEPLSRAPGN-DCAQKATOSA-N 1 0 282.365 0.371 10 0 CCAERO COCc1cc(CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)ccc1F ZINC000262478754 190056073 /nfs/dbraw/zinc/05/60/73/190056073.db2.gz HPLPFVUEOOSFFX-AAEUAGOBSA-N 1 0 282.315 0.311 10 0 CCAERO O=C(CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)Nc1ccc(Cl)cc1 ZINC000262472618 190056272 /nfs/dbraw/zinc/05/62/72/190056272.db2.gz GZMMAWOORNFIAL-MNOVXSKESA-N 1 0 297.742 0.118 10 0 CCAERO O=C(NCc1coc(-c2ccccc2)n1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262571869 190057548 /nfs/dbraw/zinc/05/75/48/190057548.db2.gz ZFEBIHSXMAXHQC-OLZOCXBDSA-N 1 0 287.319 0.681 10 0 CCAERO O=C(N[C@@H]1CCCC[C@@H]1O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262855019 190063823 /nfs/dbraw/zinc/06/38/23/190063823.db2.gz VTKARJDQFCNWIS-SCRDCRAPSA-N 1 0 292.383 0.841 10 0 CCAERO C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1nnc2ccccn21 ZINC000111265259 284645359 /nfs/dbraw/zinc/64/53/59/284645359.db2.gz QOUDQOWNZJAUEF-OUAUKWLOSA-N 1 0 273.340 0.762 10 0 CCAERO C[C@@H](NC(=O)N1CC[NH2+]C[C@@H]1C)C1CCOCC1 ZINC000334932513 207315108 /nfs/dbraw/zinc/31/51/08/207315108.db2.gz HQGYGNFVGSUJAH-WDEREUQCSA-N 1 0 255.362 0.805 10 0 CCAERO CCc1cnc(CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)o1 ZINC000231646784 284953570 /nfs/dbraw/zinc/95/35/70/284953570.db2.gz ORGKBKFFYVHNPH-ZJUUUORDSA-N 1 0 253.302 0.360 10 0 CCAERO CC(C)[NH2+]C[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000076404208 184586001 /nfs/dbraw/zinc/58/60/01/184586001.db2.gz UDMKGCMOLXHQBZ-ZDUSSCGKSA-N 1 0 269.389 0.165 10 0 CCAERO C[C@H]1C[NH2+]CCN1C(=O)NC[C@H]1CCNCC1(F)F ZINC000334968770 207386256 /nfs/dbraw/zinc/38/62/56/207386256.db2.gz VNSUIBPYILACCP-VHSXEESVSA-N 1 0 276.331 0.235 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1CCOC1 ZINC000246315721 285014847 /nfs/dbraw/zinc/01/48/47/285014847.db2.gz IXOWOFBVICEZHR-NWDGAFQWSA-N 1 0 255.362 0.901 10 0 CCAERO CNC(=O)NC(=O)CCN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246777749 285032356 /nfs/dbraw/zinc/03/23/56/285032356.db2.gz BBCVHDJFPVSWRW-MNOVXSKESA-N 1 0 268.361 0.001 10 0 CCAERO CC[C@@H]1CN(C(=O)[C@H]2CCCO2)CC[N@@H+]1C[C@H](C)O ZINC000246785531 285032389 /nfs/dbraw/zinc/03/23/89/285032389.db2.gz JBLHOIKGZSEPLT-YNEHKIRRSA-N 1 0 270.373 0.469 10 0 CCAERO O=S(=O)(CC[NH+]1CCCC1)N1C[C@@H]2C[C@H]1CS2 ZINC000334879310 285035901 /nfs/dbraw/zinc/03/59/01/285035901.db2.gz APYUQRWAWVYBFM-QWRGUYRKSA-N 1 0 276.427 0.602 10 0 CCAERO CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000247403147 285050018 /nfs/dbraw/zinc/05/00/18/285050018.db2.gz RFGIJLKESWYVLC-IACUBPJLSA-N 1 0 281.400 0.842 10 0 CCAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CNC(=O)C2)[C@H](C)C1 ZINC000247524887 285053786 /nfs/dbraw/zinc/05/37/86/285053786.db2.gz WRZUSGFUFNXBOD-WOPDTQHZSA-N 1 0 267.373 0.311 10 0 CCAERO CC(C)CNC(=O)NC(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000247538584 285054104 /nfs/dbraw/zinc/05/41/04/285054104.db2.gz YEYJHNILSAZSLQ-STQMWFEESA-N 1 0 296.415 0.637 10 0 CCAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1C(N)=O ZINC000248653312 285073406 /nfs/dbraw/zinc/07/34/06/285073406.db2.gz OPCUCQABZGSYLY-JHJVBQTASA-N 1 0 272.389 0.798 10 0 CCAERO CC[C@@H]1CN(C(=O)[C@@H]2CCOC[C@H]2C)CC[N@@H+]1C[C@H](C)O ZINC000248738327 285078433 /nfs/dbraw/zinc/07/84/33/285078433.db2.gz COCXWQQVJMFTTG-LXTVHRRPSA-N 1 0 298.427 0.963 10 0 CCAERO C=Cn1cc(CN2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cn1 ZINC000249044313 285098908 /nfs/dbraw/zinc/09/89/08/285098908.db2.gz VPZJHJDGGVLYHW-STQMWFEESA-N 1 0 264.373 0.871 10 0 CCAERO CCOCC[N@@H+]1CCN(CCN2CCO[C@H](C)C2)C[C@H]1C ZINC000249216147 285106493 /nfs/dbraw/zinc/10/64/93/285106493.db2.gz FBBWMBDOYLUFBE-HZPDHXFCSA-N 1 0 299.459 0.750 10 0 CCAERO C[C@@H]1CC[N@H+](C[C@H](O)COC(C)(C)C)[C@@H](C(N)=O)C1 ZINC000249566706 285127417 /nfs/dbraw/zinc/12/74/17/285127417.db2.gz NDWUNKDFXDEESY-GRYCIOLGSA-N 1 0 272.389 0.748 10 0 CCAERO COC(=O)C1CCC([NH2+][C@@H]2CCC(=O)N[C@@H]2C)CC1 ZINC000392908240 285205848 /nfs/dbraw/zinc/20/58/48/285205848.db2.gz YPCNHSRKZTYHAG-HBIQZDMRSA-N 1 0 268.357 0.975 10 0 CCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CCOCC(F)(F)F ZINC000392923887 285206734 /nfs/dbraw/zinc/20/67/34/285206734.db2.gz LFXRCWHKTPZMBN-YUMQZZPRSA-N 1 0 254.252 0.822 10 0 CCAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000392950194 285207153 /nfs/dbraw/zinc/20/71/53/285207153.db2.gz UMFOWOQGZYSRMD-GARJFASQSA-N 1 0 269.389 0.936 10 0 CCAERO COC[C@@H]([NH3+])C(=O)N1CCN(c2ccc(O)cc2)CC1 ZINC000159282466 285224934 /nfs/dbraw/zinc/22/49/34/285224934.db2.gz ZEYSTLNJJCYHIK-CYBMUJFWSA-N 1 0 279.340 0.015 10 0 CCAERO Cn1ncc(N2CC[NH2+]C(C)(C)C2)c(Cl)c1=O ZINC000395998433 285229819 /nfs/dbraw/zinc/22/98/19/285229819.db2.gz KZPNCQBSWQYJRG-UHFFFAOYSA-N 1 0 256.737 0.622 10 0 CCAERO 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YTGWWEATDHJQHS-SNVBAGLBSA-N 1 0 257.334 0.333 10 0 CCAERO CC(C)C[C@@H]([NH3+])CN1CC[C@H](N2CCOCC2)C1 ZINC000110371409 389101871 /nfs/dbraw/zinc/10/18/71/389101871.db2.gz TWQVPBSWQIWIIO-KGLIPLIRSA-N 1 0 255.406 0.766 10 0 CCAERO CC(C)(C)C[C@@H](O)CNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000226362978 389147991 /nfs/dbraw/zinc/14/79/91/389147991.db2.gz WXQMOIDEKJDYNF-GFCCVEGCSA-N 1 0 285.432 0.584 10 0 CCAERO CCCCOC[C@H](O)C[N@H+](C)CCn1cccn1 ZINC000195176528 389118753 /nfs/dbraw/zinc/11/87/53/389118753.db2.gz SCVBKLVNIDDPJX-CYBMUJFWSA-N 1 0 255.362 0.993 10 0 CCAERO CCCCOC[C@@H](O)C[NH2+][C@H](C(=O)NC)C(C)C ZINC000195213670 389119113 /nfs/dbraw/zinc/11/91/13/389119113.db2.gz MYGOUANFWBJCHN-RYUDHWBXSA-N 1 0 260.378 0.524 10 0 CCAERO CC(C)[C@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)N1CCCC1=O ZINC000195188558 389119539 /nfs/dbraw/zinc/11/95/39/389119539.db2.gz LQOYXNZZIIWJKF-UKRRQHHQSA-N 1 0 293.411 0.940 10 0 CCAERO CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@@H](n3cnnn3)C[C@@H]2C1 ZINC000215158542 389132635 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Cn1nc2c(cc1=O)C[N@H+]([C@H]1CCCC[C@H]1O)CC2 ZINC000245613841 389214209 /nfs/dbraw/zinc/21/42/09/389214209.db2.gz MCDLYSNORSZDAK-QWHCGFSZSA-N 1 0 263.341 0.442 10 0 CCAERO CCN(C)C(=O)CCN1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000245696170 389215643 /nfs/dbraw/zinc/21/56/43/389215643.db2.gz SAPUZCXRQHWOAD-STQMWFEESA-N 1 0 271.405 0.242 10 0 CCAERO COC(=O)CNC(=O)C[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000245857128 389219528 /nfs/dbraw/zinc/21/95/28/389219528.db2.gz HFWUJCDAWFVPOB-VXGBXAGGSA-N 1 0 268.357 0.930 10 0 CCAERO CCC[C@H](C(=O)NCCC(=O)N1CCOCC1)[NH+](C)C ZINC000132420081 389223870 /nfs/dbraw/zinc/22/38/70/389223870.db2.gz FQRZOHFKKDKVSN-GFCCVEGCSA-N 1 0 285.388 0.082 10 0 CCAERO CC(C)[C@@H](CNC(=O)[C@@H]1CC[C@@H](C)O1)[NH+]1CCN(C)CC1 ZINC000246110363 389224107 /nfs/dbraw/zinc/22/41/07/389224107.db2.gz XLAZFNHVPZAEHD-KFWWJZLASA-N 1 0 297.443 0.942 10 0 CCAERO CCCS(=O)(=O)CCN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000246999927 389234723 /nfs/dbraw/zinc/23/47/23/389234723.db2.gz FLTHBMHMJPHACT-CHWSQXEVSA-N 1 0 274.430 0.980 10 0 CCAERO C[C@@H](O)C[N@@H+]1CCN(CC(=O)N2CCC(C)CC2)C[C@@H]1C ZINC000247091096 389235799 /nfs/dbraw/zinc/23/57/99/389235799.db2.gz HPBKJDMEEWOOBM-LSDHHAIUSA-N 1 0 297.443 0.632 10 0 CCAERO CC[C@H](C(=O)OC)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000247148500 389237118 /nfs/dbraw/zinc/23/71/18/389237118.db2.gz LLJKGVPXCALJGB-SDDRHHMPSA-N 1 0 258.362 0.325 10 0 CCAERO CC(C)[N@H+](C)CCNS(=O)(=O)N1C[C@H](C)OC[C@H]1C ZINC000155599199 389320114 /nfs/dbraw/zinc/32/01/14/389320114.db2.gz PAEPNPKVRANZCQ-NEPJUHHUSA-N 1 0 293.433 0.270 10 0 CCAERO CNS(=O)(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000367143739 389324200 /nfs/dbraw/zinc/32/42/00/389324200.db2.gz LLNNSMDSDXMIEJ-RYUDHWBXSA-N 1 0 284.385 0.128 10 0 CCAERO CC[C@H](C)OCC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000152082463 389283923 /nfs/dbraw/zinc/28/39/23/389283923.db2.gz QXOCNWCFXVDBLR-NWDGAFQWSA-N 1 0 258.362 0.591 10 0 CCAERO CCC[C@H]([NH3+])C(=O)NC1CCC2(CC1)OCCO2 ZINC000262693912 389293512 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ZINC000178778109 389621868 /nfs/dbraw/zinc/62/18/68/389621868.db2.gz MXSUIKKDXFHDIG-JTQLQIEISA-N 1 0 295.387 0.711 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)Nc1ccccc1F ZINC000414666285 389624824 /nfs/dbraw/zinc/62/48/24/389624824.db2.gz GBUHDQCLWUWEFR-KWQFWETISA-N 1 0 253.277 0.528 10 0 CCAERO CN(C(=O)[C@@H]1CCNCC1(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000336176395 389627179 /nfs/dbraw/zinc/62/71/79/389627179.db2.gz OVAPFNXBCCNCNQ-MNOVXSKESA-N 1 0 275.343 0.832 10 0 CCAERO COC[C@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000178982722 389631856 /nfs/dbraw/zinc/63/18/56/389631856.db2.gz DRAVEOVVIULPHP-OLZOCXBDSA-N 1 0 267.373 0.901 10 0 CCAERO O=C(N1CC[N@@H+]2CCC[C@@H]2C1)C1(O)CCSCC1 ZINC000179183564 389643548 /nfs/dbraw/zinc/64/35/48/389643548.db2.gz URQTZRYSPXYJBP-LLVKDONJSA-N 1 0 270.398 0.551 10 0 CCAERO COc1ccc(C(=O)N2CCO[C@H]3C[NH2+]C[C@H]32)cc1F ZINC000374604575 389593042 /nfs/dbraw/zinc/59/30/42/389593042.db2.gz VSHASVBBBATNQW-YPMHNXCESA-N 1 0 280.299 0.647 10 0 CCAERO CCOc1cccc(CN(C)[C@H]2C[NH2+]C[C@@H]2O)n1 ZINC000415099920 389659473 /nfs/dbraw/zinc/65/94/73/389659473.db2.gz LXKMKYDDZYDMAJ-RYUDHWBXSA-N 1 0 251.330 0.245 10 0 CCAERO CO[C@@H]1C[C@@H](CO)N(Cc2nc(C(C)C)no2)C1 ZINC000375404154 389673292 /nfs/dbraw/zinc/67/32/92/389673292.db2.gz NEOZOKFSLFUUFB-VHSXEESVSA-N 1 0 255.318 0.775 10 0 CCAERO NC(=O)[C@@]1(O)CCC[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000375534460 389685646 /nfs/dbraw/zinc/68/56/46/389685646.db2.gz VFJMBOCDWUVRLN-CQSZACIVSA-N 1 0 274.324 0.375 10 0 CCAERO CC[C@H](O)C[NH+]1CCN(C[C@@H](O)C(F)(F)F)CC1 ZINC000181721588 389692281 /nfs/dbraw/zinc/69/22/81/389692281.db2.gz PFYSFXOPAVHGHT-VHSXEESVSA-N 1 0 270.295 0.298 10 0 CCAERO O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)C1C[NH2+]C1 ZINC000378645030 389759487 /nfs/dbraw/zinc/75/94/87/389759487.db2.gz ZKDQEPKBEIKWCX-IJLUTSLNSA-N 1 0 250.342 0.670 10 0 CCAERO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)C(=O)NCC(F)(F)F ZINC000392867500 389774922 /nfs/dbraw/zinc/77/49/22/389774922.db2.gz IFZXSNCBNAQJHJ-FXQIFTODSA-N 1 0 281.278 0.310 10 0 CCAERO CNC(=O)CCC[NH2+]C[C@H](O)COCc1ccco1 ZINC000398473989 389783214 /nfs/dbraw/zinc/78/32/14/389783214.db2.gz YJEGPUKPYOLFNC-NSHDSACASA-N 1 0 270.329 0.273 10 0 CCAERO CS(=O)(=O)CCC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398709735 389784692 /nfs/dbraw/zinc/78/46/92/389784692.db2.gz OGQPZYLURGFYGW-SRVKXCTJSA-N 1 0 261.387 0.514 10 0 CCAERO C[C@@H]([NH3+])CCNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000429018791 389734081 /nfs/dbraw/zinc/73/40/81/389734081.db2.gz HYVDXRCAAIPWFJ-SNVBAGLBSA-N 1 0 299.396 0.404 10 0 CCAERO Cc1cc(C[NH2+]C2CCN(CCO)CC2)sn1 ZINC000404388672 389811069 /nfs/dbraw/zinc/81/10/69/389811069.db2.gz XDCRTHXSLCGJAQ-UHFFFAOYSA-N 1 0 255.387 0.998 10 0 CCAERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCCNC1=O ZINC000407985906 389817778 /nfs/dbraw/zinc/81/77/78/389817778.db2.gz QUDHBUJSLLXTBJ-FRRDWIJNSA-N 1 0 296.415 0.685 10 0 CCAERO C[C@@H]1C[C@H](C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)CC(=O)N1 ZINC000408200253 389834587 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ZINC000643727632 390518914 /nfs/dbraw/zinc/51/89/14/390518914.db2.gz GCQKPQHNYVTCKR-GFCCVEGCSA-N 1 0 268.357 0.252 10 0 CCAERO COC[C@]1(C(=O)NCc2cc(C)no2)CCC[NH2+]1 ZINC000643665066 390494326 /nfs/dbraw/zinc/49/43/26/390494326.db2.gz ZDBGXALETYTJNZ-LBPRGKRZSA-N 1 0 253.302 0.368 10 0 CCAERO CCOC[C@H]1CCN(C(=O)[C@]2(COC)CCC[NH2+]2)C1 ZINC000643725775 390517572 /nfs/dbraw/zinc/51/75/72/390517572.db2.gz AUNVKUDBWMHMLE-GXTWGEPZSA-N 1 0 270.373 0.640 10 0 CCAERO COC[C@@]1(C(=O)N2CCCOC(C)(C)C2)CCC[NH2+]1 ZINC000643709419 390508547 /nfs/dbraw/zinc/50/85/47/390508547.db2.gz ZSCCPDHESBMKRQ-CQSZACIVSA-N 1 0 270.373 0.783 10 0 CCAERO COCCC1(C(=O)NC[C@@H](C)C[C@H](C)O)CC[NH2+]CC1 ZINC000643711323 390510035 /nfs/dbraw/zinc/51/00/35/390510035.db2.gz PETNMQYJIJVZQS-STQMWFEESA-N 1 0 286.416 0.916 10 0 CCAERO C[C@H](O)CC(C)(C)CNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643713334 390511393 /nfs/dbraw/zinc/51/13/93/390511393.db2.gz QWDWVIJBMVQSCP-QWRGUYRKSA-N 1 0 258.362 0.136 10 0 CCAERO C[C@H](NC(=O)[C@@H]1C[NH2+]CCOC1)C1CCOCC1 ZINC000643713528 390511766 /nfs/dbraw/zinc/51/17/66/390511766.db2.gz WOERIEXPZIVCDP-CMPLNLGQSA-N 1 0 256.346 0.154 10 0 CCAERO O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C[NH2+]CCOC1 ZINC000643614487 390469273 /nfs/dbraw/zinc/46/92/73/390469273.db2.gz ZRVTWYWNEYCWTJ-SECBINFHSA-N 1 0 264.281 0.590 10 0 CCAERO COc1ccc(NC(=O)[C@@H]2C[NH2+]CCOC2)cc1OC ZINC000643615041 390469649 /nfs/dbraw/zinc/46/96/49/390469649.db2.gz AWGUHUSMEMBVKG-SNVBAGLBSA-N 1 0 280.324 0.878 10 0 CCAERO COc1ccc(OC)c(NC(=O)[C@@H]2C[NH2+]CCOC2)c1 ZINC000643616432 390471596 /nfs/dbraw/zinc/47/15/96/390471596.db2.gz VBWFMHMJHKZNLQ-SNVBAGLBSA-N 1 0 280.324 0.878 10 0 CCAERO COC[C@@]1(C(=O)Nc2nnc(C)s2)CCC[NH2+]1 ZINC000643617620 390472401 /nfs/dbraw/zinc/47/24/01/390472401.db2.gz KHQWVRQSFHGTEH-SNVBAGLBSA-N 1 0 256.331 0.554 10 0 CCAERO COCCN(Cc1cccs1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643621173 390475930 /nfs/dbraw/zinc/47/59/30/390475930.db2.gz FENSEZATFMVHPT-GFCCVEGCSA-N 1 0 298.408 0.959 10 0 CCAERO O=C(N[C@@H]1C[C@@H]1c1ccccc1)[C@@H]1C[NH2+]CCOC1 ZINC000643630515 390480930 /nfs/dbraw/zinc/48/09/30/390480930.db2.gz ONEZDYFUZZHCQS-MGPQQGTHSA-N 1 0 260.337 0.895 10 0 CCAERO COC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000520600205 390583288 /nfs/dbraw/zinc/58/32/88/390583288.db2.gz JUCPURSPWKCIPU-VWYCJHECSA-N 1 0 254.330 0.525 10 0 CCAERO CNC(=O)c1cccc(NC(=O)[C@@H]2C[NH2+]CCOC2)c1 ZINC000643773676 390540088 /nfs/dbraw/zinc/54/00/88/390540088.db2.gz NQUSPMDOKVHNAF-LLVKDONJSA-N 1 0 277.324 0.221 10 0 CCAERO Cc1cnc([C@H](C)NC(=O)[C@H]2C[NH2+]CCOC2)o1 ZINC000643779179 390543250 /nfs/dbraw/zinc/54/32/50/390543250.db2.gz SUSWKFGCGBWKJT-UWVGGRQHSA-N 1 0 253.302 0.396 10 0 CCAERO COC[C@]1(C(=O)N[C@H]2CCCC[C@@H]2O)CCC[NH2+]1 ZINC000643778860 390543620 /nfs/dbraw/zinc/54/36/20/390543620.db2.gz CXOYZFXMCUXSSI-GVXVVHGQSA-N 1 0 256.346 0.175 10 0 CCAERO COCCC1(CNC(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000643792277 390553191 /nfs/dbraw/zinc/55/31/91/390553191.db2.gz ZTXLCDDIAWAJID-NSHDSACASA-N 1 0 256.346 0.155 10 0 CCAERO CC(C)c1nn(C)cc1NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643791777 390553348 /nfs/dbraw/zinc/55/33/48/390553348.db2.gz MBPKRPFZRIJWFU-JTQLQIEISA-N 1 0 266.345 0.718 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)N(C)[C@H](C)CS(C)(=O)=O ZINC000645975149 390555943 /nfs/dbraw/zinc/55/59/43/390555943.db2.gz FDCWPGGIEPHZSZ-NXEZZACHSA-N 1 0 264.391 0.251 10 0 CCAERO CN(CCc1ccncc1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649354300 390604141 /nfs/dbraw/zinc/60/41/41/390604141.db2.gz WXTKMBZNGJIWFW-CYBMUJFWSA-N 1 0 263.341 0.319 10 0 CCAERO Cc1oc(C)c(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1C ZINC000647041547 390764064 /nfs/dbraw/zinc/76/40/64/390764064.db2.gz PITFXAFRIHIUFZ-MNOVXSKESA-N 1 0 252.314 0.515 10 0 CCAERO Ic1cnnn1[C@H]1CC[NH2+]C1 ZINC000575523431 390841279 /nfs/dbraw/zinc/84/12/79/390841279.db2.gz KNSQCTNBGFKQLF-YFKPBYRVSA-N 1 0 264.070 0.417 10 0 CCAERO [NH3+][C@H]1CCCN(C(=O)[C@@H]2CCCN2c2ncccn2)C1 ZINC000647603323 390849416 /nfs/dbraw/zinc/84/94/16/390849416.db2.gz PIQUXCVFYUUGCN-RYUDHWBXSA-N 1 0 275.356 0.395 10 0 CCAERO Cc1nn(C)c(C)c1C[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000657694622 413049324 /nfs/dbraw/zinc/04/93/24/413049324.db2.gz NPRRVQXRWRJOCD-LLVKDONJSA-N 1 0 250.346 0.605 10 0 CCAERO C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333164560 296467157 /nfs/dbraw/zinc/46/71/57/296467157.db2.gz HBIHXTVLJDWJEQ-FPYNETTCSA-N 1 0 269.389 0.785 10 0 CCAERO O=S1(=O)N=C(OC[C@@H]2CCC[NH2+]2)c2ccccc21 ZINC000051865901 296494245 /nfs/dbraw/zinc/49/42/45/296494245.db2.gz LOBLGBWBXFZQJP-VIFPVBQESA-N 1 0 266.322 0.904 10 0 CCAERO CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658239424 413110690 /nfs/dbraw/zinc/11/06/90/413110690.db2.gz CQRSDEOWSNBBKV-QWHCGFSZSA-N 1 0 264.373 0.976 10 0 CCAERO O=C([C@H]1CCC[NH2+]C1)N1CCN(C[C@H]2CCCO2)CC1 ZINC000037799514 397385147 /nfs/dbraw/zinc/38/51/47/397385147.db2.gz VAPWUSAIPJVQSX-UONOGXRCSA-N 1 0 281.400 0.309 10 0 CCAERO Cc1cc(C(=O)NCC2C[NH2+]C2)c2cnn(C)c2n1 ZINC000261947929 143929614 /nfs/dbraw/zinc/92/96/14/143929614.db2.gz OXZDUYFFRHHGMF-UHFFFAOYSA-N 1 0 259.313 0.226 10 0 CCAERO Cc1ccccc1SCC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262111359 143938836 /nfs/dbraw/zinc/93/88/36/143938836.db2.gz FKQJNTGUGHRDFL-RYUDHWBXSA-N 1 0 280.393 0.784 10 0 CCAERO COc1cc2c(c(CNC[C@@H]3C[NH2+]C[C@@H]3O)c1)O[C@H](C)C2 ZINC000262153474 143942020 /nfs/dbraw/zinc/94/20/20/143942020.db2.gz RNTLZIAXHLLIMG-YVLXSGLVSA-N 1 0 292.379 0.689 10 0 CCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CC(=O)N2CCCC[C@@H]2C)C1 ZINC000368486585 144227804 /nfs/dbraw/zinc/22/78/04/144227804.db2.gz BZLFCLDBTIYXDG-RWMBFGLXSA-N 1 0 270.373 0.469 10 0 CCAERO COc1ccc(C(=O)N2CCO[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000369334957 144264770 /nfs/dbraw/zinc/26/47/70/144264770.db2.gz NLILYMKCHXOLBG-OLZOCXBDSA-N 1 0 262.309 0.508 10 0 CCAERO CCCN(CCC)S(=O)(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000383463340 397493217 /nfs/dbraw/zinc/49/32/17/397493217.db2.gz NDKVYTBHKYHLQC-MNOVXSKESA-N 1 0 263.407 0.775 10 0 CCAERO OC[C@H]1CCCC[N@H+](CCCN2CCOCC2)C1 ZINC000374052267 144426512 /nfs/dbraw/zinc/42/65/12/144426512.db2.gz UVNHVEBHAKNNJN-AWEZNQCLSA-N 1 0 256.390 0.803 10 0 CCAERO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1(O)CCC1 ZINC000408465904 144472259 /nfs/dbraw/zinc/47/22/59/144472259.db2.gz JVHANYNAHDAPKG-VXGBXAGGSA-N 1 0 290.429 0.742 10 0 CCAERO CCS(=O)(=O)CCc1cnc(N2CC[NH2+]CC2)s1 ZINC000584649636 397583678 /nfs/dbraw/zinc/58/36/78/397583678.db2.gz FXZNRTVRJSEAPS-UHFFFAOYSA-N 1 0 289.426 0.530 10 0 CCAERO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)NC(N)=O)C12CCCC2 ZINC000121219159 286331538 /nfs/dbraw/zinc/33/15/38/286331538.db2.gz OOABJDLKGCTJEH-WDEREUQCSA-N 1 0 283.372 0.851 10 0 CCAERO CCO[C@@H]1C[C@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C12CCC2 ZINC000333141166 286347738 /nfs/dbraw/zinc/34/77/38/286347738.db2.gz DAEUCVJUJBQCFG-ZDEQEGDKSA-N 1 0 297.399 0.308 10 0 CCAERO COC[C@]1(C(=O)NC[C@H]2CCC[C@H](C)O2)CCC[NH2+]1 ZINC000659361699 413447553 /nfs/dbraw/zinc/44/75/53/413447553.db2.gz MGXYHTNGCWXQIV-SCRDCRAPSA-N 1 0 270.373 0.829 10 0 CCAERO O=C([C@H]1COCCN1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000088372411 304456586 /nfs/dbraw/zinc/45/65/86/304456586.db2.gz YTFFDMDJBNIHHU-QWHCGFSZSA-N 1 0 267.373 0.062 10 0 CCAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)CC2(O)CCCCC2)C[C@@H]1C ZINC000173290067 287088707 /nfs/dbraw/zinc/08/87/07/287088707.db2.gz DYLPTVWDGJUNDF-UONOGXRCSA-N 1 0 298.427 0.985 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H](C)C(=O)N(C)C ZINC000173976993 287220536 /nfs/dbraw/zinc/22/05/36/287220536.db2.gz SPPXMDWWKPEGNJ-YNEHKIRRSA-N 1 0 296.415 0.731 10 0 CCAERO CC[C@@H]1C(=O)NCCN1C(=O)C1CCC([NH3+])CC1 ZINC000113221759 411703802 /nfs/dbraw/zinc/70/38/02/411703802.db2.gz SMWFIZPSLWETQL-VQXHTEKXSA-N 1 0 253.346 0.241 10 0 CCAERO C[C@H](C(=O)NC1CCCCC1)n1cc(C[NH3+])nn1 ZINC000050224691 411676294 /nfs/dbraw/zinc/67/62/94/411676294.db2.gz ACVCZVONSLEIQT-SECBINFHSA-N 1 0 251.334 0.747 10 0 CCAERO CC1CCC(CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)CC1 ZINC000063146365 411689111 /nfs/dbraw/zinc/68/91/11/411689111.db2.gz KZZTVGPGECKXTR-HTAVTVPLSA-N 1 0 290.429 0.691 10 0 CCAERO CC(C)([NH3+])c1cn(CC(=O)N2CCCCCC2)nn1 ZINC000070118276 411690087 /nfs/dbraw/zinc/69/00/87/411690087.db2.gz BUKTYQLSALCSMN-UHFFFAOYSA-N 1 0 265.361 0.875 10 0 CCAERO CC(C)[NH+](CCNC(=O)[C@H]1CNC(=O)C1)C(C)C ZINC000110358413 411701414 /nfs/dbraw/zinc/70/14/14/411701414.db2.gz PWGPRBNKOFQPNK-LLVKDONJSA-N 1 0 255.362 0.358 10 0 CCAERO CC1(C)[C@H]([NH2+]CC[C@]2(O)CCOC2)[C@H]2CCO[C@@H]21 ZINC000404149204 411791964 /nfs/dbraw/zinc/79/19/64/411791964.db2.gz NXMNQMWFBWEECI-NMKXLXIOSA-N 1 0 255.358 0.931 10 0 CCAERO Cc1cc(NC(=O)C2(C[NH3+])CCOCC2)nn1C ZINC000306042078 411744529 /nfs/dbraw/zinc/74/45/29/411744529.db2.gz YWNDGDHYDAKUNZ-UHFFFAOYSA-N 1 0 252.318 0.423 10 0 CCAERO COC[C@]1(C(=O)NCC[C@@H]2CCCO2)CC[NH2+]C1 ZINC000311022252 411747700 /nfs/dbraw/zinc/74/77/00/411747700.db2.gz CISKRHSROGJFFY-AAEUAGOBSA-N 1 0 256.346 0.298 10 0 CCAERO COc1ccncc1C[NH2+]CC1(O)CCOCC1 ZINC000311195454 411749550 /nfs/dbraw/zinc/74/95/50/411749550.db2.gz HWGVLEASEODWPX-UHFFFAOYSA-N 1 0 252.314 0.721 10 0 CCAERO O=C(N[C@H]1c2ccccc2C[C@@H]1O)[C@H]1CCC[NH2+]C1 ZINC000311305071 411750270 /nfs/dbraw/zinc/75/02/70/411750270.db2.gz LSERNWFFCVJJSR-UBHSHLNASA-N 1 0 260.337 0.761 10 0 CCAERO CN(Cc1ccco1)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131217521 411723431 /nfs/dbraw/zinc/72/34/31/411723431.db2.gz BMODDTHRCNRTDM-UHFFFAOYSA-N 1 0 265.357 0.922 10 0 CCAERO [NH3+]Cc1ccc(CNC(=O)[C@@H]2CNC(=O)C2)c(F)c1 ZINC000404485192 411795477 /nfs/dbraw/zinc/79/54/77/411795477.db2.gz MTLNMABRKWDOPG-JTQLQIEISA-N 1 0 265.288 0.037 10 0 CCAERO CC(C)O[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000404622433 411795708 /nfs/dbraw/zinc/79/57/08/411795708.db2.gz ATDNCFAYSUHJGG-IJLUTSLNSA-N 1 0 256.346 0.125 10 0 CCAERO CCO[C@@H]1CN(c2nc(OC)cc(OC)n2)C[C@H]1C[NH3+] ZINC000405241037 411799050 /nfs/dbraw/zinc/79/90/50/411799050.db2.gz BVEPJDUBLKRJHC-NXEZZACHSA-N 1 0 282.344 0.294 10 0 CCAERO CCOC(=O)N1CC[NH2+]C[C@H]1c1ccnc(N)c1 ZINC000616638583 411840017 /nfs/dbraw/zinc/84/00/17/411840017.db2.gz ZLTNRVJAVTUFMC-JTQLQIEISA-N 1 0 250.302 0.767 10 0 CCAERO Nc1cc([C@H]2CNc3ccccc3N2CC[NH3+])[nH]n1 ZINC000616583798 411841428 /nfs/dbraw/zinc/84/14/28/411841428.db2.gz BVMJOQFFOVGJIP-GFCCVEGCSA-N 1 0 258.329 0.924 10 0 CCAERO Nc1cc([C@@H]2CN(CC[NH3+])c3ccccc3N2)[nH]n1 ZINC000616693451 411842607 /nfs/dbraw/zinc/84/26/07/411842607.db2.gz SISJDYGVLXHQBT-NSHDSACASA-N 1 0 258.329 0.924 10 0 CCAERO NC(=O)COc1ccc(C[NH2+][C@H]2CN3CCC2CC3)cc1 ZINC000019946372 170936801 /nfs/dbraw/zinc/93/68/01/170936801.db2.gz VUAHCCUGCBZVAC-HNNXBMFYSA-N 1 0 289.379 0.735 10 0 CCAERO O=C1NCCN1CC[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000020048403 170978546 /nfs/dbraw/zinc/97/85/46/170978546.db2.gz HLLLBZWFKYBDJR-UHFFFAOYSA-N 1 0 291.351 0.615 10 0 CCAERO COc1cccc(C[NH2+]CCNC(C)=O)c1OC ZINC000020184874 171048206 /nfs/dbraw/zinc/04/82/06/171048206.db2.gz HQPZMKBRSYICIT-UHFFFAOYSA-N 1 0 252.314 0.930 10 0 CCAERO CN(c1nc(CC[NH3+])cs1)[C@H]1CCS(=O)(=O)C1 ZINC000020185318 171048440 /nfs/dbraw/zinc/04/84/40/171048440.db2.gz LIVLBEMOJBZOFA-VIFPVBQESA-N 1 0 275.399 0.268 10 0 CCAERO [NH3+]Cc1ccc(F)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000020188812 171053424 /nfs/dbraw/zinc/05/34/24/171053424.db2.gz XRGDFPBPNWQKIN-JTQLQIEISA-N 1 0 288.344 0.742 10 0 CCAERO C[NH2+]Cc1ccc(S(=O)(=O)NCCOC)cc1 ZINC000020188194 171053560 /nfs/dbraw/zinc/05/35/60/171053560.db2.gz PWMJQBKGWCVFPP-UHFFFAOYSA-N 1 0 258.343 0.331 10 0 CCAERO Cc1ccc(C[NH3+])cc1S(=O)(=O)NC[C@H]1CCCO1 ZINC000020189379 171055502 /nfs/dbraw/zinc/05/55/02/171055502.db2.gz CSCQHLXVKIWUIB-GFCCVEGCSA-N 1 0 284.381 0.911 10 0 CCAERO CC[C@@H]([NH2+]CCNS(C)(=O)=O)c1ccc(O)cc1 ZINC000020203267 171067860 /nfs/dbraw/zinc/06/78/60/171067860.db2.gz BWIBMXBFVBCDNV-GFCCVEGCSA-N 1 0 272.370 0.982 10 0 CCAERO [NH3+]CCCCS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000020223544 171086123 /nfs/dbraw/zinc/08/61/23/171086123.db2.gz LVPNFRBCOCPQLB-UHFFFAOYSA-N 1 0 271.338 0.970 10 0 CCAERO CCS(=O)(=O)Nc1ccc(N(C)CC[NH3+])cc1 ZINC000020224769 171087644 /nfs/dbraw/zinc/08/76/44/171087644.db2.gz AUQPYPWZGIQERM-UHFFFAOYSA-N 1 0 257.359 0.843 10 0 CCAERO C[C@H]1Cc2ccccc2N1S(=O)(=O)N1CC[NH2+]CC1 ZINC000020247535 171100910 /nfs/dbraw/zinc/10/09/10/171100910.db2.gz KUNULCBGYKJROJ-NSHDSACASA-N 1 0 281.381 0.588 10 0 CCAERO CCOCC(=O)N(CCC[NH3+])Cc1cccnc1 ZINC000020248744 171102016 /nfs/dbraw/zinc/10/20/16/171102016.db2.gz GGKFEFQQENFOPT-UHFFFAOYSA-N 1 0 251.330 0.796 10 0 CCAERO NC(=O)[C@H]1CCCN1Cc1ccc(C[NH3+])cc1F ZINC000020294509 171135547 /nfs/dbraw/zinc/13/55/47/171135547.db2.gz BXGXAILJKYOPFM-GFCCVEGCSA-N 1 0 251.305 0.734 10 0 CCAERO Cc1ccc(NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)c(F)c1 ZINC000020372479 171168597 /nfs/dbraw/zinc/16/85/97/171168597.db2.gz BEUVRPJDOYLTHZ-SNVBAGLBSA-N 1 0 288.344 0.835 10 0 CCAERO COC(=O)CN(C)S(=O)(=O)c1cccc([C@H](C)[NH3+])c1 ZINC000021787194 171323039 /nfs/dbraw/zinc/32/30/39/171323039.db2.gz UZFLQFFHVCRKAL-VIFPVBQESA-N 1 0 286.353 0.500 10 0 CCAERO [NH3+]Cc1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000022177368 171371604 /nfs/dbraw/zinc/37/16/04/171371604.db2.gz ROMUJMLKUZNKIE-NSHDSACASA-N 1 0 270.354 0.603 10 0 CCAERO COCCOCCCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653062039 412206392 /nfs/dbraw/zinc/20/63/92/412206392.db2.gz KHRZWMODEHCCLM-NXEZZACHSA-N 1 0 298.305 0.554 10 0 CCAERO Cn1cc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c2ccccc21 ZINC000653138974 412238670 /nfs/dbraw/zinc/23/86/70/412238670.db2.gz PPYZQTWJMNEAJS-HZMBPMFUSA-N 1 0 273.336 0.488 10 0 CCAERO CCc1cc(=NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)[nH][nH]1 ZINC000653346536 412292979 /nfs/dbraw/zinc/29/29/79/412292979.db2.gz ZOXWSKCYVNXION-HTQZYQBOSA-N 1 0 276.262 0.730 10 0 CCAERO CC1CCC([NH2+]Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000035053350 171953720 /nfs/dbraw/zinc/95/37/20/171953720.db2.gz QRQXNRNVSNOLNY-UHFFFAOYSA-N 1 0 265.357 0.752 10 0 CCAERO C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)C(=O)N(C)C ZINC000035138143 172005639 /nfs/dbraw/zinc/00/56/39/172005639.db2.gz IWNVUNBLWMLKSY-VIFPVBQESA-N 1 0 250.298 0.982 10 0 CCAERO Cc1ccc(C[NH2+]C2CCN(CC(N)=O)CC2)o1 ZINC000035255119 172084450 /nfs/dbraw/zinc/08/44/50/172084450.db2.gz RBOPWVHYECASLH-UHFFFAOYSA-N 1 0 251.330 0.627 10 0 CCAERO COc1cccc(C[NH2+]C2CCN(CC(N)=O)CC2)c1 ZINC000035255145 172084775 /nfs/dbraw/zinc/08/47/75/172084775.db2.gz QPJNFWYOBFJBOT-UHFFFAOYSA-N 1 0 277.368 0.735 10 0 CCAERO CS(=O)(=O)c1ccc(NCCCN2CC[NH2+]CC2)cc1 ZINC000035348172 172141510 /nfs/dbraw/zinc/14/15/10/172141510.db2.gz FMBPXWNVIQRXJG-UHFFFAOYSA-N 1 0 297.424 0.797 10 0 CCAERO C[NH+]1CCC(NS(=O)(=O)c2ccc(NN)cc2)CC1 ZINC000035354931 172145401 /nfs/dbraw/zinc/14/54/01/172145401.db2.gz DZADMHWZHGKNOR-UHFFFAOYSA-N 1 0 284.385 0.345 10 0 CCAERO C[NH2+]Cc1cccc(OC)c1OCC(=O)N(C)C ZINC000035413549 172186124 /nfs/dbraw/zinc/18/61/24/172186124.db2.gz VICQXEZVRSYPNR-UHFFFAOYSA-N 1 0 252.314 0.882 10 0 CCAERO CO[C@H]1C[C@@H](CN(C)C(=O)c2cncc(O)c2)[N@H+](C)C1 ZINC000285307554 196246687 /nfs/dbraw/zinc/24/66/87/196246687.db2.gz SPCRAZUZGQPRKH-AAEUAGOBSA-N 1 0 279.340 0.578 10 0 CCAERO CCOCCCNS(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000035679362 172349666 /nfs/dbraw/zinc/34/96/66/172349666.db2.gz AJUBXGZRHJUQEG-UHFFFAOYSA-N 1 0 292.426 0.954 10 0 CCAERO [NH3+]CCc1ccc(S(=O)(=O)N2CCC(O)CC2)s1 ZINC000035679285 172349793 /nfs/dbraw/zinc/34/97/93/172349793.db2.gz CLKKLLLOJWQRJL-UHFFFAOYSA-N 1 0 290.410 0.395 10 0 CCAERO Cc1c(C(=O)N[C@@H](C)[C@H]2CCCC[NH2+]2)cnn1C ZINC000035690146 172358786 /nfs/dbraw/zinc/35/87/86/172358786.db2.gz OETOVENQLUXXOG-JOYOIKCWSA-N 1 0 250.346 0.989 10 0 CCAERO CCN(CC(=O)NC)C(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000036134707 172457237 /nfs/dbraw/zinc/45/72/37/172457237.db2.gz PUSAWRHCBADCAA-SDDRHHMPSA-N 1 0 267.373 0.502 10 0 CCAERO CN(C(=O)Cc1ccccc1F)[C@@H]1C[NH2+]C[C@H]1O ZINC000036261206 172554124 /nfs/dbraw/zinc/55/41/24/172554124.db2.gz OAQNLCSYJVTGCV-VXGBXAGGSA-N 1 0 252.289 0.159 10 0 CCAERO O=c1cnc2ccccc2n1C[C@H](O)C[NH2+]C1CC1 ZINC000037372116 173161844 /nfs/dbraw/zinc/16/18/44/173161844.db2.gz PQKZTBLMGDNMDW-LLVKDONJSA-N 1 0 259.309 0.509 10 0 CCAERO O=c1cnc2ccccc2n1C[C@@H](O)C[NH2+]C1CC1 ZINC000037372118 173162057 /nfs/dbraw/zinc/16/20/57/173162057.db2.gz PQKZTBLMGDNMDW-NSHDSACASA-N 1 0 259.309 0.509 10 0 CCAERO COc1ccc(CC[NH3+])cc1OCC(=O)N(C)C ZINC000037721731 173639801 /nfs/dbraw/zinc/63/98/01/173639801.db2.gz AYGSBFMPRSVWII-UHFFFAOYSA-N 1 0 252.314 0.663 10 0 CCAERO CC[C@H](C)[NH2+]CC(=O)N[C@@H](C)CN1CCCC1=O ZINC000037769313 173700623 /nfs/dbraw/zinc/70/06/23/173700623.db2.gz CCSOUZMREHFAGO-QWRGUYRKSA-N 1 0 255.362 0.502 10 0 CCAERO CCOC(=O)[C@@H]1CSCCN1C(=O)C[C@@H](C)[NH3+] ZINC000037803882 173743429 /nfs/dbraw/zinc/74/34/29/173743429.db2.gz ZBYVSYSJZNSQDL-BDAKNGLRSA-N 1 0 260.359 0.231 10 0 CCAERO CCN(CCO)S(=O)(=O)c1ccc([C@H](C)[NH2+]C)cc1 ZINC000037900516 173828781 /nfs/dbraw/zinc/82/87/81/173828781.db2.gz MVIXTFCOKKVPKE-NSHDSACASA-N 1 0 286.397 0.970 10 0 CCAERO C[C@](C(N)=O)(c1ccccc1F)N1CCC[NH2+]CC1 ZINC000037950893 173891809 /nfs/dbraw/zinc/89/18/09/173891809.db2.gz QQHKHBQBTYVIDL-CQSZACIVSA-N 1 0 265.332 0.822 10 0 CCAERO CN(CC1CC1)S(=O)(=O)c1cc[nH+]c(NN)c1 ZINC000038009161 173974132 /nfs/dbraw/zinc/97/41/32/173974132.db2.gz OOGCWCRRGYXLEQ-UHFFFAOYSA-N 1 0 256.331 0.398 10 0 CCAERO C[C@H](C[NH2+][C@@H]1CC(=O)N(C)C1=O)N1CCCCC1 ZINC000038029199 174019243 /nfs/dbraw/zinc/01/92/43/174019243.db2.gz OVHYWCWESZNONZ-GHMZBOCLSA-N 1 0 253.346 0.208 10 0 CCAERO CCCOc1cccc(C[NH2+]CCS(N)(=O)=O)c1 ZINC000038038292 174038479 /nfs/dbraw/zinc/03/84/79/174038479.db2.gz PEEFGQIZIVWZNY-UHFFFAOYSA-N 1 0 272.370 0.854 10 0 CCAERO CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000038045783 174053802 /nfs/dbraw/zinc/05/38/02/174053802.db2.gz AFXRTBNSCSGVHG-VHSXEESVSA-N 1 0 257.334 0.237 10 0 CCAERO CS(=O)(=O)CCC[NH2+]CC(=O)Nc1ccccc1 ZINC000038048299 174058491 /nfs/dbraw/zinc/05/84/91/174058491.db2.gz CXLXUINJXFHWIM-UHFFFAOYSA-N 1 0 270.354 0.649 10 0 CCAERO Cc1[nH]c(=O)sc1S(=O)(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000038050246 174061762 /nfs/dbraw/zinc/06/17/62/174061762.db2.gz MTSIKIIFPXTYBA-HTQZYQBOSA-N 1 0 291.398 0.293 10 0 CCAERO c1cc(C[NH2+]C[C@@H]2COCCO2)cc2c1OCO2 ZINC000038060132 174069932 /nfs/dbraw/zinc/06/99/32/174069932.db2.gz BFWINDDHRMQDOL-LLVKDONJSA-N 1 0 251.282 0.920 10 0 CCAERO NC(=[NH2+])Cc1ccc(O[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000038084911 174095364 /nfs/dbraw/zinc/09/53/64/174095364.db2.gz IQOAOAZLIUVWBJ-LLVKDONJSA-N 1 0 268.338 0.731 10 0 CCAERO C[C@@H](O)CNC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000040459802 174269691 /nfs/dbraw/zinc/26/96/91/174269691.db2.gz XQSILGAROSXNIZ-SKDRFNHKSA-N 1 0 261.325 0.535 10 0 CCAERO CCC[C@H]([NH3+])C(=O)NCC1(S(=O)(=O)CC)CC1 ZINC000662707328 414744332 /nfs/dbraw/zinc/74/43/32/414744332.db2.gz JDYYRTTVTGLEBS-VIFPVBQESA-N 1 0 262.375 0.197 10 0 CCAERO [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[C@H]3COC[C@@H]3C2)C1 ZINC000662710762 414745049 /nfs/dbraw/zinc/74/50/49/414745049.db2.gz JITKOTDPCJKBII-ZDEQEGDKSA-N 1 0 252.358 0.999 10 0 CCAERO O=C([C@H]1C[NH2+]CCOC1)N1CCC[C@H](CCF)C1 ZINC000662879740 414865898 /nfs/dbraw/zinc/86/58/98/414865898.db2.gz NWWLZOSOYJXOJF-NEPJUHHUSA-N 1 0 258.337 0.821 10 0 CCAERO C[C@H](CNC(=O)[C@@H]1C[NH2+]CCOC1)c1ccccn1 ZINC000662843682 414836721 /nfs/dbraw/zinc/83/67/21/414836721.db2.gz UOTPHKRMKORUNK-VXGBXAGGSA-N 1 0 263.341 0.537 10 0 CCAERO COCc1cc(C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)no1 ZINC000662979444 414931892 /nfs/dbraw/zinc/93/18/92/414931892.db2.gz BHNMBKYUWUMWAV-MRVPVSSYSA-N 1 0 281.234 0.783 10 0 CCAERO Cc1cnc(C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)cn1 ZINC000662981137 414932435 /nfs/dbraw/zinc/93/24/35/414932435.db2.gz MOXXDWLXVOBSTM-MRVPVSSYSA-N 1 0 262.235 0.747 10 0 CCAERO Cc1cc(C)n(CC(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)n1 ZINC000662981999 414934223 /nfs/dbraw/zinc/93/42/23/414934223.db2.gz TXOFANOQGQVCNE-VIFPVBQESA-N 1 0 278.278 0.848 10 0 CCAERO Nc1ccc(=O)n(CC[N@H+](CCO)C2CCCC2)c1 ZINC000042483877 174759515 /nfs/dbraw/zinc/75/95/15/174759515.db2.gz OCKFODDVKWUXET-UHFFFAOYSA-N 1 0 265.357 0.667 10 0 CCAERO CN(CCC[NH3+])S(=O)(=O)NCCC1CCCC1 ZINC000042525429 174775294 /nfs/dbraw/zinc/77/52/94/174775294.db2.gz GJIBZUSQEKXFHT-UHFFFAOYSA-N 1 0 263.407 0.682 10 0 CCAERO C[C@]1(C(F)F)CN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000663007422 414947465 /nfs/dbraw/zinc/94/74/65/414947465.db2.gz HPHXQAFJAQLPBP-HOTUBEGUSA-N 1 0 262.300 0.996 10 0 CCAERO CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CO[C@H](C)CC(C)C ZINC000042562578 174798335 /nfs/dbraw/zinc/79/83/35/174798335.db2.gz YWVLCGCCIYLYCG-GRYCIOLGSA-N 1 0 260.378 0.523 10 0 CCAERO CNC(=O)[C@@H](C)[NH2+][C@H](C)C(=O)NC1CCCCC1 ZINC000042563069 174799394 /nfs/dbraw/zinc/79/93/94/174799394.db2.gz CFKIRBRHCXHLNW-NXEZZACHSA-N 1 0 255.362 0.548 10 0 CCAERO CCCc1nccnc1N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000663272369 415032791 /nfs/dbraw/zinc/03/27/91/415032791.db2.gz MPEQPBYVUSRUKL-ZDUSSCGKSA-N 1 0 275.400 0.913 10 0 CCAERO CN(CCN1CC[NH2+]CC1)c1nc2ccccc2[nH]1 ZINC000071151127 176044906 /nfs/dbraw/zinc/04/49/06/176044906.db2.gz UIIISPKJNAAOOK-UHFFFAOYSA-N 1 0 259.357 0.904 10 0 CCAERO COCC[N@H+](CCC(N)=S)CC(=O)N1CCCCC1 ZINC000071226236 176089765 /nfs/dbraw/zinc/08/97/65/176089765.db2.gz KLHVKIVFCBXXCC-UHFFFAOYSA-N 1 0 287.429 0.624 10 0 CCAERO C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C[NH3+])c2)CCO1 ZINC000071238655 176094100 /nfs/dbraw/zinc/09/41/00/176094100.db2.gz BYDNAKDRJNCSMG-SECBINFHSA-N 1 0 288.344 0.694 10 0 CCAERO COC[C@@H](O)C[NH2+][C@H]1CCN(CCc2ccccc2)C1 ZINC000071269110 176103037 /nfs/dbraw/zinc/10/30/37/176103037.db2.gz MMGXVZVIAHHHGS-HOTGVXAUSA-N 1 0 278.396 0.900 10 0 CCAERO Cn1ccnc1CNS(=O)(=O)c1ccccc1C[NH3+] ZINC000071275966 176106874 /nfs/dbraw/zinc/10/68/74/176106874.db2.gz PBGCEEXSMLWEDR-UHFFFAOYSA-N 1 0 280.353 0.357 10 0 CCAERO Cn1nccc1CNS(=O)(=O)c1cccc(C[NH3+])c1 ZINC000071334336 176126496 /nfs/dbraw/zinc/12/64/96/176126496.db2.gz QYPDNPVSWJCRJX-UHFFFAOYSA-N 1 0 280.353 0.357 10 0 CCAERO Cn1c(C[NH3+])nnc1SCc1ccc(C(N)=O)cc1 ZINC000071373643 176139191 /nfs/dbraw/zinc/13/91/91/176139191.db2.gz KDKUEIMIYXARKE-UHFFFAOYSA-N 1 0 277.353 0.665 10 0 CCAERO CN(CC[NH3+])CCCc1ccc2oc(=O)n(C)c2c1 ZINC000076362675 177003093 /nfs/dbraw/zinc/00/30/93/177003093.db2.gz VWTQGWWWWRREIT-UHFFFAOYSA-N 1 0 263.341 0.955 10 0 CCAERO CCOC(=O)N1CCN(C(=O)[C@@H](C)CC[NH3+])CC1 ZINC000076664080 177050127 /nfs/dbraw/zinc/05/01/27/177050127.db2.gz CLLDRUVDAHCNFZ-JTQLQIEISA-N 1 0 257.334 0.272 10 0 CCAERO C[C@H](CCC[NH3+])C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000076675234 177055771 /nfs/dbraw/zinc/05/57/71/177055771.db2.gz XULAMXUZPFGNHK-ZJUUUORDSA-N 1 0 262.375 0.007 10 0 CCAERO CC[C@@H](CCC[NH3+])C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000076675211 177055797 /nfs/dbraw/zinc/05/57/97/177055797.db2.gz HNWJZYOPXRSZBR-VHSXEESVSA-N 1 0 262.375 0.055 10 0 CCAERO CCCCOC[C@@H](O)C[NH2+][C@@H](C)C(=O)N(C)CC ZINC000227897732 269747956 /nfs/dbraw/zinc/74/79/56/269747956.db2.gz ZESRMDSUUCLQEW-RYUDHWBXSA-N 1 0 260.378 0.620 10 0 CCAERO C[C@@H]1CCCN(S(=O)(=O)N[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000038050392 287358500 /nfs/dbraw/zinc/35/85/00/287358500.db2.gz DXWAEMDTZONMQF-GRYCIOLGSA-N 1 0 275.418 0.823 10 0 CCAERO C[C@@H]1CCCN(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000171770598 287357247 /nfs/dbraw/zinc/35/72/47/287357247.db2.gz QCAMGNDWLKJBOH-CHWSQXEVSA-N 1 0 287.429 0.743 10 0 CCAERO CS(=O)(=O)c1cnn(-c2nccc(C[NH3+])c2Cl)c1 ZINC000725252215 545876586 /nfs/dbraw/zinc/87/65/86/545876586.db2.gz KNGFLTNIGOHUPV-UHFFFAOYSA-N 1 0 286.744 0.783 10 0 CCAERO CS(=O)(=O)c1cnn(Cc2ccccc2C(N)=[NH2+])c1 ZINC000725251631 545877433 /nfs/dbraw/zinc/87/74/33/545877433.db2.gz LGYKSWFUKTXWQS-UHFFFAOYSA-N 1 0 278.337 0.619 10 0 CCAERO CS(=O)(=O)c1cnn(-c2cccc3c2CC[NH2+]C3)c1 ZINC000725253405 545877927 /nfs/dbraw/zinc/87/79/27/545877927.db2.gz VBDDKFHQDSZARW-UHFFFAOYSA-N 1 0 277.349 0.922 10 0 CCAERO CC(C)(CCn1cc(S(C)(=O)=O)cn1)C(=[NH2+])NO ZINC000725252758 545878192 /nfs/dbraw/zinc/87/81/92/545878192.db2.gz WWCORTYCAPJDLA-UHFFFAOYSA-N 1 0 274.346 0.659 10 0 CCAERO CC[C@@H](C(N)=S)C(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725258310 545881802 /nfs/dbraw/zinc/88/18/02/545881802.db2.gz NXPRYWKAERJLJU-QMMMGPOBSA-N 1 0 267.358 0.278 10 0 CCAERO CCC[C@H](C)C(=O)N1CC(N2C[C@@H]([NH3+])CC2=O)C1 ZINC000725272927 545889496 /nfs/dbraw/zinc/88/94/96/545889496.db2.gz UJZVFQPPESPNEX-UWVGGRQHSA-N 1 0 253.346 0.193 10 0 CCAERO O=S(=O)(C[C@@]12CC[NH2+][C@@H]1CCCC2)NC1CC1 ZINC000725272914 545889594 /nfs/dbraw/zinc/88/95/94/545889594.db2.gz UDHNGBKOQFNAGQ-VXGBXAGGSA-N 1 0 258.387 0.991 10 0 CCAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000054072656 544441326 /nfs/dbraw/zinc/44/13/26/544441326.db2.gz RWKBZCNGFMDOIA-DTWKUNHWSA-N 1 0 264.329 0.962 10 0 CCAERO CN(C(=O)[C@H]1CCNCC1(F)F)[C@H]1CCC[NH2+]CC1 ZINC000336176397 228203971 /nfs/dbraw/zinc/20/39/71/228203971.db2.gz OVAPFNXBCCNCNQ-WDEREUQCSA-N 1 0 275.343 0.832 10 0 CCAERO CCN(CC(=O)N(C)C)C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000094647521 544545759 /nfs/dbraw/zinc/54/57/59/544545759.db2.gz QBDDYDOCSRTAGM-QWRGUYRKSA-N 1 0 255.362 0.311 10 0 CCAERO CCN(CC)C(=O)CN(C)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089457274 544514088 /nfs/dbraw/zinc/51/40/88/544514088.db2.gz YOJYWRDVAYGWCX-RYUDHWBXSA-N 1 0 269.389 0.688 10 0 CCAERO CC(C)(CNC(=O)[C@H]1CCC[C@@H]1C[NH3+])N1CCOCC1 ZINC000089459355 544514132 /nfs/dbraw/zinc/51/41/32/544514132.db2.gz SEWYUGAJVZZPAA-OLZOCXBDSA-N 1 0 283.416 0.588 10 0 CCAERO O=C(N[C@@H]1CCCOC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111247406 544561842 /nfs/dbraw/zinc/56/18/42/544561842.db2.gz OQPZCAFWJXBDSH-SCZZXKLOSA-N 1 0 266.263 0.824 10 0 CCAERO O=C(COC1CC[NH2+]CC1)N[C@H]1CCC[C@H](O)C1 ZINC000111757675 544562743 /nfs/dbraw/zinc/56/27/43/544562743.db2.gz AXHCSIBPCKQWGV-QWRGUYRKSA-N 1 0 256.346 0.175 10 0 CCAERO CC(C)(C[NH2+][C@@H]1CCCC[C@H]1O)NS(C)(=O)=O ZINC000111741003 544562880 /nfs/dbraw/zinc/56/28/80/544562880.db2.gz BLLVVMHGTIUIPC-NXEZZACHSA-N 1 0 264.391 0.207 10 0 CCAERO CO[C@@H]1CN(CC(=O)Nc2cc(C)on2)[C@](C)(C[NH3+])C1 ZINC000630361933 419463564 /nfs/dbraw/zinc/46/35/64/419463564.db2.gz NZSHWPBCMPGNAB-GWCFXTLKSA-N 1 0 282.344 0.360 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCCCn1ccnn1 ZINC000127134179 544602163 /nfs/dbraw/zinc/60/21/63/544602163.db2.gz KAOMELRPKGSGFR-WDEREUQCSA-N 1 0 251.334 0.159 10 0 CCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCCn1ccnn1 ZINC000127265129 544605092 /nfs/dbraw/zinc/60/50/92/544605092.db2.gz BSJXAFZCAIHLLP-MNOVXSKESA-N 1 0 251.334 0.173 10 0 CCAERO CC(C)(C)NC(=O)CCNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000135365371 544634796 /nfs/dbraw/zinc/63/47/96/544634796.db2.gz HSZFAHMSUNVDHV-WDEREUQCSA-N 1 0 269.389 0.782 10 0 CCAERO CCN1CCO[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000157583342 544684667 /nfs/dbraw/zinc/68/46/67/544684667.db2.gz BJRCVJBQMOESAL-RBSFLKMASA-N 1 0 267.417 0.924 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)Nc1ccc(OCC(N)=O)cc1 ZINC000136343316 544638866 /nfs/dbraw/zinc/63/88/66/544638866.db2.gz STDLVFILJTUTLN-GFCCVEGCSA-N 1 0 279.340 0.863 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCN(C)C(=O)C1(C)C ZINC000136489892 544639440 /nfs/dbraw/zinc/63/94/40/544639440.db2.gz FFTPMUAZNNJMQM-SNVBAGLBSA-N 1 0 255.362 0.439 10 0 CCAERO CCN1CCO[C@H](C[NH2+][C@@H](C)c2cnccn2)C1 ZINC000165249935 544720721 /nfs/dbraw/zinc/72/07/21/544720721.db2.gz FRKQKDOHPMZTJW-NWDGAFQWSA-N 1 0 250.346 0.848 10 0 CCAERO CNC(=O)[C@H]1CCCN1C(=O)NCCC1CC[NH+](C)CC1 ZINC000158097953 544688003 /nfs/dbraw/zinc/68/80/03/544688003.db2.gz ZIAXDNGRCSBECZ-CYBMUJFWSA-N 1 0 296.415 0.638 10 0 CCAERO CNC(=O)[C@H]([NH2+]CC(=O)Nc1ccc(OC)cc1)C(C)C ZINC000183644014 544768868 /nfs/dbraw/zinc/76/88/68/544768868.db2.gz QTAHSOMCJHSFIK-CQSZACIVSA-N 1 0 293.367 0.994 10 0 CCAERO CNC(=O)[C@H]([NH2+]CC(=O)NCCC(C)(C)C)C(C)C ZINC000183643645 544769224 /nfs/dbraw/zinc/76/92/24/544769224.db2.gz PASDMLSLFMBZLP-GFCCVEGCSA-N 1 0 271.405 0.899 10 0 CCAERO O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000223760953 544826303 /nfs/dbraw/zinc/82/63/03/544826303.db2.gz HVGXFBVJPPCNOZ-FXPVBKGRSA-N 1 0 280.290 0.948 10 0 CCAERO CN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000227392742 544835199 /nfs/dbraw/zinc/83/51/99/544835199.db2.gz SCIAUGNXSSKKEU-HBNTYKKESA-N 1 0 274.386 0.007 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000226917077 544831034 /nfs/dbraw/zinc/83/10/34/544831034.db2.gz MXHSXUXDNCFBLR-RNJOBUHISA-N 1 0 279.384 0.502 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H](C)C(=O)NC(C)(C)C ZINC000229070556 544847194 /nfs/dbraw/zinc/84/71/94/544847194.db2.gz LRXLUROMNFJJKF-ZJUUUORDSA-N 1 0 257.378 0.779 10 0 CCAERO CNC(=O)C(C)(C)CNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000230398170 544854280 /nfs/dbraw/zinc/85/42/80/544854280.db2.gz NBKRXRCDZQKHOP-UWVGGRQHSA-N 1 0 255.362 0.263 10 0 CCAERO Cc1cnc([C@@H](C)NC(=O)C(C)(C)N2CC[NH2+]CC2)o1 ZINC000231743599 544860450 /nfs/dbraw/zinc/86/04/50/544860450.db2.gz CZIDXBUMTHBPRD-LLVKDONJSA-N 1 0 280.372 0.844 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CCn1ccccc1=O ZINC000237990791 544902626 /nfs/dbraw/zinc/90/26/26/544902626.db2.gz 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CC(C)C[N@@H+]1CCO[C@H](COC(=O)[C@H]2CNC(=O)C2)C1 ZINC000119297735 614100866 /nfs/dbraw/zinc/10/08/66/614100866.db2.gz GCYLCAFQSZYTOS-NEPJUHHUSA-N 1 0 284.356 0.023 10 0 CCAERO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1cnn(C)n1)C2 ZINC000888097892 614175166 /nfs/dbraw/zinc/17/51/66/614175166.db2.gz SEXNDHUWLRFQFH-KBXIAJHMSA-N 1 0 293.415 0.384 10 0 CCAERO CC(C)[N@H+]1C[C@H](NC(=O)C2=COCCO2)[C@@H](C)C1 ZINC000155488570 614399728 /nfs/dbraw/zinc/39/97/28/614399728.db2.gz OSLMQQFYEFEUDX-QWRGUYRKSA-N 1 0 254.330 0.720 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1cnn(C)n1 ZINC000826683776 615566075 /nfs/dbraw/zinc/56/60/75/615566075.db2.gz CBPSALYKEMPKFU-KGLIPLIRSA-N 1 0 291.399 0.833 10 0 CCAERO C[NH+](C)C[C@@H]1CN(C(=O)c2nccnc2Cl)CCO1 ZINC000906720733 615930310 /nfs/dbraw/zinc/93/03/10/615930310.db2.gz HCLMBMRTQBIULY-SECBINFHSA-N 1 0 284.747 0.533 10 0 CCAERO COC(=O)[C@@H]1CCCCN1C(=O)C[C@H]([NH3+])C1CC1 ZINC000137314350 616282256 /nfs/dbraw/zinc/28/22/56/616282256.db2.gz MVGMHJBZTZQMQU-QWRGUYRKSA-N 1 0 254.330 0.668 10 0 CCAERO COCCN1CC[N@H+](CCC2OCCO2)C[C@H]1C ZINC000124174421 616370661 /nfs/dbraw/zinc/37/06/61/616370661.db2.gz XVMASGDYVQVHQG-GFCCVEGCSA-N 1 0 258.362 0.402 10 0 CCAERO CO[C@@H]1C[NH2+][C@H](C(=O)NCc2cn3cc(C)ccc3n2)C1 ZINC000886052251 616781731 /nfs/dbraw/zinc/78/17/31/616781731.db2.gz HNSMWAJFLNFISE-STQMWFEESA-N 1 0 288.351 0.636 10 0 CCAERO COC(=O)c1cn(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)nn1 ZINC000153218063 616962948 /nfs/dbraw/zinc/96/29/48/616962948.db2.gz TYNZTABRBPJEPR-GHMZBOCLSA-N 1 0 279.344 0.191 10 0 CCAERO O=C(Nc1ccc2c(c1)OCCCO2)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000020433997 625290784 /nfs/dbraw/zinc/29/07/84/625290784.db2.gz MYDDIDCQXYFSDI-MNOVXSKESA-N 1 0 278.308 0.509 10 0 CCAERO CC[NH2+]CC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000044651405 622696727 /nfs/dbraw/zinc/69/67/27/622696727.db2.gz QIUSXXBPXPFLBJ-SNVBAGLBSA-N 1 0 284.381 0.877 10 0 CCAERO Cn1ncc(C(=O)NC[C@H]2CC[NH2+]C2)c1Br ZINC000259251492 622702800 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ZINC000235280057 623146597 /nfs/dbraw/zinc/14/65/97/623146597.db2.gz JYTCFOIFVBNWLI-GJMOJQLCSA-N 1 0 254.252 0.414 10 0 CCAERO CCOC(=O)N1CCC([NH2+]C[C@H]2CN(CC)CCO2)CC1 ZINC000092052021 623409596 /nfs/dbraw/zinc/40/95/96/623409596.db2.gz BCJUTFHZEDRFAU-AWEZNQCLSA-N 1 0 299.415 0.918 10 0 CCAERO O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000299926173 625668828 /nfs/dbraw/zinc/66/88/28/625668828.db2.gz KMSBDCMGTFFSQA-REWJHTLYSA-N 1 0 254.374 0.743 10 0 CCAERO OC[C@H](O)C[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000090282936 624482219 /nfs/dbraw/zinc/48/22/19/624482219.db2.gz QHIBSHRUSOSHHT-MNOVXSKESA-N 1 0 279.258 0.682 10 0 CCAERO O=C(O[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CNC(=O)C1 ZINC000247166733 624637801 /nfs/dbraw/zinc/63/78/01/624637801.db2.gz QVFPANHLORTJRB-KBPBESRZSA-N 1 0 288.347 0.940 10 0 CCAERO Cc1c(CCC(=O)N[C@H]2C[NH+]3CCC2CC3)cnn1C ZINC000222539032 631571964 /nfs/dbraw/zinc/57/19/64/631571964.db2.gz AXDZDRQHDDOKKF-AWEZNQCLSA-N 1 0 276.384 0.872 10 0 CCAERO O=C1OC2(CCC3(CC2)OCCO3)[C@H]2C[NH2+]CCN12 ZINC000247948097 631732907 /nfs/dbraw/zinc/73/29/07/631732907.db2.gz ROCRGYZGLAAPHB-SNVBAGLBSA-N 1 0 268.313 0.466 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)C(F)(F)c1ccc(F)cc1 ZINC000262054268 631827279 /nfs/dbraw/zinc/82/72/79/631827279.db2.gz AJCVOFIXXFRTIO-KCJUWKMLSA-N 1 0 288.269 0.614 10 0 CCAERO C[C@H]1OCC[C@H]1[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000147692506 632111336 /nfs/dbraw/zinc/11/13/36/632111336.db2.gz OKLSKYSSHVDGLX-BXKDBHETSA-N 1 0 270.354 0.601 10 0 CCAERO C[NH2+]C1CCN(C(=O)[C@@H](CC(C)C)NC(=O)OC)CC1 ZINC000179136931 633027462 /nfs/dbraw/zinc/02/74/62/633027462.db2.gz CCEDWXOFICAIAI-GFCCVEGCSA-N 1 0 285.388 0.968 10 0 CCAERO C[NH+](C)C[C@@H]1CN(C(=O)C[C@@H]2CCCOC2)CCO1 ZINC000193286058 633154186 /nfs/dbraw/zinc/15/41/86/633154186.db2.gz FITXZNVMCGGTHZ-QWHCGFSZSA-N 1 0 270.373 0.592 10 0 CCAERO C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000149667235 635437656 /nfs/dbraw/zinc/43/76/56/635437656.db2.gz DZNSZCKTDGPLSZ-GDLCADMTSA-N 1 0 299.392 0.891 10 0 CCAERO C[C@@H](CCC[NH+](C)C)NC(=O)c1cc2n(n1)CCO2 ZINC000223825726 636908394 /nfs/dbraw/zinc/90/83/94/636908394.db2.gz IEBKSMLMICROGZ-JTQLQIEISA-N 1 0 266.345 0.736 10 0 CCAERO C[C@H]1CCC[C@@](CNC(=O)[C@@H]([NH3+])CC(=O)[O-])([NH+](C)C)C1 ZINC000224714011 636922811 /nfs/dbraw/zinc/92/28/11/636922811.db2.gz HBHJQBLRJLIENS-COPLHBTASA-N 1 0 285.388 0.415 10 0 CCAERO O=C(NC[C@H](O)C(F)(F)F)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000225389328 636946604 /nfs/dbraw/zinc/94/66/04/636946604.db2.gz TUODVCKMNBDJNY-XKNYDFJKSA-N 1 0 280.290 0.947 10 0 CCAERO [NH3+]Cc1ccc(C(=O)NC[C@@H](O)C(F)(F)F)o1 ZINC000226320865 636977207 /nfs/dbraw/zinc/97/72/07/636977207.db2.gz IFEZKFHWOQKAGP-SSDOTTSWSA-N 1 0 252.192 0.391 10 0 CCAERO CO[C@H](c1noc(C[C@@H]2COCC[NH2+]2)n1)C1CC1 ZINC000227334352 637019310 /nfs/dbraw/zinc/01/93/10/637019310.db2.gz CRSSQWSISDESEN-KOLCDFICSA-N 1 0 253.302 0.698 10 0 CCAERO COC(=O)c1cncc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1 ZINC000227464624 637026595 /nfs/dbraw/zinc/02/65/95/637026595.db2.gz PFSBSBGCUASWPV-QWRGUYRKSA-N 1 0 276.340 0.936 10 0 CCAERO CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000228695972 637069202 /nfs/dbraw/zinc/06/92/02/637069202.db2.gz SPYREDIVQDWUNM-WOPDTQHZSA-N 1 0 270.373 0.984 10 0 CCAERO CC[NH2+][C@@H](C)CC(=O)N[C@H](C)C(=O)NCC(C)C ZINC000229077048 637097478 /nfs/dbraw/zinc/09/74/78/637097478.db2.gz PZGQKCWZHMRQQT-WDEREUQCSA-N 1 0 257.378 0.651 10 0 CCAERO C[C@H]1CN(C(=O)CN2CC[N@@H+]3CCC[C@@H]3C2)CCO1 ZINC000171642130 637137730 /nfs/dbraw/zinc/13/77/30/637137730.db2.gz PWOBSWGJUVPBEJ-QWHCGFSZSA-N 1 0 267.373 0.014 10 0 CCAERO COC1CC([NH2+]C2CCN(C(=O)N(C)C)CC2)C1 ZINC000230674085 637180012 /nfs/dbraw/zinc/18/00/12/637180012.db2.gz LLOSFJYTPLFGPH-UHFFFAOYSA-N 1 0 255.362 0.899 10 0 CCAERO COC(=O)N[C@@H](C(=O)NCC[NH2+]C(C)(C)C)C(C)C ZINC000174238745 637250764 /nfs/dbraw/zinc/25/07/64/637250764.db2.gz BYVZIPVYQCFERO-SNVBAGLBSA-N 1 0 273.377 0.871 10 0 CCAERO CC1(C)CCC[NH2+][C@H]1C(=O)NC[C@H](O)C(F)(F)F ZINC000232936682 638159396 /nfs/dbraw/zinc/15/93/96/638159396.db2.gz IABXMASYIRULAW-YUMQZZPRSA-N 1 0 268.279 0.804 10 0 CCAERO C[NH+](C)[C@@H]1CCN(Cn2nnc3ccccc3c2=O)C1 ZINC000170842896 638208432 /nfs/dbraw/zinc/20/84/32/638208432.db2.gz QLPZENNKGHXIKR-LLVKDONJSA-N 1 0 273.340 0.385 10 0 CCAERO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)CCO1 ZINC000248038034 638322369 /nfs/dbraw/zinc/32/23/69/638322369.db2.gz SDJBYQFQKMGIFX-IJEWVQPXSA-N 1 0 296.411 0.861 10 0 CCAERO O[C@H](C[NH2+][C@H]1COc2ccccc21)Cn1cccn1 ZINC000070529812 638493035 /nfs/dbraw/zinc/49/30/35/638493035.db2.gz GOQYWIQNERXIFP-YPMHNXCESA-N 1 0 259.309 0.967 10 0 CCAERO NC(=O)[C@]1([NH3+])CCC[C@@H](n2cc(Br)cn2)C1 ZINC000086604719 639855371 /nfs/dbraw/zinc/85/53/71/639855371.db2.gz LFZZJFINZWORKF-SCZZXKLOSA-N 1 0 287.161 0.944 10 0 CCAERO C[C@]1(C(=O)NCC(=O)NCc2ccccc2)CCCC[NH2+]1 ZINC000136174113 644732832 /nfs/dbraw/zinc/73/28/32/644732832.db2.gz HYYNTDOUXHNHDO-MRXNPFEDSA-N 1 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BPRPJKJOROKCNQ-NSHDSACASA-N 1 0 265.361 0.282 10 0 CCAERO CNC(=O)c1ccc(N2CCCC[C@H]2C[NH2+]C)nn1 ZINC000095013050 649751841 /nfs/dbraw/zinc/75/18/41/649751841.db2.gz KUKZZTJNYKIUPJ-JTQLQIEISA-N 1 0 263.345 0.415 10 0 CCAERO CCNC(=O)[C@H](C)NC(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000250314665 649759107 /nfs/dbraw/zinc/75/91/07/649759107.db2.gz MGWMEDXKXNCQCQ-GARJFASQSA-N 1 0 255.362 0.392 10 0 CCAERO NC(=O)c1ccc(NC(=O)c2n[nH]c3c2C[NH2+]CC3)cc1 ZINC000082807160 178308547 /nfs/dbraw/zinc/30/85/47/178308547.db2.gz KHIYVGFBEMYSKB-UHFFFAOYSA-N 1 0 285.307 0.407 10 0 CCAERO CC1(CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)COC1 ZINC000094722351 349572973 /nfs/dbraw/zinc/57/29/73/349572973.db2.gz AJRVZELUNFZIMH-CYBMUJFWSA-N 1 0 260.337 0.854 10 0 CCAERO C[NH2+]Cc1nc2cc(S(C)(=O)=O)ccc2n1C ZINC000083253279 178370121 /nfs/dbraw/zinc/37/01/21/178370121.db2.gz FFUFUQJLQAEQDP-UHFFFAOYSA-N 1 0 253.327 0.696 10 0 CCAERO C[C@H](c1cnccn1)S(=O)(=O)NC[C@H]1CCC[NH2+]1 ZINC000095068159 349585377 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350219713 /nfs/dbraw/zinc/21/97/13/350219713.db2.gz HRAVPFRBGSYXHN-UHFFFAOYSA-N 1 0 285.432 0.801 10 0 CCAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H]2CO)C1 ZINC000129471332 350214790 /nfs/dbraw/zinc/21/47/90/350214790.db2.gz YWRHWODYSHEZSN-QJPTWQEYSA-N 1 0 255.362 0.635 10 0 CCAERO CCN(C)C(=O)CCN1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000130349021 350234733 /nfs/dbraw/zinc/23/47/33/350234733.db2.gz SAPUZCXRQHWOAD-CHWSQXEVSA-N 1 0 271.405 0.242 10 0 CCAERO CC(=O)NCCNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000132496422 350309613 /nfs/dbraw/zinc/30/96/13/350309613.db2.gz KGDKCUJQIMMFSR-PWSUYJOCSA-N 1 0 270.377 0.150 10 0 CCAERO Cc1ccc([C@H]2CN(C(=O)[C@@H]3CN(C)CCO3)CCO2)o1 ZINC000134166082 350355903 /nfs/dbraw/zinc/35/59/03/350355903.db2.gz LSACIMMHPVHTTG-KGLIPLIRSA-N 1 0 294.351 0.819 10 0 CCAERO COc1c(C[NH2+][C@H]2CCCN(C)C2)c(C)nn1C ZINC000134140554 350356094 /nfs/dbraw/zinc/35/60/94/350356094.db2.gz XYWDXNUYDJQBJG-NSHDSACASA-N 1 0 252.362 0.921 10 0 CCAERO CCC[C@H](O)C[NH2+]C[C@@H](O)COCc1ccco1 ZINC000134416512 350363751 /nfs/dbraw/zinc/36/37/51/350363751.db2.gz QFTIGLZODKOGRB-NWDGAFQWSA-N 1 0 257.330 0.908 10 0 CCAERO CN(C)C(=O)N1CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000136164373 350416335 /nfs/dbraw/zinc/41/63/35/350416335.db2.gz NSPZUJKOOJVUSY-CQSZACIVSA-N 1 0 282.388 0.344 10 0 CCAERO COCCOCCCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000136148146 350416765 /nfs/dbraw/zinc/41/67/65/350416765.db2.gz OSKOYMBLXUOVGI-ZDUSSCGKSA-N 1 0 258.362 0.688 10 0 CCAERO COC(=O)C1CCN(C(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000136305795 350420717 /nfs/dbraw/zinc/42/07/17/350420717.db2.gz ITISGDJPLJZTCX-LLVKDONJSA-N 1 0 256.346 0.771 10 0 CCAERO CC(C)OC[C@@H](O)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105903800 186087100 /nfs/dbraw/zinc/08/71/00/186087100.db2.gz XWJHHEJEAIJTKE-KBPBESRZSA-N 1 0 282.388 0.776 10 0 CCAERO CCCCNC(=O)[C@@H](C)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105925822 186091124 /nfs/dbraw/zinc/09/11/24/186091124.db2.gz LIQBOASOMDOIDI-CHWSQXEVSA-N 1 0 271.405 0.554 10 0 CCAERO CCCCCNC(=O)[C@H](C)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105926002 186092850 /nfs/dbraw/zinc/09/28/50/186092850.db2.gz VPZVXADSWZROPU-UONOGXRCSA-N 1 0 285.432 0.944 10 0 CCAERO C[NH+](C)C[C@@H]1CN(Cc2ccc(C(N)=O)cc2)CCO1 ZINC000105926110 186092999 /nfs/dbraw/zinc/09/29/99/186092999.db2.gz YMMUPWRVTTWXGK-CQSZACIVSA-N 1 0 277.368 0.548 10 0 CCAERO COCCOCCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106460539 186118426 /nfs/dbraw/zinc/11/84/26/186118426.db2.gz SSSCKLHKEMKULO-HNNXBMFYSA-N 1 0 294.395 0.939 10 0 CCAERO CC[N@H+](CC(=O)N1CCN(CCOC)[C@H](C)C1)C1CC1 ZINC000152749675 350540352 /nfs/dbraw/zinc/54/03/52/350540352.db2.gz CQJGVKZHQZLTOJ-CYBMUJFWSA-N 1 0 283.416 0.650 10 0 CCAERO O=C(NCc1cccc(OC(F)F)c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000154337783 350584886 /nfs/dbraw/zinc/58/48/86/350584886.db2.gz NNGUQNWDVWGLRV-KOLCDFICSA-N 1 0 286.278 0.627 10 0 CCAERO C[NH+](C)C[C@H]1CN(C(=O)C[C@H]2CCCCO2)CCO1 ZINC000155252726 350613635 /nfs/dbraw/zinc/61/36/35/350613635.db2.gz OOPQTEWMVZLWRL-OLZOCXBDSA-N 1 0 270.373 0.735 10 0 CCAERO C[NH+](C)C[C@@H]1CN(C(=O)C[C@@H]2CCCCO2)CCO1 ZINC000155252420 350613766 /nfs/dbraw/zinc/61/37/66/350613766.db2.gz OOPQTEWMVZLWRL-QWHCGFSZSA-N 1 0 270.373 0.735 10 0 CCAERO CC(C)C(=O)NCC[N@H+](C)C[C@H](O)COC(C)(C)C ZINC000157346417 350643462 /nfs/dbraw/zinc/64/34/62/350643462.db2.gz BKUODHISNILJFR-LBPRGKRZSA-N 1 0 274.405 0.866 10 0 CCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000156759012 350634795 /nfs/dbraw/zinc/63/47/95/350634795.db2.gz JTEXNMLXYKTIIE-CHWSQXEVSA-N 1 0 298.431 0.883 10 0 CCAERO COCCOCCCCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000159222860 350672310 /nfs/dbraw/zinc/67/23/10/350672310.db2.gz TYHHRWDWEDNCBQ-ZDUSSCGKSA-N 1 0 272.389 0.936 10 0 CCAERO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000159053084 350667378 /nfs/dbraw/zinc/66/73/78/350667378.db2.gz GVVSZLBNFCMMOK-GFCCVEGCSA-N 1 0 294.403 0.575 10 0 CCAERO [NH3+]Cc1c(CN2CCOCC2)cccc1[N+](=O)[O-] ZINC000165092644 350786912 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ZINC000171973430 350948409 /nfs/dbraw/zinc/94/84/09/350948409.db2.gz UHNOMLFXALGYSQ-OLZOCXBDSA-N 1 0 253.346 0.836 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCCC(=O)NC(N)=O ZINC000172083134 350957608 /nfs/dbraw/zinc/95/76/08/350957608.db2.gz UZTIGDLPUDWXGU-WDEREUQCSA-N 1 0 268.361 0.130 10 0 CCAERO CCOCCS(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1CC ZINC000173726369 351052175 /nfs/dbraw/zinc/05/21/75/351052175.db2.gz JSMRWIGBKUHXQQ-CHWSQXEVSA-N 1 0 290.429 0.911 10 0 CCAERO CCn1c(C)nnc1CN1CCC[C@H](CC(N)=O)C1 ZINC000175241902 351123404 /nfs/dbraw/zinc/12/34/04/351123404.db2.gz OFEHCPBZSMTSRW-LLVKDONJSA-N 1 0 265.361 0.694 10 0 CCAERO CC[NH+]1CCC(CCNC(=O)[C@@H]2CNC(=O)C2)CC1 ZINC000174111351 351070173 /nfs/dbraw/zinc/07/01/73/351070173.db2.gz NRAKKRLOBOBGHU-LBPRGKRZSA-N 1 0 267.373 0.361 10 0 CCAERO COC[C@@H]1CN(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CCO1 ZINC000176838058 351187487 /nfs/dbraw/zinc/18/74/87/351187487.db2.gz QEFRGGDPNLCMJD-IHRRRGAJSA-N 1 0 299.415 0.772 10 0 CCAERO CCOCCOCC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000177001382 351191444 /nfs/dbraw/zinc/19/14/44/351191444.db2.gz DUOVLEZETNPCRY-CYBMUJFWSA-N 1 0 272.389 0.982 10 0 CCAERO O=C1NCCCC[C@@H]1[N@@H+]1CCCN(C2CC2)CC1 ZINC000179301703 351263236 /nfs/dbraw/zinc/26/32/36/351263236.db2.gz AHLHYWZMXZNQMB-ZDUSSCGKSA-N 1 0 251.374 0.825 10 0 CCAERO C[NH2+]CCCC(=O)N1CCCN(c2cccnn2)CC1 ZINC000178770345 351245856 /nfs/dbraw/zinc/24/58/56/351245856.db2.gz DJYYPFDAPRDWGK-UHFFFAOYSA-N 1 0 277.372 0.515 10 0 CCAERO O=C1CCCN1C[C@@H](O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000178972593 351255939 /nfs/dbraw/zinc/25/59/39/351255939.db2.gz RXUAUFFKPUIYFH-KBPBESRZSA-N 1 0 281.400 0.140 10 0 CCAERO CC(C)[C@H](C)NC(=O)C[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000177223305 351198412 /nfs/dbraw/zinc/19/84/12/351198412.db2.gz MURANZBGFWDGHJ-KKUMJFAQSA-N 1 0 297.443 0.800 10 0 CCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1nnc[nH]1 ZINC000177240886 351198467 /nfs/dbraw/zinc/19/84/67/351198467.db2.gz RFFSUQNSEKBKMY-NWDGAFQWSA-N 1 0 277.372 0.823 10 0 CCAERO O=C(CCc1nnc[nH]1)N1CC[NH+](C2CCOCC2)CC1 ZINC000177247928 351198582 /nfs/dbraw/zinc/19/85/82/351198582.db2.gz CRQLBNLWIGCIJM-UHFFFAOYSA-N 1 0 293.371 0.061 10 0 CCAERO Cc1nnc([C@@H]2CN(CCC[NH+]3CCCC3)CCO2)[nH]1 ZINC000179271586 351262675 /nfs/dbraw/zinc/26/26/75/351262675.db2.gz MEABSAGTUTWHQF-ZDUSSCGKSA-N 1 0 279.388 0.972 10 0 CCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NCCC(=O)OC ZINC000180832852 351292903 /nfs/dbraw/zinc/29/29/03/351292903.db2.gz AUQGSDUWZQKJBI-QWHCGFSZSA-N 1 0 297.399 0.224 10 0 CCAERO CN1C(=S)N=NC1CCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000180951173 351295732 /nfs/dbraw/zinc/29/57/32/351295732.db2.gz CSVCYLYCFSJDKB-GFCCVEGCSA-N 1 0 283.401 0.295 10 0 CCAERO CCC[C@@H](C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1)[NH+](C)C ZINC000181182974 351306098 /nfs/dbraw/zinc/30/60/98/351306098.db2.gz ZUHQCIRWXVPAGL-AAEUAGOBSA-N 1 0 281.400 0.844 10 0 CCAERO CC[C@@H]1CN(C(=O)Nc2cccnn2)CC[N@@H+]1C[C@@H](C)O ZINC000181233698 351308668 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CCOc1ncccc1CNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000189206371 351657982 /nfs/dbraw/zinc/65/79/82/351657982.db2.gz QYNKCXMXJMQVDM-NWDGAFQWSA-N 1 0 279.340 0.473 10 0 CCAERO O=C(COC[C@@H]1CCOC1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188671090 351616413 /nfs/dbraw/zinc/61/64/13/351616413.db2.gz BZPRCQJWNSCCAN-CYBMUJFWSA-N 1 0 290.363 0.959 10 0 CCAERO O=C(c1cc2c(cn1)nc[nH]c2=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000189256707 351663094 /nfs/dbraw/zinc/66/30/94/351663094.db2.gz RWQKCVQAYDGHCA-JTQLQIEISA-N 1 0 299.334 0.238 10 0 CCAERO CC(C)CNC(=O)[C@@H](C)N1CCCN(C)C(=O)C1 ZINC000191109854 351747258 /nfs/dbraw/zinc/74/72/58/351747258.db2.gz UHLMYZDZGGOUMN-LLVKDONJSA-N 1 0 255.362 0.311 10 0 CCAERO C[C@@H]1OCCC[C@@H]1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000191164234 351749567 /nfs/dbraw/zinc/74/95/67/351749567.db2.gz FCFSUVYFOLETPF-KBPBESRZSA-N 1 0 283.416 0.555 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cnns1 ZINC000192039309 351781869 /nfs/dbraw/zinc/78/18/69/351781869.db2.gz LILGEGFNVIAZNU-VIFPVBQESA-N 1 0 297.384 0.419 10 0 CCAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cnc(Cl)cn2)C1 ZINC000192734812 351795496 /nfs/dbraw/zinc/79/54/96/351795496.db2.gz QMSNPZXROQSMKJ-MRVPVSSYSA-N 1 0 254.721 0.906 10 0 CCAERO C[C@H](CNC(=O)[C@@H]1CCCO[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000191704335 351768675 /nfs/dbraw/zinc/76/86/75/351768675.db2.gz STKCDJHNOBCMSA-QLFBSQMISA-N 1 0 297.443 0.801 10 0 CCAERO CCS[C@H]1CCCCN(C(=O)[C@@H]([NH3+])CCC(N)=O)C1 ZINC000193250101 351818589 /nfs/dbraw/zinc/81/85/89/351818589.db2.gz CKTBOQPPQAJHMX-QWRGUYRKSA-N 1 0 287.429 0.713 10 0 CCAERO NC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@H](Cc2ccccc2)C1 ZINC000193198415 351815966 /nfs/dbraw/zinc/81/59/66/351815966.db2.gz YSNAWJTVTXUNAL-KGLIPLIRSA-N 1 0 289.379 0.670 10 0 CCAERO C[C@@H]1C[C@@H](C)CN(C(=O)CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)C1 ZINC000193657873 351839493 /nfs/dbraw/zinc/83/94/93/351839493.db2.gz LPBQYRYPWKQRPF-TUVASFSCSA-N 1 0 279.428 0.984 10 0 CCAERO O=C(CN1CCCCC1=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000194534448 351873412 /nfs/dbraw/zinc/87/34/12/351873412.db2.gz CSEUVZGELFQCIV-UHFFFAOYSA-N 1 0 279.384 0.696 10 0 CCAERO C[C@H](C[NH3+])C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O ZINC000210642388 351928376 /nfs/dbraw/zinc/92/83/76/351928376.db2.gz BFZMNRCJSYQBKS-BXKDBHETSA-N 1 0 261.325 0.020 10 0 CCAERO c1[nH]nc([C@H]2CCC[NH2+]C2)c1CN1CCOCC1 ZINC000216634820 351943355 /nfs/dbraw/zinc/94/33/55/351943355.db2.gz WDSHLAFAJWSTLV-NSHDSACASA-N 1 0 250.346 0.709 10 0 CCAERO Cn1cc(C(=O)C(=O)N2CCCN(C3CC3)CC2)cn1 ZINC000195193431 351902699 /nfs/dbraw/zinc/90/26/99/351902699.db2.gz NBFUOVWRFQMAAH-UHFFFAOYSA-N 1 0 276.340 0.300 10 0 CCAERO COc1c(C[NH2+][C@H](C)[C@@H](CO)SC)c(C)nn1C ZINC000219037515 351963784 /nfs/dbraw/zinc/96/37/84/351963784.db2.gz BTARAPHTWIDWFS-MWLCHTKSSA-N 1 0 273.402 0.939 10 0 CCAERO Cn1ccc(CC[NH2+]C[C@@H](O)COCc2ccco2)n1 ZINC000227229125 352041707 /nfs/dbraw/zinc/04/17/07/352041707.db2.gz RHLJVUWSVKQGTN-CYBMUJFWSA-N 1 0 279.340 0.723 10 0 CCAERO O=C(C[N@H+]1CC[C@H](CCO)C1)NC(=O)NC1CCCCC1 ZINC000227571030 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ULYOOGJUYHPDKG-UONOGXRCSA-N 1 0 292.383 0.793 10 0 CCAERO COCCOC[C@@H](O)C[NH2+]CCOc1ccccc1OC ZINC000584627961 359183003 /nfs/dbraw/zinc/18/30/03/359183003.db2.gz ZROMNOHCNCLIPY-ZDUSSCGKSA-N 1 0 299.367 0.688 10 0 CCAERO CCCS(=O)(=O)CCN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261551601 283420795 /nfs/dbraw/zinc/42/07/95/283420795.db2.gz MIRAKJCRELGWKS-NSHDSACASA-N 1 0 262.419 0.870 10 0 CCAERO Cc1cn2c(n1)[C@H](C[NH2+]Cc1cn(C)nn1)CCC2 ZINC000329278017 202264238 /nfs/dbraw/zinc/26/42/38/202264238.db2.gz LWJHLVMLAVAIFJ-NSHDSACASA-N 1 0 260.345 0.987 10 0 CCAERO COC(=O)C1CCC(NC(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000591615112 359612146 /nfs/dbraw/zinc/61/21/46/359612146.db2.gz XTBHJSYIJCLGJV-CXQJBGSLSA-N 1 0 284.356 0.070 10 0 CCAERO CCO[C@@]1(C(=O)N2CC[NH2+][C@H](C(C)C)C2)CCOC1 ZINC000621160559 366663063 /nfs/dbraw/zinc/66/30/63/366663063.db2.gz HBMFYGYYFPUVJV-JSGCOSHPSA-N 1 0 270.373 0.638 10 0 CCAERO COC(=O)[C@@H]1CCCN(C(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000593911472 360206971 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269.389 0.798 10 0 CCAERO COC(=O)CCN1CC[NH+]([C@H]2CCSC2)CC1 ZINC000370406111 283803380 /nfs/dbraw/zinc/80/33/80/283803380.db2.gz LVIDGJVOCUAZJM-NSHDSACASA-N 1 0 258.387 0.673 10 0 CCAERO C[C@H]1CN(S(=O)(=O)c2cccs2)C[C@@H]1C[NH3+] ZINC000631967483 370795200 /nfs/dbraw/zinc/79/52/00/370795200.db2.gz IJUYCIBDBZFABV-IUCAKERBSA-N 1 0 260.384 0.963 10 0 CCAERO C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCO3)C[C@@H]1C[NH3+] ZINC000631967622 370795593 /nfs/dbraw/zinc/79/55/93/370795593.db2.gz KLMCQVOXSUKZLO-JQWIXIFHSA-N 1 0 296.392 0.837 10 0 CCAERO OCCN1CC[NH2+][C@H](c2cccc3ccnnc32)C1 ZINC000616634090 365393917 /nfs/dbraw/zinc/39/39/17/365393917.db2.gz LLNKVJQRMSFCBS-ZDUSSCGKSA-N 1 0 258.325 0.568 10 0 CCAERO CCOC(=O)c1cccc([C@H]2C[NH2+]CCN2CCO)c1 ZINC000616636130 365396004 /nfs/dbraw/zinc/39/60/04/365396004.db2.gz KUUXXPSQZQCVKR-CQSZACIVSA-N 1 0 278.352 0.802 10 0 CCAERO CCOC(=O)N1CC[NH2+]C[C@H]1CNC(=O)OC(C)(C)C ZINC000616636571 365396710 /nfs/dbraw/zinc/39/67/10/365396710.db2.gz VCPJRBOEXLFNRF-JTQLQIEISA-N 1 0 287.360 0.941 10 0 CCAERO [NH3+]CCN1CCO[C@H](c2ccc3ccnnc3c2)C1 ZINC000616647925 365407413 /nfs/dbraw/zinc/40/74/13/365407413.db2.gz KMURODJPWNGJNR-AWEZNQCLSA-N 1 0 258.325 0.962 10 0 CCAERO CC(C)(C)OC(=O)NC[C@@]1(CO)COCC(C)(C)[NH2+]1 ZINC000616582115 365374671 /nfs/dbraw/zinc/37/46/71/365374671.db2.gz DNMMTQPLHVGHQB-CYBMUJFWSA-N 1 0 274.361 0.641 10 0 CCAERO CC(C)(C)OC(=O)NC[C@@H]1CCOCCN1CC[NH3+] ZINC000616655824 365411453 /nfs/dbraw/zinc/41/14/53/365411453.db2.gz DRIMEUYAZJEZJJ-NSHDSACASA-N 1 0 273.377 0.561 10 0 CCAERO [NH3+]CCN1CCOCC[C@@H]1c1ccc(CCO)cc1 ZINC000616657773 365412483 /nfs/dbraw/zinc/41/24/83/365412483.db2.gz OFRAOALRXHGRSR-OAHLLOKOSA-N 1 0 264.369 0.944 10 0 CCAERO CC(C)n1nnnc1CN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000566246408 291383207 /nfs/dbraw/zinc/38/32/07/291383207.db2.gz SYNOOBBLWPVEFH-WDEREUQCSA-N 1 0 252.366 0.813 10 0 CCAERO O=C(NC1C[NH2+]C1)N1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000335395800 283941037 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CO[C@@H]1CN(Cc2noc(C3CC3)n2)[C@](C)(C[NH3+])C1 ZINC000630361603 370063373 /nfs/dbraw/zinc/06/33/73/370063373.db2.gz LAGKKCPPKOHZTG-GWCFXTLKSA-N 1 0 266.345 0.885 10 0 CCAERO CO[C@H]1CN(C(=O)c2csnn2)[C@](C)(C[NH3+])C1 ZINC000630368396 370068688 /nfs/dbraw/zinc/06/86/88/370068688.db2.gz RWCHBMVCJCEPSM-XCBNKYQSSA-N 1 0 256.331 0.116 10 0 CCAERO CO[C@H]1CN(Cc2snnc2C)[C@](C)(C[NH3+])C1 ZINC000630368575 370069187 /nfs/dbraw/zinc/06/91/87/370069187.db2.gz ROLIGWKMLGIZRO-KOLCDFICSA-N 1 0 256.375 0.785 10 0 CCAERO CO[C@H]1CN(C(=O)Cc2cccnc2)[C@@](C)(C[NH3+])C1 ZINC000630373261 370075391 /nfs/dbraw/zinc/07/53/91/370075391.db2.gz UGUJUDGBNMBTJR-TZMCWYRMSA-N 1 0 263.341 0.589 10 0 CCAERO CO[C@@H]1CN(C(=O)c2ccccc2O)[C@](C)(C[NH3+])C1 ZINC000630374448 370076273 /nfs/dbraw/zinc/07/62/73/370076273.db2.gz NFNXHQDLLFPKSB-HZMBPMFUSA-N 1 0 264.325 0.971 10 0 CCAERO COC1CC(C(=O)N2C[C@@H](OC)C[C@@]2(C)C[NH3+])C1 ZINC000630375088 370076479 /nfs/dbraw/zinc/07/64/79/370076479.db2.gz MYWIWVNEAQYQPP-GVAFYICXSA-N 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/nfs/dbraw/zinc/71/95/40/411719540.db2.gz GPKXGJXZBLPJHD-GFCCVEGCSA-N 1 0 298.431 0.091 10 0 CCAERO CC(C)(C(=O)N1CCN2CCCC[C@H]2C1)N1CC[NH2+]CC1 ZINC000129654189 411720466 /nfs/dbraw/zinc/72/04/66/411720466.db2.gz BEETWNQYWKFORL-AWEZNQCLSA-N 1 0 294.443 0.367 10 0 CCAERO CCOc1cncc(N2CCO[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000132891127 411727639 /nfs/dbraw/zinc/72/76/39/411727639.db2.gz NEVVHVFOXHBYPZ-NXEZZACHSA-N 1 0 252.318 0.428 10 0 CCAERO CCO[C@@H]1CN(c2nc(OC)ncc2Cl)C[C@H]1C[NH3+] ZINC000405395217 411802596 /nfs/dbraw/zinc/80/25/96/411802596.db2.gz SZKLPFPBPWRNKT-PSASIEDQSA-N 1 0 286.763 0.939 10 0 CCAERO COc1cc(OC)cc(OC[C@H](O)CN2CC[NH2+]CC2)c1 ZINC000019668806 170835142 /nfs/dbraw/zinc/83/51/42/170835142.db2.gz HEVXGVSBTYEIAQ-GFCCVEGCSA-N 1 0 296.367 0.349 10 0 CCAERO CCCCC(=O)N[C@H](CC)C(=O)N1CC[NH2+]CC1 ZINC000020183969 171047247 /nfs/dbraw/zinc/04/72/47/171047247.db2.gz HOJMMWWCVZMKKZ-LLVKDONJSA-N 1 0 255.362 0.503 10 0 CCAERO Cc1cccc(C(=O)N[C@H](C)C(=O)N2CC[NH2+]CC2)c1 ZINC000020183896 171047299 /nfs/dbraw/zinc/04/72/99/171047299.db2.gz SYNJWEDGXOPFKQ-GFCCVEGCSA-N 1 0 275.352 0.545 10 0 CCAERO COCCCNS(=O)(=O)c1cc(C[NH3+])ccc1F ZINC000020188807 171053161 /nfs/dbraw/zinc/05/31/61/171053161.db2.gz GYTVGRBFFBTFDT-UHFFFAOYSA-N 1 0 276.333 0.599 10 0 CCAERO Cn1cc(Br)cc1C(=O)N1CC[NH2+]CC1 ZINC000020213783 171076291 /nfs/dbraw/zinc/07/62/91/171076291.db2.gz GUYTXAHMMKGEPD-UHFFFAOYSA-N 1 0 272.146 0.833 10 0 CCAERO [NH3+][C@@H](CN1CCOC1=O)c1ccc2c(c1)OCO2 ZINC000020262256 171119823 /nfs/dbraw/zinc/11/98/23/171119823.db2.gz KBMHLBZPKIMSIV-VIFPVBQESA-N 1 0 250.254 0.867 10 0 CCAERO [NH3+][C@H](CN1CCOC1=O)c1ccc2c(c1)OCO2 ZINC000020262258 171119958 /nfs/dbraw/zinc/11/99/58/171119958.db2.gz KBMHLBZPKIMSIV-SECBINFHSA-N 1 0 250.254 0.867 10 0 CCAERO COc1ccccc1[C@H]([NH3+])CN1C(=O)CN(C)C1=O ZINC000020296164 171136081 /nfs/dbraw/zinc/13/60/81/171136081.db2.gz YFCGFCZUUMTKGO-SNVBAGLBSA-N 1 0 263.297 0.589 10 0 CCAERO C[C@@H]([NH2+][C@@H]1CN2CCC1CC2)C(=O)NC(C)(C)C ZINC000020358422 171157750 /nfs/dbraw/zinc/15/77/50/171157750.db2.gz XJTKQPKKOAXTNT-ZYHUDNBSSA-N 1 0 253.390 0.973 10 0 CCAERO COc1ccc(CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000020434082 171200271 /nfs/dbraw/zinc/20/02/71/171200271.db2.gz NSVQHAJQEPZNOU-JQWIXIFHSA-N 1 0 250.298 0.034 10 0 CCAERO C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000020521344 171234663 /nfs/dbraw/zinc/23/46/63/171234663.db2.gz GUHQMNZBPXISEL-XQQFMLRXSA-N 1 0 253.390 0.833 10 0 CCAERO C[NH+](C)CCNS(=O)(=O)c1ccc(F)cc1N ZINC000021510089 171309792 /nfs/dbraw/zinc/30/97/92/171309792.db2.gz OPKNWTUXOJJUGU-UHFFFAOYSA-N 1 0 261.322 0.248 10 0 CCAERO COC(=O)CNS(=O)(=O)c1cccc([C@H](C)[NH3+])c1 ZINC000021813180 171330643 /nfs/dbraw/zinc/33/06/43/171330643.db2.gz JYRAEZRYUAVJTF-QMMMGPOBSA-N 1 0 272.326 0.158 10 0 CCAERO Nc1ccccc1OCC(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000022218867 171376748 /nfs/dbraw/zinc/37/67/48/171376748.db2.gz GLFAZJMTCDWCNL-CYBMUJFWSA-N 1 0 275.352 0.858 10 0 CCAERO C[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)c1ncon1 ZINC000653130287 412235187 /nfs/dbraw/zinc/23/51/87/412235187.db2.gz BFQYBEJXMUVIKF-RRKCRQDMSA-N 1 0 278.234 0.645 10 0 CCAERO O=C(CC1CCSCC1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000653139030 412238302 /nfs/dbraw/zinc/23/83/02/412238302.db2.gz RSVDYMMTKMQONB-GHMZBOCLSA-N 1 0 258.387 0.216 10 0 CCAERO COC[C@]1(C(=O)N[C@@H]2CCS[C@H]2C)CCC[NH2+]1 ZINC000653176065 412254004 /nfs/dbraw/zinc/25/40/04/412254004.db2.gz JKCWXLDHJPGMSI-UMNHJUIQSA-N 1 0 258.387 0.765 10 0 CCAERO COCCN(C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000653776702 412344828 /nfs/dbraw/zinc/34/48/28/412344828.db2.gz BPSTULXEMLUYSA-REWJHTLYSA-N 1 0 256.390 0.704 10 0 CCAERO COc1ccc(CN2CCO[C@H]3CC[N@H+](C)C[C@@H]32)nn1 ZINC000284965630 196166422 /nfs/dbraw/zinc/16/64/22/196166422.db2.gz WSODPTDDLPMAFN-STQMWFEESA-N 1 0 278.356 0.390 10 0 CCAERO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+]CC(=O)NC1CC1 ZINC000035207196 172051671 /nfs/dbraw/zinc/05/16/71/172051671.db2.gz FGVDIONLGWXNLO-VHSXEESVSA-N 1 0 255.362 0.548 10 0 CCAERO CCCNC(=O)C[NH2+][C@@H](C)C(=O)NCCC(C)C ZINC000035207101 172051956 /nfs/dbraw/zinc/05/19/56/172051956.db2.gz OTYRYPLNOCFSBX-NSHDSACASA-N 1 0 257.378 0.653 10 0 CCAERO CCN(CC)S(=O)(=O)N[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000035691658 172359807 /nfs/dbraw/zinc/35/98/07/172359807.db2.gz GCTAIIXWPCEKDV-WDEREUQCSA-N 1 0 263.407 0.693 10 0 CCAERO C[C@H](NS(=O)(=O)c1cccc(C[NH3+])c1)[C@@H]1CCCO1 ZINC000035734864 172386629 /nfs/dbraw/zinc/38/66/29/172386629.db2.gz APVHDXNCLUBFQD-GWCFXTLKSA-N 1 0 284.381 0.991 10 0 CCAERO NC(=[NH2+])c1ccccc1CN1CCS(=O)(=O)CC1 ZINC000036161924 172480758 /nfs/dbraw/zinc/48/07/58/172480758.db2.gz NVEJHPXAJGDHIM-UHFFFAOYSA-N 1 0 267.354 0.201 10 0 CCAERO [NH3+][C@H]1C[C@H]1NS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000036264683 172559235 /nfs/dbraw/zinc/55/92/35/172559235.db2.gz YQAHIMGIQIDFCD-DTWKUNHWSA-N 1 0 264.709 0.857 10 0 CCAERO CC(C)c1cc(NC(=O)CN2CC[NH2+]CC2)on1 ZINC000036946270 172821412 /nfs/dbraw/zinc/82/14/12/172821412.db2.gz XJCCJKGUPZMSCU-UHFFFAOYSA-N 1 0 252.318 0.642 10 0 CCAERO NC(=O)Cc1ccccc1NC(=O)C1CC[NH2+]CC1 ZINC000037003072 172862523 /nfs/dbraw/zinc/86/25/23/172862523.db2.gz GRNWJUDAOUYKNF-UHFFFAOYSA-N 1 0 261.325 0.653 10 0 CCAERO CC[C@H](CC[NH3+])N1CCN(CC(=O)N(C)CC)CC1 ZINC000037223163 173043927 /nfs/dbraw/zinc/04/39/27/173043927.db2.gz ROJZLIFNPKRPOW-CYBMUJFWSA-N 1 0 270.421 0.210 10 0 CCAERO NC(=O)c1ccc(C[NH+]2CCSCC2)c(N)c1 ZINC000037272969 173084641 /nfs/dbraw/zinc/08/46/41/173084641.db2.gz IPJRDBASXQXQEC-UHFFFAOYSA-N 1 0 251.355 0.917 10 0 CCAERO CC[NH2+]C[C@@H](O)Cn1[nH]c(=O)c2ccccc2c1=O ZINC000037372187 173162036 /nfs/dbraw/zinc/16/20/36/173162036.db2.gz GYKUVHJPDYCVMR-SECBINFHSA-N 1 0 263.297 0.073 10 0 CCAERO CNC(=O)N1CC[NH+](C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000660093365 414109070 /nfs/dbraw/zinc/10/90/70/414109070.db2.gz SHUMWPVLWIBIFN-VXGBXAGGSA-N 1 0 255.362 0.495 10 0 CCAERO CNS(=O)(=O)c1ccccc1NC(=O)C[C@H](C)[NH3+] ZINC000037607460 173555329 /nfs/dbraw/zinc/55/53/29/173555329.db2.gz VPSWURSJLJRVMU-QMMMGPOBSA-N 1 0 271.342 0.271 10 0 CCAERO COc1ccc(CC[NH3+])cc1OCCS(C)(=O)=O ZINC000037744208 173666058 /nfs/dbraw/zinc/66/60/58/173666058.db2.gz LHVNTSFFHQDACU-UHFFFAOYSA-N 1 0 273.354 0.620 10 0 CCAERO CCOC(=O)CN(CC(C)C)C(=O)[C@@H]1CCC[NH2+]1 ZINC000037812277 173758103 /nfs/dbraw/zinc/75/81/03/173758103.db2.gz BCIAOKYHVFJTJM-NSHDSACASA-N 1 0 256.346 0.786 10 0 CCAERO [NH3+]Cc1cccc(CS(=O)(=O)N2CCC(O)CC2)c1 ZINC000037918443 173854893 /nfs/dbraw/zinc/85/48/93/173854893.db2.gz IYBIRHAYAQQTPS-UHFFFAOYSA-N 1 0 284.381 0.432 10 0 CCAERO NC(=O)[C@]1(N2CC[NH2+]CC2)CCCc2ccccc21 ZINC000037945791 173887031 /nfs/dbraw/zinc/88/70/31/173887031.db2.gz LLBMKKXETPAZLD-HNNXBMFYSA-N 1 0 259.353 0.609 10 0 CCAERO COCCNC(=O)[C@H](C)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000038010128 173976723 /nfs/dbraw/zinc/97/67/23/173976723.db2.gz ACVKOGAIBOLHHY-WCQYABFASA-N 1 0 278.352 0.731 10 0 CCAERO C[C@H](CNC(=O)[C@@H]1CSCN1)[NH+]1CCCCC1 ZINC000038029411 174020768 /nfs/dbraw/zinc/02/07/68/174020768.db2.gz QQYFNLWASYBBEK-MNOVXSKESA-N 1 0 257.403 0.640 10 0 CCAERO Cc1csc(N(C)CC(=O)N2CC[NH2+]CC2)n1 ZINC000038031679 174026796 /nfs/dbraw/zinc/02/67/96/174026796.db2.gz AIRMPFIBFIVTNL-UHFFFAOYSA-N 1 0 254.359 0.320 10 0 CCAERO CCN(CCC[NH2+]CCCOC)S(C)(=O)=O ZINC000038035800 174034219 /nfs/dbraw/zinc/03/42/19/174034219.db2.gz DVDQOPBJPKCDAW-UHFFFAOYSA-N 1 0 252.380 0.284 10 0 CCAERO CCCN(CCO)C(=O)[C@H]1CCCN1C1CC[NH2+]CC1 ZINC000038043314 174049768 /nfs/dbraw/zinc/04/97/68/174049768.db2.gz XRUFJNWMYITMRC-CQSZACIVSA-N 1 0 283.416 0.434 10 0 CCAERO Cc1cc(C)n(CC(=O)N[C@@H]2CCCC[C@@H]2[NH3+])n1 ZINC000038048492 174059155 /nfs/dbraw/zinc/05/91/55/174059155.db2.gz JAPOKHHHFUWMLG-NWDGAFQWSA-N 1 0 250.346 0.886 10 0 CCAERO C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(C)C1 ZINC000038083204 174092524 /nfs/dbraw/zinc/09/25/24/174092524.db2.gz LOOADOLYYVIIKE-RWMBFGLXSA-N 1 0 274.430 0.741 10 0 CCAERO C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)C(=O)NC(C)(C)C ZINC000038084217 174094008 /nfs/dbraw/zinc/09/40/08/174094008.db2.gz IQPQUOCQEWRPGO-ZJUUUORDSA-N 1 0 276.402 0.314 10 0 CCAERO C[NH2+]Cc1cc(OC)ccc1O[C@H]1CCS(=O)(=O)C1 ZINC000038084439 174094500 /nfs/dbraw/zinc/09/45/00/174094500.db2.gz UERXQABWHJDSNZ-LBPRGKRZSA-N 1 0 285.365 0.981 10 0 CCAERO CCC[C@](C)([NH3+])C(=O)N1CCN(C(=O)OC)CC1 ZINC000038101854 174117641 /nfs/dbraw/zinc/11/76/41/174117641.db2.gz ISUFGMSTYVUDFC-LBPRGKRZSA-N 1 0 257.334 0.415 10 0 CCAERO COC(=O)C[C@H]1CCCCN1C(=O)[C@@H]([NH3+])C(C)C ZINC000038101900 174117999 /nfs/dbraw/zinc/11/79/99/174117999.db2.gz HYQMEIIXYQSJIL-PWSUYJOCSA-N 1 0 256.346 0.914 10 0 CCAERO COC(=O)C[C@H]1CCCCN1C(=O)C[NH2+]C1CC1 ZINC000038101965 174118296 /nfs/dbraw/zinc/11/82/96/174118296.db2.gz XHXSSENMAWAELQ-LLVKDONJSA-N 1 0 254.330 0.683 10 0 CCAERO CN1CCN(Nc2[nH+]cnc(NC3CCCC3)c2N)CC1 ZINC000040757029 174396489 /nfs/dbraw/zinc/39/64/89/174396489.db2.gz KGDBEWRYGJEOID-UHFFFAOYSA-N 1 0 291.403 0.988 10 0 CCAERO [NH3+]CC1(CC(=O)N[C@@H]2CCNC2=O)CCCCC1 ZINC000662586902 414730668 /nfs/dbraw/zinc/73/06/68/414730668.db2.gz QMYBSINJLPYIKG-SNVBAGLBSA-N 1 0 253.346 0.290 10 0 CCAERO CN(CC1=CCCOC1)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000662663126 414738608 /nfs/dbraw/zinc/73/86/08/414738608.db2.gz XKNYXGYVYSKWTA-UHFFFAOYSA-N 1 0 281.400 0.475 10 0 CCAERO CN(Cc1cn(C)nn1)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000662688789 414741410 /nfs/dbraw/zinc/74/14/10/414741410.db2.gz OWLVIJRGCFHDOV-LBPRGKRZSA-N 1 0 251.334 0.306 10 0 CCAERO CN1C[C@H](CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1=O ZINC000662695280 414742376 /nfs/dbraw/zinc/74/23/76/414742376.db2.gz YUGHEJRTLNNTEY-GARJFASQSA-N 1 0 253.346 0.098 10 0 CCAERO Cc1cc(C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)n(C)n1 ZINC000662978614 414931369 /nfs/dbraw/zinc/93/13/69/414931369.db2.gz HMXASAPCTCCXKE-MRVPVSSYSA-N 1 0 264.251 0.690 10 0 CCAERO C[C@H]1CCCCN1C1(C[NH3+])CCS(=O)(=O)CC1 ZINC000042332165 174687878 /nfs/dbraw/zinc/68/78/78/174687878.db2.gz BQHMJBSLFKXHBK-NSHDSACASA-N 1 0 260.403 0.767 10 0 CCAERO CCCO[C@@H]1CCCN(S(=O)(=O)CC[NH2+]CC)C1 ZINC000042425714 174725055 /nfs/dbraw/zinc/72/50/55/174725055.db2.gz KSXWIXBJDOMOHU-GFCCVEGCSA-N 1 0 278.418 0.817 10 0 CCAERO CCOC(=O)CCS(=O)(=O)NCCC[NH2+]C(C)C ZINC000042538381 174784844 /nfs/dbraw/zinc/78/48/44/174784844.db2.gz SVEXNNBDILVDTK-UHFFFAOYSA-N 1 0 280.390 0.247 10 0 CCAERO O=C(NCCOCCF)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000663003102 414944764 /nfs/dbraw/zinc/94/47/64/414944764.db2.gz JQYRBTRJJDIPCA-HTQZYQBOSA-N 1 0 272.242 0.487 10 0 CCAERO C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCOC2)C[C@@](C)(C(F)F)O1 ZINC000663005736 414946080 /nfs/dbraw/zinc/94/60/80/414946080.db2.gz QISWDDOKYBEMGB-BREBYQMCSA-N 1 0 292.326 0.494 10 0 CCAERO COCCS(=O)(=O)N(CCC[NH3+])c1ccccc1 ZINC000042806959 174883244 /nfs/dbraw/zinc/88/32/44/174883244.db2.gz QXTNIHIYPUBTAX-UHFFFAOYSA-N 1 0 272.370 0.818 10 0 CCAERO C[C@@H]1CCCC[C@@H]1N(C)S(=O)(=O)N1CC[NH2+]CC1 ZINC000044374947 175168571 /nfs/dbraw/zinc/16/85/71/175168571.db2.gz VGLJTLAUWGXCHU-NEPJUHHUSA-N 1 0 275.418 0.647 10 0 CCAERO O=C(CCN1CC[NH2+]CC1)NCc1cccs1 ZINC000045951792 175388306 /nfs/dbraw/zinc/38/83/06/175388306.db2.gz CAXRKQAEGGPGKQ-UHFFFAOYSA-N 1 0 253.371 0.660 10 0 CCAERO CCC[C@@H](Cn1cnc2c(cnn2C)c1=O)[NH2+]CC ZINC000071194981 176076101 /nfs/dbraw/zinc/07/61/01/176076101.db2.gz DGDCWLCFLVBWJN-JTQLQIEISA-N 1 0 263.345 0.908 10 0 CCAERO CC(C)c1nc(CN2CCC[N@H+](CCO)CC2)no1 ZINC000071350563 176133356 /nfs/dbraw/zinc/13/33/56/176133356.db2.gz BABSIQUIPSDFAE-UHFFFAOYSA-N 1 0 268.361 0.693 10 0 CCAERO C[C@H](Sc1nnc(C[NH3+])n1C)C(=O)NC1CC1 ZINC000071373722 176139084 /nfs/dbraw/zinc/13/90/84/176139084.db2.gz HMRUXXNEDYXKJX-LURJTMIESA-N 1 0 255.347 0.033 10 0 CCAERO C[NH2+]CCN(C)c1ccc(S(N)(=O)=O)cc1F ZINC000071390899 176148433 /nfs/dbraw/zinc/14/84/33/176148433.db2.gz ARQXJTYVSXRWIT-UHFFFAOYSA-N 1 0 261.322 0.129 10 0 CCAERO NS(=O)(=O)c1ccc(OC[C@H]2CCC[NH2+]2)c(F)c1 ZINC000071391368 176148812 /nfs/dbraw/zinc/14/88/12/176148812.db2.gz FDMRZUYSBYOYDN-MRVPVSSYSA-N 1 0 274.317 0.604 10 0 CCAERO CC1(C)O[C@@H]2CO[C@@]3(C[NH3+])OC(C)(C)O[C@H]3[C@@H]2O1 ZINC000071973272 176305858 /nfs/dbraw/zinc/30/58/58/176305858.db2.gz VLUAPWWRTMJKAJ-XBWDGYHZSA-N 1 0 259.302 0.343 10 0 CCAERO [NH3+]CC[C@H](C(=O)NC[C@@H]1CCCO1)c1cccnc1 ZINC000076678158 177057098 /nfs/dbraw/zinc/05/70/98/177057098.db2.gz OAAAYJVTEKQGJK-STQMWFEESA-N 1 0 263.341 0.809 10 0 CCAERO CC(C)C[C@@H](CCC[NH3+])C(=O)N1CCN(C=O)CC1 ZINC000076707787 177066170 /nfs/dbraw/zinc/06/61/70/177066170.db2.gz ISTIUHCVVBPFFN-CYBMUJFWSA-N 1 0 269.389 0.688 10 0 CCAERO C[NH2+]CCN(C1CC1)S(=O)(=O)c1c(C)n[nH]c1C ZINC000076714435 177068459 /nfs/dbraw/zinc/06/84/59/177068459.db2.gz HKLIYPJCNZFCNS-UHFFFAOYSA-N 1 0 272.374 0.399 10 0 CCAERO COC(=O)c1ccccc1N(CC[NH3+])S(C)(=O)=O ZINC000076713238 177068516 /nfs/dbraw/zinc/06/85/16/177068516.db2.gz VUMMEYAKQUKGLL-UHFFFAOYSA-N 1 0 272.326 0.198 10 0 CCAERO CCOC(=O)CCC(=O)N1CCOC2(CCC([NH3+])CC2)C1 ZINC000725244163 545873896 /nfs/dbraw/zinc/87/38/96/545873896.db2.gz PFPQEXMUYJXFAE-UHFFFAOYSA-N 1 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C[C@H]1OCC[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000149443339 544648314 /nfs/dbraw/zinc/64/83/14/544648314.db2.gz GGFLIUBQBCFGIC-VXNVDRBHSA-N 1 0 260.315 0.194 10 0 CCAERO CCNC(=O)N1CCN(C(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000136380155 544639173 /nfs/dbraw/zinc/63/91/73/544639173.db2.gz SIAPGSZFVNZMJR-LLVKDONJSA-N 1 0 270.377 0.234 10 0 CCAERO CC(C)C[C@H](C[NH3+])CC(=O)N1CCO[C@H](CO)C1 ZINC000167944009 544729028 /nfs/dbraw/zinc/72/90/28/544729028.db2.gz KCBXSOUSVFFMBZ-RYUDHWBXSA-N 1 0 258.362 0.217 10 0 CCAERO COC[C@H]([NH3+])C(=O)N[C@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000159131150 544693118 /nfs/dbraw/zinc/69/31/18/544693118.db2.gz HPKTZDHMRXWELB-APPZFPTMSA-N 1 0 278.312 0.007 10 0 CCAERO C[C@H]1C[N@H+](Cc2cncnc2)C[C@@H]1N1CCOCC1 ZINC000180224294 544753809 /nfs/dbraw/zinc/75/38/09/544753809.db2.gz USZUQZCRYKMPDS-JSGCOSHPSA-N 1 0 262.357 0.629 10 0 CCAERO C[C@H](NC[C@H](O)C[NH+]1CCCCC1)c1nccn1C ZINC000182568236 544763014 /nfs/dbraw/zinc/76/30/14/544763014.db2.gz MPILKVYNUQZRHR-STQMWFEESA-N 1 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CC(C)(C)c1ncsc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262112902 544941182 /nfs/dbraw/zinc/94/11/82/544941182.db2.gz FMBRYRDZQUBXCK-DTWKUNHWSA-N 1 0 283.397 0.751 10 0 CCAERO C[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@H]1O)c1cccc(F)c1 ZINC000262140480 544941822 /nfs/dbraw/zinc/94/18/22/544941822.db2.gz HDRCHFHXDXKFLR-XHVZSJERSA-N 1 0 266.316 0.626 10 0 CCAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1cnn(-c2ccc(F)cc2)c1 ZINC000262151624 544942213 /nfs/dbraw/zinc/94/22/13/544942213.db2.gz RGTRICAFURJSGB-SWLSCSKDSA-N 1 0 290.342 0.681 10 0 CCAERO Cc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c(C)n1C(C)C ZINC000262132997 544942499 /nfs/dbraw/zinc/94/24/99/544942499.db2.gz GOVLAJMWKSRHFV-GXTWGEPZSA-N 1 0 279.384 0.996 10 0 CCAERO CC1(C)CN(C(=O)NC[C@H]2CC[NH2+]C2)[C@@H]2COC[C@@H]21 ZINC000333762385 545042741 /nfs/dbraw/zinc/04/27/41/545042741.db2.gz AQVBGRQVMGYIJU-SDDRHHMPSA-N 1 0 267.373 0.662 10 0 CCAERO c1ncn(CC[N@@H+]2CCC[C@H](Cn3cncn3)C2)n1 ZINC000328600671 545017934 /nfs/dbraw/zinc/01/79/34/545017934.db2.gz 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SINSKHNBHUPMPI-NSHDSACASA-N 1 0 255.362 0.762 10 0 CCAERO C[C@H]1C[NH2+]C[C@]2(CCCN2CCS(C)(=O)=O)C1 ZINC000757129296 581939994 /nfs/dbraw/zinc/93/99/94/581939994.db2.gz LCVPHGZXCIPKJN-NEPJUHHUSA-N 1 0 260.403 0.495 10 0 CCAERO C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000170867019 327669170 /nfs/dbraw/zinc/66/91/70/327669170.db2.gz NLUQTUISRANOAT-KGLIPLIRSA-N 1 0 293.411 0.798 10 0 CCAERO CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)C[NH2+]C2CC2)C1 ZINC000582120538 327879975 /nfs/dbraw/zinc/87/99/75/327879975.db2.gz AJXFQWKZSLKOCG-WDEREUQCSA-N 1 0 280.328 0.418 10 0 CCAERO O=C(c1c(F)cccc1F)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000565945702 327092195 /nfs/dbraw/zinc/09/21/95/327092195.db2.gz RWFUSEOIBGKFJQ-WDEREUQCSA-N 1 0 268.263 0.778 10 0 CCAERO COc1ccccc1OCCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000576632334 335227925 /nfs/dbraw/zinc/22/79/25/335227925.db2.gz NQPJDXMQKMHBIA-WDEREUQCSA-N 1 0 282.315 0.890 10 0 CCAERO Cc1cccc(S(=O)(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000576929719 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271.405 0.683 10 0 CCAERO CCOC(=O)[C@H](CN1CC[NH+]([C@H](C)CC)CC1)NC ZINC000055070466 521250193 /nfs/dbraw/zinc/25/01/93/521250193.db2.gz QXNFHZYVGBKREO-OLZOCXBDSA-N 1 0 271.405 0.554 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(NN)n1 ZINC000051112489 521657641 /nfs/dbraw/zinc/65/76/41/521657641.db2.gz OFFAKSMRQZHMRA-JTQLQIEISA-N 1 0 263.345 0.581 10 0 CCAERO CC[C@H](C)[C@@H](NC(=O)[C@@H](C)C1C[NH2+]C1)C(=O)OC ZINC000164085635 521846996 /nfs/dbraw/zinc/84/69/96/521846996.db2.gz IBOKOKCMMIEAKF-ATZCPNFKSA-N 1 0 256.346 0.546 10 0 CCAERO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1ccnc(N)c1 ZINC000061655940 521871905 /nfs/dbraw/zinc/87/19/05/521871905.db2.gz CRELNRDACJQMDQ-SNVBAGLBSA-N 1 0 284.385 0.379 10 0 CCAERO C[NH2+]C[C@H](C)c1c(C)nc(CS(C)(=O)=O)nc1C ZINC000054854622 522073271 /nfs/dbraw/zinc/07/32/71/522073271.db2.gz CHPMJOONSJTSDL-QMMMGPOBSA-N 1 0 271.386 0.961 10 0 CCAERO C[NH2+][C@H](C)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000052395876 522438099 /nfs/dbraw/zinc/43/80/99/522438099.db2.gz 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CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cnsn2)C1 ZINC000247046203 649699662 /nfs/dbraw/zinc/69/96/62/649699662.db2.gz IFGRCOOLNFRYRD-WCBMZHEXSA-N 1 0 254.359 0.997 10 0 CCAERO CC(C)C[C@H]1NC(=O)N(CN2CC[N@@H+]3CCC[C@H]3C2)C1=O ZINC000247132066 649703590 /nfs/dbraw/zinc/70/35/90/649703590.db2.gz QLOJSJMZQGHOQM-QWHCGFSZSA-N 1 0 294.399 0.690 10 0 CCAERO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)CCO1 ZINC000247583460 649717495 /nfs/dbraw/zinc/71/74/95/649717495.db2.gz ZABQGIKSEPXBCU-CHWSQXEVSA-N 1 0 292.383 0.457 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cnc(N)nc1 ZINC000092672980 649725566 /nfs/dbraw/zinc/72/55/66/649725566.db2.gz NQIHSORRJITKGC-SNVBAGLBSA-N 1 0 299.400 0.164 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1c[nH]nc1C ZINC000092666130 649725727 /nfs/dbraw/zinc/72/57/27/649725727.db2.gz DSBHOKZYMPKSKD-LLVKDONJSA-N 1 0 286.401 0.823 10 0 CCAERO C[C@H](O)C[N@@H+]1CCN(C[C@@H]2CC3(CCC3)C(=O)O2)C[C@@H]1C ZINC000248899099 649738925 /nfs/dbraw/zinc/73/89/25/649738925.db2.gz UXKFPUCXHBJOQR-IHRRRGAJSA-N 1 0 296.411 0.859 10 0 CCAERO [NH3+][C@@H]1CC[C@H](c2nc([C@@H]3CN4CCN3CC4)no2)C1 ZINC000094506095 649743887 /nfs/dbraw/zinc/74/38/87/649743887.db2.gz LGJSWDNEBIEMDL-AXFHLTTASA-N 1 0 263.345 0.337 10 0 CCAERO CC(C)(C)[C@@H]([NH3+])Cc1nc([C@H]2CN3CCN2CC3)no1 ZINC000094511833 649744385 /nfs/dbraw/zinc/74/43/85/649744385.db2.gz PQPJGNUXDMHAAP-MNOVXSKESA-N 1 0 279.388 0.658 10 0 CCAERO COC(=O)[C@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1C ZINC000094996375 649751038 /nfs/dbraw/zinc/75/10/38/649751038.db2.gz UTULTVDBXZSFJV-NEPJUHHUSA-N 1 0 268.357 0.740 10 0 CCAERO C[C@H](C(=O)[O-])[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000700809246 976979487 /nfs/dbraw/zinc/97/94/87/976979487.db2.gz WLKXVSFGMIGSTC-BWZBUEFSSA-N 1 0 254.252 0.919 10 0 CCAERO C[NH+](C)C1(C)CCC(NC(=O)[C@H]([NH3+])CCC(=O)[O-])CC1 ZINC000715579992 977773529 /nfs/dbraw/zinc/77/35/29/977773529.db2.gz TUMABYGIBAWYPP-IQLKVPPVSA-N 1 0 285.388 0.558 10 0 CCAERO COC(=O)c1cc(C[NH3+])cc(I)n1 ZINC000095766946 185027445 /nfs/dbraw/zinc/02/74/45/185027445.db2.gz BTRQGNVMIJYTPW-UHFFFAOYSA-N 1 0 292.076 0.932 10 0 CCAERO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccccc2)[C@@H]2CCN1C2 ZINC000095829213 185028747 /nfs/dbraw/zinc/02/87/47/185028747.db2.gz XNZXNSSSNOBSGE-VXGBXAGGSA-N 1 0 281.381 0.093 10 0 CCAERO C[C@@H]1CC[N@H+](CCn2nc3ccccn3c2=O)C[C@@H]1O ZINC000093332879 349537890 /nfs/dbraw/zinc/53/78/90/349537890.db2.gz BGUYRIIPQZVAID-NEPJUHHUSA-N 1 0 276.340 0.199 10 0 CCAERO COCCCN(CCOC)C(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000094647710 349571066 /nfs/dbraw/zinc/57/10/66/349571066.db2.gz OUVFYDMRCPNRIM-OLZOCXBDSA-N 1 0 272.389 0.886 10 0 CCAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)Cc1nccn1C ZINC000094648316 349572492 /nfs/dbraw/zinc/57/24/92/349572492.db2.gz FAVZQFHRMPWCQI-GHMZBOCLSA-N 1 0 250.346 0.767 10 0 CCAERO C[NH+](C)C[C@H](NC(=O)c1nnc[nH]1)c1ccccc1 ZINC000095040662 349584512 /nfs/dbraw/zinc/58/45/12/349584512.db2.gz ULGMDSVLHZPVIS-NSHDSACASA-N 1 0 259.313 0.837 10 0 CCAERO Cc1cc(C)nc(S(=O)(=O)[C@H]2CCC[NH2+]C2)n1 ZINC000095068836 349585551 /nfs/dbraw/zinc/58/55/51/349585551.db2.gz QAKGHOHPZGVTKT-JTQLQIEISA-N 1 0 255.343 0.619 10 0 CCAERO O=S(=O)(N[C@H]1CCC[NH2+]C1)c1ncccc1Cl ZINC000095069793 349586117 /nfs/dbraw/zinc/58/61/17/349586117.db2.gz MYFQQGACTLYZCS-QMMMGPOBSA-N 1 0 275.761 0.765 10 0 CCAERO Cc1ccnc(S(=O)(=O)N2CCC[C@@H](C[NH3+])C2)c1 ZINC000095069187 349586461 /nfs/dbraw/zinc/58/64/61/349586461.db2.gz MBWRNNBJYARFCF-NSHDSACASA-N 1 0 269.370 0.749 10 0 CCAERO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C[NH3+])nn1 ZINC000095069092 349586559 /nfs/dbraw/zinc/58/65/59/349586559.db2.gz WFNAHQKKEXQMAM-SNVBAGLBSA-N 1 0 270.358 0.287 10 0 CCAERO COc1nccnc1CN(C)C[C@H]1CCC[NH2+]C1 ZINC000095071594 349587118 /nfs/dbraw/zinc/58/71/18/349587118.db2.gz OYDFBLPTAIXGCV-NSHDSACASA-N 1 0 250.346 0.917 10 0 CCAERO C[NH+](C)C[C@H]1CN(C(=O)NCCc2cccnc2)CCO1 ZINC000117029655 282136972 /nfs/dbraw/zinc/13/69/72/282136972.db2.gz BNQLLXGBYRICLZ-AWEZNQCLSA-N 1 0 292.383 0.596 10 0 CCAERO 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284.356 0.165 10 0 CCAERO O=C([C@H]1CNC(=O)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000127618543 187320696 /nfs/dbraw/zinc/32/06/96/187320696.db2.gz HTOBAYZCVOETJE-NWDGAFQWSA-N 1 0 265.357 0.067 10 0 CCAERO CCCC[C@H](COC)NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261796721 535040838 /nfs/dbraw/zinc/04/08/38/535040838.db2.gz NWKCIZAMFFAZIV-UTUOFQBUSA-N 1 0 258.362 0.814 10 0 CCAERO COC(=O)c1csc(C[NH2+][C@@H]2CCNC2=O)c1 ZINC000602708314 362761764 /nfs/dbraw/zinc/76/17/64/362761764.db2.gz ZPOMUXTUZZCHTK-SECBINFHSA-N 1 0 254.311 0.513 10 0 CCAERO Cc1ncsc1C(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000374599797 232592687 /nfs/dbraw/zinc/59/26/87/232592687.db2.gz BMYIWEYCKKAIBR-BDAKNGLRSA-N 1 0 253.327 0.264 10 0 CCAERO CC[C@@]1(C(=O)N2CCC[C@@H](NC(C)=O)C2)CC[NH2+]C1 ZINC000062895706 136772595 /nfs/dbraw/zinc/77/25/95/136772595.db2.gz FWGWFUFLHAFAJV-TZMCWYRMSA-N 1 0 267.373 0.503 10 0 CCAERO C[C@H](CN1CCCC1=O)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171903336 136857486 /nfs/dbraw/zinc/85/74/86/136857486.db2.gz KNYMPPQRGBSWDR-CHWSQXEVSA-N 1 0 294.399 0.487 10 0 CCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CCNC(N)=O ZINC000120246135 349976112 /nfs/dbraw/zinc/97/61/12/349976112.db2.gz ORNRGRXACJCJMY-SNVBAGLBSA-N 1 0 258.366 0.137 10 0 CCAERO CCS(=O)(=O)CC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186511427 136912012 /nfs/dbraw/zinc/91/20/12/136912012.db2.gz HGMKJIDCGNFKLI-JTQLQIEISA-N 1 0 274.386 0.164 10 0 CCAERO CCCC[C@H](NC(N)=O)C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186524813 136912367 /nfs/dbraw/zinc/91/23/67/136912367.db2.gz WRPJWSPSAITVLS-AAEUAGOBSA-N 1 0 296.415 0.957 10 0 CCAERO C[N@H+]1C[C@H]2CN(CC(=O)NCc3cccs3)C[C@H]2C1 ZINC000193618325 136944541 /nfs/dbraw/zinc/94/45/41/136944541.db2.gz IVULPGFWKDRVHJ-TXEJJXNPSA-N 1 0 279.409 0.858 10 0 CCAERO NC(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261672556 137015235 /nfs/dbraw/zinc/01/52/35/137015235.db2.gz GCNRCUGNCMIFFI-WISYIIOYSA-N 1 0 267.373 0.522 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1c[nH]cn1 ZINC000252661230 137003311 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C[C@H](C(=O)NC[C@@H]1CCCO1)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261609312 137012174 /nfs/dbraw/zinc/01/21/74/137012174.db2.gz BTJKPYSCODQWEB-AGIUHOORSA-N 1 0 283.416 0.729 10 0 CCAERO C[C@H](CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])N1CCOCC1 ZINC000261635221 137012923 /nfs/dbraw/zinc/01/29/23/137012923.db2.gz CCHUOMRSPMBISD-JHJVBQTASA-N 1 0 269.389 0.198 10 0 CCAERO CN(CC1CC1)S(=O)(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261649289 137014084 /nfs/dbraw/zinc/01/40/84/137014084.db2.gz DZXHAFAVABXQEG-LLVKDONJSA-N 1 0 275.418 0.632 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1c(F)cccc1F ZINC000262364867 137040229 /nfs/dbraw/zinc/04/02/29/137040229.db2.gz VPBNLDHZVFOYCJ-GMSGAONNSA-N 1 0 256.252 0.275 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000262378359 137041152 /nfs/dbraw/zinc/04/11/52/137041152.db2.gz WSVPWWOWBDYGNE-WHIUSJLISA-N 1 0 296.317 0.765 10 0 CCAERO Cc1nn(C)c2sc(C(=O)NC[C@@H]3C[NH2+]C[C@@H]3O)cc12 ZINC000262401922 137041917 /nfs/dbraw/zinc/04/19/17/137041917.db2.gz YRCVWOVCPJGKRZ-WPRPVWTQSA-N 1 0 294.380 0.253 10 0 CCAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@]2(C)CCOC2)cn1 ZINC000262438737 137043370 /nfs/dbraw/zinc/04/33/70/137043370.db2.gz URQDHQCHYQMROM-MBNYWOFBSA-N 1 0 278.356 0.018 10 0 CCAERO C[C@@H](C(=O)N[C@@H]1CCN(c2ccccc2)C1=O)C1C[NH2+]C1 ZINC000262488650 137044802 /nfs/dbraw/zinc/04/48/02/137044802.db2.gz HJDTZJLEXNMYHM-BXUZGUMPSA-N 1 0 287.363 0.764 10 0 CCAERO CC(C)[C@H]1OCC[C@@H]1CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000262903402 137055169 /nfs/dbraw/zinc/05/51/69/137055169.db2.gz XXTUNLPCMQETEA-QMTHXVAHSA-N 1 0 292.383 0.846 10 0 CCAERO CN1CC[NH2+]C[C@@H]1c1noc(COCC(F)(F)F)n1 ZINC000263174543 137059817 /nfs/dbraw/zinc/05/98/17/137059817.db2.gz GCESEDDVMXTXSV-SSDOTTSWSA-N 1 0 280.250 0.725 10 0 CCAERO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1cnn2ccncc12 ZINC000261714919 137017001 /nfs/dbraw/zinc/01/70/01/137017001.db2.gz JSRMOEHZXLRPAK-BREBYQMCSA-N 1 0 273.340 0.846 10 0 CCAERO C[C@H]([NH3+])CC(=O)NCCNC(=O)CC1CCCC1 ZINC000261825416 137021384 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LHVSUPIKKGYZKU-HQJQHLMTSA-N 1 0 256.252 0.275 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cc2c(c(Cl)c1)OCO2 ZINC000262263238 137033910 /nfs/dbraw/zinc/03/39/10/137033910.db2.gz MKKXDMUZKDGZLO-SCZZXKLOSA-N 1 0 298.726 0.379 10 0 CCAERO COc1ccccc1[C@H](O)CNC(=O)C1C[NH2+]C1 ZINC000262280939 137034669 /nfs/dbraw/zinc/03/46/69/137034669.db2.gz VSWOMGNJFQLETF-LLVKDONJSA-N 1 0 250.298 0.064 10 0 CCAERO Cc1cc(OCC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)ccc1Cl ZINC000262295683 137035840 /nfs/dbraw/zinc/03/58/40/137035840.db2.gz PAUFXTNOBXMZGW-GXFFZTMASA-N 1 0 298.770 0.724 10 0 CCAERO Cc1ccc(-c2cc(C(=O)NC[C@@H]3C[NH2+]C[C@H]3O)[nH]n2)o1 ZINC000262310453 137036774 /nfs/dbraw/zinc/03/67/74/137036774.db2.gz QJABMWUKXRLTHV-JOYOIKCWSA-N 1 0 290.323 0.288 10 0 CCAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1cc(C(F)(F)F)n[nH]1 ZINC000263241485 137061360 /nfs/dbraw/zinc/06/13/60/137061360.db2.gz ORTTUJIHRBTVDH-XPUUQOCRSA-N 1 0 264.251 0.098 10 0 CCAERO COc1cccc(O[C@@H](C)CNC(=O)C2C[NH2+]C2)c1 ZINC000263249860 137061608 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CO[C@H]1C[NH2+][C@@H](C(=O)Nc2cc(C(N)=O)ccc2F)C1 ZINC000040633118 348240185 /nfs/dbraw/zinc/24/01/85/348240185.db2.gz WOZLIXUNTXFRJZ-LDYMZIIASA-N 1 0 281.287 0.240 10 0 CCAERO CC[C@H](NC(=O)C(=O)N1CCC[NH2+]CC1)C(C)C ZINC000042595362 348286694 /nfs/dbraw/zinc/28/66/94/348286694.db2.gz MLTAXIDGBWQENG-NSHDSACASA-N 1 0 255.362 0.359 10 0 CCAERO COC(=O)C1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000050499320 348476401 /nfs/dbraw/zinc/47/64/01/348476401.db2.gz XUERJGDOECCAFD-LLVKDONJSA-N 1 0 254.330 0.540 10 0 CCAERO C[NH2+][C@H](C)C(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000054074429 348541403 /nfs/dbraw/zinc/54/14/03/348541403.db2.gz VSXGZYPUPUDHFW-ZCFIWIBFSA-N 1 0 255.705 0.985 10 0 CCAERO C[NH2+][C@H](C)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000052395894 348509212 /nfs/dbraw/zinc/50/92/12/348509212.db2.gz ZTFXHAQXXBHLEL-GHMZBOCLSA-N 1 0 264.325 0.893 10 0 CCAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1cccnc1-n1cncn1 ZINC000054308600 348549499 /nfs/dbraw/zinc/54/94/99/348549499.db2.gz JVZYYOPZQONAQA-NSHDSACASA-N 1 0 286.339 0.991 10 0 CCAERO O=C(C[C@H]1CCC[NH2+]C1)N1CCN(c2cnccn2)CC1 ZINC000054308110 348549700 /nfs/dbraw/zinc/54/97/00/348549700.db2.gz FIRHMJHCPNCZTJ-CYBMUJFWSA-N 1 0 289.383 0.515 10 0 CCAERO O=C(C[C@@H]1CCC[NH2+]C1)Nc1ccc(-n2cncn2)nc1 ZINC000054306847 348549724 /nfs/dbraw/zinc/54/97/24/348549724.db2.gz PBOPSTAHNOAANR-NSHDSACASA-N 1 0 286.339 0.991 10 0 CCAERO CCCNC(=O)NC(=O)CN1CCC[N@@H+](C2CC2)CC1 ZINC000061041506 348650815 /nfs/dbraw/zinc/65/08/15/348650815.db2.gz GRNFWATYWSDFLC-UHFFFAOYSA-N 1 0 282.388 0.392 10 0 CCAERO CC[C@]1(C(=O)Nc2ccc(OCC(N)=O)cc2)CC[NH2+]C1 ZINC000062892761 348671330 /nfs/dbraw/zinc/67/13/30/348671330.db2.gz PMTBIKYUYNUKPH-HNNXBMFYSA-N 1 0 291.351 0.879 10 0 CCAERO C[C@@H](CCCO)[NH+]1CCN(c2ncccn2)CC1 ZINC000058826937 348631622 /nfs/dbraw/zinc/63/16/22/348631622.db2.gz PESBHILADBNXLH-LBPRGKRZSA-N 1 0 250.346 0.760 10 0 CCAERO CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](CO)c1ccccc1 ZINC000063002719 348675307 /nfs/dbraw/zinc/67/53/07/348675307.db2.gz CIQXJLUBPZTZCD-GXSJLCMTSA-N 1 0 265.313 0.154 10 0 CCAERO COCCc1noc(-c2cccnc2N2CC[NH2+]CC2)n1 ZINC000070457975 348890071 /nfs/dbraw/zinc/89/00/71/348890071.db2.gz AAIWZUDOJMMNEB-UHFFFAOYSA-N 1 0 289.339 0.730 10 0 CCAERO COC(=O)[C@H]1CN(CC[NH+]2CCCCC2)CCC1=O ZINC000070460853 348890979 /nfs/dbraw/zinc/89/09/79/348890979.db2.gz ODVVKMOYAMTHFB-LBPRGKRZSA-N 1 0 268.357 0.536 10 0 CCAERO O=C(NC1CC[NH+](C2CCCC2)CC1)C1=NNC(=O)CC1 ZINC000074911819 349013669 /nfs/dbraw/zinc/01/36/69/349013669.db2.gz LFMBUHUYKFAXLS-UHFFFAOYSA-N 1 0 292.383 0.776 10 0 CCAERO C[C@@H](C(N)=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000079490001 349179851 /nfs/dbraw/zinc/17/98/51/349179851.db2.gz REELIEOWXIUDHM-QWRGUYRKSA-N 1 0 255.362 0.045 10 0 CCAERO C[C@@]1(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CCC[NH2+]1 ZINC000079510642 349180548 /nfs/dbraw/zinc/18/05/48/349180548.db2.gz AUNGODMHNLJPIT-LBPRGKRZSA-N 1 0 283.353 0.415 10 0 CCAERO CC(C)S(=O)(=O)CCN1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261540058 535093863 /nfs/dbraw/zinc/09/38/63/535093863.db2.gz DERYLPLSLDCCFR-NEPJUHHUSA-N 1 0 262.419 0.869 10 0 CCAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)CS(C)(=O)=O ZINC000081900453 349287632 /nfs/dbraw/zinc/28/76/32/349287632.db2.gz CJDOBNXFNQEPTC-NWDGAFQWSA-N 1 0 264.435 0.985 10 0 CCAERO CCN(Cc1cc(=O)c(O)co1)[C@@H]1CCC[NH2+]C1 ZINC000104339690 185975458 /nfs/dbraw/zinc/97/54/58/185975458.db2.gz FRYHVACANNMMEM-SNVBAGLBSA-N 1 0 252.314 0.919 10 0 CCAERO O=C(N[C@@H]1CCCNC1=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000087619096 349352135 /nfs/dbraw/zinc/35/21/35/349352135.db2.gz VHBNRJYMZUQQJV-CHWSQXEVSA-N 1 0 273.336 0.268 10 0 CCAERO O=C(Nc1cccc2c1CNC2=O)[C@@H]1CCC[NH2+]C1 ZINC000089210901 349378747 /nfs/dbraw/zinc/37/87/47/349378747.db2.gz NBNIEGMRBPVPAN-SECBINFHSA-N 1 0 259.309 0.868 10 0 CCAERO CC[C@H]1CN(Cc2cc[nH]n2)CC[N@@H+]1C[C@@H](C)O ZINC000120765399 350003485 /nfs/dbraw/zinc/00/34/85/350003485.db2.gz BUKZXJWGQFWNSZ-YPMHNXCESA-N 1 0 252.362 0.687 10 0 CCAERO CC[N@H+](CC(=O)N1CCOC[C@H]1c1nc(C)no1)C1CC1 ZINC000121156547 350025103 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ZINC000091304102 180131347 /nfs/dbraw/zinc/13/13/47/180131347.db2.gz QKYFUSLLLMEMNN-MRVPVSSYSA-N 1 0 255.318 0.071 10 0 CCAERO CN(C(=O)NC[C@H]1CN(C)CCO1)C1CCC(CO)CC1 ZINC000127872577 350180059 /nfs/dbraw/zinc/18/00/59/350180059.db2.gz XBSYTDXGXMIPKZ-RUXDESIVSA-N 1 0 299.415 0.510 10 0 CCAERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)CN2CCCCC2=O)C1 ZINC000128393133 350192101 /nfs/dbraw/zinc/19/21/01/350192101.db2.gz BYRKRJNMJAYALX-NEPJUHHUSA-N 1 0 267.373 0.598 10 0 CCAERO CNc1cc(N[C@H]2CCS(=O)(=O)C2)nc(C)[nH+]1 ZINC000128457389 350193895 /nfs/dbraw/zinc/19/38/95/350193895.db2.gz PGEAIHLJINUIIS-QMMMGPOBSA-N 1 0 256.331 0.426 10 0 CCAERO CC(=O)N1CCC[C@H](C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)C1 ZINC000128290941 350189537 /nfs/dbraw/zinc/18/95/37/350189537.db2.gz MDPNHNSAYATBSJ-MJBXVCDLSA-N 1 0 281.400 0.844 10 0 CCAERO C[NH+](C)CC1CCC(NC(=O)N2CCO[C@@H](CO)C2)CC1 ZINC000408427605 137886360 /nfs/dbraw/zinc/88/63/60/137886360.db2.gz PTISQRIBKNHWRT-JXQTWKCFSA-N 1 0 299.415 0.510 10 0 CCAERO Cc1cccnc1CNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129746404 350222168 /nfs/dbraw/zinc/22/21/68/350222168.db2.gz MTNOTBJRGIFSBX-UHFFFAOYSA-N 1 0 276.384 0.690 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(C3CC3)CC2)C1 ZINC000105174506 186044388 /nfs/dbraw/zinc/04/43/88/186044388.db2.gz WQMXINBNXAMMCI-ZDUSSCGKSA-N 1 0 280.416 0.960 10 0 CCAERO Cn1cc([C@@H]2CNCCN2C(=O)CC(C)(C)[NH3+])cn1 ZINC000181373628 282672679 /nfs/dbraw/zinc/67/26/79/282672679.db2.gz QLUJVSLMIXGMIF-NSHDSACASA-N 1 0 265.361 0.020 10 0 CCAERO C[C@@H](Cn1cncn1)NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105216663 186047031 /nfs/dbraw/zinc/04/70/31/186047031.db2.gz PEYKNULPXPHKHH-QWHCGFSZSA-N 1 0 292.387 0.546 10 0 CCAERO CCNC(=O)CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000132246188 350301792 /nfs/dbraw/zinc/30/17/92/350301792.db2.gz NVFQGROSEPWADK-WDEREUQCSA-N 1 0 270.377 0.150 10 0 CCAERO CCC(=O)N1CCCN(C(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000136177648 350417566 /nfs/dbraw/zinc/41/75/66/350417566.db2.gz PPINCRQYEAMHNY-HNNXBMFYSA-N 1 0 281.400 0.990 10 0 CCAERO CCOCCN1CC[NH+](CCC(=O)NC(C)C)CC1 ZINC000105830639 186075776 /nfs/dbraw/zinc/07/57/76/186075776.db2.gz NFHVFDGQZDEFOV-UHFFFAOYSA-N 1 0 271.405 0.555 10 0 CCAERO CCOCC[N@@H+]1CCN(CCN2CCCC2=O)C[C@@H]1C ZINC000105835379 186075836 /nfs/dbraw/zinc/07/58/36/186075836.db2.gz LZTCRDRDEKAEQR-AWEZNQCLSA-N 1 0 283.416 0.651 10 0 CCAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)N1CCC(C)CC1 ZINC000105933248 186092677 /nfs/dbraw/zinc/09/26/77/186092677.db2.gz NBHMSIURWVRMEX-ZIAGYGMSSA-N 1 0 283.416 0.554 10 0 CCAERO CCN(CC)C(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000151350182 350499974 /nfs/dbraw/zinc/49/99/74/350499974.db2.gz XWLQWBQTWLWBJE-UHFFFAOYSA-N 1 0 281.360 0.252 10 0 CCAERO COC(=O)C1(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCCC1 ZINC000261666322 290903139 /nfs/dbraw/zinc/90/31/39/290903139.db2.gz FPMZAHPCPICEAX-GHMZBOCLSA-N 1 0 268.357 0.963 10 0 CCAERO COc1c(C)cc(CN(C)C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1C ZINC000154989551 350605802 /nfs/dbraw/zinc/60/58/02/350605802.db2.gz 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292.383 0.618 10 0 CCAERO C[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H](F)C[C@@H]1CO ZINC000333206981 205117497 /nfs/dbraw/zinc/11/74/97/205117497.db2.gz AVYNYEHWBDIIPD-HBNTYKKESA-N 1 0 259.325 0.195 10 0 CCAERO O=C(CC[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1)N1CCOCC1 ZINC000333345617 205237410 /nfs/dbraw/zinc/23/74/10/205237410.db2.gz UQMJQPJVHMZCNE-GFCCVEGCSA-N 1 0 293.371 0.233 10 0 CCAERO COc1cnc(NC(=O)N[C@@H]2CCC[NH2+][C@H]2C)nc1 ZINC000333357887 205250438 /nfs/dbraw/zinc/25/04/38/205250438.db2.gz SHLSNWIKEDENRR-WCBMZHEXSA-N 1 0 265.317 0.747 10 0 CCAERO C[C@@H]1C[C@@H]1NC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333487417 205365439 /nfs/dbraw/zinc/36/54/39/205365439.db2.gz CWUOYYORIFAPFO-RYSNWHEDSA-N 1 0 280.416 0.910 10 0 CCAERO O=C(N[C@H]1CCC[NH2+]C1)N1CC[C@H](Oc2ccccn2)C1 ZINC000333488964 205369127 /nfs/dbraw/zinc/36/91/27/205369127.db2.gz DBFMXYQRZSRQSZ-STQMWFEESA-N 1 0 290.367 0.996 10 0 CCAERO C[C@H](NC(=O)N[C@H]1CCCC[NH2+]C1)[C@H]1CCCO1 ZINC000333587951 205471954 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GLIBJVHCOVEDNT-LBPRGKRZSA-N 1 0 266.316 0.720 10 0 CCAERO COC[C@@]1(C(=O)NCCOc2ccccc2)CCC[NH2+]1 ZINC000643618927 390473479 /nfs/dbraw/zinc/47/34/79/390473479.db2.gz HTDPENDPGSKOHO-OAHLLOKOSA-N 1 0 278.352 0.950 10 0 CCAERO O=C(NCCOc1ccccc1)[C@H]1C[NH2+]CCOC1 ZINC000643619561 390474701 /nfs/dbraw/zinc/47/47/01/390474701.db2.gz ZZBXWDRPJIYXIP-LBPRGKRZSA-N 1 0 264.325 0.418 10 0 CCAERO O=C(NCCCOc1ccccc1)[C@H]1C[NH2+]CCOC1 ZINC000643623457 390476761 /nfs/dbraw/zinc/47/67/61/390476761.db2.gz BEIUITUPJJIOJR-ZDUSSCGKSA-N 1 0 278.352 0.808 10 0 CCAERO COC[C@]1(C(=O)NCCOCC(F)(F)F)CCC[NH2+]1 ZINC000643628085 390478268 /nfs/dbraw/zinc/47/82/68/390478268.db2.gz ZBUSSYNHKJRPBR-JTQLQIEISA-N 1 0 284.278 0.450 10 0 CCAERO NC(=O)c1ccc(F)c(NC(=O)[C@H]2C[NH2+]CCOC2)c1 ZINC000643640729 390484704 /nfs/dbraw/zinc/48/47/04/390484704.db2.gz MBEFJMNQUCWCDQ-VIFPVBQESA-N 1 0 281.287 0.099 10 0 CCAERO CCN(C[C@@H]1CCOC1)C(=O)[C@]1(COC)CCC[NH2+]1 ZINC000643641454 390485798 /nfs/dbraw/zinc/48/57/98/390485798.db2.gz ZBHUOIONUVHCCS-GXTWGEPZSA-N 1 0 270.373 0.640 10 0 CCAERO CCO[C@H]1CCCN(C(=O)[C@]2(COC)CCC[NH2+]2)C1 ZINC000643642674 390486516 /nfs/dbraw/zinc/48/65/16/390486516.db2.gz SJSQFTGJEYQUSS-GXTWGEPZSA-N 1 0 270.373 0.783 10 0 CCAERO O=C(N[C@H]1COc2ccccc2C1)[C@@H]1C[NH2+]CCOC1 ZINC000643645516 390487448 /nfs/dbraw/zinc/48/74/48/390487448.db2.gz ZXZYAVIOZIWHNC-CHWSQXEVSA-N 1 0 276.336 0.342 10 0 CCAERO COCCC1(C(=O)N[C@@H](COC)C2CC2)CC[NH2+]CC1 ZINC000643767790 390537902 /nfs/dbraw/zinc/53/79/02/390537902.db2.gz ACQHOYJSCQXTFD-ZDUSSCGKSA-N 1 0 284.400 0.934 10 0 CCAERO COC[C@]1(C(=O)N[C@H]2CCO[C@H](C)C2)CCC[NH2+]1 ZINC000643779866 390544124 /nfs/dbraw/zinc/54/41/24/390544124.db2.gz VBJDPOFSOOBWMV-MDZLAQPJSA-N 1 0 256.346 0.439 10 0 CCAERO CC(C)[C@H]1CN(C(=O)[C@@H]2C[NH2+]CCOC2)CCO1 ZINC000643780516 390545429 /nfs/dbraw/zinc/54/54/29/390545429.db2.gz LZSZQKNGZDBMCT-VXGBXAGGSA-N 1 0 256.346 0.106 10 0 CCAERO COC[C@@]1(C(=O)N(C)Cc2cnn(C)c2)CCC[NH2+]1 ZINC000649280414 390546789 /nfs/dbraw/zinc/54/67/89/390546789.db2.gz QBDYAPSRYWYRKU-CYBMUJFWSA-N 1 0 266.345 0.147 10 0 CCAERO CC(C)(NC(=O)[C@H]1C[NH2+]CCOC1)c1nccs1 ZINC000649301985 390561535 /nfs/dbraw/zinc/56/15/35/390561535.db2.gz GZGPJNCMZVFUDU-VIFPVBQESA-N 1 0 269.370 0.730 10 0 CCAERO O=C([C@H]1C[NH2+]CCC1(F)F)N1CCn2ccnc2C1 ZINC000649318157 390574385 /nfs/dbraw/zinc/57/43/85/390574385.db2.gz WCWSPJUXRKHEQE-SECBINFHSA-N 1 0 270.283 0.470 10 0 CCAERO COC[C@]1(C(=O)NCc2ncc(C)s2)CCC[NH2+]1 ZINC000649342030 390596469 /nfs/dbraw/zinc/59/64/69/390596469.db2.gz IBVSYPQSALFHDC-LBPRGKRZSA-N 1 0 269.370 0.836 10 0 CCAERO C[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000647045357 390764670 /nfs/dbraw/zinc/76/46/70/390764670.db2.gz JADWNBRMMWZLPA-IVZWLZJFSA-N 1 0 265.313 0.346 10 0 CCAERO C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000647045421 390764676 /nfs/dbraw/zinc/76/46/76/390764676.db2.gz LEAVMBJQUVLQHH-AEJSXWLSSA-N 1 0 255.362 0.485 10 0 CCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccc(CNC(N)=O)cc1 ZINC000647044677 390764689 /nfs/dbraw/zinc/76/46/89/390764689.db2.gz KBASUMKDJBDOOF-BXKDBHETSA-N 1 0 276.340 0.417 10 0 CCAERO O=C(CCc1ccccn1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000572474880 390784707 /nfs/dbraw/zinc/78/47/07/390784707.db2.gz AYWXRWXCWWAOOZ-QWHCGFSZSA-N 1 0 261.325 0.213 10 0 CCAERO COc1cccc(CC(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000424054610 533444755 /nfs/dbraw/zinc/44/47/55/533444755.db2.gz GYEISXVCKYZREP-UONOGXRCSA-N 1 0 276.336 0.437 10 0 CCAERO C[C@H](O)[C@@H]1CCN(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)C1 ZINC000342080471 130242278 /nfs/dbraw/zinc/24/22/78/130242278.db2.gz WHRRQYNKRRDLGT-LOWDOPEQSA-N 1 0 269.389 0.881 10 0 CCAERO CS(=O)(=O)c1ccc(N2CCN(CC[NH3+])CC2)cc1 ZINC000037674088 134847743 /nfs/dbraw/zinc/84/77/43/134847743.db2.gz FNGZCDQMDJFMSO-UHFFFAOYSA-N 1 0 283.397 0.171 10 0 CCAERO NNc1[nH+]cnc(N2CCN(c3ccccn3)CC2)c1N ZINC000040783884 134871446 /nfs/dbraw/zinc/87/14/46/134871446.db2.gz ZUJKVOQGJNRYFO-UHFFFAOYSA-N 1 0 286.343 0.066 10 0 CCAERO C[C@H]([NH2+]C1CC(CO)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000658357470 413119503 /nfs/dbraw/zinc/11/95/03/413119503.db2.gz VDSFTYYOTVUQNJ-BMQDGWLCSA-N 1 0 284.381 0.756 10 0 CCAERO CCC[C@@H]([NH3+])C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000037799557 397385737 /nfs/dbraw/zinc/38/57/37/397385737.db2.gz GUVNKWPWDIAKAO-CHWSQXEVSA-N 1 0 269.389 0.437 10 0 CCAERO NS(=O)(=O)c1ccc(NC(=O)C2CCC([NH3+])CC2)cc1 ZINC000037623054 397383160 /nfs/dbraw/zinc/38/31/60/397383160.db2.gz PVEKCNPQXCCPJO-UHFFFAOYSA-N 1 0 297.380 0.790 10 0 CCAERO O=C(CCc1ccsc1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262069919 143935361 /nfs/dbraw/zinc/93/53/61/143935361.db2.gz BMZNXRIYVWFGIK-QWRGUYRKSA-N 1 0 254.355 0.377 10 0 CCAERO Cc1ccc(SCC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262121647 143939856 /nfs/dbraw/zinc/93/98/56/143939856.db2.gz FYWGVVTZFNWJGM-AAEUAGOBSA-N 1 0 280.393 0.784 10 0 CCAERO CNC(=O)[C@H]([NH3+])CCC(=O)OCc1ccccc1 ZINC000309953306 397448364 /nfs/dbraw/zinc/44/83/64/397448364.db2.gz HLGRRQJSYNGKDP-LLVKDONJSA-N 1 0 250.298 0.583 10 0 CCAERO CC(=O)N[C@H]1CCCN(C(=O)C2CCC([NH3+])CC2)C1 ZINC000037815303 397387768 /nfs/dbraw/zinc/38/77/68/397387768.db2.gz VVHQVZUHMHORQB-BPCQOVAHSA-N 1 0 267.373 0.631 10 0 CCAERO CN(CCC[NH3+])Cc1cn(C[C@H](O)C(C)(C)C)nn1 ZINC000380901875 397483174 /nfs/dbraw/zinc/48/31/74/397483174.db2.gz HJIDRSIXNJITPS-LBPRGKRZSA-N 1 0 269.393 0.466 10 0 CCAERO C[C@@H]1C[C@@H](CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)CCO1 ZINC000371432696 144331720 /nfs/dbraw/zinc/33/17/20/144331720.db2.gz KXDBAMAZSXHLLV-HZSPNIEDSA-N 1 0 299.415 0.774 10 0 CCAERO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC000372169638 144356115 /nfs/dbraw/zinc/35/61/15/144356115.db2.gz KISUISVWTCZXJF-RYUDHWBXSA-N 1 0 276.402 0.425 10 0 CCAERO CC[N@@H+]1CC[C@@H](NCc2ccc(S(N)(=O)=O)o2)C1 ZINC000389223014 397509909 /nfs/dbraw/zinc/50/99/09/397509909.db2.gz GBUBEXYMCNLXJY-SECBINFHSA-N 1 0 273.358 0.111 10 0 CCAERO CCN1C[C@H](NC(=O)C2CCC([NH3+])CC2)CC1=O ZINC000391601739 397512612 /nfs/dbraw/zinc/51/26/12/397512612.db2.gz GRJMZKDGKLPOQY-VQXHTEKXSA-N 1 0 253.346 0.241 10 0 CCAERO CCOCCS(=O)(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261550704 286120791 /nfs/dbraw/zinc/12/07/91/286120791.db2.gz LNQDOCLXINQOQY-JTQLQIEISA-N 1 0 264.391 0.412 10 0 CCAERO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)NC(N)=O)C12CCCC2 ZINC000121219468 286245972 /nfs/dbraw/zinc/24/59/72/286245972.db2.gz OOABJDLKGCTJEH-GHMZBOCLSA-N 1 0 283.372 0.851 10 0 CCAERO CCO[C@@H]1C[C@@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C12CCC2 ZINC000333141163 286258776 /nfs/dbraw/zinc/25/87/76/286258776.db2.gz DAEUCVJUJBQCFG-WUHRBBMRSA-N 1 0 297.399 0.308 10 0 CCAERO CN(C(=O)c1nnn(C(C)(C)C)n1)[C@@H]1CCC[NH2+]CC1 ZINC000659303736 413393926 /nfs/dbraw/zinc/39/39/26/413393926.db2.gz ITNSPAUTLZPZTF-SNVBAGLBSA-N 1 0 280.376 0.642 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCCO[C@H]1CC1(F)F ZINC000659345366 413437873 /nfs/dbraw/zinc/43/78/73/413437873.db2.gz IZUUTUHAHSWUJQ-GUBZILKMSA-N 1 0 262.300 0.902 10 0 CCAERO C[C@@H](NC(=O)N1CC[NH2+]C[C@@H]1C)[C@@H]1CCCOC1 ZINC000333579019 286957154 /nfs/dbraw/zinc/95/71/54/286957154.db2.gz NKUJQCHZQMHLFB-QJPTWQEYSA-N 1 0 255.362 0.805 10 0 CCAERO C[C@@H](NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CCCO1 ZINC000333726179 286967374 /nfs/dbraw/zinc/96/73/74/286967374.db2.gz HDAFAOVJOMTIHZ-WISYIIOYSA-N 1 0 253.346 0.415 10 0 CCAERO CN1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCC1=O ZINC000659374165 413458468 /nfs/dbraw/zinc/45/84/68/413458468.db2.gz HZWSZVKTOYBCTQ-GHMZBOCLSA-N 1 0 253.346 0.052 10 0 CCAERO CC(C)(CO)[NH2+]C[C@H](O)COc1ccccc1F ZINC000006364135 170195681 /nfs/dbraw/zinc/19/56/81/170195681.db2.gz WFPYIARIVMFGJS-JTQLQIEISA-N 1 0 257.305 0.926 10 0 CCAERO C[C@@H]([NH3+])c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000012506360 170492174 /nfs/dbraw/zinc/49/21/74/170492174.db2.gz BTHINPVZOYUHBK-SNVBAGLBSA-N 1 0 270.354 0.727 10 0 CCAERO [NH3+]Cc1cn(CC(=O)NCCc2ccc(F)cc2)nn1 ZINC000050224994 411676859 /nfs/dbraw/zinc/67/68/59/411676859.db2.gz BXSSKABHCSLHKQ-UHFFFAOYSA-N 1 0 277.303 0.235 10 0 CCAERO [NH3+]Cc1cn(CC(=O)N2CCc3ccccc32)nn1 ZINC000050224877 411677057 /nfs/dbraw/zinc/67/70/57/411677057.db2.gz RPRWBLFJTSWYGH-UHFFFAOYSA-N 1 0 257.297 0.326 10 0 CCAERO C[C@@H](NC(=O)Cn1cc(C[NH3+])nn1)c1ccc(F)cc1 ZINC000050224216 411677205 /nfs/dbraw/zinc/67/72/05/411677205.db2.gz XQXFFRGUCVWIGI-SECBINFHSA-N 1 0 277.303 0.753 10 0 CCAERO CC(=O)N[C@@H]1CCCN(C(=O)CCC(C)(C)[NH3+])C1 ZINC000070087666 411690332 /nfs/dbraw/zinc/69/03/32/411690332.db2.gz AZLVHCTTZAMGLU-LLVKDONJSA-N 1 0 255.362 0.631 10 0 CCAERO [NH3+][C@H](CCC(=O)N[C@H]1CCCNC1=O)c1ccccc1 ZINC000071401369 411693802 /nfs/dbraw/zinc/69/38/02/411693802.db2.gz YZBWUSUNQZZLSH-OLZOCXBDSA-N 1 0 275.352 0.861 10 0 CCAERO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CNC(=O)C1 ZINC000110432844 411701213 /nfs/dbraw/zinc/70/12/13/411701213.db2.gz ZPPSNLTYHJHYLJ-NEPJUHHUSA-N 1 0 269.389 0.749 10 0 CCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000314578209 411758016 /nfs/dbraw/zinc/75/80/16/411758016.db2.gz LUSAGPINUGKYMN-RFQIPJPRSA-N 1 0 272.389 0.177 10 0 CCAERO C[C@H]1CCCN1CC(=O)Nc1ccn([C@H]2CC[NH2+]C2)n1 ZINC000328645296 411759336 /nfs/dbraw/zinc/75/93/36/411759336.db2.gz ZNZCWHORRMNVQG-RYUDHWBXSA-N 1 0 277.372 0.840 10 0 CCAERO O=C(COCC(F)(F)F)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404087203 411791124 /nfs/dbraw/zinc/79/11/24/411791124.db2.gz VCBKKXGSJBMIII-DTWKUNHWSA-N 1 0 282.262 0.155 10 0 CCAERO CCO[C@@H]1CN(c2nccc(OC)n2)C[C@H]1C[NH3+] ZINC000405316984 411800055 /nfs/dbraw/zinc/80/00/55/411800055.db2.gz XBBULLJNFXTHNF-NXEZZACHSA-N 1 0 252.318 0.285 10 0 CCAERO CCO[C@@H]1CN(c2nnc(C)c(C)n2)C[C@H]1C[NH3+] ZINC000405284229 411800214 /nfs/dbraw/zinc/80/02/14/411800214.db2.gz DIFSMSHUEHZLES-GHMZBOCLSA-N 1 0 251.334 0.288 10 0 CCAERO COCCC(=O)N[C@@H]1C[NH2+]CC[C@H]1C(F)(F)F ZINC000616570594 411841314 /nfs/dbraw/zinc/84/13/14/411841314.db2.gz HCALPWOTQQJNGE-HTQZYQBOSA-N 1 0 254.252 0.680 10 0 CCAERO COc1cc(C[NH3+])ccc1OCC(=O)N1CCOCC1 ZINC000019816769 170881364 /nfs/dbraw/zinc/88/13/64/170881364.db2.gz LLFZFSZVUSQCOG-UHFFFAOYSA-N 1 0 280.324 0.392 10 0 CCAERO C[NH2+]C[C@@H](O)CSc1nnc2n1CCCCC2 ZINC000019865239 170899284 /nfs/dbraw/zinc/89/92/84/170899284.db2.gz JCWHZWUQRTXCHH-SECBINFHSA-N 1 0 256.375 0.677 10 0 CCAERO CCc1nn2c(nc(CN3CC[NH2+]CC3)cc2=O)s1 ZINC000020130016 171018673 /nfs/dbraw/zinc/01/86/73/171018673.db2.gz GMJWOTRCXHKSPS-UHFFFAOYSA-N 1 0 279.369 0.119 10 0 CCAERO Cc1ccc(C[NH3+])cc1S(=O)(=O)N1CCOCC1 ZINC000020189375 171055600 /nfs/dbraw/zinc/05/56/00/171055600.db2.gz YBGPZOOYLLHORK-UHFFFAOYSA-N 1 0 270.354 0.475 10 0 CCAERO CS(=O)(=O)NCC[NH2+][C@@H]1CCOc2ccccc21 ZINC000020203590 171068241 /nfs/dbraw/zinc/06/82/41/171068241.db2.gz ZYWJDHCYVKEBFV-LLVKDONJSA-N 1 0 270.354 0.649 10 0 CCAERO CN(C)S(=O)(=O)N(C)c1ccc(OCC[NH3+])cc1 ZINC000020225109 171087256 /nfs/dbraw/zinc/08/72/56/171087256.db2.gz SMACPGKUFWJIQD-UHFFFAOYSA-N 1 0 273.358 0.267 10 0 CCAERO [NH3+][C@@H]1CCCCN1S(=O)(=O)N1CCCCCC1 ZINC000020256092 171110381 /nfs/dbraw/zinc/11/03/81/171110381.db2.gz BYSJDKOZCDVEGV-NSHDSACASA-N 1 0 261.391 0.878 10 0 CCAERO CNS(=O)(=O)c1ccc(OCCC[NH3+])c(C)c1 ZINC000020267880 171124332 /nfs/dbraw/zinc/12/43/32/171124332.db2.gz TUFTZPYCVDSARQ-UHFFFAOYSA-N 1 0 258.343 0.631 10 0 CCAERO [NH3+]CCCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000020269696 171125253 /nfs/dbraw/zinc/12/52/53/171125253.db2.gz KPLCTTISOSBOKN-UHFFFAOYSA-N 1 0 284.381 0.599 10 0 CCAERO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCc1ccc(F)cc1 ZINC000020302909 171140376 /nfs/dbraw/zinc/14/03/76/171140376.db2.gz CINOSMHGMAPDFB-SECBINFHSA-N 1 0 267.304 0.802 10 0 CCAERO CNC(=O)NC(=O)[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC000020302914 171140574 /nfs/dbraw/zinc/14/05/74/171140574.db2.gz QNFQFJBEPKQRCB-MRVPVSSYSA-N 1 0 253.277 0.759 10 0 CCAERO [NH3+]CCS(=O)(=O)CCOc1ccc2c(c1)CCC2 ZINC000020399515 171181492 /nfs/dbraw/zinc/18/14/92/171181492.db2.gz CFYHHMJHQSLCOV-UHFFFAOYSA-N 1 0 269.366 0.928 10 0 CCAERO C[C@@H]([NH3+])c1cccc(O[C@@H](C)C(=O)NC(N)=O)c1 ZINC000020419774 171185365 /nfs/dbraw/zinc/18/53/65/171185365.db2.gz NNAIGSBTQFBTCJ-SFYZADRCSA-N 1 0 251.286 0.669 10 0 CCAERO NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C[NH3+])cc2)C1 ZINC000022176775 171371072 /nfs/dbraw/zinc/37/10/72/171371072.db2.gz JJEXOZCNVKCXIY-NSHDSACASA-N 1 0 297.380 0.031 10 0 CCAERO C[C@@H](C(=O)Nc1ccccc1N)[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000022219302 171377194 /nfs/dbraw/zinc/37/71/94/171377194.db2.gz OWNSCHOROIKUTD-WDEREUQCSA-N 1 0 290.367 0.793 10 0 CCAERO CC(=O)N1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC1 ZINC000653043435 412198805 /nfs/dbraw/zinc/19/88/05/412198805.db2.gz WJCJWKJDTBSHPM-NXEZZACHSA-N 1 0 293.289 0.075 10 0 CCAERO NC(=O)[C@@]1(O)CC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000284847021 196143008 /nfs/dbraw/zinc/14/30/08/196143008.db2.gz CLVJTTPDBPJQPO-OAHLLOKOSA-N 1 0 271.320 0.657 10 0 CCAERO COC[C@]1(C(=O)N[C@H]2CCS[C@@H]2C)CCC[NH2+]1 ZINC000653176064 412253706 /nfs/dbraw/zinc/25/37/06/412253706.db2.gz JKCWXLDHJPGMSI-SCVCMEIPSA-N 1 0 258.387 0.765 10 0 CCAERO COc1cc(C[NH2+][C@@H](C)C(N)=O)cc(OC)c1O ZINC000035148775 172010987 /nfs/dbraw/zinc/01/09/87/172010987.db2.gz FHYYAIVVACWPBO-ZETCQYMHSA-N 1 0 254.286 0.373 10 0 CCAERO Cc1cccc(N)c1S(=O)(=O)NCC[NH+](C)C ZINC000035346785 172139391 /nfs/dbraw/zinc/13/93/91/172139391.db2.gz MPIAYUXUALMUOM-UHFFFAOYSA-N 1 0 257.359 0.417 10 0 CCAERO NS(=O)(=O)c1ccccc1NC1CC[NH2+]CC1 ZINC000035353341 172143641 /nfs/dbraw/zinc/14/36/41/172143641.db2.gz SVOAJMFPBRYPKL-UHFFFAOYSA-N 1 0 255.343 0.498 10 0 CCAERO Cc1cnn(C)c1S(=O)(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000285225321 196226028 /nfs/dbraw/zinc/22/60/28/196226028.db2.gz QBYWVVOXBGYMTN-SNVBAGLBSA-N 1 0 272.374 0.053 10 0 CCAERO CC(C)NS(=O)(=O)c1ccc(N[C@H]2C[C@@H]2[NH3+])cc1 ZINC000036268042 172563294 /nfs/dbraw/zinc/56/32/94/172563294.db2.gz LPCKWPOXUWSBMH-RYUDHWBXSA-N 1 0 269.370 0.885 10 0 CCAERO CCC[C@H](C)N(C)S(=O)(=O)N1CCC[NH2+]CC1 ZINC000036791089 172710761 /nfs/dbraw/zinc/71/07/61/172710761.db2.gz HHUAGYPBEYKCNR-NSHDSACASA-N 1 0 263.407 0.647 10 0 CCAERO CCC[NH2+]C[C@@H](O)Cn1ncc(=O)c2ccccc21 ZINC000036867241 172764430 /nfs/dbraw/zinc/76/44/30/172764430.db2.gz CUOCTSAYDQPURN-LLVKDONJSA-N 1 0 261.325 0.757 10 0 CCAERO C[NH+]1CCC(NC(=O)COc2ccccc2N)CC1 ZINC000037266946 173076334 /nfs/dbraw/zinc/07/63/34/173076334.db2.gz RZDOCACJSKPPFH-UHFFFAOYSA-N 1 0 263.341 0.858 10 0 CCAERO C[N@H+](CCC(=O)Nc1cc(Cl)ccc1N)CC(N)=O ZINC000037268097 173079391 /nfs/dbraw/zinc/07/93/91/173079391.db2.gz YLTZVPZBDZTTJF-UHFFFAOYSA-N 1 0 284.747 0.668 10 0 CCAERO CCC[NH2+]C[C@H](O)Cn1cnc2ccsc2c1=O ZINC000037382765 173168070 /nfs/dbraw/zinc/16/80/70/173168070.db2.gz XESULNDAXPJBSW-VIFPVBQESA-N 1 0 267.354 0.819 10 0 CCAERO CCC[NH2+]C1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000037536852 173255749 /nfs/dbraw/zinc/25/57/49/173255749.db2.gz MZISCARMMYYEPW-UHFFFAOYSA-N 1 0 291.417 0.027 10 0 CCAERO CCCN(Cc1nc(N)nc(N)n1)C1CC[NH2+]CC1 ZINC000037539151 173260207 /nfs/dbraw/zinc/26/02/07/173260207.db2.gz ZLFACCRXBKCDMB-UHFFFAOYSA-N 1 0 265.365 0.000 10 0 CCAERO CC(C)[NH2+]CCCC(=O)N[C@H](C)c1nncn1C ZINC000037634476 173583037 /nfs/dbraw/zinc/58/30/37/173583037.db2.gz RJCMZRPTSGLAMZ-SNVBAGLBSA-N 1 0 253.350 0.771 10 0 CCAERO CCOC(=O)[C@@H]1CSCCN1C(=O)CCC[NH3+] ZINC000037803852 173743071 /nfs/dbraw/zinc/74/30/71/173743071.db2.gz ASULNKHVRBMHJR-VIFPVBQESA-N 1 0 260.359 0.232 10 0 CCAERO CC[C@@H](C)[NH2+]CC(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000037815284 173763642 /nfs/dbraw/zinc/76/36/42/173763642.db2.gz AIZMHBAMQLMYFQ-PWSUYJOCSA-N 1 0 255.362 0.502 10 0 CCAERO CN(Cc1ccc(O)cc1)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000037823224 173777551 /nfs/dbraw/zinc/77/75/51/173777551.db2.gz VVDHGNFZMLSEHJ-RYUDHWBXSA-N 1 0 250.298 0.073 10 0 CCAERO COC(=O)[C@H](c1ccc(O)cc1)N1CCC[NH2+]CC1 ZINC000037959450 173903569 /nfs/dbraw/zinc/90/35/69/173903569.db2.gz BCMLXHKJKNQITJ-ZDUSSCGKSA-N 1 0 264.325 0.902 10 0 CCAERO CCCN1C(=O)C[C@H]([NH2+]C[C@H](C)N2CCCCC2)C1=O ZINC000038029195 174019482 /nfs/dbraw/zinc/01/94/82/174019482.db2.gz IMLNSGGKVNQTJW-STQMWFEESA-N 1 0 281.400 0.988 10 0 CCAERO CN(CC(=O)N1CC[NH2+]CC1)[C@@H]1CCOc2ccccc21 ZINC000038031087 174024758 /nfs/dbraw/zinc/02/47/58/174024758.db2.gz NRPTUMNQOOZBIC-CQSZACIVSA-N 1 0 289.379 0.874 10 0 CCAERO Cc1ccccc1OCCN(C)CC(=O)N1CC[NH2+]CC1 ZINC000038031385 174026003 /nfs/dbraw/zinc/02/60/03/174026003.db2.gz HDMPJRRPSBKSPX-UHFFFAOYSA-N 1 0 291.395 0.737 10 0 CCAERO COc1ccc(F)cc1CN(C)CC(=O)N1CC[NH2+]CC1 ZINC000038031379 174026309 /nfs/dbraw/zinc/02/63/09/174026309.db2.gz YMQDGFONVBHECR-UHFFFAOYSA-N 1 0 295.358 0.698 10 0 CCAERO C[C@H]([NH2+]CCCS(C)(=O)=O)C(=O)N1CCCCC1 ZINC000038048147 174058700 /nfs/dbraw/zinc/05/87/00/174058700.db2.gz WZHLUICIFLIPGR-NSHDSACASA-N 1 0 276.402 0.412 10 0 CCAERO CCCN1C(=O)C[C@H]([NH2+]CCc2ccco2)C1=O ZINC000038059323 174069139 /nfs/dbraw/zinc/06/91/39/174069139.db2.gz JLIKMSWNEVTTEO-NSHDSACASA-N 1 0 250.298 0.949 10 0 CCAERO COC(=O)c1ccccc1C[NH2+]C[C@@H]1COCCO1 ZINC000038060908 174071662 /nfs/dbraw/zinc/07/16/62/174071662.db2.gz CTIVTHLABCQXFN-GFCCVEGCSA-N 1 0 265.309 0.978 10 0 CCAERO Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000038083197 174092678 /nfs/dbraw/zinc/09/26/78/174092678.db2.gz PLBJEAWVZVOMGN-JQWIXIFHSA-N 1 0 283.397 0.822 10 0 CCAERO CC(C)[NH2+]CCCC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000038083738 174093739 /nfs/dbraw/zinc/09/37/39/174093739.db2.gz FVPLVCQHFCQIIH-NSHDSACASA-N 1 0 276.402 0.316 10 0 CCAERO CC(C)CNC(=O)[C@H](C)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000038084227 174094413 /nfs/dbraw/zinc/09/44/13/174094413.db2.gz RSNOFXNZXPWJHX-WDEREUQCSA-N 1 0 276.402 0.171 10 0 CCAERO COC(=O)N1CCN(C(=O)C2CCC([NH3+])CC2)CC1 ZINC000038101787 174117631 /nfs/dbraw/zinc/11/76/31/174117631.db2.gz QTBKQCYKCFGURU-UHFFFAOYSA-N 1 0 269.345 0.415 10 0 CCAERO C[NH+](C)[C@H](CNC(=O)C1=NNC(=O)CC1)c1ccccc1 ZINC000040413240 174255085 /nfs/dbraw/zinc/25/50/85/174255085.db2.gz QUGYCDLQHPLPMW-CYBMUJFWSA-N 1 0 288.351 0.672 10 0 CCAERO CCc1nnc(CN(C)[C@H](C[NH3+])C(F)(F)F)n1C ZINC000662330973 414710606 /nfs/dbraw/zinc/71/06/06/414710606.db2.gz DJONHJBQMJKNMW-SSDOTTSWSA-N 1 0 265.283 0.699 10 0 CCAERO Cn1ncc(Cl)c1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000662424842 414717135 /nfs/dbraw/zinc/71/71/35/414717135.db2.gz YQFBGIOFICSZGR-APPZFPTMSA-N 1 0 256.737 0.931 10 0 CCAERO CC(C)[C@H](NC(=O)c1cccc2c1C[NH2+]C2)C(N)=O ZINC000662451101 414719887 /nfs/dbraw/zinc/71/98/87/414719887.db2.gz ZNTJWIVLWGPLGB-LBPRGKRZSA-N 1 0 261.325 0.530 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)C1CCC2(CC2)CC1 ZINC000662563455 414728843 /nfs/dbraw/zinc/72/88/43/414728843.db2.gz PECNXGHTUSAUPJ-NWDGAFQWSA-N 1 0 252.358 0.653 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000662711447 414745171 /nfs/dbraw/zinc/74/51/71/414745171.db2.gz NEEXFJOZNVMNCW-RNJOBUHISA-N 1 0 252.358 0.869 10 0 CCAERO COC[C@]1(C(=O)N[C@H](CO)C2CCC2)CCC[NH2+]1 ZINC000662855300 414846968 /nfs/dbraw/zinc/84/69/68/414846968.db2.gz WHPCUQMKAPFTPS-YPMHNXCESA-N 1 0 256.346 0.032 10 0 CCAERO C[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)S(C)(=O)=O ZINC000662973207 414927413 /nfs/dbraw/zinc/92/74/13/414927413.db2.gz PZGUFHHOFPXCLU-KXUCPTDWSA-N 1 0 262.375 0.053 10 0 CCAERO C[C@@H](C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)n1cccn1 ZINC000662975649 414929386 /nfs/dbraw/zinc/92/93/86/414929386.db2.gz JQDQVDMSFBDTBT-JGVFFNPUSA-N 1 0 264.251 0.792 10 0 CCAERO CN(C(=O)Cn1cccn1)[C@@H](C[NH3+])C(F)(F)F ZINC000662979837 414932096 /nfs/dbraw/zinc/93/20/96/414932096.db2.gz COBIVTMTKNMWTO-ZETCQYMHSA-N 1 0 250.224 0.231 10 0 CCAERO COC[C@]1(C(=O)N2CC[C@@H]3COC[C@H]3C2)CCC[NH2+]1 ZINC000662920323 414893579 /nfs/dbraw/zinc/89/35/79/414893579.db2.gz VQOKAZLMINSIAR-BZPMIXESSA-N 1 0 268.357 0.250 10 0 CCAERO CO[C@H](CNC(=O)[C@H]1C[NH2+]CCOC1)C1CCCC1 ZINC000662922826 414895163 /nfs/dbraw/zinc/89/51/63/414895163.db2.gz YVPSAFJFADTARZ-QWHCGFSZSA-N 1 0 270.373 0.544 10 0 CCAERO COc1ccc(NS(=O)(=O)N(C)CCC[NH3+])cc1 ZINC000042524822 174774661 /nfs/dbraw/zinc/77/46/61/174774661.db2.gz ZSFRLEMCUZFPEO-UHFFFAOYSA-N 1 0 273.358 0.633 10 0 CCAERO [NH3+]CCCCS(=O)(=O)NCCc1ccc(O)cc1 ZINC000042533465 174781812 /nfs/dbraw/zinc/78/18/12/174781812.db2.gz XZGDGFBHWUJOMG-UHFFFAOYSA-N 1 0 272.370 0.593 10 0 CCAERO Cc1cnc(NCc2nc(C[NH3+])cc(=O)[nH]2)nc1C ZINC000663276947 415033962 /nfs/dbraw/zinc/03/39/62/415033962.db2.gz GRMWLTBDHCKODC-UHFFFAOYSA-N 1 0 260.301 0.660 10 0 CCAERO [NH3+][C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cncc(F)c1 ZINC000044262020 175157527 /nfs/dbraw/zinc/15/75/27/175157527.db2.gz AULNJDYONFDRTN-MNOVXSKESA-N 1 0 273.333 0.769 10 0 CCAERO CN(Cc1cc(C(N)=O)ccc1F)[C@@H]1CC[NH2+]C1 ZINC000071310902 176118032 /nfs/dbraw/zinc/11/80/32/176118032.db2.gz NXYFUXOTQGDLBJ-LLVKDONJSA-N 1 0 251.305 0.718 10 0 CCAERO CNC(=O)[C@@H](C)[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000071335903 176127523 /nfs/dbraw/zinc/12/75/23/176127523.db2.gz DEWJLLHEEURYHB-MRVPVSSYSA-N 1 0 257.334 0.330 10 0 CCAERO Cc1n[nH]c(C)c1S(=O)(=O)NC[C@H]1[NH2+]CCC[C@H]1C ZINC000071339047 176129360 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PWCMMYBJYVTRSD-AWEZNQCLSA-N 1 0 295.427 0.840 10 0 CCAERO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112654315 276154517 /nfs/dbraw/zinc/15/45/17/276154517.db2.gz GSTNYXLUQKFFGZ-VXGBXAGGSA-N 1 0 277.372 0.584 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2C(=O)NCC[C@H]2C)C1 ZINC000193906406 276375738 /nfs/dbraw/zinc/37/57/38/276375738.db2.gz GWYGENPVOYYTIK-GRYCIOLGSA-N 1 0 282.388 0.295 10 0 CCAERO CN(c1ccc2nnc(C(F)(F)F)n2n1)C1C[NH2+]C1 ZINC000234270749 277002843 /nfs/dbraw/zinc/00/28/43/277002843.db2.gz WYQVODGPNSUIHL-UHFFFAOYSA-N 1 0 272.234 0.551 10 0 CCAERO CN1C(=O)C[C@H]([NH2+][C@H]2CCC(=O)NC2)c2ccccc21 ZINC000111015594 277015111 /nfs/dbraw/zinc/01/51/11/277015111.db2.gz XLZQPBCQHJOCFT-JQWIXIFHSA-N 1 0 273.336 0.962 10 0 CCAERO CN1C(=O)[C@H]2C[N@H+](Cc3ccc4c[nH]nc4c3)CCN2C1=O ZINC000369419493 277020654 /nfs/dbraw/zinc/02/06/54/277020654.db2.gz RTMHSZDIMQCBFD-CYBMUJFWSA-N 1 0 299.334 0.641 10 0 CCAERO CNS(=O)(=O)CCC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000407948048 277034800 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CCn1cc(CNC(=O)[C@H]2CCC[NH2+][C@H]2C)nn1 ZINC000404470271 545091557 /nfs/dbraw/zinc/09/15/57/545091557.db2.gz YHWQSPXSBJYTSU-ONGXEEELSA-N 1 0 251.334 0.302 10 0 CCAERO COC[C@H](C)S(=O)(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000399685040 326809250 /nfs/dbraw/zinc/80/92/50/326809250.db2.gz LGEOHBSUAKJDJK-QWRGUYRKSA-N 1 0 264.391 0.425 10 0 CCAERO CC(C)CN1C[C@H](C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)CC1=O ZINC000583435042 327361672 /nfs/dbraw/zinc/36/16/72/327361672.db2.gz CNZLEGNQUBIHNK-TUAOUCFPSA-N 1 0 267.373 0.297 10 0 CCAERO C[C@@H]1C[C@@H](CNC(=O)C(C)(C)N2CC[NH2+]CC2)CCO1 ZINC000389163931 328634445 /nfs/dbraw/zinc/63/44/45/328634445.db2.gz XGYMRDAGWFQWBM-OLZOCXBDSA-N 1 0 283.416 0.602 10 0 CCAERO CON1CCC([NH2+]C[C@@H](O)COCc2ccco2)CC1 ZINC000583138596 329325564 /nfs/dbraw/zinc/32/55/64/329325564.db2.gz BIHZPGUDKITAAI-CYBMUJFWSA-N 1 0 284.356 0.773 10 0 CCAERO CN(C(=O)[C@@H]1CC(=O)N(C2CC2)C1)[C@@H]1CCC[NH2+]CC1 ZINC000583316889 329449499 /nfs/dbraw/zinc/44/94/99/329449499.db2.gz XXKKGBYNVVSQGI-VXGBXAGGSA-N 1 0 279.384 0.598 10 0 CCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H]1CCN(C)C1=O ZINC000172549569 335109070 /nfs/dbraw/zinc/10/90/70/335109070.db2.gz BTJRCYCQMKYQJR-NEPJUHHUSA-N 1 0 284.404 0.493 10 0 CCAERO CCc1cnc(N2CCO[C@H]3C[NH2+]CC[C@H]3C2)nc1 ZINC000253606580 333186054 /nfs/dbraw/zinc/18/60/54/333186054.db2.gz VAHLAAJVSDYUKF-STQMWFEESA-N 1 0 262.357 0.854 10 0 CCAERO COC(C)(C)CNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000173234361 335130060 /nfs/dbraw/zinc/13/00/60/335130060.db2.gz UGVKASDCEUNAJF-LLVKDONJSA-N 1 0 273.377 0.383 10 0 CCAERO CC(C)N1CCC[C@@H]([N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1=O ZINC000192536344 335275451 /nfs/dbraw/zinc/27/54/51/335275451.db2.gz JVXPAKHGYIAVCI-CHWSQXEVSA-N 1 0 281.400 0.938 10 0 CCAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCCCn1ccnn1 ZINC000182852902 335847005 /nfs/dbraw/zinc/84/70/05/335847005.db2.gz OVKWCRINGBQZQL-ZDUSSCGKSA-N 1 0 296.419 0.944 10 0 CCAERO O=C(CC[C@@H]1CCCO1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000579826430 335897484 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/nfs/dbraw/zinc/16/32/29/520163229.db2.gz RXDPEMGCVOHFST-SNVBAGLBSA-N 1 0 256.346 0.929 10 0 CCAERO CC[NH2+][C@H](C)CC(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000061271642 520166754 /nfs/dbraw/zinc/16/67/54/520166754.db2.gz HWLVYOLTFCYJAP-VXGBXAGGSA-N 1 0 269.389 0.892 10 0 CCAERO CCN[C@H](CC[N@H+](CC)[C@@H](C)COC)C(=O)OC ZINC000062457075 520186882 /nfs/dbraw/zinc/18/68/82/520186882.db2.gz MGJQSXUJFUNZEZ-NWDGAFQWSA-N 1 0 260.378 0.884 10 0 CCAERO CCCCN(CCO)S(=O)(=O)C[C@H]1CCC[NH2+]C1 ZINC000049645135 520524615 /nfs/dbraw/zinc/52/46/15/520524615.db2.gz YRYDEBVYACZOGK-LBPRGKRZSA-N 1 0 278.418 0.410 10 0 CCAERO CCC(CC)N1C(=O)C[C@H]([NH2+]C[C@@H]2CCOC2)C1=O ZINC000061146609 521562020 /nfs/dbraw/zinc/56/20/20/521562020.db2.gz VVNPDMMYNDHDLS-JQWIXIFHSA-N 1 0 268.357 0.929 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H]1CCCCNC1=O ZINC000332746066 535599671 /nfs/dbraw/zinc/59/96/71/535599671.db2.gz HMXIZHDYAIKWPX-OLZOCXBDSA-N 1 0 281.400 0.893 10 0 CCAERO CC(C)(C)[NH2+]CCc1nc(CS(C)(=O)=O)no1 ZINC000052788468 518759437 /nfs/dbraw/zinc/75/94/37/518759437.db2.gz NSCWXFDCBGCOCH-UHFFFAOYSA-N 1 0 261.347 0.545 10 0 CCAERO CC(C)Cn1ccnc(N2CCC[C@@H]2C[NH3+])c1=O ZINC000061772231 519517838 /nfs/dbraw/zinc/51/78/38/519517838.db2.gz AVLFSBYXMTWFIE-LLVKDONJSA-N 1 0 250.346 0.827 10 0 CCAERO CC(C)[NH2+][C@H](CCOc1cccc(CO)c1)C(N)=O ZINC000062542168 519738423 /nfs/dbraw/zinc/73/84/23/519738423.db2.gz GLRHVNKCRYNVDI-CYBMUJFWSA-N 1 0 266.341 0.800 10 0 CCAERO CCCNC(=O)[C@@H](C)NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050943939 519888213 /nfs/dbraw/zinc/88/82/13/519888213.db2.gz YISYYYDGXUYTMJ-NEPJUHHUSA-N 1 0 269.389 0.940 10 0 CCAERO CCCNC(=O)[C@H](C)NC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050943948 519891677 /nfs/dbraw/zinc/89/16/77/519891677.db2.gz YISYYYDGXUYTMJ-NWDGAFQWSA-N 1 0 269.389 0.940 10 0 CCAERO CC[NH2+]CCC(=O)Nc1ccccc1-n1cnnn1 ZINC000061291602 519918702 /nfs/dbraw/zinc/91/87/02/519918702.db2.gz GNNTWBRXIURAKT-UHFFFAOYSA-N 1 0 260.301 0.600 10 0 CCAERO CCC[NH2+][C@H](CCOC[C@H]1CCCCO1)C(N)=O ZINC000062544697 520077116 /nfs/dbraw/zinc/07/71/16/520077116.db2.gz ZQSLZGNJALGIGP-VXGBXAGGSA-N 1 0 258.362 0.816 10 0 CCAERO CC1(C(=O)N2CCCC[C@H]2C(N)=O)CC[NH2+]CC1 ZINC000062840489 520213031 /nfs/dbraw/zinc/21/30/31/520213031.db2.gz JDPFMWMWQMRVSB-JTQLQIEISA-N 1 0 253.346 0.243 10 0 CCAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1cccc2nsnc21 ZINC000262381810 536344058 /nfs/dbraw/zinc/34/40/58/536344058.db2.gz XYOOXTMGIOGXRN-ZETCQYMHSA-N 1 0 286.382 0.578 10 0 CCAERO CCN(CC)C(=O)C[NH2+][C@@H](C)CN1CCOCC1 ZINC000049505265 520487958 /nfs/dbraw/zinc/48/79/58/520487958.db2.gz YBILMZZWGKTAKD-LBPRGKRZSA-N 1 0 257.378 0.165 10 0 CCAERO CCN1C(=O)C[C@H]([NH2+][C@H](CN(C)C)C(C)C)C1=O ZINC000049200323 521524903 /nfs/dbraw/zinc/52/49/03/521524903.db2.gz JGVNHUYLHMHLAT-WDEREUQCSA-N 1 0 255.362 0.310 10 0 CCAERO CNC(=O)[C@H]1CCCN1C(=O)[C@H]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000055141676 521750580 /nfs/dbraw/zinc/75/05/80/521750580.db2.gz JNPATWIQXNCTIF-WHOHXGKFSA-N 1 0 267.373 0.487 10 0 CCAERO C[NH+](C)C[C@H]1CCCN1C(=O)c1cc(NN)ccn1 ZINC000061656111 521864155 /nfs/dbraw/zinc/86/41/55/521864155.db2.gz GFMOEFRLHHQZDO-LLVKDONJSA-N 1 0 263.345 0.533 10 0 CCAERO COC1CCN(S(=O)(=O)CCC[NH2+]C(C)C)CC1 ZINC000049643156 522708378 /nfs/dbraw/zinc/70/83/78/522708378.db2.gz ATSFUSSHIBJRTP-UHFFFAOYSA-N 1 0 278.418 0.815 10 0 CCAERO CN(C[C@@H]1CCCO1)S(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000049631314 523054051 /nfs/dbraw/zinc/05/40/51/523054051.db2.gz CCKOEQLVKXWXKL-RYUDHWBXSA-N 1 0 276.402 0.569 10 0 CCAERO CN(C[C@H]1CCCO1)S(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000049644892 523127952 /nfs/dbraw/zinc/12/79/52/523127952.db2.gz NIMHVHRLZJCJIO-WDEREUQCSA-N 1 0 262.375 0.179 10 0 CCAERO CO[C@@H](C(=O)N[C@H]1C[NH2+]C[C@@H]1OC)c1ccccc1 ZINC000050438002 523333093 /nfs/dbraw/zinc/33/30/93/523333093.db2.gz JSPDXRCXMZCRSV-RWMBFGLXSA-N 1 0 264.325 0.477 10 0 CCAERO CCn1cc(C[C@@H](C[NH3+])[C@@H]2CCS(=O)(=O)C2)cn1 ZINC000052946436 523394497 /nfs/dbraw/zinc/39/44/97/523394497.db2.gz DPNUNXQKNMILEU-NEPJUHHUSA-N 1 0 271.386 0.455 10 0 CCAERO CCn1cc(C[C@H](C[NH2+]C)[C@@H]2CCS(=O)(=O)C2)cn1 ZINC000052950002 523396746 /nfs/dbraw/zinc/39/67/46/523396746.db2.gz FADIWJJIIDDJDC-CHWSQXEVSA-N 1 0 285.413 0.716 10 0 CCAERO CC[C@]1(C(=O)N(CC(N)=O)C(C)C)CCC[NH2+]C1 ZINC000062854054 523533975 /nfs/dbraw/zinc/53/39/75/523533975.db2.gz YOBDKIFEIGHWGR-ZDUSSCGKSA-N 1 0 255.362 0.489 10 0 CCAERO CN1CCN(C(=O)[C@H]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000055145246 523879063 /nfs/dbraw/zinc/87/90/63/523879063.db2.gz IOXKPAHBQKKNMI-OLZOCXBDSA-N 1 0 253.390 0.916 10 0 CCAERO COCC[NH2+]C[C@@H]1CCCCN1CCCS(C)(=O)=O ZINC000063015320 523940542 /nfs/dbraw/zinc/94/05/42/523940542.db2.gz WLAQCSXCKZQWLQ-ZDUSSCGKSA-N 1 0 292.445 0.512 10 0 CCAERO COCC[NH2+]C[C@]1([C@@H]2CCS(=O)(=O)C2)CCOC1 ZINC000054666414 523946475 /nfs/dbraw/zinc/94/64/75/523946475.db2.gz PCTAXHOQUHKINR-VXGBXAGGSA-N 1 0 277.386 0.064 10 0 CCAERO COCC[NH2+]Cc1c(N(C)CCO)nc2sccn12 ZINC000062736412 523947289 /nfs/dbraw/zinc/94/72/89/523947289.db2.gz AWSLTCVSYLTLKR-UHFFFAOYSA-N 1 0 284.385 0.560 10 0 CCAERO COCCOCCNC(=O)C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000055137884 524004635 /nfs/dbraw/zinc/00/46/35/524004635.db2.gz AEHLPZOZIDVYLL-NWDGAFQWSA-N 1 0 258.362 0.673 10 0 CCAERO CO[C@H]1C[NH2+][C@H](C(=O)N2CCC[C@@H]2CCCO)C1 ZINC000052763647 524009333 /nfs/dbraw/zinc/00/93/33/524009333.db2.gz ZEJJXSZILXZYSE-UTUOFQBUSA-N 1 0 256.346 0.127 10 0 CCAERO C[C@H](CC[NH3+])N(C)S(=O)(=O)c1cncc(F)c1 ZINC000063085977 524172253 /nfs/dbraw/zinc/17/22/53/524172253.db2.gz HNFGDEAYNSDSOM-MRVPVSSYSA-N 1 0 261.322 0.579 10 0 CCAERO C[C@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)NCCN1CCOCC1 ZINC000055123622 524415150 /nfs/dbraw/zinc/41/51/50/524415150.db2.gz NUIFJASNPXDIDK-AVGNSLFASA-N 1 0 269.389 0.198 10 0 CCAERO COC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000616568977 545103096 /nfs/dbraw/zinc/10/30/96/545103096.db2.gz FNXRVGHOPKNWIS-NEPJUHHUSA-N 1 0 280.299 0.560 10 0 CCAERO Cc1cc(C)n2c(CN3CCC[NH2+]CC3)nnc2n1 ZINC000061145596 524561909 /nfs/dbraw/zinc/56/19/09/524561909.db2.gz HRBAIZNKSWEEOP-UHFFFAOYSA-N 1 0 260.345 0.536 10 0 CCAERO C[C@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C)c1cccnc1 ZINC000061592737 524853876 /nfs/dbraw/zinc/85/38/76/524853876.db2.gz DOUYEVVQPFRLCO-CBAPKCEASA-N 1 0 265.342 0.684 10 0 CCAERO C[C@@H](Cc1ccsc1)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC000049182144 524940022 /nfs/dbraw/zinc/94/00/22/524940022.db2.gz KIPMNQMOPBXSHZ-YUMQZZPRSA-N 1 0 255.343 0.852 10 0 CCAERO C[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCC[NH2+]2)CCO1 ZINC000049630572 525040320 /nfs/dbraw/zinc/04/03/20/525040320.db2.gz CRWBXNOPRKOAKO-MNOVXSKESA-N 1 0 262.375 0.179 10 0 CCAERO C[C@@H](NC(=O)C(=O)NCC[NH3+])c1ccccc1F ZINC000049528226 525044810 /nfs/dbraw/zinc/04/48/10/525044810.db2.gz GEVVNIMXBGEAMJ-MRVPVSSYSA-N 1 0 253.277 0.078 10 0 CCAERO C[C@H](O)CN(C)S(=O)(=O)CCC1CC[NH2+]CC1 ZINC000051839634 525743852 /nfs/dbraw/zinc/74/38/52/525743852.db2.gz VCWQWOVPORSKGJ-JTQLQIEISA-N 1 0 264.391 0.019 10 0 CCAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 ZINC000049556742 525744996 /nfs/dbraw/zinc/74/49/96/525744996.db2.gz PTZWVFKWHQIBSZ-RTXFEEFZSA-N 1 0 269.366 0.804 10 0 CCAERO Cc1ccc([C@H](C)NC(=O)[C@H]2C[C@H](O)C[NH2+]2)s1 ZINC000049185456 525908591 /nfs/dbraw/zinc/90/85/91/525908591.db2.gz FNZSEGGFJDMJLJ-LPEHRKFASA-N 1 0 254.355 0.957 10 0 CCAERO Cc1nnnn1-c1cc(NC(=O)C[NH3+])ccc1F ZINC000157463335 526429079 /nfs/dbraw/zinc/42/90/79/526429079.db2.gz WXLJVLVSNUALNB-UHFFFAOYSA-N 1 0 250.237 0.007 10 0 CCAERO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1)N1CCC1 ZINC000160834389 526804485 /nfs/dbraw/zinc/80/44/85/526804485.db2.gz GHAPJLOSCBDIKH-JSGCOSHPSA-N 1 0 252.358 0.846 10 0 CCAERO NC(=S)c1ncccc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000061659842 527123305 /nfs/dbraw/zinc/12/33/05/527123305.db2.gz HVNDMKVSYVTGLC-SNVBAGLBSA-N 1 0 251.355 0.673 10 0 CCAERO [NH3+]CCCN(C(=O)[C@H]1COCCO1)C1CCCCC1 ZINC000055297061 527177632 /nfs/dbraw/zinc/17/76/32/527177632.db2.gz OHHUGHVZLCNZTG-CYBMUJFWSA-N 1 0 270.373 0.912 10 0 CCAERO [NH3+]CCCS(=O)(=O)CC(=O)Nc1ccccc1F ZINC000058250422 527182184 /nfs/dbraw/zinc/18/21/84/527182184.db2.gz JNOOIFJHCCAZMP-UHFFFAOYSA-N 1 0 274.317 0.528 10 0 CCAERO O=S(=O)(C[C@@H]1CCC[NH2+]1)NCc1ccccn1 ZINC000049641960 527182489 /nfs/dbraw/zinc/18/24/89/527182489.db2.gz NCSSDRKKFGNTAS-NSHDSACASA-N 1 0 255.343 0.253 10 0 CCAERO [NH3+]Cc1cnc(N2CCN(c3ncccn3)CC2)s1 ZINC000054864489 527262927 /nfs/dbraw/zinc/26/29/27/527262927.db2.gz ZVLIKWGAJRRQNU-UHFFFAOYSA-N 1 0 276.369 0.718 10 0 CCAERO NNc1cc(CN2CCC(CC(N)=O)CC2)cc[nH+]1 ZINC000052722902 527274018 /nfs/dbraw/zinc/27/40/18/527274018.db2.gz VCEZHLGEEFVXFT-UHFFFAOYSA-N 1 0 263.345 0.455 10 0 CCAERO O=C(Cc1cccc2cccnc21)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262331992 527275164 /nfs/dbraw/zinc/27/51/64/527275164.db2.gz SIDJVCCORGDNOM-ZIAGYGMSSA-N 1 0 285.347 0.474 10 0 CCAERO Cc1nccc(CNC(=O)c2ccc(NN)[nH+]c2)n1 ZINC000051094863 527335834 /nfs/dbraw/zinc/33/58/34/527335834.db2.gz AHXQWRNGGNPCDS-UHFFFAOYSA-N 1 0 258.285 0.396 10 0 CCAERO CN1C[C@H]([C@H]2CC[NH2+]C[C@@H]2NC(=O)OC(C)(C)C)CN1 ZINC000669384893 545206339 /nfs/dbraw/zinc/20/63/39/545206339.db2.gz LUAVAJTWANYMQV-UTUOFQBUSA-N 1 0 284.404 0.555 10 0 CCAERO CCOC(=O)c1cccnc1NC[C@H]1C[NH2+]C[C@@H]1O ZINC000420259688 528269283 /nfs/dbraw/zinc/26/92/83/528269283.db2.gz ZBKWKTGZKWEASY-KOLCDFICSA-N 1 0 265.313 0.251 10 0 CCAERO CC(C)[C@H]([NH2+]C1CCS(=O)(=O)CC1)C(C)(C)O ZINC000408242489 535120206 /nfs/dbraw/zinc/12/02/06/535120206.db2.gz VDQQMPUDKPEJCM-NSHDSACASA-N 1 0 263.403 0.949 10 0 CCAERO [NH3+]C[C@H]1c2ccccc2OCCN1S(=O)(=O)C1CC1 ZINC000675057850 545320558 /nfs/dbraw/zinc/32/05/58/545320558.db2.gz LCLBLAUGMIJVLK-LBPRGKRZSA-N 1 0 282.365 0.873 10 0 CCAERO CCCCS(=O)(=O)NC[C@@]1(CCC)C[NH2+]CCO1 ZINC000675057776 545320615 /nfs/dbraw/zinc/32/06/15/545320615.db2.gz JLMOGORAEMLNGN-GFCCVEGCSA-N 1 0 278.418 0.865 10 0 CCAERO CCCCS(=O)(=O)N1CCO[C@@](C[NH3+])(CCC)C1 ZINC000675059325 545320953 /nfs/dbraw/zinc/32/09/53/545320953.db2.gz ODYLQWHRSOTUCJ-GFCCVEGCSA-N 1 0 278.418 0.946 10 0 CCAERO CC1(C(=O)NC[C@@]23C[NH2+]C[C@@H]2S(=O)(=O)CCC3)CC1 ZINC000675072716 545321114 /nfs/dbraw/zinc/32/11/14/545321114.db2.gz GMXMYBYFJFSKFN-GXFFZTMASA-N 1 0 286.397 0.070 10 0 CCAERO CC(C)c1cc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)on1 ZINC000262133087 535365649 /nfs/dbraw/zinc/36/56/49/535365649.db2.gz GPUSEFIJSRJFKY-PSASIEDQSA-N 1 0 253.302 0.108 10 0 CCAERO CC(C)c1ncc(Cl)c(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)n1 ZINC000262322615 535383447 /nfs/dbraw/zinc/38/34/47/535383447.db2.gz RMZYXBBXYCXPPW-SCZZXKLOSA-N 1 0 298.774 0.564 10 0 CCAERO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2COCCN2)C1 ZINC000262678398 535819629 /nfs/dbraw/zinc/81/96/29/535819629.db2.gz USYONACQHLIRPW-ZIAGYGMSSA-N 1 0 297.443 0.992 10 0 CCAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1ccc(F)c(F)c1F ZINC000261586140 536343767 /nfs/dbraw/zinc/34/37/67/536343767.db2.gz UDMVEPDTDHEDEY-LURJTMIESA-N 1 0 282.287 0.990 10 0 CCAERO C[NH2+][C@H](C)CNC(=O)Cn1nc(C)c(Cl)c1C ZINC000261860825 536393003 /nfs/dbraw/zinc/39/30/03/536393003.db2.gz YLAGAZZCASRXBS-SSDOTTSWSA-N 1 0 258.753 0.877 10 0 CCAERO C[NH2+][C@H](C)CNC(=O)[C@@H]1CSCN1C(=O)C1CCC1 ZINC000261738450 536398619 /nfs/dbraw/zinc/39/86/19/536398619.db2.gz MFFRGJWXBGVJPE-KOLCDFICSA-N 1 0 285.413 0.412 10 0 CCAERO CNC(=O)c1cc(OC)ccc1NC(=O)[C@@H](C)C1C[NH2+]C1 ZINC000262620859 536404527 /nfs/dbraw/zinc/40/45/27/536404527.db2.gz ZPHXSDWBKRWNPB-VIFPVBQESA-N 1 0 291.351 0.849 10 0 CCAERO COC[C@H]([NH3+])C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000262347874 536860362 /nfs/dbraw/zinc/86/03/62/536860362.db2.gz UEYAAXJJPAWJRP-ZJUUUORDSA-N 1 0 269.370 0.823 10 0 CCAERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000252442020 536860857 /nfs/dbraw/zinc/86/08/57/536860857.db2.gz GBGPSXMXHKZTPO-MJBXVCDLSA-N 1 0 299.415 0.964 10 0 CCAERO COC(=O)[C@@](C)([NH3+])CCn1cc(Br)cn1 ZINC000045437503 570262990 /nfs/dbraw/zinc/26/29/90/570262990.db2.gz HTJPYDPCFMGQAM-VIFPVBQESA-N 1 0 276.134 0.926 10 0 CCAERO CCc1nn(C)cc1C[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000393037655 581151899 /nfs/dbraw/zinc/15/18/99/581151899.db2.gz YNIKBPPKAPLTCX-BXKDBHETSA-N 1 0 250.346 0.739 10 0 CCAERO COc1ccc(C[NH2+]C2CCN(CCO)CC2)cn1 ZINC000399113999 581207479 /nfs/dbraw/zinc/20/74/79/581207479.db2.gz FJCGIEFSMWWNFK-UHFFFAOYSA-N 1 0 265.357 0.637 10 0 CCAERO CC(C)(C)OC(=O)N1CC[C@@]2(C1)COC[C@H](C[NH3+])O2 ZINC000757135917 581678689 /nfs/dbraw/zinc/67/86/89/581678689.db2.gz AEVWDUDQJIBJDU-GXFFZTMASA-N 1 0 272.345 0.740 10 0 CCAERO CC(C)(C)OC(=O)N1CC[C@@]2(C1)COC[C@@H](C[NH3+])O2 ZINC000757135922 581678714 /nfs/dbraw/zinc/67/87/14/581678714.db2.gz AEVWDUDQJIBJDU-ZWNOBZJWSA-N 1 0 272.345 0.740 10 0 CCAERO COC(=O)[C@@H]1C[NH2+]C[C@@H]1C1CN(C(=O)OC(C)(C)C)C1 ZINC000757187653 581685095 /nfs/dbraw/zinc/68/50/95/581685095.db2.gz HRHCMMWPZHMSGQ-GHMZBOCLSA-N 1 0 284.356 0.862 10 0 CCAERO CCN(CCS(C)(=O)=O)C[C@@H](O)COC(C)(C)C ZINC000154246643 615059049 /nfs/dbraw/zinc/05/90/49/615059049.db2.gz RVINCANMNKCXHT-LLVKDONJSA-N 1 0 281.418 0.529 10 0 CCAERO CCCn1c(CO)nn(CN2CC[C@H]([NH+](C)C)C2)c1=S ZINC000120457221 614510779 /nfs/dbraw/zinc/51/07/79/614510779.db2.gz LCVNRTKOELNHAN-NSHDSACASA-N 1 0 299.444 0.910 10 0 CCAERO CC[C@H]1CN(CC(OC)OC)CC[N@@H+]1C[C@@H](C)O ZINC000136761049 615911835 /nfs/dbraw/zinc/91/18/35/615911835.db2.gz CZUOGSLHGIEFFV-NEPJUHHUSA-N 1 0 260.378 0.382 10 0 CCAERO COC(=O)[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])CC1CC1 ZINC000302694955 616282287 /nfs/dbraw/zinc/28/22/87/616282287.db2.gz UJEPLANPPZJSDC-QWRGUYRKSA-N 1 0 254.330 0.668 10 0 CCAERO COC1(OC)CC(NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000911020513 616463609 /nfs/dbraw/zinc/46/36/09/616463609.db2.gz UMPHKICGKPRWSU-VXGBXAGGSA-N 1 0 284.356 0.117 10 0 CCAERO CO[C@@H]1CN(CC[NH2+]C(C)C)C[C@H]1c1cn(C)nn1 ZINC000886071859 616772383 /nfs/dbraw/zinc/77/23/83/616772383.db2.gz DVMXMDWPGMILHC-WCQYABFASA-N 1 0 267.377 0.227 10 0 CCAERO COC(=O)N[C@@H](C(=O)N(C)C1CC[NH+](C)CC1)C(C)C ZINC000108252530 616899372 /nfs/dbraw/zinc/89/93/72/616899372.db2.gz NZKQIQOXEOTYJL-GFCCVEGCSA-N 1 0 285.388 0.920 10 0 CCAERO CC(C)S(=O)(=O)CC[NH2+]C[C@@H](O)C(C)(C)C ZINC000309323287 625360320 /nfs/dbraw/zinc/36/03/20/625360320.db2.gz PZJYKANQLYEKGI-SNVBAGLBSA-N 1 0 251.392 0.806 10 0 CCAERO COC(=O)[C@@H]1CCCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000312107198 625371504 /nfs/dbraw/zinc/37/15/04/625371504.db2.gz KRQAFCYAGVHYSF-CHWSQXEVSA-N 1 0 270.373 0.328 10 0 CCAERO COC(=O)[C@@H]1CCCCN1C[C@H](O)C[NH+]1CCCC1 ZINC000312117098 625372243 /nfs/dbraw/zinc/37/22/43/625372243.db2.gz QYKQKFZCLBTCHH-OLZOCXBDSA-N 1 0 270.373 0.471 10 0 CCAERO C[C@@H]1C[C@H](c2nc([C@@H]3CN4CCN3CC4)no2)CC[NH2+]1 ZINC000235377964 623224092 /nfs/dbraw/zinc/22/40/92/623224092.db2.gz WWMSYIRCICGTFS-UTUOFQBUSA-N 1 0 277.372 0.597 10 0 CCAERO C[C@@H]1C[N@H+](CCCCCCCO)C[C@@H](C(N)=O)O1 ZINC000177267011 623373563 /nfs/dbraw/zinc/37/35/63/623373563.db2.gz HLXCAFYBJIRRSQ-NEPJUHHUSA-N 1 0 258.362 0.504 10 0 CCAERO C[NH+](C)C[C@@H]1CN(CN2C(=O)C(C)(C)C2(C)C)CCO1 ZINC000177689599 623444791 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O=C([O-])[C@@H]1C[C@H](O)C[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000695389461 976795439 /nfs/dbraw/zinc/79/54/39/976795439.db2.gz LBXXUVQJESYEBO-OLZOCXBDSA-N 1 0 270.373 0.630 10 0 CCAERO C[C@@H]1OCC[C@H]1NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000124839373 187157664 /nfs/dbraw/zinc/15/76/64/187157664.db2.gz ARYKKBXSMYKDAE-GXTWGEPZSA-N 1 0 298.431 0.489 10 0 CCAERO C([C@@H]1CCCO1)N1CCO[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC000096090748 185095451 /nfs/dbraw/zinc/09/54/51/185095451.db2.gz WPZYMYRTCHQMNK-JONQDZQNSA-N 1 0 296.411 0.587 10 0 CCAERO CC(C)OCCS(=O)(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000093666771 349549483 /nfs/dbraw/zinc/54/94/83/349549483.db2.gz KRLWSYKBUISDTN-WDEREUQCSA-N 1 0 262.375 0.035 10 0 CCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCS(C)(=O)=O ZINC000094448639 349567881 /nfs/dbraw/zinc/56/78/81/349567881.db2.gz KVZCIIIXZRAKFV-NWDGAFQWSA-N 1 0 260.403 0.590 10 0 CCAERO CCOC(=O)COCC[N@@H+]1CCC[C@@H]1CCCO ZINC000094805400 349575264 /nfs/dbraw/zinc/57/52/64/349575264.db2.gz 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CCC[C@H](C(=O)NC[C@@]1(CCO)CCOC1)[NH+](C)C ZINC000155575830 290697543 /nfs/dbraw/zinc/69/75/43/290697543.db2.gz QMBNOVONIMOGGC-TZMCWYRMSA-N 1 0 272.389 0.622 10 0 CCAERO CNC(=O)c1cccc(CN2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000113932690 349819210 /nfs/dbraw/zinc/81/92/10/349819210.db2.gz LXHMVFHWXNSPTQ-OAHLLOKOSA-N 1 0 291.395 0.809 10 0 CCAERO C[NH+](C)C[C@@H]1CN(C(=O)C2=COCCC2)CCO1 ZINC000116787008 349872385 /nfs/dbraw/zinc/87/23/85/349872385.db2.gz DKNQLPSSFPPYDN-GFCCVEGCSA-N 1 0 254.330 0.470 10 0 CCAERO CC[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)CC[N@@H+]1CCOC ZINC000117301413 349884616 /nfs/dbraw/zinc/88/46/16/349884616.db2.gz RPNGWMGNOINQRP-CYBMUJFWSA-N 1 0 293.367 0.970 10 0 CCAERO C[C@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCS1(=O)=O ZINC000261745107 290739140 /nfs/dbraw/zinc/73/91/40/290739140.db2.gz MDRFBYUIRGOXKV-HBNTYKKESA-N 1 0 274.386 0.007 10 0 CCAERO C[C@H](O)CN1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[C@@H]1C ZINC000261721028 290103955 /nfs/dbraw/zinc/10/39/55/290103955.db2.gz 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O[C@@H]1C[NH2+]C[C@H]1CNCc1ccn(-c2ccccc2)n1 ZINC000263226262 137060855 /nfs/dbraw/zinc/06/08/55/137060855.db2.gz MVSDTDMFGDBJFP-IUODEOHRSA-N 1 0 272.352 0.542 10 0 CCAERO COc1cc2n[nH]nc2cc1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000033940651 348148135 /nfs/dbraw/zinc/14/81/35/348148135.db2.gz CZQPRNIFGAMBOR-SECBINFHSA-N 1 0 289.339 0.791 10 0 CCAERO Cc1ccccc1S(=O)(=O)N1CCC(O)(C[NH3+])CC1 ZINC000032130086 348131354 /nfs/dbraw/zinc/13/13/54/348131354.db2.gz NKQZZAGZTULOAL-UHFFFAOYSA-N 1 0 284.381 0.469 10 0 CCAERO CC(C)(C[NH3+])N1CCN(C(=O)c2ccccn2)CC1 ZINC000104067900 185892171 /nfs/dbraw/zinc/89/21/71/185892171.db2.gz IBCCIQQNJVIQJB-UHFFFAOYSA-N 1 0 262.357 0.577 10 0 CCAERO CC(C)n1ncc2cc(NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)cnc21 ZINC000040833459 348244651 /nfs/dbraw/zinc/24/46/51/348244651.db2.gz DGWWRVKWJSJXGF-VXGBXAGGSA-N 1 0 289.339 0.674 10 0 CCAERO [NH3+]CC1CCN(CN2C(=O)c3ccccc3C2=O)CC1 ZINC000044514004 348321425 /nfs/dbraw/zinc/32/14/25/348321425.db2.gz QAVDTEFSCGYHEG-UHFFFAOYSA-N 1 0 273.336 0.911 10 0 CCAERO C[C@H](NC(=O)C(=O)N1CC[NH2+]CC1)c1ccccc1Cl ZINC000049513681 348455567 /nfs/dbraw/zinc/45/55/67/348455567.db2.gz SWBMRWBXEIZGCQ-JTQLQIEISA-N 1 0 295.770 0.949 10 0 CCAERO C[NH2+][C@H](C)C(=O)Nc1ccc(C)c(-n2cnnn2)c1 ZINC000054072769 348540054 /nfs/dbraw/zinc/54/00/54/348540054.db2.gz WJGBCPJWZWFYFJ-SECBINFHSA-N 1 0 260.301 0.517 10 0 CCAERO CN(Cc1cnn(C)c1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054291344 348547955 /nfs/dbraw/zinc/54/79/55/348547955.db2.gz RKDHRKYLNPDTCO-LLVKDONJSA-N 1 0 250.346 0.768 10 0 CCAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000052395815 348508568 /nfs/dbraw/zinc/50/85/68/348508568.db2.gz APIJTLJXYZNCOX-DTWKUNHWSA-N 1 0 285.369 0.119 10 0 CCAERO COC(=O)[C@H](NC(=O)C[C@@H]1CCC[NH2+]C1)C(C)C ZINC000054308760 348549728 /nfs/dbraw/zinc/54/97/28/348549728.db2.gz KWYLZWCQHYYWBP-CMPLNLGQSA-N 1 0 256.346 0.690 10 0 CCAERO CC[C@@]1(C(=O)N2CCN(c3cnccn3)CC2)CC[NH2+]C1 ZINC000062895974 348671921 /nfs/dbraw/zinc/67/19/21/348671921.db2.gz 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C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CCCOC2)CCO1 ZINC000172134861 350959929 /nfs/dbraw/zinc/95/99/29/350959929.db2.gz ZFTMKFHVNBHIND-NWDGAFQWSA-N 1 0 271.361 0.137 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCNC(=O)C1CC1 ZINC000172238691 350969398 /nfs/dbraw/zinc/96/93/98/350969398.db2.gz HDLHWSHTEWZFLI-DGCLKSJQSA-N 1 0 294.399 0.391 10 0 CCAERO COC[C@@H](C)CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172487965 350987629 /nfs/dbraw/zinc/98/76/29/350987629.db2.gz GCXLXIGWELBYCY-NWDGAFQWSA-N 1 0 255.362 0.759 10 0 CCAERO C[C@H](C(=O)NC[C@H]1CCCO1)N1CCC[N@@H+](C2CC2)CC1 ZINC000172543266 350990563 /nfs/dbraw/zinc/99/05/63/350990563.db2.gz OEEZRZGGBPNSFF-UKRRQHHQSA-N 1 0 295.427 0.840 10 0 CCAERO CCc1nc([C@@H]2CN(C(=O)C[N@H+](C)C(C)C)CCO2)n[nH]1 ZINC000173610291 351047482 /nfs/dbraw/zinc/04/74/82/351047482.db2.gz URHRVFWVKODVNP-NSHDSACASA-N 1 0 295.387 0.607 10 0 CCAERO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CC(=O)N(C)C ZINC000174746931 351101729 /nfs/dbraw/zinc/10/17/29/351101729.db2.gz NCNNNTRSRPVAGF-VXGBXAGGSA-N 1 0 269.389 0.701 10 0 CCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)N1CCOCC1 ZINC000175034246 351115181 /nfs/dbraw/zinc/11/51/81/351115181.db2.gz HGUMFUZQQYXULL-LSDHHAIUSA-N 1 0 295.427 0.794 10 0 CCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NC1CCOCC1 ZINC000175051274 351116217 /nfs/dbraw/zinc/11/62/17/351116217.db2.gz NMBCUPNWUFCHKT-LSDHHAIUSA-N 1 0 295.427 0.840 10 0 CCAERO COC[C@@H](C)[NH2+][C@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174345585 351080805 /nfs/dbraw/zinc/08/08/05/351080805.db2.gz QHIASLVXWLNTNE-NEPJUHHUSA-N 1 0 280.372 0.848 10 0 CCAERO COCCC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000176004147 351152748 /nfs/dbraw/zinc/15/27/48/351152748.db2.gz AWHPTRRASVXTRK-AWEZNQCLSA-N 1 0 283.416 0.651 10 0 CCAERO COCC[N@H+](C)CCNC(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000176040003 351155253 /nfs/dbraw/zinc/15/52/53/351155253.db2.gz KPQOAEFMTOUDCC-CHWSQXEVSA-N 1 0 287.404 0.415 10 0 CCAERO CO[C@@H](C)C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000176442367 351174005 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OXWHUJCOYOZBSQ-QMMMGPOBSA-N 1 0 252.343 0.619 10 0 CCAERO COCC[N@H+](C)CCCNC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000123338756 187085857 /nfs/dbraw/zinc/08/58/57/187085857.db2.gz PSKLXIDZIIPPJE-QWHCGFSZSA-N 1 0 287.404 0.821 10 0 CCAERO CCOC(=O)NCC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195330614 351909580 /nfs/dbraw/zinc/90/95/80/351909580.db2.gz CROHLWXZAIKVCB-JTQLQIEISA-N 1 0 255.318 0.039 10 0 CCAERO CCOC(=O)NCCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195330755 351909813 /nfs/dbraw/zinc/90/98/13/351909813.db2.gz MMLFSWOUHWXYSR-LLVKDONJSA-N 1 0 269.345 0.429 10 0 CCAERO C[N@@H+]1CCC[C@H]2CN(C(=O)C3=NNC(=O)CC3)CC[C@H]21 ZINC000227345837 352044859 /nfs/dbraw/zinc/04/48/59/352044859.db2.gz PUEDTYHOJPIDIX-CMPLNLGQSA-N 1 0 278.356 0.195 10 0 CCAERO CC1(C)NC(=O)N(CC[N@@H+]2CC[C@H](CCO)C2)C1=O ZINC000227572822 352054815 /nfs/dbraw/zinc/05/48/15/352054815.db2.gz NUOKNSQUCYWVJX-SNVBAGLBSA-N 1 0 269.345 0.021 10 0 CCAERO CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@H](CCO)C2)C1 ZINC000228074123 352066542 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ZINC000230099500 352102768 /nfs/dbraw/zinc/10/27/68/352102768.db2.gz FLEQTVHBYNOHRC-SNVBAGLBSA-N 1 0 263.345 0.732 10 0 CCAERO C[C@H]1CN(C(=O)c2ccc(S(C)(=O)=O)cc2)C[C@H]1[NH3+] ZINC000235653158 352186168 /nfs/dbraw/zinc/18/61/68/352186168.db2.gz JYVBESAQJHAGLY-JOYOIKCWSA-N 1 0 282.365 0.509 10 0 CCAERO [NH3+][C@@H](CNC(=O)[C@H]1CC(=O)Nc2ccccc21)C1CC1 ZINC000238009800 352293869 /nfs/dbraw/zinc/29/38/69/352293869.db2.gz NNOZXTNQIIRMSW-RYUDHWBXSA-N 1 0 273.336 0.966 10 0 CCAERO COCC[N@H+](C)CCNC(=O)N[C@H]1CCCC[C@H]1CO ZINC000246182825 352352750 /nfs/dbraw/zinc/35/27/50/352352750.db2.gz KPQOAEFMTOUDCC-STQMWFEESA-N 1 0 287.404 0.415 10 0 CCAERO CCN1CCO[C@H](C(=O)N[C@H](C)c2ccncc2)C1 ZINC000245418235 352321983 /nfs/dbraw/zinc/32/19/83/352321983.db2.gz ANCKWYJVPBPGFC-YPMHNXCESA-N 1 0 263.341 0.980 10 0 CCAERO CCCCOC(=O)CN1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246153282 352350748 /nfs/dbraw/zinc/35/07/48/352350748.db2.gz PKWIDIVDGJJEGX-KGLIPLIRSA-N 1 0 284.400 0.982 10 0 CCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2cccnc2)C1 ZINC000246334026 352361332 /nfs/dbraw/zinc/36/13/32/352361332.db2.gz GLWXPCZCMXIUQC-WCQYABFASA-N 1 0 290.367 0.865 10 0 CCAERO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CN(C)CCO2)CC[N@@H+]1C ZINC000246574244 352373918 /nfs/dbraw/zinc/37/39/18/352373918.db2.gz ZMALIEAJUMBBPG-MCIONIFRSA-N 1 0 298.431 0.441 10 0 CCAERO COCCN1CCN(C(=O)N[C@H](C)[C@@H]2CCCO2)C[C@H]1C ZINC000247118030 352400312 /nfs/dbraw/zinc/40/03/12/352400312.db2.gz NUXNCLRVRMSPNG-MCIONIFRSA-N 1 0 299.415 0.916 10 0 CCAERO CC[C@@H](C)CS(=O)(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000246901852 352387984 /nfs/dbraw/zinc/38/79/84/352387984.db2.gz ALICSZWVXOZVTI-NEPJUHHUSA-N 1 0 278.418 0.625 10 0 CCAERO C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000246993128 352391684 /nfs/dbraw/zinc/39/16/84/352391684.db2.gz LMEGDFDOZFUYMV-HHHGZCDHSA-N 1 0 296.411 0.763 10 0 CCAERO C[C@@H](Sc1nncn1C)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247068997 352396233 /nfs/dbraw/zinc/39/62/33/352396233.db2.gz GJVPFSWYFVGPMX-MNOVXSKESA-N 1 0 295.412 0.602 10 0 CCAERO C[C@H](Sc1nncn1C)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247069020 352396797 /nfs/dbraw/zinc/39/67/97/352396797.db2.gz GJVPFSWYFVGPMX-QWRGUYRKSA-N 1 0 295.412 0.602 10 0 CCAERO CCCNC(=O)NC(=O)CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247070486 352396812 /nfs/dbraw/zinc/39/68/12/352396812.db2.gz HNTCZVUTFALBNM-VXGBXAGGSA-N 1 0 282.388 0.391 10 0 CCAERO CC[C@H]1CN(CC(=O)NCC2CCC2)CC[N@@H+]1C[C@H](C)O ZINC000246283387 352358956 /nfs/dbraw/zinc/35/89/56/352358956.db2.gz SVPMZBNCMITFLB-ZFWWWQNUSA-N 1 0 297.443 0.680 10 0 CCAERO C[NH+](C)C[C@@H]1CN(C[C@@H](O)Cc2ccccc2)CCO1 ZINC000247370922 352411412 /nfs/dbraw/zinc/41/14/12/352411412.db2.gz URXRXADEJPIHMQ-JKSUJKDBSA-N 1 0 278.396 0.852 10 0 CCAERO CCN(CC)C(=O)[C@H](C)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000247374633 352412376 /nfs/dbraw/zinc/41/23/76/352412376.db2.gz VDHJKEHMFKHUDB-STQMWFEESA-N 1 0 271.405 0.506 10 0 CCAERO CCCCNC(=O)CN1CC[N@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000247439849 352415030 /nfs/dbraw/zinc/41/50/30/352415030.db2.gz ZSLHXJPQSFOHOZ-UONOGXRCSA-N 1 0 285.432 0.680 10 0 CCAERO C[C@H]1C[N@H+](C[C@@H](O)CN2CCCC2=O)CCCO1 ZINC000247471367 352415670 /nfs/dbraw/zinc/41/56/70/352415670.db2.gz HBAFHGSKMOKXOF-NWDGAFQWSA-N 1 0 256.346 0.081 10 0 CCAERO O=C1CNC(=O)N1CCC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000248172152 352433617 /nfs/dbraw/zinc/43/36/17/352433617.db2.gz UZFOBLPISCLHQB-IUODEOHRSA-N 1 0 295.383 0.555 10 0 CCAERO CCS(=O)(=O)NCCN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247134705 352401855 /nfs/dbraw/zinc/40/18/55/352401855.db2.gz JNJBBGBPLLRMQY-VXGBXAGGSA-N 1 0 275.418 0.094 10 0 CCAERO COCCCS(=O)(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000247183993 352402681 /nfs/dbraw/zinc/40/26/81/352402681.db2.gz SIIFTMBRFMGGGT-NWDGAFQWSA-N 1 0 278.418 0.671 10 0 CCAERO O[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247221333 352404766 /nfs/dbraw/zinc/40/47/66/352404766.db2.gz WEUSDBZDUKRPMA-SJORKVTESA-N 1 0 290.407 0.997 10 0 CCAERO CCNC(=O)CCN1CC[N@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000247248876 352406201 /nfs/dbraw/zinc/40/62/01/352406201.db2.gz TVLISGAGHMDVGS-QWHCGFSZSA-N 1 0 271.405 0.290 10 0 CCAERO CCOCC[N@@H+]1CCN(Cc2noc(COC)n2)C[C@H]1C ZINC000248521914 352445011 /nfs/dbraw/zinc/44/50/11/352445011.db2.gz BQHILOPKYYLAHA-GFCCVEGCSA-N 1 0 298.387 0.759 10 0 CCAERO CCNS(=O)(=O)[C@@H]1CC[N@H+](C[C@@](C)(O)C(C)C)C1 ZINC000248556046 352445816 /nfs/dbraw/zinc/44/58/16/352445816.db2.gz KQVKHFZZAIXGJM-VXGBXAGGSA-N 1 0 278.418 0.407 10 0 CCAERO COCc1nc(CN2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)no1 ZINC000248586385 352447368 /nfs/dbraw/zinc/44/73/68/352447368.db2.gz RAYQDYOEQQZRBA-QWRGUYRKSA-N 1 0 284.360 0.103 10 0 CCAERO C[C@H]1C[N@H+](CCC2OCCO2)C[C@H]1N1CCOCC1 ZINC000248602077 352447960 /nfs/dbraw/zinc/44/79/60/352447960.db2.gz DBTIBYJTDBKYCX-QWHCGFSZSA-N 1 0 270.373 0.402 10 0 CCAERO CO[C@H](C)[C@H](C)NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000248837108 352462486 /nfs/dbraw/zinc/46/24/86/352462486.db2.gz MRVHXGHHVYBUPK-TUAOUCFPSA-N 1 0 255.362 0.899 10 0 CCAERO CSC[C@H](O)C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000249469473 352492361 /nfs/dbraw/zinc/49/23/61/352492361.db2.gz RPBNMLJXTUUTEC-CMPLNLGQSA-N 1 0 255.387 0.933 10 0 CCAERO O=C(NOC[C@H]1CCOC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000249110849 352478104 /nfs/dbraw/zinc/47/81/04/352478104.db2.gz XWVFXNIQYTUGQY-NWDGAFQWSA-N 1 0 269.345 0.444 10 0 CCAERO COC(=O)[C@H](C)CN(C)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000251060791 352508832 /nfs/dbraw/zinc/50/88/32/352508832.db2.gz CFGOACSKUKZVNB-OUAUKWLOSA-N 1 0 256.346 0.629 10 0 CCAERO COC(=O)c1ccc(N2CCO[C@H]([C@H](C)[NH3+])C2)nc1C ZINC000250945357 352508970 /nfs/dbraw/zinc/50/89/70/352508970.db2.gz GSWZTWPXURMGJN-CABZTGNLSA-N 1 0 279.340 0.729 10 0 CCAERO Cc1cc(CN2C[C@@H](CO)[C@H]([NH+](C)C)C2)n(C)n1 ZINC000257188276 352550996 /nfs/dbraw/zinc/55/09/96/352550996.db2.gz FAEGDXVGWGTLEO-WCQYABFASA-N 1 0 252.362 0.083 10 0 CCAERO C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCN1C(=O)C1CCCC1 ZINC000261638205 352562606 /nfs/dbraw/zinc/56/26/06/352562606.db2.gz DDBHKWDHAZYWSK-AAEUAGOBSA-N 1 0 281.400 0.892 10 0 CCAERO Cc1nc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)c(C)o1 ZINC000293822040 353842812 /nfs/dbraw/zinc/84/28/12/353842812.db2.gz WMTQDFGAKYABQG-LLVKDONJSA-N 1 0 267.329 0.694 10 0 CCAERO CN(CC(=O)NC[C@H]1CCCO1)[C@H]1CCC[NH2+]CC1 ZINC000300280430 354062299 /nfs/dbraw/zinc/06/22/99/354062299.db2.gz TVBBZSBTJZJDFB-QWHCGFSZSA-N 1 0 269.389 0.356 10 0 CCAERO O=C(C[NH2+][C@@H]1CCC(=O)NC12CCC2)N1CCNC(=O)C1 ZINC000328684233 202010843 /nfs/dbraw/zinc/01/08/43/202010843.db2.gz DXLODKWGXFJLLD-SNVBAGLBSA-N 1 0 294.355 0.416 10 0 CCAERO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](OC)C[NH2+]2)C1 ZINC000312065702 354205892 /nfs/dbraw/zinc/20/58/92/354205892.db2.gz CTQZWHMPAVAUME-IJLUTSLNSA-N 1 0 284.356 0.165 10 0 CCAERO CCN1CCC[C@@H](NS(=O)(=O)c2c(C)onc2N)C1 ZINC000329849972 354264464 /nfs/dbraw/zinc/26/44/64/354264464.db2.gz 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NSXZCAAEYZPFPU-RYUDHWBXSA-N 1 0 282.388 0.437 10 0 CCAERO C[C@H](CO[C@H]1CCOC1)NC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333430248 205314244 /nfs/dbraw/zinc/31/42/44/205314244.db2.gz ULXDJHCHYHLCAO-AGIUHOORSA-N 1 0 285.388 0.622 10 0 CCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N[C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000333606579 205495428 /nfs/dbraw/zinc/49/54/28/205495428.db2.gz RGRVRYAGDKMMSE-CABNGKKXSA-N 1 0 292.383 0.754 10 0 CCAERO Cc1nnsc1CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000333631726 205528538 /nfs/dbraw/zinc/52/85/38/205528538.db2.gz VWNBWXXXGOUBBK-RKDXNWHRSA-N 1 0 269.374 0.916 10 0 CCAERO COCC[C@@H]1COCCN1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333745804 205662839 /nfs/dbraw/zinc/66/28/39/205662839.db2.gz YFZZVJMNQORANW-QWHCGFSZSA-N 1 0 285.388 0.575 10 0 CCAERO CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000637850149 374405727 /nfs/dbraw/zinc/40/57/27/374405727.db2.gz IVLBYJVRNSTXOY-TUAOUCFPSA-N 1 0 253.346 0.241 10 0 CCAERO COC[C@@]1(C(=O)N2CCC([C@@H](C)O)CC2)CCCC[NH2+]1 ZINC000637975227 374519990 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ZINC000638826364 375394722 /nfs/dbraw/zinc/39/47/22/375394722.db2.gz NMAPRBPLKNTKFP-WDEREUQCSA-N 1 0 253.346 0.113 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CCN(C2CCC2)C1=O ZINC000638798493 375372365 /nfs/dbraw/zinc/37/23/65/375372365.db2.gz FHIARNDLMSDLAS-UHTWSYAYSA-N 1 0 279.384 0.644 10 0 CCAERO C[C@@H]1CN(C(=O)CNC(=O)c2cccs2)C[C@@H]1C[NH3+] ZINC000638883798 375424487 /nfs/dbraw/zinc/42/44/87/375424487.db2.gz BDFZYOXXYMHYTO-ZJUUUORDSA-N 1 0 281.381 0.531 10 0 CCAERO C[C@@H]1CN(C(=O)CCNC(=O)c2ccco2)C[C@@H]1C[NH3+] ZINC000638884762 375425455 /nfs/dbraw/zinc/42/54/55/375425455.db2.gz FBKGSKURRIMXEU-MNOVXSKESA-N 1 0 279.340 0.453 10 0 CCAERO CC(=O)c1cc(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)n(C)c1 ZINC000638885390 375425826 /nfs/dbraw/zinc/42/58/26/375425826.db2.gz CKUVSABTDONANA-JOYOIKCWSA-N 1 0 263.341 0.895 10 0 CCAERO C[C@@H]1CN(C(=O)CCCNC(=O)C(C)(C)C)C[C@@H]1C[NH3+] ZINC000638888605 375427856 /nfs/dbraw/zinc/42/78/56/375427856.db2.gz NUEGLSBXSKIJIA-NEPJUHHUSA-N 1 0 283.416 0.982 10 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Cn1cccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1=O ZINC000264204894 190096306 /nfs/dbraw/zinc/09/63/06/190096306.db2.gz GKJLIGHZCQSRBC-NSHDSACASA-N 1 0 261.325 0.306 10 0 CCAERO [NH3+]Cc1cn(C[C@H](O)Cc2ccc(F)cc2)nn1 ZINC000641227905 376922833 /nfs/dbraw/zinc/92/28/33/376922833.db2.gz XGEKCARRBGXQQF-GFCCVEGCSA-N 1 0 250.277 0.480 10 0 CCAERO COC[C@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)C1CC1 ZINC000119828675 284666871 /nfs/dbraw/zinc/66/68/71/284666871.db2.gz RIVNQOSPBJWMLP-NEPJUHHUSA-N 1 0 255.362 0.757 10 0 CCAERO O=C(c1nccn2ccnc12)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000266074223 190228643 /nfs/dbraw/zinc/22/86/43/190228643.db2.gz DISTUBHILPJDOS-LLVKDONJSA-N 1 0 271.324 0.650 10 0 CCAERO O=C(NCc1ccccn1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000192804202 284920077 /nfs/dbraw/zinc/92/00/77/284920077.db2.gz GGAWMQRVDIKCQL-CQSZACIVSA-N 1 0 292.383 0.728 10 0 CCAERO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN(C2CC2)CC1 ZINC000334955369 207353356 /nfs/dbraw/zinc/35/33/56/207353356.db2.gz LGADCJGGVVQDIT-FUNVUKJBSA-N 1 0 278.400 0.759 10 0 CCAERO O[C@H](CNCc1cnc2n1CCC2)C[NH+]1CCCCC1 ZINC000657326655 412960898 /nfs/dbraw/zinc/96/08/98/412960898.db2.gz QUKJOGLPIUNOEH-CQSZACIVSA-N 1 0 278.400 0.766 10 0 CCAERO CC(C)C[C@H](C)OC[C@H](O)C[NH2+]CCCC(N)=O ZINC000037894468 184543805 /nfs/dbraw/zinc/54/38/05/184543805.db2.gz CJLVHAHTAKBQPH-NWDGAFQWSA-N 1 0 260.378 0.654 10 0 CCAERO CCc1nnc(CN2CC[N@H+](CCOC)[C@@H](C)C2)n1C ZINC000247148709 285043606 /nfs/dbraw/zinc/04/36/06/285043606.db2.gz LMLYSPDXOLWIAZ-LBPRGKRZSA-N 1 0 281.404 0.530 10 0 CCAERO CCOC(=O)[C@H](CC)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000247351890 285048798 /nfs/dbraw/zinc/04/87/98/285048798.db2.gz GSPGBDKMCHSYTI-XQQFMLRXSA-N 1 0 272.389 0.715 10 0 CCAERO CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247403152 285050033 /nfs/dbraw/zinc/05/00/33/285050033.db2.gz RFGIJLKESWYVLC-KWCYVHTRSA-N 1 0 281.400 0.842 10 0 CCAERO Cc1cc(S(=O)(=O)N2C[C@H]([NH3+])[C@@H](C)C2)c(C)o1 ZINC000335245718 208016380 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OLGFCKYJZYLDHW-HZSPNIEDSA-N 1 0 285.432 0.942 10 0 CCAERO COC(=O)CC[N@H+](C[C@H]1CCCO1)C[C@@H]1CNC(=O)O1 ZINC000133632236 389237404 /nfs/dbraw/zinc/23/74/04/389237404.db2.gz KJLINLQGPQBIDV-MNOVXSKESA-N 1 0 286.328 0.139 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000247385042 389239248 /nfs/dbraw/zinc/23/92/48/389239248.db2.gz PJRGMRYPASERMJ-FRRDWIJNSA-N 1 0 294.399 0.485 10 0 CCAERO CS[C@H](C)CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000133837795 389240067 /nfs/dbraw/zinc/24/00/67/389240067.db2.gz LDBSXMQUWAXIOM-VXGBXAGGSA-N 1 0 289.445 0.884 10 0 CCAERO CC1CC[NH+](CCN2CCC[C@@](O)(C(N)=O)C2)CC1 ZINC000346568719 389331632 /nfs/dbraw/zinc/33/16/32/389331632.db2.gz MBBOLVJPMVJATG-AWEZNQCLSA-N 1 0 269.389 0.031 10 0 CCAERO C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CCCO1 ZINC000261783011 389276175 /nfs/dbraw/zinc/27/61/75/389276175.db2.gz QFAJNZPVTNTOPP-AGIUHOORSA-N 1 0 297.399 0.271 10 0 CCAERO CCCCOC[C@H](O)C[N@@H+]1C[C@@H](OC)C[C@H]1CO ZINC000344681764 389284335 /nfs/dbraw/zinc/28/43/35/389284335.db2.gz SASWYXDFHZLPKQ-XQQFMLRXSA-N 1 0 261.362 0.246 10 0 CCAERO C[C@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)C1CCOCC1 ZINC000152218620 389286067 /nfs/dbraw/zinc/28/60/67/389286067.db2.gz SUYVPBVQSTXHPQ-GXTWGEPZSA-N 1 0 284.400 0.838 10 0 CCAERO CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000153306986 389298057 /nfs/dbraw/zinc/29/80/57/389298057.db2.gz BREWVXXKXLWGPF-HBNTYKKESA-N 1 0 253.346 0.953 10 0 CCAERO CCC[C@H](C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)[NH+](C)C ZINC000162302426 389417359 /nfs/dbraw/zinc/41/73/59/389417359.db2.gz MEXDWEPOHHLENL-LSDHHAIUSA-N 1 0 297.443 0.897 10 0 CCAERO CN(C(=O)Nc1cnc2c(c1)CCCC2)[C@H]1C[NH2+]C[C@@H]1O ZINC000333204518 389406838 /nfs/dbraw/zinc/40/68/38/389406838.db2.gz YRMOWEWTMXICRY-KBPBESRZSA-N 1 0 290.367 0.757 10 0 CCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCN1C(=O)CNC1=O ZINC000162108009 389414744 /nfs/dbraw/zinc/41/47/44/389414744.db2.gz KNKSNEVVPAHJOX-NWDGAFQWSA-N 1 0 280.372 0.097 10 0 CCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCCC(=O)N(C)C)C1 ZINC000158559898 389346323 /nfs/dbraw/zinc/34/63/23/389346323.db2.gz VCFFYIBRISTYNK-OLZOCXBDSA-N 1 0 298.431 0.883 10 0 CCAERO C[C@@H]1CSC[C@H]1[NH2+][C@H]1COC[C@H]1n1ccnn1 ZINC000408452299 389351524 /nfs/dbraw/zinc/35/15/24/389351524.db2.gz MHBUOIJWMWPMFC-LMLFDSFASA-N 1 0 254.359 0.559 10 0 CCAERO CN1CCO[C@H]2CCN(C(=O)NCC3(C)COC3)C[C@H]21 ZINC000332760033 389366102 /nfs/dbraw/zinc/36/61/02/389366102.db2.gz PTMGCAPCAQPGGQ-NEPJUHHUSA-N 1 0 283.372 0.137 10 0 CCAERO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N(C)[C@@H]2CCNC2=O)C1 ZINC000332758425 389366623 /nfs/dbraw/zinc/36/66/23/389366623.db2.gz XIKXIFKFUNECHE-QWHCGFSZSA-N 1 0 296.415 0.637 10 0 CCAERO C[C@@H]1C[C@H]1c1nnc2ccc(N3C[C@H]4C[NH2+]C[C@H]4C3)nn21 ZINC000333607041 389436217 /nfs/dbraw/zinc/43/62/17/389436217.db2.gz XMPKATWZVONADY-WISYIIOYSA-N 1 0 284.367 0.903 10 0 CCAERO CCCS(=O)(=O)CC[N@@H+]1CCCC[C@H](CO)C1 ZINC000374044750 389539561 /nfs/dbraw/zinc/53/95/61/389539561.db2.gz UREKMPJUMCZDFZ-LBPRGKRZSA-N 1 0 263.403 0.906 10 0 CCAERO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C[C@H]1[NH3+] ZINC000423959448 389617580 /nfs/dbraw/zinc/61/75/80/389617580.db2.gz RIGJDXWVJUVGRD-NTZNESFSSA-N 1 0 279.384 0.583 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)Nc1ccc(F)cc1 ZINC000414662928 389625295 /nfs/dbraw/zinc/62/52/95/389625295.db2.gz RQPOILAACNFAEB-KWQFWETISA-N 1 0 253.277 0.528 10 0 CCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C[C@H](O)COCc1cccs1 ZINC000281863094 389630220 /nfs/dbraw/zinc/63/02/20/389630220.db2.gz APNFGFIMSCFSNH-GMXVVIOVSA-N 1 0 298.408 0.882 10 0 CCAERO CN(C)c1nc(CN2CC[N@@H+]3CCC[C@@H]3C2)ns1 ZINC000178974890 389630780 /nfs/dbraw/zinc/63/07/80/389630780.db2.gz JDCVDWIOAFILKV-SNVBAGLBSA-N 1 0 267.402 0.884 10 0 CCAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)C(=O)N(C)C ZINC000179112369 389638219 /nfs/dbraw/zinc/63/82/19/389638219.db2.gz MWKFCZHJCVXGKP-QWHCGFSZSA-N 1 0 298.431 0.883 10 0 CCAERO O=C1NCCCC[C@H]1[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000179202993 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DYXLPNNHCNTILK-NHCYSSNCSA-N 1 0 262.357 0.792 10 0 CCAERO CCOC(=O)CC[C@H](O)C[NH2+][C@H]1CCN(CC)C1 ZINC000389384046 389771403 /nfs/dbraw/zinc/77/14/03/389771403.db2.gz YDNRMVZUTKJDDR-RYUDHWBXSA-N 1 0 258.362 0.374 10 0 CCAERO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000392873176 389774210 /nfs/dbraw/zinc/77/42/10/389774210.db2.gz FKQWXAKBQWIDQL-ZRUFSTJUSA-N 1 0 255.362 0.546 10 0 CCAERO C[C@@H]1CC[C@H](O)C[N@@H+]1CCn1nc2ccccn2c1=O ZINC000399393394 389791428 /nfs/dbraw/zinc/79/14/28/389791428.db2.gz DLPCRSZIOJHKRA-NEPJUHHUSA-N 1 0 276.340 0.341 10 0 CCAERO C[C@H]1C[C@H](O)C[N@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000401913762 389805487 /nfs/dbraw/zinc/80/54/87/389805487.db2.gz RJEBLYYAIWAJIP-UWVGGRQHSA-N 1 0 269.345 0.020 10 0 CCAERO C[C@@H](CN1CCCC1=O)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000408024889 389820423 /nfs/dbraw/zinc/82/04/23/389820423.db2.gz IWEWFDYTVRCVJQ-NWDGAFQWSA-N 1 0 282.388 0.343 10 0 CCAERO CC(C)[C@H](CO)C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000408066296 389824301 /nfs/dbraw/zinc/82/43/01/389824301.db2.gz WXUVIRSSLNAVSY-XQQFMLRXSA-N 1 0 270.373 0.182 10 0 CCAERO CC(C)[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000408098433 389826635 /nfs/dbraw/zinc/82/66/35/389826635.db2.gz QQBQGTVFRWYJOX-STQMWFEESA-N 1 0 281.400 0.831 10 0 CCAERO CC[C@@H]1C[C@H](C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)CC(=O)N1 ZINC000408201508 389834234 /nfs/dbraw/zinc/83/42/34/389834234.db2.gz ITHBPTUIGZHUNW-MROQNXINSA-N 1 0 281.400 0.842 10 0 CCAERO CC(C)[C@](C)(O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000408301142 389841075 /nfs/dbraw/zinc/84/10/75/389841075.db2.gz OTZZNADCLUPVEL-AAEUAGOBSA-N 1 0 258.362 0.182 10 0 CCAERO CCC[C@H](C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[NH+](C)C ZINC000179549573 260054859 /nfs/dbraw/zinc/05/48/59/260054859.db2.gz CGGJDWIRSWSBCC-HUUCEWRRSA-N 1 0 297.443 0.897 10 0 CCAERO O[C@@H]1C[NH2+]C[C@@H]1CNc1ccc(Br)cn1 ZINC000420252705 389973863 /nfs/dbraw/zinc/97/38/63/389973863.db2.gz OKYAPJUQHHDLRP-VXNVDRBHSA-N 1 0 272.146 0.258 10 0 CCAERO CC(C)S(=O)(=O)CCC[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000440950548 390047590 /nfs/dbraw/zinc/04/75/90/390047590.db2.gz BTVDTRAMFPVWHQ-WDEREUQCSA-N 1 0 276.402 0.456 10 0 CCAERO Cc1ccnc(S(=O)(=O)N2CCC[C@H](C[NH3+])C2)n1 ZINC000095069251 184930835 /nfs/dbraw/zinc/93/08/35/184930835.db2.gz UKBFSEBMIGQVIP-SNVBAGLBSA-N 1 0 270.358 0.144 10 0 CCAERO CC(=O)N[C@H](C(=O)N(C)[C@@H]1CCC[NH2+]CC1)C(C)C ZINC000644111010 390135928 /nfs/dbraw/zinc/13/59/28/390135928.db2.gz KJXSKPDAAADMMC-OLZOCXBDSA-N 1 0 269.389 0.748 10 0 CCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)CCNC(=O)C(C)(C)C ZINC000644147328 390146471 /nfs/dbraw/zinc/14/64/71/390146471.db2.gz UVVJQRIUMGLWCT-NXEZZACHSA-N 1 0 255.362 0.487 10 0 CCAERO CO[C@@H]1C[NH2+][C@H](C(=O)NCc2ccn3ccnc3c2)C1 ZINC000583618157 390298051 /nfs/dbraw/zinc/29/80/51/390298051.db2.gz GRZNPUBROXBHAP-RYUDHWBXSA-N 1 0 274.324 0.327 10 0 CCAERO CC[C@@H]1CN(C(=O)[C@]2(COC)CCC[NH2+]2)C[C@@H](C)O1 ZINC000643658942 390493604 /nfs/dbraw/zinc/49/36/04/390493604.db2.gz ZZLITGVVVYONGJ-YRGRVCCFSA-N 1 0 270.373 0.781 10 0 CCAERO C[C@]1(CNC(=O)[C@H]2C[NH2+]CCOC2)CCCS1 ZINC000643724064 390517812 /nfs/dbraw/zinc/51/78/12/390517812.db2.gz RGMMTVREVDFOMW-CMPLNLGQSA-N 1 0 258.387 0.624 10 0 CCAERO Cc1ccccc1OCC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000643608271 390466633 /nfs/dbraw/zinc/46/66/33/390466633.db2.gz SSBPIJODCXSOQA-GXTWGEPZSA-N 1 0 276.336 0.573 10 0 CCAERO CCCCOCCCNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643617231 390472405 /nfs/dbraw/zinc/47/24/05/390472405.db2.gz VQTRKQHUFSVQQK-LBPRGKRZSA-N 1 0 258.362 0.545 10 0 CCAERO Cc1ccccc1CCNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643620660 390474546 /nfs/dbraw/zinc/47/45/46/390474546.db2.gz HQPCZWBIQKKQLQ-CQSZACIVSA-N 1 0 262.353 0.890 10 0 CCAERO O=C(Nc1nc2c(s1)CCC2)[C@H]1C[NH2+]CCOC1 ZINC000643622823 390475791 /nfs/dbraw/zinc/47/57/91/390475791.db2.gz GKYKGJJQMWDTRZ-QMMMGPOBSA-N 1 0 267.354 0.806 10 0 CCAERO CC[NH+]1CCC(CNC(=O)[C@H]2CC(F)(F)CN2)CC1 ZINC000645720850 390479223 /nfs/dbraw/zinc/47/92/23/390479223.db2.gz KQQLQNNXACFLTC-LLVKDONJSA-N 1 0 275.343 0.832 10 0 CCAERO CCC(CC)N(CCOC)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643642352 390485727 /nfs/dbraw/zinc/48/57/27/390485727.db2.gz GPBMKUMRVBOKPW-GFCCVEGCSA-N 1 0 272.389 0.886 10 0 CCAERO COC[C@]1(C(=O)NCc2csc(C)n2)CCC[NH2+]1 ZINC000643778558 390542574 /nfs/dbraw/zinc/54/25/74/390542574.db2.gz LYZZYEODXANAJT-LBPRGKRZSA-N 1 0 269.370 0.836 10 0 CCAERO Cc1cnc([C@@H](C)NC(=O)[C@H]2C[NH2+]CCOC2)o1 ZINC000643779181 390543501 /nfs/dbraw/zinc/54/35/01/390543501.db2.gz SUSWKFGCGBWKJT-ZJUUUORDSA-N 1 0 253.302 0.396 10 0 CCAERO COCCC1(C(=O)NC[C@H](O)C(C)(C)C)CC[NH2+]CC1 ZINC000643778732 390543650 /nfs/dbraw/zinc/54/36/50/390543650.db2.gz ZARCXUDTFKGLJH-LBPRGKRZSA-N 1 0 286.416 0.916 10 0 CCAERO COC[C@]1(C(=O)NC[C@@H]2CCO[C@H](C)C2)CCC[NH2+]1 ZINC000643794848 390553669 /nfs/dbraw/zinc/55/36/69/390553669.db2.gz CKHWMCCNEBMAJW-BZPMIXESSA-N 1 0 270.373 0.686 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)N(C)[C@H](C)CS(C)(=O)=O ZINC000645975152 390555945 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ZINC000647045439 390764764 /nfs/dbraw/zinc/76/47/64/390764764.db2.gz MATVXIXLYSYOKK-BXKDBHETSA-N 1 0 277.324 0.112 10 0 CCAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)NC[C@@]2(O)CCSC2)C1 ZINC000341603397 129907631 /nfs/dbraw/zinc/90/76/31/129907631.db2.gz CQZPRBOQTSUIQP-LOWVWBTDSA-N 1 0 287.429 0.636 10 0 CCAERO COC(=O)NC(C)(C)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000171476863 335066455 /nfs/dbraw/zinc/06/64/55/335066455.db2.gz ODWHIVCNVFHSHX-NSHDSACASA-N 1 0 283.372 0.818 10 0 CCAERO C[C@H](NC(N)=O)C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000374443965 134416296 /nfs/dbraw/zinc/41/62/96/134416296.db2.gz OKQGEZQNJVMNEG-VIFPVBQESA-N 1 0 276.340 0.481 10 0 CCAERO Clc1cccnc1CN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000530220613 285573737 /nfs/dbraw/zinc/57/37/37/285573737.db2.gz BWCIEKCSIMARBE-NWDGAFQWSA-N 1 0 253.733 0.908 10 0 CCAERO C[C@H](c1nnnn1C1CCCCC1)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333880246 299677859 /nfs/dbraw/zinc/67/78/59/299677859.db2.gz UGHOKQBCPMXPKH-WXHSDQCUSA-N 1 0 294.403 0.504 10 0 CCAERO CCC[C@@H]([NH3+])C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000037799555 397385429 /nfs/dbraw/zinc/38/54/29/397385429.db2.gz GUVNKWPWDIAKAO-QWHCGFSZSA-N 1 0 269.389 0.437 10 0 CCAERO [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000037001074 397379799 /nfs/dbraw/zinc/37/97/99/397379799.db2.gz FVHASGBLQJTQQI-IHRRRGAJSA-N 1 0 262.353 0.976 10 0 CCAERO O=C(CCc1ccsc1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262069916 143935292 /nfs/dbraw/zinc/93/52/92/143935292.db2.gz BMZNXRIYVWFGIK-GHMZBOCLSA-N 1 0 254.355 0.377 10 0 CCAERO Cc1cc(F)cc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262074054 143935636 /nfs/dbraw/zinc/93/56/36/143935636.db2.gz BVYDYCJCQODPIN-PWSUYJOCSA-N 1 0 252.289 0.444 10 0 CCAERO Cc1ccc(C(=O)CCC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262085956 143936393 /nfs/dbraw/zinc/93/63/93/143936393.db2.gz CQJFTMHYLDKZHS-HIFRSBDPSA-N 1 0 290.363 0.654 10 0 CCAERO CC1(C)CN(C(=O)c2ccc(C(N)=O)cc2)CC[C@@H]1[NH3+] ZINC000262100959 143937512 /nfs/dbraw/zinc/93/75/12/143937512.db2.gz 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/nfs/dbraw/zinc/22/75/91/144227591.db2.gz OZAAHGAMDGTPBV-KGLIPLIRSA-N 1 0 276.336 0.898 10 0 CCAERO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC000372169637 144355870 /nfs/dbraw/zinc/35/58/70/144355870.db2.gz KISUISVWTCZXJF-NWDGAFQWSA-N 1 0 276.402 0.425 10 0 CCAERO CN(CCOCC[NH3+])c1nnnn1-c1ccccc1 ZINC000388568809 397505991 /nfs/dbraw/zinc/50/59/91/397505991.db2.gz RKYCUUBAFUISKO-UHFFFAOYSA-N 1 0 262.317 0.074 10 0 CCAERO Cc1nncn1CCNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000390947031 397512503 /nfs/dbraw/zinc/51/25/03/397512503.db2.gz OXTZTUGWVVDHPZ-MNOVXSKESA-N 1 0 251.334 0.078 10 0 CCAERO COc1cc(OC)nc(NCCC2CC[NH2+]CC2)n1 ZINC000650311262 397712449 /nfs/dbraw/zinc/71/24/49/397712449.db2.gz UQJJFNNWFUNFRV-UHFFFAOYSA-N 1 0 266.345 0.717 10 0 CCAERO COC1CCC(NC(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000334925590 292156653 /nfs/dbraw/zinc/15/66/53/292156653.db2.gz MLNKPWBBOLYJGB-UNXYVOJBSA-N 1 0 255.362 0.947 10 0 CCAERO CCOCCS(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000172107444 286122341 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COCCN1C[C@H](C(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])CC1=O ZINC000261815263 292545158 /nfs/dbraw/zinc/54/51/58/292545158.db2.gz NPXILKJGIVTOSH-YNEHKIRRSA-N 1 0 297.399 0.067 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCOC ZINC000246753912 287226860 /nfs/dbraw/zinc/22/68/60/287226860.db2.gz PTEFLOPUHAEKLG-NEPJUHHUSA-N 1 0 255.362 0.901 10 0 CCAERO CC(C)[NH2+]C[C@@H](O)COc1cccc2c1OC[C@@H](O)C2 ZINC000005760547 170138007 /nfs/dbraw/zinc/13/80/07/170138007.db2.gz GEKRLAMHPJMGFS-QWHCGFSZSA-N 1 0 281.352 0.720 10 0 CCAERO CCCn1nnnc1CSc1nc(N)cc(N)[nH+]1 ZINC000007692757 170297703 /nfs/dbraw/zinc/29/77/03/170297703.db2.gz XDFMXZIVHSLGLX-UHFFFAOYSA-N 1 0 266.334 0.330 10 0 CCAERO CCC1CCC(NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)CC1 ZINC000049121800 411667916 /nfs/dbraw/zinc/66/79/16/411667916.db2.gz WYVBDUPRAPVSDA-MCIGGMRASA-N 1 0 290.429 0.833 10 0 CCAERO [NH3+]Cc1cn(CC(=O)NCc2ccc(Cl)cc2)nn1 ZINC000050224857 411677628 /nfs/dbraw/zinc/67/76/28/411677628.db2.gz MRRBZJROYZRYPN-UHFFFAOYSA-N 1 0 279.731 0.707 10 0 CCAERO O=C(CC1CC[NH2+]CC1)N1CC[C@@H](N2CCOCC2)C1 ZINC000062976682 411686766 /nfs/dbraw/zinc/68/67/66/411686766.db2.gz PCQZPXMKZYLYII-CQSZACIVSA-N 1 0 281.400 0.309 10 0 CCAERO C[C@@H]([NH3+])[C@H]1CN(c2ncnc3c2CCCC3)CCO1 ZINC000132997429 411728406 /nfs/dbraw/zinc/72/84/06/411728406.db2.gz QLQOXZRMZDJUAU-ZWNOBZJWSA-N 1 0 262.357 0.908 10 0 CCAERO Cc1nccn1CCNC(=O)C1CCC([NH3+])CC1 ZINC000310649031 411747979 /nfs/dbraw/zinc/74/79/79/411747979.db2.gz WUDIGCKVITYQPI-UHFFFAOYSA-N 1 0 250.346 0.825 10 0 CCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000311847190 411751350 /nfs/dbraw/zinc/75/13/50/411751350.db2.gz RYJOKYNCEZNNOE-RAIGVLPGSA-N 1 0 262.357 0.939 10 0 CCAERO COC[C@]1(C(=O)N[C@H](C)c2ncc(C)o2)CC[NH2+]C1 ZINC000311716991 411751474 /nfs/dbraw/zinc/75/14/74/411751474.db2.gz OMAKFFOUTOMVTK-MFKMUULPSA-N 1 0 267.329 0.786 10 0 CCAERO CC(C)(C(=O)N[C@H]1CCC[C@H](O)C1)N1CC[NH2+]CC1 ZINC000131232233 411723328 /nfs/dbraw/zinc/72/33/28/411723328.db2.gz QXOXRFKUXPSLPO-RYUDHWBXSA-N 1 0 269.389 0.090 10 0 CCAERO CCc1cccc(OC[C@H](O)CN2CC[NH2+]CC2)c1 ZINC000019668738 170834544 /nfs/dbraw/zinc/83/45/44/170834544.db2.gz PNLMEZAQWZDAMF-CQSZACIVSA-N 1 0 264.369 0.894 10 0 CCAERO [NH3+]CCCN(Cc1cccnc1)C(=O)[C@@H]1CCCO1 ZINC000019811597 170879313 /nfs/dbraw/zinc/87/93/13/170879313.db2.gz OWFOFNWSCIVLDA-ZDUSSCGKSA-N 1 0 263.341 0.938 10 0 CCAERO O=C(c1cccnc1)N1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000020184191 171047281 /nfs/dbraw/zinc/04/72/81/171047281.db2.gz NOLOEGVXSJBGOO-CYBMUJFWSA-N 1 0 288.351 0.118 10 0 CCAERO CC[NH2+]Cc1ccc(S(=O)(=O)NCCOC)cc1 ZINC000020188469 171053390 /nfs/dbraw/zinc/05/33/90/171053390.db2.gz QTJWBLBRWRZHOK-UHFFFAOYSA-N 1 0 272.370 0.721 10 0 CCAERO CN(C)S(=O)(=O)N(CCC[NH3+])c1ccccc1 ZINC000020232423 171094531 /nfs/dbraw/zinc/09/45/31/171094531.db2.gz WPEISUZBWLEQPX-UHFFFAOYSA-N 1 0 257.359 0.648 10 0 CCAERO CN1CCN(S(=O)(=O)c2ccc(CCC[NH3+])cc2)CC1 ZINC000020269701 171125649 /nfs/dbraw/zinc/12/56/49/171125649.db2.gz KETDETNMPFMKHQ-UHFFFAOYSA-N 1 0 297.424 0.514 10 0 CCAERO CNC(=O)[C@@H](C)[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000020309478 171143240 /nfs/dbraw/zinc/14/32/40/171143240.db2.gz CTXUCKGBJBFLTG-SNVBAGLBSA-N 1 0 264.325 0.724 10 0 CCAERO C[C@@H]([NH2+]CCN1CCOCC1)C(=O)NC(C)(C)C ZINC000020314907 171145583 /nfs/dbraw/zinc/14/55/83/171145583.db2.gz SZASIIPLPCZFDW-LLVKDONJSA-N 1 0 257.378 0.211 10 0 CCAERO C[C@H](NCCC[N@H+](C)Cc1ccccc1)C(=O)NC(N)=O ZINC000020361940 171160352 /nfs/dbraw/zinc/16/03/52/171160352.db2.gz DWZWYNDHTMSCBL-LBPRGKRZSA-N 1 0 292.383 0.682 10 0 CCAERO CCN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CN2CCC1CC2 ZINC000020366084 171164519 /nfs/dbraw/zinc/16/45/19/171164519.db2.gz DTVIHUCPTPXBEA-WCQYABFASA-N 1 0 253.390 0.927 10 0 CCAERO COCCCNC(=O)[C@@H](C)NCC(C)(C)C[NH+](C)C ZINC000020365863 171164576 /nfs/dbraw/zinc/16/45/76/171164576.db2.gz FKPFOWSVUDFDQM-GFCCVEGCSA-N 1 0 273.421 0.705 10 0 CCAERO COCCNC(=O)[C@H](C)Oc1ccc(C[NH3+])cc1 ZINC000020386294 171176007 /nfs/dbraw/zinc/17/60/07/171176007.db2.gz MUNZXILSBJUHNW-JTQLQIEISA-N 1 0 252.314 0.675 10 0 CCAERO COc1cc([C@@H]([NH3+])CC(N)=O)cc(OC)c1OC ZINC000020577957 171256421 /nfs/dbraw/zinc/25/64/21/171256421.db2.gz CUVKRYSCXSTTHR-QMMMGPOBSA-N 1 0 254.286 0.588 10 0 CCAERO NC(=O)COc1ccc2ccccc2c1C[NH2+]CCO ZINC000020872749 171277159 /nfs/dbraw/zinc/27/71/59/171277159.db2.gz GCEQMSITFSHSIX-UHFFFAOYSA-N 1 0 274.320 0.786 10 0 CCAERO CCOCCCNS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000022210422 171373679 /nfs/dbraw/zinc/37/36/79/171373679.db2.gz KMAQXGDPCRGIIR-UHFFFAOYSA-N 1 0 272.370 0.850 10 0 CCAERO CN1C[C@@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CCC1=O ZINC000653090495 412214623 /nfs/dbraw/zinc/21/46/23/412214623.db2.gz QXTURGXLBWHUSW-DJLDLDEBSA-N 1 0 293.289 0.121 10 0 CCAERO CCOCCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653065058 412207607 /nfs/dbraw/zinc/20/76/07/412207607.db2.gz RJLBKRYUZNHBAX-HTQZYQBOSA-N 1 0 254.252 0.537 10 0 CCAERO CC(C)NC(=O)CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653064560 412207696 /nfs/dbraw/zinc/20/76/96/412207696.db2.gz ZYGIJKBXYRUIEH-RKDXNWHRSA-N 1 0 295.305 0.415 10 0 CCAERO COC[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653088548 412212577 /nfs/dbraw/zinc/21/25/77/412212577.db2.gz BDLDPTGJEKXCQI-OPRDCNLKSA-N 1 0 280.290 0.879 10 0 CCAERO O=C(CC1CCSCC1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000653139033 412238231 /nfs/dbraw/zinc/23/82/31/412238231.db2.gz RSVDYMMTKMQONB-WDEREUQCSA-N 1 0 258.387 0.216 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc2[nH]ccc2c1 ZINC000653139306 412238513 /nfs/dbraw/zinc/23/85/13/412238513.db2.gz ZGBZKTVFISUEBU-WCQYABFASA-N 1 0 259.309 0.478 10 0 CCAERO CC(C)OCCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653150700 412243551 /nfs/dbraw/zinc/24/35/51/412243551.db2.gz LYAHFMXYHOVPJZ-RKDXNWHRSA-N 1 0 268.279 0.926 10 0 CCAERO COc1cc(C[NH2+][C@@H](C)C(N)=O)cc(OC)c1OC ZINC000035142544 172009353 /nfs/dbraw/zinc/00/93/53/172009353.db2.gz OIQOUTUCYHWZMC-QMMMGPOBSA-N 1 0 268.313 0.676 10 0 CCAERO CCCNC(=O)C[NH2+][C@H](C)C(=O)NC(C)(C)CC ZINC000035207110 172051879 /nfs/dbraw/zinc/05/18/79/172051879.db2.gz IIIRHASXOIGOQY-SNVBAGLBSA-N 1 0 257.378 0.796 10 0 CCAERO CCN(C1CCCC1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000035766611 172408416 /nfs/dbraw/zinc/40/84/16/172408416.db2.gz CDZZJTDXAKHNNP-UHFFFAOYSA-N 1 0 261.391 0.401 10 0 CCAERO CO[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(Br)c[nH]1 ZINC000036236110 172533014 /nfs/dbraw/zinc/53/30/14/172533014.db2.gz MMPHFQOVRGHKAM-IUCAKERBSA-N 1 0 288.145 0.494 10 0 CCAERO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3cccnc3)C[C@@H]2C1 ZINC000036267286 172561825 /nfs/dbraw/zinc/56/18/25/172561825.db2.gz FTFAFHNEYNSDOP-GRYCIOLGSA-N 1 0 281.381 0.830 10 0 CCAERO [NH3+][C@H]1C[C@@H]1Nc1ccccc1S(=O)(=O)NC1CC1 ZINC000036267570 172562728 /nfs/dbraw/zinc/56/27/28/172562728.db2.gz NWNLPJCQLXGSDP-ONGXEEELSA-N 1 0 267.354 0.639 10 0 CCAERO CS(=O)(=O)N[C@@H]1CCC[N@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000659871467 413926042 /nfs/dbraw/zinc/92/60/42/413926042.db2.gz TWZXEKPRYOMDEB-XQQFMLRXSA-N 1 0 290.429 0.551 10 0 CCAERO C[NH2+]Cc1ccc(OC)c(OC[C@@H](C)C(N)=O)c1 ZINC000037226872 173047314 /nfs/dbraw/zinc/04/73/14/173047314.db2.gz WESHROXSGWSSOQ-SECBINFHSA-N 1 0 252.314 0.915 10 0 CCAERO COc1cc(C[NH2+]CC(N)=O)cc2c1OCCO2 ZINC000037389224 173172433 /nfs/dbraw/zinc/17/24/33/173172433.db2.gz HLNWKOATRKIFSQ-UHFFFAOYSA-N 1 0 252.270 0.041 10 0 CCAERO C[C@@H]([NH3+])CC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000037607830 173556166 /nfs/dbraw/zinc/55/61/66/173556166.db2.gz GTBZNZURKMLKFD-SECBINFHSA-N 1 0 285.369 0.613 10 0 CCAERO CC(C)C[C@@H](NC(=O)[C@](C)([NH3+])C1CC1)C(=O)N(C)C ZINC000037614822 173561350 /nfs/dbraw/zinc/56/13/50/173561350.db2.gz JTZJWPORNHJAKY-BXUZGUMPSA-N 1 0 269.389 0.733 10 0 CCAERO C[C@@H](NC(=O)[C@H]1C[C@H](O)C[NH2+]1)c1ccccc1F ZINC000037764222 173691179 /nfs/dbraw/zinc/69/11/79/173691179.db2.gz XOTFDDZRNIOYKH-VDDIYKPWSA-N 1 0 252.289 0.726 10 0 CCAERO C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)C1([NH3+])CCCCC1 ZINC000037821513 173774186 /nfs/dbraw/zinc/77/41/86/173774186.db2.gz MUJRYRFPTRVYRX-MNOVXSKESA-N 1 0 267.373 0.760 10 0 CCAERO [NH3+]CCN(Cc1ccccc1)S(=O)(=O)c1cn[nH]c1 ZINC000038033078 174029984 /nfs/dbraw/zinc/02/99/84/174029984.db2.gz YSNBNQBWPBBQHA-UHFFFAOYSA-N 1 0 280.353 0.559 10 0 CCAERO CN1CCN(C(=O)CN(CC[NH3+])Cc2ccccc2)CC1 ZINC000038033249 174031008 /nfs/dbraw/zinc/03/10/08/174031008.db2.gz NBABQGWSLRSTDV-UHFFFAOYSA-N 1 0 290.411 0.221 10 0 CCAERO NS(=O)(=O)c1cccc(CNC2CC[NH2+]CC2)c1 ZINC000038041459 174042370 /nfs/dbraw/zinc/04/23/70/174042370.db2.gz TVTMUECEAMJQDQ-UHFFFAOYSA-N 1 0 269.370 0.176 10 0 CCAERO CN(C(=O)[C@H]1CCCN1C1CC[NH2+]CC1)C1CC1 ZINC000038043034 174048269 /nfs/dbraw/zinc/04/82/69/174048269.db2.gz OKXRDYBIBZKRQW-CYBMUJFWSA-N 1 0 251.374 0.824 10 0 CCAERO O=C(NC[C@@H]1CCCOC1)[C@H]1CCCN1C1CC[NH2+]CC1 ZINC000038046130 174054498 /nfs/dbraw/zinc/05/44/98/174054498.db2.gz NCEMPNLMAYWFLU-DZGCQCFKSA-N 1 0 295.427 0.746 10 0 CCAERO [NH3+][C@H]1CCCC[C@H]1NS(=O)(=O)c1cccnc1 ZINC000038049911 174061239 /nfs/dbraw/zinc/06/12/39/174061239.db2.gz PCRJDTLTBLPJQW-WDEREUQCSA-N 1 0 255.343 0.630 10 0 CCAERO [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)CCc1ccncc1 ZINC000038050218 174061606 /nfs/dbraw/zinc/06/16/06/174061606.db2.gz LABJNFCRDWPEAE-CHWSQXEVSA-N 1 0 283.397 0.813 10 0 CCAERO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000038083329 174092736 /nfs/dbraw/zinc/09/27/36/174092736.db2.gz XKGHREMCAPGLPT-VOAKCMCISA-N 1 0 274.430 0.739 10 0 CCAERO O=S1(=O)CC[C@H](C[NH2+]CCc2ccncc2)C1 ZINC000038083955 174093458 /nfs/dbraw/zinc/09/34/58/174093458.db2.gz XKNHLPSWJBPBRE-GFCCVEGCSA-N 1 0 254.355 0.648 10 0 CCAERO C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)C(=O)N1CCCC1 ZINC000038084240 174094172 /nfs/dbraw/zinc/09/41/72/174094172.db2.gz BWHQTRVRNWCVKC-QWRGUYRKSA-N 1 0 274.386 0.022 10 0 CCAERO COc1ccc(C[NH3+])cc1O[C@@H]1CCS(=O)(=O)C1 ZINC000038084426 174094353 /nfs/dbraw/zinc/09/43/53/174094353.db2.gz KQTSCVCRUDIMOP-SNVBAGLBSA-N 1 0 271.338 0.720 10 0 CCAERO COc1cc(C(N)=[NH2+])ccc1OCCS(C)(=O)=O ZINC000038085686 174096643 /nfs/dbraw/zinc/09/66/43/174096643.db2.gz POBRLAKTOGTSHS-UHFFFAOYSA-N 1 0 272.326 0.403 10 0 CCAERO CC(C)NC(=O)[C@@H](C)[NH2+]C1CCC(C(N)=O)CC1 ZINC000038091917 174105643 /nfs/dbraw/zinc/10/56/43/174105643.db2.gz NYPPNYISUVBXTI-KPPDAEKUSA-N 1 0 255.362 0.533 10 0 CCAERO CCN1C(=O)C[C@H](NC2CC[NH+](CC)CC2)C1=O ZINC000038098311 174113759 /nfs/dbraw/zinc/11/37/59/174113759.db2.gz YZXPCNYGSYCOAT-NSHDSACASA-N 1 0 253.346 0.208 10 0 CCAERO Cc1n[nH]cc1S(=O)(=O)N[C@@H](C[NH3+])c1ccccc1 ZINC000040366797 174248537 /nfs/dbraw/zinc/24/85/37/174248537.db2.gz KIPLOWCGNBYPCJ-NSHDSACASA-N 1 0 280.353 0.696 10 0 CCAERO O=C(NCc1cnn(-c2ccccc2)c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000040834446 174416702 /nfs/dbraw/zinc/41/67/02/174416702.db2.gz FKSLJTFUEYKLPK-KBPBESRZSA-N 1 0 286.335 0.211 10 0 CCAERO OCC1(CO)CC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000661944275 414683667 /nfs/dbraw/zinc/68/36/67/414683667.db2.gz TYGYSWGLVSYEKG-OAHLLOKOSA-N 1 0 295.379 0.241 10 0 CCAERO 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OWMMIOWPTWECCM-XQHKEYJVSA-N 1 0 252.358 0.775 10 0 CCAERO C[C@@H](C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)n1cccn1 ZINC000662975652 414930052 /nfs/dbraw/zinc/93/00/52/414930052.db2.gz JQDQVDMSFBDTBT-YUMQZZPRSA-N 1 0 264.251 0.792 10 0 CCAERO Cc1cc(C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)no1 ZINC000662975141 414930091 /nfs/dbraw/zinc/93/00/91/414930091.db2.gz GAPSFOIJSDIIFS-ZETCQYMHSA-N 1 0 251.208 0.945 10 0 CCAERO CCCN(CC(=O)NC)C(=O)C[C@@H]1CCCC[NH2+]1 ZINC000042406593 174712984 /nfs/dbraw/zinc/71/29/84/174712984.db2.gz DZIYKPQVVXJXDS-NSHDSACASA-N 1 0 255.362 0.503 10 0 CCAERO [NH3+]C1CCC(C(=O)N2CC[C@H]3COC[C@@H]3C2)CC1 ZINC000662920056 414892233 /nfs/dbraw/zinc/89/22/33/414892233.db2.gz RLPYBTPWZUWGPQ-ZFQMDJOTSA-N 1 0 252.358 0.999 10 0 CCAERO C[C@@H](NC(=O)c1ccco1)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663005117 414946329 /nfs/dbraw/zinc/94/63/29/414946329.db2.gz VQGQVXVKZXBDSX-NOZJJQNGSA-N 1 0 265.313 0.266 10 0 CCAERO CCCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC000042570887 174800536 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Cc1n[nH]c(C)c1S(=O)(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192869 176074913 /nfs/dbraw/zinc/07/49/13/176074913.db2.gz HTCTWOBOXHFVAJ-LLVKDONJSA-N 1 0 286.401 0.599 10 0 CCAERO COCC[N@H+](CCC(N)=S)[C@H](C)C(=O)NC(C)C ZINC000071225646 176089201 /nfs/dbraw/zinc/08/92/01/176089201.db2.gz JLQKNBLVDFLFSA-SNVBAGLBSA-N 1 0 275.418 0.524 10 0 CCAERO C[C@H](Sc1nnc(C[NH3+])n1C)C(=O)N1CCCCC1 ZINC000071373740 176139150 /nfs/dbraw/zinc/13/91/50/176139150.db2.gz UHJZLEKZUAZLJJ-VIFPVBQESA-N 1 0 283.401 0.767 10 0 CCAERO CCn1c(C[NH3+])nnc1S[C@H]1CCCCNC1=O ZINC000071374583 176139775 /nfs/dbraw/zinc/13/97/75/176139775.db2.gz VMVUOEWUALRMPY-QMMMGPOBSA-N 1 0 269.374 0.518 10 0 CCAERO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2cc(N)cc(F)c2)C1 ZINC000071403136 176154898 /nfs/dbraw/zinc/15/48/98/176154898.db2.gz ZQAVYKCCAZQSHA-NSHDSACASA-N 1 0 287.360 0.733 10 0 CCAERO CC(C)C[C@H](CCC[NH3+])C(=O)N1CCN(C=O)CC1 ZINC000076707790 177066511 /nfs/dbraw/zinc/06/65/11/177066511.db2.gz ISTIUHCVVBPFFN-ZDUSSCGKSA-N 1 0 269.389 0.688 10 0 CCAERO CC(C)C[C@@H](C[NH3+])CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000076749781 177084829 /nfs/dbraw/zinc/08/48/29/177084829.db2.gz HIVJITNFRHIBRP-GHMZBOCLSA-N 1 0 276.402 0.301 10 0 CCAERO C[C@H]([NH3+])c1cccnc1-n1cc(S(C)(=O)=O)cn1 ZINC000725242150 545873954 /nfs/dbraw/zinc/87/39/54/545873954.db2.gz JCUCBQYOYQDNCG-QMMMGPOBSA-N 1 0 266.326 0.691 10 0 CCAERO CS(=O)(=O)c1cnn([C@@H](C[NH3+])c2cccc(F)c2)c1 ZINC000725251568 545875462 /nfs/dbraw/zinc/87/54/62/545875462.db2.gz BSIUTNDXZPCZMZ-LBPRGKRZSA-N 1 0 283.328 0.974 10 0 CCAERO C[C@H]([NH3+])[C@@H](c1ccccn1)n1cc(S(C)(=O)=O)cn1 ZINC000725252559 545877262 /nfs/dbraw/zinc/87/72/62/545877262.db2.gz NHBLNJKQWZUAEX-CABZTGNLSA-N 1 0 280.353 0.618 10 0 CCAERO CS(=O)(=O)c1cnn(C[C@@H]([NH3+])C2CCCC2)c1 ZINC000725252011 545877338 /nfs/dbraw/zinc/87/73/38/545877338.db2.gz JNEPRRPVIKIVEC-LLVKDONJSA-N 1 0 257.359 0.804 10 0 CCAERO CC[NH2+][C@H](Cn1cc(S(C)(=O)=O)cn1)[C@H]1CCOC1 ZINC000725252925 545878144 /nfs/dbraw/zinc/87/81/44/545878144.db2.gz PNNUGQRBDYKGIQ-CMPLNLGQSA-N 1 0 287.385 0.301 10 0 CCAERO CCC[C@@H](C)C(=O)N1CC(N2C[C@H]([NH3+])CC2=O)C1 ZINC000725272926 545889084 /nfs/dbraw/zinc/88/90/84/545889084.db2.gz UJZVFQPPESPNEX-NXEZZACHSA-N 1 0 253.346 0.193 10 0 CCAERO CN(C)c1ncc(C[NH2+][C@@H]2CCC[C@@H](O)C2)n1C ZINC000070143546 544448738 /nfs/dbraw/zinc/44/87/38/544448738.db2.gz UBIYIDWBKNEPEI-ZYHUDNBSSA-N 1 0 252.362 0.879 10 0 CCAERO C[C@H](C[C@@](C)([NH3+])C(N)=O)n1cc(Br)cn1 ZINC000082800542 544487432 /nfs/dbraw/zinc/48/74/32/544487432.db2.gz BDUCMSAAJAYTCB-HZGVNTEJSA-N 1 0 275.150 0.799 10 0 CCAERO C[C@@H](Cn1cncn1)NC(=O)NCCC1CC[NH+](C)CC1 ZINC000103312803 544557966 /nfs/dbraw/zinc/55/79/66/544557966.db2.gz OBBHENRMAPFJOF-LBPRGKRZSA-N 1 0 294.403 0.698 10 0 CCAERO CC[C@H](CO)NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000131886291 544619514 /nfs/dbraw/zinc/61/95/14/544619514.db2.gz FWJRFJYRLPLKNR-TUAOUCFPSA-N 1 0 257.378 0.785 10 0 CCAERO CCN(CC)C(=O)N1CCN(C(=O)C[C@H]([NH3+])C(C)C)CC1 ZINC000136400028 544638871 /nfs/dbraw/zinc/63/88/71/544638871.db2.gz MNHOJQYCGOKAEE-ZDUSSCGKSA-N 1 0 298.431 0.966 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000136467296 544639525 /nfs/dbraw/zinc/63/95/25/544639525.db2.gz AXFKCDCSAOTNOL-ZJUUUORDSA-N 1 0 262.375 0.053 10 0 CCAERO CNC(=O)[C@@H]1CCCCN1C(=O)C[C@@H]([NH3+])C(C)C ZINC000136390387 544639563 /nfs/dbraw/zinc/63/95/63/544639563.db2.gz OYCBVVHLQNCQOG-MNOVXSKESA-N 1 0 255.362 0.487 10 0 CCAERO C[C@@H]([NH2+]CC(=O)N(C)Cc1cnn(C)c1)[C@@H]1CCCO1 ZINC000183136448 544765656 /nfs/dbraw/zinc/76/56/56/544765656.db2.gz GDOPHWJSPBJSJI-YPMHNXCESA-N 1 0 280.372 0.536 10 0 CCAERO C[C@H](NC(=O)NCC[N@@H+]1CCCOCC1)[C@H]1CCCO1 ZINC000186947628 544779583 /nfs/dbraw/zinc/77/95/83/544779583.db2.gz VBGVMUVXGWWCHU-QWHCGFSZSA-N 1 0 285.388 0.575 10 0 CCAERO O=C(NC[C@H]1CC[NH2+]C1)c1cccc2nccnc21 ZINC000228296669 544841185 /nfs/dbraw/zinc/84/11/85/544841185.db2.gz HGUXLTALAFZTRJ-JTQLQIEISA-N 1 0 256.309 0.969 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCS(=O)(=O)C[C@H]1C ZINC000228742033 544844892 /nfs/dbraw/zinc/84/48/92/544844892.db2.gz PIIHWBPQTRRPTG-ZJUUUORDSA-N 1 0 262.375 0.005 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000251711784 544927528 /nfs/dbraw/zinc/92/75/28/544927528.db2.gz IEFYTBQVKJTAHX-GMTAPVOTSA-N 1 0 255.362 0.472 10 0 CCAERO CC[C@H](C)NC(=O)CCNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000251855870 544928232 /nfs/dbraw/zinc/92/82/32/544928232.db2.gz NRQTUZCCYUAZAR-SRVKXCTJSA-N 1 0 269.389 0.782 10 0 CCAERO CC(C)Oc1cncc(N2CCO[C@H]([C@H](C)[NH3+])C2)n1 ZINC000252688255 544930232 /nfs/dbraw/zinc/93/02/32/544930232.db2.gz NSKLNXAUDQCGMN-QWRGUYRKSA-N 1 0 266.345 0.816 10 0 CCAERO CC(C)Oc1cncc(N2CCO[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000252688256 544930370 /nfs/dbraw/zinc/93/03/70/544930370.db2.gz NSKLNXAUDQCGMN-WDEREUQCSA-N 1 0 266.345 0.816 10 0 CCAERO COCCN1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C[C@@H]1C ZINC000261731133 544936648 /nfs/dbraw/zinc/93/66/48/544936648.db2.gz KWXALUDLJDVHFI-MELADBBJSA-N 1 0 283.416 0.683 10 0 CCAERO CC(C)(C)c1nc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cs1 ZINC000262059483 544937831 /nfs/dbraw/zinc/93/78/31/544937831.db2.gz ATEUFLDIFJFTMY-SCZZXKLOSA-N 1 0 283.397 0.751 10 0 CCAERO Cc1nc(CC(C)C)sc1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262148485 544941630 /nfs/dbraw/zinc/94/16/30/544941630.db2.gz HPKQPKUBVSNHDN-QWRGUYRKSA-N 1 0 297.424 0.960 10 0 CCAERO Cc1ccc(OCC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c(C)c1 ZINC000262137260 544941831 /nfs/dbraw/zinc/94/18/31/544941831.db2.gz GXLQTDYCEXXMSI-OLZOCXBDSA-N 1 0 278.352 0.379 10 0 CCAERO O=C(CCc1ccccc1Cl)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262140335 544942208 /nfs/dbraw/zinc/94/22/08/544942208.db2.gz HBZSZNQRBWEQGZ-YPMHNXCESA-N 1 0 282.771 0.969 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1CCSc2ccccc21 ZINC000262300458 544942829 /nfs/dbraw/zinc/94/28/29/544942829.db2.gz PODKPZVWYZYACB-DRZSPHRISA-N 1 0 292.404 0.963 10 0 CCAERO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC(=O)N2)C1 ZINC000333741400 545042513 /nfs/dbraw/zinc/04/25/13/545042513.db2.gz LMRSCUKGRLWBSX-NEPJUHHUSA-N 1 0 267.373 0.596 10 0 CCAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000333794250 545043113 /nfs/dbraw/zinc/04/31/13/545043113.db2.gz GQTBZCYZBDMKLX-ZWNOBZJWSA-N 1 0 294.399 0.437 10 0 CCAERO C[C@@H]1C[NH2+]CCN1C(=O)NCc1cccc2c1OCO2 ZINC000333820018 545043557 /nfs/dbraw/zinc/04/35/57/545043557.db2.gz QXZASFQPPSJOKT-SNVBAGLBSA-N 1 0 277.324 0.919 10 0 CCAERO CN(C[C@@H]1CCC[C@H]1O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333843779 545043812 /nfs/dbraw/zinc/04/38/12/545043812.db2.gz OSVXFSBEFRAZCH-RWMBFGLXSA-N 1 0 269.389 0.931 10 0 CCAERO C[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CCOCC1 ZINC000333941444 545044823 /nfs/dbraw/zinc/04/48/23/545044823.db2.gz OZKUUSCYZWNSII-MJBXVCDLSA-N 1 0 296.415 0.243 10 0 CCAERO COc1cc(C)nc(N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000328895648 545019775 /nfs/dbraw/zinc/01/97/75/545019775.db2.gz BMQXRZDNQBSAEY-RYUDHWBXSA-N 1 0 278.356 0.703 10 0 CCAERO 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0.458 10 0 CCAERO CCCn1cc(S(=O)(=O)N2CCC([NH3+])CC2)nc1C ZINC000050265154 521654951 /nfs/dbraw/zinc/65/49/51/521654951.db2.gz UDTOFUFUSKFESO-UHFFFAOYSA-N 1 0 286.401 0.713 10 0 CCAERO C[NH+](C)CCN1CC[NH+]([C@@H]2CCC[C@H]2C(=O)[O-])CC1 ZINC000062756804 521768537 /nfs/dbraw/zinc/76/85/37/521768537.db2.gz BESYUDDUOMHEKL-CHWSQXEVSA-N 1 0 269.389 0.419 10 0 CCAERO C[NH2+][C@H]1COc2cc(OC[C@@H](C)C(N)=O)ccc21 ZINC000062804452 522508034 /nfs/dbraw/zinc/50/80/34/522508034.db2.gz FOWJEYKJLSARJO-KCJUWKMLSA-N 1 0 250.298 0.840 10 0 CCAERO CN(CC[NH2+]C1CC1)c1nnnn1-c1ccccc1 ZINC000053707070 522863312 /nfs/dbraw/zinc/86/33/12/522863312.db2.gz NWQRYKBDHRQZHP-UHFFFAOYSA-N 1 0 258.329 0.851 10 0 CCAERO COC(=O)CCCS(=O)(=O)N[C@H]1CCCCC[C@H]1[NH3+] ZINC000063214035 523037899 /nfs/dbraw/zinc/03/78/99/523037899.db2.gz SVOGFVQGLIXOTH-MNOVXSKESA-N 1 0 292.401 0.519 10 0 CCAERO COCCC[N@H+](C)CCNC(=O)[C@@H]1CC[C@H](C)O1 ZINC000156573438 523221149 /nfs/dbraw/zinc/22/11/49/523221149.db2.gz 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/nfs/dbraw/zinc/28/48/96/525284896.db2.gz IYOHKYFHUAESPY-VIFPVBQESA-N 1 0 258.347 0.222 10 0 CCAERO Cc1ccc(S(N)(=O)=O)cc1NC(=O)[C@H]1CC[NH2+]C1 ZINC000062113974 525641134 /nfs/dbraw/zinc/64/11/34/525641134.db2.gz JWCHDEKRMPRKHP-VIFPVBQESA-N 1 0 283.353 0.190 10 0 CCAERO C[C@@H]1[C@@H]([NH3+])CCC[C@@H]1C(=O)N1CCC(C(N)=O)CC1 ZINC000055091429 525663848 /nfs/dbraw/zinc/66/38/48/525663848.db2.gz AWABZMMIOUGXKU-DLOVCJGASA-N 1 0 267.373 0.474 10 0 CCAERO C[C@@]([NH3+])(CCCSc1nnc2ccccn21)C(N)=O ZINC000061408411 525748144 /nfs/dbraw/zinc/74/81/44/525748144.db2.gz TWZFOGSNJMTLRA-GFCCVEGCSA-N 1 0 279.369 0.804 10 0 CCAERO C[C@H](OC[C@@H]1CC[NH2+]C1)C(=O)NCc1ccco1 ZINC000051888164 525911224 /nfs/dbraw/zinc/91/12/24/525911224.db2.gz NORUACBCSOZGIV-WDEREUQCSA-N 1 0 252.314 0.910 10 0 CCAERO C[C@H]1CCCN(C(=O)CN2CCC[NH2+]CC2)[C@H]1C ZINC000061274618 526264569 /nfs/dbraw/zinc/26/45/69/526264569.db2.gz SUCRUWBESDBBNK-STQMWFEESA-N 1 0 253.390 0.929 10 0 CCAERO Cc1nn(CCS(C)(=O)=O)c(C)c1C[C@@H](C)[NH3+] 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O=C(C[NH2+][C@@H]1CCN2CCC[C@H]12)NCC(F)(F)F ZINC000049567437 526889665 /nfs/dbraw/zinc/88/96/65/526889665.db2.gz SCZYMBUHRPGLSA-RKDXNWHRSA-N 1 0 265.279 0.491 10 0 CCAERO O=C(C[NH2+][C@H]1CCN2CCC[C@H]12)NC1CCCC1 ZINC000049568375 526891936 /nfs/dbraw/zinc/89/19/36/526891936.db2.gz ZCELLMIYTYJPNG-QWHCGFSZSA-N 1 0 251.374 0.872 10 0 CCAERO Cc1nc(N2CCN(CC[NH+](C)C)CC2)sc1C=O ZINC000061655560 526968638 /nfs/dbraw/zinc/96/86/38/526968638.db2.gz HJARVJAHHRFLLB-UHFFFAOYSA-N 1 0 282.413 0.948 10 0 CCAERO [NH3+]Cc1ccc(S(=O)(=O)NC[C@H]2CCOC2)s1 ZINC000061147674 527257380 /nfs/dbraw/zinc/25/73/80/527257380.db2.gz XOSKTAWXTGOSKD-MRVPVSSYSA-N 1 0 276.383 0.522 10 0 CCAERO O=S1(=O)CC[C@@H](C[NH2+]CCCN2CCCC2)C1 ZINC000049332584 527307490 /nfs/dbraw/zinc/30/74/90/527307490.db2.gz GRWOYPIAEFQDOH-LBPRGKRZSA-N 1 0 260.403 0.497 10 0 CCAERO O=C(NCC1CC[NH+](CCO)CC1)c1ccc[nH]c1=O ZINC000154191685 527609752 /nfs/dbraw/zinc/60/97/52/527609752.db2.gz KHNKEAYDDNSZKJ-UHFFFAOYSA-N 1 0 279.340 0.221 10 0 CCAERO CN1C[C@H](C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1=O ZINC000668616125 545183892 /nfs/dbraw/zinc/18/38/92/545183892.db2.gz GRVFMOGGVUHQPF-SRVKXCTJSA-N 1 0 288.413 0.410 10 0 CCAERO Cn1cc(C=O)c(CN2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000675052936 545320430 /nfs/dbraw/zinc/32/04/30/545320430.db2.gz CLBCBCRKMNUGKH-GFCCVEGCSA-N 1 0 250.346 0.759 10 0 CCAERO CC1(C(=O)NC[C@]23C[NH2+]C[C@@H]2S(=O)(=O)CCC3)CC1 ZINC000675072715 545321077 /nfs/dbraw/zinc/32/10/77/545321077.db2.gz GMXMYBYFJFSKFN-GWCFXTLKSA-N 1 0 286.397 0.070 10 0 CCAERO CC[NH+](CC)[C@@H](C)CNC(=O)C1=NN(C)C(=O)CC1 ZINC000041915672 535640793 /nfs/dbraw/zinc/64/07/93/535640793.db2.gz VZNVDRQFXXITJR-JTQLQIEISA-N 1 0 268.361 0.441 10 0 CCAERO CC[C@H](C)NC(=O)CN1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000171572356 536156953 /nfs/dbraw/zinc/15/69/53/536156953.db2.gz WJYRGLGOUKOWSG-KBPBESRZSA-N 1 0 285.432 0.944 10 0 CCAERO C[NH2+][C@@H](C)Cc1noc(-c2sccc2-n2cnnn2)n1 ZINC000261777135 536347926 /nfs/dbraw/zinc/34/79/26/536347926.db2.gz NPUHAEYUMUXWDA-ZETCQYMHSA-N 1 0 291.340 0.924 10 0 CCAERO C[NH2+][C@H](C)CNS(=O)(=O)c1ccc(Br)o1 ZINC000261548911 536403320 /nfs/dbraw/zinc/40/33/20/536403320.db2.gz OBJYRKONTINXLS-ZCFIWIBFSA-N 1 0 297.174 0.928 10 0 CCAERO CN(C[C@H]1CCC[C@H]1O)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000517148498 536448770 /nfs/dbraw/zinc/44/87/70/536448770.db2.gz HCYBILSMWWKYLT-CHWSQXEVSA-N 1 0 283.416 0.290 10 0 CCAERO COc1ccc(Cl)cc1CC(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262376859 536550727 /nfs/dbraw/zinc/55/07/27/536550727.db2.gz WQZJCHUHZPNGTD-CMPLNLGQSA-N 1 0 298.770 0.588 10 0 CCAERO COC[C@@H]([NH3+])C(=O)N1CCC(c2cn[nH]c2)CC1 ZINC000262369816 536655720 /nfs/dbraw/zinc/65/57/20/536655720.db2.gz WPXMEYPOQBRTHU-LLVKDONJSA-N 1 0 252.318 0.089 10 0 CCAERO COc1cc(CNC[C@H]2C[NH2+]C[C@H]2O)cc(OC)c1OC ZINC000263160033 536801618 /nfs/dbraw/zinc/80/16/18/536801618.db2.gz DUEIAKJNBJCLJQ-NWDGAFQWSA-N 1 0 296.367 0.382 10 0 CCAERO COC[C@H]([NH3+])C(=O)NC[C@@H](O)c1ccc(Cl)s1 ZINC000262376496 536864330 /nfs/dbraw/zinc/86/43/30/536864330.db2.gz XHMFLKIZRSTLCN-NKWVEPMBSA-N 1 0 278.761 0.525 10 0 CCAERO COc1ccccc1N1CC[C@@H](CNC(=O)C2C[NH2+]C2)C1 ZINC000263315627 537073262 /nfs/dbraw/zinc/07/32/62/537073262.db2.gz QDGHWEMVCHYQML-LBPRGKRZSA-N 1 0 289.379 0.857 10 0 CCAERO CN1CCO[C@@H](C[N@H+](C)C[C@H](O)CC(F)(F)F)C1 ZINC000682525743 545482331 /nfs/dbraw/zinc/48/23/31/545482331.db2.gz MQTJOXYBAHUEMQ-NXEZZACHSA-N 1 0 270.295 0.562 10 0 CCAERO COc1ccc([C@@H]2[C@@H](O)[C@H](O)[C@@H](C)[N@@H+]2C)cc1OC ZINC000004027777 560193284 /nfs/dbraw/zinc/19/32/84/560193284.db2.gz WCNPJVPXLWJQIR-HKSFMPNISA-N 1 0 267.325 0.801 10 0 biogenic,in-vitro CCAERO [NH3+][C@H](CS(=O)(=O)N1CCCCCC1)[C@H]1CCCOC1 ZINC000757151663 581681785 /nfs/dbraw/zinc/68/17/85/581681785.db2.gz NDCXJKCYDSBXBE-QWHCGFSZSA-N 1 0 290.429 0.946 10 0 CCAERO [NH3+][C@@H](CS(=O)(=O)N1CCCCC1)[C@@H]1CCCOC1 ZINC000757149799 581697017 /nfs/dbraw/zinc/69/70/17/581697017.db2.gz GNQIWPHXRACBPB-NEPJUHHUSA-N 1 0 276.402 0.556 10 0 CCAERO CC[C@H](C)[C@H]([NH3+])CS(=O)(=O)N1CCOCC1 ZINC000757150839 581697180 /nfs/dbraw/zinc/69/71/80/581697180.db2.gz FYHCNTDDYSJQKV-VHSXEESVSA-N 1 0 250.364 0.022 10 0 CCAERO [NH3+][C@H](CS(=O)(=O)N1CCCCC1)[C@H]1CCCOC1 ZINC000757149800 581697193 /nfs/dbraw/zinc/69/71/93/581697193.db2.gz GNQIWPHXRACBPB-NWDGAFQWSA-N 1 0 276.402 0.556 10 0 CCAERO COc1ccc(Cc2noc([C@H]3C[C@@H](O)C[NH2+]3)n2)cn1 ZINC000131826982 617263208 /nfs/dbraw/zinc/26/32/08/617263208.db2.gz NZXZNVCSNCUOFS-NXEZZACHSA-N 1 0 276.296 0.459 10 0 CCAERO CCn1nnc(C)c1C[NH2+][C@H]1CCO[C@@H]1c1cc[nH]n1 ZINC000888077247 615744604 /nfs/dbraw/zinc/74/46/04/615744604.db2.gz WDVWLWQLPNZJER-GWCFXTLKSA-N 1 0 276.344 0.949 10 0 CCAERO CC[C@H]1CN(CCC2OCCO2)CC[N@@H+]1C[C@@H](C)O ZINC000124173906 615914122 /nfs/dbraw/zinc/91/41/22/615914122.db2.gz QYMZZICLNLWSEX-OLZOCXBDSA-N 1 0 272.389 0.526 10 0 CCAERO CC[C@H]1CN(Cn2ncn(C)c2=S)CC[N@@H+]1CCOC ZINC000117323952 615916971 /nfs/dbraw/zinc/91/69/71/615916971.db2.gz CKAOPVRPXBDIAM-LBPRGKRZSA-N 1 0 299.444 0.951 10 0 CCAERO C[NH+](C)[C@@H]1CN(c2ncccc2F)C[C@@H]1n1ccnn1 ZINC000858757719 615982939 /nfs/dbraw/zinc/98/29/39/615982939.db2.gz XDYXPUFVLRDEFV-NEPJUHHUSA-N 1 0 276.319 0.804 10 0 CCAERO COCCN1CCN(C(=O)C2=COCCO2)C[C@@H]1C ZINC000117295534 616358564 /nfs/dbraw/zinc/35/85/64/616358564.db2.gz QZHGSYLYWLBMLY-NSHDSACASA-N 1 0 270.329 0.054 10 0 CCAERO COCCN1CCN(C(=O)C2=COCCC2)C[C@@H]1C ZINC000117284101 616359021 /nfs/dbraw/zinc/35/90/21/616359021.db2.gz KRMOEEOXICUBRE-LBPRGKRZSA-N 1 0 268.357 0.860 10 0 CCAERO COCC[NH2+]CCNc1nc(OC)ncc1Cl ZINC000215514425 616511198 /nfs/dbraw/zinc/51/11/98/616511198.db2.gz FOWIWQGTEHMBLP-UHFFFAOYSA-N 1 0 260.725 0.787 10 0 CCAERO CO[C@@H]1C[C@@H](CO)N(Cc2ccc(Cl)nn2)C1 ZINC000310177047 631084028 /nfs/dbraw/zinc/08/40/28/631084028.db2.gz VKSFIWJTEYQQLZ-VHSXEESVSA-N 1 0 257.721 0.712 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)Cn1nc2ccccn2c1=O ZINC000177160250 623360360 /nfs/dbraw/zinc/36/03/60/623360360.db2.gz HHRLQOLKHACQKA-CYBMUJFWSA-N 1 0 289.383 0.870 10 0 CCAERO CC(C)(C[NH3+])c1nc([C@@H]2CN3CCC[C@H]3CO2)no1 ZINC000252698041 624469354 /nfs/dbraw/zinc/46/93/54/624469354.db2.gz KTERJDJULAPOQA-UWVGGRQHSA-N 1 0 266.345 0.842 10 0 CCAERO CC(=O)N[C@@H]1CCCN(CN2CCOC2=S)C1 ZINC000048621629 624717504 /nfs/dbraw/zinc/71/75/04/624717504.db2.gz CFGNQLSXFKKICY-SNVBAGLBSA-N 1 0 257.359 0.162 10 0 CCAERO C[C@H]1CN(CC(=O)Nc2cccnc2Cl)C[C@@H]1[NH3+] ZINC000235656709 631420100 /nfs/dbraw/zinc/42/01/00/631420100.db2.gz GAUDRMYCRHIJCJ-IUCAKERBSA-N 1 0 268.748 0.953 10 0 CCAERO [NH3+][C@@H](C(=O)NC[C@@H]1CSCCS1)C1CCOCC1 ZINC000262082395 631889097 /nfs/dbraw/zinc/88/90/97/631889097.db2.gz TYGYKRDOLWRTFU-GHMZBOCLSA-N 1 0 290.454 0.705 10 0 CCAERO COC(=O)N[C@H](CC(C)C)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000179071565 632479767 /nfs/dbraw/zinc/47/97/67/632479767.db2.gz RXZGNQMAJSSRLT-WDEREUQCSA-N 1 0 271.361 0.577 10 0 CCAERO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCOCC2)C1 ZINC000067529522 632491833 /nfs/dbraw/zinc/49/18/33/632491833.db2.gz USIKOHNMTRRLTL-LBPRGKRZSA-N 1 0 255.362 0.759 10 0 CCAERO C[C@H](CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)C(C)(C)C ZINC000148590704 633107045 /nfs/dbraw/zinc/10/70/45/633107045.db2.gz FNFWHDQMKBPWMP-NXEZZACHSA-N 1 0 278.418 0.547 10 0 CCAERO C[C@@H]1C[C@@H](CNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)C[C@H](C)O1 ZINC000907975101 635254490 /nfs/dbraw/zinc/25/44/90/635254490.db2.gz UBLBFKSMANQWSV-OKWIKPQFSA-N 1 0 284.400 0.761 10 0 CCAERO C[C@@](Cn1cc(Br)cn1)([NH2+]C1CC1)C(N)=O ZINC000045437480 636898846 /nfs/dbraw/zinc/89/88/46/636898846.db2.gz RGNOQIWNQNJQRU-JTQLQIEISA-N 1 0 287.161 0.642 10 0 CCAERO COC(=O)N[C@@H](C(=O)N1CCC[C@H]([NH3+])C1)C(C)C ZINC000157766050 636967734 /nfs/dbraw/zinc/96/77/34/636967734.db2.gz HSNRVFMRKHGTAW-VHSXEESVSA-N 1 0 257.334 0.317 10 0 CCAERO [NH3+]C[C@@H](C(=O)NC[C@@H](O)C(F)(F)F)c1ccccc1 ZINC000226320592 636976956 /nfs/dbraw/zinc/97/69/56/636976956.db2.gz GYTDEXHAIYGEQH-NXEZZACHSA-N 1 0 276.258 0.768 10 0 CCAERO COC[C@@H]([NH3+])C(=O)N1CCCc2cc(OC)ccc21 ZINC000167927533 636984806 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O=C(O[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CNC(=O)C1 ZINC000117100925 644752269 /nfs/dbraw/zinc/75/22/69/644752269.db2.gz QVFPANHLORTJRB-KGLIPLIRSA-N 1 0 288.347 0.940 10 0 CCAERO O=C(CNC(=O)[C@H]1CCC[NH2+]C1)OC1CCCCC1 ZINC000119245473 645058880 /nfs/dbraw/zinc/05/88/80/645058880.db2.gz CTROHWDYUOZJPT-NSHDSACASA-N 1 0 268.357 0.978 10 0 CCAERO Cc1c(C[N@@H+]2CCC[C@@](O)(c3cn[nH]n3)C2)cnn1C ZINC000886066061 647896468 /nfs/dbraw/zinc/89/64/68/647896468.db2.gz UFQLWUQCUYSCQB-ZDUSSCGKSA-N 1 0 276.344 0.330 10 0 CCAERO Cc1noc(C[C@@]2(O)CCC[N@H+](CCc3cn[nH]c3)C2)n1 ZINC000886079372 647897697 /nfs/dbraw/zinc/89/76/97/647897697.db2.gz JLGJUMQLGWWQHS-AWEZNQCLSA-N 1 0 291.355 0.713 10 0 CCAERO CCC[C@@H](C(=O)NCC1(C)OCCCO1)[NH+](C)C ZINC000191102335 649467463 /nfs/dbraw/zinc/46/74/63/649467463.db2.gz RVVRMQABNPYRQF-NSHDSACASA-N 1 0 258.362 0.986 10 0 CCAERO COC[C@]1(C)CC(=O)N(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)C1 ZINC000245422168 649642114 /nfs/dbraw/zinc/64/21/14/649642114.db2.gz PDPRHWCTJOCWJH-OFQRWUPVSA-N 1 0 295.427 0.997 10 0 CCAERO NC(=O)C1CCN(C(=O)[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000089386301 649653698 /nfs/dbraw/zinc/65/36/98/649653698.db2.gz ZFKBYBIIWNKPGT-VXGBXAGGSA-N 1 0 267.373 0.475 10 0 CCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)C2=COCCC2)C[C@H]1C ZINC000246630649 649682622 /nfs/dbraw/zinc/68/26/22/649682622.db2.gz DWWNYIONMLRUBC-NEPJUHHUSA-N 1 0 268.357 0.594 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C[C@@H]1COC(=O)C1 ZINC000246917335 649694652 /nfs/dbraw/zinc/69/46/52/649694652.db2.gz GDIOQDPLYFZLRV-NWDGAFQWSA-N 1 0 268.357 0.882 10 0 CCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@@H]2CCCOC2)C[C@@H]1C ZINC000249084633 649740633 /nfs/dbraw/zinc/74/06/33/649740633.db2.gz IIPUPDCPSNOMQU-IHRRRGAJSA-N 1 0 284.400 0.717 10 0 CCAERO [NH3+][C@@H]1CCCC[C@@H]1c1nc([C@@H]2CN3CCN2CC3)no1 ZINC000094506339 649743884 /nfs/dbraw/zinc/74/38/84/649743884.db2.gz KACWFVZFCGHVFW-TUAOUCFPSA-N 1 0 277.372 0.727 10 0 CCAERO C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@@H]1C(=O)[O-] ZINC000693435146 968931846 /nfs/dbraw/zinc/93/18/46/968931846.db2.gz NPZHPIBPQDJHMU-AGIUHOORSA-N 1 0 270.373 0.486 10 0 CCAERO C[C@@H]1CC[N@H+](C[C@H](O)CN(C)C2CC2)C[C@H]1C(=O)[O-] ZINC000710523539 969048026 /nfs/dbraw/zinc/04/80/26/969048026.db2.gz WBSCSVXWOMVTJL-RAIGVLPGSA-N 1 0 270.373 0.484 10 0 CCAERO CO[C@@]1(C(=O)[O-])CC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000692470532 976497930 /nfs/dbraw/zinc/49/79/30/976497930.db2.gz AIZGQGVZNNZHAB-YPMHNXCESA-N 1 0 256.346 0.646 10 0 CCAERO CNC(=O)[C@H]([NH2+]C1CCC(NC(C)=O)CC1)C(C)C ZINC000185866852 290604610 /nfs/dbraw/zinc/60/46/10/290604610.db2.gz JMQPMOPSWWBQRZ-WXRRBKDZSA-N 1 0 269.389 0.794 10 0 CCAERO C[C@@H](C[NH3+])NS(=O)(=O)c1ccc(F)c(F)c1F ZINC000104225072 230393550 /nfs/dbraw/zinc/39/35/50/230393550.db2.gz FHBDSSHITICALL-YFKPBYRVSA-N 1 0 268.260 0.729 10 0 CCAERO CCC[C@H](C(=O)N(C)CCNC(=O)C(C)C)[NH+](C)C ZINC000092264475 349487089 /nfs/dbraw/zinc/48/70/89/349487089.db2.gz RRHCGLQSBHSJAG-GFCCVEGCSA-N 1 0 271.405 0.947 10 0 CCAERO COCCO[C@@H]1C[C@H]2CN(Cc3cnn(C)c3)CC[N@@H+]2C1 ZINC000096063746 185084845 /nfs/dbraw/zinc/08/48/45/185084845.db2.gz GHOVDAOHUJUXFL-LSDHHAIUSA-N 1 0 294.399 0.342 10 0 CCAERO C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CCCOCC2)CCO1 ZINC000181740477 282124237 /nfs/dbraw/zinc/12/42/37/282124237.db2.gz LEXXWVPTLYZXHI-QWHCGFSZSA-N 1 0 285.388 0.528 10 0 CCAERO O=C(NC[C@@H]1CCC2(CC[NH2+]CC2)CO1)c1cnccn1 ZINC000096088620 185094143 /nfs/dbraw/zinc/09/41/43/185094143.db2.gz WQXBAGBEVCJEKF-LBPRGKRZSA-N 1 0 290.367 0.755 10 0 CCAERO C[NH+](C)C[C@@H]1CN(CC(=O)Nc2nccs2)CCO1 ZINC000155380951 282127340 /nfs/dbraw/zinc/12/73/40/282127340.db2.gz RQLGLGQPJCFJMS-SNVBAGLBSA-N 1 0 284.385 0.344 10 0 CCAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCC(CC(N)=O)CC1 ZINC000094647728 349570987 /nfs/dbraw/zinc/57/09/87/349570987.db2.gz LICCTZVDTIPIMG-ZYHUDNBSSA-N 1 0 267.373 0.489 10 0 CCAERO COC(CNC(=O)[C@H]([NH3+])c1ccc(C)cc1)OC ZINC000083392514 178399700 /nfs/dbraw/zinc/39/97/00/178399700.db2.gz OPBLEMMFRIJTBV-GFCCVEGCSA-N 1 0 252.314 0.730 10 0 CCAERO C[C@@H](c1cnccn1)S(=O)(=O)NC[C@H]1CCCC[NH2+]1 ZINC000095068154 349585527 /nfs/dbraw/zinc/58/55/27/349585527.db2.gz RUNNIJVVTNLNLZ-WDEREUQCSA-N 1 0 284.385 0.599 10 0 CCAERO Cc1cc(C)nc(S(=O)(=O)NC2CC[NH2+]CC2)n1 ZINC000095068862 349585681 /nfs/dbraw/zinc/58/56/81/349585681.db2.gz HGUOYLWSENOBDT-UHFFFAOYSA-N 1 0 270.358 0.124 10 0 CCAERO Cc1ccc(S(=O)(=O)N2CCC(C[NH3+])CC2)nc1 ZINC000095069021 349586415 /nfs/dbraw/zinc/58/64/15/349586415.db2.gz RGUAUZOJBFAODO-UHFFFAOYSA-N 1 0 269.370 0.749 10 0 CCAERO O=S(=O)(c1ncc(Cl)cn1)[C@H]1CCC[NH2+]C1 ZINC000095069995 349587036 /nfs/dbraw/zinc/58/70/36/349587036.db2.gz LGAAIRKLQIGDCE-QMMMGPOBSA-N 1 0 261.734 0.656 10 0 CCAERO [NH3+]C[C@@H]1CCCCN1S(=O)(=O)Cc1ccncc1 ZINC000095072484 349588321 /nfs/dbraw/zinc/58/83/21/349588321.db2.gz VQHFQJUNEPGHTN-LBPRGKRZSA-N 1 0 269.370 0.725 10 0 CCAERO O=S(=O)(Cc1ccncc1)NC1CC[NH2+]CC1 ZINC000095073124 349588345 /nfs/dbraw/zinc/58/83/45/349588345.db2.gz BPULMFUMCVUWCM-UHFFFAOYSA-N 1 0 255.343 0.253 10 0 CCAERO C[NH+](C)C[C@H]1CN(CC(=O)Nc2nccs2)CCO1 ZINC000155381034 282140521 /nfs/dbraw/zinc/14/05/21/282140521.db2.gz RQLGLGQPJCFJMS-JTQLQIEISA-N 1 0 284.385 0.344 10 0 CCAERO CC(C)(C)OC(=O)N1CC[C@]2(C1)C[NH2+]CC[C@@H]2O ZINC000096957352 185140983 /nfs/dbraw/zinc/14/09/83/185140983.db2.gz OYBVANIEFYZEFB-GXFFZTMASA-N 1 0 256.346 0.968 10 0 CCAERO CN(C)S(=O)(=O)CC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000311393610 282157404 /nfs/dbraw/zinc/15/74/04/282157404.db2.gz BHHNKWWVHZKGKO-CHWSQXEVSA-N 1 0 290.429 0.505 10 0 CCAERO C[NH+](C)C[C@@H]1CN(C(=O)C(=O)Nc2ccsc2)CCO1 ZINC000125846033 187202218 /nfs/dbraw/zinc/20/22/18/187202218.db2.gz GZMJUEGOKWUAOT-LLVKDONJSA-N 1 0 297.380 0.476 10 0 CCAERO O=c1cc(C[NH2+][C@@H]2CCCOC2)nc2ccccn12 ZINC000103954924 349704638 /nfs/dbraw/zinc/70/46/38/349704638.db2.gz LDFJUAQADCKSAK-LLVKDONJSA-N 1 0 259.309 0.963 10 0 CCAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)C1 ZINC000246006502 282199183 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ZINC000113267998 349806730 /nfs/dbraw/zinc/80/67/30/349806730.db2.gz OTKNWFUYYYPSII-CMPLNLGQSA-N 1 0 262.361 0.677 10 0 CCAERO CCC[C@H](C(=O)N1CCN(CC(C)(C)O)CC1)[NH+](C)C ZINC000155648356 290698093 /nfs/dbraw/zinc/69/80/93/290698093.db2.gz HIVMZZLEHJMOPQ-CYBMUJFWSA-N 1 0 285.432 0.632 10 0 CCAERO CN1CC[C@@H]([NH+]2CCC(c3ccnn3CCO)CC2)C1=O ZINC000116275303 349866070 /nfs/dbraw/zinc/86/60/70/349866070.db2.gz ZERPQJTZNKLBSG-CQSZACIVSA-N 1 0 292.383 0.286 10 0 CCAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc3nncn3c2)CCO1 ZINC000116791268 349872815 /nfs/dbraw/zinc/87/28/15/349872815.db2.gz NFGCXGNVCCBCOK-GFCCVEGCSA-N 1 0 289.339 0.132 10 0 CCAERO CCCC(=O)NCC(=O)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000117304689 349884691 /nfs/dbraw/zinc/88/46/91/349884691.db2.gz CSELRURQWOJJCD-CYBMUJFWSA-N 1 0 299.415 0.472 10 0 CCAERO CC[NH+]1CCN(Cc2c(C)nn(C)c2OC)CC1 ZINC000157427302 290710649 /nfs/dbraw/zinc/71/06/49/290710649.db2.gz UAXUZRHYVMNQOJ-UHFFFAOYSA-N 1 0 252.362 0.875 10 0 CCAERO CCS(=O)(=O)CCN1CCC([NH+]2CCCC2)CC1 ZINC000118397693 349902301 /nfs/dbraw/zinc/90/23/01/349902301.db2.gz VNECFRSVXAEWRG-UHFFFAOYSA-N 1 0 274.430 0.981 10 0 CCAERO CCCNC(=O)[C@H](C)N1CC[NH+](C[C@H](O)CC)CC1 ZINC000118856877 349909102 /nfs/dbraw/zinc/90/91/02/349909102.db2.gz FGBIJKWSPADHCY-QWHCGFSZSA-N 1 0 271.405 0.290 10 0 CCAERO Cc1nnc2ccc(N3CC[C@]4(CC[N@@H+](C)C4)C3)nn12 ZINC000292307461 282350072 /nfs/dbraw/zinc/35/00/72/282350072.db2.gz NZLHCTDLUJLYHA-AWEZNQCLSA-N 1 0 272.356 0.965 10 0 CCAERO CC(C)[N@H+](C)CC(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000135285210 535000473 /nfs/dbraw/zinc/00/04/73/535000473.db2.gz RGNNHQBHHBRGEP-ZDUSSCGKSA-N 1 0 291.399 0.902 10 0 CCAERO CCCCCNC(=O)[C@H](C)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404123910 290766254 /nfs/dbraw/zinc/76/62/54/290766254.db2.gz MKAUEKLZAXWXMB-MJBXVCDLSA-N 1 0 283.416 0.744 10 0 CCAERO C[C@@H](C(=O)N1CCO[C@H](C)[C@H]1C(N)=O)[NH+]1CCCCCC1 ZINC000408065681 295741427 /nfs/dbraw/zinc/74/14/27/295741427.db2.gz PQOAIICBBCEIHP-XQQFMLRXSA-N 1 0 297.399 0.352 10 0 CCAERO CCc1nn(C)cc1CNC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000127619490 187319845 /nfs/dbraw/zinc/31/98/45/187319845.db2.gz IESQAZIADDJDQZ-ZWNOBZJWSA-N 1 0 264.373 0.987 10 0 CCAERO O=C1CNC(=O)N1CC[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000128362689 187366512 /nfs/dbraw/zinc/36/65/12/187366512.db2.gz VYSJIKHCHLCLPZ-VXGBXAGGSA-N 1 0 291.355 0.508 10 0 CCAERO CC(C)n1cncc1C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000091667252 136804386 /nfs/dbraw/zinc/80/43/86/136804386.db2.gz LHYQTIQUVIWONX-CYBMUJFWSA-N 1 0 252.362 0.884 10 0 CCAERO C[C@H](CNC(=O)CC(=O)N(C)C)C[NH+]1CCCC1 ZINC000174067193 136868475 /nfs/dbraw/zinc/86/84/75/136868475.db2.gz XIDNJHPQEPMFJH-LLVKDONJSA-N 1 0 255.362 0.313 10 0 CCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H]2CSCCS2)C1 ZINC000187824455 136916531 /nfs/dbraw/zinc/91/65/31/136916531.db2.gz XHHCKTDDNQVXIK-LPEHRKFASA-N 1 0 276.427 0.328 10 0 CCAERO CCN1C(=O)C[C@H]([NH2+]C[C@H]2Cc3ccccc3O2)C1=O ZINC000103338980 185830057 /nfs/dbraw/zinc/83/00/57/185830057.db2.gz KCAYDQRYUQZSQR-NEPJUHHUSA-N 1 0 274.320 0.727 10 0 CCAERO CCN(C)C(=O)CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000251436398 137001882 /nfs/dbraw/zinc/00/18/82/137001882.db2.gz CGUUDZYTMCMGFB-NEPJUHHUSA-N 1 0 282.388 0.343 10 0 CCAERO COc1ccc(OC)c(CCNC(=O)C2C[NH2+]C2)c1 ZINC000258761944 137005723 /nfs/dbraw/zinc/00/57/23/137005723.db2.gz RCCJSDNCUADLAM-UHFFFAOYSA-N 1 0 264.325 0.582 10 0 CCAERO CC1(C)CN(CC(=O)NCC(F)(F)F)CC[C@@H]1[NH3+] ZINC000261582530 137010194 /nfs/dbraw/zinc/01/01/94/137010194.db2.gz RHJOFCRGTHHOFG-QMMMGPOBSA-N 1 0 267.295 0.724 10 0 CCAERO Fc1cncc(CN2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000261592294 137011486 /nfs/dbraw/zinc/01/14/86/137011486.db2.gz MHPYGXQLZCGYKT-AWEZNQCLSA-N 1 0 264.348 0.700 10 0 CCAERO CC1(C)CN(CCn2nc3ccccn3c2=O)CC[C@@H]1[NH3+] ZINC000261639682 137013695 /nfs/dbraw/zinc/01/36/95/137013695.db2.gz IMUQAENGYJUBAM-LBPRGKRZSA-N 1 0 289.383 0.555 10 0 CCAERO COCCC(=O)N1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261646584 137014098 /nfs/dbraw/zinc/01/40/98/137014098.db2.gz DQCWKTFIHAWGMM-CYBMUJFWSA-N 1 0 269.389 0.167 10 0 CCAERO COc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c(C)c1 ZINC000262356656 137039661 /nfs/dbraw/zinc/03/96/61/137039661.db2.gz UVYDTVRGKCXTQK-MFKMUULPSA-N 1 0 264.325 0.314 10 0 CCAERO COc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c(C)c1 ZINC000262356654 137039945 /nfs/dbraw/zinc/03/99/45/137039945.db2.gz UVYDTVRGKCXTQK-GXFFZTMASA-N 1 0 264.325 0.314 10 0 CCAERO O=C(COC1CCCCC1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262378432 137041027 /nfs/dbraw/zinc/04/10/27/137041027.db2.gz WUGLEVHZNLNDLU-PWSUYJOCSA-N 1 0 256.346 0.032 10 0 CCAERO CCc1cc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)sc1C ZINC000262384958 137041458 /nfs/dbraw/zinc/04/14/58/137041458.db2.gz XHELMXAAPJLCKL-MNOVXSKESA-N 1 0 268.382 0.929 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cc(-c2cccs2)n[nH]1 ZINC000262383700 137041715 /nfs/dbraw/zinc/04/17/15/137041715.db2.gz XFVGDUKUHWOYSV-LDYMZIIASA-N 1 0 292.364 0.448 10 0 CCAERO O=C(Nc1ccc(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cn1)C1CC1 ZINC000262480755 137044516 /nfs/dbraw/zinc/04/45/16/137044516.db2.gz XYEVEFOVGKCVLL-GHMZBOCLSA-N 1 0 290.323 0.091 10 0 CCAERO C[C@H]1CN([C@@H](CNC(N)=[NH2+])c2cccs2)CCO1 ZINC000262499733 137045374 /nfs/dbraw/zinc/04/53/74/137045374.db2.gz XUVGNILMYGHIHG-UWVGGRQHSA-N 1 0 268.386 0.993 10 0 CCAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1cccc2c1OCO2 ZINC000263168148 137059534 /nfs/dbraw/zinc/05/95/34/137059534.db2.gz FJSLIPDWICZEQK-QWRGUYRKSA-N 1 0 250.298 0.085 10 0 CCAERO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000262610640 137048036 /nfs/dbraw/zinc/04/80/36/137048036.db2.gz DCLMFHVOIFOXHN-CABCVRRESA-N 1 0 292.379 0.865 10 0 CCAERO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCC1CCOCC1 ZINC000261696852 137015763 /nfs/dbraw/zinc/01/57/63/137015763.db2.gz ICXRCTPPFCFUPQ-ZDUSSCGKSA-N 1 0 285.388 0.019 10 0 CCAERO C[C@H]([NH3+])CC(=O)N[C@@H]1CCN(C(=O)c2ccccn2)C1 ZINC000261805180 137021075 /nfs/dbraw/zinc/02/10/75/137021075.db2.gz FYKFYDAUYLMYMW-WDEREUQCSA-N 1 0 276.340 0.150 10 0 CCAERO COc1ccc(SCC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000261897524 137024527 /nfs/dbraw/zinc/02/45/27/137024527.db2.gz ACFCSBMXHVYIRU-GXFFZTMASA-N 1 0 296.392 0.484 10 0 CCAERO CN1CC[NH2+]C[C@H]1c1noc(-c2ncncc2Cl)n1 ZINC000263153316 137059209 /nfs/dbraw/zinc/05/92/09/137059209.db2.gz DFHFHQNRYQZOJM-QMMMGPOBSA-N 1 0 280.719 0.756 10 0 CCAERO CNC(=O)c1ccc(C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cn1 ZINC000261905092 137025116 /nfs/dbraw/zinc/02/51/16/137025116.db2.gz SDJQCEXEVSXSDA-GFCCVEGCSA-N 1 0 290.367 0.641 10 0 CCAERO COc1cccc(CNC[C@H]2C[NH2+]C[C@H]2O)c1OC ZINC000262163342 137028651 /nfs/dbraw/zinc/02/86/51/137028651.db2.gz TUDCPPLRYVEVHM-NWDGAFQWSA-N 1 0 266.341 0.374 10 0 CCAERO O[C@H]1C[NH2+]C[C@H]1CNCc1ccc(OC(F)F)cc1 ZINC000262198079 137030535 /nfs/dbraw/zinc/03/05/35/137030535.db2.gz ZTGZYWWAAAJARQ-PWSUYJOCSA-N 1 0 272.295 0.958 10 0 CCAERO COCCC1(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)CCCC1 ZINC000262200638 137030578 /nfs/dbraw/zinc/03/05/78/137030578.db2.gz IDFCCIXZQWHGEK-NWDGAFQWSA-N 1 0 270.373 0.280 10 0 CCAERO O=C(Cc1cccc(Cl)c1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262209286 137031286 /nfs/dbraw/zinc/03/12/86/137031286.db2.gz ITFFCPPXFPMASC-CMPLNLGQSA-N 1 0 268.744 0.579 10 0 CCAERO CC(C)Oc1ccc([C@@H](O)CNC(=O)C2C[NH2+]C2)cc1 ZINC000262226173 137032023 /nfs/dbraw/zinc/03/20/23/137032023.db2.gz LJJKGLSWECJXQM-AWEZNQCLSA-N 1 0 278.352 0.843 10 0 CCAERO COCC[C@@]1(C(=O)N(C)[C@@H]2CCOC2)CC[NH2+]C1 ZINC000262224017 137032065 /nfs/dbraw/zinc/03/20/65/137032065.db2.gz PMFKMBFYHULPJL-YPMHNXCESA-N 1 0 256.346 0.250 10 0 CCAERO Cc1cccc(O[C@H](C)C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262230419 137032087 /nfs/dbraw/zinc/03/20/87/137032087.db2.gz KESZLSPZPUQKFR-BZPMIXESSA-N 1 0 278.352 0.459 10 0 CCAERO COc1cc(OC)c(CCNC(=O)C2C[NH2+]C2)c(OC)c1 ZINC000262237699 137032472 /nfs/dbraw/zinc/03/24/72/137032472.db2.gz NITNXTSGTOEZFL-UHFFFAOYSA-N 1 0 294.351 0.591 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1coc2ccccc12 ZINC000262235536 137032615 /nfs/dbraw/zinc/03/26/15/137032615.db2.gz KNPKRSHKZOVSKZ-CABZTGNLSA-N 1 0 260.293 0.743 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(F)cc1F ZINC000262246766 137032720 /nfs/dbraw/zinc/03/27/20/137032720.db2.gz LHVSUPIKKGYZKU-CPCISQLKSA-N 1 0 256.252 0.275 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cc2ccccc2o1 ZINC000262255552 137033292 /nfs/dbraw/zinc/03/32/92/137033292.db2.gz LVSKPYDCBBGGHM-WDEREUQCSA-N 1 0 260.293 0.743 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cccc(Cl)c1 ZINC000262253889 137033347 /nfs/dbraw/zinc/03/33/47/137033347.db2.gz LTKXMGDPHRSSFU-GXSJLCMTSA-N 1 0 254.717 0.650 10 0 CCAERO COc1ccccc1[C@@H](O)CNC(=O)C1C[NH2+]C1 ZINC000262280940 137034905 /nfs/dbraw/zinc/03/49/05/137034905.db2.gz VSWOMGNJFQLETF-NSHDSACASA-N 1 0 250.298 0.064 10 0 CCAERO CCCc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262323945 137038601 /nfs/dbraw/zinc/03/86/01/137038601.db2.gz RQIRMIOYSFNCLW-KBPBESRZSA-N 1 0 262.353 0.949 10 0 CCAERO C[C@@H]1CCc2nc(CNC[C@@H]3C[NH2+]C[C@@H]3O)sc2C1 ZINC000263270599 137062170 /nfs/dbraw/zinc/06/21/70/137062170.db2.gz SBXMWLUHAFHLSW-SCVCMEIPSA-N 1 0 281.425 0.938 10 0 CCAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1cncc(Br)c1 ZINC000263285411 137063055 /nfs/dbraw/zinc/06/30/55/137063055.db2.gz UYGDPFSNHPMVEO-ONGXEEELSA-N 1 0 286.173 0.514 10 0 CCAERO O[C@@H]1C[NH2+]C[C@H]1CNCc1cnc(-c2ccccn2)s1 ZINC000263305541 137063389 /nfs/dbraw/zinc/06/33/89/137063389.db2.gz XUJRPJWBIZKQTG-ZWNOBZJWSA-N 1 0 290.392 0.875 10 0 CCAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1cnc(-c2ccccn2)s1 ZINC000263305538 137063391 /nfs/dbraw/zinc/06/33/91/137063391.db2.gz XUJRPJWBIZKQTG-GWCFXTLKSA-N 1 0 290.392 0.875 10 0 CCAERO O=C(NCc1ccnc(N2CCCC2)c1)C1C[NH2+]C1 ZINC000263325658 137064212 /nfs/dbraw/zinc/06/42/12/137064212.db2.gz SRHGUAFGZWRRAG-UHFFFAOYSA-N 1 0 260.341 0.517 10 0 CCAERO O=C(NCc1cccc(N2CCCC2=O)c1)C1C[NH2+]C1 ZINC000263347237 137064497 /nfs/dbraw/zinc/06/44/97/137064497.db2.gz ZNXQIEZOQIBJOZ-UHFFFAOYSA-N 1 0 273.336 0.649 10 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/nfs/dbraw/zinc/08/14/32/137081432.db2.gz ZJSFJSKCUYFPGQ-UVLXDEKHSA-N 1 0 297.399 0.403 10 0 CCAERO Cc1noc(C)c1Cc1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263213525 137060509 /nfs/dbraw/zinc/06/05/09/137060509.db2.gz KMYBGGKNTWTSFY-LLVKDONJSA-N 1 0 277.328 0.841 10 0 CCAERO NC(=[NH2+])N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000000045187 347937556 /nfs/dbraw/zinc/93/75/56/347937556.db2.gz BLASDEBNKKSDHY-UHFFFAOYSA-N 1 0 266.732 0.991 10 0 CCAERO C[NH+](C)CCOC(=O)CCNc1cccccc1=O ZINC000002018743 347964129 /nfs/dbraw/zinc/96/41/29/347964129.db2.gz ZCALLRJEILXULN-UHFFFAOYSA-N 1 0 264.325 0.954 10 0 CCAERO CC(C)[C@](C)(O)C(=O)OCC1=CC[N@@H+]2CC[C@@H](O)[C@H]12 ZINC000014724034 348036429 /nfs/dbraw/zinc/03/64/29/348036429.db2.gz TZHAMNIFJHFPNN-DYEKYZERSA-N 1 0 269.341 0.312 10 0 CCAERO CC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccc(N)c2)C1 ZINC000344546515 137200291 /nfs/dbraw/zinc/20/02/91/137200291.db2.gz TXZDIWIXNFBSIX-LLVKDONJSA-N 1 0 269.370 0.641 10 0 CCAERO [NH3+]C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000034348960 348149960 /nfs/dbraw/zinc/14/99/60/348149960.db2.gz ASBYJKDHSKXTPZ-LLVKDONJSA-N 1 0 254.240 0.403 10 0 CCAERO COc1cccc(CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)c1 ZINC000037680491 348198538 /nfs/dbraw/zinc/19/85/38/348198538.db2.gz JPPKSUZOOLFPGK-JQWIXIFHSA-N 1 0 250.298 0.034 10 0 CCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCN(C(=O)N(C)C)CC1 ZINC000037819393 348211110 /nfs/dbraw/zinc/21/11/10/348211110.db2.gz BWTGCXDNOFYNLY-GHMZBOCLSA-N 1 0 270.377 0.186 10 0 CCAERO C[C@@H](NC(=O)C(C)(C)[NH3+])c1ccc(S(N)(=O)=O)cc1 ZINC000040921483 348245245 /nfs/dbraw/zinc/24/52/45/348245245.db2.gz AEOYHCLVAIHVMJ-MRVPVSSYSA-N 1 0 285.369 0.249 10 0 CCAERO CC(C)N(C)S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000042520574 348283447 /nfs/dbraw/zinc/28/34/47/348283447.db2.gz YWTUAPLWFSFEIW-ZACCUICWSA-N 1 0 261.391 0.444 10 0 CCAERO C[C@@H]1CC[C@H](C(=O)N2CCNC(=O)C2(C)C)C[NH2+]1 ZINC000104126785 185900001 /nfs/dbraw/zinc/90/00/01/185900001.db2.gz KVABKRZVEHNMTQ-ZJUUUORDSA-N 1 0 253.346 0.112 10 0 CCAERO C[C@@H]([NH3+])C1CCN(c2ccc(S(N)(=O)=O)cn2)CC1 ZINC000104129070 185901296 /nfs/dbraw/zinc/90/12/96/185901296.db2.gz RBTKWOMHCXDOQL-SECBINFHSA-N 1 0 284.385 0.293 10 0 CCAERO CC(=O)N[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000043589277 348311694 /nfs/dbraw/zinc/31/16/94/348311694.db2.gz HWCCMGCKZKFBTR-KBPBESRZSA-N 1 0 281.400 0.893 10 0 CCAERO CN1C[C@H](C(=O)N[C@H](C[NH+](C)C)c2ccccc2)CC1=O ZINC000046170455 348352088 /nfs/dbraw/zinc/35/20/88/348352088.db2.gz AGIJWUWRQZFQRJ-ZIAGYGMSSA-N 1 0 289.379 0.884 10 0 CCAERO FC(F)(F)[C@@H]1C[C@@H]([NH2+]CCn2cncn2)CCO1 ZINC000348062484 137370732 /nfs/dbraw/zinc/37/07/32/137370732.db2.gz YQIGAHIUCDUNSU-IUCAKERBSA-N 1 0 264.251 0.978 10 0 CCAERO CCn1cc(CN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cn1 ZINC000120589455 349994559 /nfs/dbraw/zinc/99/45/59/349994559.db2.gz LBLUCSVEFGBPLC-CHWSQXEVSA-N 1 0 266.389 0.790 10 0 CCAERO CC(C)C[C@H](CN(C)C)[NH2+]C[C@@H](O)Cn1cccn1 ZINC000049555478 348456591 /nfs/dbraw/zinc/45/65/91/348456591.db2.gz PVTSOUWNVYRSBW-ZIAGYGMSSA-N 1 0 268.405 0.810 10 0 CCAERO C[NH+](C)[C@H]1CCN(c2cc(C(N)=S)ccn2)C1 ZINC000104172766 185916129 /nfs/dbraw/zinc/91/61/29/185916129.db2.gz GGFNQBULYUYAAV-JTQLQIEISA-N 1 0 250.371 0.856 10 0 CCAERO Cc1nn(C[C@](C)([NH3+])C(N)=O)c(C)c1Br ZINC000050595039 348477351 /nfs/dbraw/zinc/47/73/51/348477351.db2.gz QUUZLXLMNYPJNO-VIFPVBQESA-N 1 0 275.150 0.465 10 0 CCAERO NS(=O)(=O)c1cccc(NC(=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000054290164 348548139 /nfs/dbraw/zinc/54/81/39/348548139.db2.gz ALACHYRBNKVIOS-JTQLQIEISA-N 1 0 297.380 0.662 10 0 CCAERO O=C(C[C@H]1CCC[NH2+]C1)Nc1cccc(-n2cnnn2)c1 ZINC000054306656 348548815 /nfs/dbraw/zinc/54/88/15/348548815.db2.gz YCIOENJJZCBGJY-LLVKDONJSA-N 1 0 286.339 0.991 10 0 CCAERO CCNC(=O)N1CCN(C(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000054307744 348549346 /nfs/dbraw/zinc/54/93/46/348549346.db2.gz QBIWGEHQZMWSSL-GFCCVEGCSA-N 1 0 282.388 0.250 10 0 CCAERO COC(=O)[C@@H](NC(=O)C[C@@H]1CCC[NH2+]C1)C(C)C ZINC000054307102 348549802 /nfs/dbraw/zinc/54/98/02/348549802.db2.gz KWYLZWCQHYYWBP-JQWIXIFHSA-N 1 0 256.346 0.690 10 0 CCAERO CCCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CCCO ZINC000052762732 348514712 /nfs/dbraw/zinc/51/47/12/348514712.db2.gz JYJPATJATLEBPK-LBPRGKRZSA-N 1 0 285.388 0.849 10 0 CCAERO CCc1csc(NCC(=O)N2CC[NH2+]CC2)n1 ZINC000061894832 348660796 /nfs/dbraw/zinc/66/07/96/348660796.db2.gz PRJQOSTXJOXOMM-UHFFFAOYSA-N 1 0 254.359 0.549 10 0 CCAERO FC(F)(F)CN1CCN(C2CC[NH2+]CC2)CC1 ZINC000061941412 348661485 /nfs/dbraw/zinc/66/14/85/348661485.db2.gz ZKYFTADRUMJOAH-UHFFFAOYSA-N 1 0 251.296 0.918 10 0 CCAERO Cc1cc(NC(=O)[C@@H]2CC[NH2+]C2)ccc1-n1cnnn1 ZINC000062114131 348664219 /nfs/dbraw/zinc/66/42/19/348664219.db2.gz QHNFXOSCBJIBDJ-SNVBAGLBSA-N 1 0 272.312 0.519 10 0 CCAERO C[C@H](CCCO)[NH+]1CCN(c2ncccn2)CC1 ZINC000058826943 348631614 /nfs/dbraw/zinc/63/16/14/348631614.db2.gz PESBHILADBNXLH-GFCCVEGCSA-N 1 0 250.346 0.760 10 0 CCAERO CC(C)(C)OC(=O)N1CCN(C2CC[NH2+]CC2)C(=O)C1 ZINC000059721938 348638619 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ZINC000084693545 349324289 /nfs/dbraw/zinc/32/42/89/349324289.db2.gz KPBRGVVPKFWJCE-UHFFFAOYSA-N 1 0 283.416 0.699 10 0 CCAERO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1COCCN1 ZINC000088357672 349360981 /nfs/dbraw/zinc/36/09/81/349360981.db2.gz WJPNOFCMFREXNI-QWHCGFSZSA-N 1 0 271.405 0.602 10 0 CCAERO C[C@]1(CO)CCC[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000408399808 137880088 /nfs/dbraw/zinc/88/00/88/137880088.db2.gz LDWUDTZDSDPOOX-QJPTWQEYSA-N 1 0 261.387 0.562 10 0 CCAERO CN1CCN(C(=O)C[NH+]2CCC(c3cc[nH]n3)CC2)CC1 ZINC000120923282 350013459 /nfs/dbraw/zinc/01/34/59/350013459.db2.gz SYKNDQXDFXPIDD-UHFFFAOYSA-N 1 0 291.399 0.363 10 0 CCAERO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)NC(=O)c2ccco2)C1 ZINC000121546231 350044423 /nfs/dbraw/zinc/04/44/23/350044423.db2.gz XCXDRARMYFLYJD-NEPJUHHUSA-N 1 0 293.367 0.856 10 0 CCAERO CC[NH2+]C[C@H]1CCCN(S(=O)(=O)N(C)C(C)C)C1 ZINC000104426554 185998722 /nfs/dbraw/zinc/99/87/22/185998722.db2.gz JOKVZTJYZJJGMZ-GFCCVEGCSA-N 1 0 277.434 0.893 10 0 CCAERO O=C(C[C@H]1CCC[NH2+]C1)NCCC(=O)N1CCCCC1 ZINC000124134182 350090032 /nfs/dbraw/zinc/09/00/32/350090032.db2.gz ZXBOCHWQDRGOPF-CYBMUJFWSA-N 1 0 281.400 0.895 10 0 CCAERO Cn1nccc1NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000125110310 350115241 /nfs/dbraw/zinc/11/52/41/350115241.db2.gz DKBBKSQTCQIYDL-SNVBAGLBSA-N 1 0 267.333 0.214 10 0 CCAERO C[C@@H]([NH3+])CNc1ncc(I)cn1 ZINC000126256971 350141357 /nfs/dbraw/zinc/14/13/57/350141357.db2.gz MNSSWVKTGANHGP-RXMQYKEDSA-N 1 0 278.097 0.840 10 0 CCAERO CN(CC[NH3+])c1ncc(I)cn1 ZINC000126247851 350141464 /nfs/dbraw/zinc/14/14/64/350141464.db2.gz GIIIMMSUHJLPCT-UHFFFAOYSA-N 1 0 278.097 0.476 10 0 CCAERO CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000127302911 350166778 /nfs/dbraw/zinc/16/67/78/350166778.db2.gz NCXZDIIAXGVVLF-HUUCEWRRSA-N 1 0 295.427 0.840 10 0 CCAERO OCCOCC[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000128070936 350184316 /nfs/dbraw/zinc/18/43/16/350184316.db2.gz ULCJYLQZIVWFSV-STQMWFEESA-N 1 0 253.346 0.965 10 0 CCAERO C[C@@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)N1CCOCC1 ZINC000129503077 350216444 /nfs/dbraw/zinc/21/64/44/350216444.db2.gz IVXKKAJNDDFOSO-UONOGXRCSA-N 1 0 298.431 0.300 10 0 CCAERO C[C@@H]1CN(C(=O)C(C)(C)N2CC[NH2+]CC2)CC(C)(C)O1 ZINC000129720915 350221376 /nfs/dbraw/zinc/22/13/76/350221376.db2.gz BNWDJGZDDCNDTK-GFCCVEGCSA-N 1 0 283.416 0.696 10 0 CCAERO COCCN(CC[NH+](C)C)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000105146105 186043755 /nfs/dbraw/zinc/04/37/55/186043755.db2.gz FRFWUTPIWDKQND-CHWSQXEVSA-N 1 0 287.404 0.774 10 0 CCAERO CCCC(=O)NCC(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000105320472 186051577 /nfs/dbraw/zinc/05/15/77/186051577.db2.gz APSIVVIVXMVTLR-NSHDSACASA-N 1 0 255.362 0.361 10 0 CCAERO CNC(=O)C(C)(C)CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000130510978 350239835 /nfs/dbraw/zinc/23/98/35/350239835.db2.gz HTZQDNWJGUNVMR-LBPRGKRZSA-N 1 0 296.415 0.638 10 0 CCAERO C[C@H]([C@H](C)NC(=O)NC[C@@H]1CCC[N@@H+]1C)N1CCOCC1 ZINC000105191675 186045724 /nfs/dbraw/zinc/04/57/24/186045724.db2.gz FVYNOYGQPQJTTK-MJBXVCDLSA-N 1 0 298.431 0.489 10 0 CCAERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCOCCO)C2)n1 ZINC000132976211 350321075 /nfs/dbraw/zinc/32/10/75/350321075.db2.gz ZIULUFAYGMLNRC-CQSZACIVSA-N 1 0 282.388 0.616 10 0 CCAERO Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCC[NH+](C)C ZINC000133840934 350346361 /nfs/dbraw/zinc/34/63/61/350346361.db2.gz BVRAOKCERSRILD-JTQLQIEISA-N 1 0 266.349 0.282 10 0 CCAERO COc1c(C[NH2+]C[C@@H]2COCCO2)c(C)nn1C ZINC000134134891 350355412 /nfs/dbraw/zinc/35/54/12/350355412.db2.gz XVAHEMSKUGEKAT-SNVBAGLBSA-N 1 0 255.318 0.242 10 0 CCAERO CCOC(=O)c1cnc(N2CC[C@H]([NH2+]C)C2)nc1C ZINC000134318640 350360871 /nfs/dbraw/zinc/36/08/71/350360871.db2.gz OLGQULZJSDKMHX-JTQLQIEISA-N 1 0 264.329 0.760 10 0 CCAERO COC(=O)c1coc(C[NH2+]C[C@@H]2CN(C)CCO2)c1 ZINC000134596293 350370306 /nfs/dbraw/zinc/37/03/06/350370306.db2.gz QSEWEYPJZHPNIG-GFCCVEGCSA-N 1 0 268.313 0.486 10 0 CCAERO C[C@H](NC(=O)[C@@]1(C)CCCC[NH2+]1)c1nnc2n1CCC2 ZINC000136197742 350417545 /nfs/dbraw/zinc/41/75/45/350417545.db2.gz LNRFDWRFCUHTOL-IINYFYTJSA-N 1 0 277.372 0.934 10 0 CCAERO CN(C)C(=O)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886206 186083328 /nfs/dbraw/zinc/08/33/28/186083328.db2.gz MGTFCLWEMSSKCL-UHFFFAOYSA-N 1 0 250.346 0.683 10 0 CCAERO CCOCCCNC(=O)[C@H](C)[NH2+]CCn1cc(C)cn1 ZINC000105881764 186083455 /nfs/dbraw/zinc/08/34/55/186083455.db2.gz VOQANGGOVRLNBD-ZDUSSCGKSA-N 1 0 282.388 0.712 10 0 CCAERO C[C@@H](C(F)(F)F)S(=O)(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000334987887 295809297 /nfs/dbraw/zinc/80/92/97/295809297.db2.gz PZLBDRUXTMDBAY-DTWKUNHWSA-N 1 0 286.319 0.952 10 0 CCAERO C[NH+](C)C[C@H]1CN(C[C@H](O)Cc2ccccc2)CCO1 ZINC000105904451 186088250 /nfs/dbraw/zinc/08/82/50/186088250.db2.gz URXRXADEJPIHMQ-CVEARBPZSA-N 1 0 278.396 0.852 10 0 CCAERO CCNC(=O)CN1CC[N@H+](CCOCC)[C@@H](CC)C1 ZINC000105915086 186089031 /nfs/dbraw/zinc/08/90/31/186089031.db2.gz PXAWHKYGYPXRMV-ZDUSSCGKSA-N 1 0 271.405 0.555 10 0 CCAERO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000105932920 186091833 /nfs/dbraw/zinc/09/18/33/186091833.db2.gz MNUHSGIVZANIKM-YNEHKIRRSA-N 1 0 271.405 0.600 10 0 CCAERO CC(C)N(C(=O)[C@H](C)[NH2+]C[C@@H]1CN(C)CCO1)C(C)C ZINC000105933302 186092011 /nfs/dbraw/zinc/09/20/11/186092011.db2.gz PJMCYZWKTSFRKO-UONOGXRCSA-N 1 0 285.432 0.941 10 0 CCAERO O=C(Cc1ccc2c(c1)COC2=O)N1CC[NH2+]CC1 ZINC000146073200 350466036 /nfs/dbraw/zinc/46/60/36/350466036.db2.gz RTHKNTKWNYZUAZ-UHFFFAOYSA-N 1 0 260.293 0.331 10 0 CCAERO CNC(=O)CCC[N@H+](C)C[C@@H](O)COC(C)(C)C ZINC000154865792 350602479 /nfs/dbraw/zinc/60/24/79/350602479.db2.gz CCGOUBSQLGULME-LLVKDONJSA-N 1 0 260.378 0.620 10 0 CCAERO CC(C)(C)OC(=O)[C@@H]1CCCN1C[C@@H]1CNC(=O)O1 ZINC000157193451 350641134 /nfs/dbraw/zinc/64/11/34/350641134.db2.gz HSPSJCGYEBPFLZ-UWVGGRQHSA-N 1 0 270.329 0.901 10 0 CCAERO O=C([C@@H]1[NH2+]CCc2ccccc21)N1CCO[C@H](CO)C1 ZINC000157892325 350651560 /nfs/dbraw/zinc/65/15/60/350651560.db2.gz ZJWICWQMDGEOCP-GXTWGEPZSA-N 1 0 276.336 0.093 10 0 CCAERO CCOC(=O)c1cccnc1N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000156537104 350631330 /nfs/dbraw/zinc/63/13/30/350631330.db2.gz CHBOENDNHWMTHV-ZYHUDNBSSA-N 1 0 279.340 0.811 10 0 CCAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000156759140 350634608 /nfs/dbraw/zinc/63/46/08/350634608.db2.gz JTEXNMLXYKTIIE-STQMWFEESA-N 1 0 298.431 0.883 10 0 CCAERO C[NH2+]C[C@H](C)C(=O)N1CCCN(c2cccnn2)CC1 ZINC000167876555 350815737 /nfs/dbraw/zinc/81/57/37/350815737.db2.gz QKTAESXUEZADIE-LBPRGKRZSA-N 1 0 277.372 0.371 10 0 CCAERO O=C(CNc1ccc(C(F)(F)F)nn1)N1CC[NH2+]CC1 ZINC000164657651 350781085 /nfs/dbraw/zinc/78/10/85/350781085.db2.gz WILGIWXAWAMJPU-UHFFFAOYSA-N 1 0 289.261 0.339 10 0 CCAERO Cc1cccc(N2CCC(NC(=O)[C@@H](C)[NH3+])CC2)n1 ZINC000169023765 350835125 /nfs/dbraw/zinc/83/51/25/350835125.db2.gz HCPIRILESZEHJL-LLVKDONJSA-N 1 0 262.357 0.822 10 0 CCAERO CC(C)n1nnnc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000170739169 350856282 /nfs/dbraw/zinc/85/62/82/350856282.db2.gz XTPKBEKDHRQDFN-GFCCVEGCSA-N 1 0 264.377 0.924 10 0 CCAERO CC[C@H]1CN(Cc2ncc[nH]2)CC[N@@H+]1C[C@@H](C)O ZINC000111227895 186371780 /nfs/dbraw/zinc/37/17/80/186371780.db2.gz FGLLJZVNRSKRLY-NEPJUHHUSA-N 1 0 252.362 0.687 10 0 CCAERO C[NH+](C)[C@@H]1CCN(C(=O)NCc2nccs2)C1 ZINC000170831814 350865690 /nfs/dbraw/zinc/86/56/90/350865690.db2.gz VWIZAPOBESGWIR-SECBINFHSA-N 1 0 254.359 0.989 10 0 CCAERO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2F)C1 ZINC000170845244 350866636 /nfs/dbraw/zinc/86/66/36/350866636.db2.gz IGSHLAWVYVGRGB-SNVBAGLBSA-N 1 0 279.315 0.927 10 0 CCAERO NC(=O)N1CCC[C@@H](C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000171585221 350917027 /nfs/dbraw/zinc/91/70/27/350917027.db2.gz QHSQPBKQUNYLPU-VXGBXAGGSA-N 1 0 280.372 0.084 10 0 CCAERO CCN1CCN(C(=O)[C@@H](C)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000171639578 350922941 /nfs/dbraw/zinc/92/29/41/350922941.db2.gz RSLHVEUQTRUGNQ-HUUCEWRRSA-N 1 0 294.443 0.319 10 0 CCAERO O=C(CC[N@@H+]1CCC[C@@H](n2cncn2)C1)N1CCOCC1 ZINC000171705769 350929913 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C[C@@H]1C[N@@H+](CCCNC(=O)CC(=O)N(C)C)C[C@H](C)O1 ZINC000174500741 351088765 /nfs/dbraw/zinc/08/87/65/351088765.db2.gz FXXDAPGDJUZQAZ-TXEJJXNPSA-N 1 0 285.388 0.080 10 0 CCAERO CO[C@H](C)C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000176442331 351174184 /nfs/dbraw/zinc/17/41/84/351174184.db2.gz XDRWPSXUHLIHMO-VXGBXAGGSA-N 1 0 272.389 0.573 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000176977387 351190090 /nfs/dbraw/zinc/19/00/90/351190090.db2.gz BMCHLDPMFRQEPA-CHWSQXEVSA-N 1 0 296.415 0.720 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)CC(=O)NCCC(=O)OC ZINC000175351239 351127518 /nfs/dbraw/zinc/12/75/18/351127518.db2.gz ONMFFJVTNHTHHB-LBPRGKRZSA-N 1 0 285.388 0.082 10 0 CCAERO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H]1CCNC1=O)CC2 ZINC000179067590 351258521 /nfs/dbraw/zinc/25/85/21/351258521.db2.gz BTTKBQDXDDPABE-UWVGGRQHSA-N 1 0 263.345 0.194 10 0 CCAERO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177273544 351199629 /nfs/dbraw/zinc/19/96/29/351199629.db2.gz 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O=C(Nc1ccc(N2CCOCC2)cn1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188708566 351619537 /nfs/dbraw/zinc/61/95/37/351619537.db2.gz QPRPIWPZYCCABZ-CMPLNLGQSA-N 1 0 294.330 0.557 10 0 CCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H](O)c2ccc(F)cc2)C1 ZINC000191891430 351777014 /nfs/dbraw/zinc/77/70/14/351777014.db2.gz KPCSFCZWJXTTGE-YNEHKIRRSA-N 1 0 282.315 0.352 10 0 CCAERO C[C@@H]1C[N@H+](CCN2CCO[C@H](C)C2)C[C@@H]1N1CCOCC1 ZINC000192754676 351796823 /nfs/dbraw/zinc/79/68/23/351796823.db2.gz OILOJVXSNLHWEK-OAGGEKHMSA-N 1 0 297.443 0.360 10 0 CCAERO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCCNC(=O)[C@@H]1C ZINC000191385691 351755438 /nfs/dbraw/zinc/75/54/38/351755438.db2.gz JZLRUEIPIRYNQG-STQMWFEESA-N 1 0 296.415 0.781 10 0 CCAERO CC[N@H+](CCNC(=O)N1CCCNC(=O)[C@@H]1C)C1CC1 ZINC000191367087 351755855 /nfs/dbraw/zinc/75/58/55/351755855.db2.gz SLPKGGCITCCPOE-NSHDSACASA-N 1 0 282.388 0.391 10 0 CCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCCNC(=O)[C@@H]2C)C1 ZINC000191472264 351760060 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COc1c(C[NH2+]C[C@]2(OC)CCOC2)c(C)nn1C ZINC000122884623 187057728 /nfs/dbraw/zinc/05/77/28/187057728.db2.gz RHLMLTLSCXKDSS-CYBMUJFWSA-N 1 0 269.345 0.632 10 0 CCAERO c1cnnc(N2CCC[N@@H+](CCC3OCCO3)CC2)c1 ZINC000124162932 187125310 /nfs/dbraw/zinc/12/53/10/187125310.db2.gz GQZULCMTTOKYLA-UHFFFAOYSA-N 1 0 278.356 0.752 10 0 CCAERO O=C(CNC(=O)c1cccs1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195319961 351910307 /nfs/dbraw/zinc/91/03/07/351910307.db2.gz OGVCJFSLZAWJPY-NSHDSACASA-N 1 0 293.392 0.785 10 0 CCAERO C[NH+]1CCC(C)(CNC(=O)C2=NNC(=O)CC2)CC1 ZINC000227507736 352051715 /nfs/dbraw/zinc/05/17/15/352051715.db2.gz FBADPTGNWCUBMR-UHFFFAOYSA-N 1 0 266.345 0.101 10 0 CCAERO O=C(C[N@H+]1CC[C@@H](CCO)C1)NC(=O)NCc1ccco1 ZINC000227568418 352054389 /nfs/dbraw/zinc/05/43/89/352054389.db2.gz KNLYKILJHHPDAD-NSHDSACASA-N 1 0 295.339 0.310 10 0 CCAERO Cc1n[nH]c(C)c1S(=O)(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000226463379 352027842 /nfs/dbraw/zinc/02/78/42/352027842.db2.gz YIUVUMYHZYJHKS-NSHDSACASA-N 1 0 286.401 0.789 10 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GARQZUBMXLKJGE-OLZOCXBDSA-N 1 0 269.389 0.165 10 0 CCAERO C[C@@H](C(=O)NC[C@H]1CN(C)CCO1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245203151 352316140 /nfs/dbraw/zinc/31/61/40/352316140.db2.gz ZWIUEGHAVAOUJN-CRWXNKLISA-N 1 0 283.416 0.695 10 0 CCAERO CN1CCO[C@H](CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)C1 ZINC000245200796 352316669 /nfs/dbraw/zinc/31/66/69/352316669.db2.gz CTDQDTXWWZTVLH-QNMSZWNNSA-N 1 0 294.395 0.829 10 0 CCAERO Cn1ccs/c1=N\C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237921163 352289240 /nfs/dbraw/zinc/28/92/40/352289240.db2.gz FOGRXABSVWSQOH-OWBHPGMISA-N 1 0 292.368 0.344 10 0 CCAERO CCn1cc(C(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cn1 ZINC000245612269 352330882 /nfs/dbraw/zinc/33/08/82/352330882.db2.gz BWMFSELMKNLHRL-DGCLKSJQSA-N 1 0 290.367 0.781 10 0 CCAERO CC[C@@H]1CN(Cc2cc[nH]n2)CC[N@@H+]1C[C@H](C)O ZINC000245693370 352334196 /nfs/dbraw/zinc/33/41/96/352334196.db2.gz BUKZXJWGQFWNSZ-WCQYABFASA-N 1 0 252.362 0.687 10 0 CCAERO C[C@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)[C@@H]1CCCO1 ZINC000246028848 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CCAERO O=C([C@H]1C[NH2+]CCOC1)N1CCC[C@@H]1c1cccnc1 ZINC000643767640 390538126 /nfs/dbraw/zinc/53/81/26/390538126.db2.gz DLXZUSAUHZUVDQ-UONOGXRCSA-N 1 0 275.352 0.981 10 0 CCAERO Cc1nc(CNC(=O)[C@@H]2C[NH2+]CCOC2)cs1 ZINC000643778451 390542596 /nfs/dbraw/zinc/54/25/96/390542596.db2.gz BWWHOCADGPFSEH-SECBINFHSA-N 1 0 255.343 0.304 10 0 CCAERO O=C(NCCCc1ccccn1)[C@H]1C[NH2+]CCOC1 ZINC000643780372 390545147 /nfs/dbraw/zinc/54/51/47/390545147.db2.gz FLEKYECSLLLLQY-LBPRGKRZSA-N 1 0 263.341 0.366 10 0 CCAERO CCOC[C@@H](NC(=O)[C@@]1(COC)CCC[NH2+]1)C(C)C ZINC000643781146 390547127 /nfs/dbraw/zinc/54/71/27/390547127.db2.gz JWHAWRDCKDVHDQ-OCCSQVGLSA-N 1 0 272.389 0.932 10 0 CCAERO NC(=O)c1cn([C@@H]2CC[N@H+](Cc3cccc(F)c3)C2)nn1 ZINC000643787740 390550290 /nfs/dbraw/zinc/55/02/90/390550290.db2.gz GBXOIVITCPQLMJ-GFCCVEGCSA-N 1 0 289.314 0.963 10 0 CCAERO COC[C@]1(C(=O)NCc2cnc(C)s2)CCC[NH2+]1 ZINC000649305814 390564942 /nfs/dbraw/zinc/56/49/42/390564942.db2.gz CUSZHZGYTNZUKB-LBPRGKRZSA-N 1 0 269.370 0.836 10 0 CCAERO Cc1nn(C)c(=O)c(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c1C ZINC000644064943 390641491 /nfs/dbraw/zinc/64/14/91/390641491.db2.gz GHPBNDGTQWURHA-GHMZBOCLSA-N 1 0 278.356 0.254 10 0 CCAERO CC[C@@H](NC(=O)[C@H]1C[NH2+]CCOC1)c1nccs1 ZINC000649337816 390593553 /nfs/dbraw/zinc/59/35/53/390593553.db2.gz RPUYAFCTXALWTH-VHSXEESVSA-N 1 0 269.370 0.946 10 0 CCAERO O=C(CCn1ccccc1=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000646640666 390702498 /nfs/dbraw/zinc/70/24/98/390702498.db2.gz VUTCAHAPQDCEGA-FUNVUKJBSA-N 1 0 275.352 0.638 10 0 CCAERO COc1cc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)ccc1F ZINC000647038026 390762657 /nfs/dbraw/zinc/76/26/57/390762657.db2.gz NPVGWFWOYKNKFG-KOLCDFICSA-N 1 0 268.288 0.144 10 0 CCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000647045371 390764743 /nfs/dbraw/zinc/76/47/43/390764743.db2.gz JOBCVVVGKKHQRD-PSASIEDQSA-N 1 0 275.308 0.579 10 0 CCAERO [NH3+]CCOCCOCCOCCOCC(F)(F)F ZINC000575410980 390839446 /nfs/dbraw/zinc/83/94/46/390839446.db2.gz 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10 0 CCAERO Cc1ccc2c(c1)NC(=O)[C@H](CC(=O)NCC[NH+](C)C)O2 ZINC000005069739 292335791 /nfs/dbraw/zinc/33/57/91/292335791.db2.gz FQMXYOPXCLUURI-ZDUSSCGKSA-N 1 0 291.351 0.762 10 0 aggregator CCAERO CO[C@H](C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)C1CCC1 ZINC000659305128 413393880 /nfs/dbraw/zinc/39/38/80/413393880.db2.gz YRTNTWQMVFAFBU-RVMXOQNASA-N 1 0 252.358 0.997 10 0 CCAERO CN(Cc1cn(C)nn1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000659368981 413454573 /nfs/dbraw/zinc/45/45/73/413454573.db2.gz RMRIMNOYBXKIRJ-GXSJLCMTSA-N 1 0 251.334 0.149 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)Cc1cn(C)nn1 ZINC000659369046 413454728 /nfs/dbraw/zinc/45/47/28/413454728.db2.gz SHQVEOMKJUMVJW-ONGXEEELSA-N 1 0 251.334 0.162 10 0 CCAERO CCS(=O)(=O)C1(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000659379482 413461765 /nfs/dbraw/zinc/46/17/65/413461765.db2.gz IJSOQBIKCYUHLH-ZJUUUORDSA-N 1 0 274.386 0.197 10 0 CCAERO O=C([C@H]1COCCN1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000088372410 304456474 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O=S(=O)(Nc1cccc(Cl)c1)N1CC[NH2+]CC1 ZINC000020247615 171101301 /nfs/dbraw/zinc/10/13/01/171101301.db2.gz IOBQAUVEYBBTSC-UHFFFAOYSA-N 1 0 275.761 0.902 10 0 CCAERO CCNS(=O)(=O)c1c(C)cc(OCC[NH3+])cc1C ZINC000020267911 171124089 /nfs/dbraw/zinc/12/40/89/171124089.db2.gz CRDVYSDDSCZORZ-UHFFFAOYSA-N 1 0 272.370 0.939 10 0 CCAERO COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN2CCC1CC2 ZINC000020366057 171164982 /nfs/dbraw/zinc/16/49/82/171164982.db2.gz SKSMRAMIFHTJAX-DGCLKSJQSA-N 1 0 269.389 0.211 10 0 CCAERO COCCCNC(=O)[C@@H](C)[N@H+](C)CCC(N)=S ZINC000020420662 171185763 /nfs/dbraw/zinc/18/57/63/171185763.db2.gz GSIVCLYTFWPUPG-SECBINFHSA-N 1 0 261.391 0.136 10 0 CCAERO COC(=O)[C@H](C[NH3+])Cc1ccc(OC)cc1OC ZINC000020579427 171256897 /nfs/dbraw/zinc/25/68/97/171256897.db2.gz ZJXTVVCFHLZZBB-JTQLQIEISA-N 1 0 253.298 0.994 10 0 CCAERO C[C@H]([NH3+])c1cccc(S(=O)(=O)N2CCC(O)CC2)c1 ZINC000021808502 171328326 /nfs/dbraw/zinc/32/83/26/171328326.db2.gz OTPILQAPMBBSLJ-JTQLQIEISA-N 1 0 284.381 0.852 10 0 CCAERO NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2C[NH3+])C1 ZINC000022175972 171370648 /nfs/dbraw/zinc/37/06/48/171370648.db2.gz LPGLXOGQGDHMED-LLVKDONJSA-N 1 0 297.380 0.031 10 0 CCAERO COC[C@@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653057600 412203434 /nfs/dbraw/zinc/20/34/34/412203434.db2.gz IZCLYZWLBFFDRU-BWZBUEFSSA-N 1 0 254.252 0.535 10 0 CCAERO O=C(Nc1nncs1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653055916 412204481 /nfs/dbraw/zinc/20/44/81/412204481.db2.gz OXXBWCRLTFGEGV-RFZPGFLSSA-N 1 0 266.248 0.875 10 0 CCAERO COCCCCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653069554 412208639 /nfs/dbraw/zinc/20/86/39/412208639.db2.gz SJVAEAJDNMURHC-RKDXNWHRSA-N 1 0 268.279 0.927 10 0 CCAERO COC[C@]1(C(=O)N2CCC(CCO)CC2)CCC[NH2+]1 ZINC000653256122 412272621 /nfs/dbraw/zinc/27/26/21/412272621.db2.gz XYFRCEVVCXMDLA-AWEZNQCLSA-N 1 0 270.373 0.376 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000653138780 412238082 /nfs/dbraw/zinc/23/80/82/412238082.db2.gz JTTYJGOABQBLOO-MLGHIDQZSA-N 1 0 250.342 0.285 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc2[nH]ccc2c1 ZINC000653139304 412238270 /nfs/dbraw/zinc/23/82/70/412238270.db2.gz ZGBZKTVFISUEBU-AAEUAGOBSA-N 1 0 259.309 0.478 10 0 CCAERO C[C@@H]([NH2+]CC(=O)NC1CC1)C(=O)N1CCCCC1 ZINC000035140815 172008281 /nfs/dbraw/zinc/00/82/81/172008281.db2.gz CAOAHOJIBSCMQD-SNVBAGLBSA-N 1 0 253.346 0.256 10 0 CCAERO CC[NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C ZINC000035161794 172021457 /nfs/dbraw/zinc/02/14/57/172021457.db2.gz QTUHHZYLUKNKRC-LLVKDONJSA-N 1 0 271.386 0.969 10 0 CCAERO CC[N@H+](Cc1ccccc1N)[C@H](C)C(=O)NC(N)=O ZINC000035364655 172154594 /nfs/dbraw/zinc/15/45/94/172154594.db2.gz VIRDNKKFGRZBRB-SECBINFHSA-N 1 0 264.329 0.674 10 0 CCAERO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1COCCN1 ZINC000246513427 287266483 /nfs/dbraw/zinc/26/64/83/287266483.db2.gz QSKLOODRYZGCMB-ZIAGYGMSSA-N 1 0 283.416 0.746 10 0 CCAERO CN(Cc1ccsc1)C(=O)[C@H]([NH3+])CCS(C)(=O)=O ZINC000035719283 172372942 /nfs/dbraw/zinc/37/29/42/172372942.db2.gz AAKMUDNFRDJMEO-SNVBAGLBSA-N 1 0 290.410 0.469 10 0 CCAERO COCCCNC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000035735652 172388563 /nfs/dbraw/zinc/38/85/63/172388563.db2.gz GRDKZEVPEYAVQV-WOPDTQHZSA-N 1 0 258.362 0.685 10 0 CCAERO CN(C(=O)c1cc(Cl)cn1C)[C@@H]1C[NH2+]C[C@H]1O ZINC000036261502 172554551 /nfs/dbraw/zinc/55/45/51/172554551.db2.gz IRSPDJCEHSDYIE-NXEZZACHSA-N 1 0 257.721 0.083 10 0 CCAERO CC[C@@H]1CN([C@]2(C[NH3+])CN3CCC2CC3)CCO1 ZINC000036769482 172688462 /nfs/dbraw/zinc/68/84/62/172688462.db2.gz KXFYJXRFZHEDCO-ZIAGYGMSSA-N 1 0 253.390 0.520 10 0 CCAERO CN(Cc1ccco1)C(=O)CN1CCC[NH2+]CC1 ZINC000036946392 172821504 /nfs/dbraw/zinc/82/15/04/172821504.db2.gz HSHYJFJTLFBGDN-UHFFFAOYSA-N 1 0 251.330 0.533 10 0 CCAERO CNC(=O)COc1cccc(NC(=O)CCC[NH3+])c1 ZINC000037023080 172887176 /nfs/dbraw/zinc/88/71/76/172887176.db2.gz QIJQDKCLBUSSFJ-UHFFFAOYSA-N 1 0 265.313 0.489 10 0 CCAERO CN(C)C(=O)CN(C)C[C@@H](O)c1ccc(C[NH3+])cc1 ZINC000037270216 173082337 /nfs/dbraw/zinc/08/23/37/173082337.db2.gz MMIIWVXAEJHCPA-CYBMUJFWSA-N 1 0 265.357 0.199 10 0 CCAERO CN(C(=O)c1ccc(C[NH3+])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000037507140 173242102 /nfs/dbraw/zinc/24/21/02/173242102.db2.gz XHWYGRCAMDKGEJ-GFCCVEGCSA-N 1 0 282.365 0.404 10 0 CCAERO COc1cc(CC[NH3+])ccc1OC[C@H](C)C(N)=O ZINC000037721483 173639389 /nfs/dbraw/zinc/63/93/89/173639389.db2.gz AEPOIBBAVRJYCL-VIFPVBQESA-N 1 0 252.314 0.697 10 0 CCAERO COCCOCCOCCC[N@@H+]1C[C@H](C)C[C@@H](O)C1 ZINC000660758968 414472076 /nfs/dbraw/zinc/47/20/76/414472076.db2.gz XNCLRLJIMXEYES-ZIAGYGMSSA-N 1 0 275.389 0.759 10 0 CCAERO CC(C)[NH+]1CCC(C(=O)[O-])(N2CCC[NH2+]CC2)CC1 ZINC000037958929 173902813 /nfs/dbraw/zinc/90/28/13/173902813.db2.gz KGSHOOIZXUFMHW-UHFFFAOYSA-N 1 0 269.389 0.609 10 0 CCAERO COc1nc2sccn2c1C[NH2+]C[C@@H]1COCCO1 ZINC000038054789 174066254 /nfs/dbraw/zinc/06/62/54/174066254.db2.gz RKOCOZSHYKGNDK-SECBINFHSA-N 1 0 283.353 0.909 10 0 CCAERO Oc1ccc2c(c1)OC[C@H]2[NH2+]C[C@H]1COCCO1 ZINC000038060499 174070887 /nfs/dbraw/zinc/07/08/87/174070887.db2.gz IGPZTWVVHFIBFW-CMPLNLGQSA-N 1 0 251.282 0.831 10 0 CCAERO CCN(CC)C(=O)[C@H](C)NC(=O)CC1CC[NH2+]CC1 ZINC000038075191 174085080 /nfs/dbraw/zinc/08/50/80/174085080.db2.gz IFCORYKWNNJSAK-NSHDSACASA-N 1 0 269.389 0.749 10 0 CCAERO [NH3+]CCCCCCC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000038083763 174093447 /nfs/dbraw/zinc/09/34/47/174093447.db2.gz PEEIKLOSNIWSFQ-LLVKDONJSA-N 1 0 276.402 0.447 10 0 CCAERO COc1cccc(C[NH3+])c1O[C@@H]1CCS(=O)(=O)C1 ZINC000038084622 174095335 /nfs/dbraw/zinc/09/53/35/174095335.db2.gz FOQMLOLHOAONCJ-SNVBAGLBSA-N 1 0 271.338 0.720 10 0 CCAERO COc1ccc(CC[NH3+])cc1O[C@@H]1CCS(=O)(=O)C1 ZINC000038085537 174095792 /nfs/dbraw/zinc/09/57/92/174095792.db2.gz CLJIBILWIWFAJW-LLVKDONJSA-N 1 0 285.365 0.762 10 0 CCAERO COc1cc(CC[NH3+])ccc1O[C@H]1CCS(=O)(=O)C1 ZINC000038085532 174096268 /nfs/dbraw/zinc/09/62/68/174096268.db2.gz DHICFDLUILRKLK-NSHDSACASA-N 1 0 285.365 0.762 10 0 CCAERO C[C@@H](c1cccc(-n2cnnn2)c1)N1CC[NH2+]CC1 ZINC000038086715 174097627 /nfs/dbraw/zinc/09/76/27/174097627.db2.gz HDBOXDGFZNCHLK-NSHDSACASA-N 1 0 258.329 0.629 10 0 CCAERO NC(=O)C1CCC([NH2+]CC(=O)N2CCCC2)CC1 ZINC000038092056 174105396 /nfs/dbraw/zinc/10/53/96/174105396.db2.gz ITFQBXGLUZEFKP-UHFFFAOYSA-N 1 0 253.346 0.243 10 0 CCAERO CC(C)N1C(=O)C[C@H]([NH2+]CC[C@@H]2CCCO2)C1=O ZINC000038096517 174110087 /nfs/dbraw/zinc/11/00/87/174110087.db2.gz VRUNYRKKYJUEGD-QWRGUYRKSA-N 1 0 254.330 0.681 10 0 CCAERO CCCN1C(=O)C[C@@H](NC2CC[NH+](CC)CC2)C1=O ZINC000038098315 174113179 /nfs/dbraw/zinc/11/31/79/174113179.db2.gz QGSVUNCHVMOMGG-GFCCVEGCSA-N 1 0 267.373 0.598 10 0 CCAERO COCCOCCOCCCN1C[C@H](C)[C@H]([NH3+])C1 ZINC000662275713 414704738 /nfs/dbraw/zinc/70/47/38/414704738.db2.gz DLGLRZZNFJURCT-QWHCGFSZSA-N 1 0 260.378 0.335 10 0 CCAERO FC1(F)C[C@@H]1OCCN1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000662285465 414706237 /nfs/dbraw/zinc/70/62/37/414706237.db2.gz KBQUURRYHUEGAE-VWYCJHECSA-N 1 0 262.300 0.473 10 0 CCAERO CN1C[C@@H](CNC(=O)c2ccc(C[NH3+])cc2)CC1=O ZINC000662695730 414742360 /nfs/dbraw/zinc/74/23/60/414742360.db2.gz PIPLWYLOLQCHBT-LLVKDONJSA-N 1 0 261.325 0.353 10 0 CCAERO C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H]1CC(=O)N(C)C1 ZINC000662695383 414742684 /nfs/dbraw/zinc/74/26/84/414742684.db2.gz KVLSABFNMWCNEY-GHMZBOCLSA-N 1 0 269.389 0.605 10 0 CCAERO [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[C@@H]3COC[C@H]3C2)C1 ZINC000662710757 414744910 /nfs/dbraw/zinc/74/49/10/414744910.db2.gz JITKOTDPCJKBII-UMSGYPCISA-N 1 0 252.358 0.999 10 0 CCAERO Cn1ncc(Cl)c1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000662830266 414823924 /nfs/dbraw/zinc/82/39/24/414823924.db2.gz CJSHUNWTNJZYGM-RXMQYKEDSA-N 1 0 270.642 0.693 10 0 CCAERO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2COCCN2)C1 ZINC000662844793 414836995 /nfs/dbraw/zinc/83/69/95/414836995.db2.gz BFCFPUIWMXLYCN-NEPJUHHUSA-N 1 0 269.389 0.211 10 0 CCAERO COC[C@]1(C(=O)N(C)CC2=CCCOC2)CCC[NH2+]1 ZINC000662873063 414858524 /nfs/dbraw/zinc/85/85/24/414858524.db2.gz ULMKDUQRJSIOMF-AWEZNQCLSA-N 1 0 268.357 0.560 10 0 CCAERO CN(C(=O)[C@H]1CC(=O)N(C2CC2)C1)[C@H](C[NH3+])C(F)(F)F ZINC000662976295 414929589 /nfs/dbraw/zinc/92/95/89/414929589.db2.gz FJGBSOWAZGTOHD-IONNQARKSA-N 1 0 293.289 0.345 10 0 CCAERO C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662975716 414930696 /nfs/dbraw/zinc/93/06/96/414930696.db2.gz BBMMBTAHFOVYEK-HTQZYQBOSA-N 1 0 297.321 0.885 10 0 CCAERO CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@@H](C[NH3+])C(F)(F)F ZINC000662988090 414937584 /nfs/dbraw/zinc/93/75/84/414937584.db2.gz OWDOWWPJMVHFFH-FKSUSPILSA-N 1 0 252.236 0.227 10 0 CCAERO O=S1(=O)CCC(CO)([NH2+]Cc2cccs2)CC1 ZINC000042333508 174688625 /nfs/dbraw/zinc/68/86/25/174688625.db2.gz DAVCVOBVICHESP-UHFFFAOYSA-N 1 0 275.395 0.777 10 0 CCAERO C[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)C2)[C@@H]1CCC[NH3+] ZINC000662895097 414872974 /nfs/dbraw/zinc/87/29/74/414872974.db2.gz YMVBLCAPLBHHCA-IJLUTSLNSA-N 1 0 267.373 0.489 10 0 CCAERO COCC(=O)N1CCC([NH2+]C2CCS(=O)CC2)CC1 ZINC000042353465 174692960 /nfs/dbraw/zinc/69/29/60/174692960.db2.gz SBKFDPAGQRDSKI-UHFFFAOYSA-N 1 0 288.413 0.125 10 0 CCAERO COC[C@H](C)N(C)S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000042519754 174770726 /nfs/dbraw/zinc/77/07/26/174770726.db2.gz NSUGOOWRZHKRCI-VIFPVBQESA-N 1 0 292.426 0.905 10 0 CCAERO COC[C@@H](O)CN(C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000042526762 174776889 /nfs/dbraw/zinc/77/68/89/174776889.db2.gz GCNSCEZFEORCNE-LBPRGKRZSA-N 1 0 267.329 0.616 10 0 CCAERO CCOC(=O)CCS(=O)(=O)NC[C@@H]([NH3+])CC(C)C ZINC000042538375 174784809 /nfs/dbraw/zinc/78/48/09/174784809.db2.gz UPYXDOJUWFMHRQ-JTQLQIEISA-N 1 0 280.390 0.232 10 0 CCAERO C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCOC2)C[C@@](C)(C(F)F)O1 ZINC000663005742 414945463 /nfs/dbraw/zinc/94/54/63/414945463.db2.gz QISWDDOKYBEMGB-NRUUGDAUSA-N 1 0 292.326 0.494 10 0 CCAERO COCCN(C(=O)C[C@@H]1CCC[NH2+]1)[C@H](C)COC ZINC000042610154 174823427 /nfs/dbraw/zinc/82/34/27/174823427.db2.gz SPOQILRYOITOFR-NEPJUHHUSA-N 1 0 258.362 0.638 10 0 CCAERO CCS(=O)(=O)C1(C[NH2+]C[C@H](O)C(C)(C)C)CC1 ZINC000663367526 415051093 /nfs/dbraw/zinc/05/10/93/415051093.db2.gz YGADJGHGCXCZNU-JTQLQIEISA-N 1 0 263.403 0.950 10 0 CCAERO [NH3+]Cc1cc2c(cc1OCC(=O)NC1CC1)OCO2 ZINC000042873634 174898143 /nfs/dbraw/zinc/89/81/43/174898143.db2.gz JBHUGTHPYIZSDC-UHFFFAOYSA-N 1 0 264.281 0.531 10 0 CCAERO C[C@H](C[NH3+])C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000044798154 175254981 /nfs/dbraw/zinc/25/49/81/175254981.db2.gz FOXSURLOHWMNRX-SSDOTTSWSA-N 1 0 261.281 0.446 10 0 CCAERO C[C@H](C[NH3+])C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000058040552 175606163 /nfs/dbraw/zinc/60/61/63/175606163.db2.gz QMHSMAJMHBLFRS-SNVBAGLBSA-N 1 0 271.361 0.661 10 0 CCAERO CC(C)c1cc(N(C)CCN2CC[NH2+]CC2)ncn1 ZINC000071150978 176045129 /nfs/dbraw/zinc/04/51/29/176045129.db2.gz BJXITHJXWXOJDP-UHFFFAOYSA-N 1 0 263.389 0.941 10 0 CCAERO CC[C@@H](C)CNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000071221281 176087282 /nfs/dbraw/zinc/08/72/82/176087282.db2.gz UMEYECSNXCVDMV-SNVBAGLBSA-N 1 0 265.361 0.979 10 0 CCAERO COC[C@@H](O)C[NH2+][C@@H]1CCN(CCc2ccccc2)C1 ZINC000071269107 176102557 /nfs/dbraw/zinc/10/25/57/176102557.db2.gz MMGXVZVIAHHHGS-CVEARBPZSA-N 1 0 278.396 0.900 10 0 CCAERO CCC1(C(=O)NCc2nccn2C)CC[NH2+]CC1 ZINC000071276064 176106789 /nfs/dbraw/zinc/10/67/89/176106789.db2.gz BXPZCECPTMFFLT-UHFFFAOYSA-N 1 0 250.346 0.816 10 0 CCAERO C[C@@H]1CCC[NH2+][C@H]1CNS(=O)(=O)N1CCCCC1 ZINC000071339083 176129288 /nfs/dbraw/zinc/12/92/88/176129288.db2.gz PDAXWJGRVYCCNO-NEPJUHHUSA-N 1 0 275.418 0.695 10 0 CCAERO CCC(C)(C)NC(=O)CN1CCC[N@H+](CCO)CC1 ZINC000071350038 176133800 /nfs/dbraw/zinc/13/38/00/176133800.db2.gz SGWSORKAIZCCRT-UHFFFAOYSA-N 1 0 271.405 0.291 10 0 CCAERO NC(=O)[C@H]1CCCC[N@@H+]1CCCn1ccc(N)n1 ZINC000071352264 176135117 /nfs/dbraw/zinc/13/51/17/176135117.db2.gz ITPFHLLLYMKDTM-SNVBAGLBSA-N 1 0 251.334 0.195 10 0 CCAERO CCn1c(C[NH3+])nnc1S[C@H](C)C(=O)NC1CC1 ZINC000071374728 176139515 /nfs/dbraw/zinc/13/95/15/176139515.db2.gz UQFISSAHQAZOBL-SSDOTTSWSA-N 1 0 269.374 0.516 10 0 CCAERO O=C(CCc1cccnc1)NC[C@@]1(O)CCC[NH2+]CC1 ZINC000072151733 176327362 /nfs/dbraw/zinc/32/73/62/176327362.db2.gz LQXZSCGHMORDBZ-OAHLLOKOSA-N 1 0 277.368 0.635 10 0 CCAERO [NH3+]C[C@H](CC(=O)NC[C@@H]1CCCO1)c1ccccn1 ZINC000076678193 177056867 /nfs/dbraw/zinc/05/68/67/177056867.db2.gz HAQVEVKZUYFHRM-RYUDHWBXSA-N 1 0 263.341 0.809 10 0 CCAERO CN(C(=O)C(C)(C)S(C)(=O)=O)[C@H]1CCC[NH2+]CC1 ZINC000226457115 269747116 /nfs/dbraw/zinc/74/71/16/269747116.db2.gz AIKVKEZFDMZHNA-JTQLQIEISA-N 1 0 276.402 0.410 10 0 CCAERO C[C@@H]1CCC[N@H+](CCNC(=O)N2CCNC(=O)CC2)C1 ZINC000105127630 287349949 /nfs/dbraw/zinc/34/99/49/287349949.db2.gz CWKXAINFQPJWBV-GFCCVEGCSA-N 1 0 282.388 0.250 10 0 CCAERO C[NH2+][C@@H]1CCC[C@@H](n2cc(S(C)(=O)=O)cn2)C1 ZINC000725252526 545877613 /nfs/dbraw/zinc/87/76/13/545877613.db2.gz MUBRADVELKYOOU-NXEZZACHSA-N 1 0 257.359 0.990 10 0 CCAERO CS(=O)(=O)c1cnn(Cc2ccnc(C[NH3+])c2)c1 ZINC000725251726 545877219 /nfs/dbraw/zinc/87/72/19/545877219.db2.gz FSGBZPGGESEEJO-UHFFFAOYSA-N 1 0 266.326 0.189 10 0 CCAERO CC[NH2+][C@@H]1CCC[C@H]1n1cc(S(C)(=O)=O)cn1 ZINC000725252954 545878483 /nfs/dbraw/zinc/87/84/83/545878483.db2.gz PYFCXZWIRKPVJT-GHMZBOCLSA-N 1 0 257.359 0.990 10 0 CCAERO O=C1C[C@H]([NH+]2CCC(O)CC2)C[C@H](C(F)(F)F)N1 ZINC000725263254 545883420 /nfs/dbraw/zinc/88/34/20/545883420.db2.gz ZUCMWSVADJNKQM-VXNVDRBHSA-N 1 0 266.263 0.653 10 0 CCAERO CCS(=O)(=O)N[C@@H]1CC[NH2+]CC[C@H]1C(F)(F)F ZINC000725262510 545882452 /nfs/dbraw/zinc/88/24/52/545882452.db2.gz CTQYWJBOTDWADL-HTQZYQBOSA-N 1 0 274.308 0.856 10 0 CCAERO Nc1nc(CNc2ccnn2C2C[NH2+]C2)cs1 ZINC000725260667 545882534 /nfs/dbraw/zinc/88/25/34/545882534.db2.gz XSRXBFKNMJSKEA-UHFFFAOYSA-N 1 0 250.331 0.678 10 0 CCAERO CC[C@@]1([NH3+])CCCN(S(=O)(=O)[C@@H]2CCOC2)C1 ZINC000725264244 545885126 /nfs/dbraw/zinc/88/51/26/545885126.db2.gz RJCTVSXKBMFIPV-GHMZBOCLSA-N 1 0 262.375 0.308 10 0 CCAERO O=S1(=O)CC[C@H]([C@@H](CO)CC[NH2+]C2CCC2)C1 ZINC000725267407 545887128 /nfs/dbraw/zinc/88/71/28/545887128.db2.gz DFOPVTLKIQMXAZ-MNOVXSKESA-N 1 0 261.387 0.562 10 0 CCAERO OCCc1cn([C@H]2CCOC3(CC[NH2+]CC3)C2)nn1 ZINC000725272808 545887754 /nfs/dbraw/zinc/88/77/54/545887754.db2.gz RKFXQSIHFQJFFN-LBPRGKRZSA-N 1 0 266.345 0.287 10 0 CCAERO COC(=O)C1CC[NH+]([C@@H]2CCO[C@]23CCOC3)CC1 ZINC000725269653 545888698 /nfs/dbraw/zinc/88/86/98/545888698.db2.gz WPKCNCOPLAGJNS-OCCSQVGLSA-N 1 0 269.341 0.819 10 0 CCAERO CCC(C)(C)NC(=O)N[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC000725271670 545888745 /nfs/dbraw/zinc/88/87/45/545888745.db2.gz AOPBNCRTSMQOAH-SECBINFHSA-N 1 0 268.361 0.047 10 0 CCAERO OCC[N@H+](Cc1ccccc1)[C@H]1CCOC[C@H]1O ZINC000725272865 545889340 /nfs/dbraw/zinc/88/93/40/545889340.db2.gz NQLHNPGFZRXCPB-UONOGXRCSA-N 1 0 251.326 0.631 10 0 CCAERO COC[C@H](O)C[NH2+][C@H]1CCS(=O)(=O)c2ccccc21 ZINC000071269451 544451443 /nfs/dbraw/zinc/45/14/43/544451443.db2.gz JKLWOMYRBYXRSO-PWSUYJOCSA-N 1 0 285.365 0.502 10 0 CCAERO CC(C)(CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])N1CCOCC1 ZINC000089459351 544514194 /nfs/dbraw/zinc/51/41/94/544514194.db2.gz SEWYUGAJVZZPAA-CHWSQXEVSA-N 1 0 283.416 0.588 10 0 CCAERO CCC(=O)N1CCCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089458387 544514240 /nfs/dbraw/zinc/51/42/40/544514240.db2.gz JKWZWKDXBMQMOW-QWHCGFSZSA-N 1 0 281.400 0.832 10 0 CCAERO [NH3+]CCn1cc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)nn1 ZINC000089699641 544515506 /nfs/dbraw/zinc/51/55/06/544515506.db2.gz KJAOJRKJJLTKLB-VXGBXAGGSA-N 1 0 279.344 0.020 10 0 CCAERO CN(CC1([NH+](C)C)CCC1)C(=O)[C@H]1CNC(=O)C1 ZINC000097935623 544552777 /nfs/dbraw/zinc/55/27/77/544552777.db2.gz GGBGVKKNBRWUKU-SNVBAGLBSA-N 1 0 253.346 0.065 10 0 CCAERO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCC(=O)N1CCCC1 ZINC000115791853 544564570 /nfs/dbraw/zinc/56/45/70/544564570.db2.gz STDQUNQIOBRKGB-ZDUSSCGKSA-N 1 0 296.415 0.592 10 0 CCAERO C[NH2+]CCOCCNc1nc(OC)cc(OC)n1 ZINC000630531313 419462681 /nfs/dbraw/zinc/46/26/81/419462681.db2.gz VSTOGMPNFUCCHK-UHFFFAOYSA-N 1 0 256.306 0.142 10 0 CCAERO CC[C@@H](O)CC[NH2+]C[C@@H](O)COCc1ccco1 ZINC000135051869 544634126 /nfs/dbraw/zinc/63/41/26/544634126.db2.gz MASQYXGZROSICV-VXGBXAGGSA-N 1 0 257.330 0.908 10 0 CCAERO O=C1CNC(=O)N1CC[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152183653 544656409 /nfs/dbraw/zinc/65/64/09/544656409.db2.gz WZBWAEHJLBLONC-LBPRGKRZSA-N 1 0 290.323 0.087 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H](C)CN1CCCC1=O ZINC000136371268 544638908 /nfs/dbraw/zinc/63/89/08/544638908.db2.gz PMOHKRYVPKWUCF-GHMZBOCLSA-N 1 0 255.362 0.487 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)NCc1cccc(S(N)(=O)=O)c1 ZINC000136364295 544639374 /nfs/dbraw/zinc/63/93/74/544639374.db2.gz RVJWRYABGOHQBI-GFCCVEGCSA-N 1 0 299.396 0.324 10 0 CCAERO CCN1CCO[C@H](CN[C@@H](C)c2nccn2C)C1 ZINC000165245994 544721175 /nfs/dbraw/zinc/72/11/75/544721175.db2.gz BBDGBNZRHBPGGG-NWDGAFQWSA-N 1 0 252.362 0.791 10 0 CCAERO COCCN1CCN(C(=O)c2ccc(C[NH3+])o2)C[C@H]1C ZINC000168024648 544728602 /nfs/dbraw/zinc/72/86/02/544728602.db2.gz NHCVJYFLZNJSMW-LLVKDONJSA-N 1 0 281.356 0.531 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1cc[nH]n1 ZINC000177014391 544740845 /nfs/dbraw/zinc/74/08/45/544740845.db2.gz QPQIFVOJEMYSKC-LBPRGKRZSA-N 1 0 250.346 0.895 10 0 CCAERO CC[C@H](O)C[NH+]1CCN(c2ncnc3onc(C)c32)CC1 ZINC000192457958 544801169 /nfs/dbraw/zinc/80/11/69/544801169.db2.gz RPYRNYXIUCDKFS-NSHDSACASA-N 1 0 291.355 0.819 10 0 CCAERO O=C1C[C@H]([N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)C(=O)N1 ZINC000220381392 544815774 /nfs/dbraw/zinc/81/57/74/544815774.db2.gz CNDUKBXRKHIHIN-NRUUGDAUSA-N 1 0 252.314 0.029 10 0 CCAERO O=C(N1CC[N@@H+]2CCC[C@@H]2C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000223762939 544826366 /nfs/dbraw/zinc/82/63/66/544826366.db2.gz XJRVFXDGUXRCDT-ZYHUDNBSSA-N 1 0 291.317 0.835 10 0 CCAERO CC(=O)N[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000228252058 544842301 /nfs/dbraw/zinc/84/23/01/544842301.db2.gz YMWQAWZUSMTTPL-UTUOFQBUSA-N 1 0 253.346 0.098 10 0 CCAERO CNC(=O)C(C)(C)CNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000230398168 544854493 /nfs/dbraw/zinc/85/44/93/544854493.db2.gz NBKRXRCDZQKHOP-VHSXEESVSA-N 1 0 255.362 0.263 10 0 CCAERO C[C@@H]1CCNC(=O)[C@@H]1NC(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 ZINC000408424702 287614824 /nfs/dbraw/zinc/61/48/24/287614824.db2.gz GXBUBQKGTUSHML-WRWGMCAJSA-N 1 0 282.388 0.293 10 0 CCAERO CS(=O)(=O)c1ccccc1NC[C@@H]1COCC[NH2+]1 ZINC000235057524 544874420 /nfs/dbraw/zinc/87/44/20/544874420.db2.gz PHEUAVCHABQFTN-SNVBAGLBSA-N 1 0 270.354 0.490 10 0 CCAERO C[NH+]1CCN(CCCNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000250366053 544921716 /nfs/dbraw/zinc/92/17/16/544921716.db2.gz GANIGIPEWGZDDU-BTTYYORXSA-N 1 0 265.401 0.786 10 0 CCAERO CNC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000250400861 544922967 /nfs/dbraw/zinc/92/29/67/544922967.db2.gz SKBPUHYHUVSVEI-TUAOUCFPSA-N 1 0 267.373 0.489 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000250634163 544924301 /nfs/dbraw/zinc/92/43/01/544924301.db2.gz FCBQKTZDEQLQJC-DCAQKATOSA-N 1 0 274.386 0.055 10 0 CCAERO O=C1C[C@H]([N@H+]2CC[C@]3(O)CCCC[C@H]3C2)C(=O)N1 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BUUPUPFXDDOAQB-STQMWFEESA-N 1 0 281.400 0.893 10 0 CCAERO CC1(C)CN(C(=O)N[C@H]2CCCC[NH2+]C2)CC[C@@H]1O ZINC000333758121 278307066 /nfs/dbraw/zinc/30/70/66/278307066.db2.gz ACIMOCMYACJAHL-RYUDHWBXSA-N 1 0 269.389 0.931 10 0 CCAERO CC1(C)CN([C@H]2CCN(C3CC3)C2=O)CC[C@@H]1[NH3+] ZINC000261698949 278341152 /nfs/dbraw/zinc/34/11/52/278341152.db2.gz HZMMQUHLUKWZBD-RYUDHWBXSA-N 1 0 251.374 0.809 10 0 CCAERO CC1(C)CN([C@H]2CCN(C3CCOCC3)C2=O)CC[C@@H]1[NH3+] ZINC000261638869 278341201 /nfs/dbraw/zinc/34/12/01/278341201.db2.gz DJNLMHAWCBBXNN-KBPBESRZSA-N 1 0 295.427 0.826 10 0 CCAERO C[C@@H]([NH2+]CCn1cncn1)c1ccc(S(N)(=O)=O)cc1 ZINC000359319893 278349331 /nfs/dbraw/zinc/34/93/31/278349331.db2.gz JFXUTWWWVDRVRB-SNVBAGLBSA-N 1 0 295.368 0.276 10 0 CCAERO CC(C)CNC(=O)CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000105927218 278907691 /nfs/dbraw/zinc/90/76/91/278907691.db2.gz JNCUYWPKGLQXBN-LBPRGKRZSA-N 1 0 257.378 0.021 10 0 CCAERO C[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000333120775 279027708 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AMGKQECXDVZWRS-GXTWGEPZSA-N 1 0 291.399 0.841 10 0 CCAERO Cc1nn(C)c(C)c1CN(C)C[C@H]1C[NH2+]CCO1 ZINC000125447171 646536231 /nfs/dbraw/zinc/53/62/31/646536231.db2.gz VDWDIWVPEPAEGQ-GFCCVEGCSA-N 1 0 252.362 0.457 10 0 CCAERO O=c1c2ccc[nH]c-2cn1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000190260939 649440775 /nfs/dbraw/zinc/44/07/75/649440775.db2.gz SBBRRCHKLOLFSO-GFCCVEGCSA-N 1 0 272.352 0.775 10 0 CCAERO COCCCNC(=O)CN(C)C(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089392805 649656167 /nfs/dbraw/zinc/65/61/67/649656167.db2.gz DGVPGLMNZKECIQ-OLZOCXBDSA-N 1 0 299.415 0.363 10 0 CCAERO CC(C)NC(=O)CN(C)C(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089390975 649656183 /nfs/dbraw/zinc/65/61/83/649656183.db2.gz MTVLIDSQRXIKIM-NWDGAFQWSA-N 1 0 269.389 0.735 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cn1nc(CO)n(C)c1=S ZINC000246713436 649686045 /nfs/dbraw/zinc/68/60/45/649686045.db2.gz WZNBLQFEFLKTOE-MNOVXSKESA-N 1 0 297.428 0.569 10 0 CCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C[C@@H]2COC(=O)C2)C1 ZINC000247098236 649702258 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202194679 /nfs/dbraw/zinc/19/46/79/202194679.db2.gz UZIVQNDLKSRHFC-LLVKDONJSA-N 1 0 278.356 0.823 10 0 CCAERO Cn1ncnc1[C@H]1COCCN1CCC[NH+]1CCCC1 ZINC000375295426 357406828 /nfs/dbraw/zinc/40/68/28/357406828.db2.gz HUAABTMIQAEBNF-CYBMUJFWSA-N 1 0 279.388 0.674 10 0 CCAERO Cn1nnnc1N1CCC([NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000377114911 357538948 /nfs/dbraw/zinc/53/89/48/357538948.db2.gz NXBIIDLMGXRRSJ-UHTWSYAYSA-N 1 0 276.388 0.957 10 0 CCAERO Cc1ccc(O)c(C[NH2+][C@@H]2CCCN(CCO)C2)n1 ZINC000384639402 357721400 /nfs/dbraw/zinc/72/14/00/357721400.db2.gz XAVCNGAFZMTFHA-GFCCVEGCSA-N 1 0 265.357 0.642 10 0 CCAERO NC(=O)CC[C@@H]([NH3+])C(=O)N1CCC2(C1)CCCCC2 ZINC000193271198 283286036 /nfs/dbraw/zinc/28/60/36/283286036.db2.gz FFVOLOIFMFZMEB-LLVKDONJSA-N 1 0 267.373 0.762 10 0 CCAERO O=C([C@@H]1CC=CCC1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404022562 357813364 /nfs/dbraw/zinc/81/33/64/357813364.db2.gz UGHNGLZAABTLTK-JHJVBQTASA-N 1 0 250.342 0.932 10 0 CCAERO COCC1(CC(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)CC1 ZINC000404223642 357818927 /nfs/dbraw/zinc/81/89/27/357818927.db2.gz MJMFWVUOICQPDF-NWDGAFQWSA-N 1 0 268.357 0.392 10 0 CCAERO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000399220139 357782058 /nfs/dbraw/zinc/78/20/58/357782058.db2.gz INRJUUFQMZBLNK-ONGXEEELSA-N 1 0 268.317 0.945 10 0 CCAERO Cc1nc(C)n(C[C@H]2C[N@H+](CC3(O)CCC3)CCO2)n1 ZINC000407951143 357835185 /nfs/dbraw/zinc/83/51/85/357835185.db2.gz JCDKGHZFNBUKBE-CYBMUJFWSA-N 1 0 280.372 0.511 10 0 CCAERO Cc1noc(CN2CC[NH+](CC3(O)CCCC3)CC2)n1 ZINC000407951484 357836197 /nfs/dbraw/zinc/83/61/97/357836197.db2.gz OJEFJZVVZYSYAQ-UHFFFAOYSA-N 1 0 280.372 0.801 10 0 CCAERO O[C@@H](C[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O)C(F)(F)F ZINC000407966881 357843254 /nfs/dbraw/zinc/84/32/54/357843254.db2.gz ZXAQAIFJTUIZRK-DBIOUOCHSA-N 1 0 283.290 0.771 10 0 CCAERO C[C@@H]1CN(CC(=O)NC(=O)NC(C)(C)C)C[C@@H]1[NH+](C)C ZINC000408022864 357871881 /nfs/dbraw/zinc/87/18/81/357871881.db2.gz ORUAGXGIQKPIMS-MNOVXSKESA-N 1 0 284.404 0.493 10 0 CCAERO CCC1(O)CCN(C(=O)[C@@H]2C[C@H](OC)C[N@@H+]2C)CC1 ZINC000408038378 357880576 /nfs/dbraw/zinc/88/05/76/357880576.db2.gz LFYAALZSRXRLAV-RYUDHWBXSA-N 1 0 270.373 0.469 10 0 CCAERO CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2CO)N(C)C1 ZINC000408046780 357886130 /nfs/dbraw/zinc/88/61/30/357886130.db2.gz XYUOURKALXVZQT-RVMXOQNASA-N 1 0 270.373 0.373 10 0 CCAERO C[C@H](C(=O)NC1CCCCC1)[N@@H+]1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000408048184 357888431 /nfs/dbraw/zinc/88/84/31/357888431.db2.gz LRDFIANRLPWPHP-NQBHXWOUSA-N 1 0 281.400 0.877 10 0 CCAERO CCn1cc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)nc1C ZINC000408061420 357895774 /nfs/dbraw/zinc/89/57/74/357895774.db2.gz WEVRNEBISFXCSR-GFCCVEGCSA-N 1 0 298.412 0.680 10 0 CCAERO CC(C)n1nnnc1CN1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000408067920 357899446 /nfs/dbraw/zinc/89/94/46/357899446.db2.gz FWRDEHZLDUUTPC-QWRGUYRKSA-N 1 0 252.366 0.778 10 0 CCAERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCNC1=O ZINC000408128393 357929334 /nfs/dbraw/zinc/92/93/34/357929334.db2.gz JKCFDRZNYPRUSA-GHMZBOCLSA-N 1 0 253.346 0.256 10 0 CCAERO CN(C)c1cnc(C(=O)N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000408154123 357943620 /nfs/dbraw/zinc/94/36/20/357943620.db2.gz NLZOYEJGNWLOOY-JTQLQIEISA-N 1 0 263.345 0.319 10 0 CCAERO C[C@@H]1C[C@@H](C(=O)N(C)CC2CC[NH+](C)CC2)CC(=O)N1 ZINC000408200593 357966462 /nfs/dbraw/zinc/96/64/62/357966462.db2.gz BCQLECKBLBOQNW-DGCLKSJQSA-N 1 0 281.400 0.701 10 0 CCAERO CC[C@@H]1C[C@H](C(=O)NCC2CC[NH+](C)CC2)CC(=O)N1 ZINC000408201597 357967149 /nfs/dbraw/zinc/96/71/49/357967149.db2.gz FURGXLBWLONNBX-QWHCGFSZSA-N 1 0 281.400 0.749 10 0 CCAERO C[NH+](C)[C@@H]1CCN(S(=O)(=O)NC2CCCC2)C1 ZINC000408203291 357968396 /nfs/dbraw/zinc/96/83/96/357968396.db2.gz CJWRVFHTKOLMPW-LLVKDONJSA-N 1 0 261.391 0.399 10 0 CCAERO Cc1nc(CNC(=O)N2CC[C@H]([NH+](C)C)C2)no1 ZINC000408232917 357984556 /nfs/dbraw/zinc/98/45/56/357984556.db2.gz QYNIYAOHIHVVNZ-VIFPVBQESA-N 1 0 253.306 0.224 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[C@@H]2O)C1 ZINC000408251994 357993303 /nfs/dbraw/zinc/99/33/03/357993303.db2.gz KPDQGQJJZSAIFC-AVGNSLFASA-N 1 0 269.389 0.931 10 0 CCAERO CCC[NH+]1CCC(NC(=O)N2CC(NC(C)=O)C2)CC1 ZINC000408260179 357997268 /nfs/dbraw/zinc/99/72/68/357997268.db2.gz SXZSQVDSLWVLAO-UHFFFAOYSA-N 1 0 282.388 0.391 10 0 CCAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ncc[nH]c3=O)C2)CCO1 ZINC000408395761 358071108 /nfs/dbraw/zinc/07/11/08/358071108.db2.gz NNBWNFSBYSKVBC-JHJVBQTASA-N 1 0 292.383 0.896 10 0 CCAERO Cc1cnc([C@H](C)[N@@H+]2CCC[C@](O)(C(N)=O)C2)cn1 ZINC000408379535 358062926 /nfs/dbraw/zinc/06/29/26/358062926.db2.gz LRUBKCOLCBQYGP-GXFFZTMASA-N 1 0 264.329 0.158 10 0 CCAERO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000408414010 358081214 /nfs/dbraw/zinc/08/12/14/358081214.db2.gz DSWFYBRNFKELSL-CHWSQXEVSA-N 1 0 290.429 0.815 10 0 CCAERO C[NH+](C)CC1CCC(NC(=O)N[C@@H]2CCCNC2=O)CC1 ZINC000408427099 358087862 /nfs/dbraw/zinc/08/78/62/358087862.db2.gz ZFJSWIJGSLTXRL-WXRRBKDZSA-N 1 0 296.415 0.685 10 0 CCAERO CCOC[C@@]1(C(F)(F)F)CCN(C(=O)C[NH3+])C1 ZINC000409425933 358112226 /nfs/dbraw/zinc/11/22/26/358112226.db2.gz BHIKBEGAXSBKDW-SECBINFHSA-N 1 0 254.252 0.763 10 0 CCAERO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000408465903 358108381 /nfs/dbraw/zinc/10/83/81/358108381.db2.gz JVHANYNAHDAPKG-RYUDHWBXSA-N 1 0 290.429 0.742 10 0 CCAERO CCOC[C@@H]1CN(C(=O)C[NH3+])C[C@@H]1C(F)(F)F ZINC000409435792 358113291 /nfs/dbraw/zinc/11/32/91/358113291.db2.gz WOILCNDJMIUUGX-YUMQZZPRSA-N 1 0 254.252 0.619 10 0 CCAERO Cc1noc([C@H]2COCCN2C(=O)[C@@H]2CCCN2C)n1 ZINC000329192454 202225710 /nfs/dbraw/zinc/22/57/10/202225710.db2.gz QWDDAEUBGLFFIT-WDEREUQCSA-N 1 0 280.328 0.372 10 0 CCAERO CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000408190501 283347505 /nfs/dbraw/zinc/34/75/05/283347505.db2.gz ZKRGYMMOMTZDHX-JTQLQIEISA-N 1 0 297.277 0.221 10 0 CCAERO CC(C)(C)[C@@H](O)C[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000567710327 358575689 /nfs/dbraw/zinc/57/56/89/358575689.db2.gz JFEKJKWPVBNVAR-MNOVXSKESA-N 1 0 263.403 0.950 10 0 CCAERO Cc1ccc(S(=O)(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)s1 ZINC000567876248 358604233 /nfs/dbraw/zinc/60/42/33/358604233.db2.gz QFNSJYXXEXIMJD-VHSXEESVSA-N 1 0 288.394 0.418 10 0 CCAERO [NH3+][C@@H]1CC[C@H](C(=O)NCc2n[nH]cc2Br)C1 ZINC000567802224 358588557 /nfs/dbraw/zinc/58/85/57/358588557.db2.gz LPNBWYJLDVNDIY-NKWVEPMBSA-N 1 0 287.161 0.916 10 0 CCAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCc2n[nH]cc2Br)C1 ZINC000567802225 358588666 /nfs/dbraw/zinc/58/86/66/358588666.db2.gz LPNBWYJLDVNDIY-RNFRBKRXSA-N 1 0 287.161 0.916 10 0 CCAERO O=C(NCC[N@H+]1CC=CCC1)[C@@H]1CC(F)(F)CN1 ZINC000569602932 358778532 /nfs/dbraw/zinc/77/85/32/358778532.db2.gz SHCYDKMKZPXGQZ-JTQLQIEISA-N 1 0 259.300 0.362 10 0 CCAERO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC(F)(F)CN2)C1 ZINC000571044241 358905618 /nfs/dbraw/zinc/90/56/18/358905618.db2.gz SBJQSCHWRVZYCE-GHMZBOCLSA-N 1 0 275.343 0.830 10 0 CCAERO CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCOC2)C1 ZINC000591634787 359620280 /nfs/dbraw/zinc/62/02/80/359620280.db2.gz ZFXIIYYNRGTNPK-NWDGAFQWSA-N 1 0 284.356 0.024 10 0 CCAERO C[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1CC[NH+]2CCC1CC2 ZINC000335933810 212721208 /nfs/dbraw/zinc/72/12/08/212721208.db2.gz ICOMXVQSFIYPER-JQWIXIFHSA-N 1 0 280.372 0.143 10 0 CCAERO O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)NCc1cccnc1 ZINC000177765071 189068121 /nfs/dbraw/zinc/06/81/21/189068121.db2.gz BRVNNIJZHDNHBP-OAHLLOKOSA-N 1 0 288.395 0.868 10 0 CCAERO COC(=O)[C@@H](C)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000174878521 291234187 /nfs/dbraw/zinc/23/41/87/291234187.db2.gz XRJPBHLTWUIKHI-KGLIPLIRSA-N 1 0 283.416 0.650 10 0 CCAERO [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCC[C@H]2Cn2ccnn2)C1 ZINC000333679431 283571771 /nfs/dbraw/zinc/57/17/71/283571771.db2.gz OOEHVSCBKZZFSJ-UPJWGTAASA-N 1 0 292.387 0.722 10 0 CCAERO Cc1ncc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c(C)n1 ZINC000180421195 189253939 /nfs/dbraw/zinc/25/39/39/189253939.db2.gz AHAPOIYANSFEKO-LBPRGKRZSA-N 1 0 278.356 0.496 10 0 CCAERO O=C1NC[C@@H](C[N@@H+]2CCC[C@H](C3OCCO3)C2)O1 ZINC000495785805 239346148 /nfs/dbraw/zinc/34/61/48/239346148.db2.gz KCNKEKMYHQCHJB-UWVGGRQHSA-N 1 0 256.302 0.180 10 0 CCAERO CC(C)S(=O)(=O)CCCN1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839864 370705820 /nfs/dbraw/zinc/70/58/20/370705820.db2.gz LWMPYZVLHLXBSO-NEPJUHHUSA-N 1 0 262.419 0.726 10 0 CCAERO C[C@@H](NC(=O)N1CC[NH+](CC(C)(C)O)CC1)[C@H]1CCCO1 ZINC000151386186 296064954 /nfs/dbraw/zinc/06/49/54/296064954.db2.gz HIQGZAQWPSAIRO-CHWSQXEVSA-N 1 0 299.415 0.652 10 0 CCAERO C[N@@H+]1CCCC12CCN(C(=O)[C@H]1CNC(=O)C1)CC2 ZINC000335645487 212362902 /nfs/dbraw/zinc/36/29/02/212362902.db2.gz DYKMRBNQFFDTCB-LLVKDONJSA-N 1 0 265.357 0.209 10 0 CCAERO CCCN(CC[NH+](C)C)C(=O)[C@H]1CC(F)(F)CN1 ZINC000565037879 291338693 /nfs/dbraw/zinc/33/86/93/291338693.db2.gz ILKQVVBLCFZNLP-SNVBAGLBSA-N 1 0 263.332 0.784 10 0 CCAERO C[C@H]1CN(S(=O)(=O)c2ccsc2)C[C@@H]1C[NH3+] ZINC000631965844 370793089 /nfs/dbraw/zinc/79/30/89/370793089.db2.gz ISABXOXHPBONPU-IUCAKERBSA-N 1 0 260.384 0.963 10 0 CCAERO C[C@H]1CN(S(=O)(=O)N2CCC(C)CC2)C[C@@H]1C[NH3+] ZINC000631968545 370796725 /nfs/dbraw/zinc/79/67/25/370796725.db2.gz VOFAPBZVYXMITI-RYUDHWBXSA-N 1 0 275.418 0.490 10 0 CCAERO OCCc1ccccc1[C@H]1COCC[N@@H+](CCO)C1 ZINC000616661638 365414381 /nfs/dbraw/zinc/41/43/81/365414381.db2.gz VUDBWWNKEBPREE-CQSZACIVSA-N 1 0 265.353 0.630 10 0 CCAERO NC(=O)c1cccc([C@@H]2CCN(CC[NH3+])CCO2)c1 ZINC000616665728 365418895 /nfs/dbraw/zinc/41/88/95/365418895.db2.gz VMTMWKCOICFYTQ-ZDUSSCGKSA-N 1 0 263.341 0.508 10 0 CCAERO NS(=O)(=O)N1c2ccccc2CC[C@H]1CC[NH3+] ZINC000616670549 365419598 /nfs/dbraw/zinc/41/95/98/365419598.db2.gz VLUBMIIDYBOQQB-JTQLQIEISA-N 1 0 255.343 0.360 10 0 CCAERO COC(=O)N1CC[NH2+][C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000616632102 365391116 /nfs/dbraw/zinc/39/11/16/365391116.db2.gz MSURYPHIUCSJBF-SNVBAGLBSA-N 1 0 287.360 0.941 10 0 CCAERO CC(=O)Nc1cccc([C@H]2CN(CCO)CC[NH2+]2)c1 ZINC000616632387 365392010 /nfs/dbraw/zinc/39/20/10/365392010.db2.gz PCSSXUFMLIVTCV-CQSZACIVSA-N 1 0 263.341 0.584 10 0 CCAERO CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@@H]1c1cnno1 ZINC000616636902 365397427 /nfs/dbraw/zinc/39/74/27/365397427.db2.gz QXAHOKPOOHFPKE-SNVBAGLBSA-N 1 0 297.359 0.541 10 0 CCAERO COC(=O)N1CC[NH2+]C[C@H]1c1ccc(CCO)cc1 ZINC000616636591 365397653 /nfs/dbraw/zinc/39/76/53/365397653.db2.gz VMVGGAMJHVKVDK-ZDUSSCGKSA-N 1 0 264.325 0.934 10 0 CCAERO [NH3+]CCN1CCOC[C@@H]1c1cccc2ccnnc21 ZINC000616640368 365400450 /nfs/dbraw/zinc/40/04/50/365400450.db2.gz WZHWPGSGFUXUTB-CYBMUJFWSA-N 1 0 258.325 0.962 10 0 CCAERO [NH3+]CCN1CCO[C@H](S(=O)(=O)c2ccccc2)CC1 ZINC000616595266 365377494 /nfs/dbraw/zinc/37/74/94/365377494.db2.gz UOXRNHUOQUAAFO-CYBMUJFWSA-N 1 0 284.381 0.467 10 0 CCAERO [NH3+]CCN1CCOCC[C@@H]1c1ccccc1CO ZINC000616598338 365379775 /nfs/dbraw/zinc/37/97/75/365379775.db2.gz KXWDSJJISDCHDZ-CQSZACIVSA-N 1 0 250.342 0.901 10 0 CCAERO O[C@H](C[NH2+]CCC1CC(O)C1)COCc1ccco1 ZINC000566231974 291380669 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CO[C@@H]1CN(C(=O)c2cc(C)on2)[C@@](C)(C[NH3+])C1 ZINC000630358385 370060992 /nfs/dbraw/zinc/06/09/92/370060992.db2.gz ICDKOJCVCXQLSP-JOYOIKCWSA-N 1 0 253.302 0.561 10 0 CCAERO CO[C@@H]1CN(CC(=O)N(C)C2CC2)[C@](C)(C[NH3+])C1 ZINC000630360566 370063157 /nfs/dbraw/zinc/06/31/57/370063157.db2.gz QFAGOKPSOZULIQ-AAEUAGOBSA-N 1 0 255.362 0.045 10 0 CCAERO CO[C@@H]1CN(C(=O)C2CCOCC2)[C@@](C)(C[NH3+])C1 ZINC000630362381 370064668 /nfs/dbraw/zinc/06/46/68/370064668.db2.gz LHTXIQXNZUDBEH-WCQYABFASA-N 1 0 256.346 0.378 10 0 CCAERO CO[C@@H]1CN(C(=O)c2ccc(C)n2C)[C@@](C)(C[NH3+])C1 ZINC000630364501 370065630 /nfs/dbraw/zinc/06/56/30/370065630.db2.gz GJSYWWKWIKVCIG-SMDDNHRTSA-N 1 0 265.357 0.912 10 0 CCAERO CO[C@@H]1CN(S(=O)(=O)CCC2CC2)[C@@](C)(C[NH3+])C1 ZINC000630368657 370070387 /nfs/dbraw/zinc/07/03/87/370070387.db2.gz SNTVBIMDVVZJDE-NWDGAFQWSA-N 1 0 276.402 0.554 10 0 CCAERO CO[C@@H]1CN(C(=O)CCc2ccccn2)[C@@](C)(C[NH3+])C1 ZINC000630370919 370071986 /nfs/dbraw/zinc/07/19/86/370071986.db2.gz IACGGPMNMGIMPR-DZGCQCFKSA-N 1 0 277.368 0.979 10 0 CCAERO CO[C@H]1CN(C(=O)c2c[nH]nc2C)[C@@](C)(C[NH3+])C1 ZINC000630370612 370072431 /nfs/dbraw/zinc/07/24/31/370072431.db2.gz ZYRQXMJYMNEJBD-BXKDBHETSA-N 1 0 252.318 0.296 10 0 CCAERO CO[C@@H]1CN(C(=O)[C@@H]2CCCCO2)[C@@](C)(C[NH3+])C1 ZINC000630372857 370073993 /nfs/dbraw/zinc/07/39/93/370073993.db2.gz HXAGQFNPJMIYHK-GMXVVIOVSA-N 1 0 256.346 0.520 10 0 CCAERO CO[C@H]1CN(C(=O)c2ccccc2O)[C@@](C)(C[NH3+])C1 ZINC000630374450 370076500 /nfs/dbraw/zinc/07/65/00/370076500.db2.gz NFNXHQDLLFPKSB-QMTHXVAHSA-N 1 0 264.325 0.971 10 0 CCAERO CO[C@@H]1CN(C(=O)c2nocc2C)[C@](C)(C[NH3+])C1 ZINC000630376169 370078242 /nfs/dbraw/zinc/07/82/42/370078242.db2.gz VNNDXAYJMLBQRA-CABZTGNLSA-N 1 0 253.302 0.561 10 0 CCAERO COc1ncccc1C(=O)N1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630376670 370079406 /nfs/dbraw/zinc/07/94/06/370079406.db2.gz FXNJEOOQOZBTQQ-QMTHXVAHSA-N 1 0 279.340 0.669 10 0 CCAERO C[NH2+]CCOCCN(C)c1cc(OC(C)C)ncn1 ZINC000630528450 370148753 /nfs/dbraw/zinc/14/87/53/370148753.db2.gz IXJHAPIRDAWFSE-UHFFFAOYSA-N 1 0 268.361 0.936 10 0 CCAERO C[C@H]1CN(c2ccc(C(=O)N(C)C)cn2)C[C@H]1C[NH3+] ZINC000630553876 370165268 /nfs/dbraw/zinc/16/52/68/370165268.db2.gz MFPWUSHRUXBFBH-CMPLNLGQSA-N 1 0 262.357 0.814 10 0 CCAERO C[C@H]1CN(c2ccc(C(=O)N(C)C)cn2)C[C@@H]1C[NH3+] ZINC000630553878 370165521 /nfs/dbraw/zinc/16/55/21/370165521.db2.gz MFPWUSHRUXBFBH-JQWIXIFHSA-N 1 0 262.357 0.814 10 0 CCAERO CC(C)n1ncnc1CN(C)CC[N@H+](C)CCO ZINC000631180273 370413951 /nfs/dbraw/zinc/41/39/51/370413951.db2.gz PMPSJXLVPUEBNK-UHFFFAOYSA-N 1 0 255.366 0.215 10 0 CCAERO CC(C)NC(=O)CN(C)C(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634736454 372179475 /nfs/dbraw/zinc/17/94/75/372179475.db2.gz NHJUHNKEOXLKGC-FZMZJTMJSA-N 1 0 267.373 0.359 10 0 CCAERO C[C@@H]1C[NH2+]CCN1C(=O)NCC(=O)N(C)C1CCCCC1 ZINC000333155565 205076773 /nfs/dbraw/zinc/07/67/73/205076773.db2.gz FPXBJKSRSOIVAA-GFCCVEGCSA-N 1 0 296.415 0.781 10 0 CCAERO CC(C)Cn1cc(NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)cn1 ZINC000333208638 205117809 /nfs/dbraw/zinc/11/78/09/205117809.db2.gz ZHBURXPIBIBRNS-RYUDHWBXSA-N 1 0 281.360 0.336 10 0 CCAERO C[C@H](NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)[C@H]1CCCO1 ZINC000333221421 205129922 /nfs/dbraw/zinc/12/99/22/205129922.db2.gz ABWIQPWWNXVCTL-DMDPSCGWSA-N 1 0 293.371 0.500 10 0 CCAERO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1cncnc1 ZINC000333258757 205161655 /nfs/dbraw/zinc/16/16/55/205161655.db2.gz DOUBXWXTRVCYLL-WPRPVWTQSA-N 1 0 265.317 0.711 10 0 CCAERO C[C@@H]1OCC[C@H]1NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000333332995 205227240 /nfs/dbraw/zinc/22/72/40/205227240.db2.gz ROKWPSOGVQBGQY-QWHCGFSZSA-N 1 0 298.431 0.489 10 0 CCAERO O=C(CC[N@@H+]1CCC[C@H](c2nnc[nH]2)C1)N1CCOCC1 ZINC000333345621 205237751 /nfs/dbraw/zinc/23/77/51/205237751.db2.gz UQMJQPJVHMZCNE-LBPRGKRZSA-N 1 0 293.371 0.233 10 0 CCAERO COc1cnc(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000333352458 205242977 /nfs/dbraw/zinc/24/29/77/205242977.db2.gz RPKJIWIYKPRJNK-GMTAPVOTSA-N 1 0 291.355 0.995 10 0 CCAERO COc1cnc(NC(=O)N[C@H]2CCC[NH2+][C@@H]2C)nc1 ZINC000333357886 205249787 /nfs/dbraw/zinc/24/97/87/205249787.db2.gz SHLSNWIKEDENRR-SCZZXKLOSA-N 1 0 265.317 0.747 10 0 CCAERO C[C@H]1C[NH2+]CCN1C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000333359889 205252592 /nfs/dbraw/zinc/25/25/92/205252592.db2.gz KXANJQPJVDRQMG-STQMWFEESA-N 1 0 289.383 0.664 10 0 CCAERO C[C@H]([C@H](C)NC(=O)N[C@@H]1CCCC[NH2+]C1)N1CCOCC1 ZINC000333430899 205313397 /nfs/dbraw/zinc/31/33/97/205313397.db2.gz UNPFEBMOBJIAKF-BFHYXJOUSA-N 1 0 298.431 0.537 10 0 CCAERO Cn1ncc2c1nccc2NC[C@H]1C[NH2+]CCCO1 ZINC000333481172 205358161 /nfs/dbraw/zinc/35/81/61/205358161.db2.gz CCXDZIQYDQGXSG-SNVBAGLBSA-N 1 0 261.329 0.759 10 0 CCAERO O=C(N[C@@H]1CCC[NH2+]C1)N1CC[C@H](Oc2ccccn2)C1 ZINC000333488962 205368854 /nfs/dbraw/zinc/36/88/54/205368854.db2.gz DBFMXYQRZSRQSZ-OLZOCXBDSA-N 1 0 290.367 0.996 10 0 CCAERO CC1(C)CN(C(=O)N[C@@H]2CCO[C@H]2C2CC2)CC[NH2+]1 ZINC000333494623 205372694 /nfs/dbraw/zinc/37/26/94/205372694.db2.gz CSCYZOSTBPPMNI-NEPJUHHUSA-N 1 0 267.373 0.947 10 0 CCAERO C[C@@H]1CN(C(=O)NC[C@H]2CC[NH2+]C2)C[C@H](C2CC2)O1 ZINC000333499507 205377878 /nfs/dbraw/zinc/37/78/78/205377878.db2.gz FGTMVFILZIAMAH-NTZNESFSSA-N 1 0 267.373 0.805 10 0 CCAERO C[C@@H]1CC(CNC(=O)NC[C@@H]2C[NH2+]CCO2)C[C@@H](C)O1 ZINC000333512084 205391425 /nfs/dbraw/zinc/39/14/25/205391425.db2.gz FOZAIQXZIAXPEF-WZRBSPASSA-N 1 0 285.388 0.478 10 0 CCAERO [NH3+]C[C@]1(C(=O)NCC[C@@H]2CCCO2)CCCOC1 ZINC000637902991 374462200 /nfs/dbraw/zinc/46/22/00/374462200.db2.gz NNYYTAXQWRAPTH-WCQYABFASA-N 1 0 256.346 0.427 10 0 CCAERO CC(=O)N[C@@H]1CCCN(C(=O)[C@H]([NH3+])CCC(C)C)C1 ZINC000637922881 374475751 /nfs/dbraw/zinc/47/57/51/374475751.db2.gz VDSJWGRWSUGXBP-CHWSQXEVSA-N 1 0 269.389 0.877 10 0 CCAERO C[C@@H]1C[C@H](C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)[C@H](C)O1 ZINC000638166399 374747073 /nfs/dbraw/zinc/74/70/73/374747073.db2.gz GOLHTBAYEFJWBF-KQAFNVIJSA-N 1 0 252.358 0.996 10 0 CCAERO Cc1cocc1C(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000638233912 374825438 /nfs/dbraw/zinc/82/54/38/374825438.db2.gz XBNXMOOYRQNLHV-VXGBXAGGSA-N 1 0 250.298 0.791 10 0 CCAERO CC(=O)N[C@@H](CC(C)C)C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000638330026 374930462 /nfs/dbraw/zinc/93/04/62/374930462.db2.gz CIBILLRFEJOJPW-WCQGTBRESA-N 1 0 255.362 0.343 10 0 CCAERO C[C@@H]1C[C@H](C(=O)N[C@H](C[NH3+])C(F)(F)F)[C@H](C)O1 ZINC000638395992 374990042 /nfs/dbraw/zinc/99/00/42/374990042.db2.gz GBRRJDBBHXIOTK-VGRMVHKJSA-N 1 0 254.252 0.806 10 0 CCAERO CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000638434635 375036134 /nfs/dbraw/zinc/03/61/34/375036134.db2.gz OGYVEJPFPQFPKK-BDAKNGLRSA-N 1 0 281.278 0.345 10 0 CCAERO CCc1cc(C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)n(C)n1 ZINC000638434945 375036389 /nfs/dbraw/zinc/03/63/89/375036389.db2.gz RYKKCLKUWSZNCA-VIFPVBQESA-N 1 0 278.278 0.944 10 0 CCAERO CCN1CC[C@@H](NC(=O)C[C@H]2CCC[NH2+]C2)C1=O ZINC000638826361 375393936 /nfs/dbraw/zinc/39/39/36/375393936.db2.gz NMAPRBPLKNTKFP-GHMZBOCLSA-N 1 0 253.346 0.113 10 0 CCAERO O=C(NC[C@H]1CCCC12CC2)[C@@H]1C[NH2+]CCOC1 ZINC000638794930 375363796 /nfs/dbraw/zinc/36/37/96/375363796.db2.gz IHWAWODEHHXBTH-VXGBXAGGSA-N 1 0 252.358 0.919 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@H]1CCN(C2CCC2)C1=O ZINC000638798490 375372432 /nfs/dbraw/zinc/37/24/32/375372432.db2.gz FHIARNDLMSDLAS-DRZSPHRISA-N 1 0 279.384 0.644 10 0 CCAERO C[C@@H]1CN(C(=O)CCNC(=O)c2ccco2)C[C@H]1C[NH3+] ZINC000638884760 375425251 /nfs/dbraw/zinc/42/52/51/375425251.db2.gz FBKGSKURRIMXEU-GHMZBOCLSA-N 1 0 279.340 0.453 10 0 CCAERO C[C@H]1CN(C(=O)COCC(F)(F)F)C[C@H]1C[NH3+] ZINC000638888186 375427824 /nfs/dbraw/zinc/42/78/24/375427824.db2.gz NLNNUCFHEKENCC-JGVFFNPUSA-N 1 0 254.252 0.619 10 0 CCAERO CCc1nn(C)cc1C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638898158 375435457 /nfs/dbraw/zinc/43/54/57/375435457.db2.gz IOSCAFJSBHYYDZ-VHSXEESVSA-N 1 0 250.346 0.649 10 0 CCAERO Cn1ccnc(N2CCC([C@H]3CCC[NH2+]C3)CC2)c1=O ZINC000656608383 412835222 /nfs/dbraw/zinc/83/52/22/412835222.db2.gz JHDYEBACPSTWFD-ZDUSSCGKSA-N 1 0 276.384 0.996 10 0 CCAERO CN1CC[N@H+](C[C@@H](O)COCc2ccccc2)[C@@H](CO)C1 ZINC000639871160 376103849 /nfs/dbraw/zinc/10/38/49/376103849.db2.gz YNISLAXFNQVQIO-HZPDHXFCSA-N 1 0 294.395 0.172 10 0 CCAERO CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CCC[C@@H]2CF)C1 ZINC000334274886 206293905 /nfs/dbraw/zinc/29/39/05/206293905.db2.gz BHAQAEKMJNFWFZ-WDEREUQCSA-N 1 0 264.366 0.702 10 0 CCAERO O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCN(CC(F)(F)F)CC1 ZINC000188702822 284587117 /nfs/dbraw/zinc/58/71/17/284587117.db2.gz RJPOQMXOUWLUOI-DTWKUNHWSA-N 1 0 283.269 0.393 10 0 CCAERO C[NH+](C)C[C@H](NC(=O)[C@H]1CNC(=O)C1)c1ccccc1 ZINC000110347620 284641071 /nfs/dbraw/zinc/64/10/71/284641071.db2.gz FSCJDCKYVIQSMQ-OLZOCXBDSA-N 1 0 275.352 0.542 10 0 CCAERO CS(=O)(=O)N1CC[C@H](C[N@@H+]2CCC[C@@H]2CCCO)C1 ZINC000338235172 249004334 /nfs/dbraw/zinc/00/43/34/249004334.db2.gz IYYAMRNZHZNWII-CHWSQXEVSA-N 1 0 290.429 0.505 10 0 CCAERO C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CNC(=O)C1 ZINC000110358167 284642450 /nfs/dbraw/zinc/64/24/50/284642450.db2.gz NTBAGJKYKZTAIE-ZDUSSCGKSA-N 1 0 275.352 0.501 10 0 CCAERO C[C@@H](C[NH2+]C[C@@H](O)COCc1ccco1)S(C)(=O)=O ZINC000569686299 291699466 /nfs/dbraw/zinc/69/94/66/291699466.db2.gz JVEKSVCRMSMQBC-WDEREUQCSA-N 1 0 291.369 0.180 10 0 CCAERO CC[C@@H](COC)NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131304152 284802035 /nfs/dbraw/zinc/80/20/35/284802035.db2.gz TVRKZPUHTINZLF-NSHDSACASA-N 1 0 257.378 0.211 10 0 CCAERO CC(C)OCCOC[C@@H](O)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000037889816 184542486 /nfs/dbraw/zinc/54/24/86/184542486.db2.gz BVFDXJWKHMGRJP-IHRRRGAJSA-N 1 0 275.389 0.946 10 0 CCAERO CCC[C@H](C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1)[NH+](C)C ZINC000246018925 285000599 /nfs/dbraw/zinc/00/05/99/285000599.db2.gz JPWAXYKAASTVAZ-XQQFMLRXSA-N 1 0 299.415 0.469 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H]1CCOC1 ZINC000246315740 285014864 /nfs/dbraw/zinc/01/48/64/285014864.db2.gz IXOWOFBVICEZHR-RYUDHWBXSA-N 1 0 255.362 0.901 10 0 CCAERO Cc1c(Cl)cccc1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000335162209 207810416 /nfs/dbraw/zinc/81/04/16/207810416.db2.gz QLTFODGLMGASJH-BXKDBHETSA-N 1 0 268.744 0.959 10 0 CCAERO C[C@H](O)C[N@@H+]1CCN(CCCN2CCOCC2)C[C@@H]1C ZINC000247562560 285054774 /nfs/dbraw/zinc/05/47/74/285054774.db2.gz QYPWZPMDHQDRIU-GJZGRUSLSA-N 1 0 285.432 0.096 10 0 CCAERO CNc1nnc(CC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)s1 ZINC000248714988 285076626 /nfs/dbraw/zinc/07/66/26/285076626.db2.gz FGUGORANXKOXDC-NXEZZACHSA-N 1 0 297.428 0.967 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NCC1CC1 ZINC000249036822 285098022 /nfs/dbraw/zinc/09/80/22/285098022.db2.gz MLUMOKOLZJBCRJ-PWSUYJOCSA-N 1 0 265.357 0.208 10 0 CCAERO COCCOC[C@H](O)C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000300257429 285105083 /nfs/dbraw/zinc/10/50/83/285105083.db2.gz FPWWNVDWTVQKCU-MCIONIFRSA-N 1 0 273.373 0.654 10 0 CCAERO O=C1NCCN1CC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000220381560 296374833 /nfs/dbraw/zinc/37/48/33/296374833.db2.gz WBQVVRNWTNUZFK-TZMCWYRMSA-N 1 0 267.373 0.639 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H](CO)C2)C1 ZINC000249758163 285139107 /nfs/dbraw/zinc/13/91/07/285139107.db2.gz JHLHNTDJSMFINK-CHWSQXEVSA-N 1 0 269.389 0.885 10 0 CCAERO [NH3+]C[C@H]1CC[C@@H](C(=O)N[C@H]2CCCC[C@H]2n2cccn2)O1 ZINC000261675940 285156041 /nfs/dbraw/zinc/15/60/41/285156041.db2.gz GPDMLAXCFXPPKC-RQJABVFESA-N 1 0 292.383 0.989 10 0 CCAERO CC(C)[C@H](C)NC(=O)C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000392884775 285205846 /nfs/dbraw/zinc/20/58/46/285205846.db2.gz KMPQHKCQMKSBAB-DCAQKATOSA-N 1 0 255.362 0.404 10 0 CCAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)N[C@H]2C)CN1C1CC1 ZINC000392929618 285206722 /nfs/dbraw/zinc/20/67/22/285206722.db2.gz JNEYXWPJVWQZKW-BLFANLJRSA-N 1 0 251.374 0.868 10 0 CCAERO [NH3+][C@@H]1CC[C@@H]2CN(Cc3nnnn3Cc3ccccc3)C[C@H]12 ZINC000393942824 285213060 /nfs/dbraw/zinc/21/30/60/285213060.db2.gz MCKZNTOEVDSSSG-QLFBSQMISA-N 1 0 298.394 0.891 10 0 CCAERO COC[C@@H]([NH3+])C(=O)NC1CCC2(CCOCC2)CC1 ZINC000262199256 285225808 /nfs/dbraw/zinc/22/58/08/285225808.db2.gz CYLTZDHKOZUALC-GFCCVEGCSA-N 1 0 270.373 0.816 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)C[C@H]1CCCO1 ZINC000245427641 285240775 /nfs/dbraw/zinc/24/07/75/285240775.db2.gz WEPWIWCSCHEPDU-CHWSQXEVSA-N 1 0 290.429 0.911 10 0 CCAERO Cc1nc(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)c[nH]1 ZINC000285806500 388799720 /nfs/dbraw/zinc/79/97/20/388799720.db2.gz OFAIEZYELSEVCN-RYUDHWBXSA-N 1 0 264.329 0.263 10 0 CCAERO CC(C)CNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000184208535 388770258 /nfs/dbraw/zinc/77/02/58/388770258.db2.gz IFLOAHQTPNPUAG-VXGBXAGGSA-N 1 0 257.378 0.739 10 0 CCAERO Cn1cc(-c2cc(C[N@@H+]3C[C@H](O)C[C@@H]3CO)on2)cn1 ZINC000185044630 388783431 /nfs/dbraw/zinc/78/34/31/388783431.db2.gz YEFLWGZRKMGTLP-GHMZBOCLSA-N 1 0 278.312 0.003 10 0 CCAERO CC(C)(C)[NH2+]C[C@@H](O)COC(=O)c1ccncc1 ZINC000025971466 388819084 /nfs/dbraw/zinc/81/90/84/388819084.db2.gz LRVYYZDZROYCFW-LLVKDONJSA-N 1 0 252.314 0.987 10 0 CCAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC(N)=O)C[C@H]12 ZINC000186015822 388820536 /nfs/dbraw/zinc/82/05/36/388820536.db2.gz CWFYPZAHHCZIMG-OUAUKWLOSA-N 1 0 283.372 0.707 10 0 CCAERO O=C(Nc1cccc(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)c1)C1CC1 ZINC000040801560 388855054 /nfs/dbraw/zinc/85/50/54/388855054.db2.gz DVPZLUOZBSZLJX-STQMWFEESA-N 1 0 289.335 0.696 10 0 CCAERO CCCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000040835598 388857250 /nfs/dbraw/zinc/85/72/50/388857250.db2.gz AAZWAARTYXWTOC-OLZOCXBDSA-N 1 0 292.335 0.915 10 0 CCAERO O=C(N[C@@H]1COc2ccccc21)c1[nH]nc2c1C[NH2+]CC2 ZINC000188474740 388929464 /nfs/dbraw/zinc/92/94/64/388929464.db2.gz JLGIGGYULIVDPW-GFCCVEGCSA-N 1 0 284.319 0.919 10 0 CCAERO CCC[N@@H+](CC(=O)N(C)C)C[C@H](O)COC(C)(C)C ZINC000056510568 388931632 /nfs/dbraw/zinc/93/16/32/388931632.db2.gz VDZKDRNPMAQRPP-LBPRGKRZSA-N 1 0 274.405 0.963 10 0 CCAERO CN1CCO[C@@H](C(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)C1 ZINC000189046541 388947122 /nfs/dbraw/zinc/94/71/22/388947122.db2.gz ODQPHLJGCZNNBT-UPJWGTAASA-N 1 0 284.400 0.884 10 0 CCAERO C[C@@H](O)C[N@@H+]1CCN(CCOCC(F)F)C[C@@H]1C ZINC000189157878 388950322 /nfs/dbraw/zinc/95/03/22/388950322.db2.gz QQPXIZXMRIHGBN-WDEREUQCSA-N 1 0 266.332 0.655 10 0 CCAERO Cn1cc(CC(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)cn1 ZINC000190744098 388998434 /nfs/dbraw/zinc/99/84/34/388998434.db2.gz FIPQENPWXSMASG-LBPRGKRZSA-N 1 0 262.357 0.706 10 0 CCAERO OC1(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)CCCC1 ZINC000087463955 389010903 /nfs/dbraw/zinc/01/09/03/389010903.db2.gz XBIXARDBFXGKFG-CYBMUJFWSA-N 1 0 254.374 0.698 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@H](C)O[C@H](CO)C2)C1 ZINC000188893388 269730594 /nfs/dbraw/zinc/73/05/94/269730594.db2.gz SSJLUURQWQPCKC-AVGNSLFASA-N 1 0 285.388 0.262 10 0 CCAERO CC[C@@H]1CN(CC(=O)NC2CC2)CC[N@@H+]1CCOC ZINC000105836074 389087374 /nfs/dbraw/zinc/08/73/74/389087374.db2.gz GRPWDKVFPTUKHL-CYBMUJFWSA-N 1 0 269.389 0.308 10 0 CCAERO O=C(N1CC([NH2+][C@@H]2CCSC2)C1)C(F)(F)F ZINC000306778295 389091084 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CCCCOC[C@@H](O)C[N@@H+]1CCC[C@@H]1C(=O)NC ZINC000195160762 389117643 /nfs/dbraw/zinc/11/76/43/389117643.db2.gz AHDFIVSFQHRKOV-NWDGAFQWSA-N 1 0 258.362 0.374 10 0 CCAERO O=C(c1ccc2nncn2c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195190731 389119418 /nfs/dbraw/zinc/11/94/18/389119418.db2.gz ZYBXAYXBYFXDLC-GFCCVEGCSA-N 1 0 271.324 0.650 10 0 CCAERO CN1CCN(c2ncc(Br)cn2)[C@@H](C[NH3+])C1 ZINC000226621057 389148865 /nfs/dbraw/zinc/14/88/65/389148865.db2.gz RNTUZACBPQYSFK-VIFPVBQESA-N 1 0 286.177 0.318 10 0 CCAERO C=CCc1ccccc1OC[C@H](O)CNCC[NH3+] ZINC000205678833 389129955 /nfs/dbraw/zinc/12/99/55/389129955.db2.gz RWRGAVDUFICLTI-CYBMUJFWSA-N 1 0 250.342 0.703 10 0 CCAERO COC[C@@H]1CN(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000342115535 389196510 /nfs/dbraw/zinc/19/65/10/389196510.db2.gz ROYMOZPTADNMMQ-CRWXNKLISA-N 1 0 299.415 0.914 10 0 CCAERO NC(=O)[C@@H]1CCCN(C(=O)CN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000329798643 389202092 /nfs/dbraw/zinc/20/20/92/389202092.db2.gz GPIPICTZJBSVAM-UTUOFQBUSA-N 1 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/nfs/dbraw/zinc/21/80/62/389218062.db2.gz OGEDREAMZXZVGU-KBPBESRZSA-N 1 0 285.432 0.896 10 0 CCAERO Cc1nnc(CN2C[C@H](C(N)=O)CC[C@H]2C)n1C ZINC000245854102 389219186 /nfs/dbraw/zinc/21/91/86/389219186.db2.gz NPQNFBOMWGPEEI-PSASIEDQSA-N 1 0 251.334 0.209 10 0 CCAERO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246120900 389224159 /nfs/dbraw/zinc/22/41/59/389224159.db2.gz LHLIFHSBTQTAKF-UPJWGTAASA-N 1 0 269.389 0.116 10 0 CCAERO CC(C)OC[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246208805 389225573 /nfs/dbraw/zinc/22/55/73/389225573.db2.gz YCMUIVAOAZENBG-RBSFLKMASA-N 1 0 286.416 0.425 10 0 CCAERO C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1)C(=O)N(C)C ZINC000246633574 389230888 /nfs/dbraw/zinc/23/08/88/389230888.db2.gz KLOPEVCGPHFZLS-XQQFMLRXSA-N 1 0 297.399 0.080 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1=NN(C)C(=O)CC1 ZINC000247158729 389237339 /nfs/dbraw/zinc/23/73/39/389237339.db2.gz KIQHJOJSQOOPIP-QWRGUYRKSA-N 1 0 278.356 0.290 10 0 CCAERO C[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1cnccn1 ZINC000151288151 389276835 /nfs/dbraw/zinc/27/68/35/389276835.db2.gz JCKRQKFCVLQYJY-OLZOCXBDSA-N 1 0 264.373 0.974 10 0 CCAERO CCn1cnnc1[C@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000262697832 389293496 /nfs/dbraw/zinc/29/34/96/389293496.db2.gz FNXQAKFKBNIXCB-RYUDHWBXSA-N 1 0 279.388 0.987 10 0 CCAERO CC[C@](C)(O)C[N@@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000161948380 389412463 /nfs/dbraw/zinc/41/24/63/389412463.db2.gz REZVKZJGTMVAGB-RYUDHWBXSA-N 1 0 278.418 0.550 10 0 CCAERO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ncnc2nc(N)ccc21 ZINC000408434358 389350423 /nfs/dbraw/zinc/35/04/23/389350423.db2.gz GCLYSRPILNEXHG-UWVGGRQHSA-N 1 0 272.356 0.966 10 0 CCAERO C[C@@H](CCn1cccn1)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000159016760 389356248 /nfs/dbraw/zinc/35/62/48/389356248.db2.gz MZYGYDXAFBPULK-NWDGAFQWSA-N 1 0 260.345 0.858 10 0 CCAERO Cc1nnc([C@H](C)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)[nH]1 ZINC000408471369 389358639 /nfs/dbraw/zinc/35/86/39/389358639.db2.gz YLAPHBSHZGRKGN-MXWKQRLJSA-N 1 0 267.377 0.561 10 0 CCAERO CN1CCO[C@@H]2CCN(C(=O)NC3CCC3)C[C@@H]21 ZINC000334237364 389461828 /nfs/dbraw/zinc/46/18/28/389461828.db2.gz LXZRYFZMTHDDDU-NWDGAFQWSA-N 1 0 253.346 0.653 10 0 CCAERO CN1CC[C@H](C(=O)N2CC[C@H]([NH+](C)C)C2)CC1=O ZINC000170867625 389466043 /nfs/dbraw/zinc/46/60/43/389466043.db2.gz TUCCKNYPVNABAL-QWRGUYRKSA-N 1 0 253.346 0.017 10 0 CCAERO O=C([C@H]1CNC(=O)C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000171042175 389470936 /nfs/dbraw/zinc/47/09/36/389470936.db2.gz ICQPPUZAIVFIJI-OLZOCXBDSA-N 1 0 279.384 0.599 10 0 CCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](C)n1cncn1 ZINC000172166880 389485542 /nfs/dbraw/zinc/48/55/42/389485542.db2.gz GYTJJWHYQBZXMO-NWDGAFQWSA-N 1 0 267.377 0.932 10 0 CCAERO O=C(NCC[C@H]1CCOC1)N[C@H]1CCCC[NH2+]C1 ZINC000333577412 389429139 /nfs/dbraw/zinc/42/91/39/389429139.db2.gz NEDXNXVYDATTCY-RYUDHWBXSA-N 1 0 255.362 0.854 10 0 CCAERO Brc1cncnc1NC[C@H]1C[NH2+]CCCO1 ZINC000333582421 389430407 /nfs/dbraw/zinc/43/04/07/389430407.db2.gz RQCVCRJNKUKVCM-MRVPVSSYSA-N 1 0 287.161 0.451 10 0 CCAERO O=C(N[C@@H]1CC(=O)N(C2CC2)C1)N[C@H]1CCCC[NH2+]C1 ZINC000333588947 389432177 /nfs/dbraw/zinc/43/21/77/389432177.db2.gz OIMWHPSANFTHMK-WDEREUQCSA-N 1 0 280.372 0.191 10 0 CCAERO CN1CCO[C@H](CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1 ZINC000333603035 389434781 /nfs/dbraw/zinc/43/47/81/389434781.db2.gz PSVNUHLMXFUEQS-CRWXNKLISA-N 1 0 296.415 0.086 10 0 CCAERO CC[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333600492 389435231 /nfs/dbraw/zinc/43/52/31/389435231.db2.gz PMYXGNTWWPRQGV-UTUOFQBUSA-N 1 0 255.362 0.995 10 0 CCAERO [NH3+]Cc1cn(CC(=O)N[C@H]2CCOc3ccccc32)nn1 ZINC000167394803 389444844 /nfs/dbraw/zinc/44/48/44/389444844.db2.gz UHRVLWNRCBQZMZ-LBPRGKRZSA-N 1 0 287.323 0.377 10 0 CCAERO CNC(=O)NC(=O)[C@@H](C)N1CCC[C@@H]1c1cnn(C)c1 ZINC000173654290 389506285 /nfs/dbraw/zinc/50/62/85/389506285.db2.gz ZBBVCAPMKQVGPX-MWLCHTKSSA-N 1 0 279.344 0.401 10 0 CCAERO 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/nfs/dbraw/zinc/22/75/18/144227518.db2.gz BZLFCLDBTIYXDG-FRRDWIJNSA-N 1 0 270.373 0.469 10 0 CCAERO COC(=O)[C@]1(C)CN([C@@H](C)c2nnnn2C)C[C@H]1C ZINC000370544041 144306699 /nfs/dbraw/zinc/30/66/99/144306699.db2.gz ONLFSUMTXOPLNQ-VDDIYKPWSA-N 1 0 267.333 0.402 10 0 CCAERO Cc1nnsc1C[NH2+][C@H]1CCCN(CCO)C1 ZINC000384732017 397496734 /nfs/dbraw/zinc/49/67/34/397496734.db2.gz PLJILVBSJWEZTI-JTQLQIEISA-N 1 0 256.375 0.393 10 0 CCAERO C[C@H](NC(=O)N1CCO[C@H](C[NH+](C)C)C1)[C@@H]1CCOC1 ZINC000371842753 144346203 /nfs/dbraw/zinc/34/62/03/144346203.db2.gz MBXULYDMTSJLCV-YNEHKIRRSA-N 1 0 285.388 0.383 10 0 CCAERO Cc1nc(NC[C@@H]2CCCC[NH2+]2)sc1S(N)(=O)=O ZINC000385571010 397498855 /nfs/dbraw/zinc/49/88/55/397498855.db2.gz XJAPLRCLSFWDGH-QMMMGPOBSA-N 1 0 290.414 0.075 10 0 CCAERO CN(Cc1nccn1C)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000386653929 397502315 /nfs/dbraw/zinc/50/23/15/397502315.db2.gz UCXQTYOYWWAXLM-LLVKDONJSA-N 1 0 250.346 0.911 10 0 CCAERO NC(=O)C1([NH3+])CCN(c2ccncc2Cl)CC1 ZINC000584636482 397583282 /nfs/dbraw/zinc/58/32/82/397583282.db2.gz RYOOTPLLFPAPFD-UHFFFAOYSA-N 1 0 254.721 0.518 10 0 CCAERO CCOCCCNC(=O)[C@@H](C)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193648875 286067890 /nfs/dbraw/zinc/06/78/90/286067890.db2.gz GTAFEGFMPKBDAY-MCIONIFRSA-N 1 0 283.416 0.411 10 0 CCAERO Cc1ccc([C@H](CNC(N)=[NH2+])N2CCOCC2)s1 ZINC000262464780 292251466 /nfs/dbraw/zinc/25/14/66/292251466.db2.gz NJKZFUKFAZTUAT-JTQLQIEISA-N 1 0 268.386 0.913 10 0 CCAERO COc1ccc(CN2CCO[C@H]3CC[N@H+](C)C[C@H]32)nn1 ZINC000284965604 286307068 /nfs/dbraw/zinc/30/70/68/286307068.db2.gz WSODPTDDLPMAFN-OLZOCXBDSA-N 1 0 278.356 0.390 10 0 CCAERO CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H](O)C(F)(F)F)C1(C)C ZINC000232226940 286417053 /nfs/dbraw/zinc/41/70/53/286417053.db2.gz GVZBRYHRLAZQED-XLDPMVHQSA-N 1 0 298.305 0.558 10 0 CCAERO CC(C)(C)n1nnc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000659293947 413382392 /nfs/dbraw/zinc/38/23/92/413382392.db2.gz YNIOTEWVBUYGQB-BDAKNGLRSA-N 1 0 266.349 0.285 10 0 CCAERO CC(C)(C)n1nnc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000659305706 413391780 /nfs/dbraw/zinc/39/17/80/413391780.db2.gz KPHCFHMIDUWTQL-AEJSXWLSSA-N 1 0 278.360 0.237 10 0 CCAERO CC(C)(C(=O)NCCO[C@@H]1CC1(F)F)N1CC[NH2+]CC1 ZINC000659344962 413438049 /nfs/dbraw/zinc/43/80/49/413438049.db2.gz GFKGGDUKADFSFK-SNVBAGLBSA-N 1 0 291.342 0.211 10 0 CCAERO COC[C@]1(C(=O)N2CC[C@@H](C)O[C@@H](C)C2)CCC[NH2+]1 ZINC000659372449 413454665 /nfs/dbraw/zinc/45/46/65/413454665.db2.gz CURVKBAOSNOQMZ-DYEKYZERSA-N 1 0 270.373 0.781 10 0 CCAERO CC(C)(C(=O)NCC1=CCCC1)N1CC[NH2+]CC1 ZINC000659379731 413460659 /nfs/dbraw/zinc/46/06/59/413460659.db2.gz NFBCEFYXLMPEOZ-UHFFFAOYSA-N 1 0 251.374 0.897 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)NC(=O)NC ZINC000175050415 287224318 /nfs/dbraw/zinc/22/43/18/287224318.db2.gz CEHREMSQOOJPTP-VXGBXAGGSA-N 1 0 282.388 0.391 10 0 CCAERO [NH3+]Cc1cn(CC(=O)NCCC2=CCCCC2)nn1 ZINC000123016123 411708906 /nfs/dbraw/zinc/70/89/06/411708906.db2.gz MTUMHFVJLLTAEP-UHFFFAOYSA-N 1 0 263.345 0.744 10 0 CCAERO [NH3+]Cc1cn(CC(=O)NCCC2CCCCC2)nn1 ZINC000123047279 411709996 /nfs/dbraw/zinc/70/99/96/411709996.db2.gz NSAZCIMQAWVSOI-UHFFFAOYSA-N 1 0 265.361 0.823 10 0 CCAERO [NH3+][C@H](CCC(=O)N[C@@H]1CCCNC1=O)c1ccccc1 ZINC000071401367 411694893 /nfs/dbraw/zinc/69/48/93/411694893.db2.gz YZBWUSUNQZZLSH-CHWSQXEVSA-N 1 0 275.352 0.861 10 0 CCAERO O=C(NCC[C@H]1CCCO1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000071215534 411695217 /nfs/dbraw/zinc/69/52/17/411695217.db2.gz YGSGRPJRDUJCGO-GFCCVEGCSA-N 1 0 293.371 0.502 10 0 CCAERO Cn1ncc(N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(Cl)c1=O ZINC000311703120 411751841 /nfs/dbraw/zinc/75/18/41/411751841.db2.gz MJMFKQLINGLTFS-ZANVPECISA-N 1 0 282.775 0.999 10 0 CCAERO C[C@@H]1CN(CC[N@@H+]2CC[C@H](CCO)C2)C[C@H](C)O1 ZINC000314326668 411754735 /nfs/dbraw/zinc/75/47/35/411754735.db2.gz FNIFHDNVCQLCMM-HZSPNIEDSA-N 1 0 256.390 0.800 10 0 CCAERO CC[C@H](C)NC(=O)CCNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129670349 411720274 /nfs/dbraw/zinc/72/02/74/411720274.db2.gz GPKXGJXZBLPJHD-LBPRGKRZSA-N 1 0 298.431 0.091 10 0 CCAERO CCO[C@H]1CCCN(C(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000129711203 411720864 /nfs/dbraw/zinc/72/08/64/411720864.db2.gz NIIBEUBHBRGPHA-ZDUSSCGKSA-N 1 0 283.416 0.698 10 0 CCAERO C[C@H]1CCCN(C(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000131189312 411723367 /nfs/dbraw/zinc/72/33/67/411723367.db2.gz JZFIHIDGUSAOIF-LBPRGKRZSA-N 1 0 253.390 0.929 10 0 CCAERO Cc1nc(CNC(=O)C(C)(C)N2CC[NH2+]CC2)cs1 ZINC000131256756 411723640 /nfs/dbraw/zinc/72/36/40/411723640.db2.gz HNXIWANBDNBXTL-UHFFFAOYSA-N 1 0 282.413 0.752 10 0 CCAERO Cc1cc(Nc2cc(CC3CC[NH2+]CC3)nc(N)n2)n[nH]1 ZINC000616593835 411841505 /nfs/dbraw/zinc/84/15/05/411841505.db2.gz YZAMABLEOOCJKM-UHFFFAOYSA-N 1 0 287.371 0.798 10 0 CCAERO Nc1cc([C@@H]2c3ccccc3CCN2CC[NH3+])[nH]n1 ZINC000616681280 411842346 /nfs/dbraw/zinc/84/23/46/411842346.db2.gz WQSKYKXQOGVWCT-AWEZNQCLSA-N 1 0 257.341 0.898 10 0 CCAERO C[NH+](C)CCCNC(=O)CNC(=O)c1ccc(N)cc1 ZINC000019472463 170805483 /nfs/dbraw/zinc/80/54/83/170805483.db2.gz CZJQKQRNNGWNNQ-UHFFFAOYSA-N 1 0 278.356 0.067 10 0 CCAERO O=C(N[C@H]1C[NH+]2CCC1CC2)[C@H]1Cc2ccccc2CN1 ZINC000019486397 170812481 /nfs/dbraw/zinc/81/24/81/170812481.db2.gz ABWNCGTWJDLDHD-CVEARBPZSA-N 1 0 285.391 0.911 10 0 CCAERO COC[C@H](C)NS(=O)(=O)Cc1ccccc1C[NH3+] ZINC000019987639 170961573 /nfs/dbraw/zinc/96/15/73/170961573.db2.gz OELQKORJAGLLGN-JTQLQIEISA-N 1 0 272.370 0.600 10 0 CCAERO CC(=O)N1CCc2cc(S(=O)(=O)N(C)CC[NH3+])ccc21 ZINC000020183018 171046666 /nfs/dbraw/zinc/04/66/66/171046666.db2.gz RBVIQDPKJPLUBQ-UHFFFAOYSA-N 1 0 297.380 0.175 10 0 CCAERO CCc1cc(S(N)(=O)=O)ccc1OCCC[NH3+] ZINC000020267903 171124325 /nfs/dbraw/zinc/12/43/25/171124325.db2.gz SYPSCESUBUWNRB-UHFFFAOYSA-N 1 0 258.343 0.624 10 0 CCAERO CNC(=O)NC(=O)[C@H](C)Oc1ccc([C@@H](C)[NH3+])cc1 ZINC000020419305 171183617 /nfs/dbraw/zinc/18/36/17/171183617.db2.gz IGZFZVYZPVSURH-BDAKNGLRSA-N 1 0 265.313 0.929 10 0 CCAERO C[C@@H]([NH3+])c1ccccc1O[C@@H](C)C(=O)NC(N)=O ZINC000020419452 171184148 /nfs/dbraw/zinc/18/41/48/171184148.db2.gz ROHZDSHJHORGCG-SFYZADRCSA-N 1 0 251.286 0.669 10 0 CCAERO C[C@@H]([NH3+])c1ccccc1O[C@H](C)C(=O)NC(N)=O ZINC000020419455 171184540 /nfs/dbraw/zinc/18/45/40/171184540.db2.gz ROHZDSHJHORGCG-HTQZYQBOSA-N 1 0 251.286 0.669 10 0 CCAERO CNC(=O)NC(=O)[C@H](C)Oc1ccc([C@@H](C)[NH3+])cc1OC ZINC000020419863 171185218 /nfs/dbraw/zinc/18/52/18/171185218.db2.gz LIWZBZFKFIPONA-BDAKNGLRSA-N 1 0 295.339 0.938 10 0 CCAERO C[C@@H]([NH3+])c1cccc(O[C@H](C)C(=O)NC(N)=O)c1 ZINC000020419776 171185357 /nfs/dbraw/zinc/18/53/57/171185357.db2.gz NNAIGSBTQFBTCJ-HTQZYQBOSA-N 1 0 251.286 0.669 10 0 CCAERO O=C(Nc1ccc2c(c1)OC(F)(F)O2)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000020434150 171199777 /nfs/dbraw/zinc/19/97/77/171199777.db2.gz QIFQJRMGWACXOK-YUMQZZPRSA-N 1 0 286.234 0.669 10 0 CCAERO COc1ccc(C[C@@H](C[NH3+])C(N)=O)cc1OC(F)F ZINC000020580039 171256729 /nfs/dbraw/zinc/25/67/29/171256729.db2.gz GIYITTKLXUMFIY-QMMMGPOBSA-N 1 0 274.267 0.899 10 0 CCAERO COc1ccc(C[C@@H](C[NH3+])C(N)=O)c(OC)c1OC ZINC000020579926 171256980 /nfs/dbraw/zinc/25/69/80/171256980.db2.gz QGEBZSNXABHSKB-VIFPVBQESA-N 1 0 268.313 0.315 10 0 CCAERO CCOCCCNS(=O)(=O)Cc1ccccc1C[NH3+] ZINC000021813886 171331311 /nfs/dbraw/zinc/33/13/11/171331311.db2.gz JXEFSRWIIWHBAN-UHFFFAOYSA-N 1 0 286.397 0.991 10 0 CCAERO COc1cc(N)c(C(=O)NCCC[NH+](C)C)cc1OC ZINC000022170396 171367930 /nfs/dbraw/zinc/36/79/30/171367930.db2.gz JYGFRJVGDVZGFN-UHFFFAOYSA-N 1 0 281.356 0.968 10 0 CCAERO [NH3+]Cc1ccccc1S(=O)(=O)NC[C@@H]1CCCO1 ZINC000022169857 171367961 /nfs/dbraw/zinc/36/79/61/171367961.db2.gz YDGFEEWDBFTMRR-NSHDSACASA-N 1 0 270.354 0.603 10 0 CCAERO C[C@H]1CN(S(=O)(=O)c2cccc(C[NH3+])c2)C[C@H](C)O1 ZINC000022210196 171372816 /nfs/dbraw/zinc/37/28/16/171372816.db2.gz QYEMCCUBCUMXDO-QWRGUYRKSA-N 1 0 284.381 0.943 10 0 CCAERO CN(C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)[C@H]1CCOC1 ZINC000653086519 412213238 /nfs/dbraw/zinc/21/32/38/412213238.db2.gz UNWSZFFMQUPAAC-DJLDLDEBSA-N 1 0 266.263 0.632 10 0 CCAERO CNC(=O)[C@@H](C)CN(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653102292 412218556 /nfs/dbraw/zinc/21/85/56/412218556.db2.gz UPTIBKMMJJEAHC-DJLDLDEBSA-N 1 0 295.305 0.225 10 0 CCAERO Cc1nccn1CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653114293 412225532 /nfs/dbraw/zinc/22/55/32/412225532.db2.gz CUFLWTUNCKHHNS-NXEZZACHSA-N 1 0 290.289 0.706 10 0 CCAERO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)C(N)=O ZINC000035138343 172005573 /nfs/dbraw/zinc/00/55/73/172005573.db2.gz LVHNERIDEQWEAW-IUCAKERBSA-N 1 0 250.298 0.982 10 0 CCAERO CN(C(=O)[C@H]([NH3+])CCS(C)(=O)=O)C1CCCCC1 ZINC000035220758 172062766 /nfs/dbraw/zinc/06/27/66/172062766.db2.gz YSRXOJDEGPWYNH-LLVKDONJSA-N 1 0 276.402 0.540 10 0 CCAERO C[NH2+]Cc1c(N2CCNC(=O)C2)nc2sccn12 ZINC000035429926 172197918 /nfs/dbraw/zinc/19/79/18/172197918.db2.gz LDDDRBJYFQEJIK-UHFFFAOYSA-N 1 0 265.342 0.051 10 0 CCAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCOC)cc1 ZINC000035632844 172315728 /nfs/dbraw/zinc/31/57/28/172315728.db2.gz SWTGOBAMKUVWTI-SNVBAGLBSA-N 1 0 272.370 0.892 10 0 CCAERO [NH3+][C@H]1CC(=O)N(CCc2ccc3c(c2)OCCO3)C1 ZINC000035679705 172350409 /nfs/dbraw/zinc/35/04/09/172350409.db2.gz NJUXECHTVBFHOB-NSHDSACASA-N 1 0 262.309 0.560 10 0 CCAERO C[C@H]1CN(S(C)(=O)=O)C[C@H](C)N1CCC[NH+](C)C ZINC000036125200 172446050 /nfs/dbraw/zinc/44/60/50/172446050.db2.gz KQBNXTSUTCOPIQ-RYUDHWBXSA-N 1 0 277.434 0.292 10 0 CCAERO O=C(CCn1cncn1)N[C@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000036287316 172582601 /nfs/dbraw/zinc/58/26/01/172582601.db2.gz OJCPZBDNTWVONO-TUAOUCFPSA-N 1 0 263.345 0.173 10 0 CCAERO CN(Cc1ccccc1)S(=O)(=O)NCCC[NH3+] ZINC000036297858 172590983 /nfs/dbraw/zinc/59/09/83/172590983.db2.gz GELXIKOXTTYKJV-UHFFFAOYSA-N 1 0 257.359 0.302 10 0 CCAERO COc1cccc(N(CCC[NH3+])[C@@H](C)C(N)=O)c1 ZINC000036730975 172662503 /nfs/dbraw/zinc/66/25/03/172662503.db2.gz QLJUDDMNPAYMER-JTQLQIEISA-N 1 0 251.330 0.724 10 0 CCAERO Cc1cccnc1C[N@@H+]1CC[C@@](O)(c2cn[nH]n2)C1 ZINC000285508589 196308168 /nfs/dbraw/zinc/30/81/68/196308168.db2.gz NLYGZSZRHCGZOQ-ZDUSSCGKSA-N 1 0 259.313 0.602 10 0 CCAERO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NCC1CCCC1 ZINC000037258732 173069490 /nfs/dbraw/zinc/06/94/90/173069490.db2.gz ZWUNZWVRLVWROM-SNVBAGLBSA-N 1 0 262.375 0.055 10 0 CCAERO Cc1cc(N)cc(S(=O)(=O)NC2CC[NH+](C)CC2)c1 ZINC000037267207 173077923 /nfs/dbraw/zinc/07/79/23/173077923.db2.gz IMGKEOHHNBEPJX-UHFFFAOYSA-N 1 0 283.397 0.950 10 0 CCAERO O=c1c2sccc2ncn1C[C@@H](O)C[NH2+]C1CC1 ZINC000037382755 173167907 /nfs/dbraw/zinc/16/79/07/173167907.db2.gz BTWPRPCGXWDHQU-VIFPVBQESA-N 1 0 265.338 0.571 10 0 CCAERO CCC(CC)C(=O)N(CC(N)=O)[C@@H]1CCC[NH2+]C1 ZINC000037542213 173263571 /nfs/dbraw/zinc/26/35/71/173263571.db2.gz VIZWWRZVDGVNIO-LLVKDONJSA-N 1 0 255.362 0.489 10 0 CCAERO Cc1occc1C(=O)N(CC(N)=O)C1CC[NH2+]CC1 ZINC000037542422 173263870 /nfs/dbraw/zinc/26/38/70/173263870.db2.gz TXNWXDUXSVAHBE-UHFFFAOYSA-N 1 0 265.313 0.268 10 0 CCAERO COc1ccc(O[C@H](C)C(N)=O)c(C[C@H](C)[NH3+])c1 ZINC000037722696 173640876 /nfs/dbraw/zinc/64/08/76/173640876.db2.gz KJPLCPUMORALEX-DTWKUNHWSA-N 1 0 252.314 0.838 10 0 CCAERO CS(=O)(=O)NC1CCN(C(=O)CCCCC[NH3+])CC1 ZINC000037805710 173746860 /nfs/dbraw/zinc/74/68/60/173746860.db2.gz ASMVTQYYMVXSCZ-UHFFFAOYSA-N 1 0 291.417 0.046 10 0 CCAERO CCN1CC[C@H]([N@@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)C1=O ZINC000660805370 414486085 /nfs/dbraw/zinc/48/60/85/414486085.db2.gz BPILJCRJMWYGMD-LOWDOPEQSA-N 1 0 252.358 0.700 10 0 CCAERO O=C(c1c[nH]c(=O)[nH]1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000037916669 173851471 /nfs/dbraw/zinc/85/14/71/173851471.db2.gz MHHZSYPCIGIYAT-VHSXEESVSA-N 1 0 264.329 0.307 10 0 CCAERO CN(C)S(=O)(=O)N1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000037916490 173851607 /nfs/dbraw/zinc/85/16/07/173851607.db2.gz GAWIUSQHTZOMQB-LLVKDONJSA-N 1 0 261.391 0.257 10 0 CCAERO CCOC(=O)C1(N2CCC[NH2+]CC2)CCOCC1 ZINC000037959688 173904213 /nfs/dbraw/zinc/90/42/13/173904213.db2.gz WMAXETMYFZPTBC-UHFFFAOYSA-N 1 0 256.346 0.394 10 0 CCAERO 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0.734 10 0 CCAERO CN1[C@@H]2CC[C@H]1CC([NH2+]C[C@@H]1CCS(=O)(=O)C1)C2 ZINC000038083167 174092695 /nfs/dbraw/zinc/09/26/95/174092695.db2.gz HCWXHKQSSUFKLF-WODVXLOZSA-N 1 0 272.414 0.636 10 0 CCAERO CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000038083812 174093545 /nfs/dbraw/zinc/09/35/45/174093545.db2.gz PZQGYKDYNUIVRG-ZJUUUORDSA-N 1 0 262.375 0.055 10 0 CCAERO C[NH2+]Cc1cccc(O[C@@H]2CCS(=O)(=O)C2)c1 ZINC000038084510 174094504 /nfs/dbraw/zinc/09/45/04/174094504.db2.gz HFXHCMQRBAAEFJ-GFCCVEGCSA-N 1 0 255.339 0.972 10 0 CCAERO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)Cc1ccco1 ZINC000038092765 174106797 /nfs/dbraw/zinc/10/67/97/174106797.db2.gz RPSSNHMPLVZPPO-DTWKUNHWSA-N 1 0 253.302 0.644 10 0 CCAERO CCCN(CC(=O)N(C)C)C(=O)[C@H]([NH3+])CC(C)C ZINC000038101103 174116373 /nfs/dbraw/zinc/11/63/73/174116373.db2.gz VDPSMFCSRJLYGS-LLVKDONJSA-N 1 0 257.378 0.687 10 0 CCAERO COC(=O)C[C@@H]1CCCCN1C(=O)[C@H]([NH3+])C(C)C ZINC000038101903 174118251 /nfs/dbraw/zinc/11/82/51/174118251.db2.gz 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C[C@@H]1CCCC[C@H]1N(C)S(=O)(=O)N1CC[NH2+]CC1 ZINC000044374957 175168597 /nfs/dbraw/zinc/16/85/97/175168597.db2.gz VGLJTLAUWGXCHU-VXGBXAGGSA-N 1 0 275.418 0.647 10 0 CCAERO COc1ncc(C[NH2+]CCN2CCOCC2)s1 ZINC000045205436 175327607 /nfs/dbraw/zinc/32/76/07/175327607.db2.gz ZDJJQAOJVKUDKW-UHFFFAOYSA-N 1 0 257.359 0.574 10 0 CCAERO CCNC(=O)[C@H](C)Sc1nnc(C[NH3+])n1C1CC1 ZINC000071375909 176141215 /nfs/dbraw/zinc/14/12/15/176141215.db2.gz XSCAUQDHNJELIW-ZETCQYMHSA-N 1 0 269.374 0.688 10 0 CCAERO CNC(=O)NC(=O)[C@H](C)NCC[N@H+](C)C1CCCC1 ZINC000071377337 176142270 /nfs/dbraw/zinc/14/22/70/176142270.db2.gz IMISHCREAGCEIU-JTQLQIEISA-N 1 0 270.377 0.295 10 0 CCAERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCn1ccc(N)n1 ZINC000071378109 176142811 /nfs/dbraw/zinc/14/28/11/176142811.db2.gz DJVQGSVEJWRBEX-VHSXEESVSA-N 1 0 251.334 0.051 10 0 CCAERO CNC(=O)c1cnn2c1nccc2[C@@H]1CCC[N@@H+]1C ZINC000072379280 176385685 /nfs/dbraw/zinc/38/56/85/176385685.db2.gz IBLLNLKAXUJYDA-JTQLQIEISA-N 1 0 259.313 0.856 10 0 CCAERO C[C@@H](C[NH3+])CCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000076675254 177055596 /nfs/dbraw/zinc/05/55/96/177055596.db2.gz FRUMQQGTIFNZCO-NXEZZACHSA-N 1 0 262.375 0.007 10 0 CCAERO CCC[C@@H](CC[NH3+])C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000076675152 177055618 /nfs/dbraw/zinc/05/56/18/177055618.db2.gz QZYLMDUBKNFKAW-VHSXEESVSA-N 1 0 262.375 0.055 10 0 CCAERO Cc1ncsc1CCN(C)C[C@]1(O)C[NH2+]CCOC1 ZINC000077406620 177263783 /nfs/dbraw/zinc/26/37/83/177263783.db2.gz DSRXTAPQQDSSTQ-CYBMUJFWSA-N 1 0 285.413 0.277 10 0 CCAERO CCC[NH2+]C[C@H](O)CCn1cc(S(C)(=O)=O)cn1 ZINC000725252502 545876956 /nfs/dbraw/zinc/87/69/56/545876956.db2.gz MLLZBVMZBMHRHU-SNVBAGLBSA-N 1 0 275.374 0.037 10 0 CCAERO CS(=O)(=O)c1cnn(-c2ccc(C[NH3+])cc2)c1 ZINC000725253383 545877914 /nfs/dbraw/zinc/87/79/14/545877914.db2.gz ULIMZQJSYYKSND-UHFFFAOYSA-N 1 0 251.311 0.735 10 0 CCAERO CS(=O)(=O)c1cnn(Cc2ccc(C[NH3+])o2)c1 ZINC000725253517 545878114 /nfs/dbraw/zinc/87/81/14/545878114.db2.gz WKWVRMIJCJNQET-UHFFFAOYSA-N 1 0 255.299 0.387 10 0 CCAERO CCO[C@H](C[NH3+])CCn1cc(S(C)(=O)=O)cn1 ZINC000725252870 545879008 /nfs/dbraw/zinc/87/90/08/545879008.db2.gz OZAOUGLYSZLSJP-VIFPVBQESA-N 1 0 261.347 0.041 10 0 CCAERO CO[C@H]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000725268941 545886431 /nfs/dbraw/zinc/88/64/31/545886431.db2.gz HICHWKWHEGYJLG-QWRGUYRKSA-N 1 0 279.344 0.064 10 0 CCAERO C[C@H]([NH3+])C(=O)N1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000725272431 545887981 /nfs/dbraw/zinc/88/79/81/545887981.db2.gz QCESQTMCBQJFTI-UWVGGRQHSA-N 1 0 256.346 0.914 10 0 CCAERO COCCC[NH2+]C[C@@H](O)CS(=O)(=O)c1ccccc1 ZINC000725270728 545888035 /nfs/dbraw/zinc/88/80/35/545888035.db2.gz QXCJXMRALQPPPE-GFCCVEGCSA-N 1 0 287.381 0.447 10 0 CCAERO CC(C)S(=O)(=O)N1CCC2(CC1)C[NH2+]C[C@@H](C)O2 ZINC000725271622 545888475 /nfs/dbraw/zinc/88/84/75/545888475.db2.gz IRACDESCAOFBBS-LLVKDONJSA-N 1 0 276.402 0.568 10 0 CCAERO CCC[C@H](C)C(=O)N[C@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC000725271889 545888573 /nfs/dbraw/zinc/88/85/73/545888573.db2.gz DQMGCYPGIGVKFP-UWVGGRQHSA-N 1 0 253.346 0.112 10 0 CCAERO COC(=O)CCCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171897685 335083973 /nfs/dbraw/zinc/08/39/73/335083973.db2.gz ABHNEDCVMSRPQL-LLVKDONJSA-N 1 0 269.345 0.429 10 0 CCAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CC[C@@H](N2CCOCC2)C1 ZINC000062976840 544446870 /nfs/dbraw/zinc/44/68/70/544446870.db2.gz RBTCMDMRFXFXQI-UONOGXRCSA-N 1 0 281.400 0.309 10 0 CCAERO CC(=O)N[C@H]1CCCN(C(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000079517613 544474229 /nfs/dbraw/zinc/47/42/29/544474229.db2.gz ULIGVAPBRVCOLM-AAEUAGOBSA-N 1 0 253.346 0.256 10 0 CCAERO O=C(COC1CC[NH2+]CC1)NC[C@H]1CCC[C@H]1O ZINC000089169973 544512171 /nfs/dbraw/zinc/51/21/71/544512171.db2.gz OTOZICHHWZFAPS-ZYHUDNBSSA-N 1 0 256.346 0.032 10 0 CCAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC000089453915 544513138 /nfs/dbraw/zinc/51/31/38/544513138.db2.gz XCLAKMJGTNQUKT-OCCSQVGLSA-N 1 0 293.411 0.879 10 0 CCAERO CN(Cc1nnc2n1CCC2)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089457320 544514441 /nfs/dbraw/zinc/51/44/41/544514441.db2.gz GDSJCINHFMCDGM-WDEREUQCSA-N 1 0 277.372 0.558 10 0 CCAERO Clc1cncnc1NCCCN1CC[NH2+]CC1 ZINC000097848080 544553864 /nfs/dbraw/zinc/55/38/64/544553864.db2.gz FYWLXRPGBMNXSM-UHFFFAOYSA-N 1 0 255.753 0.837 10 0 CCAERO CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)Cn2cncn2)C1 ZINC000105216549 544559339 /nfs/dbraw/zinc/55/93/39/544559339.db2.gz BEHBZZXFCUWMRB-STQMWFEESA-N 1 0 294.403 0.698 10 0 CCAERO COc1cc(OC)nc(N2CCO[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000135012276 544633353 /nfs/dbraw/zinc/63/33/53/544633353.db2.gz BQZPRJPCHAAONL-DTWKUNHWSA-N 1 0 268.317 0.046 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCC(=O)N1CCCCC1 ZINC000135362914 544635010 /nfs/dbraw/zinc/63/50/10/544635010.db2.gz WWMWBDNJYHLIPA-NWDGAFQWSA-N 1 0 267.373 0.490 10 0 CCAERO [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)C1 ZINC000131007734 544618349 /nfs/dbraw/zinc/61/83/49/544618349.db2.gz FIOQEJBMCLNHMR-UMSGYPCISA-N 1 0 279.384 0.631 10 0 CCAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1cnn(C)c1N ZINC000148580835 544646506 /nfs/dbraw/zinc/64/65/06/544646506.db2.gz WPTUMLMVDCHKAP-WDEREUQCSA-N 1 0 277.372 0.701 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]2C(=O)NC)C1 ZINC000156494665 544678684 /nfs/dbraw/zinc/67/86/84/544678684.db2.gz HKPCRDMOZUVGBY-NWDGAFQWSA-N 1 0 282.388 0.391 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)NCC(C)(C)S(C)(=O)=O ZINC000136486755 544639261 /nfs/dbraw/zinc/63/92/61/544639261.db2.gz OTVSFTVSGHKMIJ-VIFPVBQESA-N 1 0 264.391 0.299 10 0 CCAERO CCC(=O)N1CCCN(C(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000136412858 544639474 /nfs/dbraw/zinc/63/94/74/544639474.db2.gz VDZWMJHTSWHQIY-GFCCVEGCSA-N 1 0 269.389 0.831 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000136390004 544639494 /nfs/dbraw/zinc/63/94/94/544639494.db2.gz GABYJYYHFGIGTF-LBPRGKRZSA-N 1 0 269.389 0.687 10 0 CCAERO COC1(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CCOCC1 ZINC000178911961 544748320 /nfs/dbraw/zinc/74/83/20/544748320.db2.gz WVHLFZKLEWEEMG-CYBMUJFWSA-N 1 0 297.399 0.672 10 0 CCAERO CNC(=O)[C@H]([NH2+]CC(=O)NCc1ccc(F)cc1)C(C)C ZINC000183680855 544770598 /nfs/dbraw/zinc/77/05/98/544770598.db2.gz SJEZEZXJZBRTEZ-CQSZACIVSA-N 1 0 295.358 0.802 10 0 CCAERO COC[C@@H]([NH2+]C[C@@H](O)CN1CCCC1=O)c1ccco1 ZINC000184590039 544774070 /nfs/dbraw/zinc/77/40/70/544774070.db2.gz CXTWHPSFBOORSG-VXGBXAGGSA-N 1 0 282.340 0.540 10 0 CCAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000223424810 544824299 /nfs/dbraw/zinc/82/42/99/544824299.db2.gz GQFXSIAHFKICES-FRRDWIJNSA-N 1 0 267.373 0.047 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCS(=O)(=O)C[C@H]1C ZINC000228742041 544844282 /nfs/dbraw/zinc/84/42/82/544844282.db2.gz PIIHWBPQTRRPTG-NXEZZACHSA-N 1 0 262.375 0.005 10 0 CCAERO COCCOC[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1CO ZINC000231312303 544859257 /nfs/dbraw/zinc/85/92/57/544859257.db2.gz HYTUEBILXPFJAQ-UPJWGTAASA-N 1 0 261.362 0.151 10 0 CCAERO C[C@@H]1CCNC(=O)[C@@H]1NC(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000408424699 287614840 /nfs/dbraw/zinc/61/48/40/287614840.db2.gz GXBUBQKGTUSHML-DDHJBXDOSA-N 1 0 282.388 0.293 10 0 CCAERO CS(=O)(=O)c1ccc(NC[C@@H]2COCC[NH2+]2)cc1 ZINC000235033220 544874373 /nfs/dbraw/zinc/87/43/73/544874373.db2.gz ARZCLASWAWNDRF-LLVKDONJSA-N 1 0 270.354 0.490 10 0 CCAERO CC[C@H](O)CN1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000245611919 544905361 /nfs/dbraw/zinc/90/53/61/544905361.db2.gz LOZQHDZUHKZGKK-BFHYXJOUSA-N 1 0 256.390 0.678 10 0 CCAERO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1COCCN1 ZINC000236754387 544885143 /nfs/dbraw/zinc/88/51/43/544885143.db2.gz BLQMTNPCLYTMFO-KBPBESRZSA-N 1 0 283.416 0.746 10 0 CCAERO CCCc1nsc(N2CCN(C)C[C@H]2C[NH3+])n1 ZINC000249721566 544920484 /nfs/dbraw/zinc/92/04/84/544920484.db2.gz IECGNBSGJKMVET-SECBINFHSA-N 1 0 255.391 0.570 10 0 CCAERO CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000250759896 544924712 /nfs/dbraw/zinc/92/47/12/544924712.db2.gz QJSFWDZYXNZEMC-YNEHKIRRSA-N 1 0 267.373 0.489 10 0 CCAERO CC[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000251685747 544927006 /nfs/dbraw/zinc/92/70/06/544927006.db2.gz PPFJPOFCXDTPMI-HBNTYKKESA-N 1 0 253.346 0.098 10 0 CCAERO CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC[NH2+][C@H]2C)C1 ZINC000252608063 544929623 /nfs/dbraw/zinc/92/96/23/544929623.db2.gz RZSMTBCTTBLGHA-MVWJERBFSA-N 1 0 253.346 0.112 10 0 CCAERO CC(C)Oc1cc(N2CCO[C@H]([C@H](C)[NH3+])C2)ncn1 ZINC000252690565 544930399 /nfs/dbraw/zinc/93/03/99/544930399.db2.gz VJMYVGVDPSURQP-QWRGUYRKSA-N 1 0 266.345 0.816 10 0 CCAERO C[C@H](NC(=O)[C@@H]1CCC[C@H]1C[NH3+])C(=O)NC(C)(C)C ZINC000252682202 544930511 /nfs/dbraw/zinc/93/05/11/544930511.db2.gz BQLNLRJBHMCUOT-GARJFASQSA-N 1 0 269.389 0.781 10 0 CCAERO CCOc1cccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262054358 544938248 /nfs/dbraw/zinc/93/82/48/544938248.db2.gz AJJZHJMUJVGBJB-YPMHNXCESA-N 1 0 264.325 0.395 10 0 CCAERO O=C(CCOc1ccccc1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262065544 544938288 /nfs/dbraw/zinc/93/82/88/544938288.db2.gz BEKXIEABQLBWCO-WCQYABFASA-N 1 0 264.325 0.152 10 0 CCAERO Cc1cccc(OCC(=O)NC[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000262097972 544939276 /nfs/dbraw/zinc/93/92/76/544939276.db2.gz DMJRVPUQPQTBTG-DGCLKSJQSA-N 1 0 264.325 0.070 10 0 CCAERO COc1cc(OC)c(OC)cc1CNC[C@H]1C[NH2+]C[C@@H]1O ZINC000262077166 544939613 /nfs/dbraw/zinc/93/96/13/544939613.db2.gz DJDLKGULMLTESS-RYUDHWBXSA-N 1 0 296.367 0.382 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(Cl)cc1F ZINC000262107044 544940360 /nfs/dbraw/zinc/94/03/60/544940360.db2.gz FDAIFQBHWDKQKN-RDDDGLTNSA-N 1 0 272.707 0.789 10 0 CCAERO Cc1cc(C)n2c(CNC[C@@H]3C[NH2+]C[C@H]3O)cnc2n1 ZINC000262143686 544942086 /nfs/dbraw/zinc/94/20/86/544942086.db2.gz PZUSOYANVQLZKW-DGCLKSJQSA-N 1 0 275.356 0.016 10 0 CCAERO CC(C)c1cc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)on1 ZINC000262133088 544942503 /nfs/dbraw/zinc/94/25/03/544942503.db2.gz GPUSEFIJSRJFKY-SCZZXKLOSA-N 1 0 253.302 0.108 10 0 CCAERO C[C@@H]1OCC[C@H]1NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000333745652 545042530 /nfs/dbraw/zinc/04/25/30/545042530.db2.gz RZSAOXDJGSOOHG-NWDGAFQWSA-N 1 0 271.361 0.185 10 0 CCAERO C[N@H+](C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000311507268 545012160 /nfs/dbraw/zinc/01/21/60/545012160.db2.gz GMHUFNQUUTWGTM-FRRDWIJNSA-N 1 0 290.429 0.503 10 0 CCAERO CCOc1cc(N2CCCO[C@H](C[NH3+])C2)nc(C)n1 ZINC000313353946 545013968 /nfs/dbraw/zinc/01/39/68/545013968.db2.gz MNNMWSGPNLMFRQ-LLVKDONJSA-N 1 0 266.345 0.738 10 0 CCAERO OC[C@@H]1C[N@H+](C[C@@H]2CCOc3ccccc32)C[C@@H]1O ZINC000317524190 545015628 /nfs/dbraw/zinc/01/56/28/545015628.db2.gz WDSBBNWAXWIAFW-OBJOEFQTSA-N 1 0 263.337 0.838 10 0 CCAERO Cn1cc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)nn1 ZINC000328876262 545019639 /nfs/dbraw/zinc/01/96/39/545019639.db2.gz KAMAHQRVLYJBLM-NSHDSACASA-N 1 0 273.344 0.364 10 0 CCAERO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2CCO[C@H]2C)[N@H+](C)C1 ZINC000332782173 545033327 /nfs/dbraw/zinc/03/33/27/545033327.db2.gz IREACUZQHXFPSY-CYDGBPFRSA-N 1 0 285.388 0.524 10 0 CCAERO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1COCCO1 ZINC000332797612 545033856 /nfs/dbraw/zinc/03/38/56/545033856.db2.gz MHPBTZFQSPLEAE-WCQYABFASA-N 1 0 268.357 0.535 10 0 CCAERO C[C@H](Cc1cnn(C)c1)NC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333660470 545041394 /nfs/dbraw/zinc/04/13/94/545041394.db2.gz WYLNGUCFGOFQPA-YPMHNXCESA-N 1 0 279.388 0.792 10 0 CCAERO COc1c(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c(C)nn1C ZINC000250112816 269758890 /nfs/dbraw/zinc/75/88/90/269758890.db2.gz TXZUDLRKJRSXCI-CABZTGNLSA-N 1 0 253.346 0.940 10 0 CCAERO COC[C@]1(C(=O)NC[C@H](O)C(C)(C)C)CC[NH2+]C1 ZINC000324613694 269761585 /nfs/dbraw/zinc/76/15/85/269761585.db2.gz NMUCVSOXFMQIBI-GWCFXTLKSA-N 1 0 258.362 0.136 10 0 CCAERO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCc2ccccc2CC1 ZINC000079572355 275006648 /nfs/dbraw/zinc/00/66/48/275006648.db2.gz UAAGXHHFUKJNAR-KGLIPLIRSA-N 1 0 260.337 0.337 10 0 CCAERO c1nnc2c(N3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)nccn12 ZINC000333842774 275078184 /nfs/dbraw/zinc/07/81/84/275078184.db2.gz LPZRCBAEYFICIY-NEPJUHHUSA-N 1 0 272.356 0.950 10 0 CCAERO CC(C)([NH3+])CNC(=O)N1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000335285962 275551352 /nfs/dbraw/zinc/55/13/52/275551352.db2.gz WDCOZUFNFCQBDH-MNOVXSKESA-N 1 0 267.373 0.934 10 0 CCAERO CC[NH+](CC)CCN1C[C@@H](OC)C[C@H]1C(=O)OC ZINC000245659143 276326577 /nfs/dbraw/zinc/32/65/77/276326577.db2.gz FFXTVYGUHYZDIX-RYUDHWBXSA-N 1 0 258.362 0.591 10 0 CCAERO CC(=O)N(C)CC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000046170447 276946943 /nfs/dbraw/zinc/94/69/43/276946943.db2.gz VIBQEDWPNKVTHL-AWEZNQCLSA-N 1 0 277.368 0.884 10 0 CCAERO CC(=O)NC[C@H]1CCC[N@@H+]([C@H]2CCCCNC2=O)C1 ZINC000245854905 277036953 /nfs/dbraw/zinc/03/69/53/277036953.db2.gz JXZAAGHSJFYFQG-OLZOCXBDSA-N 1 0 267.373 0.503 10 0 CCAERO CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000408143977 277052019 /nfs/dbraw/zinc/05/20/19/277052019.db2.gz FHQAGTSSCVQRDO-JLLWLGSASA-N 1 0 253.346 0.064 10 0 CCAERO COC(=O)CCC[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246548026 277055518 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C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)C(=O)N1CCC(C)CC1 ZINC000105870578 278376198 /nfs/dbraw/zinc/37/61/98/278376198.db2.gz WVPKMTRLZNGBEP-CHWSQXEVSA-N 1 0 291.399 0.830 10 0 CCAERO C[C@H]1OCCN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)[C@@H]1C ZINC000262131256 278515313 /nfs/dbraw/zinc/51/53/13/278515313.db2.gz GNTVKLLKXBYRCS-OXHZDVMGSA-N 1 0 292.383 0.359 10 0 CCAERO CCC[C@H](C(=O)N1CCO[C@]2(CCOC2)C1)[NH+](C)C ZINC000186078492 278919399 /nfs/dbraw/zinc/91/93/99/278919399.db2.gz OWKDEDXEWKGUCZ-TZMCWYRMSA-N 1 0 270.373 0.735 10 0 CCAERO Cc1cnn(C[C@H]2CN(C(=O)[C@]3(F)CC[NH2+]C3)CCO2)c1 ZINC000168259903 279033989 /nfs/dbraw/zinc/03/39/89/279033989.db2.gz HULDQWRPNXMHCK-OCCSQVGLSA-N 1 0 296.346 0.121 10 0 CCAERO C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000333635864 279051686 /nfs/dbraw/zinc/05/16/86/279051686.db2.gz TWOYQPSNICHMPV-WHOHXGKFSA-N 1 0 253.346 0.700 10 0 CCAERO CC[C@H](O)C[NH+]1CCN([C@@H](C)C(=O)NCCC(C)C)CC1 ZINC000174080747 288111856 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CC(C)NC(=O)NC(=O)[C@H](C)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000408021431 279589028 /nfs/dbraw/zinc/58/90/28/279589028.db2.gz IMXBZSWVWAAUDA-GRYCIOLGSA-N 1 0 284.404 0.491 10 0 CCAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCC[C@H](CO)CC1 ZINC000333688275 279879149 /nfs/dbraw/zinc/87/91/49/279879149.db2.gz PMLQFXHDFRDFFH-QWHCGFSZSA-N 1 0 269.389 0.933 10 0 CCAERO C[C@@H]1CN(CCN2C[C@H]3CCC[N@@H+]3C[C@H]2C)CCO1 ZINC000192740778 288175764 /nfs/dbraw/zinc/17/57/64/288175764.db2.gz MFGCCQBYNLZCKZ-RBSFLKMASA-N 1 0 267.417 0.876 10 0 CCAERO C[C@H]1C[C@H](C(=O)NC2(C[NH+](C)C)CCC2)CC(=O)N1 ZINC000408068856 279982753 /nfs/dbraw/zinc/98/27/53/279982753.db2.gz YFNYJNXIWSEKRQ-QWRGUYRKSA-N 1 0 267.373 0.502 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CCC(=O)NC1 ZINC000252674519 288310374 /nfs/dbraw/zinc/31/03/74/288310374.db2.gz RTSNAHFCSOFGSS-UTUOFQBUSA-N 1 0 265.357 0.208 10 0 CCAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)N(C)C ZINC000246797662 288317766 /nfs/dbraw/zinc/31/77/66/288317766.db2.gz 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OGXDTUIRANLNAO-WDEREUQCSA-N 1 0 256.346 0.426 10 0 CCAERO COCC[N@H+](CC1(CO)CCOCC1)[C@H](C)COC ZINC000052199834 523688081 /nfs/dbraw/zinc/68/80/81/523688081.db2.gz BMXMFOAXMSKMPR-CYBMUJFWSA-N 1 0 275.389 0.759 10 0 CCAERO CC[C@@]1(C(=O)N2CCCC[C@@H]2C(=O)NC)CC[NH2+]C1 ZINC000062895384 523691940 /nfs/dbraw/zinc/69/19/40/523691940.db2.gz FNHKYFVHKMGJKE-BXUZGUMPSA-N 1 0 267.373 0.503 10 0 CCAERO COCCNC(=O)[C@H](C)[NH2+][C@@H](C)CN1CCCC1 ZINC000049180452 523914608 /nfs/dbraw/zinc/91/46/08/523914608.db2.gz IKCMXHHMXKOJPV-RYUDHWBXSA-N 1 0 257.378 0.211 10 0 CCAERO COCC[NH2+]Cc1ccc(O[C@@H](C)C(N)=O)cc1 ZINC000062729052 523953463 /nfs/dbraw/zinc/95/34/63/523953463.db2.gz FJLVEEBCVFCBSD-JTQLQIEISA-N 1 0 252.314 0.675 10 0 CCAERO COCC[NH2+]Cc1cnc(N(C)CCOC)s1 ZINC000054909075 523957001 /nfs/dbraw/zinc/95/70/01/523957001.db2.gz OVZMILYDMHBROP-UHFFFAOYSA-N 1 0 259.375 0.962 10 0 CCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCCc2ccsc2)C1 ZINC000049184922 524009295 /nfs/dbraw/zinc/00/92/95/524009295.db2.gz 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MFINLMYILJJJND-UHFFFAOYSA-N 1 0 282.145 0.901 10 0 CCAERO O=C(c1cc[nH]c(=O)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000150899326 350486098 /nfs/dbraw/zinc/48/60/98/350486098.db2.gz CSOLYTLPUOGELW-GFCCVEGCSA-N 1 0 261.325 0.685 10 0 CCAERO CCS(=O)(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000151315621 350498652 /nfs/dbraw/zinc/49/86/52/350498652.db2.gz LDYUBNJIFLUFSI-LLVKDONJSA-N 1 0 278.418 0.361 10 0 CCAERO CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000153000500 350548757 /nfs/dbraw/zinc/54/87/57/350548757.db2.gz MVVQKFVOSULAIG-VXGBXAGGSA-N 1 0 283.372 0.723 10 0 CCAERO Cc1cccc2nc(CNC(=O)[C@@H]3CNC(=O)C3)cn21 ZINC000109307031 186246798 /nfs/dbraw/zinc/24/67/98/186246798.db2.gz ZQJLXTLCMBEBDP-JTQLQIEISA-N 1 0 272.308 0.395 10 0 CCAERO C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCCCC(=O)N2)CC[N@@H+]1C ZINC000248680195 297258430 /nfs/dbraw/zinc/25/84/30/297258430.db2.gz NVJULRXIGREGIO-FRRDWIJNSA-N 1 0 281.400 0.986 10 0 CCAERO C[NH+](C)C[C@@H](NC(=O)[C@H]1CCC(=O)N1)c1ccccc1 ZINC000111139827 186357916 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10 0 CCAERO C[C@H](CN1CCOCC1)[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000408099770 357919042 /nfs/dbraw/zinc/91/90/42/357919042.db2.gz PFSPAUPABVXFAQ-OLZOCXBDSA-N 1 0 279.388 0.705 10 0 CCAERO C[NH+](C)C[C@H]1CN(C(=O)NC[C@]2(C)CCOC2)CCO1 ZINC000408182323 357957015 /nfs/dbraw/zinc/95/70/15/357957015.db2.gz JDHMYLDDLKRQKR-JSGCOSHPSA-N 1 0 285.388 0.385 10 0 CCAERO CC(C)NC(=O)CN1CCC[C@](O)(C(F)(F)F)C1 ZINC000408188151 357959042 /nfs/dbraw/zinc/95/90/42/357959042.db2.gz CTNZPDXWFKHJKN-SNVBAGLBSA-N 1 0 268.279 0.900 10 0 CCAERO NC(=O)[C@@H]1CCCCN1C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000408214553 357975701 /nfs/dbraw/zinc/97/57/01/357975701.db2.gz OBTLKYMEMDZHAA-STQMWFEESA-N 1 0 279.384 0.727 10 0 CCAERO CC(=O)N[C@H]1CCCN(c2ccnc(N(C)C)n2)C1 ZINC000408217500 357976514 /nfs/dbraw/zinc/97/65/14/357976514.db2.gz FHZXLEOTHLGRKY-NSHDSACASA-N 1 0 263.345 0.648 10 0 CCAERO CC(C)n1cc(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000408232385 357983691 /nfs/dbraw/zinc/98/36/91/357983691.db2.gz NXWYMGYBWUEVBM-NSHDSACASA-N 1 0 286.401 0.789 10 0 CCAERO CCCNS(=O)(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000408233107 357984605 /nfs/dbraw/zinc/98/46/05/357984605.db2.gz RSXSJVGFARKVJJ-VXGBXAGGSA-N 1 0 275.418 0.789 10 0 CCAERO CC1(C)CCC[N@H+](CCNC(=O)[C@@H]2CNC(=O)C2)C1 ZINC000408278468 358005550 /nfs/dbraw/zinc/00/55/50/358005550.db2.gz FHGHRJSOSPADEL-NSHDSACASA-N 1 0 267.373 0.361 10 0 CCAERO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000408289371 358012640 /nfs/dbraw/zinc/01/26/40/358012640.db2.gz CQSRCZGXJOAKTL-KGYLQXTDSA-N 1 0 279.384 0.583 10 0 CCAERO CCn1cnc(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000408301295 358021176 /nfs/dbraw/zinc/02/11/76/358021176.db2.gz RBOJSQLCLHMBDD-NSHDSACASA-N 1 0 284.385 0.372 10 0 CCAERO CC[C@H]1CN(C(=O)C2(O)CCC2)CC[N@@H+]1C[C@H](C)O ZINC000408316265 358030107 /nfs/dbraw/zinc/03/01/07/358030107.db2.gz ANSQTEMQUGOCKN-RYUDHWBXSA-N 1 0 270.373 0.205 10 0 CCAERO C[C@H](C(=O)N1CCO[C@H](CO)C1)[NH+]1CCCCCC1 ZINC000408371139 358058241 /nfs/dbraw/zinc/05/82/41/358058241.db2.gz VPIJLXONJLIGFA-OLZOCXBDSA-N 1 0 270.373 0.471 10 0 CCAERO COC[C@@H]1CN(C(=O)[C@H](C)[NH3+])C[C@H]1C(F)(F)F ZINC000409433747 358112772 /nfs/dbraw/zinc/11/27/72/358112772.db2.gz NITAJJMGALTZCK-BIIVOSGPSA-N 1 0 254.252 0.617 10 0 CCAERO CN(C)[C@@H](C[NH3+])c1ccc(N2CCN(C)CC2)o1 ZINC000409441781 358114527 /nfs/dbraw/zinc/11/45/27/358114527.db2.gz QTGQXSRUGQADBS-NSHDSACASA-N 1 0 252.362 0.593 10 0 CCAERO c1nnc([C@H]2CCC[N@@H+](CCN3C[C@H]4CC[C@@H](C3)O4)C2)[nH]1 ZINC000329221926 202240841 /nfs/dbraw/zinc/24/08/41/202240841.db2.gz VMSURBVLWRQLFB-MELADBBJSA-N 1 0 291.399 0.847 10 0 CCAERO NC(=O)c1ccc(N2C[C@H]3C[NH2+][C@H]3C2)c2cc[nH]c21 ZINC000584619340 359181492 /nfs/dbraw/zinc/18/14/92/359181492.db2.gz KDRPQNRTZVDRRG-KCJUWKMLSA-N 1 0 256.309 0.675 10 0 CCAERO c1nn(-c2ccc(-n3cnnn3)cc2)c2c1C[NH2+]CC2 ZINC000584619709 359182288 /nfs/dbraw/zinc/18/22/88/359182288.db2.gz LJUHKSBXVAIEFA-UHFFFAOYSA-N 1 0 267.296 0.494 10 0 CCAERO Cc1cc(-c2ccccc2)cc(C)[n+]1C1=NNNN1 ZINC000584650394 359186663 /nfs/dbraw/zinc/18/66/63/359186663.db2.gz HUQCDYSHDUBCIY-UHFFFAOYSA-N 1 0 254.317 0.989 10 0 CCAERO C[C@H]1CN(C(=O)CCCNC(=O)C(C)(C)C)C[C@H]1[NH3+] ZINC000563116904 291195501 /nfs/dbraw/zinc/19/55/01/291195501.db2.gz PIAGNHNPSGQLMA-WDEREUQCSA-N 1 0 269.389 0.735 10 0 CCAERO CNC(=O)c1ccc(N2CC[C@@H](C)C[C@H]2C[NH3+])nn1 ZINC000261575661 283478870 /nfs/dbraw/zinc/47/88/70/283478870.db2.gz ZQUIPIZXDUUYEA-ZJUUUORDSA-N 1 0 263.345 0.400 10 0 CCAERO C[C@H]1C[N@@H+](C2CCN(C(=O)Cc3ccon3)CC2)CCO1 ZINC000329450985 202341454 /nfs/dbraw/zinc/34/14/54/202341454.db2.gz DRPKQQCSVCKESK-LBPRGKRZSA-N 1 0 293.367 0.929 10 0 CCAERO CCO[C@@]1(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)CCOC1 ZINC000621160560 366662774 /nfs/dbraw/zinc/66/27/74/366662774.db2.gz HBMFYGYYFPUVJV-OCCSQVGLSA-N 1 0 270.373 0.638 10 0 CCAERO COC(=O)[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000593911412 360206990 /nfs/dbraw/zinc/20/69/90/360206990.db2.gz BQRHBCDXQRXEES-WDEREUQCSA-N 1 0 254.330 0.398 10 0 CCAERO C[N@H+](CCNC(=O)[C@@H]1CNC(=O)C1)Cc1ccc(F)cc1 ZINC000177060478 189025286 /nfs/dbraw/zinc/02/52/86/189025286.db2.gz WQEXPVJWVFBUPU-LBPRGKRZSA-N 1 0 293.342 0.510 10 0 CCAERO Cc1ccncc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177689584 189063144 /nfs/dbraw/zinc/06/31/44/189063144.db2.gz AAIFGWIHLJPKLA-LBPRGKRZSA-N 1 0 288.351 0.635 10 0 CCAERO C[C@H]1OCC[C@H]1[NH2+]CCCS(=O)(=O)N(C)C ZINC000348185640 291232776 /nfs/dbraw/zinc/23/27/76/291232776.db2.gz BYEWLSVEVABZOG-NXEZZACHSA-N 1 0 250.364 0.035 10 0 CCAERO COc1ccc(OCCC[N@@H+]2C[C@H](O)C[C@@H]2CO)cc1 ZINC000179173402 189174261 /nfs/dbraw/zinc/17/42/61/189174261.db2.gz JNYHGRWDHMWNPC-CHWSQXEVSA-N 1 0 281.352 0.892 10 0 CCAERO CCn1cc(C(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000179342319 189187220 /nfs/dbraw/zinc/18/72/20/189187220.db2.gz QUMRKBPNNIPBJW-LBPRGKRZSA-N 1 0 276.340 0.392 10 0 CCAERO O=C(CSc1ccncc1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000564332024 291275603 /nfs/dbraw/zinc/27/56/03/291275603.db2.gz PESXVMVKUSMOJW-CHWSQXEVSA-N 1 0 293.392 0.763 10 0 CCAERO CC(C)(C(=O)NCC[C@@H]1CC1(F)F)N1CC[NH2+]CC1 ZINC000621671469 366827407 /nfs/dbraw/zinc/82/74/07/366827407.db2.gz UGWMUIPQMPYGEB-SNVBAGLBSA-N 1 0 275.343 0.832 10 0 CCAERO COC(=O)CCCC[N@H+](C)C[C@H]1CN(C)CCO1 ZINC000599290143 361636974 /nfs/dbraw/zinc/63/69/74/361636974.db2.gz QOZCMLZJEIBPIT-LBPRGKRZSA-N 1 0 258.362 0.592 10 0 CCAERO NC(=O)c1c[nH+]ccc1NC[C@H]1CN(C2CC2)CCO1 ZINC000302021401 201303006 /nfs/dbraw/zinc/30/30/06/201303006.db2.gz IGJWKNUYWQOMRH-NSHDSACASA-N 1 0 276.340 0.456 10 0 CCAERO NC(=O)c1c[nH+]ccc1NC[C@@H]1CN(C2CC2)CCO1 ZINC000302021399 201303260 /nfs/dbraw/zinc/30/32/60/201303260.db2.gz IGJWKNUYWQOMRH-LLVKDONJSA-N 1 0 276.340 0.456 10 0 CCAERO C[C@H]1CN(CC(=O)N2CCC(C)CC2)C[C@H]1C[NH3+] ZINC000631842878 370707354 /nfs/dbraw/zinc/70/73/54/370707354.db2.gz HAYIGEHJEVAHKJ-QWHCGFSZSA-N 1 0 253.390 0.772 10 0 CCAERO C[C@H]1CN(CC(=O)NC2CCCCC2)C[C@@H]1C[NH3+] ZINC000631843242 370707784 /nfs/dbraw/zinc/70/77/84/370707784.db2.gz LEBOFSXCSAIZAX-RYUDHWBXSA-N 1 0 253.390 0.962 10 0 CCAERO Cc1noc2ncc(C(=O)N3C[C@@H](C)[C@@H]([NH3+])C3)cc12 ZINC000564955875 291325577 /nfs/dbraw/zinc/32/55/77/291325577.db2.gz BOTNOGUGOHRLNH-HQJQHLMTSA-N 1 0 260.297 0.950 10 0 CCAERO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cnn2C)C[C@@H]1C[NH3+] ZINC000631965937 370793340 /nfs/dbraw/zinc/79/33/40/370793340.db2.gz KEMUOPXPISDQAY-SFYZADRCSA-N 1 0 292.792 0.289 10 0 CCAERO C[C@H]1CN(S(=O)(=O)c2cccnc2)C[C@@H]1C[NH3+] ZINC000631966510 370794477 /nfs/dbraw/zinc/79/44/77/370794477.db2.gz SPPLBBUNGJDCIA-UWVGGRQHSA-N 1 0 255.343 0.297 10 0 CCAERO [NH3+]CCN1CCCOC[C@H]1c1ccc(CCO)cc1 ZINC000616645829 365404150 /nfs/dbraw/zinc/40/41/50/365404150.db2.gz PNLDBNKTRHSMIO-HNNXBMFYSA-N 1 0 264.369 0.944 10 0 CCAERO OCCc1cccc([C@@H]2C[N@H+](CCO)CCCO2)c1 ZINC000616648844 365406941 /nfs/dbraw/zinc/40/69/41/365406941.db2.gz FHORUDNVQIEBGC-HNNXBMFYSA-N 1 0 265.353 0.977 10 0 CCAERO CC(C)(C)OC(=O)NC[C@H]1CN(CC[NH3+])CCCO1 ZINC000616651843 365409295 /nfs/dbraw/zinc/40/92/95/365409295.db2.gz AOFKUCCRNFBSMD-NSHDSACASA-N 1 0 273.377 0.561 10 0 CCAERO NC(=O)c1ccccc1[C@H]1COCCN(CC[NH3+])C1 ZINC000616596130 365377434 /nfs/dbraw/zinc/37/74/34/365377434.db2.gz YPSZOCGNUPTPBU-LLVKDONJSA-N 1 0 263.341 0.160 10 0 CCAERO NC(=O)c1cccc([C@H]2CN(CC[NH3+])CCCO2)c1 ZINC000616598544 365378557 /nfs/dbraw/zinc/37/85/57/365378557.db2.gz NGMMGKGHGCSXOD-CYBMUJFWSA-N 1 0 263.341 0.508 10 0 CCAERO OCCN1CC[NH2+][C@@H](c2cccc3nnccc32)C1 ZINC000616600400 365381040 /nfs/dbraw/zinc/38/10/40/365381040.db2.gz ISLQWHDKJCZZJZ-CQSZACIVSA-N 1 0 258.325 0.568 10 0 CCAERO NS(=O)(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000616600931 365381370 /nfs/dbraw/zinc/38/13/70/365381370.db2.gz JZSYSBSLVLUSGH-JTQLQIEISA-N 1 0 275.761 0.490 10 0 CCAERO O=C(NC1C[NH2+]C1)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000335380685 283940919 /nfs/dbraw/zinc/94/09/19/283940919.db2.gz VZLDXZAPWYAPJT-SNVBAGLBSA-N 1 0 281.278 0.447 10 0 CCAERO Cn1ncc(Br)c1C[NH2+][C@@H]1CCOC[C@@H]1O ZINC000623766592 367651840 /nfs/dbraw/zinc/65/18/40/367651840.db2.gz ISGAGOZFQNVYOJ-SCZZXKLOSA-N 1 0 290.161 0.422 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)[C@@H]1SCCc2sccc21 ZINC000262240242 283984748 /nfs/dbraw/zinc/98/47/48/283984748.db2.gz KWODGONJWLBZLE-MKPLZMMCSA-N 1 0 298.433 0.775 10 0 CCAERO CN(C(=O)[C@H]1CCCS1(=O)=O)[C@@H]1CCC[NH2+]CC1 ZINC000566471965 291414942 /nfs/dbraw/zinc/41/49/42/291414942.db2.gz VMDJPKXSLFZHGX-GHMZBOCLSA-N 1 0 274.386 0.164 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)C1CCC(F)(F)CC1 ZINC000335501553 212181830 /nfs/dbraw/zinc/18/18/30/212181830.db2.gz DLOJZVMHPOPWNA-UWVGGRQHSA-N 1 0 262.300 0.508 10 0 CCAERO C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCOC[C@H]2O)cc1 ZINC000629230950 369588929 /nfs/dbraw/zinc/58/89/29/369588929.db2.gz MWARVTLLTJFBQH-UONOGXRCSA-N 1 0 278.352 0.628 10 0 CCAERO Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCOC[C@@H]2O)cc1 ZINC000629610354 369739901 /nfs/dbraw/zinc/73/99/01/369739901.db2.gz MJQBJUOYMDSJFM-YUELXQCFSA-N 1 0 281.352 0.474 10 0 CCAERO CO[C@@H]1CN(CC(=O)NC2CCCC2)[C@@](C)(C[NH3+])C1 ZINC000630355171 370058117 /nfs/dbraw/zinc/05/81/17/370058117.db2.gz FLFCCHZWEQREHY-GXTWGEPZSA-N 1 0 269.389 0.483 10 0 CCAERO CO[C@@H]1CN(S(=O)(=O)c2cccs2)[C@](C)(C[NH3+])C1 ZINC000630359344 370061925 /nfs/dbraw/zinc/06/19/25/370061925.db2.gz CJTJQJMKRUDIQJ-ONGXEEELSA-N 1 0 290.410 0.875 10 0 CCAERO CCCCN(C)S(=O)(=O)N1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630359691 370062091 /nfs/dbraw/zinc/06/20/91/370062091.db2.gz MVRKHYGYWVJPRX-NWDGAFQWSA-N 1 0 293.433 0.401 10 0 CCAERO CO[C@@H]1CN(CC(=O)N2CCCC[C@@H]2C)[C@@](C)(C[NH3+])C1 ZINC000630358929 370062281 /nfs/dbraw/zinc/06/22/81/370062281.db2.gz CXTFKRBHXJSAPS-KCQAQPDRSA-N 1 0 283.416 0.826 10 0 CCAERO CCCS(=O)(=O)N1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630359228 370062394 /nfs/dbraw/zinc/06/23/94/370062394.db2.gz LOLJHNYAFYAEFB-UWVGGRQHSA-N 1 0 250.364 0.164 10 0 CCAERO CO[C@H]1CN(Cc2nnn(C(C)(C)C)n2)[C@](C)(C[NH3+])C1 ZINC000630364523 370065427 /nfs/dbraw/zinc/06/54/27/370065427.db2.gz FCAZGEBMYFDZSQ-MFKMUULPSA-N 1 0 282.392 0.366 10 0 CCAERO CO[C@@H]1CN(Cc2cn3cccnc3n2)[C@](C)(C[NH3+])C1 ZINC000630366544 370067620 /nfs/dbraw/zinc/06/76/20/370067620.db2.gz MGAPEHMQYANBHN-JSGCOSHPSA-N 1 0 275.356 0.667 10 0 CCAERO CO[C@H]1CN(CCCc2cncn2C)[C@@](C)(C[NH3+])C1 ZINC000630369623 370070982 /nfs/dbraw/zinc/07/09/82/370070982.db2.gz WZPRJMDZYVEBRN-ZIAGYGMSSA-N 1 0 266.389 0.791 10 0 CCAERO CO[C@@H]1CN(C(=O)c2cnccn2)[C@@](C)(C[NH3+])C1 ZINC000630370591 370072067 /nfs/dbraw/zinc/07/20/67/370072067.db2.gz GARXYHIFRVKUJX-JOYOIKCWSA-N 1 0 250.302 0.055 10 0 CCAERO CO[C@@H]1CN(C(=O)CCc2cccnc2)[C@@](C)(C[NH3+])C1 ZINC000630372701 370074309 /nfs/dbraw/zinc/07/43/09/370074309.db2.gz RJMBBINIXMPLOF-DZGCQCFKSA-N 1 0 277.368 0.979 10 0 CCAERO CO[C@H]1CN(C(=O)c2ocnc2C)[C@@](C)(C[NH3+])C1 ZINC000630374865 370076290 /nfs/dbraw/zinc/07/62/90/370076290.db2.gz PHMKYOPVQIWWSB-BXKDBHETSA-N 1 0 253.302 0.561 10 0 CCAERO CO[C@@H]1CN(C(=O)CC2(OC)CCC2)[C@@](C)(C[NH3+])C1 ZINC000630376461 370079613 /nfs/dbraw/zinc/07/96/13/370079613.db2.gz XCAIBTILUXHRPJ-WCQYABFASA-N 1 0 270.373 0.910 10 0 CCAERO CCNC(=O)c1ccc(N2C[C@@H](C)[C@@H](C[NH3+])C2)nn1 ZINC000630385207 370087648 /nfs/dbraw/zinc/08/76/48/370087648.db2.gz COLMDVJEZQSTNA-ZJUUUORDSA-N 1 0 263.345 0.257 10 0 CCAERO C[C@H]1CN(c2ccc(C(=O)N(C)C)nn2)C[C@H]1C[NH3+] ZINC000630385760 370088205 /nfs/dbraw/zinc/08/82/05/370088205.db2.gz PUZYACOMSOMJBN-VHSXEESVSA-N 1 0 263.345 0.209 10 0 CCAERO Cc1ccc(NC(=O)C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000630582979 370186238 /nfs/dbraw/zinc/18/62/38/370186238.db2.gz ZWJLPWZLCVHYLC-NWDGAFQWSA-N 1 0 275.352 0.987 10 0 CCAERO C[NH2+]CCOCCN(C)c1ncccc1S(C)(=O)=O ZINC000630529154 370148402 /nfs/dbraw/zinc/14/84/02/370148402.db2.gz SNCMPUWOVUWLJD-UHFFFAOYSA-N 1 0 287.385 0.157 10 0 CCAERO Cc1nc(N[C@@H]2CC[C@H](C)[NH2+]C2)sc1S(N)(=O)=O ZINC000630533745 370154014 /nfs/dbraw/zinc/15/40/14/370154014.db2.gz QQMMDIJFXBRWQK-POYBYMJQSA-N 1 0 290.414 0.651 10 0 CCAERO 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390493535 /nfs/dbraw/zinc/49/35/35/390493535.db2.gz PZDPSPPZCUPQJA-RYUDHWBXSA-N 1 0 251.374 0.681 10 0 CCAERO CCCN(CC(F)F)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000643671239 390496694 /nfs/dbraw/zinc/49/66/94/390496694.db2.gz PLNIMOFWEXPYHU-VIFPVBQESA-N 1 0 250.289 0.726 10 0 CCAERO COCC1CCN(C(=O)[C@@]2(COC)CCC[NH2+]2)CC1 ZINC000643680882 390498491 /nfs/dbraw/zinc/49/84/91/390498491.db2.gz UVBZBWACDIWJOD-AWEZNQCLSA-N 1 0 270.373 0.640 10 0 CCAERO COC[C@]1(C(=O)N(C)C[C@H]2CCCOC2)CCC[NH2+]1 ZINC000643687223 390499543 /nfs/dbraw/zinc/49/95/43/390499543.db2.gz DPXYVEQNQINWLQ-OCCSQVGLSA-N 1 0 270.373 0.640 10 0 CCAERO COC[C@]1(C(=O)NC[C@H](O)CC(C)(C)C)CCC[NH2+]1 ZINC000643706292 390507648 /nfs/dbraw/zinc/50/76/48/390507648.db2.gz RKUWSSGLKHMCEP-RISCZKNCSA-N 1 0 272.389 0.668 10 0 CCAERO COC[C@@]1(C(=O)N(C)CCOCC2CC2)CCC[NH2+]1 ZINC000643726589 390518556 /nfs/dbraw/zinc/51/85/56/390518556.db2.gz VQUFBCJCMYCACX-CQSZACIVSA-N 1 0 270.373 0.640 10 0 CCAERO COC[C@]1(C(=O)NC[C@H](C)C[C@H](C)O)CCC[NH2+]1 ZINC000643711674 390511018 /nfs/dbraw/zinc/51/10/18/390511018.db2.gz ZRSZCYPLWNRJCE-MDZLAQPJSA-N 1 0 258.362 0.278 10 0 CCAERO COC[C@@]1(C(=O)N2CC[C@]3(CCOC3)C2)CCC[NH2+]1 ZINC000643726316 390518758 /nfs/dbraw/zinc/51/87/58/390518758.db2.gz NXFKQEPUCYLBCN-UONOGXRCSA-N 1 0 268.357 0.394 10 0 CCAERO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)C[C@@H]1[NH3+] ZINC000643600374 390465976 /nfs/dbraw/zinc/46/59/76/390465976.db2.gz ODBCOKWIJYDNRL-WOPDTQHZSA-N 1 0 281.400 0.829 10 0 CCAERO O=C([C@@H]1C[NH2+]CCOC1)N1CCc2ccccc2C1 ZINC000643614403 390468636 /nfs/dbraw/zinc/46/86/36/390468636.db2.gz VEVWJTDPXMDSCQ-CQSZACIVSA-N 1 0 260.337 0.807 10 0 CCAERO COc1ccccc1NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000643614592 390469369 /nfs/dbraw/zinc/46/93/69/390469369.db2.gz DBVSWEGMYDUSHS-JTQLQIEISA-N 1 0 250.298 0.870 10 0 CCAERO CCc1nnc(NC(=O)[C@@H]2C[NH2+]CCOC2)s1 ZINC000643616475 390471210 /nfs/dbraw/zinc/47/12/10/390471210.db2.gz WHFRDUUGUYDZEF-SSDOTTSWSA-N 1 0 256.331 0.275 10 0 CCAERO COCCC1(C(=O)N[C@@H](C)COC)CC[NH2+]CC1 ZINC000643617353 390472474 /nfs/dbraw/zinc/47/24/74/390472474.db2.gz ZRKYDFLXRTYDJT-NSHDSACASA-N 1 0 258.362 0.544 10 0 CCAERO O=C(Nc1ccc(CCO)cc1)[C@H]1C[NH2+]CCOC1 ZINC000643628218 390478390 /nfs/dbraw/zinc/47/83/90/390478390.db2.gz CYQFTDRWXYQYGO-LBPRGKRZSA-N 1 0 264.325 0.396 10 0 CCAERO Cc1ccsc1CNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643629022 390479813 /nfs/dbraw/zinc/47/98/13/390479813.db2.gz IODZCJFZWKUGKD-SNVBAGLBSA-N 1 0 254.355 0.909 10 0 CCAERO O=C(Nc1ccc2nccnc2c1)[C@H]1C[NH2+]CCOC1 ZINC000643629937 390480400 /nfs/dbraw/zinc/48/04/00/390480400.db2.gz IDZLGLIRICIBLZ-JTQLQIEISA-N 1 0 272.308 0.804 10 0 CCAERO O=C([C@H]1CC[NH2+]C1)N1CCO[C@H](C(F)(F)F)C1 ZINC000646054180 390586674 /nfs/dbraw/zinc/58/66/74/390586674.db2.gz NSENZTOSOYNQEK-YUMQZZPRSA-N 1 0 252.236 0.386 10 0 CCAERO O=C([C@@H]1C[NH2+]CCOC1)N1CCC[C@@H]1c1cccnc1 ZINC000643767641 390538122 /nfs/dbraw/zinc/53/81/22/390538122.db2.gz DLXZUSAUHZUVDQ-ZIAGYGMSSA-N 1 0 275.352 0.981 10 0 CCAERO CCOC[C@@H](NC(=O)[C@H]1C[NH2+]CCOC1)C(C)C ZINC000643781045 390546958 /nfs/dbraw/zinc/54/69/58/390546958.db2.gz FEEVUAAYYBODAR-NWDGAFQWSA-N 1 0 258.362 0.400 10 0 CCAERO COC[C@]1(C(=O)NCCc2csc(C)n2)CCC[NH2+]1 ZINC000649284898 390549605 /nfs/dbraw/zinc/54/96/05/390549605.db2.gz JTYHAWVDSLXJDE-ZDUSSCGKSA-N 1 0 283.397 0.879 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CCN(C(C)C)C1=O ZINC000645996329 390562780 /nfs/dbraw/zinc/56/27/80/390562780.db2.gz VGXOGFHZJLGZGJ-MNOVXSKESA-N 1 0 255.362 0.485 10 0 CCAERO COC[C@]1(C(=O)NCCCCn2ccnc2)CCC[NH2+]1 ZINC000649303073 390563176 /nfs/dbraw/zinc/56/31/76/390563176.db2.gz SEPFOIOXCOJWAI-AWEZNQCLSA-N 1 0 280.372 0.548 10 0 CCAERO Cn1cncc1CC[NH2+][C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 ZINC000643960059 390607820 /nfs/dbraw/zinc/60/78/20/390607820.db2.gz MZSOJUYGKLRBQA-ZNMIVQPWSA-N 1 0 278.400 0.540 10 0 CCAERO CC(C)CN1C[C@@H](C(=O)NCC[C@@H](C)[NH3+])CC1=O ZINC000646678731 390707969 /nfs/dbraw/zinc/70/79/69/390707969.db2.gz GQRNYZFAFPFRSI-MNOVXSKESA-N 1 0 255.362 0.344 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CCn1ccccc1=O ZINC000647017514 390758057 /nfs/dbraw/zinc/75/80/57/390758057.db2.gz LQBNFDDYWRHXFX-NWDGAFQWSA-N 1 0 263.341 0.495 10 0 CCAERO COc1cccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1F ZINC000647038977 390763089 /nfs/dbraw/zinc/76/30/89/390763089.db2.gz ZYYNWPHADMRJIH-SCZZXKLOSA-N 1 0 268.288 0.144 10 0 CCAERO C[C@@H]1C(=O)NCCCN1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000191449113 130237803 /nfs/dbraw/zinc/23/78/03/130237803.db2.gz OBEPXXBAGRERRH-VXGBXAGGSA-N 1 0 294.399 0.391 10 0 CCAERO O=C(c1cc(OCC(F)F)ccn1)N1CC[NH2+]CC1 ZINC000237781941 131056667 /nfs/dbraw/zinc/05/66/67/131056667.db2.gz DLLCMASRRSOSFO-UHFFFAOYSA-N 1 0 271.267 0.771 10 0 CCAERO [NH3+]CCNC(=O)CCCc1ccc2c(c1)CC(=O)N2 ZINC000237867985 131062831 /nfs/dbraw/zinc/06/28/31/131062831.db2.gz CZVKFKXDNRQEHR-UHFFFAOYSA-N 1 0 261.325 0.579 10 0 CCAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NC[C@H]1CCOC1 ZINC000253204080 131140901 /nfs/dbraw/zinc/14/09/01/131140901.db2.gz DQMOVJNKZVGBHN-ZAZJYDDPSA-N 1 0 282.384 0.672 10 0 CCAERO C[C@@H]1CN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C[C@H](C)O1 ZINC000261944392 131179596 /nfs/dbraw/zinc/17/95/96/131179596.db2.gz NKNRTOKFQFYBJI-WVWOOGAGSA-N 1 0 292.383 0.359 10 0 CCAERO C[C@H](C[NH3+])C(=O)N1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000262366657 131215196 /nfs/dbraw/zinc/21/51/96/131215196.db2.gz LCYXPJSEFKEGJO-IJLUTSLNSA-N 1 0 298.408 0.994 10 0 CCAERO C[C@@H]([NH3+])C(=O)NCc1ccnc(OC2CCOCC2)c1 ZINC000262710242 131254412 /nfs/dbraw/zinc/25/44/12/131254412.db2.gz PVIVVFAABFDENS-SNVBAGLBSA-N 1 0 279.340 0.603 10 0 CCAERO Cc1cnc(C)c(N2CCO[C@@H](C[NH+](C)C)C2)n1 ZINC000273866388 292887237 /nfs/dbraw/zinc/88/72/37/292887237.db2.gz NKJDWVLVHZJYOY-LBPRGKRZSA-N 1 0 250.346 0.860 10 0 CCAERO c1cnn(-c2cncc(N3CC[C@@H]4[NH2+]CC[C@H]4C3)n2)c1 ZINC000333921689 285556462 /nfs/dbraw/zinc/55/64/62/285556462.db2.gz QWCOEEQJHLBDRI-RYUDHWBXSA-N 1 0 270.340 0.851 10 0 CCAERO C[C@@H]1CN(c2ncnc3nc(N)ccc32)[C@@H](C)C[N@@H+]1C ZINC000408434360 297086400 /nfs/dbraw/zinc/08/64/00/297086400.db2.gz GCLYSRPILNEXHG-ZJUUUORDSA-N 1 0 272.356 0.966 10 0 CCAERO C[C@H]([NH2+]CC(=O)NC1CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000034979747 397375382 /nfs/dbraw/zinc/37/53/82/397375382.db2.gz GYRSYNOEADYJCD-VIFPVBQESA-N 1 0 297.380 0.263 10 0 CCAERO CSCC[NH2+][C@@H]1CCN(S(C)(=O)=O)C[C@@H]1C ZINC000309932362 397448275 /nfs/dbraw/zinc/44/82/75/397448275.db2.gz YMUOPSMMQAYDDR-VHSXEESVSA-N 1 0 266.432 0.609 10 0 CCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2Cc3ccccc32)C1 ZINC000040633776 397392876 /nfs/dbraw/zinc/39/28/76/397392876.db2.gz MNZSXWJVIKXWQX-OUCADQQQSA-N 1 0 260.337 0.819 10 0 CCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2csc(C)n2)C1 ZINC000041011237 397395330 /nfs/dbraw/zinc/39/53/30/397395330.db2.gz BBLVZZARDIATSJ-NXEZZACHSA-N 1 0 255.343 0.445 10 0 CCAERO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C2=NNC(=O)CC2)C1 ZINC000370138035 144291698 /nfs/dbraw/zinc/29/16/98/144291698.db2.gz JMLOMWWDSASBSD-NXEZZACHSA-N 1 0 266.345 0.241 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)Cc1nnc2n1CCC2 ZINC000384379026 397495655 /nfs/dbraw/zinc/49/56/55/397495655.db2.gz KURHJWLHGYMRGA-WDEREUQCSA-N 1 0 277.372 0.571 10 0 CCAERO CN(C)C(=O)c1ccc(NCCC2(C[NH3+])CC2)nc1 ZINC000395861830 397520446 /nfs/dbraw/zinc/52/04/46/397520446.db2.gz TVSXROMLBLJYSK-UHFFFAOYSA-N 1 0 262.357 0.746 10 0 CCAERO CNC(=O)c1ccc(=NCCC2CC[NH2+]CC2)[nH]n1 ZINC000650311163 397712653 /nfs/dbraw/zinc/71/26/53/397712653.db2.gz PXROLOGFCDHGFK-UHFFFAOYSA-N 1 0 263.345 0.060 10 0 CCAERO CCO[C@@H]1C[C@H](NC(=O)N2CC[NH2+]C[C@H]2C)[C@@]12CCCO2 ZINC000333711514 286352268 /nfs/dbraw/zinc/35/22/68/286352268.db2.gz FNAJCMHTYAASAF-COMQUAJESA-N 1 0 297.399 0.716 10 0 CCAERO C[C@H](C(=O)NCC(F)(F)F)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193657646 298148754 /nfs/dbraw/zinc/14/87/54/298148754.db2.gz NKYVOSDJQMQMOL-BBBLOLIVSA-N 1 0 279.306 0.547 10 0 CCAERO C[NH2+]CCc1ccccc1C(=O)N[C@@H]1CCNC1=O ZINC000659328463 413418873 /nfs/dbraw/zinc/41/88/73/413418873.db2.gz GNNFDTUHLPXUNI-GFCCVEGCSA-N 1 0 261.325 0.067 10 0 CCAERO COC[C@@]1(C(=O)NC[C@]2(C)CC2(F)F)CCC[NH2+]1 ZINC000659362088 413447454 /nfs/dbraw/zinc/44/74/54/413447454.db2.gz ODIMMYNEUOTUIK-WDEREUQCSA-N 1 0 262.300 0.917 10 0 CCAERO C[C@@H](c1nnnn1C)N1CCC([NH+]2CCCC2)CC1 ZINC000188770314 287163169 /nfs/dbraw/zinc/16/31/69/287163169.db2.gz ROKDWIOUWXGWCU-NSHDSACASA-N 1 0 264.377 0.831 10 0 CCAERO CC[C@@H]1CN(CCCNC(C)=O)CC[N@@H+]1C[C@@H](C)O ZINC000105827762 287193451 /nfs/dbraw/zinc/19/34/51/287193451.db2.gz DZQLARYAKOSDNW-TZMCWYRMSA-N 1 0 271.405 0.290 10 0 CCAERO [NH3+]Cc1cn(CC(=O)Nc2nc3c(s2)CCC3)nn1 ZINC000123104069 411711478 /nfs/dbraw/zinc/71/14/78/411711478.db2.gz AESYIUXRPRVYLX-UHFFFAOYSA-N 1 0 278.341 0.321 10 0 CCAERO CCO[C@@H]1CCCN(C(=O)C2([NH3+])CCOCC2)C1 ZINC000127889331 411717110 /nfs/dbraw/zinc/71/71/10/411717110.db2.gz GJMVGCATAMXTES-LLVKDONJSA-N 1 0 256.346 0.522 10 0 CCAERO Cc1ccc(NC(=O)Cn2cc(C[NH3+])nn2)c(C)c1 ZINC000050224749 411676757 /nfs/dbraw/zinc/67/67/57/411676757.db2.gz JRICXMHCAYDSRJ-UHFFFAOYSA-N 1 0 259.313 0.992 10 0 CCAERO O=C(CC1CC[NH2+]CC1)N1CC[C@H](N2CCOCC2)C1 ZINC000062976681 411686576 /nfs/dbraw/zinc/68/65/76/411686576.db2.gz PCQZPXMKZYLYII-AWEZNQCLSA-N 1 0 281.400 0.309 10 0 CCAERO CC(C)([NH3+])CCC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000070088483 411690577 /nfs/dbraw/zinc/69/05/77/411690577.db2.gz OOHJSOCAULWHEY-GFCCVEGCSA-N 1 0 269.389 0.437 10 0 CCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000111268033 411701435 /nfs/dbraw/zinc/70/14/35/411701435.db2.gz CSAPQLQGHVTLLD-HZSPNIEDSA-N 1 0 281.400 0.165 10 0 CCAERO CC1(C)[C@H]([NH2+]CC[C@]2(O)CCOC2)[C@H]2CCO[C@H]21 ZINC000404149202 411792061 /nfs/dbraw/zinc/79/20/61/411792061.db2.gz NXMNQMWFBWEECI-BYNQJWBRSA-N 1 0 255.358 0.931 10 0 CCAERO COC[C@]1(C(=O)N[C@H]2CCC[C@H](O)C2)CC[NH2+]C1 ZINC000311109429 411749787 /nfs/dbraw/zinc/74/97/87/411749787.db2.gz UVCJXQORGDWFRP-GVXVVHGQSA-N 1 0 256.346 0.032 10 0 CCAERO Cc1nnc2c(N3C[C@@H]4CCC[C@]4(C[NH3+])C3)nccn12 ZINC000312661208 411753297 /nfs/dbraw/zinc/75/32/97/411753297.db2.gz HIOZOGRIFFITHE-FZMZJTMJSA-N 1 0 272.356 0.998 10 0 CCAERO C[C@@H](NC(=O)C1(C)C[NH2+]C1)c1ccc(S(C)(=O)=O)cc1 ZINC000399231063 411775001 /nfs/dbraw/zinc/77/50/01/411775001.db2.gz GCYPRUXFLIXYFX-SNVBAGLBSA-N 1 0 296.392 0.877 10 0 CCAERO [NH3+]CC1(C(=O)NCC2(CO)CCCCC2)CCOCC1 ZINC000130967559 411723632 /nfs/dbraw/zinc/72/36/32/411723632.db2.gz CBZRXOAKFMQROX-UHFFFAOYSA-N 1 0 284.400 0.801 10 0 CCAERO CC(C)Oc1cc(N2CCO[C@@H]([C@@H](C)[NH3+])C2)ncn1 ZINC000132892829 411728272 /nfs/dbraw/zinc/72/82/72/411728272.db2.gz VJMYVGVDPSURQP-GHMZBOCLSA-N 1 0 266.345 0.816 10 0 CCAERO CCO[C@@H]1CN(c2cc(C)nc3ncnn32)C[C@H]1C[NH3+] ZINC000405846714 411802986 /nfs/dbraw/zinc/80/29/86/411802986.db2.gz HUXCHBGWOWFEAP-GHMZBOCLSA-N 1 0 276.344 0.233 10 0 CCAERO OCc1ccc(C[N@@H+]2CC[C@@](O)(c3cn[nH]n3)C2)cc1 ZINC000284473145 196064540 /nfs/dbraw/zinc/06/45/40/196064540.db2.gz AKPCEXVWUPPIPT-AWEZNQCLSA-N 1 0 274.324 0.391 10 0 CCAERO C[C@@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1ccccc1 ZINC000019478303 170808757 /nfs/dbraw/zinc/80/87/57/170808757.db2.gz XIAGQFRSENRPDA-PWSUYJOCSA-N 1 0 284.381 0.626 10 0 CCAERO C[NH2+]C[C@H](O)CS(=O)(=O)c1cc(C)ccc1OC ZINC000019685829 170840374 /nfs/dbraw/zinc/84/03/74/170840374.db2.gz HBZVXUQXMZSEHN-JTQLQIEISA-N 1 0 273.354 0.358 10 0 CCAERO C[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000020188198 171053312 /nfs/dbraw/zinc/05/33/12/171053312.db2.gz ANXGDXZTHLYXNE-UHFFFAOYSA-N 1 0 270.354 0.427 10 0 CCAERO Cc1ccccc1[C@H](C[NH3+])N1CCN(CCO)CC1 ZINC000020225429 171088576 /nfs/dbraw/zinc/08/85/76/171088576.db2.gz PIZJEHDOYRJLLY-HNNXBMFYSA-N 1 0 263.385 0.605 10 0 CCAERO Cc1c(C(=O)NCC[C@H]2CCCC[NH2+]2)cnn1C ZINC000020251969 171104517 /nfs/dbraw/zinc/10/45/17/171104517.db2.gz OYNZHDHBRLALCF-LLVKDONJSA-N 1 0 250.346 0.991 10 0 CCAERO CCN(c1ccccc1OC)S(=O)(=O)CC[NH3+] ZINC000020261844 171118754 /nfs/dbraw/zinc/11/87/54/171118754.db2.gz RXXSHRLDYOZODX-UHFFFAOYSA-N 1 0 258.343 0.810 10 0 CCAERO COc1ccc(OC)c(N(C)S(=O)(=O)CC[NH3+])c1 ZINC000020261652 171119035 /nfs/dbraw/zinc/11/90/35/171119035.db2.gz UCEYYSVMZYWENU-UHFFFAOYSA-N 1 0 274.342 0.429 10 0 CCAERO CCc1cc(S(=O)(=O)NC)ccc1OCC[NH3+] ZINC000020267887 171123872 /nfs/dbraw/zinc/12/38/72/171123872.db2.gz XBXAFWRCUDRSML-UHFFFAOYSA-N 1 0 258.343 0.495 10 0 CCAERO CC[NH+](CC)CCCN[C@@H](C)C(=O)NC(=O)NC ZINC000020303230 171140224 /nfs/dbraw/zinc/14/02/24/171140224.db2.gz IWDFCYANQXEQPC-JTQLQIEISA-N 1 0 258.366 0.152 10 0 CCAERO C[C@H]([NH2+][C@@H]1CN2CCC1CC2)C(=O)NC(C)(C)C ZINC000020358423 171157660 /nfs/dbraw/zinc/15/76/60/171157660.db2.gz XJTKQPKKOAXTNT-CMPLNLGQSA-N 1 0 253.390 0.973 10 0 CCAERO O=C(NCCc1ccc(F)cc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000020433944 171198968 /nfs/dbraw/zinc/19/89/68/171198968.db2.gz HTSFXVSWVVLVBT-RYUDHWBXSA-N 1 0 252.289 0.207 10 0 CCAERO COc1cc(N)c(C(=O)NCC[NH+](C)C)cc1OC ZINC000021961449 171342842 /nfs/dbraw/zinc/34/28/42/171342842.db2.gz IFYLBQMHMXFBNB-UHFFFAOYSA-N 1 0 267.329 0.577 10 0 CCAERO CN1CCN(CC(=O)Nc2ccccc2C[NH3+])CC1 ZINC000022153812 171360862 /nfs/dbraw/zinc/36/08/62/171360862.db2.gz ARDQVYIAWBKNLZ-UHFFFAOYSA-N 1 0 262.357 0.331 10 0 CCAERO O=C(NC[C@@H]1CCCOC1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653074315 412210720 /nfs/dbraw/zinc/21/07/20/412210720.db2.gz DIFHSWUCVIUNTQ-IVZWLZJFSA-N 1 0 280.290 0.927 10 0 CCAERO O=C(CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)NCC1CC1 ZINC000653158824 412246292 /nfs/dbraw/zinc/24/62/92/412246292.db2.gz MUFGZDUZHUDVFN-RKDXNWHRSA-N 1 0 293.289 0.027 10 0 CCAERO O=C([C@@H]1C[C@@H]2C=C[C@H]1CC2)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000653165087 412249449 /nfs/dbraw/zinc/24/94/49/412249449.db2.gz MQCDHYQVLLUKAD-XHJNMGKDSA-N 1 0 262.353 0.788 10 0 CCAERO CC(C)NC(=O)C[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC000035140963 172008170 /nfs/dbraw/zinc/00/81/70/172008170.db2.gz CIQLPIYNSPDUSK-NSHDSACASA-N 1 0 255.362 0.502 10 0 CCAERO COCCNC(=O)[C@@H](C)[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000035139568 172008422 /nfs/dbraw/zinc/00/84/22/172008422.db2.gz BJTQTVMKYONJHO-LLVKDONJSA-N 1 0 296.367 0.945 10 0 CCAERO CC(C)[NH2+]Cc1c(N(C)CC(N)=O)nc2sccn21 ZINC000035430314 172199420 /nfs/dbraw/zinc/19/94/20/172199420.db2.gz QMTTUQOXVTVGHE-UHFFFAOYSA-N 1 0 281.385 0.815 10 0 CCAERO C[C@@H](OCCCO)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000035727575 172380699 /nfs/dbraw/zinc/38/06/99/172380699.db2.gz JOMDVWUKUIMBOF-SNVBAGLBSA-N 1 0 252.314 0.871 10 0 CCAERO CCN(C1CC[NH2+]CC1)S(=O)(=O)c1cnn(C)c1 ZINC000037537874 173257897 /nfs/dbraw/zinc/25/78/97/173257897.db2.gz DTKBENIURWIKFD-UHFFFAOYSA-N 1 0 272.374 0.183 10 0 CCAERO NC(=O)CN(C(=O)c1cccc(F)c1)[C@H]1CC[NH2+]C1 ZINC000037540541 173261865 /nfs/dbraw/zinc/26/18/65/173261865.db2.gz IMCXKDGFEUTLBW-NSHDSACASA-N 1 0 265.288 0.115 10 0 CCAERO CC(C)[NH2+]CCC(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000037810408 173753676 /nfs/dbraw/zinc/75/36/76/173753676.db2.gz QEGAIIXUESINSV-UHFFFAOYSA-N 1 0 269.389 0.701 10 0 CCAERO CC(C)CN(CC(F)(F)F)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000037813294 173759928 /nfs/dbraw/zinc/75/99/28/173759928.db2.gz STYWYZWRRBDMNZ-IUCAKERBSA-N 1 0 268.279 0.756 10 0 CCAERO CCOC(=O)CN(CCOC)C(=O)CC[NH2+]C(C)C ZINC000037813846 173761351 /nfs/dbraw/zinc/76/13/51/173761351.db2.gz HTMPJZNFBWHUMV-UHFFFAOYSA-N 1 0 274.361 0.413 10 0 CCAERO CN(CC(=O)N1CC[NH2+]CC1)Cc1ncc(C(C)(C)C)o1 ZINC000038031429 174025834 /nfs/dbraw/zinc/02/58/34/174025834.db2.gz HTYINGGIPNVHQI-UHFFFAOYSA-N 1 0 294.399 0.836 10 0 CCAERO CC(C)CNC(=O)[C@H]1CCCN1C1CC[NH2+]CC1 ZINC000038042825 174047440 /nfs/dbraw/zinc/04/74/40/174047440.db2.gz SWSRRKDETCEBGB-CYBMUJFWSA-N 1 0 253.390 0.975 10 0 CCAERO COC(=O)c1ccccc1C[NH2+]CCCS(C)(=O)=O ZINC000038047591 174057426 /nfs/dbraw/zinc/05/74/26/174057426.db2.gz GCYRWIRMEGJMOD-UHFFFAOYSA-N 1 0 285.365 0.998 10 0 CCAERO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+]CCCS(C)(=O)=O ZINC000038048138 174058777 /nfs/dbraw/zinc/05/87/77/174058777.db2.gz JREGPVHQRNNDOF-WDEREUQCSA-N 1 0 278.418 0.704 10 0 CCAERO O[C@H](C[NH2+]CCc1ccco1)COC[C@@H]1CCCO1 ZINC000038059529 174069599 /nfs/dbraw/zinc/06/95/99/174069599.db2.gz HDKLJDFYPAIQCU-OCCSQVGLSA-N 1 0 269.341 0.968 10 0 CCAERO CCCCNC(=O)[C@H](C)[NH2+]C1CCC(C(N)=O)CC1 ZINC000038091916 174105824 /nfs/dbraw/zinc/10/58/24/174105824.db2.gz GDWGLADFRSXLAM-UNXYVOJBSA-N 1 0 269.389 0.925 10 0 CCAERO CCNC(=O)NC(=O)[C@H](C)[NH2+]CC[C@H]1CCCO1 ZINC000038097164 174110807 /nfs/dbraw/zinc/11/08/07/174110807.db2.gz PURDCGIHIXDTMA-VHSXEESVSA-N 1 0 257.334 0.379 10 0 CCAERO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CC[C@@H]1CCCO1 ZINC000038097161 174111341 /nfs/dbraw/zinc/11/13/41/174111341.db2.gz PURDCGIHIXDTMA-ZJUUUORDSA-N 1 0 257.334 0.379 10 0 CCAERO C[NH2+]CCCC(=O)N1CCCC[C@@H]1CC(=O)OC ZINC000038101968 174118348 /nfs/dbraw/zinc/11/83/48/174118348.db2.gz VAKKVSROSUCKOX-LLVKDONJSA-N 1 0 256.346 0.930 10 0 CCAERO COCCNc1nc[nH+]c(NNC(C)(C)C)c1N ZINC000040783958 174405565 /nfs/dbraw/zinc/40/55/65/174405565.db2.gz AVWZZZDVFJNPDQ-UHFFFAOYSA-N 1 0 254.338 0.832 10 0 CCAERO CN1C[C@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2)CC1=O ZINC000662694755 414742508 /nfs/dbraw/zinc/74/25/08/414742508.db2.gz CCKYLMLTGPMALR-WCQYABFASA-N 1 0 275.352 0.671 10 0 CCAERO CN1C[C@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1=O ZINC000662696361 414742974 /nfs/dbraw/zinc/74/29/74/414742974.db2.gz YBSGAXKHOREHJF-FOIKRFTLSA-N 1 0 279.384 0.502 10 0 CCAERO O[C@H](CN1CCC[NH2+]CC1)c1ccc2c(c1)OCO2 ZINC000041377107 174537267 /nfs/dbraw/zinc/53/72/67/174537267.db2.gz NFNCQRATSBGHEX-GFCCVEGCSA-N 1 0 264.325 0.744 10 0 CCAERO O=C([C@H]1CNC(=O)C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662845415 414836115 /nfs/dbraw/zinc/83/61/15/414836115.db2.gz IDNCGECNMXQICO-QWHCGFSZSA-N 1 0 279.384 0.361 10 0 CCAERO [NH3+]CC1(C(=O)NCCO[C@@H]2CC2(F)F)CCOCC1 ZINC000662861813 414852983 /nfs/dbraw/zinc/85/29/83/414852983.db2.gz VEUSVEMSIRTLHY-SECBINFHSA-N 1 0 278.299 0.282 10 0 CCAERO CN(C(=O)[C@H]1CCCOC1)[C@@H](C[NH3+])C(F)(F)F ZINC000662979357 414932178 /nfs/dbraw/zinc/93/21/78/414932178.db2.gz LZDYKTBDQAAJJO-YUMQZZPRSA-N 1 0 254.252 0.761 10 0 CCAERO CC(C)N(CCO)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000042481190 174758128 /nfs/dbraw/zinc/75/81/28/174758128.db2.gz QCBCCIPLBRSGAY-UHFFFAOYSA-N 1 0 264.391 0.019 10 0 CCAERO [NH3+]CCCCS(=O)(=O)N(CCO)C1CCCC1 ZINC000042514412 174765991 /nfs/dbraw/zinc/76/59/91/174765991.db2.gz IWULSMKBFFSUOM-UHFFFAOYSA-N 1 0 264.391 0.292 10 0 CCAERO CN(CCC[NH3+])S(=O)(=O)N(CCO)C1CCCCC1 ZINC000042514379 174766238 /nfs/dbraw/zinc/76/62/38/174766238.db2.gz OBJYMBGODQHPPM-UHFFFAOYSA-N 1 0 293.433 0.139 10 0 CCAERO CCN(C[C@H]1CCCO1)S(=O)(=O)CCCC[NH3+] ZINC000042533569 174781604 /nfs/dbraw/zinc/78/16/04/174781604.db2.gz KGHSJOXLLBXXCH-LLVKDONJSA-N 1 0 264.391 0.556 10 0 CCAERO COCCN(C(=O)[C@@H]([NH3+])C(C)(C)C)[C@@H](C)COC ZINC000042610137 174823500 /nfs/dbraw/zinc/82/35/00/174823500.db2.gz AZUSDMODZBKCNE-WDEREUQCSA-N 1 0 260.378 0.870 10 0 CCAERO O=C1c2ccccc2S(=O)(=O)N1C[C@H]1CCC[NH2+]1 ZINC000043495960 175058114 /nfs/dbraw/zinc/05/81/14/175058114.db2.gz WCXUBFCJLGOYSZ-SECBINFHSA-N 1 0 266.322 0.583 10 0 CCAERO O=S1(=O)N=C(NC[C@@H]2CCCC[NH2+]2)c2ccccc21 ZINC000044493438 175181354 /nfs/dbraw/zinc/18/13/54/175181354.db2.gz YSRMIYMDAMESGU-JTQLQIEISA-N 1 0 279.365 0.867 10 0 CCAERO COCC[N@H+](CCC(N)=S)[C@@H](C)C(=O)NC(C)C ZINC000071225648 176089118 /nfs/dbraw/zinc/08/91/18/176089118.db2.gz JLQKNBLVDFLFSA-JTQLQIEISA-N 1 0 275.418 0.524 10 0 CCAERO C[C@@H]1C[C@@H]1NS(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000071244616 176095029 /nfs/dbraw/zinc/09/50/29/176095029.db2.gz FYTYHUCNAUTRGQ-HQJQHLMTSA-N 1 0 258.318 0.971 10 0 CCAERO COc1cccc(OC[C@H](CO)N2CC[NH2+]CC2)c1 ZINC000071598524 176222476 /nfs/dbraw/zinc/22/24/76/176222476.db2.gz TXARNBBIMSDSEF-LBPRGKRZSA-N 1 0 266.341 0.340 10 0 CCAERO COCCn1cncc1C[N@@H+]1CCC[C@](O)(CO)CC1 ZINC000072144907 176325148 /nfs/dbraw/zinc/32/51/48/176325148.db2.gz GLUQFLUHVLOICD-CQSZACIVSA-N 1 0 283.372 0.239 10 0 CCAERO COCc1nc2c(cnn2C)c(N(C)CC[NH+](C)C)n1 ZINC000072172653 176333667 /nfs/dbraw/zinc/33/36/67/176333667.db2.gz AFGSPOIZHAHTOW-UHFFFAOYSA-N 1 0 278.360 0.508 10 0 CCAERO C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2C[NH3+])C1 ZINC000335146927 287322766 /nfs/dbraw/zinc/32/27/66/287322766.db2.gz XJYOCEGWQOOIIG-MNOVXSKESA-N 1 0 253.346 0.195 10 0 CCAERO COc1cc(OC)c(NC(=O)NCC[NH3+])c(OC)c1 ZINC000076402448 177017647 /nfs/dbraw/zinc/01/76/47/177017647.db2.gz CAFSIBVHVVFSIF-UHFFFAOYSA-N 1 0 269.301 0.793 10 0 CCAERO COC(=O)c1ccc(N(C)S(=O)(=O)CC[NH3+])cc1 ZINC000076414526 177021666 /nfs/dbraw/zinc/02/16/66/177021666.db2.gz NSFVXGMUXSFZHQ-UHFFFAOYSA-N 1 0 272.326 0.198 10 0 CCAERO CC[C@H](C[NH3+])CCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000076675242 177055554 /nfs/dbraw/zinc/05/55/54/177055554.db2.gz UALWRFIAPVHYKW-UWVGGRQHSA-N 1 0 262.375 0.055 10 0 CCAERO CCOC(=O)C1=C[C@H](O[C@H](C)CC)[C@H](NC(C)=O)[C@@H]([NH3+])C1 ZINC000077287100 177249125 /nfs/dbraw/zinc/24/91/25/177249125.db2.gz DVWBSYTVGZEABZ-IGJVIKARSA-N 1 0 298.383 0.895 10 0 in-vitro CCAERO CCCCN1C[C@@H](CCN2CC[NH2+]CC2)OC1=O ZINC000077610788 177286935 /nfs/dbraw/zinc/28/69/35/177286935.db2.gz VMDOIEZHHQZAPN-GFCCVEGCSA-N 1 0 255.362 0.903 10 0 CCAERO O=S(=O)(C1CC1)N1CC2(C[NH2+]C2)C(F)(F)C1 ZINC000685949033 545871422 /nfs/dbraw/zinc/87/14/22/545871422.db2.gz IWBRHSGODGIKSE-UHFFFAOYSA-N 1 0 252.286 0.019 10 0 CCAERO CC[NH2+][C@H]1CC[C@@H](n2cc(S(C)(=O)=O)cn2)C1 ZINC000725252632 545878939 /nfs/dbraw/zinc/87/89/39/545878939.db2.gz OMHDJJDCDTVHSC-VHSXEESVSA-N 1 0 257.359 0.990 10 0 CCAERO COC[C@H](C)NC(=S)Nc1ccnn1C1C[NH2+]C1 ZINC000725258016 545880659 /nfs/dbraw/zinc/88/06/59/545880659.db2.gz DAQPWCMUHLZACG-QMMMGPOBSA-N 1 0 269.374 0.349 10 0 CCAERO CS(=O)(=O)c1cnn(C[C@H]([NH3+])c2ccccc2)c1 ZINC000725253133 545878971 /nfs/dbraw/zinc/87/89/71/545878971.db2.gz QQDUVAGXRLRMMA-LBPRGKRZSA-N 1 0 265.338 0.987 10 0 CCAERO CN([C@@H]1C[C@@H]([NH3+])C12CCOCC2)C1CC[NH+](C)CC1 ZINC000725264492 545884874 /nfs/dbraw/zinc/88/48/74/545884874.db2.gz QRHUIFRFNNWCOC-ZIAGYGMSSA-N 1 0 267.417 0.909 10 0 CCAERO CCCCS(=O)(=O)N[C@H]1CCOC12CC[NH2+]CC2 ZINC000725269093 545885756 /nfs/dbraw/zinc/88/57/56/545885756.db2.gz DLQLPIFUOGRNSM-NSHDSACASA-N 1 0 276.402 0.617 10 0 CCAERO CCCS(=O)(=O)N1C[C@@H](C)OC2(CC[NH2+]CC2)C1 ZINC000725271231 545887546 /nfs/dbraw/zinc/88/75/46/545887546.db2.gz AOXKPWHNVIOEHB-LLVKDONJSA-N 1 0 276.402 0.569 10 0 CCAERO CCS(=O)(=O)N1C[C@@H](C)OC2(CC[NH2+]CC2)C1 ZINC000725271957 545888727 /nfs/dbraw/zinc/88/87/27/545888727.db2.gz KRUZIJLGVIEWAI-SNVBAGLBSA-N 1 0 262.375 0.179 10 0 CCAERO CCC[C@H](C)C(=O)N1CC(N2C[C@H]([NH3+])CC2=O)C1 ZINC000725272928 545889635 /nfs/dbraw/zinc/88/96/35/545889635.db2.gz UJZVFQPPESPNEX-VHSXEESVSA-N 1 0 253.346 0.193 10 0 CCAERO O=C(CC[C@@H]1CCCCO1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000367190187 227296473 /nfs/dbraw/zinc/29/64/73/227296473.db2.gz BEEQNRVEDQYHLS-XQQFMLRXSA-N 1 0 268.357 0.535 10 0 CCAERO C[C@H](O)C[NH2+][C@H]1CCS(=O)(=O)c2ccccc21 ZINC000037257678 544422924 /nfs/dbraw/zinc/42/29/24/544422924.db2.gz LYAGKMBYFLUITF-ONGXEEELSA-N 1 0 255.339 0.876 10 0 CCAERO C[NH2+][C@H](C)C(=O)N1CCN(c2ccc(O)cc2)CC1 ZINC000054074688 544441482 /nfs/dbraw/zinc/44/14/82/544441482.db2.gz QIOXEVDRQJGBBP-LLVKDONJSA-N 1 0 263.341 0.649 10 0 CCAERO C[NH2+][C@H](C)C(=O)Nc1ccccc1SCC(N)=O ZINC000054073927 544441783 /nfs/dbraw/zinc/44/17/83/544441783.db2.gz KQCPQKBLJVGDHS-MRVPVSSYSA-N 1 0 267.354 0.810 10 0 CCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC(C)(C)S(C)(=O)=O ZINC000093525953 544542403 /nfs/dbraw/zinc/54/24/03/544542403.db2.gz GIVXDRUHZQYXRP-RKDXNWHRSA-N 1 0 264.391 0.299 10 0 CCAERO Cc1c(C[NH2+]CC(C)(C)NS(C)(=O)=O)cnn1C ZINC000093650293 544542769 /nfs/dbraw/zinc/54/27/69/544542769.db2.gz FXIRQADPCFPJAA-UHFFFAOYSA-N 1 0 274.390 0.146 10 0 CCAERO [NH3+]C1(C(=O)N2CCOc3ccccc3C2)CCOCC1 ZINC000132224745 544621493 /nfs/dbraw/zinc/62/14/93/544621493.db2.gz HPUPSEVXSKMVGK-UHFFFAOYSA-N 1 0 276.336 0.916 10 0 CCAERO CCOc1cc(NC[C@@H]2C[NH2+]CCO2)nc(C)n1 ZINC000134266249 544630307 /nfs/dbraw/zinc/63/03/07/544630307.db2.gz QPEQYHVSAYXMMY-JTQLQIEISA-N 1 0 252.318 0.584 10 0 CCAERO 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PBHBFPRGPBXISN-SNVBAGLBSA-N 1 0 282.388 0.376 10 0 CCAERO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128490897 276261433 /nfs/dbraw/zinc/26/14/33/276261433.db2.gz WXNVRBDDJWJKEU-YWPYICTPSA-N 1 0 297.399 0.848 10 0 CCAERO CCOC[C@H](O)C[N@@H+]1C[C@H]2CCCCN2C[C@@H]1C ZINC000252660984 276333215 /nfs/dbraw/zinc/33/32/15/276333215.db2.gz FTXXLVCXBHOXSD-BFHYXJOUSA-N 1 0 256.390 0.942 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C[C@H](O)CO[C@H](C)COC ZINC000300281058 276370517 /nfs/dbraw/zinc/37/05/17/276370517.db2.gz ASWFPGBETLOCAN-KFWWJZLASA-N 1 0 288.432 0.815 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1OC[C@H]2COCC[C@@H]21 ZINC000332875299 276372809 /nfs/dbraw/zinc/37/28/09/276372809.db2.gz WGGYWADVNWLSFC-YIYPIFLZSA-N 1 0 282.384 0.638 10 0 CCAERO C[NH+](C)C[C@H]1CN(c2ncncc2Cl)CCO1 ZINC000302682402 276808306 /nfs/dbraw/zinc/80/83/06/276808306.db2.gz XJPOIWHTQFPTGO-VIFPVBQESA-N 1 0 256.737 0.897 10 0 CCAERO CN1CCC[C@@H](NC(=O)[C@@]2(C)CCCC[NH2+]2)C1=O ZINC000336588886 276899132 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CO[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)[C@@H](C)C1 ZINC000408425445 277292296 /nfs/dbraw/zinc/29/22/96/277292296.db2.gz LNGCNFCSIYIFCT-YNEHKIRRSA-N 1 0 297.399 0.210 10 0 CCAERO CO[C@H]1C[C@@H](C(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)[N@H+](C)C1 ZINC000408048034 277346562 /nfs/dbraw/zinc/34/65/62/277346562.db2.gz UUDVVKYPXZYTIT-CRWXNKLISA-N 1 0 298.427 0.961 10 0 CCAERO CC(C)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCCS(=O)(=O)C2)C1 ZINC000246198783 277640209 /nfs/dbraw/zinc/64/02/09/277640209.db2.gz IVEZKLYMHGIYKW-JHJVBQTASA-N 1 0 274.430 0.882 10 0 CCAERO C[C@@H]1CN(C(=O)[C@@H]2CO[C@@H]3C=CC=C[C@@H]3O2)CC[NH2+]1 ZINC000079440320 277842854 /nfs/dbraw/zinc/84/28/54/277842854.db2.gz YJCZEFWUFRLTDY-NDBYEHHHSA-N 1 0 264.325 0.085 10 0 CCAERO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)[C@H]1CCCOC1 ZINC000261708549 277934595 /nfs/dbraw/zinc/93/45/95/277934595.db2.gz PJOJCXAYLSSVBF-OUAUKWLOSA-N 1 0 262.375 0.083 10 0 CCAERO C[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000333022058 278046316 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520942549 /nfs/dbraw/zinc/94/25/49/520942549.db2.gz SXGFCIHUACACTB-GXFFZTMASA-N 1 0 255.362 0.407 10 0 CCAERO CCNC(=O)CN(CC)C(=O)[C@H]1CCC[C@H]([NH3+])[C@@H]1C ZINC000055135206 521736459 /nfs/dbraw/zinc/73/64/59/521736459.db2.gz GEWJUIIUBPDHEQ-WOPDTQHZSA-N 1 0 269.389 0.735 10 0 CCAERO CCNC(=O)[C@H](C)NC(=O)C1(CC)CC[NH2+]CC1 ZINC000062848298 521745067 /nfs/dbraw/zinc/74/50/67/521745067.db2.gz KKYFRVQXDJLNBD-JTQLQIEISA-N 1 0 255.362 0.407 10 0 CCAERO C[NH+](C)C[C@@H](NC(=O)Cn1cnnn1)c1ccccc1 ZINC000052555185 521824745 /nfs/dbraw/zinc/82/47/45/521824745.db2.gz LXOXAYSLWKOMSH-GFCCVEGCSA-N 1 0 274.328 0.092 10 0 CCAERO C[NH2+]CCS(=O)(=O)N(C)Cc1ccccc1F ZINC000049630305 522011672 /nfs/dbraw/zinc/01/16/72/522011672.db2.gz BXQCNAWXUZMZIA-UHFFFAOYSA-N 1 0 260.334 0.807 10 0 CCAERO C[NH2+]CCS(=O)(=O)NCCc1cccc(F)c1 ZINC000049630218 522014661 /nfs/dbraw/zinc/01/46/61/522014661.db2.gz WAIADHPSKPVVQV-UHFFFAOYSA-N 1 0 260.334 0.507 10 0 CCAERO COC[C@@H](C)NC(=O)COCC[C@@H]1CCC[NH2+]C1 ZINC000051918244 522229006 /nfs/dbraw/zinc/22/90/06/522229006.db2.gz PJUOSZYUDRDJSP-NEPJUHHUSA-N 1 0 258.362 0.544 10 0 CCAERO C[NH2+][C@@H]1COc2cc(OC[C@H](C)C(N)=O)ccc21 ZINC000062804453 522400859 /nfs/dbraw/zinc/40/08/59/522400859.db2.gz FOWJEYKJLSARJO-GZMMTYOYSA-N 1 0 250.298 0.840 10 0 CCAERO COCC[N@H+](C)CCNc1ccc(C(N)=O)cc1N ZINC000061378085 523613395 /nfs/dbraw/zinc/61/33/95/523613395.db2.gz ZKEKNAUWULXCNP-UHFFFAOYSA-N 1 0 266.345 0.358 10 0 CCAERO CN(C(=O)C[NH+]1CCC(n2cncn2)CC1)C1CC1 ZINC000156648860 523818971 /nfs/dbraw/zinc/81/89/71/523818971.db2.gz NAQVMRMYNJLYOP-UHFFFAOYSA-N 1 0 263.345 0.536 10 0 CCAERO C[NH+]1CCN(CCCNC(=O)c2csc(N)n2)CC1 ZINC000055188525 523898474 /nfs/dbraw/zinc/89/84/74/523898474.db2.gz AJTWCTGHLRJNQE-UHFFFAOYSA-N 1 0 283.401 0.093 10 0 CCAERO C[N@@H+]1CC[C@@H](Nc2nc(Cl)nc(-n3cccn3)n2)C1 ZINC000061538929 523969015 /nfs/dbraw/zinc/96/90/15/523969015.db2.gz LSRQKIZIMZAIBI-MRVPVSSYSA-N 1 0 279.735 0.827 10 0 CCAERO CO[C@H]1C[NH2+]C[C@H]1NC(=O)c1cc(F)c(F)c(F)c1 ZINC000063008245 524009141 /nfs/dbraw/zinc/00/91/41/524009141.db2.gz CKOXWXVNGFAXER-ZJUUUORDSA-N 1 0 274.242 0.821 10 0 CCAERO CO[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc2c(c1)CCO2 ZINC000050892406 524009291 /nfs/dbraw/zinc/00/92/91/524009291.db2.gz QDRLIDNTTBNBJK-YPMHNXCESA-N 1 0 262.309 0.338 10 0 CCAERO C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)C1C[NH2+]C1 ZINC000163824711 524190427 /nfs/dbraw/zinc/19/04/27/524190427.db2.gz RYSDBIDNAMPAOC-LLVKDONJSA-N 1 0 290.363 0.972 10 0 CCAERO C[C@H]1CC[C@@H](C(=O)N[C@@H]2CCCNC2=O)C[C@@H]1[NH3+] ZINC000055131407 524334361 /nfs/dbraw/zinc/33/43/61/524334361.db2.gz RHQPRCHDTPNCIM-ZRUFSTJUSA-N 1 0 253.346 0.145 10 0 CCAERO C[C@@H]1CC[C@H](C(=O)N(C)Cc2nccn2C)C[NH2+]1 ZINC000062256834 524628824 /nfs/dbraw/zinc/62/88/24/524628824.db2.gz UROWJAYLVBYFSD-MNOVXSKESA-N 1 0 250.346 0.767 10 0 CCAERO C[C@H]([NH3+])CCNS(=O)(=O)CCc1ccncc1 ZINC000063170906 524831781 /nfs/dbraw/zinc/83/17/81/524831781.db2.gz NBUCXGGAAFBSPM-JTQLQIEISA-N 1 0 257.359 0.281 10 0 CCAERO C[C@@H](Cc1ccco1)NS(=O)(=O)C1CC[NH2+]CC1 ZINC000049645531 524928982 /nfs/dbraw/zinc/92/89/82/524928982.db2.gz CAGDAGVNNSYOBL-JTQLQIEISA-N 1 0 272.370 0.882 10 0 CCAERO C[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCC[NH2+]2)C[C@@H](C)O1 ZINC000049630567 525042115 /nfs/dbraw/zinc/04/21/15/525042115.db2.gz MPHIOSYIEGUHPC-UTUOFQBUSA-N 1 0 276.402 0.568 10 0 CCAERO C[C@@H](NC(=O)C(=O)NCC[NH3+])c1cccc(F)c1 ZINC000049528230 525043523 /nfs/dbraw/zinc/04/35/23/525043523.db2.gz RRIUAKOLBXEWQP-MRVPVSSYSA-N 1 0 253.277 0.078 10 0 CCAERO C[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])[C@@H](C)C1)C(=O)N(C)C ZINC000055129673 525148596 /nfs/dbraw/zinc/14/85/96/525148596.db2.gz XLFNPYQZKHTDML-MMWGEVLESA-N 1 0 255.362 0.343 10 0 CCAERO COc1ccc([C@@H]([NH3+])CS(C)(=O)=O)cc1OC ZINC000054930038 525191202 /nfs/dbraw/zinc/19/12/02/525191202.db2.gz UGJOFOHCBMGYGY-VIFPVBQESA-N 1 0 259.327 0.748 10 0 CCAERO C[C@@H]([NH2+]CC(=O)NC(=O)NCc1ccco1)[C@@H]1CCCO1 ZINC000183148142 525409450 /nfs/dbraw/zinc/40/94/50/525409450.db2.gz 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/nfs/dbraw/zinc/38/56/38/526385638.db2.gz OIZLTWMIXWHKCI-SNVBAGLBSA-N 1 0 256.331 0.466 10 0 CCAERO O=C(CCC1CC[NH2+]CC1)NC[C@H]1CCS(=O)(=O)C1 ZINC000050948368 526411435 /nfs/dbraw/zinc/41/14/35/526411435.db2.gz BKMLDURZBSOCDN-GFCCVEGCSA-N 1 0 288.413 0.317 10 0 CCAERO O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)[C@@H]1CCC[NH2+]1 ZINC000183074723 526996011 /nfs/dbraw/zinc/99/60/11/526996011.db2.gz XBXVCCRTRUFZJX-WFASDCNBSA-N 1 0 287.363 0.940 10 0 CCAERO [NH3+]C[C@@H](Sc1n[nH]c(=O)n1C1CC1)C(F)(F)F ZINC000061594497 527206018 /nfs/dbraw/zinc/20/60/18/527206018.db2.gz SCZHKPIKEYKRSC-RXMQYKEDSA-N 1 0 268.264 0.888 10 0 CCAERO O=S(=O)([C@H]1CC[N@H+](CCn2ccnc2)C1)N1CCCC1 ZINC000163364145 527261861 /nfs/dbraw/zinc/26/18/61/527261861.db2.gz QVSQCRDWBQXNHX-ZDUSSCGKSA-N 1 0 298.412 0.383 10 0 CCAERO Cc1ncc(CNC(=O)CN2CCC[NH2+]CC2)s1 ZINC000061273991 527261878 /nfs/dbraw/zinc/26/18/78/527261878.db2.gz MDBLIHJMOYYHIV-UHFFFAOYSA-N 1 0 268.386 0.363 10 0 CCAERO [NH3+]Cc1cn(CCN2CCO[C@H]3CCCC[C@@H]32)nn1 ZINC000052573148 527262697 /nfs/dbraw/zinc/26/26/97/527262697.db2.gz UZWNSMGCTGWWSW-STQMWFEESA-N 1 0 265.361 0.380 10 0 CCAERO OCCN1CCC([NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667842946 545157551 /nfs/dbraw/zinc/15/75/51/545157551.db2.gz UKCGFZRTQUGDMZ-UONOGXRCSA-N 1 0 254.374 0.600 10 0 CCAERO CC(C)(C)c1nnc(CNC(=O)C2C[NH2+]C2)s1 ZINC000263328419 534925805 /nfs/dbraw/zinc/92/58/05/534925805.db2.gz UDWUOKHTVXHDJG-UHFFFAOYSA-N 1 0 254.359 0.671 10 0 CCAERO CC(C)S(=O)(=O)CCN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261574241 535094648 /nfs/dbraw/zinc/09/46/48/535094648.db2.gz MPSPHZAQMVSOLQ-AVGNSLFASA-N 1 0 274.430 0.869 10 0 CCAERO CCC[C@]1(CNC(=O)NCCOC)C[NH2+]CCO1 ZINC000675059939 545320854 /nfs/dbraw/zinc/32/08/54/545320854.db2.gz YMLVNVGZBMORAS-GFCCVEGCSA-N 1 0 259.350 0.091 10 0 CCAERO NC1(c2ncc(Br)cn2)CC[NH2+]CC1 ZINC000675073460 545321112 /nfs/dbraw/zinc/32/11/12/545321112.db2.gz JBGHNAKLIDCOCZ-UHFFFAOYSA-N 1 0 257.135 0.777 10 0 CCAERO CC[NH+](CC)CC(=O)N[C@@H]1CCCn2nc(COC)nc21 ZINC000127210458 535493026 /nfs/dbraw/zinc/49/30/26/535493026.db2.gz MPLXZWPDGOHAQB-LLVKDONJSA-N 1 0 295.387 0.717 10 0 CCAERO CCC[C@@](C)([NH3+])C(=O)N(C)CCS(=O)(=O)CC ZINC000262596215 535521980 /nfs/dbraw/zinc/52/19/80/535521980.db2.gz WVOKHCMQPAOTRB-LLVKDONJSA-N 1 0 264.391 0.397 10 0 CCAERO CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000262693091 535529045 /nfs/dbraw/zinc/52/90/45/535529045.db2.gz BKTHXFGDZNWONF-TZMCWYRMSA-N 1 0 269.389 0.483 10 0 CCAERO CCN(CC)S(=O)(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261543852 535620792 /nfs/dbraw/zinc/62/07/92/535620792.db2.gz WAZRQTXGGFVNFR-QWRGUYRKSA-N 1 0 263.407 0.632 10 0 CCAERO CCOC(=O)CCCNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000368008427 535636535 /nfs/dbraw/zinc/63/65/35/535636535.db2.gz JQEIZWVFQXZNSX-GHMZBOCLSA-N 1 0 256.346 0.834 10 0 CCAERO C[NH+](C)CCCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000243332520 535833093 /nfs/dbraw/zinc/83/30/93/535833093.db2.gz LPQWALQHKJSTNG-CYBMUJFWSA-N 1 0 269.389 0.261 10 0 CCAERO COc1ccc(-c2nnc(CNC(=O)C3C[NH2+]C3)[nH]2)cc1 ZINC000263324107 536516355 /nfs/dbraw/zinc/51/63/55/536516355.db2.gz SGQRXOOMZHYEMW-UHFFFAOYSA-N 1 0 287.323 0.316 10 0 CCAERO COc1cc(C)c(CNC[C@@H]2C[NH2+]C[C@H]2O)cc1OC ZINC000263259615 536576744 /nfs/dbraw/zinc/57/67/44/536576744.db2.gz QTWOSDRKLVJIET-CHWSQXEVSA-N 1 0 280.368 0.682 10 0 CCAERO COc1cccc(CCC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262419032 537106996 /nfs/dbraw/zinc/10/69/96/537106996.db2.gz ZWRACJCYTKQYNH-OCCSQVGLSA-N 1 0 278.352 0.324 10 0 CCAERO C[NH2+][C@@](C)(Cn1cc(Br)cn1)C(N)=O ZINC000045437433 570273370 /nfs/dbraw/zinc/27/33/70/570273370.db2.gz WWUKJTXCWURQFA-QMMMGPOBSA-N 1 0 261.123 0.109 10 0 CCAERO Cc1cnc(C[NH2+][C@H]2CCCN(CCO)C2)s1 ZINC000394745418 581167605 /nfs/dbraw/zinc/16/76/05/581167605.db2.gz LHXUGYZFHUOYBH-NSHDSACASA-N 1 0 255.387 0.998 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(Cl)s1 ZINC000211124770 581192378 /nfs/dbraw/zinc/19/23/78/581192378.db2.gz FBOLJYOFBKLTPQ-BQBZGAKWSA-N 1 0 260.746 0.712 10 0 CCAERO CCn1cc(CC[N@@H+]2CCC[C@](O)(c3cn[nH]n3)C2)cn1 ZINC000794585655 581378495 /nfs/dbraw/zinc/37/84/95/581378495.db2.gz YUUMALAKPVWWLY-CQSZACIVSA-N 1 0 290.371 0.547 10 0 CCAERO [NH3+][C@@H](CS(=O)(=O)N1CCCCC1)c1cccnc1 ZINC000757147644 581680838 /nfs/dbraw/zinc/68/08/38/581680838.db2.gz CUVJECGLCHZUQY-LBPRGKRZSA-N 1 0 269.370 0.897 10 0 CCAERO CCOC(=O)CCc1nc(C2(N)CC[NH+](CC)CC2)no1 ZINC000757182394 581684539 /nfs/dbraw/zinc/68/45/39/581684539.db2.gz HPACKJLSYIEXOP-UHFFFAOYSA-N 1 0 296.371 0.835 10 0 CCAERO COC(=O)[C@@H]1CCCCN1c1noc([C@H](N)CCC[NH3+])n1 ZINC000757121390 581694985 /nfs/dbraw/zinc/69/49/85/581694985.db2.gz NBJCIPIOPRDSDU-ZJUUUORDSA-N 1 0 297.359 0.340 10 0 CCAERO CCN(CC)C(=O)CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000135364176 614975774 /nfs/dbraw/zinc/97/57/74/614975774.db2.gz MOBCXWUSIOFBKS-QWRGUYRKSA-N 1 0 255.362 0.346 10 0 CCAERO CC[C@H](O)[C@H](C)C(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000901226814 615837678 /nfs/dbraw/zinc/83/76/78/615837678.db2.gz XBQRKFXVJJRMIL-AAEUAGOBSA-N 1 0 272.389 0.309 10 0 CCAERO COCC[N@@H+]1CCN(CN2CCOC2=S)C[C@H]1C ZINC000117323679 616369793 /nfs/dbraw/zinc/36/97/93/616369793.db2.gz XHEWPAIFLQKPPD-LLVKDONJSA-N 1 0 273.402 0.214 10 0 CCAERO COCC[N@@H+]1CCN(CC[C@@H]2CCOC2=O)C[C@H]1C ZINC000120471110 616370949 /nfs/dbraw/zinc/37/09/49/616370949.db2.gz VMUSGYIBAXFNLC-CHWSQXEVSA-N 1 0 270.373 0.592 10 0 CCAERO COCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(C)=O)C1 ZINC000111690030 616902480 /nfs/dbraw/zinc/90/24/80/616902480.db2.gz BIZUAIVYYLWZBB-AAEUAGOBSA-N 1 0 270.373 0.829 10 0 CCAERO COC(=O)c1cn(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)nn1 ZINC000153218158 616962138 /nfs/dbraw/zinc/96/21/38/616962138.db2.gz TYNZTABRBPJEPR-WDEREUQCSA-N 1 0 279.344 0.191 10 0 CCAERO CCON1CCC([NH2+]C[C@H]2CN(CC)CCO2)CC1 ZINC000323394783 625297094 /nfs/dbraw/zinc/29/70/94/625297094.db2.gz SLPAVUXJBILGHK-AWEZNQCLSA-N 1 0 271.405 0.713 10 0 CCAERO C(C[C@@H]1CCC[NH2+]1)c1nc([C@H]2CN3CCN2CC3)no1 ZINC000312457936 625437025 /nfs/dbraw/zinc/43/70/25/625437025.db2.gz ACSZEJYPBSAAAI-NWDGAFQWSA-N 1 0 277.372 0.427 10 0 CCAERO COC(=O)NC(C)(C)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000193624644 625544720 /nfs/dbraw/zinc/54/47/20/625544720.db2.gz GXFUBECZIRJOCV-IUCAKERBSA-N 1 0 257.334 0.378 10 0 CCAERO [NH3+]C1CC(CNS(=O)(=O)c2cncc(F)c2)C1 ZINC000091524799 622849305 /nfs/dbraw/zinc/84/93/05/622849305.db2.gz PXHICVBVFGKXFH-UHFFFAOYSA-N 1 0 259.306 0.236 10 0 CCAERO CCCCC[C@H](NC(=O)[C@@H]1CC[NH2+]C1)C(=O)OC ZINC000161527212 622859622 /nfs/dbraw/zinc/85/96/22/622859622.db2.gz ZAGBXPVLHVBGHR-MNOVXSKESA-N 1 0 256.346 0.834 10 0 CCAERO O=C(NC[C@@H](O)C(F)(F)F)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000236532154 623523189 /nfs/dbraw/zinc/52/31/89/623523189.db2.gz BZHOKYOPJVYJAI-GHMZBOCLSA-N 1 0 288.269 0.913 10 0 CCAERO Cc1c(CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cnn1C ZINC000093650391 624870132 /nfs/dbraw/zinc/87/01/32/624870132.db2.gz GDELDGJNLRUJBS-KGLIPLIRSA-N 1 0 264.373 0.681 10 0 CCAERO Cc1ncccc1CN1CCNC(=O)CC12C[NH2+]C2 ZINC000903774437 634645898 /nfs/dbraw/zinc/64/58/98/634645898.db2.gz IPJVABRTKYMCMH-UHFFFAOYSA-N 1 0 260.341 0.054 10 0 CCAERO Cc1cc2c(ncnc2NCC(=O)N2CC[NH2+]CC2)s1 ZINC000058324222 631350619 /nfs/dbraw/zinc/35/06/19/631350619.db2.gz BYMAMOLSQPDUAE-UHFFFAOYSA-N 1 0 291.380 0.843 10 0 CCAERO CCC[NH2+][C@H](C)c1nc([C@@H]2CN3CCN2CC3)no1 ZINC000094511729 631366420 /nfs/dbraw/zinc/36/64/20/631366420.db2.gz QUJUBHRJPOVKHG-MNOVXSKESA-N 1 0 265.361 0.803 10 0 CCAERO COC(=O)N[C@H](CC(C)C)C(=O)NCC[C@H](C)[NH3+] ZINC000178641708 631514657 /nfs/dbraw/zinc/51/46/57/631514657.db2.gz VYFGEXKVCYRVAJ-VHSXEESVSA-N 1 0 259.350 0.611 10 0 CCAERO Cc1ccnn1[C@H](C)C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000222550907 631571095 /nfs/dbraw/zinc/57/10/95/631571095.db2.gz IDGLWNLHQKKKTE-DGCLKSJQSA-N 1 0 262.357 0.963 10 0 CCAERO Cc1nccn1C[C@@H]1CCCN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000178848320 631577947 /nfs/dbraw/zinc/57/79/47/631577947.db2.gz UXLBYFAAMCDAIC-GXTWGEPZSA-N 1 0 280.347 0.884 10 0 CCAERO COc1cccc([C@H](O)C(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000163126506 631619230 /nfs/dbraw/zinc/61/92/30/631619230.db2.gz POSPYJTUTQQBJY-JSGCOSHPSA-N 1 0 278.352 0.891 10 0 CCAERO COC(=O)NCC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000048890022 631852178 /nfs/dbraw/zinc/85/21/78/631852178.db2.gz XKARVEDGXZFGTG-LBPRGKRZSA-N 1 0 279.340 0.762 10 0 CCAERO C[NH2+]C[C@H]1CCN(C(=O)[C@@H](CC(C)C)NC(=O)OC)C1 ZINC000178982304 631931615 /nfs/dbraw/zinc/93/16/15/631931615.db2.gz LNKNDCFSFDEZDD-VXGBXAGGSA-N 1 0 285.388 0.825 10 0 CCAERO O=C(CNC(=O)C[C@@H]1CCC[NH2+]C1)NCc1ccccc1 ZINC000054308285 632578209 /nfs/dbraw/zinc/57/82/09/632578209.db2.gz NOMOHRZIMIWKID-AWEZNQCLSA-N 1 0 289.379 0.809 10 0 CCAERO C[C@@H]1CC(CNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)C[C@@H](C)O1 ZINC000907975102 635254380 /nfs/dbraw/zinc/25/43/80/635254380.db2.gz UBLBFKSMANQWSV-ZSEWYUTFSA-N 1 0 284.400 0.761 10 0 CCAERO CC(C)C[C@H](O)CNC(=O)C1(C[NH3+])CCOCC1 ZINC000226122836 636969067 /nfs/dbraw/zinc/96/90/67/636969067.db2.gz FJBVDDMQQMDZOB-NSHDSACASA-N 1 0 258.362 0.265 10 0 CCAERO [NH3+]CCCCCCC(=O)NC[C@H](O)C(F)(F)F ZINC000226320495 636976941 /nfs/dbraw/zinc/97/69/41/636976941.db2.gz PTIIPPPPGGGADU-QMMMGPOBSA-N 1 0 256.268 0.935 10 0 CCAERO C[C@]1(C(=O)NC[C@H](O)C(F)(F)F)CCCC[NH2+]1 ZINC000227694603 637033260 /nfs/dbraw/zinc/03/32/60/637033260.db2.gz SUERLLHLHJAYCN-IONNQARKSA-N 1 0 254.252 0.558 10 0 CCAERO CC1(C)CC(=O)N(CN2CC[C@H](N3CCOCC3)C2)C1=O ZINC000172961800 637201497 /nfs/dbraw/zinc/20/14/97/637201497.db2.gz QQKDBEKXGIOYCW-LBPRGKRZSA-N 1 0 295.383 0.136 10 0 CCAERO Oc1ccc(-c2noc([C@H]3C[C@@H](O)C[NH2+]3)n2)cc1F ZINC000232348518 637254391 /nfs/dbraw/zinc/25/43/91/637254391.db2.gz ZGUUOVBNRYLOKQ-VXNVDRBHSA-N 1 0 265.244 0.977 10 0 CCAERO CC[C@@H]1CN(C(=O)C[C@@H](C)OC)CC[N@@H+]1C[C@@H](C)O ZINC000174609096 637265807 /nfs/dbraw/zinc/26/58/07/637265807.db2.gz RXKMINDEVNFJOD-JHJVBQTASA-N 1 0 272.389 0.715 10 0 CCAERO CCN1C(=S)N=NC1CCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000180952246 638290246 /nfs/dbraw/zinc/29/02/46/638290246.db2.gz ROQIXQZCXKKTEC-CYBMUJFWSA-N 1 0 297.428 0.778 10 0 CCAERO COCC[C@@H]([NH3+])C(=O)N[C@H]1COc2ccccc21 ZINC000070530570 638492825 /nfs/dbraw/zinc/49/28/25/638492825.db2.gz HEOGFJNEZGANOW-MNOVXSKESA-N 1 0 250.298 0.600 10 0 CCAERO CCC[C@H](C(=O)NCCc1ccnn1C)[NH+](C)C ZINC000183779222 638615491 /nfs/dbraw/zinc/61/54/91/638615491.db2.gz KQQVNXBNTOYKKH-GFCCVEGCSA-N 1 0 252.362 0.809 10 0 CCAERO C[NH+](C)[C@H]1CCN(C(=O)NCCC2(C)OCCO2)C1 ZINC000185114412 638749754 /nfs/dbraw/zinc/74/97/54/638749754.db2.gz RCYAWWFGZODLBD-NSHDSACASA-N 1 0 271.361 0.485 10 0 CCAERO O=C(CC[C@@H]1CC[NH2+]C1)NC[C@@H](O)C(F)(F)F ZINC000230172909 639061468 /nfs/dbraw/zinc/06/14/68/639061468.db2.gz IXPBRPADMKCVMY-HTQZYQBOSA-N 1 0 254.252 0.416 10 0 CCAERO Cc1n[nH]cc1S(=O)(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000124013884 646235047 /nfs/dbraw/zinc/23/50/47/646235047.db2.gz QMRSHZDWNCWCAD-WCBMZHEXSA-N 1 0 272.374 0.289 10 0 CCAERO C[C@@H](C[NH3+])Nc1ncc(I)cn1 ZINC000124415489 646353575 /nfs/dbraw/zinc/35/35/75/646353575.db2.gz LUBLFISVBVCBBG-YFKPBYRVSA-N 1 0 278.097 0.840 10 0 CCAERO Cn1cnc(S(=O)(=O)N2CCC[C@H]2C[NH3+])c1Cl ZINC000124720210 646407544 /nfs/dbraw/zinc/40/75/44/646407544.db2.gz QPAVIUDYOLASTH-ZETCQYMHSA-N 1 0 278.765 0.185 10 0 CCAERO O=S(=O)(/C=C\c1ccccc1)N[C@H]1CC[NH2+]C1 ZINC000210564636 647148570 /nfs/dbraw/zinc/14/85/70/647148570.db2.gz GLVOSSPVAJWIMB-UPZNUWHASA-N 1 0 252.339 0.939 10 0 CCAERO O=S(=O)(/C=C/c1ccccc1)NC[C@@H]1C[NH2+]CCO1 ZINC000134263413 647715572 /nfs/dbraw/zinc/71/55/72/647715572.db2.gz QJHSHZPHEBMRHK-PPGNKHEKSA-N 1 0 282.365 0.565 10 0 CCAERO C[C@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1nnnn1C1CC1 ZINC000188867436 649362422 /nfs/dbraw/zinc/36/24/22/649362422.db2.gz BQPXLZLZPBRUOE-GXSJLCMTSA-N 1 0 293.375 0.415 10 0 CCAERO CC1(C)CCC([NH2+][C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000079678634 649520680 /nfs/dbraw/zinc/52/06/80/649520680.db2.gz RHJQZGNETUFIMK-GHMZBOCLSA-N 1 0 261.387 0.703 10 0 CCAERO COC(=O)NCCCC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000193552648 649543801 /nfs/dbraw/zinc/54/38/01/649543801.db2.gz HATLPDAWKOJSCJ-UWVGGRQHSA-N 1 0 257.334 0.379 10 0 CCAERO [NH3+][C@H]1CCCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000195112860 649590827 /nfs/dbraw/zinc/59/08/27/649590827.db2.gz BAXRUCHCYMOHDW-RYUDHWBXSA-N 1 0 279.384 0.727 10 0 CCAERO COC[C@@]1(C)CC(=O)N(CN2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000245414120 649642326 /nfs/dbraw/zinc/64/23/26/649642326.db2.gz CPQQDPBJNMBUJZ-ZFWWWQNUSA-N 1 0 281.400 0.609 10 0 CCAERO [NH3+]C[C@@H]1CCCC[C@@H]1C(=O)NCC(=O)NC1CC1 ZINC000089387860 649653944 /nfs/dbraw/zinc/65/39/44/649653944.db2.gz FSVWCYCNXGFDMA-ONGXEEELSA-N 1 0 253.346 0.146 10 0 CCAERO COCCN(CCOC)C(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089388506 649654638 /nfs/dbraw/zinc/65/46/38/649654638.db2.gz DGFKMHZEBCBLFF-OLZOCXBDSA-N 1 0 272.389 0.873 10 0 CCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)CCCCCC[NH3+])C[C@@H]1C ZINC000246489809 649677509 /nfs/dbraw/zinc/67/75/09/649677509.db2.gz PERLGQYCWNBHCB-KBPBESRZSA-N 1 0 285.432 0.809 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cn1nc(CO)n(C)c1=S ZINC000246713454 649686303 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262.357 0.722 10 0 CCAERO C[C@H](CN1CCCC1=O)NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085366191 136794220 /nfs/dbraw/zinc/79/42/20/136794220.db2.gz LPSUBIGDPVHWLD-VWYCJHECSA-N 1 0 253.346 0.241 10 0 CCAERO O=C(C[C@H]1CC[NH2+]C1)Nc1ccc(N2CCOCC2)nc1 ZINC000089742698 136799516 /nfs/dbraw/zinc/79/95/16/136799516.db2.gz VLNCEVZCPYRALC-GFCCVEGCSA-N 1 0 290.367 0.856 10 0 CCAERO [NH3+][C@H]1CC[C@@H](C(=O)N2CCCN(c3cccnn3)CC2)C1 ZINC000167871375 136845662 /nfs/dbraw/zinc/84/56/62/136845662.db2.gz VAIQFJQBUQGKLB-OLZOCXBDSA-N 1 0 289.383 0.643 10 0 CCAERO O=C([C@@H]1CSC(=O)N1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186499490 136911773 /nfs/dbraw/zinc/91/17/73/136911773.db2.gz YQWLSIFZWYTSAH-WPRPVWTQSA-N 1 0 269.370 0.554 10 0 CCAERO C[C@H]1C(=O)NCCCN1C(=O)NCCC1CC[NH+](C)CC1 ZINC000191452027 136937029 /nfs/dbraw/zinc/93/70/29/136937029.db2.gz XHTLZFJVLKTNTI-LBPRGKRZSA-N 1 0 296.415 0.638 10 0 CCAERO O[C@H](Cn1cccn1)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000247072538 136985028 /nfs/dbraw/zinc/98/50/28/136985028.db2.gz GPNZFXDZPXSEHU-STQMWFEESA-N 1 0 250.346 0.024 10 0 CCAERO C[C@H](C(N)=O)[N@@H+]1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249542131 137000208 /nfs/dbraw/zinc/00/02/08/137000208.db2.gz FFZMUHGRMWEFCQ-DVVUODLYSA-N 1 0 254.355 0.630 10 0 CCAERO c1nc(NC[C@H]2CC[NH2+]C2)cc(N2CCOCC2)n1 ZINC000258599434 137005797 /nfs/dbraw/zinc/00/57/97/137005797.db2.gz HHFPFCQFSQJEQR-NSHDSACASA-N 1 0 263.345 0.335 10 0 CCAERO CO[C@@H](C[NH3+])C(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000261582853 137010190 /nfs/dbraw/zinc/01/01/90/137010190.db2.gz RLABMCBJULXLSC-MNOVXSKESA-N 1 0 252.318 0.057 10 0 CCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCN(CC(F)F)CC1 ZINC000261626072 137012569 /nfs/dbraw/zinc/01/25/69/137012569.db2.gz BIHGVQCNIGVSEM-GHMZBOCLSA-N 1 0 275.343 0.771 10 0 CCAERO CN(CC1CC1)C(=O)CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261639191 137013468 /nfs/dbraw/zinc/01/34/68/137013468.db2.gz GCCZGNPJJNCURK-GFCCVEGCSA-N 1 0 253.390 0.914 10 0 CCAERO C[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)c1ccccn1 ZINC000262359225 137040142 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283.416 0.602 10 0 CCAERO COCC[N@@H+]1CCN(CC2=CCCOC2)C[C@H]1C ZINC000120842981 350009066 /nfs/dbraw/zinc/00/90/66/350009066.db2.gz XNCLCCMFLJUSRH-CYBMUJFWSA-N 1 0 254.374 0.986 10 0 CCAERO Cn1ncc(NCC[NH2+]C2CC2)c(Br)c1=O ZINC000123402474 350074567 /nfs/dbraw/zinc/07/45/67/350074567.db2.gz DUZAUHRBAIQVGE-UHFFFAOYSA-N 1 0 287.161 0.707 10 0 CCAERO COCC[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000104423277 185996793 /nfs/dbraw/zinc/99/67/93/185996793.db2.gz NBUDGYMEHLLDNR-UHFFFAOYSA-N 1 0 286.344 0.487 10 0 CCAERO CC[C@H](C(=O)NC[C@H](C)N1CCOCC1)[NH+](C)C ZINC000124752359 350106368 /nfs/dbraw/zinc/10/63/68/350106368.db2.gz JLMMGOBFQPNCJV-NWDGAFQWSA-N 1 0 257.378 0.164 10 0 CCAERO CN(C)c1ccc(C(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1 ZINC000124341635 350096992 /nfs/dbraw/zinc/09/69/92/350096992.db2.gz YSKCVCJSPGEFBT-AWEZNQCLSA-N 1 0 276.384 0.468 10 0 CCAERO CN(CCC[NH3+])S(=O)(=O)NCC1(C)CCCC1 ZINC000104442338 186004485 /nfs/dbraw/zinc/00/44/85/186004485.db2.gz NGMNNTPXDOKKOQ-UHFFFAOYSA-N 1 0 263.407 0.682 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268.361 0.001 10 0 CCAERO CCNC(=O)C(C)(C)CNC(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000129156705 350206455 /nfs/dbraw/zinc/20/64/55/350206455.db2.gz HNOLPDHORYNJID-GFCCVEGCSA-N 1 0 298.431 0.932 10 0 CCAERO COCC[N@H+](C)CCCNC(=O)N1CCN(C2CC2)CC1 ZINC000105147315 186043175 /nfs/dbraw/zinc/04/31/75/186043175.db2.gz QIQJXSOBBYHHSS-UHFFFAOYSA-N 1 0 298.431 0.444 10 0 CCAERO CCOCCN1CC[N@H+](CCC(=O)N(C)CC)C[C@H]1C ZINC000130350180 350236155 /nfs/dbraw/zinc/23/61/55/350236155.db2.gz HKYHXPFAXFHPJD-CQSZACIVSA-N 1 0 285.432 0.897 10 0 CCAERO CNC(=O)C(C)(C)CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000130513129 350239261 /nfs/dbraw/zinc/23/92/61/350239261.db2.gz WZGMUBRFVQOALQ-VXGBXAGGSA-N 1 0 296.415 0.637 10 0 CCAERO CC[C@@H](O)C[NH+]1CCN(CCC(=O)N(C)CC)CC1 ZINC000130551061 350240737 /nfs/dbraw/zinc/24/07/37/350240737.db2.gz BYDQDBUWBRLJFS-CYBMUJFWSA-N 1 0 271.405 0.243 10 0 CCAERO CC(C)(C(=O)NCC1CCCC1)N1CC[NH2+]CC1 ZINC000131213460 350268352 /nfs/dbraw/zinc/26/83/52/350268352.db2.gz RGELVNAFHUXBTN-UHFFFAOYSA-N 1 0 253.390 0.977 10 0 CCAERO Cn1ccnc1CC1CC[NH+](CCOCCO)CC1 ZINC000132973535 350321333 /nfs/dbraw/zinc/32/13/33/350321333.db2.gz SVTAJTJFSWFXSQ-UHFFFAOYSA-N 1 0 267.373 0.684 10 0 CCAERO Cc1nc2n(n1)CCC[C@H]2NC(=O)NCC[NH+](C)C ZINC000133841094 350346311 /nfs/dbraw/zinc/34/63/11/350346311.db2.gz BVRAOKCERSRILD-SNVBAGLBSA-N 1 0 266.349 0.282 10 0 CCAERO C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccc(O)cc2)CCO1 ZINC000133832955 350346497 /nfs/dbraw/zinc/34/64/97/350346497.db2.gz IOPARZAXICEOSR-CQSZACIVSA-N 1 0 278.352 0.724 10 0 CCAERO CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000105871890 186080268 /nfs/dbraw/zinc/08/02/68/186080268.db2.gz OVIXNMSVVKJLPZ-CMPLNLGQSA-N 1 0 279.388 0.876 10 0 CCAERO CC[C@H](C(N)=O)[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000105863656 186081161 /nfs/dbraw/zinc/08/11/61/186081161.db2.gz YKKWUTQARDNLHG-CQSZACIVSA-N 1 0 293.415 0.543 10 0 CCAERO C[C@@]1(C(=O)NCCCC(=O)NC2CC2)CCCC[NH2+]1 ZINC000136169623 350417603 /nfs/dbraw/zinc/41/76/03/350417603.db2.gz IOAIHQIVQPSWSO-AWEZNQCLSA-N 1 0 267.373 0.694 10 0 CCAERO CCCNC(=O)CN1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000105825173 186073855 /nfs/dbraw/zinc/07/38/55/186073855.db2.gz TXBJGSUCILQHBD-CHWSQXEVSA-N 1 0 271.405 0.290 10 0 CCAERO CCOC(=O)[C@H](C)N1CC[N@H+](CCOC)[C@H](C)C1 ZINC000105834215 186075798 /nfs/dbraw/zinc/07/57/98/186075798.db2.gz XYAIWCOHQUWIRQ-NEPJUHHUSA-N 1 0 258.362 0.591 10 0 CCAERO CCOC(=O)CN(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915943 186088734 /nfs/dbraw/zinc/08/87/34/186088734.db2.gz TWBKZUPZCGIXNV-UHFFFAOYSA-N 1 0 294.399 0.842 10 0 CCAERO CC[C@H]1CN(CC(=O)N2CCCC2)CC[N@@H+]1C[C@@H](C)O ZINC000105912882 186089974 /nfs/dbraw/zinc/08/99/74/186089974.db2.gz DGIVPJCYCDNTHG-KGLIPLIRSA-N 1 0 283.416 0.386 10 0 CCAERO Cn1c(CN2CCO[C@@H](C[NH+](C)C)C2)nnc1C1CC1 ZINC000105924055 186090804 /nfs/dbraw/zinc/09/08/04/186090804.db2.gz HWBOKOPYRFSADZ-LBPRGKRZSA-N 1 0 279.388 0.455 10 0 CCAERO C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000105927271 186092284 /nfs/dbraw/zinc/09/22/84/186092284.db2.gz FQFYGCXBUUSQNQ-KFWWJZLASA-N 1 0 297.443 0.944 10 0 CCAERO C[C@@H](C(=O)NC1CCCC1)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105926767 186092545 /nfs/dbraw/zinc/09/25/45/186092545.db2.gz BRYIKZNNAQZOEC-GXTWGEPZSA-N 1 0 283.416 0.696 10 0 CCAERO CN1CC[NH2+]C[C@@H]1CN1C(=O)c2ccccc2C1=O ZINC000148677513 350474794 /nfs/dbraw/zinc/47/47/94/350474794.db2.gz HDRKZVOPUGQUEB-SNVBAGLBSA-N 1 0 259.309 0.186 10 0 CCAERO O=C([C@@H]1CCNC(=O)C1)N1CCC([NH+]2CCCC2)CC1 ZINC000154001492 350571447 /nfs/dbraw/zinc/57/14/47/350571447.db2.gz IFOGYYWCYDHMCQ-GFCCVEGCSA-N 1 0 279.384 0.599 10 0 CCAERO COC(=O)CNC(=O)CC[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000152859206 350543211 /nfs/dbraw/zinc/54/32/11/350543211.db2.gz AOSRMFXJBQGEDA-VXGBXAGGSA-N 1 0 284.356 0.167 10 0 CCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC000155681520 350620761 /nfs/dbraw/zinc/62/07/61/350620761.db2.gz XQCPVNRVCCXEGE-UPJWGTAASA-N 1 0 296.415 0.622 10 0 CCAERO C[NH+](C)C[C@@H]1CN(CC(=O)NC(C2CC2)C2CC2)CCO1 ZINC000155277381 350615078 /nfs/dbraw/zinc/61/50/78/350615078.db2.gz UZXKWENBRCZDJX-CQSZACIVSA-N 1 0 295.427 0.554 10 0 CCAERO C[C@H]1CN(C(=O)C(C)(C)N2CC[NH2+]CC2)CCS1 ZINC000156953443 350637753 /nfs/dbraw/zinc/63/77/53/350637753.db2.gz FXGXCLGRFWKHFE-NSHDSACASA-N 1 0 271.430 0.634 10 0 CCAERO C[C@@H]([NH3+])[C@@H]1CN(CN2C(=O)c3ccccc3C2=O)CCO1 ZINC000156522973 350631349 /nfs/dbraw/zinc/63/13/49/350631349.db2.gz SDHHHQVQLVTWGE-MFKMUULPSA-N 1 0 289.335 0.288 10 0 CCAERO C[C@@H]1CC[C@@H](C(=O)N2CC[NH+](C3CCOCC3)CC2)O1 ZINC000159275499 350674567 /nfs/dbraw/zinc/67/45/67/350674567.db2.gz OJDHLKFUZCPRIL-OCCSQVGLSA-N 1 0 282.384 0.877 10 0 CCAERO COC[C@@H]([NH3+])C(=O)NCc1ccc(C(=O)OC)cc1 ZINC000167926202 350817203 /nfs/dbraw/zinc/81/72/03/350817203.db2.gz HDLMFPLGDOEXKX-LLVKDONJSA-N 1 0 266.297 0.063 10 0 CCAERO CCOC(=O)c1sc(N2CC[NH2+]CC2)nc1N ZINC000163787329 350773026 /nfs/dbraw/zinc/77/30/26/350773026.db2.gz NFNBUQQBXUEVMH-UHFFFAOYSA-N 1 0 256.331 0.312 10 0 CCAERO CCOC(=O)[C@H]1CCCN(C(=O)C2(C[NH3+])CCOCC2)C1 ZINC000165981987 350794625 /nfs/dbraw/zinc/79/46/25/350794625.db2.gz FUJWQCYXSQBBGL-LBPRGKRZSA-N 1 0 298.383 0.544 10 0 CCAERO Cc1cnc(C(=O)N2C[C@H](CO)C3(C2)CC[NH2+]CC3)cn1 ZINC000169789438 350839857 /nfs/dbraw/zinc/83/98/57/350839857.db2.gz HFWQTAWSLZDXBP-GFCCVEGCSA-N 1 0 290.367 0.219 10 0 CCAERO CC(=O)N1C[C@H](CO)C2(C1)CC[NH+](C1CCOCC1)CC2 ZINC000169791342 350840289 /nfs/dbraw/zinc/84/02/89/350840289.db2.gz INLMNEQRDYTYCP-CQSZACIVSA-N 1 0 296.411 0.718 10 0 CCAERO C[NH+](C)[C@H]1CCN(C(=O)NCCc2ccccn2)C1 ZINC000170861840 350868754 /nfs/dbraw/zinc/86/87/54/350868754.db2.gz SBZLAJSXYLPMPF-ZDUSSCGKSA-N 1 0 262.357 0.970 10 0 CCAERO C[NH+](C)[C@H]1CCN(C(=O)NCC(C)(C)N2CCOCC2)C1 ZINC000170862509 350868765 /nfs/dbraw/zinc/86/87/65/350868765.db2.gz SZKPETWROHAMCE-ZDUSSCGKSA-N 1 0 298.431 0.443 10 0 CCAERO Cc1noc(C)c1CC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170860167 350868978 /nfs/dbraw/zinc/86/89/78/350868978.db2.gz XNDNAEMKJQTRAE-NSHDSACASA-N 1 0 251.330 0.996 10 0 CCAERO CC(C)CS(=O)(=O)CCC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170865908 350869435 /nfs/dbraw/zinc/86/94/35/350869435.db2.gz ZBWTZMOIFGABBS-LBPRGKRZSA-N 1 0 290.429 0.610 10 0 CCAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc3nncn3c2)C1 ZINC000170863856 350869469 /nfs/dbraw/zinc/86/94/69/350869469.db2.gz HSKLSQADUNYQOE-LLVKDONJSA-N 1 0 259.313 0.505 10 0 CCAERO O[C@@H](Cn1cccn1)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171638761 350922912 /nfs/dbraw/zinc/92/29/12/350922912.db2.gz GPNZFXDZPXSEHU-CHWSQXEVSA-N 1 0 250.346 0.024 10 0 CCAERO O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)NC1CCOCC1 ZINC000171638126 350923099 /nfs/dbraw/zinc/92/30/99/350923099.db2.gz UZWUZKYRSROFME-CYBMUJFWSA-N 1 0 267.373 0.062 10 0 CCAERO CC(C)NC(=O)NC(=O)[C@@H](C)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171641263 350924630 /nfs/dbraw/zinc/92/46/30/350924630.db2.gz DGSVBIZTXOPTPZ-VXGBXAGGSA-N 1 0 282.388 0.389 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)C[C@@H]1CCOC1 ZINC000172107728 350958574 /nfs/dbraw/zinc/95/85/74/350958574.db2.gz RJNRTRRLCPLFNZ-JHJVBQTASA-N 1 0 288.413 0.521 10 0 CCAERO C[NH+](C)[C@@H]1CCN(S(=O)(=O)CC2CCOCC2)C1 ZINC000173112142 351026689 /nfs/dbraw/zinc/02/66/89/351026689.db2.gz KAPAFNDUMSWEJO-GFCCVEGCSA-N 1 0 276.402 0.379 10 0 CCAERO CCOCC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000173295209 351034570 /nfs/dbraw/zinc/03/45/70/351034570.db2.gz YXJDWSRLOXNXFD-AWEZNQCLSA-N 1 0 283.416 0.651 10 0 CCAERO Cc1nc(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)no1 ZINC000173503959 351041524 /nfs/dbraw/zinc/04/15/24/351041524.db2.gz KFPGOXQLGZAADV-NSHDSACASA-N 1 0 279.344 0.758 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)c1cnn(C)c1 ZINC000174982182 351112984 /nfs/dbraw/zinc/11/29/84/351112984.db2.gz GQMWNUXIONXPNZ-CHWSQXEVSA-N 1 0 290.367 0.688 10 0 CCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)NC(N)=O ZINC000175053733 351116183 /nfs/dbraw/zinc/11/61/83/351116183.db2.gz MOPCCNDGOLFQAV-WDEREUQCSA-N 1 0 268.361 0.130 10 0 CCAERO C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C2CC2)CCO1 ZINC000176093349 351156990 /nfs/dbraw/zinc/15/69/90/351156990.db2.gz WBSOWHVMPRGQGL-UPJWGTAASA-N 1 0 252.358 0.822 10 0 CCAERO C[NH+](C)CCCOC1CCN(C(=O)[C@H]2CNC(=O)C2)CC1 ZINC000177096226 351193520 /nfs/dbraw/zinc/19/35/20/351193520.db2.gz WBCLXNJWSGTUKA-GFCCVEGCSA-N 1 0 297.399 0.082 10 0 CCAERO COC(C)(C)C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000176449297 351175553 /nfs/dbraw/zinc/17/55/53/351175553.db2.gz AKDJBWIBJYMKKD-LBPRGKRZSA-N 1 0 286.416 0.963 10 0 CCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2CN(C)CCO2)C1 ZINC000176546393 351178393 /nfs/dbraw/zinc/17/83/93/351178393.db2.gz HEDQNVGTTGYACA-MCIONIFRSA-N 1 0 298.431 0.345 10 0 CCAERO CCc1nc2n(n1)CCC[C@@H]2NC(=O)CC(C)(C)[NH3+] ZINC000178866392 351250340 /nfs/dbraw/zinc/25/03/40/351250340.db2.gz NKXDACQKFNWQHG-VIFPVBQESA-N 1 0 265.361 0.919 10 0 CCAERO CCC[C@@H](NC(N)=O)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177280640 351199888 /nfs/dbraw/zinc/19/98/88/351199888.db2.gz BNVYYKHYOHUJLQ-VXGBXAGGSA-N 1 0 282.388 0.520 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCCC(=O)N(C)C ZINC000177430948 351203716 /nfs/dbraw/zinc/20/37/16/351203716.db2.gz AFWDWWXFCWEQLC-CYBMUJFWSA-N 1 0 298.431 0.981 10 0 CCAERO Cc1cc(=O)[nH]cc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177741948 351211887 /nfs/dbraw/zinc/21/18/87/351211887.db2.gz LFQBBYFEFYGJEI-NSHDSACASA-N 1 0 261.325 0.604 10 0 CCAERO C[C@H](CN1CCOCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000180624154 351290871 /nfs/dbraw/zinc/29/08/71/351290871.db2.gz HOIYBVQYTXVPEV-ZIAGYGMSSA-N 1 0 253.390 0.487 10 0 CCAERO CO[C@H](C)CCC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000183621427 351385033 /nfs/dbraw/zinc/38/50/33/351385033.db2.gz WJVHEHYZKKALSU-VXGBXAGGSA-N 1 0 258.362 0.591 10 0 CCAERO O=C(CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)NCC1CC1 ZINC000183779465 351390668 /nfs/dbraw/zinc/39/06/68/351390668.db2.gz JTHRKTHYVDCJNW-ZDUSSCGKSA-N 1 0 294.399 0.392 10 0 CCAERO COCC[N@@H+]1CCN(Cc2noc(COC)n2)C[C@H]1C ZINC000182441311 351362914 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O=C(NC1C[NH2+]C1)N1CC[C@]2(C1)OCc1ccccc12 ZINC000335379947 354994871 /nfs/dbraw/zinc/99/48/71/354994871.db2.gz UOPBDKSTFWGWEZ-OAHLLOKOSA-N 1 0 273.336 0.799 10 0 CCAERO Cc1ncccc1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000172306696 188794672 /nfs/dbraw/zinc/79/46/72/188794672.db2.gz TXRVNXDAIPXZDA-LBPRGKRZSA-N 1 0 263.341 0.793 10 0 CCAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)NCC2(O)CCC2)C1 ZINC000341610489 355703699 /nfs/dbraw/zinc/70/36/99/355703699.db2.gz KBCVZDWGTRGCKP-WDEREUQCSA-N 1 0 255.362 0.683 10 0 CCAERO Cc1noc(CN(C)C(=O)[C@@H]2CCC[NH2+][C@@H]2C)n1 ZINC000655527616 412613012 /nfs/dbraw/zinc/61/30/12/412613012.db2.gz XSTQQTPUUDLKJC-PSASIEDQSA-N 1 0 252.318 0.725 10 0 CCAERO C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CCCNC1=O ZINC000407981949 137818465 /nfs/dbraw/zinc/81/84/65/137818465.db2.gz CWSWZMUFHLYKKD-VXGBXAGGSA-N 1 0 282.388 0.439 10 0 CCAERO Cc1nccc(CN2CC[C@@H]([N@H+](C)CCO)[C@@H]2C)n1 ZINC000353600279 356257877 /nfs/dbraw/zinc/25/78/77/356257877.db2.gz YJHBMYYRMXGOKZ-SMDDNHRTSA-N 1 0 264.373 0.672 10 0 CCAERO Cn1nccc1[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@@H](O)C1 ZINC000328944724 202126398 /nfs/dbraw/zinc/12/63/98/202126398.db2.gz JIQKOTTVMNNROT-DMDPSCGWSA-N 1 0 251.330 0.564 10 0 CCAERO CN1C[C@H](NC(=O)N2CCC3(CC[NH2+]C3)CC2)CC1=O ZINC000333638207 283236024 /nfs/dbraw/zinc/23/60/24/283236024.db2.gz UCXXNOABJDHUMB-LLVKDONJSA-N 1 0 280.372 0.002 10 0 CCAERO C[C@H](NC(N)=O)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000262446851 299258232 /nfs/dbraw/zinc/25/82/32/299258232.db2.gz JBCJNQGUPDSOBO-NSHDSACASA-N 1 0 278.356 0.421 10 0 CCAERO CCn1c(C)nnc1CN1CCCC[C@H]1C(=[NH2+])NO ZINC000372328525 357376661 /nfs/dbraw/zinc/37/66/61/357376661.db2.gz ZYUSXBALJDIHCY-JTQLQIEISA-N 1 0 266.349 0.917 10 0 CCAERO Cc1nc(N[C@@H]2CC[C@@H](C[NH3+])C2)sc1S(N)(=O)=O ZINC000382419970 357713104 /nfs/dbraw/zinc/71/31/04/357713104.db2.gz JWYOGYZCWWKMLB-HTQZYQBOSA-N 1 0 290.414 0.638 10 0 CCAERO CCn1cc(C[NH2+][C@@H]2CCCN(CCO)C2)cn1 ZINC000384371568 357720765 /nfs/dbraw/zinc/72/07/65/357720765.db2.gz 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C[C@@H]1C[N@H+](CC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@H]1C(N)=O ZINC000408046635 357886746 /nfs/dbraw/zinc/88/67/46/357886746.db2.gz COPRCUMPBAZNJA-UMSGYPCISA-N 1 0 281.400 0.735 10 0 CCAERO NC(=O)[C@@]1(O)CCC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000408047000 357887271 /nfs/dbraw/zinc/88/72/71/357887271.db2.gz FBCWWPRIHZMTRW-WCQYABFASA-N 1 0 256.346 0.258 10 0 CCAERO CO[C@H]1C[C@@H](C(=O)N2CC[C@H](C(C)(C)C)[C@H](O)C2)[N@H+](C)C1 ZINC000408048036 357888528 /nfs/dbraw/zinc/88/85/28/357888528.db2.gz UUDVVKYPXZYTIT-XDQVBPFNSA-N 1 0 298.427 0.961 10 0 CCAERO CSCC[C@H](O)C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000408061437 357895624 /nfs/dbraw/zinc/89/56/24/357895624.db2.gz LBXCSUOLSBFJDS-GRYCIOLGSA-N 1 0 288.413 0.032 10 0 CCAERO C[C@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C ZINC000408080036 357908072 /nfs/dbraw/zinc/90/80/72/357908072.db2.gz AXUWVUKGIHZSCL-FVCCEPFGSA-N 1 0 270.373 0.325 10 0 CCAERO Cc1c[nH]cc(C(=O)N2CC[C@H](N3CCOCC3)C2)c1=O ZINC000408135498 357933602 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CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[S@](=O)C2)C1 ZINC000408309674 358026476 /nfs/dbraw/zinc/02/64/76/358026476.db2.gz NTXSNPJKYMAWCV-CRTZDJKQSA-N 1 0 287.429 0.491 10 0 CCAERO CCCNS(=O)(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000408362934 358053743 /nfs/dbraw/zinc/05/37/43/358053743.db2.gz SBZGZJHAJMFOMG-NEPJUHHUSA-N 1 0 293.433 0.008 10 0 CCAERO C[NH+](C)[C@H]1CCCN(S(=O)(=O)NC2CCCC2)C1 ZINC000408378454 358062287 /nfs/dbraw/zinc/06/22/87/358062287.db2.gz FBOCEIAVRLUSML-LBPRGKRZSA-N 1 0 275.418 0.789 10 0 CCAERO O=C(NC1CC[NH+](C2CC2)CC1)N1CCO[C@H](CO)C1 ZINC000408379520 358063040 /nfs/dbraw/zinc/06/30/40/358063040.db2.gz LMTVBHDRHJEAGY-ZDUSSCGKSA-N 1 0 283.372 0.016 10 0 CCAERO C[C@@H](CNC(=O)N1CCO[C@@H](CO)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000408379262 358063191 /nfs/dbraw/zinc/06/31/91/358063191.db2.gz JWWNSHJIEJUNND-HZSPNIEDSA-N 1 0 299.415 0.510 10 0 CCAERO Cc1nc2n(n1)CCC[C@H]2NC(=O)NC1CC[NH+](C)CC1 ZINC000408403803 358075750 /nfs/dbraw/zinc/07/57/50/358075750.db2.gz DAIAFZGLMCQGCY-GFCCVEGCSA-N 1 0 292.387 0.815 10 0 CCAERO Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC1CC[NH+](C)CC1 ZINC000408403806 358075924 /nfs/dbraw/zinc/07/59/24/358075924.db2.gz DAIAFZGLMCQGCY-LBPRGKRZSA-N 1 0 292.387 0.815 10 0 CCAERO Cc1cc(O)cc(=O)n1CCC(=O)N1CCN(C)C[C@@H]1C ZINC000408416978 358082382 /nfs/dbraw/zinc/08/23/82/358082382.db2.gz RYAAYUOWAHLARQ-LBPRGKRZSA-N 1 0 293.367 0.415 10 0 CCAERO C[NH2+]CC(=O)N1C[C@H](C(F)(F)F)[C@H](COC)C1 ZINC000409435234 358112921 /nfs/dbraw/zinc/11/29/21/358112921.db2.gz TVQIUXYCGQZGML-YUMQZZPRSA-N 1 0 254.252 0.489 10 0 CCAERO C[C@]1(F)CNCCN(C(=O)C[C@H]2CCC[NH2+]CC2)C1 ZINC000336221789 213048812 /nfs/dbraw/zinc/04/88/12/213048812.db2.gz HFOHYQFBRNHPSV-JSGCOSHPSA-N 1 0 271.380 0.926 10 0 CCAERO COC[C@H]1CN(CC(=[NH2+])NO)C[C@@H]1C(F)(F)F ZINC000409436238 358112832 /nfs/dbraw/zinc/11/28/32/358112832.db2.gz YUJXVBYCWIJYSK-RQJHMYQMSA-N 1 0 255.240 0.699 10 0 CCAERO OC[C@H]1CN(C2CC[NH2+]CC2)C[C@H]1C(F)(F)F ZINC000409434393 358113259 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ZINC000584624308 359183036 /nfs/dbraw/zinc/18/30/36/359183036.db2.gz VDEMXMSZUIXRFE-UHFFFAOYSA-N 1 0 272.312 0.231 10 0 CCAERO Cn1cc(C[N@@H+]2CCCN(Cc3c[nH]cn3)CC2)cn1 ZINC000179523967 189199673 /nfs/dbraw/zinc/19/96/73/189199673.db2.gz PCTUQSWZTKCKCV-UHFFFAOYSA-N 1 0 274.372 0.851 10 0 CCAERO CC(C)C(=O)N[C@@H]1CCCN(c2cc[nH+]cc2C(N)=O)C1 ZINC000302206282 201396268 /nfs/dbraw/zinc/39/62/68/201396268.db2.gz DRJJZCSPLQHZRR-LLVKDONJSA-N 1 0 290.367 0.922 10 0 CCAERO CC(C)(C)OC(=O)NCC[C@H]1CN(CCO)CC[NH2+]1 ZINC000616632125 365392136 /nfs/dbraw/zinc/39/21/36/365392136.db2.gz MCIPAFMDOCJBJI-NSHDSACASA-N 1 0 273.377 0.167 10 0 CCAERO CC(C)(C)OC(=O)NC[C@H]1COCCN1CC[NH3+] ZINC000616638354 365396800 /nfs/dbraw/zinc/39/68/00/365396800.db2.gz GGQVOTXNZVBTOV-JTQLQIEISA-N 1 0 259.350 0.171 10 0 CCAERO CC(=O)Nc1ccc([C@@H]2C[NH2+]CCN2C(N)=O)cc1 ZINC000616639185 365398794 /nfs/dbraw/zinc/39/87/94/365398794.db2.gz QDLAYWUIMXHKRK-LBPRGKRZSA-N 1 0 262.313 0.670 10 0 CCAERO NC(=O)N1CC[NH2+]C[C@@H]1c1cccc2ccnnc21 ZINC000616638819 365398835 /nfs/dbraw/zinc/39/88/35/365398835.db2.gz INDVSBTWRYZCFA-LLVKDONJSA-N 1 0 257.297 0.655 10 0 CCAERO [NH3+]CCN1CCO[C@@H](c2cccc3ccnnc32)C1 ZINC000616646286 365405427 /nfs/dbraw/zinc/40/54/27/365405427.db2.gz KSRCLLVJMZROKD-CYBMUJFWSA-N 1 0 258.325 0.962 10 0 CCAERO [NH3+]CC[C@H]1CN(S(=O)(=O)c2ccccc2)CCCO1 ZINC000616655392 365411208 /nfs/dbraw/zinc/41/12/08/365411208.db2.gz YNNGJNDLTLKOIY-LBPRGKRZSA-N 1 0 284.381 0.815 10 0 CCAERO OCC[N@@H+]1CCO[C@@H](c2cccc(CO)c2)CC1 ZINC000616594794 365377801 /nfs/dbraw/zinc/37/78/01/365377801.db2.gz HQJGBPRVCAMDBE-CQSZACIVSA-N 1 0 251.326 0.935 10 0 CCAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCOCC[C@@H]1CCO ZINC000616657042 365411479 /nfs/dbraw/zinc/41/14/79/365411479.db2.gz HFGFVJJHVDIWQR-LBPRGKRZSA-N 1 0 288.388 0.984 10 0 CCAERO CC(C)(C)OC(=O)NCCN1CCOCC[C@H]1C[NH3+] ZINC000616657910 365412535 /nfs/dbraw/zinc/41/25/35/365412535.db2.gz ZWZYNCXTJSYART-NSHDSACASA-N 1 0 273.377 0.561 10 0 CCAERO NC(=O)c1cccc([C@@H]2COCCN(CC[NH3+])C2)c1 ZINC000616661596 365413777 /nfs/dbraw/zinc/41/37/77/365413777.db2.gz UVGYSOFYZXZXGF-ZDUSSCGKSA-N 1 0 263.341 0.160 10 0 CCAERO CC[N@H+](CC(=O)N[C@@H]1C[C@H](O)[C@H]1n1cccn1)C1CC1 ZINC000616773271 365449199 /nfs/dbraw/zinc/44/91/99/365449199.db2.gz RZJLYPSGXMRUBB-DYEKYZERSA-N 1 0 278.356 0.158 10 0 CCAERO O=C(NC1C[NH2+]C1)N1CC[C@@H](C2CCOCC2)C1 ZINC000335377627 283940613 /nfs/dbraw/zinc/94/06/13/283940613.db2.gz HUKULYUEWVQDIX-LLVKDONJSA-N 1 0 253.346 0.416 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCN(C(=O)N(C)C)CC1 ZINC000335535421 212232776 /nfs/dbraw/zinc/23/27/76/212232776.db2.gz MNKDDWBJZKYFTF-NWDGAFQWSA-N 1 0 282.388 0.200 10 0 CCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)CNC(=O)c1cccc(F)c1 ZINC000335504982 212187917 /nfs/dbraw/zinc/18/79/17/212187917.db2.gz MDNPVNOYCOZOIF-JOYOIKCWSA-N 1 0 279.315 0.504 10 0 CCAERO O=C(N[C@H]1CCC[NH2+]C1)N1CCc2cc[nH]c(=O)c2C1 ZINC000333739040 284172522 /nfs/dbraw/zinc/17/25/22/284172522.db2.gz XHJNCSDUDPLNKX-NSHDSACASA-N 1 0 276.340 0.607 10 0 CCAERO COCc1ccc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)o1 ZINC000629648755 369748296 /nfs/dbraw/zinc/74/82/96/369748296.db2.gz UPJWKGRJYROYMB-QWHCGFSZSA-N 1 0 252.314 0.599 10 0 CCAERO CCCCS(=O)(=O)N1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630358308 370061015 /nfs/dbraw/zinc/06/10/15/370061015.db2.gz HZZDBBCIBGBGJD-WDEREUQCSA-N 1 0 264.391 0.554 10 0 CCAERO CO[C@H]1CN(S(=O)(=O)c2ccsc2)[C@@](C)(C[NH3+])C1 ZINC000630358653 370061286 /nfs/dbraw/zinc/06/12/86/370061286.db2.gz AKAUVUIXZDFWKN-MWLCHTKSSA-N 1 0 290.410 0.875 10 0 CCAERO CO[C@H]1CN(C(=O)c2c(C)noc2C)[C@@](C)(C[NH3+])C1 ZINC000630360974 370063379 /nfs/dbraw/zinc/06/33/79/370063379.db2.gz RJLMBMAQLLPQTH-ZWNOBZJWSA-N 1 0 267.329 0.870 10 0 CCAERO CO[C@@H]1CN(CCOC[C@@H]2CCCO2)[C@@](C)(C[NH3+])C1 ZINC000630365645 370066642 /nfs/dbraw/zinc/06/66/42/370066642.db2.gz RUXYZCNUBWLNFO-MELADBBJSA-N 1 0 272.389 0.620 10 0 CCAERO CO[C@@H]1CN(S(=O)(=O)N2CCCCC2)[C@@](C)(C[NH3+])C1 ZINC000630366236 370067785 /nfs/dbraw/zinc/06/77/85/370067785.db2.gz WXCWWFINXUCWMI-NWDGAFQWSA-N 1 0 291.417 0.155 10 0 CCAERO CO[C@@H]1CN(Cc2cn3cccnc3n2)[C@@](C)(C[NH3+])C1 ZINC000630366543 370067990 /nfs/dbraw/zinc/06/79/90/370067990.db2.gz MGAPEHMQYANBHN-GXTWGEPZSA-N 1 0 275.356 0.667 10 0 CCAERO CO[C@@H]1CN(C(=O)[C@H]2CCCOC2)[C@@](C)(C[NH3+])C1 ZINC000630368816 370069686 /nfs/dbraw/zinc/06/96/86/370069686.db2.gz IBFARIXPBQOKQR-GMXVVIOVSA-N 1 0 256.346 0.378 10 0 CCAERO CO[C@H]1CN(C(=O)c2cc(C)no2)[C@](C)(C[NH3+])C1 ZINC000630368683 370070378 /nfs/dbraw/zinc/07/03/78/370070378.db2.gz SUBSHPYLSBMFIG-SKDRFNHKSA-N 1 0 253.302 0.561 10 0 CCAERO CO[C@H]1CN(C(=O)CCc2ccccn2)[C@](C)(C[NH3+])C1 ZINC000630370920 370072022 /nfs/dbraw/zinc/07/20/22/370072022.db2.gz IACGGPMNMGIMPR-HIFRSBDPSA-N 1 0 277.368 0.979 10 0 CCAERO CO[C@H]1CN(C(=O)CC2(OC)CCC2)[C@](C)(C[NH3+])C1 ZINC000630376463 370079430 /nfs/dbraw/zinc/07/94/30/370079430.db2.gz XCAIBTILUXHRPJ-YPMHNXCESA-N 1 0 270.373 0.910 10 0 CCAERO CO[C@H]1CN(C(=O)CCOCC(F)F)[C@](C)(C[NH3+])C1 ZINC000630377178 370079694 /nfs/dbraw/zinc/07/96/94/370079694.db2.gz IVOIVJQNIWRGMH-SKDRFNHKSA-N 1 0 280.315 0.623 10 0 CCAERO Cn1ccnc(N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1=O ZINC000630526983 370147057 /nfs/dbraw/zinc/14/70/57/370147057.db2.gz FYYXTFQUMVCDKO-RKDXNWHRSA-N 1 0 290.289 0.744 10 0 CCAERO NS(=O)(=O)c1ccc(N[C@@H](C[NH3+])C2CCCC2)nc1 ZINC000236224294 189832743 /nfs/dbraw/zinc/83/27/43/189832743.db2.gz RCLBVXXRBFAFEU-NSHDSACASA-N 1 0 284.385 0.658 10 0 CCAERO O[C@H](CC[NH2+]C[C@H](O)COCc1ccco1)C(F)F ZINC000634725836 372172153 /nfs/dbraw/zinc/17/21/53/372172153.db2.gz FFOXWOZVBJPNBV-GXSJLCMTSA-N 1 0 279.283 0.763 10 0 CCAERO CC(=O)N1CCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC000634735967 372177874 /nfs/dbraw/zinc/17/78/74/372177874.db2.gz WAUDXMFSWZOWAP-JSGCOSHPSA-N 1 0 265.357 0.067 10 0 CCAERO CCN1CCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)CC1 ZINC000634763106 372211081 /nfs/dbraw/zinc/21/10/81/372211081.db2.gz NYGVHQNJTCCMEU-JSGCOSHPSA-N 1 0 251.374 0.540 10 0 CCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCO[C@@H](C(F)F)CC1 ZINC000634752888 372201695 /nfs/dbraw/zinc/20/16/95/372201695.db2.gz UUNGOFDXKOPKGZ-OPRDCNLKSA-N 1 0 262.300 0.725 10 0 CCAERO C[C@@H]1C[C@@H](O)C[N@@H+]([C@H]2CCCN(c3cnn(C)c3)C2=O)C1 ZINC000333072067 205007490 /nfs/dbraw/zinc/00/74/90/205007490.db2.gz KHYCZUPNLDKCCL-BNOWGMLFSA-N 1 0 292.383 0.618 10 0 CCAERO C[C@@]1(O)C[C@H](NC(=O)[C@@H]2COCCN2CC2CCC2)C1 ZINC000333126538 205050835 /nfs/dbraw/zinc/05/08/35/205050835.db2.gz HILWUBSFECSDLB-KCQAQPDRSA-N 1 0 282.384 0.517 10 0 CCAERO CN(C)c1cc(NC(=O)N[C@H]2CCCC[NH2+]C2)ncn1 ZINC000333281609 205179027 /nfs/dbraw/zinc/17/90/27/205179027.db2.gz HQIKTCCPKSCZQK-JTQLQIEISA-N 1 0 278.360 0.806 10 0 CCAERO C[C@@H]1CN(C(=O)c2ccccc2-n2ccnn2)C[C@@H]1[NH3+] ZINC000333302707 205199925 /nfs/dbraw/zinc/19/99/25/205199925.db2.gz QJIQYIMNEWEODY-PWSUYJOCSA-N 1 0 271.324 0.687 10 0 CCAERO CC[C@H]1CCC[C@@H]1NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333358099 205250855 /nfs/dbraw/zinc/25/08/55/205250855.db2.gz KQPHWGHAEIXWRI-BJDJZHNGSA-N 1 0 255.362 0.539 10 0 CCAERO Cc1cc(N(C)C)nc(NC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)n1 ZINC000333389366 205278747 /nfs/dbraw/zinc/27/87/47/205278747.db2.gz XECZGUTWBGBLLS-ONGXEEELSA-N 1 0 292.387 0.971 10 0 CCAERO Cc1cnn(CCNC(=O)N[C@@H]2CCCC[NH2+]C2)c1 ZINC000333450637 205330338 /nfs/dbraw/zinc/33/03/38/205330338.db2.gz XMMKLGHYSUHZAC-GFCCVEGCSA-N 1 0 265.361 0.633 10 0 CCAERO Cc1cc(CNC(=O)N[C@@H]2CCCC[NH2+]C2)n(C)n1 ZINC000333478937 205356623 /nfs/dbraw/zinc/35/66/23/205356623.db2.gz BEOCADHUUBEZOX-LLVKDONJSA-N 1 0 265.361 0.670 10 0 CCAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCC[C@](F)(CO)C1 ZINC000333478916 205357633 /nfs/dbraw/zinc/35/76/33/205357633.db2.gz BWEBGQJPTGISFT-DGCLKSJQSA-N 1 0 273.352 0.635 10 0 CCAERO [NH3+]C[C@]1(C(=O)N[C@@H]2CCC[C@@H](O)C2)CCCOC1 ZINC000637927185 374479488 /nfs/dbraw/zinc/47/94/88/374479488.db2.gz JPTBMYIDHGXTTO-NQBHXWOUSA-N 1 0 256.346 0.162 10 0 CCAERO C[C@H](NC(=O)[C@@]1(C[NH3+])CCCOC1)[C@H]1CCCO1 ZINC000637929014 374481529 /nfs/dbraw/zinc/48/15/29/374481529.db2.gz HDFNKTJNDKBHHX-DMDPSCGWSA-N 1 0 256.346 0.426 10 0 CCAERO CC(=O)N[C@@H]1CCCN(C(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000637922135 374475798 /nfs/dbraw/zinc/47/57/98/374475798.db2.gz LYXNAQAMWPJLMQ-NWDGAFQWSA-N 1 0 251.330 0.161 10 0 CCAERO CC(=O)N[C@H](C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)C(C)C ZINC000568500661 291597395 /nfs/dbraw/zinc/59/73/95/291597395.db2.gz XRAPODCEJQGSPZ-LOWDOPEQSA-N 1 0 267.373 0.343 10 0 CCAERO COC1CC(C(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)C1 ZINC000638229275 374819379 /nfs/dbraw/zinc/81/93/79/374819379.db2.gz IUMJZNXSQYAEAK-MMVSWEMESA-N 1 0 254.330 0.001 10 0 CCAERO C[C@H](CC(=O)NC[C@@H]1C[NH2+]C[C@H]1O)C(F)(F)F ZINC000638230852 374821972 /nfs/dbraw/zinc/82/19/72/374821972.db2.gz OSLPOTMOQSONDS-GJMOJQLCSA-N 1 0 254.252 0.271 10 0 CCAERO CC(C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CC(=O)N(C)C1 ZINC000638420939 375017735 /nfs/dbraw/zinc/01/77/35/375017735.db2.gz QRGFRCKHXRVYOH-WDEREUQCSA-N 1 0 255.362 0.344 10 0 CCAERO CN(C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)[C@H]1C[C@@H](C(N)=O)C1 ZINC000638699007 375305279 /nfs/dbraw/zinc/30/52/79/375305279.db2.gz PWADJIOJQRGOBM-BZNPZCIMSA-N 1 0 293.289 0.107 10 0 CCAERO Cc1nn(C)c(C)c1CC(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638890224 375429541 /nfs/dbraw/zinc/42/95/41/375429541.db2.gz CUGTVBUKFQZSAX-JOYOIKCWSA-N 1 0 264.373 0.633 10 0 CCAERO C[C@@H]1CN(C(=O)Cc2cn3ccccc3n2)C[C@@H]1C[NH3+] ZINC000638892575 375430350 /nfs/dbraw/zinc/43/03/50/375430350.db2.gz JPOTYYLAIGGQMV-NEPJUHHUSA-N 1 0 272.352 0.930 10 0 CCAERO Cc1nn(C)c(=O)c(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)c1C ZINC000638894557 375433047 /nfs/dbraw/zinc/43/30/47/375433047.db2.gz QDVNYRUEEVVQAN-LDYMZIIASA-N 1 0 278.356 0.064 10 0 CCAERO CCc1cc(=NC(=O)[C@]2(COC)CCC[NH2+]2)[nH][nH]1 ZINC000639013999 375517237 /nfs/dbraw/zinc/51/72/37/375517237.db2.gz UUDOGGZKZWENFI-GFCCVEGCSA-N 1 0 252.318 0.101 10 0 CCAERO C[C@H]1OCC[C@H]1NC(=O)N1CC[NH+]2CCC1CC2 ZINC000334327078 206374493 /nfs/dbraw/zinc/37/44/93/206374493.db2.gz BZBNPVVFAOAKRN-ZYHUDNBSSA-N 1 0 253.346 0.653 10 0 CCAERO CCc1nnc(Cn2cc([C@](C)([NH3+])CC)nn2)n1C ZINC000641062141 376732808 /nfs/dbraw/zinc/73/28/08/376732808.db2.gz SVRBJQJJFFJJJJ-GFCCVEGCSA-N 1 0 263.349 0.601 10 0 CCAERO CC(C)n1nnnc1Cn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000641036793 376697007 /nfs/dbraw/zinc/69/70/07/376697007.db2.gz QFAGKPCYDMJXAI-SNVBAGLBSA-N 1 0 276.348 0.361 10 0 CCAERO COCC[NH2+]CCc1cn(C[C@@H](O)C(C)(C)C)nn1 ZINC000641211443 376888247 /nfs/dbraw/zinc/88/82/47/376888247.db2.gz PALFPSGBTSMLOE-GFCCVEGCSA-N 1 0 270.377 0.464 10 0 CCAERO NS(=O)(=O)CCC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000178699142 295281142 /nfs/dbraw/zinc/28/11/42/295281142.db2.gz FCJCSOKHYWCFJK-RYUDHWBXSA-N 1 0 276.402 0.292 10 0 CCAERO CCC[C@@H](C(=O)NCCc1nc(C)no1)[NH+](C)C ZINC000126169057 284719423 /nfs/dbraw/zinc/71/94/23/284719423.db2.gz IKNOEWDDVFWNMJ-JTQLQIEISA-N 1 0 254.334 0.767 10 0 CCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCN(C)C(=O)[C@H]1C ZINC000187051517 284908595 /nfs/dbraw/zinc/90/85/95/284908595.db2.gz HBNIBRBXGNPANT-CHWSQXEVSA-N 1 0 298.431 0.835 10 0 CCAERO Cc1nc(N)sc1S[C@@H](C)C(=O)N1CC[NH2+]CC1 ZINC000043403250 184557736 /nfs/dbraw/zinc/55/77/36/184557736.db2.gz GQOVKJQIRJJVHJ-QMMMGPOBSA-N 1 0 286.426 0.946 10 0 CCAERO CC[C@H](C)CS(=O)(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000246032932 285000500 /nfs/dbraw/zinc/00/05/00/285000500.db2.gz ALJOFACZCFWXKH-AVGNSLFASA-N 1 0 292.445 0.749 10 0 CCAERO CC[N@H+](CC(=O)N1CCN(CCOC)[C@@H](C)C1)C1CC1 ZINC000246214871 285010218 /nfs/dbraw/zinc/01/02/18/285010218.db2.gz CQJGVKZHQZLTOJ-ZDUSSCGKSA-N 1 0 283.416 0.650 10 0 CCAERO CCOCCCC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246638591 285027649 /nfs/dbraw/zinc/02/76/49/285027649.db2.gz FOMIBBVYKDZGKG-STQMWFEESA-N 1 0 272.389 0.717 10 0 CCAERO COc1ccc(OCC(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000423950155 533000937 /nfs/dbraw/zinc/00/09/37/533000937.db2.gz 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258.325 0.464 10 0 CCAERO CCNC(=O)N1CCN(C(=O)C2CCC([NH3+])CC2)CC1 ZINC000041653991 397396459 /nfs/dbraw/zinc/39/64/59/397396459.db2.gz VRNMOEXUGXTFTP-UHFFFAOYSA-N 1 0 282.388 0.378 10 0 CCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000104206371 397408510 /nfs/dbraw/zinc/40/85/10/397408510.db2.gz SIGBWJKNJOIWEM-GRYCIOLGSA-N 1 0 262.357 0.971 10 0 CCAERO C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131288816 397413012 /nfs/dbraw/zinc/41/30/12/397413012.db2.gz AFCHRXYVLDLLFV-NEPJUHHUSA-N 1 0 253.390 0.975 10 0 CCAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(CCO)C2)C[C@H](C)O1 ZINC000384302400 397495586 /nfs/dbraw/zinc/49/55/86/397495586.db2.gz CGPJNFXFXSZCJI-XJFOESAGSA-N 1 0 256.390 0.989 10 0 CCAERO COc1ncc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)s1 ZINC000392924299 397513317 /nfs/dbraw/zinc/51/33/17/397513317.db2.gz LKTCZLCVWKBEDL-CBAPKCEASA-N 1 0 255.343 0.908 10 0 CCAERO [NH3+]C1CCC(C(=O)NCC(=O)NCC(F)(F)F)CC1 ZINC000393722627 397514711 /nfs/dbraw/zinc/51/47/11/397514711.db2.gz IRRXMLDGRCLRRQ-UHFFFAOYSA-N 1 0 281.278 0.299 10 0 CCAERO CCO[C@@]1(C(F)(F)F)CCN(C(=O)CC[NH3+])C1 ZINC000409428722 397524483 /nfs/dbraw/zinc/52/44/83/397524483.db2.gz GYDDVVVNZZCZSS-VIFPVBQESA-N 1 0 254.252 0.905 10 0 CCAERO CC(C)n1ccnc1CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000649419107 397610033 /nfs/dbraw/zinc/61/00/33/397610033.db2.gz FTJFFGOIAHTXCH-CQSZACIVSA-N 1 0 277.416 0.944 10 0 CCAERO CCOCC[N@@H+]1CCN([C@H](C)C(=O)N(C)C)C[C@H]1CC ZINC000246991411 286090627 /nfs/dbraw/zinc/09/06/27/286090627.db2.gz AZNPUFWGFZVJMI-ZIAGYGMSSA-N 1 0 285.432 0.896 10 0 CCAERO CCOCCOCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247465766 286101525 /nfs/dbraw/zinc/10/15/25/286101525.db2.gz RFMBRLUKYZNEPW-OLZOCXBDSA-N 1 0 270.373 0.735 10 0 CCAERO CN(C)S(=O)(=O)CC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000311393611 289244114 /nfs/dbraw/zinc/24/41/14/289244114.db2.gz BHHNKWWVHZKGKO-OLZOCXBDSA-N 1 0 290.429 0.505 10 0 CCAERO CCOCCS(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247486058 286122443 /nfs/dbraw/zinc/12/24/43/286122443.db2.gz TVLXUJSZPMNOIL-VXGBXAGGSA-N 1 0 276.402 0.521 10 0 CCAERO COC[C@H](CCNC(=O)C[C@@H]1CCC[NH2+]C1)OC ZINC000659334424 413428344 /nfs/dbraw/zinc/42/83/44/413428344.db2.gz BUAMCTGUPZFBGY-RYUDHWBXSA-N 1 0 258.362 0.544 10 0 CCAERO COC[C@@H](CCNC(=O)C[C@H]1CCC[NH2+]C1)OC ZINC000659334427 413427247 /nfs/dbraw/zinc/42/72/47/413427247.db2.gz BUAMCTGUPZFBGY-VXGBXAGGSA-N 1 0 258.362 0.544 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)Cc1cn(C)nn1 ZINC000659369042 413453510 /nfs/dbraw/zinc/45/35/10/413453510.db2.gz SHQVEOMKJUMVJW-GXSJLCMTSA-N 1 0 251.334 0.162 10 0 CCAERO CN1CCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CCC1=O ZINC000659374167 413458728 /nfs/dbraw/zinc/45/87/28/413458728.db2.gz HZWSZVKTOYBCTQ-QWRGUYRKSA-N 1 0 253.346 0.052 10 0 CCAERO C[C@@H]([NH2+]CC(=O)N(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000037207827 287014687 /nfs/dbraw/zinc/01/46/87/287014687.db2.gz PXRJUDMPTOMULQ-SNVBAGLBSA-N 1 0 284.381 0.829 10 0 CCAERO CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333940206 287031410 /nfs/dbraw/zinc/03/14/10/287031410.db2.gz NVHURQLYZLJUDO-VOAKCMCISA-N 1 0 269.389 0.929 10 0 CCAERO CC(C)[NH2+]C[C@H](O)COc1cccc2c1OC[C@H](O)C2 ZINC000005760481 170137806 /nfs/dbraw/zinc/13/78/06/170137806.db2.gz GEKRLAMHPJMGFS-OLZOCXBDSA-N 1 0 281.352 0.720 10 0 CCAERO OCC1(C[NH2+]C[C@@H](O)COCc2ccco2)CC1 ZINC000122380702 411706162 /nfs/dbraw/zinc/70/61/62/411706162.db2.gz KWNUUAKMJZQBOO-LLVKDONJSA-N 1 0 255.314 0.519 10 0 CCAERO COc1cccnc1N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000128348133 411716029 /nfs/dbraw/zinc/71/60/29/411716029.db2.gz FPOWXEMEHHFPQS-LLVKDONJSA-N 1 0 278.356 0.382 10 0 CCAERO CC(=O)NCCNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000047819374 411651279 /nfs/dbraw/zinc/65/12/79/411651279.db2.gz SFIZIBZFCUBWOB-AWEZNQCLSA-N 1 0 292.383 0.725 10 0 CCAERO CCOc1ccc(NC(=O)Cn2cc(C[NH3+])nn2)cc1 ZINC000050224257 411676242 /nfs/dbraw/zinc/67/62/42/411676242.db2.gz WWMJTQSGGBXCHI-UHFFFAOYSA-N 1 0 275.312 0.774 10 0 CCAERO CN(Cc1ccccc1)C(=O)Cn1cc(C[NH3+])nn1 ZINC000050224878 411677733 /nfs/dbraw/zinc/67/77/33/411677733.db2.gz GOAWPQZZDIPZLX-UHFFFAOYSA-N 1 0 259.313 0.395 10 0 CCAERO CC[C@@H](C)NC(=O)[C@@H](C)n1cc(C(C)(C)[NH3+])nn1 ZINC000070117859 411689943 /nfs/dbraw/zinc/68/99/43/411689943.db2.gz ZSUWSUSAJVTCNV-RKDXNWHRSA-N 1 0 253.350 0.948 10 0 CCAERO O=C([C@H]1CC12CC[NH2+]CC2)N1CC[C@@H](N2CCOCC2)C1 ZINC000070256638 411691201 /nfs/dbraw/zinc/69/12/01/411691201.db2.gz CWEIDJQIFKDZFY-ZIAGYGMSSA-N 1 0 293.411 0.309 10 0 CCAERO CN(CCN1CC[NH2+]CC1)C(=O)CC(F)(F)F ZINC000071149772 411693734 /nfs/dbraw/zinc/69/37/34/411693734.db2.gz KDHMIODOHGMCTL-UHFFFAOYSA-N 1 0 253.268 0.302 10 0 CCAERO CC(C)C[C@H](CNC(=O)[C@@H]1CNC(=O)C1)[NH+](C)C ZINC000110432957 411701427 /nfs/dbraw/zinc/70/14/27/411701427.db2.gz HPOJOPFHXPNGRU-WDEREUQCSA-N 1 0 255.362 0.215 10 0 CCAERO CC(=O)N[C@@H]1CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000133675476 411729990 /nfs/dbraw/zinc/72/99/90/411729990.db2.gz FGNORLRUFCFGPV-DGCLKSJQSA-N 1 0 253.346 0.256 10 0 CCAERO C[C@]1(C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)CCCC[NH2+]1 ZINC000133610800 411730180 /nfs/dbraw/zinc/73/01/80/411730180.db2.gz HVGHJUWNBPXWLF-LALPHHSUSA-N 1 0 279.384 0.646 10 0 CCAERO Nc1cc[nH+]cc1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000212210350 411734941 /nfs/dbraw/zinc/73/49/41/411734941.db2.gz LRWZCDMJHPVMPU-LLVKDONJSA-N 1 0 276.340 0.211 10 0 CCAERO CNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000300064205 411742694 /nfs/dbraw/zinc/74/26/94/411742694.db2.gz NAOVQTFBVWFVTO-TUAOUCFPSA-N 1 0 267.373 0.346 10 0 CCAERO C[C@H](NC(=O)C1(C)C[NH2+]C1)c1ccc(S(N)(=O)=O)cc1 ZINC000399322688 411776591 /nfs/dbraw/zinc/77/65/91/411776591.db2.gz VVBKRUDDAGNEMF-VIFPVBQESA-N 1 0 297.380 0.121 10 0 CCAERO CCO[C@@H]1CCCN(C(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000129710994 411720249 /nfs/dbraw/zinc/72/02/49/411720249.db2.gz NIIBEUBHBRGPHA-CYBMUJFWSA-N 1 0 283.416 0.698 10 0 CCAERO C[C@@H](C1CC1)N(C)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131224126 411723615 /nfs/dbraw/zinc/72/36/15/411723615.db2.gz UBJSIRXMXLQTFT-NSHDSACASA-N 1 0 253.390 0.927 10 0 CCAERO C[C@H]([NH3+])[C@H]1CN(c2ncnc3c2CCCC3)CCO1 ZINC000132997239 411727221 /nfs/dbraw/zinc/72/72/21/411727221.db2.gz QLQOXZRMZDJUAU-GXFFZTMASA-N 1 0 262.357 0.908 10 0 CCAERO Cc1cnn(CCN2CC[C@H]3OCC[NH2+][C@H]3C2)c1 ZINC000404288956 411795192 /nfs/dbraw/zinc/79/51/92/411795192.db2.gz ZHVDCNCFLANIPA-QWHCGFSZSA-N 1 0 250.346 0.254 10 0 CCAERO CCO[C@@H]1CN(c2ccccc2S(C)(=O)=O)C[C@H]1C[NH3+] ZINC000405652164 411803028 /nfs/dbraw/zinc/80/30/28/411803028.db2.gz GNWOFVVPQLTBAC-DGCLKSJQSA-N 1 0 298.408 0.890 10 0 CCAERO COC(=O)C(=O)N1CC[C@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000616570072 411840624 /nfs/dbraw/zinc/84/06/24/411840624.db2.gz LQTKMOJAGQMYER-VXGBXAGGSA-N 1 0 262.309 0.503 10 0 CCAERO CCn1ccnc(N(C)C[C@@H]2C[C@H](OC)C[N@@H+]2C)c1=O ZINC000284497994 196070830 /nfs/dbraw/zinc/07/08/30/196070830.db2.gz IAKWEZGWJYBNGE-RYUDHWBXSA-N 1 0 280.372 0.419 10 0 CCAERO CCOc1cccc(OC[C@@H](O)CN2CC[NH2+]CC2)c1 ZINC000019668767 170835109 /nfs/dbraw/zinc/83/51/09/170835109.db2.gz WPJSEMYDFQBDLJ-ZDUSSCGKSA-N 1 0 280.368 0.730 10 0 CCAERO CN(C)S(=O)(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000020224572 171087629 /nfs/dbraw/zinc/08/76/29/171087629.db2.gz NSWYCLFBMZWVSP-UHFFFAOYSA-N 1 0 259.331 0.242 10 0 CCAERO C[N@@H+]1CCCN(c2ncccc2C(N)=S)CC1 ZINC000020246578 171099788 /nfs/dbraw/zinc/09/97/88/171099788.db2.gz DCEJBBURYKKXRF-UHFFFAOYSA-N 1 0 250.371 0.858 10 0 CCAERO COc1ccc(N(C)S(=O)(=O)CC[NH3+])c(OC)c1 ZINC000020261654 171119244 /nfs/dbraw/zinc/11/92/44/171119244.db2.gz BZSVNIVIJYZSFW-UHFFFAOYSA-N 1 0 274.342 0.429 10 0 CCAERO NC(=O)[C@@H]1CCCN1Cc1ccc(C[NH3+])cc1F ZINC000020294513 171135163 /nfs/dbraw/zinc/13/51/63/171135163.db2.gz BXGXAILJKYOPFM-LBPRGKRZSA-N 1 0 251.305 0.734 10 0 CCAERO COc1cccc([C@@H]([NH3+])CN2C(=O)CN(C)C2=O)c1 ZINC000020296204 171135893 /nfs/dbraw/zinc/13/58/93/171135893.db2.gz KRBNAKBZNFIFGA-NSHDSACASA-N 1 0 263.297 0.589 10 0 CCAERO CNC(=O)NC(=O)[C@H](C)[NH2+]CCc1ccc(F)cc1 ZINC000020302910 171140495 /nfs/dbraw/zinc/14/04/95/171140495.db2.gz CINOSMHGMAPDFB-VIFPVBQESA-N 1 0 267.304 0.802 10 0 CCAERO COCCNC(=O)[C@H](C)[NH2+]Cc1ccc(OC)cc1 ZINC000020314517 171145434 /nfs/dbraw/zinc/14/54/34/171145434.db2.gz MDFSCIMVJGDOJA-NSHDSACASA-N 1 0 266.341 0.936 10 0 CCAERO COCCNC(=O)[C@@H](C)[NH2+]CCc1ccc(OC)cc1 ZINC000020315012 171145495 /nfs/dbraw/zinc/14/54/95/171145495.db2.gz IZAJOERWPKVLSJ-GFCCVEGCSA-N 1 0 280.368 0.978 10 0 CCAERO COc1ccc(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)cc1OC ZINC000020434078 171199369 /nfs/dbraw/zinc/19/93/69/171199369.db2.gz BNCJIJOCNTZLPO-UWVGGRQHSA-N 1 0 266.297 0.365 10 0 CCAERO C[C@@H]1CC[C@@H](C(=O)NCCCn2ccnc2)C[NH2+]1 ZINC000020506417 171228775 /nfs/dbraw/zinc/22/87/75/171228775.db2.gz AKIVQQFOUNZMMT-VXGBXAGGSA-N 1 0 250.346 0.778 10 0 CCAERO C[C@@H]1CN(S(=O)(=O)Cc2ccccc2C[NH3+])CCO1 ZINC000021019746 171290271 /nfs/dbraw/zinc/29/02/71/171290271.db2.gz LMXAQBYVAOHDOB-LLVKDONJSA-N 1 0 284.381 0.696 10 0 CCAERO C[NH+](C)CCCNS(=O)(=O)c1ccc(O)c(N)c1 ZINC000021800549 171325787 /nfs/dbraw/zinc/32/57/87/171325787.db2.gz YTASOBNZCLMUCO-UHFFFAOYSA-N 1 0 273.358 0.204 10 0 CCAERO COc1coc(CN2CCO[C@@H]3CC[N@H+](C)C[C@H]32)cc1=O ZINC000284774342 196128638 /nfs/dbraw/zinc/12/86/38/196128638.db2.gz HKWUEJSATKORBP-TZMCWYRMSA-N 1 0 294.351 0.553 10 0 CCAERO C[C@H](C(=O)Nc1ccccc1C[NH3+])N1CCN(C)CC1 ZINC000022156275 171362559 /nfs/dbraw/zinc/36/25/59/171362559.db2.gz BNKAWUBDZCPNBV-GFCCVEGCSA-N 1 0 276.384 0.720 10 0 CCAERO C[C@H]1CN(S(=O)(=O)c2ccc(C[NH3+])cc2)CCO1 ZINC000022220944 171377717 /nfs/dbraw/zinc/37/77/17/171377717.db2.gz LKPMVSSENGWFHA-JTQLQIEISA-N 1 0 270.354 0.555 10 0 CCAERO C[C@@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)C[C@H](C)O ZINC000653095012 412215101 /nfs/dbraw/zinc/21/51/01/412215101.db2.gz XVXAQNPPTKVDCP-UTINFBMNSA-N 1 0 282.306 0.908 10 0 CCAERO C[C@H](O)C[C@H](C)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653095010 412215315 /nfs/dbraw/zinc/21/53/15/412215315.db2.gz XVXAQNPPTKVDCP-AXTSPUMRSA-N 1 0 282.306 0.908 10 0 CCAERO O=C(NC[C@H]1CCCO1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653055840 412203900 /nfs/dbraw/zinc/20/39/00/412203900.db2.gz NMDBCSUGIOWGDT-IWSPIJDZSA-N 1 0 266.263 0.680 10 0 CCAERO CNC(=O)CCCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653073971 412209624 /nfs/dbraw/zinc/20/96/24/412209624.db2.gz UECDYAVNCAKOPP-HTQZYQBOSA-N 1 0 281.278 0.027 10 0 CCAERO Cn1cc(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)cn1 ZINC000653078963 412210232 /nfs/dbraw/zinc/21/02/32/412210232.db2.gz OTTIJVAPFLGGJC-RKDXNWHRSA-N 1 0 276.262 0.434 10 0 CCAERO NC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000653148200 412241652 /nfs/dbraw/zinc/24/16/52/412241652.db2.gz RJTGFVIFRIOPHE-IWSPIJDZSA-N 1 0 293.289 0.108 10 0 CCAERO Cc1cc(NC(=O)CN2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)no1 ZINC000284900934 196154002 /nfs/dbraw/zinc/15/40/02/196154002.db2.gz RXSPEHXSHIZPDX-RYUDHWBXSA-N 1 0 294.355 0.326 10 0 CCAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+]CC(=O)NC(C)C ZINC000035207173 172052201 /nfs/dbraw/zinc/05/22/01/172052201.db2.gz XOINTQZATCEVHX-SNVBAGLBSA-N 1 0 257.378 0.794 10 0 CCAERO Cc1cc(CO)oc1C(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000285070848 196190171 /nfs/dbraw/zinc/19/01/71/196190171.db2.gz RMGMAZDOYNMASY-STQMWFEESA-N 1 0 294.351 0.625 10 0 CCAERO C[NH2+]Cc1cccc(OC)c1OC[C@@H](C)C(N)=O ZINC000035413455 172185681 /nfs/dbraw/zinc/18/56/81/172185681.db2.gz FZWYYHMZKRMBQY-SECBINFHSA-N 1 0 252.314 0.915 10 0 CCAERO CNC(=O)[C@H](C)Oc1c(C[NH2+]C)cccc1OC ZINC000035413464 172185759 /nfs/dbraw/zinc/18/57/59/172185759.db2.gz VDXKHUVBACJJFQ-VIFPVBQESA-N 1 0 252.314 0.928 10 0 CCAERO CCc1cc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)[nH]n1 ZINC000285275442 196238838 /nfs/dbraw/zinc/23/88/38/196238838.db2.gz AWRMBDOKZLENRC-OLZOCXBDSA-N 1 0 278.356 0.517 10 0 CCAERO O=S1(=O)CCC([NH2+][C@@H]2CN3CCC2CC3)CC1 ZINC000035652202 172329126 /nfs/dbraw/zinc/32/91/26/172329126.db2.gz KBHKQYRLZHODKU-GFCCVEGCSA-N 1 0 258.387 0.247 10 0 CCAERO [NH3+]Cc1ccc(NC(=O)CCOCCCO)cc1 ZINC000035727567 172380621 /nfs/dbraw/zinc/38/06/21/172380621.db2.gz NZLDBWNDHJDLLU-UHFFFAOYSA-N 1 0 252.314 0.873 10 0 CCAERO C[C@@H](OCCCO)C(=O)Nc1ccccc1C[NH3+] ZINC000035727578 172380877 /nfs/dbraw/zinc/38/08/77/172380877.db2.gz RIIIURCVHCMGBI-SNVBAGLBSA-N 1 0 252.314 0.871 10 0 CCAERO O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCC[C@@H]1c1ccncc1 ZINC000036136643 172459628 /nfs/dbraw/zinc/45/96/28/172459628.db2.gz NIVLQZCUXJNJCT-YNEHKIRRSA-N 1 0 261.325 0.468 10 0 CCAERO C[NH+](C)C1CCN(C(=O)Cn2cc(N)cn2)CC1 ZINC000036190821 172502002 /nfs/dbraw/zinc/50/20/02/172502002.db2.gz ZPNIJQZOGYIPIX-UHFFFAOYSA-N 1 0 251.334 0.018 10 0 CCAERO CC(C)N(CCC[NH3+])S(=O)(=O)N1CCCCC1 ZINC000036731596 172663146 /nfs/dbraw/zinc/66/31/46/172663146.db2.gz VBNSRBISSUXYFW-UHFFFAOYSA-N 1 0 263.407 0.776 10 0 CCAERO CNC(=O)C[NH2+]Cc1cc2c(c(Cl)c1)OCO2 ZINC000037207304 173028537 /nfs/dbraw/zinc/02/85/37/173028537.db2.gz JKVKVXAUXUFVLL-UHFFFAOYSA-N 1 0 256.689 0.904 10 0 CCAERO NS(=O)(=O)CC[NH2+]Cc1ccccc1N1CCCC1 ZINC000037261822 173071359 /nfs/dbraw/zinc/07/13/59/173071359.db2.gz GSXCWQIGYHBZNN-UHFFFAOYSA-N 1 0 283.397 0.665 10 0 CCAERO C[C@@H]1CCC[C@@H](C(=O)NCCCN2CCOCC2)[NH2+]1 ZINC000037393636 173174544 /nfs/dbraw/zinc/17/45/44/173174544.db2.gz PDUPJWSKVPJGBL-OLZOCXBDSA-N 1 0 269.389 0.356 10 0 CCAERO CN(C(=O)c1ccc(C[NH3+])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000037507141 173242045 /nfs/dbraw/zinc/24/20/45/173242045.db2.gz XHWYGRCAMDKGEJ-LBPRGKRZSA-N 1 0 282.365 0.404 10 0 CCAERO NC(=O)CN(Cc1cccs1)C1CC[NH2+]CC1 ZINC000037542955 173263901 /nfs/dbraw/zinc/26/39/01/173263901.db2.gz OATRCZQFNHJPDI-UHFFFAOYSA-N 1 0 253.371 0.787 10 0 CCAERO C[C@H]([NH3+])CC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000037607829 173555771 /nfs/dbraw/zinc/55/57/71/173555771.db2.gz GTBZNZURKMLKFD-VIFPVBQESA-N 1 0 285.369 0.613 10 0 CCAERO CC[C@H](C)[NH2+]CC(=O)N[C@H](C)c1nnc2n1CCC2 ZINC000037617204 173565750 /nfs/dbraw/zinc/56/57/50/173565750.db2.gz YDQHSKYDSHOYQL-VHSXEESVSA-N 1 0 265.361 0.790 10 0 CCAERO CNC(=O)[C@H]1CCCCN1C(=O)C[NH2+]C1CCCC1 ZINC000037810878 173755560 /nfs/dbraw/zinc/75/55/60/173755560.db2.gz GNSMEGFJPOOCKJ-GFCCVEGCSA-N 1 0 267.373 0.646 10 0 CCAERO CC[C@H](C)[NH2+]CC(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000037815285 173763971 /nfs/dbraw/zinc/76/39/71/173763971.db2.gz AIZMHBAMQLMYFQ-JQWIXIFHSA-N 1 0 255.362 0.502 10 0 CCAERO CC[C@H](C)[NH2+]CC(=O)N1CCC[C@@H](CNC(N)=O)C1 ZINC000037820944 173773912 /nfs/dbraw/zinc/77/39/12/173773912.db2.gz PQLOXYUXEMQVHK-QWRGUYRKSA-N 1 0 270.377 0.281 10 0 CCAERO CCOC(=O)CN(C(=O)C[NH2+][C@@H](C)CC)C1CC1 ZINC000037825643 173781565 /nfs/dbraw/zinc/78/15/65/173781565.db2.gz UHMURWPTSVBSLP-JTQLQIEISA-N 1 0 256.346 0.929 10 0 CCAERO CCOC(=O)[C@@]1(N2CCC[NH2+]CC2)CCSC1 ZINC000037959521 173903335 /nfs/dbraw/zinc/90/33/35/173903335.db2.gz DZBRKSBKYJORCF-GFCCVEGCSA-N 1 0 258.387 0.721 10 0 CCAERO CN(CC(=O)N1CC[NH2+]CC1)[C@H]1COc2cc(O)ccc21 ZINC000038030944 174023060 /nfs/dbraw/zinc/02/30/60/174023060.db2.gz BUVXLLJHVGQHGO-ZDUSSCGKSA-N 1 0 291.351 0.189 10 0 CCAERO C[C@@H](c1ccco1)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000038030914 174024065 /nfs/dbraw/zinc/02/40/65/174024065.db2.gz MEKFGAHPWCVPML-NSHDSACASA-N 1 0 251.330 0.704 10 0 CCAERO COCCNC(=O)[C@@H](C)N(CC[NH3+])Cc1ccccc1 ZINC000038033161 174030802 /nfs/dbraw/zinc/03/08/02/174030802.db2.gz NCUBSGFJVFLAKQ-CYBMUJFWSA-N 1 0 279.384 0.598 10 0 CCAERO CS(=O)(=O)CCC[NH2+][C@H]1COc2cc(O)ccc21 ZINC000038047271 174057139 /nfs/dbraw/zinc/05/71/39/174057139.db2.gz XTXFTYQTHDXLJK-NSHDSACASA-N 1 0 271.338 0.850 10 0 CCAERO Cc1noc(C)c1S(=O)(=O)N[C@H]1CCCC[C@@H]1[NH3+] ZINC000038050381 174061501 /nfs/dbraw/zinc/06/15/01/174061501.db2.gz JCIZTJAOCDHDTD-UWVGGRQHSA-N 1 0 273.358 0.840 10 0 CCAERO Cc1[nH]c(=O)sc1S(=O)(=O)N[C@H]1CCCC[C@H]1[NH3+] ZINC000038050247 174061809 /nfs/dbraw/zinc/06/18/09/174061809.db2.gz MTSIKIIFPXTYBA-SFYZADRCSA-N 1 0 291.398 0.293 10 0 CCAERO COc1ccc([C@H]([NH3+])C(N)=O)cc1Br ZINC000038052248 174064239 /nfs/dbraw/zinc/06/42/39/174064239.db2.gz MFQAYRKIOZLZLI-QMMMGPOBSA-N 1 0 259.103 0.943 10 0 CCAERO CCOCCOC[C@H](O)C[NH2+]CCc1ccco1 ZINC000038059368 174069163 /nfs/dbraw/zinc/06/91/63/174069163.db2.gz OBXYCAWZSCJYKL-GFCCVEGCSA-N 1 0 257.330 0.826 10 0 CCAERO CC(C)(C)[NH2+]CCC(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000038083740 174093459 /nfs/dbraw/zinc/09/34/59/174093459.db2.gz RUJHJEQJBMNYRT-JTQLQIEISA-N 1 0 276.402 0.316 10 0 CCAERO COc1cc(CC[NH3+])ccc1O[C@@H]1CCS(=O)(=O)C1 ZINC000038085531 174095690 /nfs/dbraw/zinc/09/56/90/174095690.db2.gz DHICFDLUILRKLK-LLVKDONJSA-N 1 0 285.365 0.762 10 0 CCAERO C[C@@H](C[NH2+]C1CCN(CC(=O)N(C)C)CC1)N(C)C ZINC000038087547 174099587 /nfs/dbraw/zinc/09/95/87/174099587.db2.gz POWIZFCQZSHULQ-LBPRGKRZSA-N 1 0 270.421 0.079 10 0 CCAERO CCN1C(=O)C[C@H]([NH2+][C@H](C)Cc2ccco2)C1=O ZINC000038092324 174106218 /nfs/dbraw/zinc/10/62/18/174106218.db2.gz ZBAGBQOUSOQQJQ-KOLCDFICSA-N 1 0 250.298 0.948 10 0 CCAERO CCCN(CC(=O)N(C)C)C(=O)[C@H]1CCCC[NH2+]1 ZINC000038101090 174116519 /nfs/dbraw/zinc/11/65/19/174116519.db2.gz GWUVOBUTROROLV-LLVKDONJSA-N 1 0 255.362 0.455 10 0 CCAERO COC(=O)C[C@@H]1CCCCN1C(=O)C[NH2+]CC1CC1 ZINC000038101972 174118522 /nfs/dbraw/zinc/11/85/22/174118522.db2.gz VCAQHYKFYNQJJW-LBPRGKRZSA-N 1 0 268.357 0.930 10 0 CCAERO CS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000040458768 174269275 /nfs/dbraw/zinc/26/92/75/174269275.db2.gz APICAZWKWVLMNY-NSHDSACASA-N 1 0 268.338 0.781 10 0 CCAERO Cn1cc(Br)c(C(=O)N2CCC[C@H]2C[NH3+])n1 ZINC000662424535 414717081 /nfs/dbraw/zinc/71/70/81/414717081.db2.gz UEYWPZXFUMKUJS-ZETCQYMHSA-N 1 0 287.161 0.746 10 0 CCAERO CC(C)N(CC[NH3+])S(=O)(=O)N1CCCCCC1 ZINC000041160463 174502434 /nfs/dbraw/zinc/50/24/34/174502434.db2.gz RPJQEJHKBPGVEV-UHFFFAOYSA-N 1 0 263.407 0.776 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000662711445 414745090 /nfs/dbraw/zinc/74/50/90/414745090.db2.gz NEEXFJOZNVMNCW-LOWDOPEQSA-N 1 0 252.358 0.869 10 0 CCAERO COC[C@@]1(C(=O)N2CCC[C@@H](OC)CC2)CCC[NH2+]1 ZINC000662835330 414826747 /nfs/dbraw/zinc/82/67/47/414826747.db2.gz MHWUBVYMXGXXIE-TZMCWYRMSA-N 1 0 270.373 0.783 10 0 CCAERO CO[C@H]1CCCN(C(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000662836210 414830839 /nfs/dbraw/zinc/83/08/39/414830839.db2.gz WVMCCMGVXZRISC-RYUDHWBXSA-N 1 0 256.346 0.250 10 0 CCAERO C[C@]1(CNC(=O)C2(C[NH3+])CCOCC2)CC1(F)F ZINC000662874434 414860097 /nfs/dbraw/zinc/86/00/97/414860097.db2.gz IMRAVRRNIRQURT-SNVBAGLBSA-N 1 0 262.300 0.903 10 0 CCAERO CN(C(=O)CCn1ccccc1=O)[C@@H](C[NH3+])C(F)(F)F ZINC000662980134 414932116 /nfs/dbraw/zinc/93/21/16/414932116.db2.gz OBSGZCHQOPXLMM-VIFPVBQESA-N 1 0 291.273 0.586 10 0 CCAERO CN(C(=O)Cc1cc[nH]n1)[C@@H](C[NH3+])C(F)(F)F ZINC000662982902 414933278 /nfs/dbraw/zinc/93/32/78/414933278.db2.gz GKAARSFKFRGVCG-ZETCQYMHSA-N 1 0 250.224 0.300 10 0 CCAERO Cc1nn(C)c(C)c1CC(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662981953 414933902 /nfs/dbraw/zinc/93/39/02/414933902.db2.gz SOKRDVOOCPZQDM-JTQLQIEISA-N 1 0 292.305 0.927 10 0 CCAERO CN1C[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1=O ZINC000662886661 414869331 /nfs/dbraw/zinc/86/93/31/414869331.db2.gz JHMUOFOKCMJYDJ-RVMXOQNASA-N 1 0 279.384 0.502 10 0 CCAERO CCCNC(=O)CN(C)[C@@H](CC[NH3+])C(F)(F)F ZINC000042517581 174768391 /nfs/dbraw/zinc/76/83/91/174768391.db2.gz QJKCZTCSMXEOJP-QMMMGPOBSA-N 1 0 255.284 0.724 10 0 CCAERO CN(CCC[NH3+])S(=O)(=O)NCc1ccc(F)cc1 ZINC000042524885 174774921 /nfs/dbraw/zinc/77/49/21/174774921.db2.gz CSCVLFLAYIKSGB-UHFFFAOYSA-N 1 0 275.349 0.441 10 0 CCAERO CCC[C@@H]([NH3+])C(=O)N1CCO[C@](C)(C(F)F)C1 ZINC000663007217 414947174 /nfs/dbraw/zinc/94/71/74/414947174.db2.gz FHGMPVACKVUHJD-KCJUWKMLSA-N 1 0 250.289 0.996 10 0 CCAERO CC(C)CN(C(C)C)S(=O)(=O)N(C)CCC[NH3+] ZINC000042589149 174810585 /nfs/dbraw/zinc/81/05/85/174810585.db2.gz WQQFHECDGQATPV-UHFFFAOYSA-N 1 0 265.423 0.878 10 0 CCAERO CCNC(=O)c1cccc(NC(=O)[C@@H]2CC[NH2+]C2)c1 ZINC000062113375 175662927 /nfs/dbraw/zinc/66/29/27/175662927.db2.gz XUBLPPKVEWZINS-LLVKDONJSA-N 1 0 261.325 0.984 10 0 CCAERO [NH3+][C@H]1CCC[C@H](C(=O)NCCC(=O)N2CCCC2)C1 ZINC000070577401 175993022 /nfs/dbraw/zinc/99/30/22/175993022.db2.gz LGMTUINOVRWECJ-RYUDHWBXSA-N 1 0 267.373 0.633 10 0 CCAERO [NH3+]CCN(C1CCCC1)S(=O)(=O)N1CCCCC1 ZINC000070975269 176017819 /nfs/dbraw/zinc/01/78/19/176017819.db2.gz JFEDOGSPLUUINM-UHFFFAOYSA-N 1 0 275.418 0.920 10 0 CCAERO CCN([C@@](C)(CC)C[NH3+])S(=O)(=O)CCCOC ZINC000071233578 176092799 /nfs/dbraw/zinc/09/27/99/176092799.db2.gz KDJKRDZAJXKQAY-NSHDSACASA-N 1 0 266.407 0.802 10 0 CCAERO CN(CC(=O)Nc1nnc(C2CC2)o1)[C@@H]1CC[NH2+]C1 ZINC000071310996 176117930 /nfs/dbraw/zinc/11/79/30/176117930.db2.gz QXGWQBIQYOTPOD-SECBINFHSA-N 1 0 265.317 0.179 10 0 CCAERO C[C@H]([NH3+])CS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000071582255 176207392 /nfs/dbraw/zinc/20/73/92/176207392.db2.gz GARKNKDMWXGEFT-QMMMGPOBSA-N 1 0 257.311 0.579 10 0 CCAERO COc1cc(S(=O)(=O)NCC[NH3+])c(OC)cc1C ZINC000071615089 176234189 /nfs/dbraw/zinc/23/41/89/176234189.db2.gz CJUWQFBRIXKBMA-UHFFFAOYSA-N 1 0 274.342 0.249 10 0 CCAERO O=C(C1CCC1)N1C[C@@H](O)[C@H]([NH2+]Cc2cccnc2)C1 ZINC000072169183 176332235 /nfs/dbraw/zinc/33/22/35/176332235.db2.gz ALRXQPITXIFTPL-ZIAGYGMSSA-N 1 0 275.352 0.543 10 0 CCAERO COc1ccc(OC)c(Cn2nnnc2CC[NH3+])c1 ZINC000076361306 177002087 /nfs/dbraw/zinc/00/20/87/177002087.db2.gz PUUOYBZOUKVVQO-UHFFFAOYSA-N 1 0 263.301 0.240 10 0 CCAERO [NH3+]C[C@H](CC(=O)NC[C@@H]1CCCO1)c1ccncc1 ZINC000076678220 177057162 /nfs/dbraw/zinc/05/71/62/177057162.db2.gz MLZIDXUKKQHABQ-STQMWFEESA-N 1 0 263.341 0.809 10 0 CCAERO CC[C@H](C)N(CC[NH3+])S(=O)(=O)c1c(C)n[nH]c1C ZINC000076720908 177069915 /nfs/dbraw/zinc/06/99/15/177069915.db2.gz HLFGIVRABCLGLN-QMMMGPOBSA-N 1 0 274.390 0.774 10 0 CCAERO [NH3+]CCC(=O)OCCc1ccc2[nH]c(=O)oc2c1 ZINC000077430563 177266489 /nfs/dbraw/zinc/26/64/89/177266489.db2.gz SWMFUZIWPSMDEM-UHFFFAOYSA-N 1 0 250.254 0.556 10 0 CCAERO CCCS(=O)(=O)N1CCOC2(CCC([NH3+])CC2)C1 ZINC000725244160 545873371 /nfs/dbraw/zinc/87/33/71/545873371.db2.gz PDINJJFOUANPMO-UHFFFAOYSA-N 1 0 276.402 0.699 10 0 CCAERO C[C@@H]([NH3+])c1cncc(-n2cc(S(C)(=O)=O)cn2)c1 ZINC000725250493 545875515 /nfs/dbraw/zinc/87/55/15/545875515.db2.gz GZWWGGDGZMJHGT-MRVPVSSYSA-N 1 0 266.326 0.691 10 0 CCAERO CS(=O)(=O)c1cnn([C@@H](C[NH3+])c2cccs2)c1 ZINC000725253185 545878011 /nfs/dbraw/zinc/87/80/11/545878011.db2.gz RDNRRCHKVCWLKG-VIFPVBQESA-N 1 0 271.367 0.896 10 0 CCAERO CC(C)[NH2+]C[C@@H](O)CCn1cc(S(C)(=O)=O)cn1 ZINC000725252217 545877104 /nfs/dbraw/zinc/87/71/04/545877104.db2.gz KQYDNGTXKNDDHS-JTQLQIEISA-N 1 0 275.374 0.036 10 0 CCAERO COC[C@H](C)n1nnc(C[NH3+])c1-c1ccnn1C ZINC000725257411 545880211 /nfs/dbraw/zinc/88/02/11/545880211.db2.gz OHHPZAYDQNARSE-QMMMGPOBSA-N 1 0 250.306 0.345 10 0 CCAERO CC[NH2+][C@@H]1CC[C@H](n2cc(S(C)(=O)=O)cn2)C1 ZINC000725252633 545878930 /nfs/dbraw/zinc/87/89/30/545878930.db2.gz OMHDJJDCDTVHSC-ZJUUUORDSA-N 1 0 257.359 0.990 10 0 CCAERO CC(C)N1CC[C@@H]([NH3+])C12C[C@H]1CC[C@@H](C2)S1(=O)=O ZINC000725266009 545886942 /nfs/dbraw/zinc/88/69/42/545886942.db2.gz KRENBKLKFVECAS-DAAZQVBGSA-N 1 0 272.414 0.906 10 0 CCAERO CCn1ncnc1-c1cnnn1[C@H]1CCC[NH2+]CC1 ZINC000725266018 545886877 /nfs/dbraw/zinc/88/68/77/545886877.db2.gz GFXKQFLVAREJKF-JTQLQIEISA-N 1 0 261.333 0.871 10 0 CCAERO C[C@H]([NH2+]C[C@H](O)COC[C@@H]1CCCO1)[C@H]1CCCO1 ZINC000037889697 544424314 /nfs/dbraw/zinc/42/43/14/544424314.db2.gz HZEHSCZYJHDXSK-XDQVBPFNSA-N 1 0 273.373 0.700 10 0 CCAERO Cc1nnsc1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040740473 544424983 /nfs/dbraw/zinc/42/49/83/544424983.db2.gz RSTHZYUKLNSPRA-JVHMLUBASA-N 1 0 252.343 0.859 10 0 CCAERO Cc1cc(N2CCC[C@H](C)[C@@H]2C[NH3+])n2ncnc2n1 ZINC000070178415 544451090 /nfs/dbraw/zinc/45/10/90/544451090.db2.gz RAGHSDKWFLSMJL-ONGXEEELSA-N 1 0 260.345 0.996 10 0 CCAERO COC1(CNC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CCCCC1 ZINC000333845075 228216491 /nfs/dbraw/zinc/21/64/91/228216491.db2.gz VYNCRWKQCZPDPN-RYUDHWBXSA-N 1 0 285.388 0.310 10 0 CCAERO Cc1cc(CS(=O)(=O)N[C@H]2CCC[C@H]2C[NH3+])no1 ZINC000089091746 544511295 /nfs/dbraw/zinc/51/12/95/544511295.db2.gz NBLZBRDQEXYVSB-ONGXEEELSA-N 1 0 273.358 0.530 10 0 CCAERO CC(=O)N1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089454415 544512879 /nfs/dbraw/zinc/51/28/79/544512879.db2.gz ZFDAKEUVQGDDBR-NWDGAFQWSA-N 1 0 253.346 0.052 10 0 CCAERO CCOc1cc(N2CCO[C@H](C[NH3+])C2)nc(C)n1 ZINC000090787761 544524222 /nfs/dbraw/zinc/52/42/22/544524222.db2.gz JTMDXDVCZJIRFR-SNVBAGLBSA-N 1 0 252.318 0.348 10 0 CCAERO O=C(N[C@@H]1CCC[C@H](O)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111244135 544561423 /nfs/dbraw/zinc/56/14/23/544561423.db2.gz HVGXFBVJPPCNOZ-YWVKMMECSA-N 1 0 280.290 0.948 10 0 CCAERO CC[NH+]1CCC(NC(=O)N[C@H]2CCc3ncnn3C2)CC1 ZINC000112740575 544563928 /nfs/dbraw/zinc/56/39/28/544563928.db2.gz RHXJIMVKNSXCON-LBPRGKRZSA-N 1 0 292.387 0.376 10 0 CCAERO COCCOCc1cccc(NC(=O)[C@H]([NH3+])COC)c1 ZINC000159265311 544692981 /nfs/dbraw/zinc/69/29/81/544692981.db2.gz GSVWPAMUSJAYQM-CYBMUJFWSA-N 1 0 282.340 0.762 10 0 CCAERO CCn1cnnc1CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000227696521 544835659 /nfs/dbraw/zinc/83/56/59/544835659.db2.gz OPLZJGRCKBIKSK-LBPRGKRZSA-N 1 0 251.334 0.446 10 0 CCAERO CCC1(CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)CCCC1 ZINC000227806348 544837907 /nfs/dbraw/zinc/83/79/07/544837907.db2.gz JYGPEBHGPNCQQP-LLVKDONJSA-N 1 0 290.429 0.835 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)NCCC(=O)NC(C)(C)C ZINC000228384846 544843077 /nfs/dbraw/zinc/84/30/77/544843077.db2.gz RJFPDNMKMYSIGW-JTQLQIEISA-N 1 0 257.378 0.781 10 0 CCAERO Cc1cnc([C@H](C)NC(=O)CN2CC[NH2+]CC2)o1 ZINC000231742708 544860512 /nfs/dbraw/zinc/86/05/12/544860512.db2.gz YLSRXAUJWNBGDY-JTQLQIEISA-N 1 0 252.318 0.065 10 0 CCAERO COCC1(C(=O)N[C@@H]2CCC[C@@H](O)C2)CC[NH2+]CC1 ZINC000234672435 544869635 /nfs/dbraw/zinc/86/96/35/544869635.db2.gz CGSMOHZBUNZBPY-VXGBXAGGSA-N 1 0 270.373 0.422 10 0 CCAERO C[C@@]1(C(N)=O)CCN(C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000235410799 544876016 /nfs/dbraw/zinc/87/60/16/544876016.db2.gz KNHSOEJKKLZCJH-ZWNOBZJWSA-N 1 0 253.346 0.100 10 0 CCAERO O[C@@H]1CCCC[C@H]1[N@@H+]1CCO[C@H](Cn2cccn2)C1 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ZINC000050940925 526967122 /nfs/dbraw/zinc/96/71/22/526967122.db2.gz HZYRHJUKEGJVPY-MNOVXSKESA-N 1 0 253.346 0.385 10 0 CCAERO [NH3+]CCN1CCN(S(=O)(=O)CC2CCCCC2)CC1 ZINC000049042990 527186460 /nfs/dbraw/zinc/18/64/60/527186460.db2.gz FKVKMETVVYNGBE-UHFFFAOYSA-N 1 0 289.445 0.473 10 0 CCAERO [NH3+]Cc1ccc(S(=O)(=O)NC[C@H]2CCOC2)cc1 ZINC000061146880 527258047 /nfs/dbraw/zinc/25/80/47/527258047.db2.gz CVTFUSKPDRKLAQ-LLVKDONJSA-N 1 0 270.354 0.460 10 0 CCAERO O=S1(=O)CC[C@@H]([NH2+][C@H]2CCN3CCCC[C@@H]23)C1 ZINC000049564698 527310684 /nfs/dbraw/zinc/31/06/84/527310684.db2.gz HHXXIHFODUJPIR-WOPDTQHZSA-N 1 0 258.387 0.390 10 0 CCAERO CCNc1nc(C(=O)N[C@H]2CC[N@H+](CC)C2)cs1 ZINC000412848975 528001975 /nfs/dbraw/zinc/00/19/75/528001975.db2.gz SSKJTYXVLHZYGT-VIFPVBQESA-N 1 0 268.386 0.821 10 0 CCAERO CCCCc1noc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC000420404725 529056628 /nfs/dbraw/zinc/05/66/28/529056628.db2.gz NPRHIGHAKRIXCT-WDEREUQCSA-N 1 0 266.345 0.585 10 0 CCAERO CC(C)Oc1ccccc1CC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262376853 535059028 /nfs/dbraw/zinc/05/90/28/535059028.db2.gz WQSOSUJCOJWCMY-KBPBESRZSA-N 1 0 292.379 0.713 10 0 CCAERO CC(C)S(=O)(=O)CCN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261663564 535094635 /nfs/dbraw/zinc/09/46/35/535094635.db2.gz GZMIQZFZKKBUKV-CQSZACIVSA-N 1 0 297.424 0.851 10 0 CCAERO CC(C)[C@@H](C)NC(=O)N1CCN(C2C[NH2+]C2)CC1 ZINC000675054729 545320379 /nfs/dbraw/zinc/32/03/79/545320379.db2.gz YJVHBMVPIXOCGP-LLVKDONJSA-N 1 0 254.378 0.330 10 0 CCAERO CCCCS(=O)(=O)N1CC(OC2CC[NH2+]CC2)C1 ZINC000675054680 545320399 /nfs/dbraw/zinc/32/03/99/545320399.db2.gz JBEQVDGBWVJNHT-UHFFFAOYSA-N 1 0 276.402 0.569 10 0 CCAERO CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)O[C@H]2C[NH3+])C1 ZINC000675054018 545320490 /nfs/dbraw/zinc/32/04/90/545320490.db2.gz SFGJWGAOBZSQFK-ZANVPECISA-N 1 0 270.329 0.888 10 0 CCAERO CCCS(=O)(=O)NC[C@]1(CC)C[NH2+]CCO1 ZINC000675059678 545320848 /nfs/dbraw/zinc/32/08/48/545320848.db2.gz UEKQEIFFAGABHV-JTQLQIEISA-N 1 0 250.364 0.084 10 0 CCAERO Cn1nnnc1C1=C[C@@H]([NH3+])CN(C(=O)OC(C)(C)C)C1 ZINC000675077199 545321272 /nfs/dbraw/zinc/32/12/72/545321272.db2.gz ALQFHYNLNVLUDR-SECBINFHSA-N 1 0 280.332 0.172 10 0 CCAERO CCOc1cccc(CNC[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000263309643 535459027 /nfs/dbraw/zinc/45/90/27/535459027.db2.gz YJOHGHMHGSFRNJ-TZMCWYRMSA-N 1 0 250.342 0.755 10 0 CCAERO CCc1sc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1C ZINC000262286607 535948917 /nfs/dbraw/zinc/94/89/17/535948917.db2.gz OHSQCQZEPRQKIX-ZJUUUORDSA-N 1 0 268.382 0.929 10 0 CCAERO CCn1cc(-c2nc([C@H]3C[NH2+]CCN3C)no2)cn1 ZINC000263210854 536013429 /nfs/dbraw/zinc/01/34/29/536013429.db2.gz KGLUXEZUPOKBAS-SNVBAGLBSA-N 1 0 262.317 0.529 10 0 CCAERO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253103888 536325762 /nfs/dbraw/zinc/32/57/62/536325762.db2.gz YZHMDEXQUJISHQ-WUHRBBMRSA-N 1 0 297.399 0.846 10 0 CCAERO C[NH2+][C@@H](C(=O)N1CCC([C@H](C)O)CC1)c1cnn(C)c1 ZINC000262541561 536334818 /nfs/dbraw/zinc/33/48/18/536334818.db2.gz NHHAMTPXSHWBFL-GXFFZTMASA-N 1 0 280.372 0.300 10 0 CCAERO C[N@H+](CCOCCO)[C@H]1CCCN(c2cccnn2)C1 ZINC000132946923 536396590 /nfs/dbraw/zinc/39/65/90/536396590.db2.gz YWUCWJOVXZDKPY-ZDUSSCGKSA-N 1 0 280.372 0.386 10 0 CCAERO COC(=O)c1ccc(C[N@@H+]2C[C@H](OC)C[C@H]2CO)nc1 ZINC000312725593 536683283 /nfs/dbraw/zinc/68/32/83/536683283.db2.gz RPJKIPBBKPKUKJ-QWHCGFSZSA-N 1 0 280.324 0.450 10 0 CCAERO C[C@@H]1C[NH2+]C[C@]12CN(CC(F)(F)F)CC[C@H]2O ZINC000725246425 567908326 /nfs/dbraw/zinc/90/83/26/567908326.db2.gz VOBPYCRCZUZVOQ-BBBLOLIVSA-N 1 0 252.280 0.841 10 0 CCAERO [NH3+][C@H](CCCC[NH2+]CC(=O)c1ccco1)C(=O)[O-] ZINC000095617933 571796604 /nfs/dbraw/zinc/79/66/04/571796604.db2.gz YQHPCDPFXQXCMV-SECBINFHSA-N 1 0 254.286 0.634 10 0 endogenous,in-man CCAERO C[C@@H]1CC[C@H](C(=O)N[C@@H](CC[NH3+])C(F)(F)F)O1 ZINC000307765775 581146586 /nfs/dbraw/zinc/14/65/86/581146586.db2.gz CASHHUIJAZNRJC-PRJMDXOYSA-N 1 0 254.252 0.950 10 0 CCAERO O=C(C[C@@H]1CSCC[NH2+]1)N[C@H]1CCC[C@H](O)C1 ZINC000091134613 581570737 /nfs/dbraw/zinc/57/07/37/581570737.db2.gz JDEZMXXLHPEIAB-AXFHLTTASA-N 1 0 258.387 0.501 10 0 CCAERO CN1CCOC[C@@]12C[NH2+][C@@]1(CCCSC1)OC2 ZINC000757147629 581680468 /nfs/dbraw/zinc/68/04/68/581680468.db2.gz SKZKPDKNWLSCBQ-NEPJUHHUSA-N 1 0 258.387 0.530 10 0 CCAERO CCOC(=O)CCc1nc(C2(N)CC[NH+](C)CC2)no1 ZINC000757182674 581684396 /nfs/dbraw/zinc/68/43/96/581684396.db2.gz KGUROYBEQUKPHX-UHFFFAOYSA-N 1 0 282.344 0.445 10 0 CCAERO COC(=O)[C@H]1C[NH2+]CC12CCC1(CC2)OCCO1 ZINC000757184577 581685140 /nfs/dbraw/zinc/68/51/40/581685140.db2.gz MEACSYKXJYAWJC-SNVBAGLBSA-N 1 0 255.314 0.682 10 0 CCAERO [NH3+][C@@H](CS(=O)(=O)N1CCCCC1)c1ccncc1 ZINC000757151642 581696916 /nfs/dbraw/zinc/69/69/16/581696916.db2.gz ITINTTLCHIPCHR-LBPRGKRZSA-N 1 0 269.370 0.897 10 0 CCAERO CO[C@H]1C[C@@H](C[NH3+])N(c2cc(N(C)C)ncn2)C1 ZINC000756998977 581939360 /nfs/dbraw/zinc/93/93/60/581939360.db2.gz FSOCJQCMDXPYJJ-UWVGGRQHSA-N 1 0 251.334 0.095 10 0 CCAERO CC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000218913086 614126528 /nfs/dbraw/zinc/12/65/28/614126528.db2.gz XBDGFMFTMGFFBM-UPJWGTAASA-N 1 0 267.373 0.631 10 0 CCAERO CCN1CCO[C@@H](C[NH2+]C[C@@H](O)COC(C)C)C1 ZINC000223329712 615175814 /nfs/dbraw/zinc/17/58/14/615175814.db2.gz QNUHHIJGAFXRJP-OLZOCXBDSA-N 1 0 260.378 0.083 10 0 CCAERO CC[C@H](O)C[NH+]1CCN([C@H](C)c2ncccn2)CC1 ZINC000929728721 615828937 /nfs/dbraw/zinc/82/89/37/615828937.db2.gz ZFYOVYFVNBKEFF-OLZOCXBDSA-N 1 0 264.373 0.926 10 0 CCAERO C[NH+](C)[C@H]1CCN(C(=O)c2nnc3ccccc3c2O)C1 ZINC000111606421 615994120 /nfs/dbraw/zinc/99/41/20/615994120.db2.gz KOHPKCINUCOEQT-JTQLQIEISA-N 1 0 286.335 0.699 10 0 CCAERO CC[S@](=O)CC[NH2+]C[C@@H](O)COCc1ccco1 ZINC000132822350 616016926 /nfs/dbraw/zinc/01/69/26/616016926.db2.gz JJDRORKLLSFSCS-ADLMAVQZSA-N 1 0 275.370 0.515 10 0 CCAERO CN1CCN(C(=O)C[NH2+]CCc2ccccc2)CC1 ZINC000020050792 616223469 /nfs/dbraw/zinc/22/34/69/616223469.db2.gz LZGRZDHMZRKDPR-UHFFFAOYSA-N 1 0 261.369 0.593 10 0 CCAERO COC(=O)/C=C(\C)C[N@@H+]1CCC[C@H]1Cn1cncn1 ZINC000929575662 616313268 /nfs/dbraw/zinc/31/32/68/616313268.db2.gz SMDNGLUYPXIZGI-BCMYLCSRSA-N 1 0 264.329 0.862 10 0 CCAERO C[N@@H+]1CC[C@@](N)(c2nc(CC3CCOCC3)no2)C1 ZINC000888078095 616348274 /nfs/dbraw/zinc/34/82/74/616348274.db2.gz OFQPBUQLWVHHAW-ZDUSSCGKSA-N 1 0 266.345 0.528 10 0 CCAERO COCCOC[C@@H](O)C[N@@H+]1CCC[C@H](C(C)=O)C1 ZINC000300256924 616559564 /nfs/dbraw/zinc/55/95/64/616559564.db2.gz FBOHCGLUHDYULV-STQMWFEESA-N 1 0 259.346 0.311 10 0 CCAERO C[C@H]1CN(c2nc(N)nc(C(F)(F)F)n2)C[C@H]1[NH+](C)C ZINC000312462272 625436918 /nfs/dbraw/zinc/43/69/18/625436918.db2.gz AUPLTKNCWYTALE-NKWVEPMBSA-N 1 0 290.293 0.859 10 0 CCAERO C[C@H]([NH2+]CC1CN(S(C)(=O)=O)C1)c1cccc(O)c1 ZINC000194965158 625604719 /nfs/dbraw/zinc/60/47/19/625604719.db2.gz MRKJKQDNOCAOCY-JTQLQIEISA-N 1 0 284.381 0.934 10 0 CCAERO COCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000052792413 623060969 /nfs/dbraw/zinc/06/09/69/623060969.db2.gz ULWSHBYWILXXSE-CMPLNLGQSA-N 1 0 294.351 0.999 10 0 CCAERO CC(=O)Nc1ncc(CN2CCC[NH2+]CC2)s1 ZINC000409426587 624830821 /nfs/dbraw/zinc/83/08/21/624830821.db2.gz RGPSFXATTALYDS-UHFFFAOYSA-N 1 0 254.359 0.897 10 0 CCAERO CC1(C)COC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000313068622 625737293 /nfs/dbraw/zinc/73/72/93/625737293.db2.gz WVBNJOHGSKAPIW-CHWSQXEVSA-N 1 0 256.390 0.848 10 0 CCAERO C[C@@H](c1nc([C@@H]2CN3CCN2CC3)no1)[C@H](C)[NH3+] ZINC000227598532 631353904 /nfs/dbraw/zinc/35/39/04/631353904.db2.gz AQCZAMLEHNQVQL-UTLUCORTSA-N 1 0 251.334 0.193 10 0 CCAERO O=C(NCC[NH+]1CCCC1)c1cnc2nsnc2c1 ZINC000222610458 631572537 /nfs/dbraw/zinc/57/25/37/631572537.db2.gz WCYAWTPNXFUFEH-UHFFFAOYSA-N 1 0 277.353 0.912 10 0 CCAERO Cc1cc2c(NCCN3CCC([NH3+])CC3)nccn2n1 ZINC000322077307 633136652 /nfs/dbraw/zinc/13/66/52/633136652.db2.gz FYDOQKSBOUMVKJ-UHFFFAOYSA-N 1 0 274.372 0.873 10 0 CCAERO O=C([C@H]1CCc2n[nH]nc2C1)N1CC([NH+]2CCCC2)C1 ZINC000898604630 633627210 /nfs/dbraw/zinc/62/72/10/633627210.db2.gz MCAZBAOXTZBLGC-JTQLQIEISA-N 1 0 275.356 0.216 10 0 CCAERO O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CCC[C@@H]1CCCO ZINC000901223383 634216355 /nfs/dbraw/zinc/21/63/55/634216355.db2.gz BSVANGBJJYOQQC-KGLIPLIRSA-N 1 0 282.384 0.471 10 0 CCAERO C[C@@H]([NH2+][C@@H]1CS(=O)(=O)C[C@H]1O)C1CCCCC1 ZINC000149461845 635204420 /nfs/dbraw/zinc/20/44/20/635204420.db2.gz IQPXVAOCNXISFA-YUSALJHKSA-N 1 0 261.387 0.703 10 0 CCAERO CCCOc1ccnc(NC[C@H]2C[NH2+]CCO2)n1 ZINC000164845995 636885415 /nfs/dbraw/zinc/88/54/15/636885415.db2.gz NLQUOWSYTPGWKF-SNVBAGLBSA-N 1 0 252.318 0.666 10 0 CCAERO CCN1CCO[C@H](CNC(=O)CC[NH2+]C(C)(C)C)C1 ZINC000166031719 636916169 /nfs/dbraw/zinc/91/61/69/636916169.db2.gz MGHIPRZJIXJAQY-GFCCVEGCSA-N 1 0 271.405 0.602 10 0 CCAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(NC(=O)OC)cc1 ZINC000167813209 636977728 /nfs/dbraw/zinc/97/77/28/636977728.db2.gz CRPXWRAJJCOHMR-SNVBAGLBSA-N 1 0 267.285 0.777 10 0 CCAERO CC(C)C[C@H](C[NH3+])c1nc(N2CCOCC2)no1 ZINC000228184928 637051134 /nfs/dbraw/zinc/05/11/34/637051134.db2.gz BIGKPNQBXYSVPK-SNVBAGLBSA-N 1 0 254.334 0.995 10 0 CCAERO CCCCNC(=O)NC(=O)C[N@H+]1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000228698374 637069128 /nfs/dbraw/zinc/06/91/28/637069128.db2.gz PCAWUTICHRRPCE-MNOVXSKESA-N 1 0 299.371 0.353 10 0 CCAERO Cc1nsc(N2CCC[C@H](C(=O)NCC[NH3+])C2)n1 ZINC000087632640 637113325 /nfs/dbraw/zinc/11/33/25/637113325.db2.gz NZRRUGMADZYTCT-VIFPVBQESA-N 1 0 269.374 0.138 10 0 CCAERO COCC(=O)Nc1ccc(NC(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000062113777 637151698 /nfs/dbraw/zinc/15/16/98/637151698.db2.gz PMPFYFDVEDGTIK-SNVBAGLBSA-N 1 0 277.324 0.820 10 0 CCAERO [NH3+]Cc1cccc(C(=O)N2CC[C@H](N3CCOCC3)C2)c1 ZINC000062975633 637190438 /nfs/dbraw/zinc/19/04/38/637190438.db2.gz NGWOULKINLDITK-HNNXBMFYSA-N 1 0 289.379 0.692 10 0 CCAERO C(C[C@H]1CCC[NH2+]1)c1nc([C@H]2CN3CCN2CC3)no1 ZINC000312457939 637370167 /nfs/dbraw/zinc/37/01/67/637370167.db2.gz ACSZEJYPBSAAAI-VXGBXAGGSA-N 1 0 277.372 0.427 10 0 CCAERO COCCN(Cc1ccsc1)C(=O)[C@@H]1C[C@H]([NH3+])CN1C ZINC000067851602 638212147 /nfs/dbraw/zinc/21/21/47/638212147.db2.gz NUSUXAMBLLGKID-STQMWFEESA-N 1 0 297.424 0.755 10 0 CCAERO O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CN1CC[NH+](C2CC2)CC1 ZINC000129112615 647326754 /nfs/dbraw/zinc/32/67/54/647326754.db2.gz ORNMTDBKUHRTBD-KBPBESRZSA-N 1 0 289.379 0.675 10 0 CCAERO [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N1CCO[C@@H](CO)C1 ZINC000221102406 648037826 /nfs/dbraw/zinc/03/78/26/648037826.db2.gz CPEXKTLJDKWTHT-GRYCIOLGSA-N 1 0 256.346 0.114 10 0 CCAERO [NH3+]C[C@@H]1CC(C(=O)NC[C@H](O)c2ccc(F)cc2)=NO1 ZINC000827315425 648305642 /nfs/dbraw/zinc/30/56/42/648305642.db2.gz QMGXIUAAOBDGDZ-JQWIXIFHSA-N 1 0 281.287 0.079 10 0 CCAERO [NH3+]C[C@@H]1CC(C(=O)NC[C@@H](O)c2ccc(F)cc2)=NO1 ZINC000827315422 648305812 /nfs/dbraw/zinc/30/58/12/648305812.db2.gz QMGXIUAAOBDGDZ-CMPLNLGQSA-N 1 0 281.287 0.079 10 0 CCAERO C[NH+](C)[C@H]1CCN(C(=O)NOC[C@@H]2CCOC2)C1 ZINC000190439697 649450286 /nfs/dbraw/zinc/45/02/86/649450286.db2.gz 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c1ccc(-n2nnnc2N2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000090322765 349435488 /nfs/dbraw/zinc/43/54/88/349435488.db2.gz GGRCIUGKRZYIJW-GHMZBOCLSA-N 1 0 256.313 0.318 10 0 CCAERO CC(C)Oc1cc(NCCCN2CC[NH2+]CC2)ncn1 ZINC000090786038 349443670 /nfs/dbraw/zinc/44/36/70/349443670.db2.gz DGTMKZVYBINHHK-UHFFFAOYSA-N 1 0 279.388 0.971 10 0 CCAERO CCn1cc([C@@H](C)[NH2+]C[C@@H]2CN(C)CCO2)cn1 ZINC000091667794 349472136 /nfs/dbraw/zinc/47/21/36/349472136.db2.gz NWLIUNDTJKTSJU-DGCLKSJQSA-N 1 0 252.362 0.884 10 0 CCAERO C[C@@H]1C[NH2+]CCN1C(=O)C[C@@H](NC(N)=O)c1cccs1 ZINC000124536013 187141807 /nfs/dbraw/zinc/14/18/07/187141807.db2.gz GMCDHRRBKHCTCA-NXEZZACHSA-N 1 0 296.396 0.668 10 0 CCAERO Cc1nc2n(n1)CCC[C@@H]2NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000175869150 282098279 /nfs/dbraw/zinc/09/82/79/282098279.db2.gz HNEAZOZSAULKNI-NEPJUHHUSA-N 1 0 292.387 0.767 10 0 CCAERO NC(=O)NC(=O)OCCCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000093193744 349531524 /nfs/dbraw/zinc/53/15/24/349531524.db2.gz FGQUCCIONMMIRC-NSHDSACASA-N 1 0 284.360 0.352 10 0 CCAERO CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000093343758 349539174 /nfs/dbraw/zinc/53/91/74/349539174.db2.gz OILDXCSCNDVUJE-DCAQKATOSA-N 1 0 271.361 0.312 10 0 CCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)CNC(=O)c1cccc(F)c1 ZINC000335504980 212187754 /nfs/dbraw/zinc/18/77/54/212187754.db2.gz MDNPVNOYCOZOIF-BXKDBHETSA-N 1 0 279.315 0.504 10 0 CCAERO C[C@@H](c1cnccn1)S(=O)(=O)N1CCC[C@H](C[NH3+])C1 ZINC000095068132 349585091 /nfs/dbraw/zinc/58/50/91/349585091.db2.gz YAEMRRIZGLFBBF-WDEREUQCSA-N 1 0 284.385 0.538 10 0 CCAERO C[C@H](c1cnccn1)S(=O)(=O)N1CCC[C@H]([NH3+])C1 ZINC000095068135 349585317 /nfs/dbraw/zinc/58/53/17/349585317.db2.gz GAXVHFJKGLRKSM-ZJUUUORDSA-N 1 0 270.358 0.291 10 0 CCAERO O=S(=O)(N[C@@H]1CC[NH2+]C1)c1ncccc1Cl ZINC000095069789 349585998 /nfs/dbraw/zinc/58/59/98/349585998.db2.gz QSCGGYJIERBXBC-SSDOTTSWSA-N 1 0 261.734 0.375 10 0 CCAERO O=S(=O)(C[C@@H]1CCC[NH2+]1)c1ccc(Cl)nn1 ZINC000095069935 349586546 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349724892 /nfs/dbraw/zinc/72/48/92/349724892.db2.gz ASSRSGWDCYKMJH-UHFFFAOYSA-N 1 0 291.399 0.903 10 0 CCAERO CN1CCO[C@@H](CNC(=O)NCCCC[NH+]2CCCC2)C1 ZINC000104789090 349718037 /nfs/dbraw/zinc/71/80/37/349718037.db2.gz NUOPERDQGYDJST-AWEZNQCLSA-N 1 0 298.431 0.492 10 0 CCAERO O=C(C[N@@H+]1CCC[C@@H](Cn2cncn2)C1)N1CCCC1 ZINC000105919566 349728917 /nfs/dbraw/zinc/72/89/17/349728917.db2.gz UJAIKEOIOKXKHE-CYBMUJFWSA-N 1 0 277.372 0.613 10 0 CCAERO COC(=O)NCCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113229807 349806026 /nfs/dbraw/zinc/80/60/26/349806026.db2.gz LWTRTSSZSXXQFN-WDEREUQCSA-N 1 0 269.345 0.428 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC(=O)N1CCOCC1 ZINC000113270810 349807073 /nfs/dbraw/zinc/80/70/73/349807073.db2.gz NPCFOXHPEVSNMF-UONOGXRCSA-N 1 0 281.400 0.404 10 0 CCAERO CCC[C@@H](C(=O)N(C)Cc1nc(CCOC)no1)[NH+](C)C ZINC000154358181 290686622 /nfs/dbraw/zinc/68/66/22/290686622.db2.gz XXFWWLMOVSLYRV-NSHDSACASA-N 1 0 298.387 0.947 10 0 CCAERO CCNC(=O)CCCC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116787020 349872282 /nfs/dbraw/zinc/87/22/82/349872282.db2.gz NSTNGVKNTWDDFG-GFCCVEGCSA-N 1 0 285.388 0.082 10 0 CCAERO COc1ncccc1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116793686 349872929 /nfs/dbraw/zinc/87/29/29/349872929.db2.gz ASYKWEAANPNXPQ-NSHDSACASA-N 1 0 279.340 0.493 10 0 CCAERO CCn1cc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cn1 ZINC000116795042 349873189 /nfs/dbraw/zinc/87/31/89/349873189.db2.gz XFNHSIKRSMYEFO-LBPRGKRZSA-N 1 0 266.345 0.306 10 0 CCAERO CCCNC(=O)CCC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116790899 349873296 /nfs/dbraw/zinc/87/32/96/349873296.db2.gz YBIIJJAFXIDUCP-GFCCVEGCSA-N 1 0 285.388 0.082 10 0 CCAERO CNC(=O)[C@H](NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC000178421481 529920117 /nfs/dbraw/zinc/92/01/17/529920117.db2.gz UAAOXQSMKOLJBD-FRRDWIJNSA-N 1 0 298.431 0.929 10 0 CCAERO CCSCC[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000119129310 349920303 /nfs/dbraw/zinc/92/03/03/349920303.db2.gz VQXMETGBSNMPRQ-UHFFFAOYSA-N 1 0 292.412 0.999 10 0 CCAERO CCC[C@H](C(=O)NC[C@@H](C)CN1CCOCC1)[NH+](C)C ZINC000162234028 290738754 /nfs/dbraw/zinc/73/87/54/290738754.db2.gz XBRVHOFCWWIHMY-ZIAGYGMSSA-N 1 0 285.432 0.801 10 0 CCAERO C[C@H]1CN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C[C@H]1C ZINC000262313530 290752682 /nfs/dbraw/zinc/75/26/82/290752682.db2.gz QQJGSMQACWFYRD-WVWOOGAGSA-N 1 0 276.384 0.838 10 0 CCAERO CC[NH+](CC)CCN1CCC(N2CCNC2=O)CC1 ZINC000119602376 349943391 /nfs/dbraw/zinc/94/33/91/349943391.db2.gz CJYJESOYIWOODP-UHFFFAOYSA-N 1 0 268.405 0.818 10 0 CCAERO CCc1nn(C)cc1CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000164960016 136842397 /nfs/dbraw/zinc/84/23/97/136842397.db2.gz COWIHBMOFJSJKE-CQSZACIVSA-N 1 0 264.373 0.988 10 0 CCAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]2CCOC2)CC1 ZINC000176439290 136875529 /nfs/dbraw/zinc/87/55/29/136875529.db2.gz KZTQHHAXHKRYJC-GXTWGEPZSA-N 1 0 284.400 0.574 10 0 CCAERO O=C(N[C@@H]1CCCC[C@@H]1CO)c1[nH]nc2c1C[NH2+]CC2 ZINC000188987017 136923218 /nfs/dbraw/zinc/92/32/18/136923218.db2.gz SABFYAAJNPISHQ-MWLCHTKSSA-N 1 0 278.356 0.336 10 0 CCAERO C[C@H]1OCCC[C@@H]1C(=O)NCCN1CC[NH+](C)CC1 ZINC000191574632 136938045 /nfs/dbraw/zinc/93/80/45/136938045.db2.gz GHPVGZBRVDQLMW-OLZOCXBDSA-N 1 0 269.389 0.165 10 0 CCAERO C[N@H+]1C[C@H]2CN(CC(=O)NCc3ccco3)C[C@H]2C1 ZINC000193658806 136944724 /nfs/dbraw/zinc/94/47/24/136944724.db2.gz BQCIUXVQUOOLFB-TXEJJXNPSA-N 1 0 263.341 0.389 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1ccn(C)n1 ZINC000248436952 136992279 /nfs/dbraw/zinc/99/22/79/136992279.db2.gz SHXQSYCYOLHAIB-YPMHNXCESA-N 1 0 262.357 0.658 10 0 CCAERO COC[C@H](O)C[N@@H+]1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249603038 137000305 /nfs/dbraw/zinc/00/03/05/137000305.db2.gz YWVOTEYUOBXLMP-JHJVBQTASA-N 1 0 271.382 0.763 10 0 CCAERO NC(=O)N1CCC[C@H](C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000249884475 137000982 /nfs/dbraw/zinc/00/09/82/137000982.db2.gz AWXRTSAMNAVTNV-STQMWFEESA-N 1 0 294.399 0.474 10 0 CCAERO COC(=O)c1cncc(N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000250468719 137001295 /nfs/dbraw/zinc/00/12/95/137001295.db2.gz PBVSHWKJFQHDSI-JTQLQIEISA-N 1 0 262.313 0.548 10 0 CCAERO O=C(NC[C@@H]1CCCCO1)N[C@@H]1CCCC[NH2+]C1 ZINC000258775633 137005642 /nfs/dbraw/zinc/00/56/42/137005642.db2.gz XAUVRAIAHLSUNF-NEPJUHHUSA-N 1 0 255.362 0.997 10 0 CCAERO CC1(C)CN(S(=O)(=O)c2cccnc2)CC[C@H]1[NH3+] ZINC000259057887 137005809 /nfs/dbraw/zinc/00/58/09/137005809.db2.gz MZUIAEVBJIKMRB-LLVKDONJSA-N 1 0 269.370 0.830 10 0 CCAERO C[C@H](C1CC1)n1[nH]cc/c1=N\C(=O)CN1CC[NH2+]CC1 ZINC000261618715 137012818 /nfs/dbraw/zinc/01/28/18/137012818.db2.gz BSKOGSKHDVEICD-MUOMHZFWSA-N 1 0 277.372 0.120 10 0 CCAERO COC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000262347867 137039295 /nfs/dbraw/zinc/03/92/95/137039295.db2.gz UEXRPOYWSWHATC-QWHCGFSZSA-N 1 0 291.351 0.190 10 0 CCAERO COC(=O)CC1(NC(=O)[C@H](C)C2C[NH2+]C2)CCC1 ZINC000262347886 137039562 /nfs/dbraw/zinc/03/95/62/137039562.db2.gz GBUMTFKRVSIYNX-SECBINFHSA-N 1 0 254.330 0.444 10 0 CCAERO COC[C@@H]([NH3+])C(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000262383004 137041059 /nfs/dbraw/zinc/04/10/59/137041059.db2.gz YBOZIDWKZXPMRH-CYBMUJFWSA-N 1 0 292.383 0.449 10 0 CCAERO CCOc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262388005 137041668 /nfs/dbraw/zinc/04/16/68/137041668.db2.gz XPFSEZNPBBXSFA-YPMHNXCESA-N 1 0 264.325 0.395 10 0 CCAERO CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)[C@@H]([NH3+])COC ZINC000262511167 137045738 /nfs/dbraw/zinc/04/57/38/137045738.db2.gz JPAKBIHLQQYZEA-UONOGXRCSA-N 1 0 280.368 0.851 10 0 CCAERO O=C(Nc1cccc(OCCF)c1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262549135 137046684 /nfs/dbraw/zinc/04/66/84/137046684.db2.gz SRLDUDZFBPBHOP-ZYHUDNBSSA-N 1 0 268.288 0.696 10 0 CCAERO COCC[NH2+]CC(=O)NC[C@H](O)c1ccc(F)cc1 ZINC000262621344 137048417 /nfs/dbraw/zinc/04/84/17/137048417.db2.gz PMWXVOPLYXGAJA-LBPRGKRZSA-N 1 0 270.304 0.211 10 0 CCAERO Cc1nn(C(C)(C)C)c(C)c1CNC[C@H]1C[NH2+]C[C@H]1O ZINC000263110402 137058359 /nfs/dbraw/zinc/05/83/59/137058359.db2.gz AGDZPGZEKJSMRQ-GXTWGEPZSA-N 1 0 280.416 0.925 10 0 CCAERO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1cnn2ccncc12 ZINC000261714922 137016953 /nfs/dbraw/zinc/01/69/53/137016953.db2.gz JSRMOEHZXLRPAK-GBIKHYSHSA-N 1 0 273.340 0.846 10 0 CCAERO C[NH2+][C@H](C)Cc1noc(-c2sccc2-n2cnnn2)n1 ZINC000261777130 137019685 /nfs/dbraw/zinc/01/96/85/137019685.db2.gz NPUHAEYUMUXWDA-SSDOTTSWSA-N 1 0 291.340 0.924 10 0 CCAERO Cc1cc(CC(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])[nH]n1 ZINC000261786099 137020004 /nfs/dbraw/zinc/02/00/04/137020004.db2.gz LMGNEGNRTLJHBO-JOYOIKCWSA-N 1 0 250.346 0.846 10 0 CCAERO C[C@@H]([NH3+])CC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000261798866 137020812 /nfs/dbraw/zinc/02/08/12/137020812.db2.gz KVBVDQBDMSBXRJ-UKRRQHHQSA-N 1 0 291.395 0.602 10 0 CCAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@@H]2CCCO2)cn1 ZINC000261839320 137021978 /nfs/dbraw/zinc/02/19/78/137021978.db2.gz AEPQZWQQNXUBMS-XQQFMLRXSA-N 1 0 278.356 0.018 10 0 CCAERO COCCc1noc(CN(C)C(=O)[C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000261855059 137022757 /nfs/dbraw/zinc/02/27/57/137022757.db2.gz WESLFXQKRPHLDH-GHMZBOCLSA-N 1 0 296.371 0.592 10 0 CCAERO C[NH2+][C@@H](C)CNC(=O)[C@@H](C)NC(=O)COc1ccccc1 ZINC000261868649 137023457 /nfs/dbraw/zinc/02/34/57/137023457.db2.gz ZKKGIPPZWGMQFR-NWDGAFQWSA-N 1 0 293.367 0.294 10 0 CCAERO CCNC(=O)N1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261878342 137023703 /nfs/dbraw/zinc/02/37/03/137023703.db2.gz YRLIHMVKYJUNQM-GRYCIOLGSA-N 1 0 282.388 0.281 10 0 CCAERO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cccc2c1OCC(=O)N2 ZINC000261893265 137024517 /nfs/dbraw/zinc/02/45/17/137024517.db2.gz VQIYGMBZDWVHDL-NXEZZACHSA-N 1 0 289.335 0.827 10 0 CCAERO CCC[C@](C)(NC(=O)[C@H](C)C1C[NH2+]C1)C(=O)OC ZINC000262014315 137028574 /nfs/dbraw/zinc/02/85/74/137028574.db2.gz CHJXJVFIZGNWOE-RNCFNFMXSA-N 1 0 256.346 0.690 10 0 CCAERO COC(=O)c1cccc(CNC(=O)[C@H](C)C2C[NH2+]C2)c1 ZINC000262186126 137030142 /nfs/dbraw/zinc/03/01/42/137030142.db2.gz LMRVNCBGCQZRRJ-SNVBAGLBSA-N 1 0 276.336 0.945 10 0 CCAERO C[C@H](C(=O)N(CC(N)=O)Cc1ccccc1)C1C[NH2+]C1 ZINC000262196331 137030497 /nfs/dbraw/zinc/03/04/97/137030497.db2.gz MOCKHVVKCBWBSY-NSHDSACASA-N 1 0 275.352 0.356 10 0 CCAERO CC(C)CC1(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)CCC1 ZINC000262231643 137031856 /nfs/dbraw/zinc/03/18/56/137031856.db2.gz KGUNLKMFTOSQLB-NEPJUHHUSA-N 1 0 254.374 0.899 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cc(-c2cccnc2)on1 ZINC000262289267 137035639 /nfs/dbraw/zinc/03/56/39/137035639.db2.gz OMRRUILHVVTMOG-ZYHUDNBSSA-N 1 0 288.307 0.047 10 0 CCAERO CC(C)c1cccc(OCC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262313512 137036877 /nfs/dbraw/zinc/03/68/77/137036877.db2.gz QQDLIRMTJZSRMT-ZFWWWQNUSA-N 1 0 292.379 0.885 10 0 CCAERO COC[C@H]([NH3+])C(=O)Nc1cc(C)nn1Cc1ccccn1 ZINC000262317738 137037245 /nfs/dbraw/zinc/03/72/45/137037245.db2.gz DTOLADXHHITJCK-LBPRGKRZSA-N 1 0 289.339 0.547 10 0 CCAERO CS[C@H](C)C(=O)Nc1nc(C2CC[NH2+]CC2)nn1C ZINC000262322009 137037331 /nfs/dbraw/zinc/03/73/31/137037331.db2.gz CULFIBNKSTUPDK-MRVPVSSYSA-N 1 0 283.401 0.972 10 0 CCAERO O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)C1C[NH2+]C1 ZINC000263262226 137062359 /nfs/dbraw/zinc/06/23/59/137062359.db2.gz GPABEGUTUJDIHF-GFCCVEGCSA-N 1 0 293.754 0.781 10 0 CCAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1cnc(C(F)(F)F)s1 ZINC000263281646 137062760 /nfs/dbraw/zinc/06/27/60/137062760.db2.gz UIRRPKUDHGHUPK-POYBYMJQSA-N 1 0 281.303 0.832 10 0 CCAERO O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)C1C[NH2+]C1 ZINC000263306997 137063433 /nfs/dbraw/zinc/06/34/33/137063433.db2.gz OPNIPWWMACBLDM-LLVKDONJSA-N 1 0 277.343 0.988 10 0 CCAERO C[C@H](c1nc([C@H]2C[NH2+]CCN2C)no1)N1CCOCC1 ZINC000263300660 137063552 /nfs/dbraw/zinc/06/35/52/137063552.db2.gz WZKDDIYEQIYLQU-GHMZBOCLSA-N 1 0 281.360 0.039 10 0 CCAERO Cn1c(CNC[C@@H]2C[NH2+]C[C@@H]2O)nc2cc(Cl)ccc21 ZINC000263319090 137063899 /nfs/dbraw/zinc/06/38/99/137063899.db2.gz ZXLJEDUPIYFMSV-ZANVPECISA-N 1 0 294.786 0.897 10 0 CCAERO CC(=O)N[C@H](CCCC[NH3+])C(=O)NCc1ccccc1 ZINC000003589515 347984685 /nfs/dbraw/zinc/98/46/85/347984685.db2.gz YPNZVOZZUZERMK-CQSZACIVSA-N 1 0 277.368 0.937 10 0 CCAERO O=C(C1CCN(c2ncccn2)CC1)N1CC[NH2+]CC1 ZINC000034460592 348150506 /nfs/dbraw/zinc/15/05/06/348150506.db2.gz XTTYPNAXDCSZQM-UHFFFAOYSA-N 1 0 275.356 0.125 10 0 CCAERO C[C@H]([NH2+][C@@H]1CCS(=O)(=O)C1)C(=O)N1CCCCCC1 ZINC000034937543 348152683 /nfs/dbraw/zinc/15/26/83/348152683.db2.gz LAFYTHXXIUBVNW-NWDGAFQWSA-N 1 0 288.413 0.554 10 0 CCAERO CCC[C@@H]([NH3+])C(=O)N1CCC[C@H](NC(=O)OCC)C1 ZINC000037820788 348210753 /nfs/dbraw/zinc/21/07/53/348210753.db2.gz HREYYPCGAZINKQ-WDEREUQCSA-N 1 0 271.361 0.851 10 0 CCAERO CCCCNC(=O)NC(=O)CN1CC[C@@H](O)C[C@H]1C ZINC000602931344 362891831 /nfs/dbraw/zinc/89/18/31/362891831.db2.gz SDAWJHSLBPYKNH-GHMZBOCLSA-N 1 0 271.361 0.458 10 0 CCAERO C[NH2+][C@H](C)C(=O)NCCNC(=O)c1ccc(C)cc1 ZINC000054075607 348541473 /nfs/dbraw/zinc/54/14/73/348541473.db2.gz RLFNHDFDTFHVNW-LLVKDONJSA-N 1 0 263.341 0.449 10 0 CCAERO C[NH2+][C@H](C)C(=O)NC[C@@H](c1cccs1)N1CCOCC1 ZINC000054076472 348541689 /nfs/dbraw/zinc/54/16/89/348541689.db2.gz LOQZZVBFRDMZIL-NEPJUHHUSA-N 1 0 297.424 0.846 10 0 CCAERO CS(=O)(=O)c1ccc(NC(=O)C[C@@H]2CCC[NH2+]C2)cn1 ZINC000054306499 348548789 /nfs/dbraw/zinc/54/87/89/348548789.db2.gz ZTACRWQLPOKIMX-JTQLQIEISA-N 1 0 297.380 0.813 10 0 CCAERO C[C@@H](CN1CCCC1=O)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054307629 348549629 /nfs/dbraw/zinc/54/96/29/348549629.db2.gz SMVMCLGHJJQHME-RYUDHWBXSA-N 1 0 267.373 0.503 10 0 CCAERO C[NH2+]CCN(C)C(=O)[C@H]1CCCCN1C(=O)[C@H]1CCCO1 ZINC000120685997 349999934 /nfs/dbraw/zinc/99/99/34/349999934.db2.gz HLODXABPANIMPH-CHWSQXEVSA-N 1 0 297.399 0.224 10 0 CCAERO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH2+]CC1 ZINC000058040691 348620641 /nfs/dbraw/zinc/62/06/41/348620641.db2.gz GQMAOEVQPOCOFU-NSHDSACASA-N 1 0 285.388 0.968 10 0 CCAERO O=C(Nc1cccnc1)C(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000064305209 348698516 /nfs/dbraw/zinc/69/85/16/348698516.db2.gz WYRIKBQXIGOLKT-UHFFFAOYSA-N 1 0 288.351 0.717 10 0 CCAERO COc1ccc(C(=O)CN2CC[C@H]([NH3+])C2)cc1OC ZINC000070459800 348890216 /nfs/dbraw/zinc/89/02/16/348890216.db2.gz LBSPOXRTYPGMAV-NSHDSACASA-N 1 0 264.325 0.920 10 0 CCAERO CN(CN1C(=O)c2ccccc2C1=O)[C@@H]1CC[NH2+]C1 ZINC000071310601 348908278 /nfs/dbraw/zinc/90/82/78/348908278.db2.gz DTSJDZMMTMNDRG-SNVBAGLBSA-N 1 0 259.309 0.534 10 0 CCAERO COc1cccc(NCCc2nnc(CC[NH3+])[nH]2)c1 ZINC000072236554 348917139 /nfs/dbraw/zinc/91/71/39/348917139.db2.gz ZDCPPIVRFAYZOP-UHFFFAOYSA-N 1 0 261.329 0.969 10 0 CCAERO CCOCCN(CC)c1c(C(N)=[NH2+])c(C)nn1C ZINC000104306500 185961234 /nfs/dbraw/zinc/96/12/34/185961234.db2.gz ZJHFVCQJJLGPHI-UHFFFAOYSA-N 1 0 253.350 0.875 10 0 CCAERO CNC(=O)c1ccc(CNC(=O)[C@@]2(C)CCC[NH2+]2)cc1 ZINC000079519434 349182637 /nfs/dbraw/zinc/18/26/37/349182637.db2.gz YXGAGMFZBOKZOT-OAHLLOKOSA-N 1 0 275.352 0.805 10 0 CCAERO COC(=O)CCNC(=O)CN1CCC([NH+]2CCCC2)CC1 ZINC000079881479 349193360 /nfs/dbraw/zinc/19/33/60/349193360.db2.gz QXXATNGIZRBURW-UHFFFAOYSA-N 1 0 297.399 0.226 10 0 CCAERO Cc1nn(C)c(N2CCC[C@@H]2C(=O)N(C)C)c1C[NH3+] ZINC000104326864 185970785 /nfs/dbraw/zinc/97/07/85/185970785.db2.gz DUUOHPKFWHZTCA-LLVKDONJSA-N 1 0 265.361 0.244 10 0 CCAERO CCOCCNC(=O)CN1CCC[N@@H+](C2CC2)CC1 ZINC000084695177 349324472 /nfs/dbraw/zinc/32/44/72/349324472.db2.gz MFQHUIPOSSENLG-UHFFFAOYSA-N 1 0 269.389 0.309 10 0 CCAERO CC(=O)N(Cc1noc(C(C)C)n1)[C@@H]1CC[NH2+]C1 ZINC000088611568 349369525 /nfs/dbraw/zinc/36/95/25/349369525.db2.gz HKZKXXMEXHJIEG-SNVBAGLBSA-N 1 0 252.318 0.903 10 0 CCAERO COC(=O)CCCN(C)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089456857 349387627 /nfs/dbraw/zinc/38/76/27/349387627.db2.gz DBEZDFKGOIPWPP-WDEREUQCSA-N 1 0 256.346 0.773 10 0 CCAERO COCC[N@@H+]1CCN(CC2=CCCOC2)C[C@@H]1C ZINC000120843127 350009113 /nfs/dbraw/zinc/00/91/13/350009113.db2.gz XNCLCCMFLJUSRH-ZDUSSCGKSA-N 1 0 254.374 0.986 10 0 CCAERO O=C(CCOC1CC[NH2+]CC1)N[C@H]1CCC[C@H](O)C1 ZINC000104384083 185988490 /nfs/dbraw/zinc/98/84/90/185988490.db2.gz NXHDCCLBHVPWCD-RYUDHWBXSA-N 1 0 270.373 0.565 10 0 CCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCC(=O)NC1CC1 ZINC000121126937 350024419 /nfs/dbraw/zinc/02/44/19/350024419.db2.gz MOWNSXBRWFTJKX-GFCCVEGCSA-N 1 0 284.404 0.541 10 0 CCAERO COCCCSCc1nc2c(cnn2C)c(NN)[nH+]1 ZINC000104431584 186000407 /nfs/dbraw/zinc/00/04/07/186000407.db2.gz MGOBGVZIVZLWAX-UHFFFAOYSA-N 1 0 282.373 0.919 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCCn1cccn1 ZINC000127248451 350165263 /nfs/dbraw/zinc/16/52/63/350165263.db2.gz UKDIJBRZLUHTTH-NWDGAFQWSA-N 1 0 250.346 0.778 10 0 CCAERO O=C(NC[C@@H]1CN(C2CC2)CCO1)C1(O)CCCC1 ZINC000127331707 350166641 /nfs/dbraw/zinc/16/66/41/350166641.db2.gz URTDUTBGQIELMR-GFCCVEGCSA-N 1 0 268.357 0.271 10 0 CCAERO C[N@@H+](CC(=O)NCCOc1ccccc1)CC1CC(O)C1 ZINC000091499125 180174069 /nfs/dbraw/zinc/17/40/69/180174069.db2.gz GUWSTEZRIYWRMB-UHFFFAOYSA-N 1 0 292.379 0.884 10 0 CCAERO COc1ccc(CNC(=O)C2C[NH2+]C2)cc1OC ZINC000091395867 180146534 /nfs/dbraw/zinc/14/65/34/180146534.db2.gz NDRCHHIPBMZKFK-UHFFFAOYSA-N 1 0 250.298 0.539 10 0 CCAERO CCNC(=O)CCCC(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000104896831 186030280 /nfs/dbraw/zinc/03/02/80/186030280.db2.gz RGAWUDDQBOMFSV-CYBMUJFWSA-N 1 0 299.415 0.520 10 0 CCAERO C[N@H+](CCNC(=O)C(C)(C)N1CC[NH2+]CC1)C1CCCC1 ZINC000129746641 350222082 /nfs/dbraw/zinc/22/20/82/350222082.db2.gz IBWNYTGZJIXHKN-UHFFFAOYSA-N 1 0 296.459 0.661 10 0 CCAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCC[C@@H]2CO)C1 ZINC000129471765 350214863 /nfs/dbraw/zinc/21/48/63/350214863.db2.gz YWRHWODYSHEZSN-IJLUTSLNSA-N 1 0 255.362 0.635 10 0 CCAERO COC[C@H](C)CNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131271925 350269903 /nfs/dbraw/zinc/26/99/03/350269903.db2.gz KUQNYKFEUZPLSJ-LLVKDONJSA-N 1 0 257.378 0.069 10 0 CCAERO C[C@H]1CN(C(=O)C(C)(C)N2CC[NH2+]CC2)CCCO1 ZINC000131285504 350270802 /nfs/dbraw/zinc/27/08/02/350270802.db2.gz CRTRRYIUHULKOT-LBPRGKRZSA-N 1 0 269.389 0.308 10 0 CCAERO CC[N@H+](CC(=O)N1CCO[C@H](c2nnc(C)[nH]2)C1)C1CC1 ZINC000132965436 350321020 /nfs/dbraw/zinc/32/10/20/350321020.db2.gz VWSAFSGZTSARFB-LBPRGKRZSA-N 1 0 293.371 0.497 10 0 CCAERO CCc1nc2n(n1)C[C@H](NC(=O)NCC[NH+](C)C)CC2 ZINC000133689036 350342139 /nfs/dbraw/zinc/34/21/39/350342139.db2.gz FGWFZBKVWDNDCC-SNVBAGLBSA-N 1 0 280.376 0.016 10 0 CCAERO C[C@H](NC(=O)NCC[NH+](C)C)c1nnc2n1CCCC2 ZINC000133898756 350348471 /nfs/dbraw/zinc/34/84/71/350348471.db2.gz HALVKQCQNGEFQS-JTQLQIEISA-N 1 0 280.376 0.536 10 0 CCAERO C[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)C(=O)N1CCCC1 ZINC000135270917 350390554 /nfs/dbraw/zinc/39/05/54/350390554.db2.gz TWRPQJQNSUKXPY-AXFHLTTASA-N 1 0 253.346 0.241 10 0 CCAERO C[C@@H](C(=O)N(C)C)[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105909329 186088185 /nfs/dbraw/zinc/08/81/85/186088185.db2.gz QGWABFLYGYQLNK-LBPRGKRZSA-N 1 0 277.372 0.465 10 0 CCAERO CN(C(=O)CN1CCO[C@@H](C[NH+](C)C)C1)c1ccccc1 ZINC000105925484 186091140 /nfs/dbraw/zinc/09/11/40/186091140.db2.gz NTYFWULGLWWLHP-HNNXBMFYSA-N 1 0 291.395 0.912 10 0 CCAERO COc1cc(CC(=O)N2CC[NH2+]CC2)ccc1C#N ZINC000145944327 350466228 /nfs/dbraw/zinc/46/62/28/350466228.db2.gz 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350623032 /nfs/dbraw/zinc/62/30/32/350623032.db2.gz BZVYRUXFYQJGLO-CHWSQXEVSA-N 1 0 296.415 0.781 10 0 CCAERO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2ccc(O)cc2)C1 ZINC000110432262 186295142 /nfs/dbraw/zinc/29/51/42/186295142.db2.gz QWTSFUKJMAWVNP-SNVBAGLBSA-N 1 0 270.354 0.717 10 0 CCAERO C[C@H]([NH3+])[C@H]1CN(CN2C(=O)c3ccccc3C2=O)CCO1 ZINC000156523116 350631384 /nfs/dbraw/zinc/63/13/84/350631384.db2.gz SDHHHQVQLVTWGE-GXFFZTMASA-N 1 0 289.335 0.288 10 0 CCAERO CCC[C@@H](C(=O)NCCCN1C(=O)CCC1=O)[NH+](C)C ZINC000162030521 350734873 /nfs/dbraw/zinc/73/48/73/350734873.db2.gz MNZVIEJNYSGLFV-NSHDSACASA-N 1 0 283.372 0.372 10 0 CCAERO COC[C@@H]([NH3+])C(=O)N[C@H](CC(=O)OC)c1cccs1 ZINC000167802012 350814490 /nfs/dbraw/zinc/81/44/90/350814490.db2.gz ZBFFCUQTCNRUFD-RKDXNWHRSA-N 1 0 286.353 0.442 10 0 CCAERO CCOC(=O)C[C@@H](O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000167040334 350804850 /nfs/dbraw/zinc/80/48/50/350804850.db2.gz BABOWFBSZYWKLZ-VXGBXAGGSA-N 1 0 256.346 0.081 10 0 CCAERO 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C[C@@H]1CN(C(=O)N2CC(C)(CO)C2)C[C@@]1(C)C[NH3+] ZINC000334956487 296820503 /nfs/dbraw/zinc/82/05/03/296820503.db2.gz OADALKJAKVZMKE-ZWNOBZJWSA-N 1 0 255.362 0.337 10 0 CCAERO CN(Cc1cn(C)nn1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000659368988 413454550 /nfs/dbraw/zinc/45/45/50/413454550.db2.gz RMRIMNOYBXKIRJ-ONGXEEELSA-N 1 0 251.334 0.149 10 0 CCAERO Cc1cc(C(C)C)nc(NCC(=O)N2CC[NH2+]CC2)n1 ZINC000122547408 411706465 /nfs/dbraw/zinc/70/64/65/411706465.db2.gz BVDPNQDBFQCZPS-UHFFFAOYSA-N 1 0 277.372 0.752 10 0 CCAERO CC(C)c1nsc(N2CCN(C)C[C@@H]2C[NH3+])n1 ZINC000122829448 411708061 /nfs/dbraw/zinc/70/80/61/411708061.db2.gz XDIVHHPJBKVEQY-VIFPVBQESA-N 1 0 255.391 0.741 10 0 CCAERO Cc1cccc(CNC(=O)Cn2cc(C[NH3+])nn2)c1 ZINC000123046225 411711220 /nfs/dbraw/zinc/71/12/20/411711220.db2.gz GVDMYVVENBFSPQ-UHFFFAOYSA-N 1 0 259.313 0.362 10 0 CCAERO CCN(C(=O)Cn1cc(C[NH3+])nn1)c1ccccc1 ZINC000050224233 411676087 /nfs/dbraw/zinc/67/60/87/411676087.db2.gz SMDOMQYLUBJWKT-UHFFFAOYSA-N 1 0 259.313 0.790 10 0 CCAERO CCN(Cc1ccccc1)C(=O)Cn1cc(C[NH3+])nn1 ZINC000050224260 411676988 /nfs/dbraw/zinc/67/69/88/411676988.db2.gz ZZWQEHIYCQWLBS-UHFFFAOYSA-N 1 0 273.340 0.786 10 0 CCAERO CC[N@H+](C)C[C@H](O)CN1CCO[C@@H]2CCCC[C@H]21 ZINC000311147092 411749879 /nfs/dbraw/zinc/74/98/79/411749879.db2.gz MIMLQLQDGJTKCM-BFHYXJOUSA-N 1 0 256.390 0.942 10 0 CCAERO O[C@@H](C[NH2+]C1COCCOC1)COCc1ccco1 ZINC000311781796 411751520 /nfs/dbraw/zinc/75/15/20/411751520.db2.gz YNWFUHIWCNMNCV-LBPRGKRZSA-N 1 0 271.313 0.162 10 0 CCAERO CC[C@@H]1CN(C(=O)C2([NH3+])CCOCC2)[C@@H](C)CO1 ZINC000403949241 411790122 /nfs/dbraw/zinc/79/01/22/411790122.db2.gz LAAWYEJIWWFQEB-WDEREUQCSA-N 1 0 256.346 0.520 10 0 CCAERO C[NH2+]Cc1ccccc1CNc1nccn(C)c1=O ZINC000404508700 411795520 /nfs/dbraw/zinc/79/55/20/411795520.db2.gz CKODPGFNYLAJQY-UHFFFAOYSA-N 1 0 258.325 0.534 10 0 CCAERO CCO[C@@H]1CN(c2ccnc(N(C)C)n2)C[C@H]1C[NH3+] ZINC000405614196 411804278 /nfs/dbraw/zinc/80/42/78/411804278.db2.gz TVFBLRVTNJUQTA-GHMZBOCLSA-N 1 0 265.361 0.343 10 0 CCAERO CCO[C@@H]1CN(c2ncnc(CC)c2F)C[C@H]1C[NH3+] ZINC000405599378 411804554 /nfs/dbraw/zinc/80/45/54/411804554.db2.gz OZKDNHHJZWFKMS-MWLCHTKSSA-N 1 0 268.336 0.978 10 0 CCAERO COC(=O)C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000616572036 411841366 /nfs/dbraw/zinc/84/13/66/411841366.db2.gz SVMKLFGPIYJSML-RYUDHWBXSA-N 1 0 280.299 0.642 10 0 CCAERO CCOC(=O)C(=O)N1CC[C@@H](c2ccccc2)[C@@H]([NH3+])C1 ZINC000616570675 411841554 /nfs/dbraw/zinc/84/15/54/411841554.db2.gz NVDRJHRLJQECLI-STQMWFEESA-N 1 0 276.336 0.893 10 0 CCAERO NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc(C[NH3+])c2)C1 ZINC000019261235 170762322 /nfs/dbraw/zinc/76/23/22/170762322.db2.gz FXYKIHVGKJJSEM-LLVKDONJSA-N 1 0 297.380 0.031 10 0 CCAERO CO[C@@H]1C[NH2+][C@H](c2nc(C[C@@H]3CCCO3)no2)C1 ZINC000020007524 170967783 /nfs/dbraw/zinc/96/77/83/170967783.db2.gz RAZGKSCGWXNIGB-GUBZILKMSA-N 1 0 253.302 0.841 10 0 CCAERO CCCCC(=O)N[C@H](C(=O)N1CC[NH2+]CC1)C(C)C ZINC000020184046 171047090 /nfs/dbraw/zinc/04/70/90/171047090.db2.gz JEUNCQFHSHIJGN-ZDUSSCGKSA-N 1 0 269.389 0.749 10 0 CCAERO C[C@H]([NH2+]CCNS(C)(=O)=O)c1ccc(O)cc1 ZINC000020203116 171067547 /nfs/dbraw/zinc/06/75/47/171067547.db2.gz PEHXWAYEGQUQCK-VIFPVBQESA-N 1 0 258.343 0.592 10 0 CCAERO CN(C)S(=O)(=O)N(CCC[NH3+])c1cccc(F)c1 ZINC000020233177 171095248 /nfs/dbraw/zinc/09/52/48/171095248.db2.gz KMVDMPITEWDHLZ-UHFFFAOYSA-N 1 0 275.349 0.787 10 0 CCAERO CCN(c1cccc(OC)c1)S(=O)(=O)CC[NH3+] ZINC000020261847 171119021 /nfs/dbraw/zinc/11/90/21/171119021.db2.gz WNZNNHVFBAMIMO-UHFFFAOYSA-N 1 0 258.343 0.810 10 0 CCAERO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C(N)=S)cc1 ZINC000020294829 171135227 /nfs/dbraw/zinc/13/52/27/171135227.db2.gz DQUCTLZAGMXUNB-NSHDSACASA-N 1 0 263.366 0.771 10 0 CCAERO COc1ccccc1C[NH2+][C@H](C)C(=O)NC(N)=O ZINC000020309242 171143537 /nfs/dbraw/zinc/14/35/37/171143537.db2.gz XIQLDGQBZLVTNR-MRVPVSSYSA-N 1 0 251.286 0.368 10 0 CCAERO O=C(Nc1cccc2cccnc21)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000020433935 171198926 /nfs/dbraw/zinc/19/89/26/171198926.db2.gz BSZXYYMHZJICSA-ZYHUDNBSSA-N 1 0 257.293 0.896 10 0 CCAERO Cn1cc([C@H]([NH3+])c2cccc(S(C)(=O)=O)c2)cn1 ZINC000020476855 171221392 /nfs/dbraw/zinc/22/13/92/171221392.db2.gz XMZBOHFEIKFZKO-GFCCVEGCSA-N 1 0 265.338 0.872 10 0 CCAERO COC(C)(C)C[C@@H](C)[NH2+]CCNS(C)(=O)=O ZINC000020524779 171237856 /nfs/dbraw/zinc/23/78/56/171237856.db2.gz BZWUUUKHCIYYJH-SECBINFHSA-N 1 0 252.380 0.329 10 0 CCAERO NC(=O)[C@@H]1CCCN(C(=O)C[C@H]2CCCC[NH2+]2)C1 ZINC000020597189 171265863 /nfs/dbraw/zinc/26/58/63/171265863.db2.gz RGLKZAALESCJHU-GHMZBOCLSA-N 1 0 253.346 0.243 10 0 CCAERO C[NH2+]CCCNCc1cccc(OC)c1OCC(N)=O ZINC000020872585 171277259 /nfs/dbraw/zinc/27/72/59/171277259.db2.gz YFFMFKMEMBDBLS-UHFFFAOYSA-N 1 0 281.356 0.258 10 0 CCAERO NC(=O)C1CCN(CC(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000022167219 171366346 /nfs/dbraw/zinc/36/63/46/171366346.db2.gz PAMCBHZFOCPDBX-UHFFFAOYSA-N 1 0 290.367 0.281 10 0 CCAERO COc1cc([C@@H](C)[NH3+])ccc1OCC(=O)NC(N)=O ZINC000022214256 171374809 /nfs/dbraw/zinc/37/48/09/171374809.db2.gz XKOFWQWTTXEJLU-SSDOTTSWSA-N 1 0 267.285 0.289 10 0 CCAERO [NH3+][C@H](Cn1cccnc1=O)c1ccc2c(c1)OCO2 ZINC000022566391 171392755 /nfs/dbraw/zinc/39/27/55/171392755.db2.gz NQUIEGLWWKAUNN-SNVBAGLBSA-N 1 0 259.265 0.672 10 0 CCAERO CC(C)[NH2+]C[C@@H](O)COC(=O)c1cccc(N)c1 ZINC000025972964 171468908 /nfs/dbraw/zinc/46/89/08/171468908.db2.gz UDWXCCFJADIETF-GFCCVEGCSA-N 1 0 252.314 0.785 10 0 CCAERO CCNC(=O)[C@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653060733 412204887 /nfs/dbraw/zinc/20/48/87/412204887.db2.gz PSMAOODDPNCGRE-XLPZGREQSA-N 1 0 281.278 0.025 10 0 CCAERO O=C(N[C@@H]1CCCCNC1=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653065828 412207458 /nfs/dbraw/zinc/20/74/58/412207458.db2.gz VEPZCUYBIIYFQJ-IWSPIJDZSA-N 1 0 293.289 0.169 10 0 CCAERO C[C@@H](CCCO)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653092358 412216057 /nfs/dbraw/zinc/21/60/57/412216057.db2.gz ZVRJVMISRXTNSZ-DJLDLDEBSA-N 1 0 268.279 0.662 10 0 CCAERO O=C(NCCCn1cncn1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653108083 412221428 /nfs/dbraw/zinc/22/14/28/412221428.db2.gz HURHUXFBVDBBKG-RKDXNWHRSA-N 1 0 291.277 0.182 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cccc2cc[nH]c21 ZINC000653139124 412238431 /nfs/dbraw/zinc/23/84/31/412238431.db2.gz USLXIUAHZJDSBG-CMPLNLGQSA-N 1 0 259.309 0.478 10 0 CCAERO Cc1ncsc1C[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000284875668 196149033 /nfs/dbraw/zinc/14/90/33/196149033.db2.gz QEIOLDPZGLZNSI-NSHDSACASA-N 1 0 255.343 0.264 10 0 CCAERO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCc1cccc(F)c1 ZINC000035142967 172009236 /nfs/dbraw/zinc/00/92/36/172009236.db2.gz SHMFCZBUUKJBNY-SECBINFHSA-N 1 0 267.304 0.802 10 0 CCAERO CS(=O)(=O)c1ccccc1N1CCC[NH2+]CC1 ZINC000035348394 172142411 /nfs/dbraw/zinc/14/24/11/172142411.db2.gz HDVBWXIFLCKIBM-UHFFFAOYSA-N 1 0 254.355 0.890 10 0 CCAERO CN(C)C(=O)CN(C)c1nc2sccn2c1C[NH3+] ZINC000035430346 172198913 /nfs/dbraw/zinc/19/89/13/172198913.db2.gz DEOWGSDZYHLHKI-UHFFFAOYSA-N 1 0 267.358 0.379 10 0 CCAERO C[N@H+](CCC(=O)Nc1ccc(Cl)cc1N)CC(N)=O ZINC000037268163 173078756 /nfs/dbraw/zinc/07/87/56/173078756.db2.gz UDDAQAKPANOTNB-UHFFFAOYSA-N 1 0 284.747 0.668 10 0 CCAERO CNC(=O)[C@H](C)N(CCC[NH3+])c1ccccc1OC ZINC000037298746 173103077 /nfs/dbraw/zinc/10/30/77/173103077.db2.gz OJCUJXBPJBUDMP-NSHDSACASA-N 1 0 265.357 0.985 10 0 CCAERO COc1cc(C[NH2+][C@@H](C)C(N)=O)cc2c1OCCO2 ZINC000037395224 173174884 /nfs/dbraw/zinc/17/48/84/173174884.db2.gz SLGGYZAPJVHEDC-QMMMGPOBSA-N 1 0 266.297 0.430 10 0 CCAERO CCN([C@H](C)C(=O)N1CCOCC1)C1CC[NH2+]CC1 ZINC000037538782 173259245 /nfs/dbraw/zinc/25/92/45/173259245.db2.gz MDTDSVZSWCZDCC-GFCCVEGCSA-N 1 0 269.389 0.308 10 0 CCAERO CCN(CC(=O)N[C@@H](C)COC)C1CC[NH2+]CC1 ZINC000037538599 173259270 /nfs/dbraw/zinc/25/92/70/173259270.db2.gz ZTDYEKXJVCTVIW-NSHDSACASA-N 1 0 257.378 0.211 10 0 CCAERO NC(=O)CN(C(=O)CC1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000037540528 173262040 /nfs/dbraw/zinc/26/20/40/173262040.db2.gz LJPXEPUYZFJHDO-GFCCVEGCSA-N 1 0 267.373 0.633 10 0 CCAERO NC(=O)CN(C(=O)Nc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000037540617 173262156 /nfs/dbraw/zinc/26/21/56/173262156.db2.gz YTHWFUBUROJCNQ-NSHDSACASA-N 1 0 262.313 0.368 10 0 CCAERO CC(C)[NH2+]CCCC(=O)N[C@@H](C)CN1CCOCC1 ZINC000037633979 173582345 /nfs/dbraw/zinc/58/23/45/173582345.db2.gz KALLIGWKNXNPQA-ZDUSSCGKSA-N 1 0 271.405 0.602 10 0 CCAERO CN(Cc1ccc(C[NH3+])cc1)S(=O)(=O)N1CCCC1 ZINC000037757874 173681463 /nfs/dbraw/zinc/68/14/63/173681463.db2.gz LTDBAMBESAYKOM-UHFFFAOYSA-N 1 0 283.397 0.918 10 0 CCAERO CN(CCOc1ccc(F)cc1)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000037802172 173740520 /nfs/dbraw/zinc/74/05/20/173740520.db2.gz GYIXBHZKHSSXMR-YPMHNXCESA-N 1 0 282.315 0.386 10 0 CCAERO CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000037811603 173756736 /nfs/dbraw/zinc/75/67/36/173756736.db2.gz OQOPLFPAEYUWOV-MNOVXSKESA-N 1 0 291.417 0.044 10 0 CCAERO CS(=O)(=O)CCC(=O)Nc1nc2c(s1)C[NH2+]CC2 ZINC000038008280 173972520 /nfs/dbraw/zinc/97/25/20/173972520.db2.gz KCBVTUKFGPRMEV-UHFFFAOYSA-N 1 0 289.382 0.162 10 0 CCAERO C[C@@H](CNC(=O)[C@H]1CSCN1)[NH+]1CCCCC1 ZINC000038029412 174020215 /nfs/dbraw/zinc/02/02/15/174020215.db2.gz QQYFNLWASYBBEK-WDEREUQCSA-N 1 0 257.403 0.640 10 0 CCAERO CCN(CC)CC[NH2+]CCCN(CC)S(C)(=O)=O ZINC000038035821 174034158 /nfs/dbraw/zinc/03/41/58/174034158.db2.gz MJXOMVGOVXRPSI-UHFFFAOYSA-N 1 0 279.450 0.589 10 0 CCAERO CNS(=O)(=O)c1cccc(NC2CC[NH2+]CC2)c1 ZINC000038041034 174041045 /nfs/dbraw/zinc/04/10/45/174041045.db2.gz PQTYPCHOHLVJBQ-UHFFFAOYSA-N 1 0 269.370 0.759 10 0 CCAERO O=C1C[C@@H]([NH2+]C[C@@H]2CCCOC2)C(=O)N1C1CC1 ZINC000038045251 174053291 /nfs/dbraw/zinc/05/32/91/174053291.db2.gz UYERKDOVWGTYJK-GXSJLCMTSA-N 1 0 252.314 0.293 10 0 CCAERO C[C@@H]([NH2+]CCCS(C)(=O)=O)C(=O)N1CCCC1 ZINC000038048102 174058523 /nfs/dbraw/zinc/05/85/23/174058523.db2.gz VRXMVGHOFINWMP-SNVBAGLBSA-N 1 0 262.375 0.022 10 0 CCAERO CCCCCNC(=O)[C@H](C)[NH2+]CCCS(C)(=O)=O ZINC000038048118 174058859 /nfs/dbraw/zinc/05/88/59/174058859.db2.gz SRNYIEQYSDZFRX-NSHDSACASA-N 1 0 278.418 0.706 10 0 CCAERO C[C@@H]([NH2+]C[C@H]1COCCO1)C(=O)N1CCCCCC1 ZINC000038061867 174073204 /nfs/dbraw/zinc/07/32/04/174073204.db2.gz SNXWKHCKHVCZHN-OLZOCXBDSA-N 1 0 270.373 0.783 10 0 CCAERO C[C@H]([NH2+]C[C@H]1COCCO1)C(=O)N1CCCCCC1 ZINC000038061866 174073497 /nfs/dbraw/zinc/07/34/97/174073497.db2.gz SNXWKHCKHVCZHN-STQMWFEESA-N 1 0 270.373 0.783 10 0 CCAERO CCN(CC)C(=O)[C@H](C)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000038084073 174094585 /nfs/dbraw/zinc/09/45/85/174094585.db2.gz CTTCEKCDAVXBKF-WDEREUQCSA-N 1 0 276.402 0.268 10 0 CCAERO [NH3+]CCc1ccccc1O[C@@H]1CCS(=O)(=O)C1 ZINC000038085519 174096322 /nfs/dbraw/zinc/09/63/22/174096322.db2.gz OAIWLIBGUCHYPF-LLVKDONJSA-N 1 0 255.339 0.754 10 0 CCAERO CCCNC(=O)[C@@H](C)[NH2+]C1CCC(C(N)=O)CC1 ZINC000038091903 174105510 /nfs/dbraw/zinc/10/55/10/174105510.db2.gz SZYSXGABFVJSKT-KPPDAEKUSA-N 1 0 255.362 0.535 10 0 CCAERO CC(C)N(C)C(=O)C[NH2+]C1CCC(C(N)=O)CC1 ZINC000038092013 174105810 /nfs/dbraw/zinc/10/58/10/174105810.db2.gz NOIDAZXWEDEEAG-UHFFFAOYSA-N 1 0 255.362 0.487 10 0 CCAERO COC(=O)N1CCN(C(=O)CC[NH2+]C(C)C)CC1 ZINC000038101851 174118007 /nfs/dbraw/zinc/11/80/07/174118007.db2.gz ZTOHGJKIMFAHQX-UHFFFAOYSA-N 1 0 257.334 0.285 10 0 CCAERO CN(C)c1ncc([C@](O)(C[NH3+])C(F)(F)F)s1 ZINC000039947692 174176082 /nfs/dbraw/zinc/17/60/82/174176082.db2.gz YKIWQWNRIQJGQS-SSDOTTSWSA-N 1 0 255.265 0.918 10 0 CCAERO Cc1n[nH]c(C)c1S(=O)(=O)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749898 174394617 /nfs/dbraw/zinc/39/46/17/174394617.db2.gz SYNHEODTMDHXGV-FGWVZKOKSA-N 1 0 284.385 0.669 10 0 CCAERO NS(=O)(=O)c1ccc(N2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040750530 174395830 /nfs/dbraw/zinc/39/58/30/174395830.db2.gz MSJYUDJBODRFRE-CLYYMRHHSA-N 1 0 281.381 0.793 10 0 CCAERO CN(CC(=O)Nc1nccs1)[C@H](C[NH3+])C(F)(F)F ZINC000662328926 414710680 /nfs/dbraw/zinc/71/06/80/414710680.db2.gz HRWULNCXKXLNOZ-ZCFIWIBFSA-N 1 0 282.291 0.903 10 0 CCAERO O=C(NCc1ccccc1OC(F)F)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000040856639 174424015 /nfs/dbraw/zinc/42/40/15/174424015.db2.gz UFSCFKKTZCEYCS-ZJUUUORDSA-N 1 0 286.278 0.627 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1c(Cl)cnn1C ZINC000662774077 414781288 /nfs/dbraw/zinc/78/12/88/414781288.db2.gz LDANOXZSTIYGSF-IONNQARKSA-N 1 0 256.737 0.944 10 0 CCAERO CN1C[C@@H](CNC(=O)c2ccc3c(c2)C[NH2+]C3)CC1=O ZINC000662695492 414742404 /nfs/dbraw/zinc/74/24/04/414742404.db2.gz NMYSNGBXJVGFCX-SNVBAGLBSA-N 1 0 273.336 0.498 10 0 CCAERO C[C@H]1CCC[C@@H](CNC(=O)C2(C[NH3+])CCOCC2)O1 ZINC000662875411 414861735 /nfs/dbraw/zinc/86/17/35/414861735.db2.gz OXTFBPIMEAMJMT-RYUDHWBXSA-N 1 0 270.373 0.816 10 0 CCAERO CN(C(=O)c1cccc(C(N)=O)c1)[C@H](C[NH3+])C(F)(F)F ZINC000662978213 414931753 /nfs/dbraw/zinc/93/17/53/414931753.db2.gz FQSQKXKGPIBJAF-SECBINFHSA-N 1 0 289.257 0.747 10 0 CCAERO CN(C(=O)c1csnn1)[C@H](C[NH3+])C(F)(F)F ZINC000662977557 414931772 /nfs/dbraw/zinc/93/17/72/414931772.db2.gz LGQGWKYBKBFQLY-RXMQYKEDSA-N 1 0 254.237 0.500 10 0 CCAERO CN(C(=O)c1ccnn1C)[C@H](C[NH3+])C(F)(F)F ZINC000662977727 414932315 /nfs/dbraw/zinc/93/23/15/414932315.db2.gz CAFLSHVTBRCIEC-SSDOTTSWSA-N 1 0 250.224 0.382 10 0 CCAERO CN(C(=O)Cc1cnn(C)c1)[C@@H](C[NH3+])C(F)(F)F ZINC000662984079 414933517 /nfs/dbraw/zinc/93/35/17/414933517.db2.gz MQNORRFUIUKAQW-QMMMGPOBSA-N 1 0 264.251 0.311 10 0 CCAERO C[C@@]1(C(F)F)CN(C(=O)[C@H]2C[NH2+]CCOC2)CCO1 ZINC000663001728 414941202 /nfs/dbraw/zinc/94/12/02/414941202.db2.gz ITKLPXFPFAYONX-CABZTGNLSA-N 1 0 278.299 0.105 10 0 CCAERO C[C@@H]1CN(C(=O)[C@H]2CC[NH2+]C2)C[C@@](C)(C(F)F)O1 ZINC000663001413 414941369 /nfs/dbraw/zinc/94/13/69/414941369.db2.gz TUJFREWCRFDBIJ-PTRXPTGYSA-N 1 0 262.300 0.867 10 0 CCAERO CN1C[C@@H](CNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1=O ZINC000662886310 414868745 /nfs/dbraw/zinc/86/87/45/414868745.db2.gz DHEHZPKKOUEPMU-KCJUWKMLSA-N 1 0 293.289 0.123 10 0 CCAERO C[C@@H](C[NH3+])CN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000042455530 174747104 /nfs/dbraw/zinc/74/71/04/174747104.db2.gz OVOGNOZTUWIWKD-VIFPVBQESA-N 1 0 257.359 0.365 10 0 CCAERO COC[C@@H](O)CN(C)C(=O)c1cccc(C[NH3+])c1 ZINC000042482817 174758961 /nfs/dbraw/zinc/75/89/61/174758961.db2.gz CJCRECXOYFFCLX-LBPRGKRZSA-N 1 0 252.314 0.225 10 0 CCAERO COC[C@@H](O)CN(C)c1nc2ccccn2c1C[NH3+] ZINC000042511829 174764977 /nfs/dbraw/zinc/76/49/77/174764977.db2.gz VQYYDQUGTIVKHP-JTQLQIEISA-N 1 0 264.329 0.237 10 0 CCAERO CN(CCC[NH3+])S(=O)(=O)NCc1cccc(F)c1 ZINC000042525101 174774763 /nfs/dbraw/zinc/77/47/63/174774763.db2.gz HVIWIEAZCQYQSS-UHFFFAOYSA-N 1 0 275.349 0.441 10 0 CCAERO C[NH2+][C@H](C)C(=O)N1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000663006051 414945627 /nfs/dbraw/zinc/94/56/27/414945627.db2.gz SHAQEMPXHKKTHV-RNSXUZJQSA-N 1 0 250.289 0.865 10 0 CCAERO CCC[C@@H]([NH3+])C(=O)N1CCO[C@@](C)(C(F)F)C1 ZINC000663007219 414947158 /nfs/dbraw/zinc/94/71/58/414947158.db2.gz FHGMPVACKVUHJD-LDYMZIIASA-N 1 0 250.289 0.996 10 0 CCAERO C[C@]1(C(F)F)CN(C(=O)[C@H]2CCC[NH2+]C2)CCO1 ZINC000663009267 414947325 /nfs/dbraw/zinc/94/73/25/414947325.db2.gz QBQNNMUIAAPIBJ-JOYOIKCWSA-N 1 0 262.300 0.869 10 0 CCAERO CCS(=O)(=O)C1(C[NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000663363312 415049043 /nfs/dbraw/zinc/04/90/43/415049043.db2.gz IXZNRNGSFWPBLZ-GHMZBOCLSA-N 1 0 261.387 0.847 10 0 CCAERO CNC(=O)CN(C)[C@@H](c1ccccc1F)[C@H](C)[NH3+] ZINC000043043277 174954913 /nfs/dbraw/zinc/95/49/13/174954913.db2.gz STNHTNVCQFFCGE-TVQRCGJNSA-N 1 0 253.321 0.892 10 0 CCAERO Cc1[nH]nc(N)c1C(=O)N(CC[NH+](C)C)CC(C)C ZINC000044416049 175172884 /nfs/dbraw/zinc/17/28/84/175172884.db2.gz YNTULGBGJQYFRJ-UHFFFAOYSA-N 1 0 267.377 0.960 10 0 CCAERO Cn1c2ccc(C[NH2+]CCc3c[nH]cn3)cc2n(C)c1=O ZINC000045946305 175388125 /nfs/dbraw/zinc/38/81/25/175388125.db2.gz ALTHLRNVXMHGAK-UHFFFAOYSA-N 1 0 285.351 0.932 10 0 CCAERO CN(CCN1CC[NH2+]CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000071151228 176044985 /nfs/dbraw/zinc/04/49/85/176044985.db2.gz SBKVJRMKPGJDRO-UHFFFAOYSA-N 1 0 297.424 0.432 10 0 CCAERO CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)c1cccc(N)c1 ZINC000071188152 176063164 /nfs/dbraw/zinc/06/31/64/176063164.db2.gz UPNMXVLSAUXCDR-NSHDSACASA-N 1 0 283.397 0.841 10 0 CCAERO CC(=O)N1CC[NH+](CCCn2ccc(N)n2)CC1 ZINC000071351920 176135136 /nfs/dbraw/zinc/13/51/36/176135136.db2.gz WCUSMBSHSPWIBJ-UHFFFAOYSA-N 1 0 251.334 0.020 10 0 CCAERO [NH3+]CC[C@H](C(=O)NC[C@@H]1CCCO1)c1ccncc1 ZINC000076678178 177057006 /nfs/dbraw/zinc/05/70/06/177057006.db2.gz NQVDNGMVTBXCTH-STQMWFEESA-N 1 0 263.341 0.809 10 0 CCAERO C[NH2+]CCC(=O)OCc1ccc2[nH]c(=O)oc2c1 ZINC000077430525 177266277 /nfs/dbraw/zinc/26/62/77/177266277.db2.gz AAGMJNHUIJWLTO-UHFFFAOYSA-N 1 0 250.254 0.774 10 0 CCAERO CS(=O)(=O)c1cnn(-c2cccnc2C[NH3+])c1 ZINC000725252038 545877588 /nfs/dbraw/zinc/87/75/88/545877588.db2.gz JUESEYZZYWMKNS-UHFFFAOYSA-N 1 0 252.299 0.130 10 0 CCAERO CCC[NH2+][C@@H](CCO)Cn1cc(S(C)(=O)=O)cn1 ZINC000725253201 545878042 /nfs/dbraw/zinc/87/80/42/545878042.db2.gz RFDWVOJFZRWOFZ-JTQLQIEISA-N 1 0 275.374 0.037 10 0 CCAERO CS(=O)(=O)c1cnn([C@H](C[NH3+])c2ccccn2)c1 ZINC000725253406 545878099 /nfs/dbraw/zinc/87/80/99/545878099.db2.gz VBDUYCRZYOELAW-LLVKDONJSA-N 1 0 266.326 0.230 10 0 CCAERO CS(=O)(=O)N1CCC[C@H]([C@]23CC[C@@H]2CC[NH2+]3)C1 ZINC000725263528 545883062 /nfs/dbraw/zinc/88/30/62/545883062.db2.gz NSUYONVYUGAZFA-WOPDTQHZSA-N 1 0 258.387 0.800 10 0 CCAERO CC(C)(C)NC(=O)N[C@H]1CCOC12CC[NH2+]CC2 ZINC000725269203 545886079 /nfs/dbraw/zinc/88/60/79/545886079.db2.gz GAOHDENHTIZAJN-JTQLQIEISA-N 1 0 255.362 0.995 10 0 CCAERO COC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCO[C@]23CCOC3)C1 ZINC000725269156 545886764 /nfs/dbraw/zinc/88/67/64/545886764.db2.gz MSSFNPHMCRCBBR-DYEKYZERSA-N 1 0 269.341 0.819 10 0 CCAERO CC(C)S(=O)(=O)N1C[C@@H](C)OC2(CC[NH2+]CC2)C1 ZINC000725273131 545889028 /nfs/dbraw/zinc/88/90/28/545889028.db2.gz ZIPSBAISUQFISA-LLVKDONJSA-N 1 0 276.402 0.568 10 0 CCAERO CCCNC(=O)N1CCC2(CC1)C[NH2+]C[C@@H](C)O2 ZINC000725273052 545889239 /nfs/dbraw/zinc/88/92/39/545889239.db2.gz YJSPSXUIOWCBBL-LLVKDONJSA-N 1 0 255.362 0.949 10 0 CCAERO C[C@H](Cn1ccnc1)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054291586 544443320 /nfs/dbraw/zinc/44/33/20/544443320.db2.gz WDOYTJNHNABSMP-NEPJUHHUSA-N 1 0 250.346 0.778 10 0 CCAERO COC[C@@H](C)[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696082 544542931 /nfs/dbraw/zinc/54/29/31/544542931.db2.gz IDYUUVPMOUXBSK-MNOVXSKESA-N 1 0 264.391 0.283 10 0 CCAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)CC(=O)N1CCCC1 ZINC000094647490 544545396 /nfs/dbraw/zinc/54/53/96/544545396.db2.gz CPRVBHXLFANIMT-VXGBXAGGSA-N 1 0 267.373 0.455 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)Cc1nccn1C ZINC000094648317 544545446 /nfs/dbraw/zinc/54/54/46/544545446.db2.gz FAVZQFHRMPWCQI-WDEREUQCSA-N 1 0 250.346 0.767 10 0 CCAERO O=C(COC1CC[NH2+]CC1)NC[C@H]1CCC[C@@H]1O ZINC000089169975 544512027 /nfs/dbraw/zinc/51/20/27/544512027.db2.gz OTOZICHHWZFAPS-PWSUYJOCSA-N 1 0 256.346 0.032 10 0 CCAERO Cc1cc(NC(=O)CN(C)C(=O)[C@H]2CCC[C@H]2C[NH3+])no1 ZINC000089456909 544512863 /nfs/dbraw/zinc/51/28/63/544512863.db2.gz IEUPFXXSMVACDD-QWRGUYRKSA-N 1 0 294.355 0.755 10 0 CCAERO CN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000089451235 544513000 /nfs/dbraw/zinc/51/30/00/544513000.db2.gz SCIAUGNXSSKKEU-OUAUKWLOSA-N 1 0 274.386 0.007 10 0 CCAERO C[C@]1(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])CCS(=O)(=O)C1 ZINC000089451823 544513585 /nfs/dbraw/zinc/51/35/85/544513585.db2.gz IQJSYRXHLLNELF-SCVCMEIPSA-N 1 0 274.386 0.055 10 0 CCAERO CCCNC(=O)CCNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089461086 544515096 /nfs/dbraw/zinc/51/50/96/544515096.db2.gz IWNIUPKRVZKLMG-WDEREUQCSA-N 1 0 255.362 0.394 10 0 CCAERO CCc1cc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])n(C)n1 ZINC000090125132 544519450 /nfs/dbraw/zinc/51/94/50/544519450.db2.gz OKGHIIKWGOUJTP-KOLCDFICSA-N 1 0 250.346 0.840 10 0 CCAERO CCOc1cc(NCC(=O)N2CC[NH2+]CC2)nc(C)n1 ZINC000090787802 544523450 /nfs/dbraw/zinc/52/34/50/544523450.db2.gz JWPFIKONJSTRSO-UHFFFAOYSA-N 1 0 279.344 0.027 10 0 CCAERO CN(CC(=O)N1CCCC1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091543158 544527711 /nfs/dbraw/zinc/52/77/11/544527711.db2.gz NFANXHNVAMLNOV-MNOVXSKESA-N 1 0 253.346 0.195 10 0 CCAERO Cc1ccc2[nH]c(N3CC[NH+](CCO)CC3)nc2c1 ZINC000096638756 544551100 /nfs/dbraw/zinc/55/11/00/544551100.db2.gz TYFSNCSLHICKLL-UHFFFAOYSA-N 1 0 260.341 0.986 10 0 CCAERO O=S(=O)(C[C@H](O)C[NH2+]C1CC1)c1ccccc1 ZINC000126469825 544597091 /nfs/dbraw/zinc/59/70/91/544597091.db2.gz AYVZOYSHHCNFCA-LLVKDONJSA-N 1 0 255.339 0.573 10 0 CCAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCCNC(=O)C1CC1 ZINC000157913864 544685833 /nfs/dbraw/zinc/68/58/33/544685833.db2.gz OFDWPDNGUKVRPL-MNOVXSKESA-N 1 0 253.346 0.004 10 0 CCAERO CC(=O)N1CCCN(C(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000136443103 544638489 /nfs/dbraw/zinc/63/84/89/544638489.db2.gz VKDLJDQNHVQDQG-GFCCVEGCSA-N 1 0 255.362 0.441 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000136374889 544639452 /nfs/dbraw/zinc/63/94/52/544639452.db2.gz GEGBUUQQFXMXHL-QWHCGFSZSA-N 1 0 297.399 0.210 10 0 CCAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)CS(=O)(=O)CC)C1 ZINC000165252362 544721103 /nfs/dbraw/zinc/72/11/03/544721103.db2.gz XQPLNMHXWVKZHN-RYUDHWBXSA-N 1 0 278.418 0.120 10 0 CCAERO COC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000167722483 544728486 /nfs/dbraw/zinc/72/84/86/544728486.db2.gz FCLWCPHGQNPBED-SNVBAGLBSA-N 1 0 266.297 0.760 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc(Cl)s1 ZINC000167735908 544728635 /nfs/dbraw/zinc/72/86/35/544728635.db2.gz FBOLJYOFBKLTPQ-NKWVEPMBSA-N 1 0 260.746 0.712 10 0 CCAERO COc1c(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c(C)nn1C ZINC000162957159 544714735 /nfs/dbraw/zinc/71/47/35/544714735.db2.gz ITYHBVJOBOLGLA-GHMZBOCLSA-N 1 0 250.346 0.388 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCCCS(C)(=O)=O ZINC000163300051 544715755 /nfs/dbraw/zinc/71/57/55/544715755.db2.gz LSKIAMQEKGAPEZ-QWHCGFSZSA-N 1 0 274.430 0.980 10 0 CCAERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@H]2CCOC2)CC1 ZINC000182039309 544759475 /nfs/dbraw/zinc/75/94/75/544759475.db2.gz NBRKPGQSOVSJTH-OCCSQVGLSA-N 1 0 299.415 0.510 10 0 CCAERO CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000182567981 544764021 /nfs/dbraw/zinc/76/40/21/544764021.db2.gz VWGVZQNHDSUQTL-CHWSQXEVSA-N 1 0 292.445 0.246 10 0 CCAERO CNC(=O)[C@H]([NH2+]C[C@@H](O)COCc1ccco1)C(C)C ZINC000183684396 544769945 /nfs/dbraw/zinc/76/99/45/544769945.db2.gz WMLSIOZLHUSUFI-DGCLKSJQSA-N 1 0 284.356 0.517 10 0 CCAERO CNC(=O)c1cccc(C[NH2+][C@@H](C(=O)NC)C(C)C)c1 ZINC000183679356 544770026 /nfs/dbraw/zinc/77/00/26/544770026.db2.gz MKKDSZXUVANGEE-CYBMUJFWSA-N 1 0 277.368 0.906 10 0 CCAERO CNC(=O)[C@H]([NH2+]CC(=O)NCc1ccc(C)cc1)C(C)C ZINC000183649032 544770389 /nfs/dbraw/zinc/77/03/89/544770389.db2.gz OLYHDZLOYIVZGK-OAHLLOKOSA-N 1 0 291.395 0.971 10 0 CCAERO C[C@@H](O)CCC[NH2+]C[C@@H](O)COCc1ccco1 ZINC000227720300 544836324 /nfs/dbraw/zinc/83/63/24/544836324.db2.gz YICLRMUWYOHXGF-VXGBXAGGSA-N 1 0 257.330 0.908 10 0 CCAERO [NH3+][C@@H]1CC[C@H](C(=O)N2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000227800577 544837605 /nfs/dbraw/zinc/83/76/05/544837605.db2.gz AHZGKPSAAFJVKN-MJBXVCDLSA-N 1 0 281.400 0.437 10 0 CCAERO CCCCOC[C@H](O)C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000227891270 544838309 /nfs/dbraw/zinc/83/83/09/544838309.db2.gz UKNAFNFIRFKIJD-GXTWGEPZSA-N 1 0 256.390 0.990 10 0 CCAERO CC[C@H](C)NC(=O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000171637651 287604399 /nfs/dbraw/zinc/60/43/99/287604399.db2.gz PMYCEAFVVGJYNS-NWDGAFQWSA-N 1 0 257.378 0.164 10 0 CCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000235303122 544874354 /nfs/dbraw/zinc/87/43/54/544874354.db2.gz IGZYTYBBXWIMTN-FRRDWIJNSA-N 1 0 289.383 0.417 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1CCC(=O)N1C ZINC000248577007 544914128 /nfs/dbraw/zinc/91/41/28/544914128.db2.gz PTMCYNVNKSUZBX-GRYCIOLGSA-N 1 0 265.357 0.302 10 0 CCAERO CCCN(C)c1ccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262100034 544939264 /nfs/dbraw/zinc/93/92/64/544939264.db2.gz DRKYSDMUEUMWLJ-UKRRQHHQSA-N 1 0 291.395 0.843 10 0 CCAERO O=C(Cc1cccc(F)c1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262105365 544940238 /nfs/dbraw/zinc/94/02/38/544940238.db2.gz FAXJCBAIRDNGNI-PWSUYJOCSA-N 1 0 252.289 0.065 10 0 CCAERO Cc1ccc2oc(C(=O)NC[C@H]3C[NH2+]C[C@@H]3O)cc2n1 ZINC000262105263 544940762 /nfs/dbraw/zinc/94/07/62/544940762.db2.gz DZEVZBMDXMPIBU-KOLCDFICSA-N 1 0 275.308 0.446 10 0 CCAERO COc1ccc(OC)c(CNC[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262119068 544941126 /nfs/dbraw/zinc/94/11/26/544941126.db2.gz LSWKMMHLPQXKHP-YPMHNXCESA-N 1 0 266.341 0.374 10 0 CCAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1cnn(-c2ccc(F)cc2)c1 ZINC000262151627 544942246 /nfs/dbraw/zinc/94/22/46/544942246.db2.gz RGTRICAFURJSGB-WFASDCNBSA-N 1 0 290.342 0.681 10 0 CCAERO C[C@H](NC(=O)NCC[C@@H]1CC[NH2+]C1)[C@H]1CCCO1 ZINC000333802151 545043588 /nfs/dbraw/zinc/04/35/88/545043588.db2.gz OGCXSPXOIHGABG-SDDRHHMPSA-N 1 0 255.362 0.853 10 0 CCAERO CC(C)(C)[C@@H](O)C[NH2+]CC(C)(C)NS(C)(=O)=O ZINC000310148155 545010793 /nfs/dbraw/zinc/01/07/93/545010793.db2.gz HFBONXUADGIOGE-VIFPVBQESA-N 1 0 266.407 0.311 10 0 CCAERO CCn1ccc(NC(=O)C(C)(C)N2CC[NH2+]CC2)n1 ZINC000311526511 545012145 /nfs/dbraw/zinc/01/21/45/545012145.db2.gz WZEXRXQBRDOZCN-UHFFFAOYSA-N 1 0 265.361 0.525 10 0 CCAERO Cn1nncc1-c1nc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000329615646 545024468 /nfs/dbraw/zinc/02/44/68/545024468.db2.gz SHDLFYLLLAKEMW-PSASIEDQSA-N 1 0 276.300 0.401 10 0 CCAERO CC(C)[C@@H](C(=O)N[C@@H]1CCCNC1=O)[NH+]1CCCCC1 ZINC000332785490 545033664 /nfs/dbraw/zinc/03/36/64/545033664.db2.gz GLEODMKVFOPNPI-OLZOCXBDSA-N 1 0 281.400 0.892 10 0 CCAERO CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@H]1CCCC[C@H]1O ZINC000332852089 545035001 /nfs/dbraw/zinc/03/50/01/545035001.db2.gz NORIRQLDQDHQOP-MGPQQGTHSA-N 1 0 298.431 0.083 10 0 CCAERO C[C@H](NC(=O)N[C@@H]1CCCC[NH2+]C1)[C@H]1CCCO1 ZINC000333587940 545040615 /nfs/dbraw/zinc/04/06/15/545040615.db2.gz ASOMRJAVTSGLKE-QJPTWQEYSA-N 1 0 255.362 0.995 10 0 CCAERO CC(C)(C)c1nnc(CNC(=O)N2CCC[C@H]([NH3+])C2)[nH]1 ZINC000333642100 545041298 /nfs/dbraw/zinc/04/12/98/545041298.db2.gz UMJHSGXKADNUMC-VIFPVBQESA-N 1 0 280.376 0.735 10 0 CCAERO C[C@@]12C[N@H+](CCN3C(=O)CNC3=O)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333741603 545042480 /nfs/dbraw/zinc/04/24/80/545042480.db2.gz VXHQBNKSJBIDSL-ZAZJYDDPSA-N 1 0 277.368 0.906 10 0 CCAERO CCC[C@@H](C(=O)NC[C@](C)(O)CCOC)[NH+](C)C ZINC000179522229 260053087 /nfs/dbraw/zinc/05/30/87/260053087.db2.gz XERYDWFSRGGDLK-WCQYABFASA-N 1 0 260.378 0.620 10 0 CCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN([C@@H](CC)CO)CC1 ZINC000262515927 287715801 /nfs/dbraw/zinc/71/58/01/287715801.db2.gz CPPJLTRAORXZIW-AVGNSLFASA-N 1 0 271.405 0.275 10 0 CCAERO C[C@@H](C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O)[C@H](C)[NH3+] ZINC000262516758 274197206 /nfs/dbraw/zinc/19/72/06/274197206.db2.gz GPSWGVYMZSLKLA-GBIKHYSHSA-N 1 0 275.352 0.409 10 0 CCAERO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCc2ccc(Cl)cc21 ZINC000262535463 275006665 /nfs/dbraw/zinc/00/66/65/275006665.db2.gz QHCDNOCFWSBWJD-MNOVXSKESA-N 1 0 266.728 0.952 10 0 CCAERO c1nnc2c(N3CCC([C@@H]4CC[NH2+]C4)CC3)nccn12 ZINC000333609375 275077921 /nfs/dbraw/zinc/07/79/21/275077921.db2.gz XTWHINUSDAGJQY-GFCCVEGCSA-N 1 0 272.356 0.950 10 0 CCAERO CC(=O)N1CC[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])C1 ZINC000261857005 275466754 /nfs/dbraw/zinc/46/67/54/275466754.db2.gz QYXMLPVWCNVUQZ-WXHSDQCUSA-N 1 0 267.373 0.441 10 0 CCAERO CC(=O)N1CCC[C@@H](C(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)C1 ZINC000261833253 275763268 /nfs/dbraw/zinc/76/32/68/275763268.db2.gz LCIVDLFPYPFNKQ-CHWSQXEVSA-N 1 0 281.400 0.831 10 0 CCAERO CCC(O)(CC)C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000165499404 276213570 /nfs/dbraw/zinc/21/35/70/276213570.db2.gz JTJGMKCUERURPW-CYBMUJFWSA-N 1 0 256.390 0.944 10 0 CCAERO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H]1CCc2ncnn2C1 ZINC000180579141 276318003 /nfs/dbraw/zinc/31/80/03/276318003.db2.gz IJFFQYHXLPYFJE-NEPJUHHUSA-N 1 0 279.388 0.830 10 0 CCAERO COC(=O)CCCN1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000116395790 277055591 /nfs/dbraw/zinc/05/55/91/277055591.db2.gz RSEPXKYXYSQEFR-NWDGAFQWSA-N 1 0 258.362 0.327 10 0 CCAERO C[N@@H+]1CCO[C@@H]2CN(c3ncc(Br)cn3)C[C@@H]21 ZINC000153156603 277125351 /nfs/dbraw/zinc/12/53/51/277125351.db2.gz CNAQCAOZRZXIAW-VHSXEESVSA-N 1 0 299.172 0.758 10 0 CCAERO COC(=O)[C@H]1C[C@H](OC)CN1CCC[NH+]1CCCC1 ZINC000153700637 277139220 /nfs/dbraw/zinc/13/92/20/277139220.db2.gz JXMSRKNKXUSFFX-QWHCGFSZSA-N 1 0 270.373 0.735 10 0 CCAERO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCC(=O)NC23CCC3)C1 ZINC000334201485 277162043 /nfs/dbraw/zinc/16/20/43/277162043.db2.gz OGGMJJCUOHKVJJ-WDEREUQCSA-N 1 0 265.357 0.256 10 0 CCAERO CO[C@H]1C[C@@H](CO)N(CCC[NH+]2CCCCC2)C1 ZINC000344683474 277348493 /nfs/dbraw/zinc/34/84/93/277348493.db2.gz UXBVJUJBXKTAOJ-KBPBESRZSA-N 1 0 256.390 0.944 10 0 CCAERO C[C@@H]1CCCN1C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000335058666 277699240 /nfs/dbraw/zinc/69/92/40/277699240.db2.gz BJIQSVQRADYBTK-BXUZGUMPSA-N 1 0 265.357 0.352 10 0 CCAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)N(C)C2=O)CN1C1CC1 ZINC000253024497 278029406 /nfs/dbraw/zinc/02/94/06/278029406.db2.gz MKGRUKXLJOWNDY-SCVCMEIPSA-N 1 0 265.357 0.349 10 0 CCAERO C[C@H](C(N)=O)[N@@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245713648 278159425 /nfs/dbraw/zinc/15/94/25/278159425.db2.gz ZWDJZZPYLQRKQH-SCVCMEIPSA-N 1 0 265.357 0.336 10 0 CCAERO CC(=O)N[C@H](C)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000186281398 278165917 /nfs/dbraw/zinc/16/59/17/278165917.db2.gz VVIBVFUKCRPCEY-VXGBXAGGSA-N 1 0 269.389 0.892 10 0 CCAERO C[C@H]1OCC[C@H]1NC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000333600261 278522177 /nfs/dbraw/zinc/52/21/77/278522177.db2.gz PLCJBRUMNJKPDZ-WTPMCQDGSA-N 1 0 253.346 0.543 10 0 CCAERO CC(C)CNC(=O)NC(=O)CN1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000232582239 278911246 /nfs/dbraw/zinc/91/12/46/278911246.db2.gz JTWXUNAKCKPRMW-VXGBXAGGSA-N 1 0 284.404 0.527 10 0 CCAERO CC(C)C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])N1CCOCC1 ZINC000085370884 278987794 /nfs/dbraw/zinc/98/77/94/278987794.db2.gz VHYOXMAVGXYYJO-ZNMIVQPWSA-N 1 0 297.443 0.977 10 0 CCAERO CCN(C)C(=O)C[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000407966055 279017484 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Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CCc2ncnn2C1 ZINC000180579803 279408617 /nfs/dbraw/zinc/40/86/17/279408617.db2.gz YUPGFQQLINHLCI-PWSUYJOCSA-N 1 0 272.356 0.994 10 0 CCAERO C[C@H]1C[C@@H](C(=O)N2CC[NH+](C3CCCC3)CC2)CC(=O)N1 ZINC000408162694 279940587 /nfs/dbraw/zinc/94/05/87/279940587.db2.gz YNNGUONASOLZAD-QWHCGFSZSA-N 1 0 293.411 0.988 10 0 CCAERO CCS(=O)(=O)NCC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248217436 280024247 /nfs/dbraw/zinc/02/42/47/280024247.db2.gz ZWNPAPIPYXGLEL-STQMWFEESA-N 1 0 290.429 0.553 10 0 CCAERO C[C@H]1OCC[C@H]1NC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000333533760 280065710 /nfs/dbraw/zinc/06/57/10/280065710.db2.gz IGTUBXOFTIYFDO-VXGBXAGGSA-N 1 0 267.373 0.949 10 0 CCAERO C[C@H]1OCC[C@H]1NC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000333524302 280065896 /nfs/dbraw/zinc/06/58/96/280065896.db2.gz HAIZUKIXEDBEDC-KKOKHZNYSA-N 1 0 255.362 0.981 10 0 CCAERO CC[C@@H]1CCC[C@@H]1NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333358100 280297996 /nfs/dbraw/zinc/29/79/96/280297996.db2.gz KQPHWGHAEIXWRI-RHYQMDGZSA-N 1 0 255.362 0.539 10 0 CCAERO CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000408382189 280316257 /nfs/dbraw/zinc/31/62/57/280316257.db2.gz PUBIBLJVEOZCFU-ZYHUDNBSSA-N 1 0 267.373 0.583 10 0 CCAERO CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000408091045 280335397 /nfs/dbraw/zinc/33/53/97/280335397.db2.gz NNKILWOUONYXGH-RWMBFGLXSA-N 1 0 281.400 0.973 10 0 CCAERO CC[C@@H]1CN(C(=O)[C@@H]2[C@@H]3CCCO[C@H]23)CC[N@@H+]1C[C@H](C)O ZINC000329362764 280373386 /nfs/dbraw/zinc/37/33/86/280373386.db2.gz ZDYMIKCNEYEHSX-ZQNQSHIBSA-N 1 0 296.411 0.715 10 0 CCAERO CC[C@H]1CN(CCC(=O)OC)CC[N@@H+]1C[C@H](C)O ZINC000247098079 281166063 /nfs/dbraw/zinc/16/60/63/281166063.db2.gz IABNMROTQQXIRN-RYUDHWBXSA-N 1 0 258.362 0.327 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000329526568 288310631 /nfs/dbraw/zinc/31/06/31/288310631.db2.gz HOXFVOGYWBKMIA-UTUOFQBUSA-N 1 0 286.397 0.116 10 0 CCAERO C[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000333640921 288317587 /nfs/dbraw/zinc/31/75/87/288317587.db2.gz UJIYUQQNIHFOFJ-RAIGVLPGSA-N 1 0 267.373 0.947 10 0 CCAERO CN(C(=O)NC1CCC(F)(F)CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333629810 281758576 /nfs/dbraw/zinc/75/85/76/281758576.db2.gz SNMZFZLOPNIVHP-UWVGGRQHSA-N 1 0 277.315 0.538 10 0 CCAERO Cc1nc2c(cnn2C)c(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)n1 ZINC000329895096 282018892 /nfs/dbraw/zinc/01/88/92/282018892.db2.gz BUNKSUSRZGPIFU-NEPJUHHUSA-N 1 0 288.355 0.191 10 0 CCAERO C[C@H](C(=O)N(C)C)[N@@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000246340275 289242373 /nfs/dbraw/zinc/24/23/73/289242373.db2.gz URRIWDZTVKNACI-HUUCEWRRSA-N 1 0 296.459 0.565 10 0 CCAERO C[C@H]([NH2+]CC(=O)Nc1nncs1)[C@H]1CCCO1 ZINC000183161707 289943280 /nfs/dbraw/zinc/94/32/80/289943280.db2.gz SGNMAKXBTNZIIC-JGVFFNPUSA-N 1 0 256.331 0.634 10 0 CCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCO[C@@H](C)C2)C[C@@H]1C ZINC000408211161 290099507 /nfs/dbraw/zinc/09/95/07/290099507.db2.gz MYLQWGOCRKDHEA-XDQVBPFNSA-N 1 0 299.415 0.650 10 0 CCAERO C[C@H]1CCCCN1S(=O)(=O)c1cc[nH+]c(NN)c1 ZINC000038008883 290396406 /nfs/dbraw/zinc/39/64/06/290396406.db2.gz TWNLIZYHEPYPJM-VIFPVBQESA-N 1 0 270.358 0.930 10 0 CCAERO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(CCO)C2)C1 ZINC000384554616 545085249 /nfs/dbraw/zinc/08/52/49/545085249.db2.gz IWBFWHRCJCQYEZ-MELADBBJSA-N 1 0 256.390 0.990 10 0 CCAERO NC(=O)NC(=O)CCCN1CCC([NH+]2CCCC2)CC1 ZINC000170928176 295067403 /nfs/dbraw/zinc/06/74/03/295067403.db2.gz CVMUFRGCDAXJDZ-UHFFFAOYSA-N 1 0 282.388 0.522 10 0 CCAERO NC(=O)[C@H]1CCCCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089455317 295271418 /nfs/dbraw/zinc/27/14/18/295271418.db2.gz LJCNWMFFRYHVFY-GMTAPVOTSA-N 1 0 253.346 0.228 10 0 CCAERO O[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H](N3CCOCC3)C2)C1 ZINC000388927535 545086470 /nfs/dbraw/zinc/08/64/70/545086470.db2.gz LEZZZIRFPQXNGL-RRFJBIMHSA-N 1 0 268.401 0.944 10 0 CCAERO C[C@@H](Cn1ccnc1)[NH2+]CC(=O)NCC(F)(F)F 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CN(C)c1ccc(C(=O)NC[C@H]2C[NH2+]CCO2)cc1 ZINC000036284961 329506347 /nfs/dbraw/zinc/50/63/47/329506347.db2.gz IPTTYEAKYZJAPH-CYBMUJFWSA-N 1 0 263.341 0.471 10 0 CCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CCOC[C@@H]1CCCO1 ZINC000577573573 335370932 /nfs/dbraw/zinc/37/09/32/335370932.db2.gz HYZXNTRUQAQJMY-SDDRHHMPSA-N 1 0 256.346 0.439 10 0 CCAERO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000384954968 336135051 /nfs/dbraw/zinc/13/50/51/336135051.db2.gz VUPFUGMFVWQBKI-UTLUCORTSA-N 1 0 257.334 0.066 10 0 CCAERO CC(C)C[NH2+]C[C@H]1CC[C@H](CN2CCS(=O)CC2)O1 ZINC000052516480 519746351 /nfs/dbraw/zinc/74/63/51/519746351.db2.gz GXWMBNGOCVIMGF-ZIAGYGMSSA-N 1 0 288.457 0.844 10 0 CCAERO CC(C)[C@H](CN(C)C)[NH2+]C[C@@H](O)COCC1CC1 ZINC000049204384 519814495 /nfs/dbraw/zinc/81/44/95/519814495.db2.gz HTJDYLNJFLZKLS-KGLIPLIRSA-N 1 0 258.406 0.950 10 0 CCAERO CCC[NH2+][C@@H](CCN1C[C@H](C)OC(C)(C)C1)C(N)=O ZINC000062527767 520002265 /nfs/dbraw/zinc/00/22/65/520002265.db2.gz TUBWSHKPDCSEQH-RYUDHWBXSA-N 1 0 271.405 0.729 10 0 CCAERO CC[NH2+][C@@H](COc1cccc(OCC)c1)C(N)=O ZINC000051847534 520101721 /nfs/dbraw/zinc/10/17/21/520101721.db2.gz SKSHCFRBPKGBCZ-LBPRGKRZSA-N 1 0 252.314 0.928 10 0 CCAERO CCN(CC)CC[NH2+][C@@H](C(N)=O)C1CCOCC1 ZINC000052178847 520687545 /nfs/dbraw/zinc/68/75/45/520687545.db2.gz TZPVCYFMKDIYLB-GFCCVEGCSA-N 1 0 257.378 0.198 10 0 CCAERO CCC(CC)[C@@H](C[NH3+])N1CCN(S(C)(=O)=O)CC1 ZINC000062082416 521603277 /nfs/dbraw/zinc/60/32/77/521603277.db2.gz HMUKTCMIISONEM-GFCCVEGCSA-N 1 0 277.434 0.327 10 0 CCAERO C[C@H](NC(=O)c1cccs1)C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000423939840 533765631 /nfs/dbraw/zinc/76/56/31/533765631.db2.gz BDDDNZFCDBGWCF-UTLUCORTSA-N 1 0 281.381 0.672 10 0 CCAERO CC[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc(N)c2)C1 ZINC000344546516 535770627 /nfs/dbraw/zinc/77/06/27/535770627.db2.gz TXZDIWIXNFBSIX-NSHDSACASA-N 1 0 269.370 0.641 10 0 CCAERO C[C@@H]1CN(C(=O)CCNC(=O)c2cccs2)C[C@H]1[NH3+] ZINC000423944297 534302693 /nfs/dbraw/zinc/30/26/93/534302693.db2.gz GYVVDTKEMZBXHN-NXEZZACHSA-N 1 0 281.381 0.674 10 0 CCAERO C[C@@H]1CN(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)C[C@H]1CO ZINC000190993429 534312118 /nfs/dbraw/zinc/31/21/18/534312118.db2.gz REGAMCOOTBQJRE-MJBXVCDLSA-N 1 0 283.416 0.988 10 0 CCAERO CC(C)(C)[NH+]1CCC(NC(=O)c2n[nH]cc2N)CC1 ZINC000062811062 518709478 /nfs/dbraw/zinc/70/94/78/518709478.db2.gz VKVHKJXBZIFIQN-UHFFFAOYSA-N 1 0 265.361 0.985 10 0 CCAERO CC(C)CCNC(=O)CN1CCN(CCC[NH3+])CC1 ZINC000049283835 519656051 /nfs/dbraw/zinc/65/60/51/519656051.db2.gz WGJCZRDHWKQLCO-UHFFFAOYSA-N 1 0 270.421 0.115 10 0 CCAERO CC(C)[NH2+]Cc1nccn1CC(=O)N1CCOCC1 ZINC000051014811 519728927 /nfs/dbraw/zinc/72/89/27/519728927.db2.gz NTNSLVXDJCXWSS-UHFFFAOYSA-N 1 0 266.345 0.240 10 0 CCAERO CC(C)[NH2+]Cc1nccn1CCN1CCOCC1 ZINC000051005566 519729017 /nfs/dbraw/zinc/72/90/17/519729017.db2.gz IWDUMPDNCLUINX-UHFFFAOYSA-N 1 0 252.362 0.713 10 0 CCAERO CCN[C@@H](CN1CCC[C@@H]1C[NH+](C)C)C(=O)OC ZINC000061652919 520097624 /nfs/dbraw/zinc/09/76/24/520097624.db2.gz DURALUHCIBLXKL-NEPJUHHUSA-N 1 0 257.378 0.164 10 0 CCAERO CC[NH2+][C@H](C)CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000061268966 520170712 /nfs/dbraw/zinc/17/07/12/520170712.db2.gz UAVZTMCMHRYUFI-SECBINFHSA-N 1 0 285.369 0.661 10 0 CCAERO CCN(CC(=O)N(C)C)C(=O)[C@@H]1C[C@H]([NH3+])CC[C@@H]1C ZINC000055128518 520301108 /nfs/dbraw/zinc/30/11/08/520301108.db2.gz WSJWVHIQOMJQSA-QJPTWQEYSA-N 1 0 269.389 0.687 10 0 CCAERO CC1(C)CCN(S(=O)(=O)CCN2CC[NH2+]CC2)CC1 ZINC000061823067 520380455 /nfs/dbraw/zinc/38/04/55/520380455.db2.gz NMGRUKWUWDLCIX-UHFFFAOYSA-N 1 0 289.445 0.343 10 0 CCAERO CCN(CC)C(=O)[C@@H](C)NC(=O)[C@@]1(CC)CC[NH2+]C1 ZINC000062891618 520520763 /nfs/dbraw/zinc/52/07/63/520520763.db2.gz LRZCYWCPZMPTMC-RISCZKNCSA-N 1 0 269.389 0.749 10 0 CCAERO CCC[C@@H]([NH3+])C(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000182105286 520714713 /nfs/dbraw/zinc/71/47/13/520714713.db2.gz GPJAYWIABSUWEC-WDEREUQCSA-N 1 0 256.346 0.725 10 0 CCAERO CCCCOCCOC[C@H](O)C[NH2+]CCN(C)CC ZINC000054112006 520789196 /nfs/dbraw/zinc/78/91/96/520789196.db2.gz LULAAUCROLISGU-CQSZACIVSA-N 1 0 276.421 0.722 10 0 CCAERO CCC[C@H](C)[NH2+]C[C@H](C)N1CCS(=O)(=O)CC1 ZINC000053491575 521060699 /nfs/dbraw/zinc/06/06/99/521060699.db2.gz VVNVVYNZMSICPS-RYUDHWBXSA-N 1 0 262.419 0.884 10 0 CCAERO CCCn1ccnc(N2CCC[C@H]([NH2+]C)C2)c1=O ZINC000061768340 521660071 /nfs/dbraw/zinc/66/00/71/521660071.db2.gz MADSZDAQXJFHBA-NSHDSACASA-N 1 0 250.346 0.842 10 0 CCAERO CCC1(C(=O)N[C@H]2CCCCNC2=O)CC[NH2+]CC1 ZINC000062848574 521670986 /nfs/dbraw/zinc/67/09/86/521670986.db2.gz PKHNSCYIVBMUOG-NSHDSACASA-N 1 0 267.373 0.551 10 0 CCAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cccc(O)c2)CCO1 ZINC000182460466 521853543 /nfs/dbraw/zinc/85/35/43/521853543.db2.gz QDJQJMAEICFPTG-CYBMUJFWSA-N 1 0 264.325 0.795 10 0 CCAERO C[NH2+]CCS(=O)(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000049630002 522017088 /nfs/dbraw/zinc/01/70/88/522017088.db2.gz HCNWFLPTDKVEHY-UHFFFAOYSA-N 1 0 292.382 0.051 10 0 CCAERO COC(=O)c1ccc(N2CCC[C@H](C)[C@H]2C[NH3+])nn1 ZINC000070178568 522078770 /nfs/dbraw/zinc/07/87/70/522078770.db2.gz BEUNJCVXSHATDA-GXSJLCMTSA-N 1 0 264.329 0.827 10 0 CCAERO CC[C@@H]([NH3+])Cc1nccn1CCS(=O)(=O)CC ZINC000062803160 522647112 /nfs/dbraw/zinc/64/71/12/522647112.db2.gz LEHROUSSNFPHFS-SNVBAGLBSA-N 1 0 259.375 0.598 10 0 CCAERO CNc1cccc(C(=O)NCC[N@H+](C)CCOC)n1 ZINC000061401111 522651522 /nfs/dbraw/zinc/65/15/22/522651522.db2.gz UKJCMLPTUYDJND-UHFFFAOYSA-N 1 0 266.345 0.431 10 0 CCAERO CN(CCc1ccncc1)C(=O)CN1CCC[NH2+]CC1 ZINC000061271419 522975448 /nfs/dbraw/zinc/97/54/48/522975448.db2.gz UGMROJOHBHPHCC-UHFFFAOYSA-N 1 0 276.384 0.378 10 0 CCAERO O=C(C[C@@H]1CCCCO1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000367191275 534689160 /nfs/dbraw/zinc/68/91/60/534689160.db2.gz KSSYJSNEVFFUTE-TUAOUCFPSA-N 1 0 254.330 0.145 10 0 CCAERO COC(=O)CNC(=O)CC[NH2+][C@@H](C)c1ccc(C)o1 ZINC000182591173 523189727 /nfs/dbraw/zinc/18/97/27/523189727.db2.gz DECCGYQKNNLJGY-JTQLQIEISA-N 1 0 268.313 0.918 10 0 CCAERO COCC[N@H+](C)CCNc1ncccc1C(N)=O ZINC000061379741 523617434 /nfs/dbraw/zinc/61/74/34/523617434.db2.gz QBGKTIXSUCZUIG-UHFFFAOYSA-N 1 0 252.318 0.171 10 0 CCAERO CN(c1ccc(C[NH3+])cc1)c1cncc2nnnn21 ZINC000061950738 523637310 /nfs/dbraw/zinc/63/73/10/523637310.db2.gz KUNOUJVLBFSKAD-UHFFFAOYSA-N 1 0 255.285 0.746 10 0 CCAERO CN(C(=O)C[C@H]1CCC[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC000054290996 523846712 /nfs/dbraw/zinc/84/67/12/523846712.db2.gz CAYMTORFFZRDTP-GHMZBOCLSA-N 1 0 274.386 0.022 10 0 CCAERO C[N@@H+]1CC[C@H](CNCC(=O)NCC(F)(F)F)C1 ZINC000049309788 523980915 /nfs/dbraw/zinc/98/09/15/523980915.db2.gz OVAQIQLVTIHKDG-MRVPVSSYSA-N 1 0 253.268 0.206 10 0 CCAERO CO[C@H]1CCC[C@H]1[NH2+]CC(=O)NC1CCOCC1 ZINC000062768822 523987531 /nfs/dbraw/zinc/98/75/31/523987531.db2.gz YKZNHFWUOQFRTG-NEPJUHHUSA-N 1 0 256.346 0.439 10 0 CCAERO COCCOCCNC(=O)[C@@H]1CC[C@H](C)[C@@H]([NH3+])C1 ZINC000055137831 524007853 /nfs/dbraw/zinc/00/78/53/524007853.db2.gz JFAKPMZVEQMXHB-TUAOUCFPSA-N 1 0 258.362 0.529 10 0 CCAERO C[C@@H](C(=O)N[C@@H](C)C(=O)N1CCCCC1)C1C[NH2+]C1 ZINC000164137675 524220197 /nfs/dbraw/zinc/22/01/97/524220197.db2.gz ZBFARFXBYAAPGX-MNOVXSKESA-N 1 0 267.373 0.359 10 0 CCAERO C[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2COCCO2)[C@@H]1[NH3+] ZINC000055132819 524266824 /nfs/dbraw/zinc/26/68/24/524266824.db2.gz MWYNGDHZKIDAMP-DDHJBXDOSA-N 1 0 256.346 0.282 10 0 CCAERO C[C@H]1CC[C@@H](CNS(=O)(=O)C[C@@H]2CCCO2)C[NH2+]1 ZINC000063155826 524357235 /nfs/dbraw/zinc/35/72/35/524357235.db2.gz PHISJFPQDPFPLN-TUAOUCFPSA-N 1 0 276.402 0.473 10 0 CCAERO C[C@H]1CC[C@H](C(=O)N[C@@H]2CCCNC2=O)C[C@@H]1[NH3+] ZINC000055131404 524384891 /nfs/dbraw/zinc/38/48/91/524384891.db2.gz RHQPRCHDTPNCIM-XWLWVQCSSA-N 1 0 253.346 0.145 10 0 CCAERO C[C@H](CNC(=O)Cn1ccc(N)n1)C[NH+]1CCCC1 ZINC000062082709 524391528 /nfs/dbraw/zinc/39/15/28/524391528.db2.gz SBSSWQFSNMZUDH-LLVKDONJSA-N 1 0 265.361 0.313 10 0 CCAERO C[C@@H](CN1CCCCC1)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC000049501533 524607431 /nfs/dbraw/zinc/60/74/31/524607431.db2.gz QMXBXWIVYOWMRB-UWVGGRQHSA-N 1 0 256.350 0.034 10 0 CCAERO C[C@H]([NH2+]CC(=O)NCc1cccnc1)[C@@H]1CCCO1 ZINC000183123812 525308557 /nfs/dbraw/zinc/30/85/57/525308557.db2.gz UDKROSCJSDZBAT-AAEUAGOBSA-N 1 0 263.341 0.855 10 0 CCAERO C[C@H](NS(=O)(=O)C[C@@H]1CCCC[NH2+]1)[C@H]1CCCO1 ZINC000049631100 525499873 /nfs/dbraw/zinc/49/98/73/525499873.db2.gz DSMCAIUIXRMOAZ-SDDRHHMPSA-N 1 0 276.402 0.615 10 0 CCAERO CC(=O)c1ccccc1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262401850 534913594 /nfs/dbraw/zinc/91/35/94/534913594.db2.gz YQJJOONIMPMVNB-MFKMUULPSA-N 1 0 262.309 0.199 10 0 CCAERO O=C(CC[N@H+]1C[C@H](O)C[C@@H]1CO)Nc1cccc(F)c1 ZINC000184725256 526496475 /nfs/dbraw/zinc/49/64/75/526496475.db2.gz QOVJHBLSWCOAPE-CHWSQXEVSA-N 1 0 282.315 0.582 10 0 CCAERO CC(=O)NC1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000190286550 526707072 /nfs/dbraw/zinc/70/70/72/526707072.db2.gz NZYKVOALSKUTSW-UHFFFAOYSA-N 1 0 296.415 0.637 10 0 CCAERO NC(=[NH2+])c1c(F)cccc1N1CCN(CCO)CC1 ZINC000062714764 526819652 /nfs/dbraw/zinc/81/96/52/526819652.db2.gz CCTVGEMOJMHMGU-UHFFFAOYSA-N 1 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GUZAACFRMAJVET-JTQLQIEISA-N 1 0 266.370 0.574 10 0 CCAERO CO[C@@H]1C[N@H+](Cc2ccn(C)c2)C[C@H]1c1c[nH]nn1 ZINC000668576967 545182475 /nfs/dbraw/zinc/18/24/75/545182475.db2.gz KWWXSNZGWISMSZ-WCQYABFASA-N 1 0 261.329 0.758 10 0 CCAERO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]C2CC(CO)C2)C1 ZINC000668780607 545190551 /nfs/dbraw/zinc/19/05/51/545190551.db2.gz UMTQULXZPDEBKC-RSJDFQLWSA-N 1 0 261.387 0.703 10 0 CCAERO CC(C)(C)c1cc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)no1 ZINC000262400515 535103666 /nfs/dbraw/zinc/10/36/66/535103666.db2.gz YNQPOHXJSMIDNN-WCBMZHEXSA-N 1 0 267.329 0.282 10 0 CCAERO CC(C)n1nnnc1CN1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000407949597 535168890 /nfs/dbraw/zinc/16/88/90/535168890.db2.gz SYYOTMRVDZDXMC-MNOVXSKESA-N 1 0 252.366 0.636 10 0 CCAERO CC(C)[NH+]1CCN(c2cc(C(N)=O)ccc2N)CC1 ZINC000103960034 535201966 /nfs/dbraw/zinc/20/19/66/535201966.db2.gz VDLHHCNJHRAHJF-UHFFFAOYSA-N 1 0 262.357 0.898 10 0 CCAERO CC(C)(C)OC(=O)N1CC2(C1)CC(=O)O[C@@H]2C[NH3+] ZINC000675052611 545320350 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Cc1nc2ccccc2n1CC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262293258 137035824 /nfs/dbraw/zinc/03/58/24/137035824.db2.gz OWRBNWSDQFBWHJ-FZMZJTMJSA-N 1 0 288.351 0.041 10 0 CCAERO C[C@@H]1CC[C@H](CCC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)O1 ZINC000262325161 137037900 /nfs/dbraw/zinc/03/79/00/137037900.db2.gz RSHSLRAGDZJJON-WRWGMCAJSA-N 1 0 256.346 0.031 10 0 CCAERO COc1cc(CNC[C@@H]2C[NH2+]C[C@@H]2O)ccc1C ZINC000263267899 137062260 /nfs/dbraw/zinc/06/22/60/137062260.db2.gz RUTKPLOTRIBGAZ-OLZOCXBDSA-N 1 0 250.342 0.674 10 0 CCAERO COC[C@@H]([NH3+])C(=O)N(C)Cc1ccc(OC)cc1OC ZINC000263277366 137062653 /nfs/dbraw/zinc/06/26/53/137062653.db2.gz YUBRCVJUUQBJIR-GFCCVEGCSA-N 1 0 282.340 0.636 10 0 CCAERO COC(=O)[C@H](CNC(=O)C1C[NH2+]C1)Cc1cccc(C)c1 ZINC000263277417 137062671 /nfs/dbraw/zinc/06/26/71/137062671.db2.gz JBTCBWJMVACSNR-ZDUSSCGKSA-N 1 0 290.363 0.662 10 0 CCAERO Cc1ccc(N2CC[C@@H](NC(=O)C3C[NH2+]C3)C2=O)cc1 ZINC000263292789 137063190 /nfs/dbraw/zinc/06/31/90/137063190.db2.gz LVCUOSMAIKYBCJ-CYBMUJFWSA-N 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CCAERO CC[C@](C)(O)CN1CC[NH+](C[C@@](C)(O)CC)CC1 ZINC000060237015 348641543 /nfs/dbraw/zinc/64/15/43/348641543.db2.gz KMOYFZCVEYNLBT-KBPBESRZSA-N 1 0 258.406 0.926 10 0 CCAERO [NH3+]CCNC(=O)[C@H]1CCCN(c2ncnc3c2CCC3)C1 ZINC000063180860 348682241 /nfs/dbraw/zinc/68/22/41/348682241.db2.gz ZHUXXCRERTZEPK-NSHDSACASA-N 1 0 289.383 0.257 10 0 CCAERO c1cnc(-c2n[nH]c(C3CCN([C@H]4CC[NH2+]C4)CC3)n2)cn1 ZINC000065287283 348709784 /nfs/dbraw/zinc/70/97/84/348709784.db2.gz GGJQOWLYUWRELR-LBPRGKRZSA-N 1 0 299.382 0.803 10 0 CCAERO COc1ccccc1N1CCN(CCNC(N)=[NH2+])CC1 ZINC000071628307 348910440 /nfs/dbraw/zinc/91/04/40/348910440.db2.gz BUUIFCYISQUBLH-UHFFFAOYSA-N 1 0 277.372 0.300 10 0 CCAERO CC(C)(C)OC(=O)N1CCN(Cc2n[nH]c(C[NH3+])n2)CC1 ZINC000072236523 348917109 /nfs/dbraw/zinc/91/71/09/348917109.db2.gz PLPKTHYDVKHATH-UHFFFAOYSA-N 1 0 296.375 0.316 10 0 CCAERO CC(=O)N[C@@H](C)C(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000073972334 348967351 /nfs/dbraw/zinc/96/73/51/348967351.db2.gz MNMOXPHJZDPQGM-NSHDSACASA-N 1 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Cc1nccc(CN2CC[C@H]([N@H+](C)CCO)[C@H]2C)n1 ZINC000353600278 356257565 /nfs/dbraw/zinc/25/75/65/356257565.db2.gz YJHBMYYRMXGOKZ-RISCZKNCSA-N 1 0 264.373 0.672 10 0 CCAERO Cc1cnn(CCNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000175039940 188930041 /nfs/dbraw/zinc/93/00/41/188930041.db2.gz SZUPFMMKLPQAQL-AWEZNQCLSA-N 1 0 289.383 0.847 10 0 CCAERO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CCc3n[nH]nc3C2)C1 ZINC000328767346 202047182 /nfs/dbraw/zinc/04/71/82/202047182.db2.gz HQKALWZPDUXTIF-VXGBXAGGSA-N 1 0 291.399 0.852 10 0 CCAERO O=C([C@@H]1CCc2n[nH]nc2C1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000328800567 202063574 /nfs/dbraw/zinc/06/35/74/202063574.db2.gz YNFVVILWXRSLNQ-NEPJUHHUSA-N 1 0 289.383 0.606 10 0 CCAERO CNC(=O)NCC(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000185423215 290507880 /nfs/dbraw/zinc/50/78/80/290507880.db2.gz JEFHSUPWXDAFCF-NSHDSACASA-N 1 0 270.377 0.296 10 0 CCAERO CN1C[C@H](C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)CC1=O ZINC000186523261 283225125 /nfs/dbraw/zinc/22/51/25/283225125.db2.gz SFIQKZAIGIFNNQ-GHMZBOCLSA-N 1 0 265.357 0.208 10 0 CCAERO Cc1c[nH]nc1CN1CCN([C@H]2CCCCNC2=O)CC1 ZINC000378127998 357649822 /nfs/dbraw/zinc/64/98/22/357649822.db2.gz HJQGFNZGIDUZEW-AWEZNQCLSA-N 1 0 291.399 0.504 10 0 CCAERO CCn1cc(C[NH2+][C@H]2CCCN(CCO)C2)cn1 ZINC000384371569 357720952 /nfs/dbraw/zinc/72/09/52/357720952.db2.gz KQONLOZORGNRHE-ZDUSSCGKSA-N 1 0 252.362 0.449 10 0 CCAERO CC[N@@H+]1CC[C@H](Nc2ncncc2C(=O)OC)C1 ZINC000389090062 357736144 /nfs/dbraw/zinc/73/61/44/357736144.db2.gz ABPLHWCHTCPKMN-VIFPVBQESA-N 1 0 250.302 0.769 10 0 CCAERO CCCCOC[C@H](O)C[NH2+][C@H]1CC(=O)N(CC)C1 ZINC000391634192 357746962 /nfs/dbraw/zinc/74/69/62/357746962.db2.gz NHYXVPXJTTXISI-NWDGAFQWSA-N 1 0 258.362 0.374 10 0 CCAERO COC(=O)C(C)(C)CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000394167185 357754685 /nfs/dbraw/zinc/75/46/85/357754685.db2.gz ZVEKXLCHMZCNSR-VHSXEESVSA-N 1 0 256.346 0.677 10 0 CCAERO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C)[C@@H]1CO ZINC000408002575 357861299 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CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]C1CCOCC1 ZINC000408068786 357900830 /nfs/dbraw/zinc/90/08/30/357900830.db2.gz BEAQAVAVEYXKRN-NEPJUHHUSA-N 1 0 276.402 0.615 10 0 CCAERO CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](O)C1 ZINC000408091350 357914995 /nfs/dbraw/zinc/91/49/95/357914995.db2.gz OILDXCSCNDVUJE-GARJFASQSA-N 1 0 271.361 0.312 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)C2(C(=O)N(C)C)CC2)C1 ZINC000408145066 357939481 /nfs/dbraw/zinc/93/94/81/357939481.db2.gz FQVIMLVGXHVUHR-NSHDSACASA-N 1 0 267.373 0.455 10 0 CCAERO CN(C)c1cnc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000408153144 357943243 /nfs/dbraw/zinc/94/32/43/357943243.db2.gz ITCQKUUDHZXTFV-LLVKDONJSA-N 1 0 275.356 0.463 10 0 CCAERO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)NC1CCCC1 ZINC000408204524 357969254 /nfs/dbraw/zinc/96/92/54/357969254.db2.gz HISJZFWQJISTRB-GFCCVEGCSA-N 1 0 275.418 0.789 10 0 CCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@]2(C)CCOC2)C[C@H]1C ZINC000408210459 357973395 /nfs/dbraw/zinc/97/33/95/357973395.db2.gz HRYFIYDECXMMEO-VNHYZAJKSA-N 1 0 299.415 0.510 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@@H](CCO)C2)C1 ZINC000408250710 357992886 /nfs/dbraw/zinc/99/28/86/357992886.db2.gz QCFRQRPFKKWMHT-QWHCGFSZSA-N 1 0 269.389 0.885 10 0 CCAERO CCOc1nccnc1NCCCN1CC[NH2+]CC1 ZINC000561260705 291124640 /nfs/dbraw/zinc/12/46/40/291124640.db2.gz GJFJFUFDOQOKQB-UHFFFAOYSA-N 1 0 265.361 0.583 10 0 CCAERO CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[S@@](=O)C2)C1 ZINC000408309675 358026495 /nfs/dbraw/zinc/02/64/95/358026495.db2.gz NTXSNPJKYMAWCV-SYTFOFBDSA-N 1 0 287.429 0.491 10 0 CCAERO C[C@@H]1OCC[C@H]1[N@H+](CCO)CC1CCS(=O)(=O)CC1 ZINC000408349179 358045602 /nfs/dbraw/zinc/04/56/02/358045602.db2.gz NEUVOCVWRSQDLV-WCQYABFASA-N 1 0 291.413 0.283 10 0 CCAERO C[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](C(N)=O)C1 ZINC000408374901 358060456 /nfs/dbraw/zinc/06/04/56/358060456.db2.gz JCUZAMWKTQHIBS-MRVWCRGKSA-N 1 0 293.411 0.973 10 0 CCAERO CNC(=O)CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245630412 283323622 /nfs/dbraw/zinc/32/36/22/283323622.db2.gz HPBCYRZRKWEVFE-OCCSQVGLSA-N 1 0 290.367 0.477 10 0 CCAERO CC(C)[C@@H](NC(=O)[C@@H]1CCCN1C)C(=O)N1CCOCC1 ZINC000408416955 358082283 /nfs/dbraw/zinc/08/22/83/358082283.db2.gz PMYWJVBEBDQTMM-QWHCGFSZSA-N 1 0 297.399 0.080 10 0 CCAERO C[C@@H]1CCCC[N@@H+]1CCC(=O)N1C[C@H](O)C[C@H]1CO ZINC000408458570 358105764 /nfs/dbraw/zinc/10/57/64/358105764.db2.gz ULYQEFSRGZVCST-FRRDWIJNSA-N 1 0 270.373 0.205 10 0 CCAERO CCNC(=O)NC(=O)[C@@H](C)N1[C@H](C)C[N@@H+](CC)C[C@@H]1C ZINC000408464744 358107780 /nfs/dbraw/zinc/10/77/80/358107780.db2.gz HETXYQOWPWIUHR-GRYCIOLGSA-N 1 0 284.404 0.635 10 0 CCAERO CCOC[C@H]1CN(C(=O)C[NH3+])C[C@@H]1C(F)(F)F ZINC000409435791 358113172 /nfs/dbraw/zinc/11/31/72/358113172.db2.gz WOILCNDJMIUUGX-SFYZADRCSA-N 1 0 254.252 0.619 10 0 CCAERO C[C@H](C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1)CS(C)(=O)=O ZINC000425529433 358215834 /nfs/dbraw/zinc/21/58/34/358215834.db2.gz WLONVLLKGHNWQZ-VOAKCMCISA-N 1 0 275.414 0.760 10 0 CCAERO CC(C)(C(=O)N1CC[C@@H]2OCC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000567926142 358614831 /nfs/dbraw/zinc/61/48/31/358614831.db2.gz DEEHSWQPNBVYLK-OLZOCXBDSA-N 1 0 281.400 0.308 10 0 CCAERO COCC1(CC(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000569812175 358795166 /nfs/dbraw/zinc/79/51/66/358795166.db2.gz BYHRICNDXQZRBL-WDEREUQCSA-N 1 0 254.330 0.002 10 0 CCAERO NC(=O)c1ccc([C@@H]2C[NH2+]CCOC2)c2cc[nH]c21 ZINC000584619395 359181436 /nfs/dbraw/zinc/18/14/36/359181436.db2.gz NAKYDNFGGDTDKB-SECBINFHSA-N 1 0 259.309 0.970 10 0 CCAERO CC(C)(C)OC(=O)N1CC[C@]2(CNC(=O)[C@@H]2[NH3+])C1 ZINC000584883151 359222756 /nfs/dbraw/zinc/22/27/56/359222756.db2.gz CVQZWIDYQWRUOM-UFBFGSQYSA-N 1 0 255.318 0.071 10 0 CCAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCN(C2CC2)CC1 ZINC000334954687 291190046 /nfs/dbraw/zinc/19/00/46/291190046.db2.gz CXFCEVRQJCMCFX-YPMHNXCESA-N 1 0 266.389 0.617 10 0 CCAERO O=C([C@@H]1CCC(=O)N1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186551596 296004583 /nfs/dbraw/zinc/00/45/83/296004583.db2.gz NGRFWVTYVIQXAE-KOLCDFICSA-N 1 0 251.330 0.008 10 0 CCAERO COC(=O)[C@H]1CCCCN1C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000592559744 359888826 /nfs/dbraw/zinc/88/88/26/359888826.db2.gz HRXRYDNHZOONLS-SDDRHHMPSA-N 1 0 268.357 0.916 10 0 CCAERO COC[C@@]1(C(=O)N2CCC[C@@H](C(=O)OC)C2)CC[NH2+]C1 ZINC000593911718 360207245 /nfs/dbraw/zinc/20/72/45/360207245.db2.gz IYUYSUNKRCLEIR-BXUZGUMPSA-N 1 0 284.356 0.024 10 0 CCAERO COC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000593912177 360208264 /nfs/dbraw/zinc/20/82/64/360208264.db2.gz XTHMVNJXRLKNIL-QJPTWQEYSA-N 1 0 268.357 0.916 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1cnn(C)c1 ZINC000177042118 189023132 /nfs/dbraw/zinc/02/31/32/189023132.db2.gz OLKUGYHQLUDEJA-CYBMUJFWSA-N 1 0 264.373 0.905 10 0 CCAERO C[C@H]1OCC[C@H]1NC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000333535788 291228965 /nfs/dbraw/zinc/22/89/65/291228965.db2.gz IORRJQWONAYHKQ-WISYIIOYSA-N 1 0 255.362 0.790 10 0 CCAERO O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1CCC[C@@H](O)C1 ZINC000372116709 296017971 /nfs/dbraw/zinc/01/79/71/296017971.db2.gz QINBCSJRRXDVNV-KGLIPLIRSA-N 1 0 282.384 0.613 10 0 CCAERO CCC[C@H](C(=O)Nc1cnn(CC(=O)OC)c1)[NH+](C)C ZINC000179570716 189202887 /nfs/dbraw/zinc/20/28/87/189202887.db2.gz RSWOBVAUCGGSBY-LLVKDONJSA-N 1 0 282.344 0.725 10 0 CCAERO COC(=O)c1cc(C[NH2+][C@H]2CCOC[C@H]2O)n(C)c1C ZINC000599012177 361555843 /nfs/dbraw/zinc/55/58/43/361555843.db2.gz NYQBEZACKBBGHT-QWHCGFSZSA-N 1 0 282.340 0.360 10 0 CCAERO CC(C)C(=O)N[C@H]1CCCN(c2cc[nH+]cc2C(N)=O)C1 ZINC000302206283 201395968 /nfs/dbraw/zinc/39/59/68/201395968.db2.gz DRJJZCSPLQHZRR-NSHDSACASA-N 1 0 290.367 0.922 10 0 CCAERO C[C@@H]1CN(Cc2cc(=O)n3ccsc3n2)C[C@@H]1C[NH3+] ZINC000631843549 370709724 /nfs/dbraw/zinc/70/97/24/370709724.db2.gz PEBZXXFSCOKKTP-ZJUUUORDSA-N 1 0 278.381 0.783 10 0 CCAERO C[C@@H]1CN(C(=O)c2cnc3ccccc3c2O)C[C@H]1[NH3+] ZINC000564955896 291325734 /nfs/dbraw/zinc/32/57/34/291325734.db2.gz BSTIHENQLNTYPI-BXKDBHETSA-N 1 0 271.320 0.947 10 0 CCAERO CCCN(CCC)S(=O)(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631967112 370795190 /nfs/dbraw/zinc/79/51/90/370795190.db2.gz CGFVAHNDACFKNQ-RYUDHWBXSA-N 1 0 277.434 0.880 10 0 CCAERO OCC[N@@H+]1CCO[C@H](c2ccccc2CO)CC1 ZINC000616665714 365419218 /nfs/dbraw/zinc/41/92/18/365419218.db2.gz UYGCJUJTLOLFKW-AWEZNQCLSA-N 1 0 251.326 0.935 10 0 CCAERO NS(=O)(=O)N1CC[C@H](CC[NH3+])c2ccccc21 ZINC000616674240 365420026 /nfs/dbraw/zinc/42/00/26/365420026.db2.gz BHTACSZREGFEDW-VIFPVBQESA-N 1 0 255.343 0.533 10 0 CCAERO NS(=O)(=O)N1CC[NH2+][C@H](c2ccc3ccncc3c2)C1 ZINC000616635058 365393643 /nfs/dbraw/zinc/39/36/43/365393643.db2.gz KHPHGQWHQRKMNZ-ZDUSSCGKSA-N 1 0 292.364 0.385 10 0 CCAERO [NH3+]CCN1CCOC[C@@H]1S(=O)(=O)c1ccccc1 ZINC000616638371 365397251 /nfs/dbraw/zinc/39/72/51/365397251.db2.gz GRJLKWNPMHRBFI-LBPRGKRZSA-N 1 0 270.354 0.077 10 0 CCAERO [NH3+]CCN1CCOC[C@@H]1c1ccc2ccnnc2c1 ZINC000616640293 365400173 /nfs/dbraw/zinc/40/01/73/365400173.db2.gz VPTVSSPEBGFHMM-CQSZACIVSA-N 1 0 258.325 0.962 10 0 CCAERO [NH3+]CCN1CCO[C@@H](c2cc3ccccc3nn2)C1 ZINC000616646271 365405286 /nfs/dbraw/zinc/40/52/86/365405286.db2.gz KBFKFSIGAIHFKS-CQSZACIVSA-N 1 0 258.325 0.962 10 0 CCAERO NC(=O)c1ccc([C@@H]2C[N@H+](CCO)CCCO2)cc1 ZINC000616649495 365406994 /nfs/dbraw/zinc/40/69/94/365406994.db2.gz KZVWPNSRWDSRRW-ZDUSSCGKSA-N 1 0 264.325 0.541 10 0 CCAERO [NH3+]CCN1CCO[C@@H](c2ccc(CO)cc2)CC1 ZINC000616594128 365377409 /nfs/dbraw/zinc/37/74/09/365377409.db2.gz CMNWUZIQGGGZEG-CQSZACIVSA-N 1 0 250.342 0.901 10 0 CCAERO [NH3+]CCN1CCOCC[C@@H]1c1cccc(CCO)c1 ZINC000616657061 365411241 /nfs/dbraw/zinc/41/12/41/365411241.db2.gz IFDRUNUTIAKQQV-OAHLLOKOSA-N 1 0 264.369 0.944 10 0 CCAERO NS(=O)(=O)N1CC[NH2+][C@@H](c2ccc3ncccc3c2)C1 ZINC000616655089 365411327 /nfs/dbraw/zinc/41/13/27/365411327.db2.gz UDFWCXNTKALFQO-CYBMUJFWSA-N 1 0 292.364 0.385 10 0 CCAERO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](CCO)CCO1 ZINC000616594847 365377718 /nfs/dbraw/zinc/37/77/18/365377718.db2.gz IJXAZXQAOQPOAD-LLVKDONJSA-N 1 0 274.361 0.894 10 0 CCAERO [NH3+]CCN1CCOCC[C@H]1c1cccc(CO)c1 ZINC000616598512 365379422 /nfs/dbraw/zinc/37/94/22/365379422.db2.gz OZXKOWBUCCBJRB-AWEZNQCLSA-N 1 0 250.342 0.901 10 0 CCAERO NC(=O)c1ccc([C@H]2COCCC[N@@H+]2CCO)cc1 ZINC000616599883 365380569 /nfs/dbraw/zinc/38/05/69/365380569.db2.gz RWOMWEXKSHTVNA-CYBMUJFWSA-N 1 0 264.325 0.541 10 0 CCAERO NC(=O)c1ccc(C[NH2+][C@H]2CCOC[C@@H]2O)cc1 ZINC000623764585 367650389 /nfs/dbraw/zinc/65/03/89/367650389.db2.gz HFNVFMCGGCGFTA-RYUDHWBXSA-N 1 0 250.298 0.025 10 0 CCAERO O[C@H](C[NH2+][C@@H]1CCOC[C@@H]1O)COCc1ccccc1 ZINC000629609091 369739141 /nfs/dbraw/zinc/73/91/41/369739141.db2.gz UGFFAJRTJNIWHJ-KFWWJZLASA-N 1 0 281.352 0.304 10 0 CCAERO CO[C@@H]1CN(C(=O)[C@@H]2C[C@H](C)O[C@@H]2C)[C@](C)(C[NH3+])C1 ZINC000630094309 369953202 /nfs/dbraw/zinc/95/32/02/369953202.db2.gz SWIIJYSHUWXXIY-XJGUIPMBSA-N 1 0 270.373 0.765 10 0 CCAERO CC[C@H](C)NC(=O)CN1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630364338 370065402 /nfs/dbraw/zinc/06/54/02/370065402.db2.gz 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268.317 0.016 10 0 CCAERO Cc1cc(N(C)C)nc(NC(=O)N[C@H]2CC[NH2+]C2)n1 ZINC000333337399 205231979 /nfs/dbraw/zinc/23/19/79/205231979.db2.gz PCYOATMBRBJHMR-VIFPVBQESA-N 1 0 264.333 0.334 10 0 CCAERO COc1cnc(NC(=O)N[C@H]2CCCC[NH2+]C2)nc1 ZINC000333370442 205261627 /nfs/dbraw/zinc/26/16/27/205261627.db2.gz UWULGGUJUSOICN-VIFPVBQESA-N 1 0 265.317 0.749 10 0 CCAERO O=C(NCCN1CCSCC1)N[C@H]1CCCC[NH2+]C1 ZINC000333410227 205297512 /nfs/dbraw/zinc/29/75/12/205297512.db2.gz RDRFZSRWRDYLOK-LBPRGKRZSA-N 1 0 286.445 0.477 10 0 CCAERO CC(C)c1nc(N[C@H]2CCC[NH2+]C2)nc(N(C)C)n1 ZINC000333473542 205352870 /nfs/dbraw/zinc/35/28/70/205352870.db2.gz DQIBGARUHVZWLM-JTQLQIEISA-N 1 0 264.377 0.647 10 0 CCAERO C[C@@H]1CCCC[C@H]1CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333786353 205703240 /nfs/dbraw/zinc/70/32/40/205703240.db2.gz LSOIBCBKCVHHNL-VOAKCMCISA-N 1 0 269.389 0.787 10 0 CCAERO CC[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@@H](n3cncn3)C2)C1 ZINC000334112061 206022558 /nfs/dbraw/zinc/02/25/58/206022558.db2.gz CTBIYLXONISDJU-CHWSQXEVSA-N 1 0 292.387 0.719 10 0 CCAERO CC1(C)NC(=O)CC[C@@H]1NC(=O)N1CC[NH+]2CCC1CC2 ZINC000334200693 206182075 /nfs/dbraw/zinc/18/20/75/206182075.db2.gz OFTSTKVVHZVJTO-LBPRGKRZSA-N 1 0 294.399 0.533 10 0 CCAERO COC[C@]1(C(=O)N[C@H]2CCO[C@@H]2C)CCCC[NH2+]1 ZINC000638170366 374752788 /nfs/dbraw/zinc/75/27/88/374752788.db2.gz ODDAYFIKMJWRTJ-MDZLAQPJSA-N 1 0 256.346 0.439 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cscc1Cl ZINC000638234503 374827314 /nfs/dbraw/zinc/82/73/14/374827314.db2.gz YITHJRARYBFODT-MUWHJKNJSA-N 1 0 260.746 0.712 10 0 CCAERO C[C@@H]1CN(C(=O)[C@@H]2CCCN2c2ncccn2)C[C@H]1[NH3+] ZINC000638332329 374933162 /nfs/dbraw/zinc/93/31/62/374933162.db2.gz NXLLNMHMFLOQHR-UTUOFQBUSA-N 1 0 275.356 0.251 10 0 CCAERO CC(C)CC[C@H]([NH3+])C(=O)NC[C@H]1CC(=O)N(C)C1 ZINC000638420937 375017580 /nfs/dbraw/zinc/01/75/80/375017580.db2.gz QRGFRCKHXRVYOH-MNOVXSKESA-N 1 0 255.362 0.344 10 0 CCAERO CCC[C@H](CNC(=O)C(C)(C)N1CC[NH2+]CC1)OCC ZINC000638457323 375061964 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YIRDBWBCHZQIFJ-NEPJUHHUSA-N 1 0 252.362 0.307 10 0 CCAERO CCOC(=O)NCCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246843177 285034328 /nfs/dbraw/zinc/03/43/28/285034328.db2.gz FCJACLOKCUJXCC-NEPJUHHUSA-N 1 0 285.388 0.968 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cccc(Cl)c1F ZINC000335161957 207809156 /nfs/dbraw/zinc/80/91/56/207809156.db2.gz MCSIWFQOQNOLDY-OIBJUYFYSA-N 1 0 272.707 0.789 10 0 CCAERO O[C@H](COC[C@H]1CCCO1)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000247049198 285041973 /nfs/dbraw/zinc/04/19/73/285041973.db2.gz ZFNQEVPYWHBXBU-OWCLPIDISA-N 1 0 298.427 0.713 10 0 CCAERO CC[C@@H]1CN(Cc2nncn2C)CC[N@@H+]1C[C@H](C)O ZINC000247158628 285043660 /nfs/dbraw/zinc/04/36/60/285043660.db2.gz MGFZXVJFCPFRCZ-NWDGAFQWSA-N 1 0 267.377 0.092 10 0 CCAERO O=C(Cc1c(F)cccc1F)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000335187443 207872946 /nfs/dbraw/zinc/87/29/46/207872946.db2.gz AAUWZZUBULMPAM-QWHCGFSZSA-N 1 0 282.290 0.707 10 0 CCAERO CC[C@H](C)NC(=O)[C@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000247402592 285050048 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269.389 0.831 10 0 CCAERO C[S@](=O)C[C@H](NC(=O)[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000187910875 388902187 /nfs/dbraw/zinc/90/21/87/388902187.db2.gz RIOWDBHBMTXIDV-RDXCRGQUSA-N 1 0 296.392 0.211 10 0 CCAERO CC[C@@H](O)C[NH+]1CCN(C[C@@H](O)CC(F)(F)F)CC1 ZINC000189449234 388959905 /nfs/dbraw/zinc/95/99/05/388959905.db2.gz IWCKLYWHPOOZON-MNOVXSKESA-N 1 0 284.322 0.688 10 0 CCAERO C[C@H]([C@H](C)NC(=O)N1CC[C@H]([NH+](C)C)C1)N1CCOCC1 ZINC000105302714 299604482 /nfs/dbraw/zinc/60/44/82/299604482.db2.gz MDOBVMIBUANKTR-MJBXVCDLSA-N 1 0 298.431 0.441 10 0 CCAERO O=S(=O)(c1cncc(F)c1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090321894 389020791 /nfs/dbraw/zinc/02/07/91/389020791.db2.gz BJPHGWUDWXJMGM-RKDXNWHRSA-N 1 0 271.317 0.061 10 0 CCAERO CCOc1ccnc(N2CC[NH+](C[C@H](O)CC)CC2)n1 ZINC000106386794 389092896 /nfs/dbraw/zinc/09/28/96/389092896.db2.gz LFHPMXNXEOISDJ-GFCCVEGCSA-N 1 0 280.372 0.768 10 0 CCAERO CC[N@H+](CCO)CCNc1ccc2nccnc2n1 ZINC000302225952 389066737 /nfs/dbraw/zinc/06/67/37/389066737.db2.gz 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CCC(=O)N1CCC[C@@H](C(=O)N2CCCC[C@H]2C[NH3+])C1 ZINC000131177923 389210072 /nfs/dbraw/zinc/21/00/72/389210072.db2.gz FZZUSPDGBPUHHS-OLZOCXBDSA-N 1 0 281.400 0.975 10 0 CCAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ncnn2C)C1 ZINC000245603267 389213921 /nfs/dbraw/zinc/21/39/21/389213921.db2.gz PWGARGTXSQNWMW-NXEZZACHSA-N 1 0 266.349 0.665 10 0 CCAERO CC[C@H]1CN(CCOCCO)CC[N@@H+]1CCOC ZINC000132958954 389229785 /nfs/dbraw/zinc/22/97/85/389229785.db2.gz PCNGKMSBCMSASK-ZDUSSCGKSA-N 1 0 260.378 0.038 10 0 CCAERO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000246565328 389229871 /nfs/dbraw/zinc/22/98/71/389229871.db2.gz HLRSHHDUUBYEQX-TUAOUCFPSA-N 1 0 283.372 0.722 10 0 CCAERO CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000247236496 389238120 /nfs/dbraw/zinc/23/81/20/389238120.db2.gz XIVSPNSYPZCJLK-UONOGXRCSA-N 1 0 283.416 0.554 10 0 CCAERO COC(=O)CSCCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261625897 389273555 /nfs/dbraw/zinc/27/35/55/389273555.db2.gz 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C[C@H](NC(=O)N1CC[NH2+]C[C@H]1C)[C@H]1CCCOC1 ZINC000333579027 389429475 /nfs/dbraw/zinc/42/94/75/389429475.db2.gz NKUJQCHZQMHLFB-WOPDTQHZSA-N 1 0 255.362 0.805 10 0 CCAERO C[C@H](C(=O)Nc1ccccc1NS(C)(=O)=O)C1C[NH2+]C1 ZINC000164057827 389432560 /nfs/dbraw/zinc/43/25/60/389432560.db2.gz AMVWPIDMJUPXBC-VIFPVBQESA-N 1 0 297.380 0.852 10 0 CCAERO CCc1cc(NC[C@@H]2C[NH2+]CCCO2)nc(C)n1 ZINC000333592658 389432820 /nfs/dbraw/zinc/43/28/20/389432820.db2.gz SXHKQYGVTHQBQC-LBPRGKRZSA-N 1 0 250.346 0.560 10 0 CCAERO C[C@]1(CNC(=O)N[C@@H]2CCCC[NH2+]C2)CCOC1 ZINC000333601382 389435197 /nfs/dbraw/zinc/43/51/97/389435197.db2.gz POQUJOWKUMSENQ-DGCLKSJQSA-N 1 0 255.362 0.854 10 0 CCAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3nnnn3CC2)CN1C1CC1 ZINC000333812573 389444951 /nfs/dbraw/zinc/44/49/51/389444951.db2.gz FWEDBWIJHNHITQ-UTUOFQBUSA-N 1 0 276.388 0.593 10 0 CCAERO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173946325 389511961 /nfs/dbraw/zinc/51/19/61/389511961.db2.gz NEKFSNWPHACXNS-IHRRRGAJSA-N 1 0 283.416 0.696 10 0 CCAERO CC[C@H](O)C[NH+]1CCN(CC(=O)N2CCC[C@H](C)C2)CC1 ZINC000174074528 389514695 /nfs/dbraw/zinc/51/46/95/389514695.db2.gz MFCYZYQVOLAVIX-GJZGRUSLSA-N 1 0 297.443 0.633 10 0 CCAERO NC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CCC3(CCCC3)C2)C1 ZINC000174263163 389517619 /nfs/dbraw/zinc/51/76/19/389517619.db2.gz BDLFRNKOWDWSAV-ZDUSSCGKSA-N 1 0 293.411 0.976 10 0 CCAERO Cc1cnn([C@@H]2CCCN(C(=O)[C@@H]3CN(C)CCO3)C2)c1 ZINC000174660863 389526568 /nfs/dbraw/zinc/52/65/68/389526568.db2.gz VBXJHULNCCPEGT-KGLIPLIRSA-N 1 0 292.383 0.686 10 0 CCAERO Cc1cc(C)c(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c(C)c1 ZINC000335162134 389540384 /nfs/dbraw/zinc/54/03/84/389540384.db2.gz OZDSSONXKYJSKX-CHWSQXEVSA-N 1 0 262.353 0.922 10 0 CCAERO C[C@H]1COc2ccccc2CN1C(=O)NC1C[NH2+]C1 ZINC000335379955 389551557 /nfs/dbraw/zinc/55/15/57/389551557.db2.gz UUFZUTHJYKNEEU-JTQLQIEISA-N 1 0 261.325 0.951 10 0 CCAERO CC1CC[NH+](CC(=O)N2C[C@H](C)C[C@@H](O)C2)CC1 ZINC000335372968 389551763 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AIGWVVRDNTYXBU-SNVBAGLBSA-N 1 0 273.336 0.498 10 0 CCAERO COC[C@@]1(C(=O)N(C)CC2=CCCOC2)CCC[NH2+]1 ZINC000662873064 414857909 /nfs/dbraw/zinc/85/79/09/414857909.db2.gz ULMKDUQRJSIOMF-CQSZACIVSA-N 1 0 268.357 0.560 10 0 CCAERO COC[C@@H]([NH3+])C(=O)NCc1cnccc1C(F)(F)F ZINC000663003540 414943634 /nfs/dbraw/zinc/94/36/34/414943634.db2.gz XUVSLOYSRNRYOG-SECBINFHSA-N 1 0 277.246 0.690 10 0 CCAERO CN(C(=O)CN1CCCCCC1=O)[C@@H](C[NH3+])C(F)(F)F ZINC000662977158 414931702 /nfs/dbraw/zinc/93/17/02/414931702.db2.gz JYZABMHAKQWAIU-VIFPVBQESA-N 1 0 295.305 0.737 10 0 CCAERO CN(C(=O)Cc1cccnc1)[C@H](C[NH3+])C(F)(F)F ZINC000662984115 414933453 /nfs/dbraw/zinc/93/34/53/414933453.db2.gz NRHRVYZGLNWLIZ-SECBINFHSA-N 1 0 261.247 0.972 10 0 CCAERO CN1C[C@H](CNC(=O)C2([NH3+])CC3(CCC3)C2)CC1=O ZINC000662886672 414870431 /nfs/dbraw/zinc/87/04/31/414870431.db2.gz JRAZHBIWTNYSGG-JTQLQIEISA-N 1 0 265.357 0.243 10 0 CCAERO COC[C@]1(C(=O)Nc2ccnc(OC)c2)CCC[NH2+]1 ZINC000662898676 414876981 /nfs/dbraw/zinc/87/69/81/414876981.db2.gz ACWSTQCQEYPJBR-ZDUSSCGKSA-N 1 0 265.313 0.797 10 0 CCAERO CC[C@@H]1CO[C@@H](C)CN1S(=O)(=O)N(C)CCC[NH3+] ZINC000042525298 174775159 /nfs/dbraw/zinc/77/51/59/174775159.db2.gz SYZWEVLIPPVJNV-WDEREUQCSA-N 1 0 279.406 0.011 10 0 CCAERO O=S(=O)(C[C@@H]1CCC[NH2+]1)N(CCO)C1CCCCC1 ZINC000042526718 174776974 /nfs/dbraw/zinc/77/69/74/174776974.db2.gz DDGPTTYRXMIVIN-LBPRGKRZSA-N 1 0 290.429 0.695 10 0 CCAERO CN(CCC[NH3+])S(=O)(=O)N(C)C[C@@H]1CCCCO1 ZINC000042533552 174781570 /nfs/dbraw/zinc/78/15/70/174781570.db2.gz ARIJIGSYGSPUKT-NSHDSACASA-N 1 0 279.406 0.013 10 0 CCAERO CC(C)CN(C1CC1)S(=O)(=O)N(C)CCC[NH3+] ZINC000042559526 174795442 /nfs/dbraw/zinc/79/54/42/174795442.db2.gz IXQBGVUYKODVBG-UHFFFAOYSA-N 1 0 263.407 0.632 10 0 CCAERO CCC(CC)N(CCOC)S(=O)(=O)CCC[NH3+] ZINC000042680717 174834815 /nfs/dbraw/zinc/83/48/15/174834815.db2.gz ZJMNWMJCJIPYDL-UHFFFAOYSA-N 1 0 266.407 0.802 10 0 CCAERO O=S1(=O)N=C(NC[C@H]2CCCC[NH2+]2)c2ccccc21 ZINC000044493440 175181545 /nfs/dbraw/zinc/18/15/45/175181545.db2.gz YSRMIYMDAMESGU-SNVBAGLBSA-N 1 0 279.365 0.867 10 0 CCAERO CC[NH+]1CCC(CNC(=O)c2c(C)[nH]nc2N)CC1 ZINC000044527300 175192423 /nfs/dbraw/zinc/19/24/23/175192423.db2.gz RUVBUFXGCWNGMK-UHFFFAOYSA-N 1 0 265.361 0.762 10 0 CCAERO CCCN(CC(=O)OC)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000070576367 175991737 /nfs/dbraw/zinc/99/17/37/175991737.db2.gz NAILCJFECJPFMH-MNOVXSKESA-N 1 0 256.346 0.916 10 0 CCAERO [NH3+]CCN(C1CCCC1)S(=O)(=O)c1cn[nH]c1 ZINC000070975307 176018107 /nfs/dbraw/zinc/01/81/07/176018107.db2.gz WABUUMKMEJUILI-UHFFFAOYSA-N 1 0 258.347 0.302 10 0 CCAERO CC1CCN(S(=O)(=O)NC[C@H]2[NH2+]CCC[C@H]2C)CC1 ZINC000071339071 176129321 /nfs/dbraw/zinc/12/93/21/176129321.db2.gz JGVNEPKWUNHPGZ-CHWSQXEVSA-N 1 0 289.445 0.941 10 0 CCAERO CNC(=O)CCSc1nnc(C[NH3+])n1C(C)C ZINC000071374521 176139934 /nfs/dbraw/zinc/13/99/34/176139934.db2.gz BTDHLOILMGOQKC-UHFFFAOYSA-N 1 0 257.363 0.546 10 0 CCAERO C[NH2+]C[C@H]1CN(Cc2ccc3c(c2)OCO3)CCO1 ZINC000071596679 176219993 /nfs/dbraw/zinc/21/99/93/176219993.db2.gz QKDQUERMZLVUDV-LBPRGKRZSA-N 1 0 264.325 0.836 10 0 CCAERO COCCOc1ccc(CN2C[C@@H]([NH3+])CC2=O)cc1 ZINC000076367917 177005488 /nfs/dbraw/zinc/00/54/88/177005488.db2.gz CZANFEDTQXAVJD-LBPRGKRZSA-N 1 0 264.325 0.771 10 0 CCAERO CCC[C@@H](C[NH3+])CCC(=O)N1CCN(C(C)=O)CC1 ZINC000076707814 177066243 /nfs/dbraw/zinc/06/62/43/177066243.db2.gz CBMFMRPZXREFPW-CYBMUJFWSA-N 1 0 269.389 0.832 10 0 CCAERO CC(C)C[C@@H](C[NH3+])CCC(=O)N1CCN(C=O)CC1 ZINC000076707803 177066524 /nfs/dbraw/zinc/06/65/24/177066524.db2.gz PIPOKOPUBKYJOJ-ZDUSSCGKSA-N 1 0 269.389 0.688 10 0 CCAERO CCOC(=O)N1CCN(C(=O)[C@H](C)CCC[NH3+])CC1 ZINC000076711843 177068384 /nfs/dbraw/zinc/06/83/84/177068384.db2.gz ADBPPURBNFOOAD-LLVKDONJSA-N 1 0 271.361 0.662 10 0 CCAERO CC(C)[NH2+]C[C@@H](O)COc1ccc(C(=O)OCCO)cc1 ZINC000077300663 177250608 /nfs/dbraw/zinc/25/06/08/177250608.db2.gz UPAZFOMIRKHLDX-CYBMUJFWSA-N 1 0 297.351 0.573 10 0 in-vitro CCAERO CCOC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000227814618 269747859 /nfs/dbraw/zinc/74/78/59/269747859.db2.gz YHNDNZGVZMZDSK-QJPTWQEYSA-N 1 0 283.372 0.851 10 0 CCAERO C[C@@H]1CCC[N@H+](C[C@H]2CCS(=O)(=O)C2)[C@H]1CO ZINC000408399802 287355038 /nfs/dbraw/zinc/35/50/38/287355038.db2.gz LCDYZFHUIYFZTM-UTUOFQBUSA-N 1 0 261.387 0.514 10 0 CCAERO CS(=O)(=O)c1cnn(Cc2ccoc2C[NH3+])c1 ZINC000725242176 545873875 /nfs/dbraw/zinc/87/38/75/545873875.db2.gz KOONPTMKEOLJTR-UHFFFAOYSA-N 1 0 255.299 0.387 10 0 CCAERO COCCNC(=O)NC1CCC2(CC1)C[NH2+]CCO2 ZINC000725244541 545874659 /nfs/dbraw/zinc/87/46/59/545874659.db2.gz YOJNUHMBPYLEKF-UHFFFAOYSA-N 1 0 271.361 0.233 10 0 CCAERO C[C@H]([NH3+])[C@H](c1ccncc1)n1cc(S(C)(=O)=O)cn1 ZINC000725252282 545876818 /nfs/dbraw/zinc/87/68/18/545876818.db2.gz LODZRPIHWBDKOF-JOYOIKCWSA-N 1 0 280.353 0.618 10 0 CCAERO CC(C)C[C@H]([NH3+])[C@H](CO)n1cc(S(C)(=O)=O)cn1 ZINC000725253437 545877966 /nfs/dbraw/zinc/87/79/66/545877966.db2.gz VIQHAYLNALDLOE-QWRGUYRKSA-N 1 0 275.374 0.193 10 0 CCAERO Cc1cc(C(N)=[NH2+])ccc1-n1cc(S(C)(=O)=O)cn1 ZINC000725252764 545878216 /nfs/dbraw/zinc/87/82/16/545878216.db2.gz XAQFGGNDHPSVHV-UHFFFAOYSA-N 1 0 278.337 0.868 10 0 CCAERO CS(=O)(=O)c1cnn([C@H](C[NH3+])c2cccnc2)c1 ZINC000725253525 545878637 /nfs/dbraw/zinc/87/86/37/545878637.db2.gz WRLVFKRVSLTVKO-LLVKDONJSA-N 1 0 266.326 0.230 10 0 CCAERO CC(C)C[NH2+]C[C@H](O)CCn1cc(S(C)(=O)=O)cn1 ZINC000725253379 545878466 /nfs/dbraw/zinc/87/84/66/545878466.db2.gz UKPPPIJADXKFOD-LLVKDONJSA-N 1 0 289.401 0.283 10 0 CCAERO C[C@@H]1CN(S(=O)(=O)C2CC2)CC2(CC[NH2+]CC2)O1 ZINC000725272445 545887646 /nfs/dbraw/zinc/88/76/46/545887646.db2.gz QEOLTYCVUZDCNH-SNVBAGLBSA-N 1 0 274.386 0.322 10 0 CCAERO CCC[C@@H](C)C(=O)N[C@@H]1CC(=O)N(C2C[NH2+]C2)C1 ZINC000725271886 545888379 /nfs/dbraw/zinc/88/83/79/545888379.db2.gz DQMGCYPGIGVKFP-NXEZZACHSA-N 1 0 253.346 0.112 10 0 CCAERO C[C@H]1CN(S(=O)(=O)C2CC2)CC2(CC[NH2+]CC2)O1 ZINC000725272444 545888570 /nfs/dbraw/zinc/88/85/70/545888570.db2.gz QEOLTYCVUZDCNH-JTQLQIEISA-N 1 0 274.386 0.322 10 0 CCAERO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCc2[nH]c3ccccc3c2C1 ZINC000037803951 544424187 /nfs/dbraw/zinc/42/41/87/544424187.db2.gz QBNCMKLVNIDBPL-MEBBXXQBSA-N 1 0 285.347 0.775 10 0 CCAERO CN(C)c1ncc(C[NH2+][C@@H]2CCC[C@H](O)C2)n1C ZINC000070143542 544449101 /nfs/dbraw/zinc/44/91/01/544449101.db2.gz UBIYIDWBKNEPEI-PWSUYJOCSA-N 1 0 252.362 0.879 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000089455329 544512979 /nfs/dbraw/zinc/51/29/79/544512979.db2.gz ZQTUTGCBQODRMA-KKUMJFAQSA-N 1 0 295.427 0.685 10 0 CCAERO CCN(CC(=O)N(C)C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089451120 544513106 /nfs/dbraw/zinc/51/31/06/544513106.db2.gz LDVVAVAJBYYTAG-GHMZBOCLSA-N 1 0 255.362 0.298 10 0 CCAERO Cc1cc(NC(=O)CN(C)C(=O)[C@@H]2CCC[C@H]2C[NH3+])no1 ZINC000089456907 544513806 /nfs/dbraw/zinc/51/38/06/544513806.db2.gz IEUPFXXSMVACDD-WDEREUQCSA-N 1 0 294.355 0.755 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1cccnc1-n1cncn1 ZINC000089459146 544514084 /nfs/dbraw/zinc/51/40/84/544514084.db2.gz GXOPHCLREAIIDF-QWRGUYRKSA-N 1 0 286.339 0.976 10 0 CCAERO CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000089457058 544515090 /nfs/dbraw/zinc/51/50/90/544515090.db2.gz QJSFWDZYXNZEMC-UPJWGTAASA-N 1 0 267.373 0.489 10 0 CCAERO CCC[NH2+]C[C@@H](O)CS(=O)(=O)c1ccccc1 ZINC000126471481 544596962 /nfs/dbraw/zinc/59/69/62/544596962.db2.gz RAWVFRGVHLOJJL-LLVKDONJSA-N 1 0 257.355 0.821 10 0 CCAERO C[C@H](NC(=O)C1([NH3+])CCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000147631687 544646304 /nfs/dbraw/zinc/64/63/04/544646304.db2.gz PLHSAGNHAMUSJO-VIFPVBQESA-N 1 0 297.380 0.393 10 0 CCAERO C[C@H]([NH3+])[C@@H]1CN(c2nnnn2-c2ccccc2)CCO1 ZINC000156562265 544679852 /nfs/dbraw/zinc/67/98/52/544679852.db2.gz RTISDBPOTQCHPM-JQWIXIFHSA-N 1 0 274.328 0.215 10 0 CCAERO CN(CC(=O)N1CCCC1)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000136150029 544638244 /nfs/dbraw/zinc/63/82/44/544638244.db2.gz JVDGIXMVWPZXCH-CQSZACIVSA-N 1 0 267.373 0.599 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC000136356921 544639114 /nfs/dbraw/zinc/63/91/14/544639114.db2.gz OMCPIZBRTUHHDB-CYBMUJFWSA-N 1 0 281.400 0.877 10 0 CCAERO CCN1CCO[C@H](CNC(=O)c2cccc(O)c2)C1 ZINC000166976411 544724719 /nfs/dbraw/zinc/72/47/19/544724719.db2.gz RNUBLPNXIKSKHO-CYBMUJFWSA-N 1 0 264.325 0.843 10 0 CCAERO CCC(CC)CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O ZINC000158242841 544689799 /nfs/dbraw/zinc/68/97/99/544689799.db2.gz JHOLPQPMRNTIBB-SNVBAGLBSA-N 1 0 264.391 0.301 10 0 CCAERO Cc1cnc([C@@H](C)NC(=O)C[C@@H]2COCC[NH2+]2)o1 ZINC000231744525 544859803 /nfs/dbraw/zinc/85/98/03/544859803.db2.gz XGETZLMCMOHPLR-NXEZZACHSA-N 1 0 253.302 0.539 10 0 CCAERO COc1ccnc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000248648603 544915045 /nfs/dbraw/zinc/91/50/45/544915045.db2.gz UCLAVYDNARTVMA-ZMLRMANQSA-N 1 0 261.325 0.900 10 0 CCAERO C[C@H](NC(=O)c1ccco1)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000248878146 544916535 /nfs/dbraw/zinc/91/65/35/544916535.db2.gz RLPJBQCKUYPEQK-GARJFASQSA-N 1 0 279.340 0.655 10 0 CCAERO C[C@@H]1CCC[C@H](NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)[C@H]1C ZINC000251577113 544926787 /nfs/dbraw/zinc/92/67/87/544926787.db2.gz BWQYCMFCMWYJOQ-KXNHARMFSA-N 1 0 290.429 0.689 10 0 CCAERO C[C@H](Cn1cccn1)NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000251696051 544927550 /nfs/dbraw/zinc/92/75/50/544927550.db2.gz MINWRXINWWZUOL-WOPDTQHZSA-N 1 0 250.346 0.763 10 0 CCAERO C[C@@H]1CCCN(c2ncnc3c2cnn3C)[C@H]1C[NH3+] ZINC000252141190 544928488 /nfs/dbraw/zinc/92/84/88/544928488.db2.gz MGVULTCAUGKMBW-KOLCDFICSA-N 1 0 260.345 0.927 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cc2ccccc2[nH]c1=O ZINC000262103744 544939200 /nfs/dbraw/zinc/93/92/00/544939200.db2.gz DXGIJTXAOGZOHT-GXFFZTMASA-N 1 0 287.319 0.251 10 0 CCAERO CCc1ccccc1OCC(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262098066 544939767 /nfs/dbraw/zinc/93/97/67/544939767.db2.gz DNKLGNLLTAWJHN-CHWSQXEVSA-N 1 0 278.352 0.324 10 0 CCAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1ccccc1OC(F)F ZINC000262153495 544941533 /nfs/dbraw/zinc/94/15/33/544941533.db2.gz RPCJABJRNZEKNC-WDEREUQCSA-N 1 0 272.295 0.958 10 0 CCAERO COCc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262142345 544941866 /nfs/dbraw/zinc/94/18/66/544941866.db2.gz HGBMTNFHKQDPGS-OLZOCXBDSA-N 1 0 264.325 0.143 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)C1(c2ccccc2)CC1 ZINC000262255456 544942765 /nfs/dbraw/zinc/94/27/65/544942765.db2.gz LUNOKJXRIBOZLU-DGCLKSJQSA-N 1 0 260.337 0.415 10 0 CCAERO CCO[C@@H]1CCC[C@H]1NC(=O)NC[C@H]1CC[NH2+]C1 ZINC000333832801 545043648 /nfs/dbraw/zinc/04/36/48/545043648.db2.gz TVGQAXUZFHGZRL-QJPTWQEYSA-N 1 0 255.362 0.853 10 0 CCAERO CC[N@H+](C)C[C@H](O)Cn1cc(Br)c(N)n1 ZINC000308979394 545009691 /nfs/dbraw/zinc/00/96/91/545009691.db2.gz DFEGMAXSWMOVCR-ZETCQYMHSA-N 1 0 277.166 0.540 10 0 CCAERO CC(C)(O)CN1CC[NH+](C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000311647977 545012980 /nfs/dbraw/zinc/01/29/80/545012980.db2.gz LZMWMTYUJVVJES-ZIAGYGMSSA-N 1 0 270.417 0.926 10 0 CCAERO Cn1nncc1-c1nc([C@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000329615648 545024327 /nfs/dbraw/zinc/02/43/27/545024327.db2.gz SHDLFYLLLAKEMW-WCBMZHEXSA-N 1 0 276.300 0.401 10 0 CCAERO C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000329668435 545025051 /nfs/dbraw/zinc/02/50/51/545025051.db2.gz LWWNAWBXAUIJHO-CHWSQXEVSA-N 1 0 277.372 0.611 10 0 CCAERO C[C@H]1C[C@H](O)CN(C(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000334099957 545045356 /nfs/dbraw/zinc/04/53/56/545045356.db2.gz VOOZZWNHBWZSRF-STQMWFEESA-N 1 0 285.388 0.121 10 0 CCAERO C[C@H](NC(=O)N[C@@H]1CCO[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000333558346 545040277 /nfs/dbraw/zinc/04/02/77/545040277.db2.gz LBFSKZXSEWLDBC-FIQHERPVSA-N 1 0 255.362 0.851 10 0 CCAERO O=C(NC[C@@H]1CCC[NH2+]1)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000333619083 545041074 /nfs/dbraw/zinc/04/10/74/545041074.db2.gz RJGAXRXKFZPPOH-QJPTWQEYSA-N 1 0 253.346 0.605 10 0 CCAERO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000392873172 269763018 /nfs/dbraw/zinc/76/30/18/269763018.db2.gz FKQWXAKBQWIDQL-NAKRPEOUSA-N 1 0 255.362 0.546 10 0 CCAERO C[C@@H]([NH3+])C(=O)NCc1ccc(Br)nc1 ZINC000211776996 260336015 /nfs/dbraw/zinc/33/60/15/260336015.db2.gz BUAXGAKXMBAPAA-ZCFIWIBFSA-N 1 0 258.119 0.808 10 0 CCAERO CC[C@@H]1CN(C[C@H](O)CSC)CC[N@@H+]1C[C@@H](C)O ZINC000187878435 262145601 /nfs/dbraw/zinc/14/56/01/262145601.db2.gz NZDKKHFGVYGZBU-UPJWGTAASA-N 1 0 276.446 0.487 10 0 CCAERO [NH3+]CCOCCNC(=O)c1ccc2ccccc2n1 ZINC000111363604 274946306 /nfs/dbraw/zinc/94/63/06/274946306.db2.gz WONGCKJSCJQSGV-UHFFFAOYSA-N 1 0 259.309 0.940 10 0 CCAERO CC(C)(C)OC(=O)N1CCc2nnc(C[NH3+])n2CC1 ZINC000091303699 275521264 /nfs/dbraw/zinc/52/12/64/275521264.db2.gz SGSZCVSESJWVHS-UHFFFAOYSA-N 1 0 267.333 0.530 10 0 CCAERO CC1(C)CN(C(=O)[C@H]2CC(F)(F)CN2)CC[C@@H]1[NH3+] ZINC000335971484 275840562 /nfs/dbraw/zinc/84/05/62/275840562.db2.gz YGBINOICWZDRMJ-BDAKNGLRSA-N 1 0 261.316 0.569 10 0 CCAERO CC(C)[C@H]1OCC[C@H]1CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000262903400 276036221 /nfs/dbraw/zinc/03/62/21/276036221.db2.gz XXTUNLPCMQETEA-IINYFYTJSA-N 1 0 292.383 0.846 10 0 CCAERO CC(C)[C@](C)(O)C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000229589663 276037604 /nfs/dbraw/zinc/03/76/04/276037604.db2.gz JKJGFUXWRMYYGK-ZIAGYGMSSA-N 1 0 256.390 0.800 10 0 CCAERO CC(=O)Nc1ccc(CC(=O)N2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000335379777 277072685 /nfs/dbraw/zinc/07/26/85/277072685.db2.gz JUWYVBSPDFQYAH-IINYFYTJSA-N 1 0 275.352 0.993 10 0 CCAERO C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CNC(=O)C3)[C@@H]2C1 ZINC000329459228 277143230 /nfs/dbraw/zinc/14/32/30/277143230.db2.gz ROTJKMGOIKHXLW-GMTAPVOTSA-N 1 0 251.330 0.515 10 0 CCAERO CC(C)(C)N1C[C@@H](NC(=O)NC[C@H]2CC[NH2+]C2)CC1=O ZINC000333487283 277157527 /nfs/dbraw/zinc/15/75/27/277157527.db2.gz CBZYZQKIGSOQNF-QWRGUYRKSA-N 1 0 282.388 0.295 10 0 CCAERO C[NH2+]C[C@@H]1CCCN1C(=O)N[C@H]1CCO[C@H]1C1CC1 ZINC000333576600 277277217 /nfs/dbraw/zinc/27/72/17/277277217.db2.gz NBQFVGQSGWYLBQ-AVGNSLFASA-N 1 0 267.373 0.947 10 0 CCAERO CC(C)C[C@H](C)OC[C@H](O)C[NH2+]CCOCCO ZINC000054615222 277477063 /nfs/dbraw/zinc/47/70/63/277477063.db2.gz KYFVXKXISVMYQL-QWHCGFSZSA-N 1 0 263.378 0.397 10 0 CCAERO CO[C@@H]1COC[C@@H]1NC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000333794890 277671192 /nfs/dbraw/zinc/67/11/92/277671192.db2.gz NBJOZOCLQJKZMM-FIQHERPVSA-N 1 0 271.361 0.169 10 0 CCAERO C[C@@H]1CN(C(=O)N2CCCOCC2)C[C@@]1(C)C[NH3+] ZINC000335224290 277826294 /nfs/dbraw/zinc/82/62/94/277826294.db2.gz SHUKDEGHOMVWTP-DGCLKSJQSA-N 1 0 255.362 0.745 10 0 CCAERO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000408407496 278140101 /nfs/dbraw/zinc/14/01/01/278140101.db2.gz XJTAWELSVNFOGF-VOAKCMCISA-N 1 0 279.384 0.583 10 0 CCAERO CSc1[nH]nc2ncnc(N3CC[NH+](C)CC3)c21 ZINC000041528692 278178650 /nfs/dbraw/zinc/17/86/50/278178650.db2.gz KWYODOWKIMFWRF-UHFFFAOYSA-N 1 0 264.358 0.827 10 0 CCAERO CC(=O)[C@](C)(O)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000408199489 278239101 /nfs/dbraw/zinc/23/91/01/278239101.db2.gz SQBHGGWZVCWRFD-BFHYXJOUSA-N 1 0 255.358 0.953 10 0 CCAERO C[C@H]1CCCC[C@H]1OC[C@@H](O)C[NH2+]CCOCCO ZINC000100237370 278338098 /nfs/dbraw/zinc/33/80/98/278338098.db2.gz BAATZBHEUXUIMH-MELADBBJSA-N 1 0 275.389 0.541 10 0 CCAERO CC(C)(C)[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C(N)=O ZINC000261875678 278490269 /nfs/dbraw/zinc/49/02/69/278490269.db2.gz YKPGKBRKIOUOBS-BBBLOLIVSA-N 1 0 255.362 0.378 10 0 CCAERO CCN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246489675 279070232 /nfs/dbraw/zinc/07/02/32/279070232.db2.gz PHYZAAILEDYOGJ-KGLIPLIRSA-N 1 0 283.416 0.507 10 0 CCAERO CC[C@H](O)C[NH+]1CCN(CC(=O)N[C@H](C)C(C)C)CC1 ZINC000174078186 288110497 /nfs/dbraw/zinc/11/04/97/288110497.db2.gz QRCHKBTXHSHNEB-KGLIPLIRSA-N 1 0 285.432 0.536 10 0 CCAERO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CCC(=O)N(C)C1=O ZINC000090024183 279214767 /nfs/dbraw/zinc/21/47/67/279214767.db2.gz UXFBVUSWSOPISL-GZMMTYOYSA-N 1 0 264.329 0.527 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)CC(=O)N1CCN(C)CC1 ZINC000180527704 279301225 /nfs/dbraw/zinc/30/12/25/279301225.db2.gz RJDMKAAABOIAQS-CQSZACIVSA-N 1 0 282.432 0.177 10 0 CCAERO CC(C)N(C)C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000408035745 279322294 /nfs/dbraw/zinc/32/22/94/279322294.db2.gz ZUTARSJQIVLNSG-QWHCGFSZSA-N 1 0 281.400 0.844 10 0 CCAERO CC(C)N(C)C(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000125140020 279322871 /nfs/dbraw/zinc/32/28/71/279322871.db2.gz ZUTARSJQIVLNSG-OLZOCXBDSA-N 1 0 281.400 0.844 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1nocc1C ZINC000119062135 279323870 /nfs/dbraw/zinc/32/38/70/279323870.db2.gz VHWGGJHYALJLIL-NSHDSACASA-N 1 0 294.355 0.864 10 0 CCAERO C[C@H]([NH3+])CC(=O)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000261901714 279394625 /nfs/dbraw/zinc/39/46/25/279394625.db2.gz ZCZFVLCYMYLGIJ-GVXVVHGQSA-N 1 0 279.384 0.726 10 0 CCAERO C[C@H]1CN(C(=O)C(=O)NC2CCC(C)(C)CC2)C[C@@H]1[NH3+] ZINC000335285100 279782828 /nfs/dbraw/zinc/78/28/28/279782828.db2.gz IEBGFLFABKVVKS-JQWIXIFHSA-N 1 0 281.400 0.877 10 0 CCAERO CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] 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CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NCCC(=O)OC ZINC000245941180 288317200 /nfs/dbraw/zinc/31/72/00/288317200.db2.gz AUQGSDUWZQKJBI-STQMWFEESA-N 1 0 297.399 0.224 10 0 CCAERO CN(C(=O)NC[C@@H]1CCCC1(C)C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333794510 288841387 /nfs/dbraw/zinc/84/13/87/288841387.db2.gz MZOIGBQOAOIYFA-SRVKXCTJSA-N 1 0 269.389 0.787 10 0 CCAERO CN(C)C(=O)[C@H]1CCCN1C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261669996 289016964 /nfs/dbraw/zinc/01/69/64/289016964.db2.gz ZYZZEQCUXQNACO-NWDGAFQWSA-N 1 0 267.373 0.598 10 0 CCAERO C[C@H](C(=O)N[C@H]1CCC[C@@H](C(=O)N(C)C)C1)C1C[NH2+]C1 ZINC000262583739 289372620 /nfs/dbraw/zinc/37/26/20/289372620.db2.gz UXJIAVNBGCYVCG-LOWVWBTDSA-N 1 0 281.400 0.605 10 0 CCAERO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCO[C@H]2CCC[C@H]21 ZINC000333884975 290602470 /nfs/dbraw/zinc/60/24/70/290602470.db2.gz XAAMUECQXIABTI-LOWDOPEQSA-N 1 0 267.373 0.947 10 0 CCAERO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CCC(=O)N(C)C1=O ZINC000333610876 296974900 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C[C@H](C(=O)NC(=O)NC(C)(C)C)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000408023482 298120753 /nfs/dbraw/zinc/12/07/53/298120753.db2.gz SENKYMWFCVDTLU-IJLUTSLNSA-N 1 0 298.431 0.881 10 0 CCAERO C[C@H]1C[N@H+](C)CCN1CC(=O)NC(=O)NC(C)(C)C ZINC000408111668 300213650 /nfs/dbraw/zinc/21/36/50/300213650.db2.gz GMBOTAPVCIEBNF-JTQLQIEISA-N 1 0 270.377 0.247 10 0 CCAERO C[C@H]1COCCN1C(=O)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000038043162 300342288 /nfs/dbraw/zinc/34/22/88/300342288.db2.gz UBPOFBUDCLUPTI-JSGCOSHPSA-N 1 0 281.400 0.450 10 0 CCAERO COC(=O)c1cncc(N[C@@H]2C[NH2+]CC[C@@H]2C)n1 ZINC000389732633 328950923 /nfs/dbraw/zinc/95/09/23/328950923.db2.gz RJOPGIODAVDCCW-DTWKUNHWSA-N 1 0 250.302 0.673 10 0 CCAERO CCN1C[C@@H](NC(=O)C[C@@H]2CCC[NH2+]C2)CC1=O ZINC000391608388 328979670 /nfs/dbraw/zinc/97/96/70/328979670.db2.gz JUASBEAEXDNYTH-QWRGUYRKSA-N 1 0 253.346 0.113 10 0 CCAERO CC(C)(C(=O)NCc1ccc(=O)[nH]c1)N1CC[NH2+]CC1 ZINC000392726511 329005313 /nfs/dbraw/zinc/00/53/13/329005313.db2.gz SRPQATRZUROTNC-UHFFFAOYSA-N 1 0 278.356 0.087 10 0 CCAERO CC(C)[NH+]1CCN([C@H]2C[NH2+]C[C@H](C(=O)[O-])C2)CC1 ZINC000536959285 330383926 /nfs/dbraw/zinc/38/39/26/330383926.db2.gz MORQVUGGIGPMMK-VXGBXAGGSA-N 1 0 255.362 0.075 10 0 CCAERO C[NH2+]C[C@@H]1CCCN(Cc2nnnn2C(C)C)C1 ZINC000575869296 335126318 /nfs/dbraw/zinc/12/63/18/335126318.db2.gz GZLHEAQXJPAMAE-NSHDSACASA-N 1 0 252.366 0.685 10 0 CCAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)C1 ZINC000174890210 335168533 /nfs/dbraw/zinc/16/85/33/335168533.db2.gz AUWMDLFOFROANK-NWDGAFQWSA-N 1 0 296.415 0.731 10 0 CCAERO [NH3+]C[C@@H]1CC[C@H](Nc2nnnn2-c2ccccc2)C1 ZINC000382456075 336090483 /nfs/dbraw/zinc/09/04/83/336090483.db2.gz JLZGOXKXGAYMQI-MNOVXSKESA-N 1 0 258.329 0.624 10 0 CCAERO Cc1cnc(N2CC[C@@H](N3CC[NH2+]CC3)C2)nc1C ZINC000386632467 336176860 /nfs/dbraw/zinc/17/68/60/336176860.db2.gz GSLSWIMJSRWEAO-CYBMUJFWSA-N 1 0 261.373 0.577 10 0 CCAERO CCN[C@@H](CC[NH+](CCOC)CCOC)C(=O)OC ZINC000062523991 520086595 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519856397 /nfs/dbraw/zinc/85/63/97/519856397.db2.gz DIVFTJSHVUVTLP-HTQZYQBOSA-N 1 0 255.343 0.928 10 0 CCAERO CCCNC(=O)CN(C)C(=O)[C@H]1CCC[C@@H]([NH3+])[C@@H]1C ZINC000055135070 519873662 /nfs/dbraw/zinc/87/36/62/519873662.db2.gz DSSAPDMFACYXPQ-GRYCIOLGSA-N 1 0 269.389 0.735 10 0 CCAERO CCCNC(=O)CN(C)Cc1cccnc1C[NH3+] ZINC000061656731 519874507 /nfs/dbraw/zinc/87/45/07/519874507.db2.gz FDPGFPIIVLVYPH-UHFFFAOYSA-N 1 0 250.346 0.498 10 0 CCAERO CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCS(C)(=O)=O ZINC000054603086 519911275 /nfs/dbraw/zinc/91/12/75/519911275.db2.gz ITFYCWMYCJLLPL-YOGCLGLASA-N 1 0 260.403 0.636 10 0 CCAERO CCC[NH2+]C[C@@H](O)CN1CCN(CC(F)(F)F)CC1 ZINC000061940965 519921917 /nfs/dbraw/zinc/92/19/17/519921917.db2.gz KZKJCYULJLALKH-LLVKDONJSA-N 1 0 283.338 0.527 10 0 CCAERO CC[NH2+][C@@H](C)CC(=O)N1CCC(CC(N)=O)CC1 ZINC000061272609 520061384 /nfs/dbraw/zinc/06/13/84/520061384.db2.gz USMUZALBRHYQMG-JTQLQIEISA-N 1 0 255.362 0.489 10 0 CCAERO CC[NH2+][C@@H](CCN1CCC([NH+](C)C)CC1)C(=O)[O-] ZINC000062449327 520088842 /nfs/dbraw/zinc/08/88/42/520088842.db2.gz PEPQCPOWEYYPLC-LBPRGKRZSA-N 1 0 257.378 0.465 10 0 CCAERO CCN(CC(=O)N(C)C)C(=O)[C@H]1C[C@@H]([NH3+])CC[C@@H]1C ZINC000055128523 520300671 /nfs/dbraw/zinc/30/06/71/520300671.db2.gz WSJWVHIQOMJQSA-SRVKXCTJSA-N 1 0 269.389 0.687 10 0 CCAERO CCCOc1ccc([C@@H](C(N)=O)N2CC[NH2+]CC2)cc1 ZINC000052920226 520412309 /nfs/dbraw/zinc/41/23/09/520412309.db2.gz DRQVNJJJFQPVHB-AWEZNQCLSA-N 1 0 277.368 0.907 10 0 CCAERO CCCCN(CC(N)=O)C(=O)C1(C)CC[NH2+]CC1 ZINC000062840673 520446282 /nfs/dbraw/zinc/44/62/82/520446282.db2.gz AKFCLCMPJHXKIH-UHFFFAOYSA-N 1 0 255.362 0.490 10 0 CCAERO CCCCN(CC(N)=O)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055089911 520448844 /nfs/dbraw/zinc/44/88/44/520448844.db2.gz VIKXUHFWCBWQMJ-MNOVXSKESA-N 1 0 255.362 0.618 10 0 CCAERO CCOC(=O)CNC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061655548 520782668 /nfs/dbraw/zinc/78/26/68/520782668.db2.gz BNVYSBVQQAQYSP-SNVBAGLBSA-N 1 0 257.334 0.285 10 0 CCAERO CCC[C@@]1(C(=O)N(CCOC)CCOC)CC[NH2+]C1 ZINC000062891227 520941124 /nfs/dbraw/zinc/94/11/24/520941124.db2.gz BIWDBSYWCGPNOO-CQSZACIVSA-N 1 0 272.389 0.888 10 0 CCAERO CCOC(=O)[C@@H](CN1CC[NH+]([C@@H](C)CC)CC1)NC ZINC000055070472 521065484 /nfs/dbraw/zinc/06/54/84/521065484.db2.gz QXNFHZYVGBKREO-QWHCGFSZSA-N 1 0 271.405 0.554 10 0 CCAERO CCN(C[C@@H]1CCOC1)C(=O)CN1CCC[NH2+]CC1 ZINC000061272832 521230313 /nfs/dbraw/zinc/23/03/13/521230313.db2.gz SPOUHAOWNMCAKY-ZDUSSCGKSA-N 1 0 269.389 0.167 10 0 CCAERO CCC(CC)(CO)[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC000053070636 521459270 /nfs/dbraw/zinc/45/92/70/521459270.db2.gz SBONQGFQORBVPO-QWHCGFSZSA-N 1 0 275.389 0.684 10 0 CCAERO CCCn1c(SCC[C@@](C)([NH3+])C(=O)OC)n[nH]c1=O ZINC000061607936 521634327 /nfs/dbraw/zinc/63/43/27/521634327.db2.gz PHMVIRDUCPOSRL-LLVKDONJSA-N 1 0 288.373 0.354 10 0 CCAERO C[NH+](C)C[C@H]1CCCN1C[C@@](C)([NH2+]C1CC1)C(=O)[O-] ZINC000061652957 521867997 /nfs/dbraw/zinc/86/79/97/521867997.db2.gz KMPIHHSZEBQVDO-TZMCWYRMSA-N 1 0 269.389 0.608 10 0 CCAERO C[NH+](C)C[C@H]1CCCN1C[C@H]([NH2+]C1CC1)C(=O)[O-] ZINC000061652906 521869722 /nfs/dbraw/zinc/86/97/22/521869722.db2.gz DYIAOSPECGTFNA-NEPJUHHUSA-N 1 0 255.362 0.218 10 0 CCAERO C[NH2+]C(C)(C)C(=O)N1CCN(C(=O)C(C)C)CC1 ZINC000061317095 521933845 /nfs/dbraw/zinc/93/38/45/521933845.db2.gz IMFMAVQBDAZHDG-UHFFFAOYSA-N 1 0 255.362 0.311 10 0 CCAERO COC[C@@H](C)NC(=O)C[NH2+][C@H](C)CN1CCCC1 ZINC000049291021 522227813 /nfs/dbraw/zinc/22/78/13/522227813.db2.gz RRQAGOFMBXPAMF-VXGBXAGGSA-N 1 0 257.378 0.211 10 0 CCAERO CC[C@@H]([NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)C(N)=O ZINC000182860490 522937964 /nfs/dbraw/zinc/93/79/64/522937964.db2.gz WVCDHJOZXHNGHZ-LDYMZIIASA-N 1 0 285.369 0.249 10 0 CCAERO CN(C[C@H]1CCCO1)S(=O)(=O)C1CC[NH2+]CC1 ZINC000049644896 523128465 /nfs/dbraw/zinc/12/84/65/523128465.db2.gz LSSVDNYVJDUXCP-SNVBAGLBSA-N 1 0 262.375 0.179 10 0 CCAERO CC[C@H]1CN(S(=O)(=O)C[C@@H]2CCCC[NH2+]2)CCO1 ZINC000049631127 523297979 /nfs/dbraw/zinc/29/79/79/523297979.db2.gz 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CC(C)[C@@](C)(C[NH3+])NC(=O)CNC(=O)c1ccccn1 ZINC000262636542 535307296 /nfs/dbraw/zinc/30/72/96/535307296.db2.gz PZIDMPQLCAPGAE-CQSZACIVSA-N 1 0 278.356 0.301 10 0 CCAERO CC1(C)CN(S(=O)(=O)C[C@H]2CCOC2)CC[C@@H]1[NH3+] ZINC000261755449 535358020 /nfs/dbraw/zinc/35/80/20/535358020.db2.gz QNFWPBHPEXIQBA-QWRGUYRKSA-N 1 0 276.402 0.412 10 0 CCAERO C[NH2+][C@@H](C)CNC(=O)c1ccccc1N1CCOCC1 ZINC000261720264 536342952 /nfs/dbraw/zinc/34/29/52/536342952.db2.gz KRYFJJNGXNKKPZ-LBPRGKRZSA-N 1 0 277.368 0.861 10 0 CCAERO C[NH2+][C@H](C(=O)N1CC[C@]2(CCOC2)C1)c1cnn(C)c1 ZINC000262504487 536381271 /nfs/dbraw/zinc/38/12/71/536381271.db2.gz IZMHBCZDTBHTEE-JSGCOSHPSA-N 1 0 278.356 0.320 10 0 CCAERO C[NH2+][C@H](C)Cc1noc(-c2c(OC)ncnc2OC)n1 ZINC000261740739 536404902 /nfs/dbraw/zinc/40/49/02/536404902.db2.gz LAPKOPFROOSCEJ-SSDOTTSWSA-N 1 0 279.300 0.694 10 0 CCAERO COC[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)C1CC1 ZINC000262217386 536711869 /nfs/dbraw/zinc/71/18/69/536711869.db2.gz 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0.629 10 0 CCAERO C[C@@H]1CN(Cc2ccc(OCC(N)=O)cc2)C[C@@H]1[NH3+] ZINC000235365124 623219496 /nfs/dbraw/zinc/21/94/96/623219496.db2.gz VHVZZXJQLKHQNQ-MFKMUULPSA-N 1 0 263.341 0.330 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CSc1nncn1C ZINC000177014726 623223458 /nfs/dbraw/zinc/22/34/58/623223458.db2.gz VMSCZHBDEGLHNW-LLVKDONJSA-N 1 0 297.428 0.850 10 0 CCAERO CC(=O)[C@H]1CCC[N@H+](C[C@H](O)CN2CCCC2)C1 ZINC000310971763 623613350 /nfs/dbraw/zinc/61/33/50/623613350.db2.gz COGGVSVCWKLLDU-UONOGXRCSA-N 1 0 254.374 0.744 10 0 CCAERO C[C@H](NS(=O)(=O)CC1CC[NH2+]CC1)[C@H]1CCCO1 ZINC000049643401 624483240 /nfs/dbraw/zinc/48/32/40/624483240.db2.gz RLHLFNODDFHKHR-CMPLNLGQSA-N 1 0 276.402 0.473 10 0 CCAERO CC(C)(C)[C@H](O)C[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000306064275 624594170 /nfs/dbraw/zinc/59/41/70/624594170.db2.gz XOWZYDGAIZZDBI-FRRDWIJNSA-N 1 0 256.390 0.846 10 0 CCAERO Cc1cc(C(=O)N[C@@H]2C[NH+]3CCC2CC3)nc(N(C)C)n1 ZINC000222566818 631571066 /nfs/dbraw/zinc/57/10/66/631571066.db2.gz UDWWGENTMYFRGO-CYBMUJFWSA-N 1 0 289.383 0.675 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cc2ccccc2oc1=O ZINC000262150800 631974077 /nfs/dbraw/zinc/97/40/77/631974077.db2.gz HTNSHPMEYPIPBC-CMPLNLGQSA-N 1 0 288.303 0.103 10 0 CCAERO [NH3+][C@@]1(CO)CCCN(C(=O)NCc2ccccc2)C1 ZINC000899241865 633765842 /nfs/dbraw/zinc/76/58/42/633765842.db2.gz MGOAVQSDHBVLNG-AWEZNQCLSA-N 1 0 263.341 0.682 10 0 CCAERO CC(C)[C@H](c1nc([C@@H]2CN3CCN2CC3)no1)[C@H](C)[NH3+] ZINC000227598919 637030462 /nfs/dbraw/zinc/03/04/62/637030462.db2.gz ODCULVNIYAHJMS-SRVKXCTJSA-N 1 0 279.388 0.829 10 0 CCAERO CN(C)CC(=O)Nc1ccc(OC2CC[NH2+]CC2)nc1 ZINC000169749335 637057797 /nfs/dbraw/zinc/05/77/97/637057797.db2.gz DJFMTATUEHENLP-UHFFFAOYSA-N 1 0 278.356 0.713 10 0 CCAERO C(C[NH2+]C1CC1)CN1CC[C@@H](N2CCOCC2)C1 ZINC000062973810 637190145 /nfs/dbraw/zinc/19/01/45/637190145.db2.gz MHHPBOWDYOMEAR-CQSZACIVSA-N 1 0 253.390 0.535 10 0 CCAERO [NH3+]CCCCCC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000062976788 637191884 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NC(=O)C1CCN(C(=O)[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000089386296 649653586 /nfs/dbraw/zinc/65/35/86/649653586.db2.gz ZFKBYBIIWNKPGT-NWDGAFQWSA-N 1 0 267.373 0.475 10 0 CCAERO COCCN(CCOC)C(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000089388510 649654737 /nfs/dbraw/zinc/65/47/37/649654737.db2.gz DGFKMHZEBCBLFF-STQMWFEESA-N 1 0 272.389 0.873 10 0 CCAERO CC(C)(C)Cc1noc(-c2cn(CC[NH3+])nn2)n1 ZINC000089696349 649662012 /nfs/dbraw/zinc/66/20/12/649662012.db2.gz XWHDQEGBOXXPEM-UHFFFAOYSA-N 1 0 250.306 0.875 10 0 CCAERO O=C1OCC[C@@H]1CC[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000246960674 649696035 /nfs/dbraw/zinc/69/60/35/649696035.db2.gz OKPPLBSLFCLJGX-RYUDHWBXSA-N 1 0 264.329 0.868 10 0 CCAERO CCN1C(=O)CN(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)C1=O ZINC000247007666 649698861 /nfs/dbraw/zinc/69/88/61/649698861.db2.gz IWTZOAZDQAAYAI-VXGBXAGGSA-N 1 0 280.372 0.397 10 0 CCAERO CCCCOC(=O)CN1CC[N@H+](CCOC)[C@@H](C)C1 ZINC000247007606 649698907 /nfs/dbraw/zinc/69/89/07/649698907.db2.gz BXAHEGCVNYPRFH-ZDUSSCGKSA-N 1 0 272.389 0.982 10 0 CCAERO O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000247152933 649704024 /nfs/dbraw/zinc/70/40/24/649704024.db2.gz SDZMDNMAIMDPAA-MGPQQGTHSA-N 1 0 289.379 0.675 10 0 CCAERO COC(=O)c1cncc(N(C)C[C@@H]2CC[N@H+](C)C2)n1 ZINC000091421983 649704447 /nfs/dbraw/zinc/70/44/47/649704447.db2.gz SAHUDRRBJHXEMS-SNVBAGLBSA-N 1 0 264.329 0.651 10 0 CCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2CSC(=O)N2)C1 ZINC000247312079 649706602 /nfs/dbraw/zinc/70/66/02/649706602.db2.gz LZLAGPOHVPCQKT-KXUCPTDWSA-N 1 0 271.386 0.656 10 0 CCAERO O=C1OC2(CCC3(CC2)OCCO3)[C@@H]2C[NH2+]CCN12 ZINC000247948095 649722606 /nfs/dbraw/zinc/72/26/06/649722606.db2.gz ROCRGYZGLAAPHB-JTQLQIEISA-N 1 0 268.313 0.466 10 0 CCAERO COC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)O1 ZINC000248681474 649735829 /nfs/dbraw/zinc/73/58/29/649735829.db2.gz DDKVMQAJRILGDO-XQHKEYJVSA-N 1 0 296.367 0.402 10 0 CCAERO C[C@]1(c2nc([C@H]3CN4CCN3CC4)no2)CCC[NH2+]1 ZINC000094506530 649743838 /nfs/dbraw/zinc/74/38/38/649743838.db2.gz VCTNCJMZUNBNBH-ZWNOBZJWSA-N 1 0 263.345 0.341 10 0 CCAERO CNC(=O)c1ccc(NCc2ccc(CC[NH3+])cc2)nn1 ZINC000095012969 649751515 /nfs/dbraw/zinc/75/15/15/649751515.db2.gz PDUPZFLAWSEWKC-UHFFFAOYSA-N 1 0 285.351 0.950 10 0 CCAERO CO[C@]1(C(=O)[O-])CC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000692470530 976498009 /nfs/dbraw/zinc/49/80/09/976498009.db2.gz AIZGQGVZNNZHAB-DGCLKSJQSA-N 1 0 256.346 0.646 10 0 CCAERO C[C@H]([NH2+]CC1CC(O)C1)c1cccc(S(N)(=O)=O)c1 ZINC000091416091 349461890 /nfs/dbraw/zinc/46/18/90/349461890.db2.gz YJPTYSAQYVMBGN-BMQDGWLCSA-N 1 0 284.381 0.756 10 0 CCAERO COC(=O)c1cncc(N2CCC[C@H](C)[C@H]2C[NH3+])n1 ZINC000091418634 349462014 /nfs/dbraw/zinc/46/20/14/349462014.db2.gz GMYDKSZSOGJJQK-GXSJLCMTSA-N 1 0 264.329 0.827 10 0 CCAERO NC(=O)[C@@H](c1cc(Cl)ccc1F)N1CC[NH2+]CC1 ZINC000082577088 178117174 /nfs/dbraw/zinc/11/71/74/178117174.db2.gz CSRWFHPZFGUIJR-LLVKDONJSA-N 1 0 271.723 0.911 10 0 CCAERO Cn1c2ccc(C(=O)[C@H]3CCC[NH2+]3)cc2n(C)c1=O ZINC000082620977 178132449 /nfs/dbraw/zinc/13/24/49/178132449.db2.gz JPMAVVRSJXHNQH-SNVBAGLBSA-N 1 0 259.309 0.812 10 0 CCAERO C[NH+](C)C[C@@]12COC[C@@H]1CN(c1ncc(F)cn1)C2 ZINC000503717411 282130868 /nfs/dbraw/zinc/13/08/68/282130868.db2.gz NHLCZKVASPLRFJ-GXFFZTMASA-N 1 0 266.320 0.630 10 0 CCAERO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]CC2CC(O)C2)C1 ZINC000094636273 349571331 /nfs/dbraw/zinc/57/13/31/349571331.db2.gz XAPNMRYLWMUQAT-POSLAHMBSA-N 1 0 261.387 0.703 10 0 CCAERO Cc1nccnc1S(=O)(=O)N1CCC(C[NH3+])CC1 ZINC000095068756 349585113 /nfs/dbraw/zinc/58/51/13/349585113.db2.gz IFWVRDMZGQLABH-UHFFFAOYSA-N 1 0 270.358 0.144 10 0 CCAERO Cc1cnc(S(=O)(=O)C2CC[NH2+]CC2)nc1Cl ZINC000095068688 349585622 /nfs/dbraw/zinc/58/56/22/349585622.db2.gz MANUVOAYUSGLTD-UHFFFAOYSA-N 1 0 275.761 0.964 10 0 CCAERO C[C@@H](c1ccccn1)S(=O)(=O)NC[C@@H]1CCC[NH2+]1 ZINC000095068110 349585648 /nfs/dbraw/zinc/58/56/48/349585648.db2.gz FSJNCVGBLROGST-QWRGUYRKSA-N 1 0 269.370 0.814 10 0 CCAERO Cc1ccnc(S(=O)(=O)NC[C@H]2CCC[NH2+]C2)n1 ZINC000095069268 349586704 /nfs/dbraw/zinc/58/67/04/349586704.db2.gz SGRVASYTHAKPDJ-JTQLQIEISA-N 1 0 270.358 0.063 10 0 CCAERO O=S(=O)(c1ncc(Cl)cn1)[C@@H]1CCC[NH2+]C1 ZINC000095069994 349587210 /nfs/dbraw/zinc/58/72/10/349587210.db2.gz LGAAIRKLQIGDCE-MRVPVSSYSA-N 1 0 261.734 0.656 10 0 CCAERO Cc1ccnc(S(=O)(=O)N(C)[C@H]2CCC[NH2+]C2)n1 ZINC000095070615 349587270 /nfs/dbraw/zinc/58/72/70/349587270.db2.gz YPNPNFXUWURGNA-JTQLQIEISA-N 1 0 270.358 0.158 10 0 CCAERO [NH3+][C@@H]1CCCN(S(=O)(=O)c2nc3ccccc3o2)C1 ZINC000095072352 349588305 /nfs/dbraw/zinc/58/83/05/349588305.db2.gz SRYKFWWQLUELSU-SECBINFHSA-N 1 0 281.337 0.940 10 0 CCAERO NN1C(=O)CC2(CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000095937489 349615625 /nfs/dbraw/zinc/61/56/25/349615625.db2.gz KQISMQKNOUEDLK-UHFFFAOYSA-N 1 0 273.336 0.901 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]CCO1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000333618788 295673300 /nfs/dbraw/zinc/67/33/00/295673300.db2.gz ZCGFUBHPAMIUNZ-KCQAQPDRSA-N 1 0 297.399 0.311 10 0 CCAERO Cc1ccc(S(=O)(=O)N2C[C@H]([NH3+])[C@@H](O)C(C)(C)C2)cc1 ZINC000100396094 349657920 /nfs/dbraw/zinc/65/79/20/349657920.db2.gz OXXVELQRWFHQRQ-QWHCGFSZSA-N 1 0 298.408 0.714 10 0 CCAERO COCC[C@H](C)NC(=O)NCCCC[NH+]1CCOCC1 ZINC000101789918 349670280 /nfs/dbraw/zinc/67/02/80/349670280.db2.gz ALNQTPDDRPBLHW-ZDUSSCGKSA-N 1 0 287.404 0.823 10 0 CCAERO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)C(=O)N1CCC(C)CC1 ZINC000105870584 349726353 /nfs/dbraw/zinc/72/63/53/349726353.db2.gz WVPKMTRLZNGBEP-STQMWFEESA-N 1 0 291.399 0.830 10 0 CCAERO CCNC(=O)CC[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000105898781 349727854 /nfs/dbraw/zinc/72/78/54/349727854.db2.gz KMQVUZPQGMYUHH-LLVKDONJSA-N 1 0 251.334 0.441 10 0 CCAERO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000106534504 349731479 /nfs/dbraw/zinc/73/14/79/349731479.db2.gz YIXJMNQWXUUYGO-RDBSUJKOSA-N 1 0 298.431 0.489 10 0 CCAERO CC(=O)N[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106790890 349731969 /nfs/dbraw/zinc/73/19/69/349731969.db2.gz SHODNSSLVPBSTQ-ZYHUDNBSSA-N 1 0 267.373 0.644 10 0 CCAERO O=C([C@@H]1CNC(=O)C1)N1CCN(Cc2ccsc2)CC1 ZINC000110358449 349759963 /nfs/dbraw/zinc/75/99/63/349759963.db2.gz KTQUXIJTTUJDDL-LBPRGKRZSA-N 1 0 293.392 0.528 10 0 CCAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N[C@@H]2CCCNC2=O)C1 ZINC000356853071 282206039 /nfs/dbraw/zinc/20/60/39/282206039.db2.gz RYOZFJFLUWDGQN-GMTAPVOTSA-N 1 0 268.361 0.047 10 0 CCAERO C[NH+](C)C[C@H](NC(=O)[C@@H]1CNC(=O)C1)c1ccccc1 ZINC000110347636 349758454 /nfs/dbraw/zinc/75/84/54/349758454.db2.gz FSCJDCKYVIQSMQ-STQMWFEESA-N 1 0 275.352 0.542 10 0 CCAERO Cc1nn(C)c2ncc(C[NH2+]C[C@@H]3CN(C)CCO3)cc12 ZINC000112838743 349793465 /nfs/dbraw/zinc/79/34/65/349793465.db2.gz NXBCNTZYEPZOGZ-CYBMUJFWSA-N 1 0 289.383 0.697 10 0 CCAERO COC(=O)CCCC[N@@H+]1CC[C@H]2OCCN[C@@H]2C1 ZINC000600707600 362038419 /nfs/dbraw/zinc/03/84/19/362038419.db2.gz BZQHDCFFIHOKAL-VXGBXAGGSA-N 1 0 256.346 0.392 10 0 CCAERO COC(=O)c1cncc(N[C@@H]2CC[C@@H](C)[NH2+]C2)n1 ZINC000600955080 362099715 /nfs/dbraw/zinc/09/97/15/362099715.db2.gz JRRBNMCKMWKIQH-RKDXNWHRSA-N 1 0 250.302 0.816 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cc2c(s1)CCCC2 ZINC000262082491 295692015 /nfs/dbraw/zinc/69/20/15/295692015.db2.gz CNUMNDCRMYODMI-GHMZBOCLSA-N 1 0 280.393 0.937 10 0 CCAERO CNC(=O)[C@@H](C)CN(C)C(=O)C1CCC([NH3+])CC1 ZINC000225551550 581104113 /nfs/dbraw/zinc/10/41/13/581104113.db2.gz ZNEIZKBANOTELH-WHXUTIOJSA-N 1 0 255.362 0.344 10 0 CCAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@H]2CCCn3ncnc32)C1 ZINC000408419511 282262185 /nfs/dbraw/zinc/26/21/85/282262185.db2.gz LCXYUXXSYPRFQJ-QWRGUYRKSA-N 1 0 278.360 0.459 10 0 CCAERO C[NH+](C)[C@H]1CCN(C(=O)N[C@H]2COCC2(C)C)C1 ZINC000334779200 282262701 /nfs/dbraw/zinc/26/27/01/282262701.db2.gz NZAKWOYFGOKKDW-QWRGUYRKSA-N 1 0 255.362 0.757 10 0 CCAERO CC[NH+](CC)CC(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000135297195 136391981 /nfs/dbraw/zinc/39/19/81/136391981.db2.gz MYUSCXMEAGENTK-ZDUSSCGKSA-N 1 0 291.399 0.903 10 0 CCAERO COC(=O)[C@@](C)(NC(=O)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000154348142 290686918 /nfs/dbraw/zinc/68/69/18/290686918.db2.gz TZSZCTOREYNOCO-ZANVPECISA-N 1 0 254.330 0.444 10 0 CCAERO Cc1cnc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)cn1 ZINC000116796282 349873126 /nfs/dbraw/zinc/87/31/26/349873126.db2.gz YYKFVHUJIDUADQ-LLVKDONJSA-N 1 0 264.329 0.188 10 0 CCAERO C[NH+](C)C[C@H]1CN(C(=O)CC(F)(F)F)CCO1 ZINC000116796771 349873217 /nfs/dbraw/zinc/87/32/17/349873217.db2.gz PHDSILZVPVTVFN-QMMMGPOBSA-N 1 0 254.252 0.728 10 0 CCAERO COc1ccc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c(O)c1 ZINC000116978294 349878735 /nfs/dbraw/zinc/87/87/35/349878735.db2.gz JVILXPLUKYCOEJ-LBPRGKRZSA-N 1 0 294.351 0.803 10 0 CCAERO C[NH+](C)C[C@H]1CN(C(=O)NC[C@@H]2CCCO2)CCO1 ZINC000117022228 349880000 /nfs/dbraw/zinc/88/00/00/349880000.db2.gz RQPPOGISGMOZFA-RYUDHWBXSA-N 1 0 271.361 0.137 10 0 CCAERO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2nnc[nH]2)C1 ZINC000119183888 349922889 /nfs/dbraw/zinc/92/28/89/349922889.db2.gz RFUBLWCYJTWEQE-VXGBXAGGSA-N 1 0 277.372 0.680 10 0 CCAERO C[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCCO1 ZINC000333790169 299121134 /nfs/dbraw/zinc/12/11/34/299121134.db2.gz MIXOJXBTCYQUKE-LOWDOPEQSA-N 1 0 267.373 0.805 10 0 CCAERO O=C(Nc1n[nH]cc1Br)[C@@H]1CCC[NH2+]1 ZINC000306239210 201847670 /nfs/dbraw/zinc/84/76/70/201847670.db2.gz JMOPNCQHGHLXFO-LURJTMIESA-N 1 0 259.107 0.863 10 0 CCAERO [NH3+]CCOc1cccc(N2CCCCS2(=O)=O)c1 ZINC000082660110 136510965 /nfs/dbraw/zinc/51/09/65/136510965.db2.gz QOEOWTNPMGRXQX-UHFFFAOYSA-N 1 0 270.354 0.954 10 0 CCAERO CCc1nn(C)cc1CNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000127619731 187320027 /nfs/dbraw/zinc/32/00/27/187320027.db2.gz IESQAZIADDJDQZ-GWCFXTLKSA-N 1 0 264.373 0.987 10 0 CCAERO CN1CCN(C(=O)[C@H]2C[NH2+]CCN2)c2ccccc21 ZINC000104279826 136554360 /nfs/dbraw/zinc/55/43/60/136554360.db2.gz BXKOLADXKMKYKE-LLVKDONJSA-N 1 0 260.341 0.031 10 0 CCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CCCCNC(N)=O ZINC000077729875 136785475 /nfs/dbraw/zinc/78/54/75/136785475.db2.gz YIJRWVWLZLFTIL-GFCCVEGCSA-N 1 0 286.420 0.918 10 0 CCAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)NC[C@]2(O)CCSC2)C1 ZINC000092331508 136805634 /nfs/dbraw/zinc/80/56/34/136805634.db2.gz CQZPRBOQTSUIQP-NQBHXWOUSA-N 1 0 287.429 0.636 10 0 CCAERO [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1ccc(N2CCOCC2)nc1 ZINC000085363323 136794231 /nfs/dbraw/zinc/79/42/31/136794231.db2.gz BOAVEJCETSSGQX-STQMWFEESA-N 1 0 290.367 0.984 10 0 CCAERO COC(=O)[C@@H](C)NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000127948483 136832937 /nfs/dbraw/zinc/83/29/37/136832937.db2.gz XDCFQLMPKRVTTR-MWLCHTKSSA-N 1 0 254.330 0.539 10 0 CCAERO CCCC[C@H](C[NH3+])Nc1ccc(C(=O)NC)nn1 ZINC000130527030 136834293 /nfs/dbraw/zinc/83/42/93/136834293.db2.gz VHAGJSUVYDWMHI-SECBINFHSA-N 1 0 251.334 0.766 10 0 CCAERO CCc1nn(C)cc1CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000168756335 136848479 /nfs/dbraw/zinc/84/84/79/136848479.db2.gz YPEHMXBDMMWGRH-SNVBAGLBSA-N 1 0 250.346 0.598 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)NC(=O)NC(C)(C)C ZINC000252443858 137003254 /nfs/dbraw/zinc/00/32/54/137003254.db2.gz QHPYHYNUEMZENT-NEPJUHHUSA-N 1 0 296.415 0.779 10 0 CCAERO c1nc(NC[C@@H]2C[NH2+]CCO2)cc(N2CCCC2)n1 ZINC000258744395 137005491 /nfs/dbraw/zinc/00/54/91/137005491.db2.gz WJYBZFYRYNQDOS-NSHDSACASA-N 1 0 263.345 0.477 10 0 CCAERO Cc1cc(N2CC[C@@H](C)C[C@H]2C[NH3+])n2ncnc2n1 ZINC000261570231 137008806 /nfs/dbraw/zinc/00/88/06/137008806.db2.gz OHIXANAMGREDJF-KOLCDFICSA-N 1 0 260.345 0.996 10 0 CCAERO CCC(=O)c1ccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262348344 137039199 /nfs/dbraw/zinc/03/91/99/137039199.db2.gz UHIVHQXBJYSVTM-TZMCWYRMSA-N 1 0 276.336 0.589 10 0 CCAERO CCC(=O)c1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262348336 137039467 /nfs/dbraw/zinc/03/94/67/137039467.db2.gz UHIVHQXBJYSVTM-JSGCOSHPSA-N 1 0 276.336 0.589 10 0 CCAERO O=C(CCOCc1ccccc1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262365924 137040483 /nfs/dbraw/zinc/04/04/83/137040483.db2.gz VRGHCBRMCCSDAE-KGLIPLIRSA-N 1 0 278.352 0.290 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cc(F)cc(Cl)c1 ZINC000262380831 137041069 /nfs/dbraw/zinc/04/10/69/137041069.db2.gz WZPIDEGBPDVVID-KCJUWKMLSA-N 1 0 272.707 0.789 10 0 CCAERO CCc1ccsc1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262413403 137042508 /nfs/dbraw/zinc/04/25/08/137042508.db2.gz ZMMBABGVVWYDCQ-UWVGGRQHSA-N 1 0 254.355 0.621 10 0 CCAERO CC[C@H](CO)N1CCN(C(=O)[C@@H]([NH3+])[C@@H](C)CC)CC1 ZINC000262515929 137045550 /nfs/dbraw/zinc/04/55/50/137045550.db2.gz CPPJLTRAORXZIW-XQQFMLRXSA-N 1 0 271.405 0.275 10 0 CCAERO C[C@H](C(=O)NCc1ccc(-c2nn[nH]n2)cc1)C1C[NH2+]C1 ZINC000262610498 137047985 /nfs/dbraw/zinc/04/79/85/137047985.db2.gz YPTOSOMCHOWYPV-VIFPVBQESA-N 1 0 286.339 0.338 10 0 CCAERO CCC[C@@H](NC(N)=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000262611815 137048077 /nfs/dbraw/zinc/04/80/77/137048077.db2.gz XUCRQTGLKSTAQX-GHMZBOCLSA-N 1 0 270.377 0.329 10 0 CCAERO C[C@@H](NC(N)=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000262602746 137048084 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Cc1nnc([C@@H]2CN(C(=O)[C@@H]3CCC[C@@H]3C[NH3+])CCO2)[nH]1 ZINC000261874789 137023858 /nfs/dbraw/zinc/02/38/58/137023858.db2.gz SRJSIUIVVLRBOT-UTUOFQBUSA-N 1 0 293.371 0.388 10 0 CCAERO C[C@H]1C[C@H](C[NH3+])CN1C(=O)CN1CCCCC1=O ZINC000261912534 137025506 /nfs/dbraw/zinc/02/55/06/137025506.db2.gz HRSGGPOJDQDAPI-WDEREUQCSA-N 1 0 253.346 0.195 10 0 CCAERO C[C@H](C(=O)N1CCNC(=O)[C@@H]1c1ccccc1)C1C[NH2+]C1 ZINC000262178165 137029816 /nfs/dbraw/zinc/02/98/16/137029816.db2.gz KTVACTUXONXMMX-FZMZJTMJSA-N 1 0 287.363 0.542 10 0 CCAERO COCCN1C[C@H](C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)CC1=O ZINC000262187464 137030246 /nfs/dbraw/zinc/03/02/46/137030246.db2.gz ZMHNMWJRMVEPSN-NEPJUHHUSA-N 1 0 297.399 0.067 10 0 CCAERO O[C@@H]1C[NH2+]C[C@H]1CNCc1ccc(OC(F)F)cc1 ZINC000262198081 137030490 /nfs/dbraw/zinc/03/04/90/137030490.db2.gz ZTGZYWWAAAJARQ-ZYHUDNBSSA-N 1 0 272.295 0.958 10 0 CCAERO COCCOc1ccccc1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262214052 137031495 /nfs/dbraw/zinc/03/14/95/137031495.db2.gz IZQWVDBPTYURKL-AAEUAGOBSA-N 1 0 294.351 0.022 10 0 CCAERO CCOc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1OC ZINC000262229124 137031756 /nfs/dbraw/zinc/03/17/56/137031756.db2.gz KDBJTXDGAASWHT-NWDGAFQWSA-N 1 0 294.351 0.404 10 0 CCAERO COC[C@@H]([NH3+])C(=O)NC[C@@H](O)c1ccc2ccccc2c1 ZINC000262227669 137031838 /nfs/dbraw/zinc/03/18/38/137031838.db2.gz GKFVZAWCPZJXFJ-HUUCEWRRSA-N 1 0 288.347 0.963 10 0 CCAERO O=C(CCSCc1ccccn1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262226306 137031914 /nfs/dbraw/zinc/03/19/14/137031914.db2.gz JXSVQXRLTRZCMB-DGCLKSJQSA-N 1 0 295.408 0.401 10 0 CCAERO Cc1c(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)oc2c1C(=O)CCC2 ZINC000262227627 137032163 /nfs/dbraw/zinc/03/21/63/137032163.db2.gz KBIAVWHUMBPQDU-ONGXEEELSA-N 1 0 292.335 0.417 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cccc(Br)c1 ZINC000262280084 137034617 /nfs/dbraw/zinc/03/46/17/137034617.db2.gz NSZWMRINTDNWQT-MWLCHTKSSA-N 1 0 299.168 0.759 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)C(F)(F)c1ccccc1 ZINC000262296817 137036164 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Cc1noc(Cl)c1CCC(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262330410 137037950 /nfs/dbraw/zinc/03/79/50/137037950.db2.gz SGFRAHQYXWMYKY-SCZZXKLOSA-N 1 0 287.747 0.266 10 0 CCAERO Cn1ccnc1[C@H](NC(=O)C1C[NH2+]C1)c1cccc(F)c1 ZINC000263256902 137061635 /nfs/dbraw/zinc/06/16/35/137061635.db2.gz FSSIABCQWKACGU-CYBMUJFWSA-N 1 0 288.326 0.984 10 0 CCAERO COc1cc(OC)c(CNC[C@H]2C[NH2+]C[C@@H]2O)c(OC)c1 ZINC000263247558 137061772 /nfs/dbraw/zinc/06/17/72/137061772.db2.gz PMNSZVKKKIFOKB-GWCFXTLKSA-N 1 0 296.367 0.382 10 0 CCAERO COCc1cc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)no1 ZINC000263294170 137062985 /nfs/dbraw/zinc/06/29/85/137062985.db2.gz WBRODJJPNIQJPV-JTQLQIEISA-N 1 0 279.300 0.447 10 0 CCAERO C[C@H](O)C[C@H](CNC(=O)C1C[NH2+]C1)c1ccccc1 ZINC000263299359 137063428 /nfs/dbraw/zinc/06/34/28/137063428.db2.gz NEKDJZQPSMDBJS-WCQYABFASA-N 1 0 262.353 0.877 10 0 CCAERO O=C(NCc1cc(Cl)c2c(c1)OCCO2)C1C[NH2+]C1 ZINC000263298994 137063444 /nfs/dbraw/zinc/06/34/44/137063444.db2.gz NAVCJGDMBFOBTA-UHFFFAOYSA-N 1 0 282.727 0.947 10 0 CCAERO COc1cc(OC)cc(OCCCNC(=O)C2C[NH2+]C2)c1 ZINC000263337181 137064058 /nfs/dbraw/zinc/06/40/58/137064058.db2.gz WOULDINGROZASU-UHFFFAOYSA-N 1 0 294.351 0.808 10 0 CCAERO COc1c(C[NH2+]C[C@@](C)(O)C2CC2)c(C)nn1C ZINC000310955137 137073749 /nfs/dbraw/zinc/07/37/49/137073749.db2.gz MZSAVZRZIPJQKV-CYBMUJFWSA-N 1 0 253.346 0.988 10 0 CCAERO O=C(NC[C@@H]1CCC[C@H]1O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000332998148 137082713 /nfs/dbraw/zinc/08/27/13/137082713.db2.gz QDUJOCUCEKGAGB-NWANDNLSSA-N 1 0 296.411 0.907 10 0 CCAERO Cn1cccc(-c2nc([C@H]3C[NH2+]CCN3C)no2)c1=O ZINC000263187835 137060144 /nfs/dbraw/zinc/06/01/44/137060144.db2.gz HOEWTCYEMYQVED-SNVBAGLBSA-N 1 0 275.312 0.011 10 0 CCAERO CCOc1ccc(CNC[C@H]2C[NH2+]C[C@@H]2O)cc1OC ZINC000263217838 137060306 /nfs/dbraw/zinc/06/03/06/137060306.db2.gz LEYKDJSWOBQFDP-STQMWFEESA-N 1 0 280.368 0.764 10 0 CCAERO CCCN(C)Cc1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263219387 137060443 /nfs/dbraw/zinc/06/04/43/137060443.db2.gz LOGHJUZYNWKXSU-JTQLQIEISA-N 1 0 253.350 0.488 10 0 CCAERO CCOCCOCc1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263213624 137060493 /nfs/dbraw/zinc/06/04/93/137060493.db2.gz KODGXZGUXSBRJC-JTQLQIEISA-N 1 0 270.333 0.199 10 0 CCAERO Cc1nnc2ccc(-c3nc([C@@H]4C[NH2+]CCN4C)no3)cn12 ZINC000263243053 137061265 /nfs/dbraw/zinc/06/12/65/137061265.db2.gz OWCYPZXTNBSVJJ-NSHDSACASA-N 1 0 299.338 0.664 10 0 CCAERO CC[NH+](CC)[C@@H](C)CNC(=O)c1cnc(N)nc1OC ZINC000033886058 348148093 /nfs/dbraw/zinc/14/80/93/348148093.db2.gz JBRWLKQPDUMHPD-VIFPVBQESA-N 1 0 281.360 0.528 10 0 CCAERO O=C(Nc1ccc2nccnc2c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000037765732 348202302 /nfs/dbraw/zinc/20/23/02/348202302.db2.gz IKGDSGHFPPGWAJ-SKDRFNHKSA-N 1 0 258.281 0.291 10 0 CCAERO CC(C)(C)[NH+]1CCC(NC(=O)C2=NNC(=O)CC2)CC1 ZINC000037791666 348203904 /nfs/dbraw/zinc/20/39/04/348203904.db2.gz XIESWKIZYLTSNH-UHFFFAOYSA-N 1 0 280.372 0.632 10 0 CCAERO CCN(CCc1ccccc1)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000037815024 348209064 /nfs/dbraw/zinc/20/90/64/348209064.db2.gz KZOJHEXQFWHOEO-KGLIPLIRSA-N 1 0 262.353 0.800 10 0 CCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N(C)Cc2cnc(C)s2)C1 ZINC000040635972 348240254 /nfs/dbraw/zinc/24/02/54/348240254.db2.gz VUDTUQRSHFUMOP-MWLCHTKSSA-N 1 0 269.370 0.787 10 0 CCAERO CC1CC[NH+](CCNC(=O)C2=NNC(=O)CC2)CC1 ZINC000040436908 348233732 /nfs/dbraw/zinc/23/37/32/348233732.db2.gz AMGSXSPVEBOWGF-UHFFFAOYSA-N 1 0 266.345 0.101 10 0 CCAERO [NH3+]C[C@H]1CCCN(CN2C(=O)c3ccccc3C2=O)C1 ZINC000044530665 348321734 /nfs/dbraw/zinc/32/17/34/348321734.db2.gz SSJQLJWOLRMQBZ-LLVKDONJSA-N 1 0 273.336 0.911 10 0 CCAERO C[C@H]([NH3+])C1CCN(c2ccc(S(N)(=O)=O)cn2)CC1 ZINC000104129067 185901654 /nfs/dbraw/zinc/90/16/54/185901654.db2.gz RBTKWOMHCXDOQL-VIFPVBQESA-N 1 0 284.385 0.293 10 0 CCAERO C[C@@H](C[NH2+]C[C@H](O)COCc1ccco1)N(C)C ZINC000044317157 348318932 /nfs/dbraw/zinc/31/89/32/348318932.db2.gz RUAYHBPUKLXLKM-RYUDHWBXSA-N 1 0 256.346 0.697 10 0 CCAERO C[C@@H]1C[NH2+]CCN1CN1C(=O)c2ccccc2C1=O ZINC000054373280 348555332 /nfs/dbraw/zinc/55/53/32/348555332.db2.gz LKMOCLBKAYELIL-SNVBAGLBSA-N 1 0 259.309 0.534 10 0 CCAERO OCCOCC[NH2+]C[C@@H](O)COC1CCCCC1 ZINC000054615491 348560964 /nfs/dbraw/zinc/56/09/64/348560964.db2.gz GKWMYAYVWRQWAE-GFCCVEGCSA-N 1 0 261.362 0.295 10 0 CCAERO O=C(Nc1cc(F)c(F)cc1F)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000061094365 348650738 /nfs/dbraw/zinc/65/07/38/348650738.db2.gz PESUQWCEXGMQPK-FWOIEVBISA-N 1 0 260.215 0.765 10 0 CCAERO O=C(CN1CCCC1=O)N1CCC([NH+]2CCCC2)CC1 ZINC000058911131 348634503 /nfs/dbraw/zinc/63/45/03/348634503.db2.gz SBCMZWXLDHGBMQ-UHFFFAOYSA-N 1 0 279.384 0.696 10 0 CCAERO O=C(CC[C@@H]1CCC[NH2+]C1)N1CC[C@H](N2CCOCC2)C1 ZINC000062976754 348674180 /nfs/dbraw/zinc/67/41/80/348674180.db2.gz RDDBJNDLURYPOO-GJZGRUSLSA-N 1 0 295.427 0.699 10 0 CCAERO O=C(C1=COCCO1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063198792 348683472 /nfs/dbraw/zinc/68/34/72/348683472.db2.gz HIXWKPJTYLEBGY-LBPRGKRZSA-N 1 0 266.341 0.865 10 0 CCAERO COCCN=C1Nc2ccccc2CN[C@@]12CC[NH2+]C2 ZINC000065265843 348709009 /nfs/dbraw/zinc/70/90/09/348709009.db2.gz YISIKURUICYLTD-OAHLLOKOSA-N 1 0 274.368 0.788 10 0 CCAERO COC(=O)[C@H]1CN(CC[NH+]2CCCC2)CCC1=O ZINC000070460851 348891297 /nfs/dbraw/zinc/89/12/97/348891297.db2.gz RRPLSDSULIIFBR-NSHDSACASA-N 1 0 254.330 0.146 10 0 CCAERO COCc1cc(N2CC[NH2+]CC2)nc(-c2cnccn2)n1 ZINC000070451654 348890099 /nfs/dbraw/zinc/89/00/99/348890099.db2.gz PQTSGULGKPOXOJ-UHFFFAOYSA-N 1 0 286.339 0.490 10 0 CCAERO C[C@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)C(=O)N(C)C ZINC000079481394 349178889 /nfs/dbraw/zinc/17/88/89/349178889.db2.gz GEJQWYSZDGJSLM-LBPRGKRZSA-N 1 0 296.415 0.733 10 0 CCAERO C[C@H]1CCC[N@H+](CCNC(=O)N2CCO[C@H](CO)C2)C1 ZINC000078889554 349158139 /nfs/dbraw/zinc/15/81/39/349158139.db2.gz XAAQNPJWQBSWMG-STQMWFEESA-N 1 0 285.388 0.121 10 0 CCAERO CN(CCC[NH3+])C(=O)COc1ccccc1CO ZINC000104330390 185971477 /nfs/dbraw/zinc/97/14/77/185971477.db2.gz GSVBGIFLAJJACV-UHFFFAOYSA-N 1 0 252.314 0.365 10 0 CCAERO 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1 0 299.415 0.510 10 0 CCAERO C[C@@H]1OCC[C@H]1NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000408402826 358075532 /nfs/dbraw/zinc/07/55/32/358075532.db2.gz BJJGUMUKZHCHOU-RWMBFGLXSA-N 1 0 299.415 0.650 10 0 CCAERO CNC(=O)[C@@H]1CCCN1C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000155881019 283394981 /nfs/dbraw/zinc/39/49/81/283394981.db2.gz BZVYRUXFYQJGLO-OLZOCXBDSA-N 1 0 296.415 0.781 10 0 CCAERO Cc1ccccc1N1CCN(CCNC(N)=[NH2+])CC1 ZINC000584604917 359178717 /nfs/dbraw/zinc/17/87/17/359178717.db2.gz FQLLYWNTUCWSAX-UHFFFAOYSA-N 1 0 261.373 0.600 10 0 CCAERO CCCCOC[C@H](O)C[NH2+][C@H]1CCN(C(C)C)C1=O ZINC000562999361 291180277 /nfs/dbraw/zinc/18/02/77/291180277.db2.gz LBEZNRBQHBRRQR-OLZOCXBDSA-N 1 0 272.389 0.763 10 0 CCAERO COC[C@@]1(C(=O)NCCCCCC(=O)OC)CCC[NH2+]1 ZINC000591592035 359603117 /nfs/dbraw/zinc/60/31/17/359603117.db2.gz LAVLGNGARATMTA-CQSZACIVSA-N 1 0 286.372 0.605 10 0 CCAERO COC(=O)C[C@H]1CN(C(=O)C2CCC([NH3+])CC2)CCO1 ZINC000592560165 359888588 /nfs/dbraw/zinc/88/85/88/359888588.db2.gz XXDUQSWSWZFCAY-MCIGGMRASA-N 1 0 284.356 0.294 10 0 CCAERO Cn1[nH]c(CN2CCC[C@H](n3cccn3)C2)nc1=O ZINC000329583936 202396271 /nfs/dbraw/zinc/39/62/71/202396271.db2.gz LVXIBMNSWUOCLR-JTQLQIEISA-N 1 0 262.317 0.142 10 0 CCAERO COC(=O)[C@@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000593911741 360207517 /nfs/dbraw/zinc/20/75/17/360207517.db2.gz JRFCMSUNBJLMDF-MNOVXSKESA-N 1 0 254.330 0.540 10 0 CCAERO COC(=O)[C@@H]1CCCN(C(=O)c2ccc(C[NH3+])o2)C1 ZINC000593912026 360208128 /nfs/dbraw/zinc/20/81/28/360208128.db2.gz RWPRAANOKCZKIH-SECBINFHSA-N 1 0 266.297 0.764 10 0 CCAERO COC(=O)[C@H]1CCCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000593912019 360208337 /nfs/dbraw/zinc/20/83/37/360208337.db2.gz RTNOETLPQYUDTL-WOPDTQHZSA-N 1 0 268.357 0.773 10 0 CCAERO [NH3+][C@@H]1CCC[C@H]1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000085375097 283584204 /nfs/dbraw/zinc/58/42/04/283584204.db2.gz GQFXSIAHFKICES-YNEHKIRRSA-N 1 0 267.373 0.047 10 0 CCAERO COc1ccc(OCCC[N@@H+]2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000179173414 189174544 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O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCS(=O)CC1 ZINC000219734304 296069180 /nfs/dbraw/zinc/06/91/80/296069180.db2.gz LUXBMDUZIAFJKE-SRVKXCTJSA-N 1 0 270.398 0.498 10 0 CCAERO COc1ccc(S(=O)(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000631967224 370795495 /nfs/dbraw/zinc/79/54/95/370795495.db2.gz DPGCAAISYBLONZ-MNOVXSKESA-N 1 0 284.381 0.911 10 0 CCAERO C[C@@H]1CN(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)C[C@@H]1C[NH3+] ZINC000631967253 370795746 /nfs/dbraw/zinc/79/57/46/370795746.db2.gz FJJNPIFNFUEZIN-XQHKEYJVSA-N 1 0 289.445 0.736 10 0 CCAERO C[NH+](C)[C@@H]1COCCN(CCNC(=O)OC(C)(C)C)C1 ZINC000616663822 365415608 /nfs/dbraw/zinc/41/56/08/365415608.db2.gz MGMBTCWGWYDCAP-LBPRGKRZSA-N 1 0 287.404 0.774 10 0 CCAERO [NH3+]CCN1CCOC[C@H](c2ccccc2CO)C1 ZINC000616664615 365417460 /nfs/dbraw/zinc/41/74/60/365417460.db2.gz ZRXIVJZNVNMBLY-CYBMUJFWSA-N 1 0 250.342 0.553 10 0 CCAERO CCOC(=O)c1ccc([C@@H]2CN(CCO)CC[NH2+]2)cc1 ZINC000616633575 365391622 /nfs/dbraw/zinc/39/16/22/365391622.db2.gz CMDYROXUGILGSO-AWEZNQCLSA-N 1 0 278.352 0.802 10 0 CCAERO CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@H]1c1cn[nH]c1 ZINC000616635244 365394169 /nfs/dbraw/zinc/39/41/69/365394169.db2.gz ASWGSKSSRCPTCV-LBPRGKRZSA-N 1 0 295.387 0.881 10 0 CCAERO COC(=O)N1CC[NH2+]C[C@@H]1CCNC(=O)OC(C)(C)C ZINC000616637111 365398108 /nfs/dbraw/zinc/39/81/08/365398108.db2.gz SKWMMXOYHJYTRS-JTQLQIEISA-N 1 0 287.360 0.941 10 0 CCAERO CS(=O)(=O)[C@H]1c2ccccc2CCN1CC[NH3+] ZINC000616586543 365375012 /nfs/dbraw/zinc/37/50/12/365375012.db2.gz TWYVVANBFJWXQV-LBPRGKRZSA-N 1 0 254.355 0.547 10 0 CCAERO C[NH+](C)[C@H]1CCN(S(N)(=O)=O)c2ccccc21 ZINC000616589053 365376537 /nfs/dbraw/zinc/37/65/37/365376537.db2.gz PEMINRIZMXFZRX-JTQLQIEISA-N 1 0 255.343 0.703 10 0 CCAERO [NH3+]CC[C@H]1COCCN(S(=O)(=O)c2ccccc2)C1 ZINC000616591986 365376713 /nfs/dbraw/zinc/37/67/13/365376713.db2.gz BGUVTWXLEXXUKN-GFCCVEGCSA-N 1 0 284.381 0.673 10 0 CCAERO [NH3+]C[C@H]1CCOCCN1S(=O)(=O)c1ccccc1 ZINC000616598134 365378532 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CO[C@@H]1CN(CC(=O)NC2CCCC2)[C@](C)(C[NH3+])C1 ZINC000630355175 370058336 /nfs/dbraw/zinc/05/83/36/370058336.db2.gz FLFCCHZWEQREHY-JSGCOSHPSA-N 1 0 269.389 0.483 10 0 CCAERO CO[C@@H]1CN(CC(=O)N2CCCC[C@@H]2C)[C@](C)(C[NH3+])C1 ZINC000630358931 370062123 /nfs/dbraw/zinc/06/21/23/370062123.db2.gz CXTFKRBHXJSAPS-YDHLFZDLSA-N 1 0 283.416 0.826 10 0 CCAERO CO[C@H]1CN(S(=O)(=O)CCC(C)C)[C@](C)(C[NH3+])C1 ZINC000630358754 370062285 /nfs/dbraw/zinc/06/22/85/370062285.db2.gz JEOSWMDDKXOZBE-NEPJUHHUSA-N 1 0 278.418 0.800 10 0 CCAERO CCn1nc(C)cc1C(=O)N1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630365958 370066865 /nfs/dbraw/zinc/06/68/65/370066865.db2.gz JHOSAQRPDABFOJ-SMDDNHRTSA-N 1 0 280.372 0.790 10 0 CCAERO CO[C@H]1CN(S(=O)(=O)N2CCCCC2)[C@](C)(C[NH3+])C1 ZINC000630366232 370067572 /nfs/dbraw/zinc/06/75/72/370067572.db2.gz WXCWWFINXUCWMI-NEPJUHHUSA-N 1 0 291.417 0.155 10 0 CCAERO CO[C@H]1CN(C(=O)c2cc(C)n[nH]2)[C@](C)(C[NH3+])C1 ZINC000630367595 370067924 /nfs/dbraw/zinc/06/79/24/370067924.db2.gz 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UTNPLSDQNXSHNS-NSHDSACASA-N 1 0 279.388 0.961 10 0 CCAERO C[C@@H]1CN(C(=O)[C@H]2COCCN2C2CCCC2)C[C@@H]1[NH3+] ZINC000333348245 389409759 /nfs/dbraw/zinc/40/97/59/389409759.db2.gz ZUUDXEGBFUZKBB-KWCYVHTRSA-N 1 0 281.400 0.435 10 0 CCAERO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCOC[C@@H]1C(N)=O ZINC000408454831 389352607 /nfs/dbraw/zinc/35/26/07/389352607.db2.gz CEQZENRZQPSUDO-CHWSQXEVSA-N 1 0 269.389 0.435 10 0 CCAERO CC[C@H]1COCCN1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333497300 389415327 /nfs/dbraw/zinc/41/53/27/389415327.db2.gz FACDOVSGGVSCRU-NEPJUHHUSA-N 1 0 255.362 0.949 10 0 CCAERO CN(C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCNC1=O ZINC000332752386 389365151 /nfs/dbraw/zinc/36/51/51/389365151.db2.gz BYUZBVASHVLPJV-GRYCIOLGSA-N 1 0 280.372 0.143 10 0 CCAERO C[C@@H]1C[C@@H]1NC(=O)NCC(C)(C)N1CCOCC1 ZINC000170836809 389465025 /nfs/dbraw/zinc/46/50/25/389465025.db2.gz KGGIFGOEAMDEKJ-MNOVXSKESA-N 1 0 255.362 0.805 10 0 CCAERO NS(=O)(=O)CCC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000171552996 389475970 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C[C@H]1C[NH2+]CCN1c1ncnc2c1ncn2C1CC1 ZINC000333617282 389436643 /nfs/dbraw/zinc/43/66/43/389436643.db2.gz YWQRQCFRLSTWAX-VIFPVBQESA-N 1 0 258.329 0.959 10 0 CCAERO c1nc(NC[C@H]2C[NH2+]CCO2)cc(N2CCCCC2)n1 ZINC000333705718 389440686 /nfs/dbraw/zinc/44/06/86/389440686.db2.gz RMLAJMOYTKAWSH-GFCCVEGCSA-N 1 0 277.372 0.867 10 0 CCAERO [NH3+]Cc1cn(CC(=O)N[C@H]2CCCc3ccccc32)nn1 ZINC000167379380 389444669 /nfs/dbraw/zinc/44/46/69/389444669.db2.gz SLNMGAUCVNXJNN-AWEZNQCLSA-N 1 0 285.351 0.931 10 0 CCAERO Cc1ccccc1CCNC(=O)Cn1cc(C[NH3+])nn1 ZINC000167481095 389445729 /nfs/dbraw/zinc/44/57/29/389445729.db2.gz CPWBUDIPERWXME-UHFFFAOYSA-N 1 0 273.340 0.404 10 0 CCAERO c1cnn(C[C@H]2C[N@H+](CCCN3CCOCC3)CCO2)c1 ZINC000173694239 389507391 /nfs/dbraw/zinc/50/73/91/389507391.db2.gz LGLJCWNNSGIEBM-OAHLLOKOSA-N 1 0 294.399 0.306 10 0 CCAERO COCCN1C(=O)C[C@@H](C[NH2+]C(C)C)[C@@H]1c1cnn(C)c1 ZINC000275593622 389512680 /nfs/dbraw/zinc/51/26/80/389512680.db2.gz PWHAPLMKZZRVTA-SWLSCSKDSA-N 1 0 294.399 0.954 10 0 CCAERO CC[C@H](O)C[NH+]1CCN(C[C@H](O)COCC(C)C)CC1 ZINC000174090638 389514922 /nfs/dbraw/zinc/51/49/22/389514922.db2.gz UOBJTZKKQCIRDH-GJZGRUSLSA-N 1 0 288.432 0.408 10 0 CCAERO COCCC[N@H+](C)CCNC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000174954233 389532520 /nfs/dbraw/zinc/53/25/20/389532520.db2.gz YUZXQHVDJMZCPZ-STQMWFEESA-N 1 0 287.404 0.821 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)c1nccn(C)c1=O ZINC000175167491 389536715 /nfs/dbraw/zinc/53/67/15/389536715.db2.gz UWMIYJMRXJCNEA-NSHDSACASA-N 1 0 250.346 0.701 10 0 CCAERO CC(=O)N1CC[C@@H](C(=O)NCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000175994856 389551686 /nfs/dbraw/zinc/55/16/86/389551686.db2.gz QYEFXJGHEQNZJS-TZMCWYRMSA-N 1 0 281.400 0.703 10 0 CCAERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NCC(=O)N(C)C ZINC000335403232 389552573 /nfs/dbraw/zinc/55/25/73/389552573.db2.gz FCLKDSFANJWHHE-NWDGAFQWSA-N 1 0 282.388 0.343 10 0 CCAERO C[C@@H]1CC(C)(C)CN1C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335405373 389553801 /nfs/dbraw/zinc/55/38/01/389553801.db2.gz 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C[C@@H]1[C@@H](O)CCC[N@@H+]1CCCS(=O)(=O)N(C)C ZINC000448549080 389986588 /nfs/dbraw/zinc/98/65/88/389986588.db2.gz PDEUZCRRSGDRPU-MNOVXSKESA-N 1 0 264.391 0.113 10 0 CCAERO Fc1ccc(OCCN2CCO[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000420407518 389998165 /nfs/dbraw/zinc/99/81/65/389998165.db2.gz ULNCMYBNJDEEKN-UONOGXRCSA-N 1 0 266.316 0.877 10 0 CCAERO C[C@@H](NC(=O)c1ccco1)C(=O)N1CC[NH2+]CC1(C)C ZINC000647840273 390187821 /nfs/dbraw/zinc/18/78/21/390187821.db2.gz ZJXPTLDZCFNDAE-SNVBAGLBSA-N 1 0 279.340 0.608 10 0 CCAERO O=S(=O)(CC1CC[NH2+]CC1)c1ccc(Cl)nn1 ZINC000095069941 184931899 /nfs/dbraw/zinc/93/18/99/184931899.db2.gz WWAXYRUJDHASQG-UHFFFAOYSA-N 1 0 275.761 0.903 10 0 CCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)C1CCN(C(=O)N(C)C)CC1 ZINC000644147279 390146317 /nfs/dbraw/zinc/14/63/17/390146317.db2.gz MOURKGUPWUGVQI-ZYHUDNBSSA-N 1 0 282.388 0.328 10 0 CCAERO CS(=O)(=O)CC1(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000579355003 390164794 /nfs/dbraw/zinc/16/47/94/390164794.db2.gz 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ZINC000643618085 390473563 /nfs/dbraw/zinc/47/35/63/390473563.db2.gz BIONHIIHEPDRNQ-OAHLLOKOSA-N 1 0 292.379 0.898 10 0 CCAERO O=C(NCCc1ccccc1F)[C@H]1C[NH2+]CCOC1 ZINC000643620737 390474533 /nfs/dbraw/zinc/47/45/33/390474533.db2.gz KVTSBOLEJNTJIF-LBPRGKRZSA-N 1 0 266.316 0.720 10 0 CCAERO COC[C@]1(C(=O)NCC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000643627042 390477572 /nfs/dbraw/zinc/47/75/72/390477572.db2.gz ISDRGPOWLCWMAD-AAEUAGOBSA-N 1 0 256.346 0.440 10 0 CCAERO COC[C@]1(C(=O)NCc2scnc2C)CCC[NH2+]1 ZINC000649321901 390580009 /nfs/dbraw/zinc/58/00/09/390580009.db2.gz USRCETIJASNMFP-LBPRGKRZSA-N 1 0 269.370 0.836 10 0 CCAERO CO[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH2+]CCOC2)C1(C)C ZINC000643728490 390519697 /nfs/dbraw/zinc/51/96/97/390519697.db2.gz DELKKFQRHMETTM-HBNTYKKESA-N 1 0 256.346 0.152 10 0 CCAERO COCCC1(C(=O)N[C@@H]2CCO[C@@H]2C)CC[NH2+]CC1 ZINC000643768132 390539058 /nfs/dbraw/zinc/53/90/58/390539058.db2.gz UJQQMOQEAZMCFK-VXGBXAGGSA-N 1 0 270.373 0.686 10 0 CCAERO CNC(=O)c1cccc(NC(=O)[C@H]2C[NH2+]CCOC2)c1 ZINC000643773677 390540326 /nfs/dbraw/zinc/54/03/26/390540326.db2.gz NQUSPMDOKVHNAF-NSHDSACASA-N 1 0 277.324 0.221 10 0 CCAERO COC[C@@]1(C(=O)N[C@@H]2CCCOCC2)CCC[NH2+]1 ZINC000643781289 390546343 /nfs/dbraw/zinc/54/63/43/390546343.db2.gz OTGKNRVGEIOAKD-DGCLKSJQSA-N 1 0 256.346 0.440 10 0 CCAERO CCOC[C@@H](NC(=O)[C@@H]1C[NH2+]CCOC1)C(C)C ZINC000643781047 390547118 /nfs/dbraw/zinc/54/71/18/390547118.db2.gz FEEVUAAYYBODAR-VXGBXAGGSA-N 1 0 258.362 0.400 10 0 CCAERO COC[C@]1(C(=O)NCCc2cscn2)CCC[NH2+]1 ZINC000649285371 390550481 /nfs/dbraw/zinc/55/04/81/390550481.db2.gz SJTQUYLLTMVSPF-LBPRGKRZSA-N 1 0 269.370 0.570 10 0 CCAERO CN(CCc1nccs1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643788842 390552089 /nfs/dbraw/zinc/55/20/89/390552089.db2.gz ILCGTVWWQNRLAK-SNVBAGLBSA-N 1 0 269.370 0.380 10 0 CCAERO COC[C@@]1(C(=O)NCc2ccc(=O)[nH]c2)CCC[NH2+]1 ZINC000649337373 390593434 /nfs/dbraw/zinc/59/34/34/390593434.db2.gz GKCHBERVQWBKJT-CYBMUJFWSA-N 1 0 265.313 0.172 10 0 CCAERO COC[C@]1(C(=O)N(C)CCc2ccncc2)CCC[NH2+]1 ZINC000649354284 390603981 /nfs/dbraw/zinc/60/39/81/390603981.db2.gz WHZDZDFMOPIQCP-HNNXBMFYSA-N 1 0 277.368 0.851 10 0 CCAERO CC(=O)N[C@H]1CCCN(C(=O)[C@H]2[NH2+]CC2(C)C)C1 ZINC000643991601 390616042 /nfs/dbraw/zinc/61/60/42/390616042.db2.gz OQSVKPFTAOUZPF-WDEREUQCSA-N 1 0 253.346 0.112 10 0 CCAERO COc1cccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c1F ZINC000647038976 390762832 /nfs/dbraw/zinc/76/28/32/390762832.db2.gz ZYYNWPHADMRJIH-PSASIEDQSA-N 1 0 268.288 0.144 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cc(Cl)ccn1 ZINC000647041662 390764093 /nfs/dbraw/zinc/76/40/93/390764093.db2.gz XZZJDFSYVKRPQR-OIBJUYFYSA-N 1 0 255.705 0.045 10 0 CCAERO C[C@@H]1CN(C(=O)c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1[NH3+] ZINC000647084659 390772384 /nfs/dbraw/zinc/77/23/84/390772384.db2.gz SHUPHZCUYWYNGD-SKDRFNHKSA-N 1 0 297.380 0.477 10 0 CCAERO Cn1cc(-c2ccnc(NCCN3CC[NH2+]CC3)n2)cn1 ZINC000575310373 390837080 /nfs/dbraw/zinc/83/70/80/390837080.db2.gz JEEXCXZFINDKMY-UHFFFAOYSA-N 1 0 287.371 0.194 10 0 CCAERO Cc1cc(CN2CC[C@@H]3OCC[NH2+][C@@H]3C2)nn1C ZINC000647541153 390838184 /nfs/dbraw/zinc/83/81/84/390838184.db2.gz BXJWDTBUMTXTPK-OLZOCXBDSA-N 1 0 250.346 0.291 10 0 CCAERO CCCCOC(=O)[C@@H]1C[NH2+]CCN1c1ncccc1N ZINC000575448705 390840967 /nfs/dbraw/zinc/84/09/67/390840967.db2.gz FDEGJECCPHZTPP-LBPRGKRZSA-N 1 0 278.356 0.785 10 0 CCAERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)NC2(CO)CCC2)C1 ZINC000342068836 130234059 /nfs/dbraw/zinc/23/40/59/130234059.db2.gz KZBJXMOKIJLGSV-MNOVXSKESA-N 1 0 255.362 0.683 10 0 CCAERO C[C@@H]1C(=O)NCCCN1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000191449088 130237798 /nfs/dbraw/zinc/23/77/98/130237798.db2.gz OBEPXXBAGRERRH-NEPJUHHUSA-N 1 0 294.399 0.391 10 0 CCAERO CCO[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000193702973 130646693 /nfs/dbraw/zinc/64/66/93/130646693.db2.gz MUZXAKOKTPPSRZ-FRRDWIJNSA-N 1 0 297.399 0.258 10 0 CCAERO COCCOc1cc(C(=O)N2CC[NH2+]CC2)ccn1 ZINC000237136242 131006473 /nfs/dbraw/zinc/00/64/73/131006473.db2.gz FQSVJRHQQBCDRE-UHFFFAOYSA-N 1 0 265.313 0.152 10 0 CCAERO CN1C[C@@H](C[NH2+]Cc2ccc(C(N)=O)cc2)CC1=O ZINC000657698277 413051961 /nfs/dbraw/zinc/05/19/61/413051961.db2.gz UHOJJNDJWCUJHZ-LLVKDONJSA-N 1 0 261.325 0.353 10 0 CCAERO C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCc1ccco1 ZINC000237449479 131031880 /nfs/dbraw/zinc/03/18/80/131031880.db2.gz BJOZILHONQHOCG-ONGXEEELSA-N 1 0 265.313 0.153 10 0 CCAERO CNC(=O)c1cc(C)ccc1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261850080 131173622 /nfs/dbraw/zinc/17/36/22/131173622.db2.gz RKSWIVRDCPGEOM-MFKMUULPSA-N 1 0 291.351 0.799 10 0 CCAERO C[C@@H]1COC[C@@H](C)N1C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262267687 131207214 /nfs/dbraw/zinc/20/72/14/131207214.db2.gz MRISZXUTLODRJN-OXHZDVMGSA-N 1 0 292.383 0.359 10 0 CCAERO CCc1ccc(CCNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000262564743 131233593 /nfs/dbraw/zinc/23/35/93/131233593.db2.gz XPHXRXLADTZHLV-KGLIPLIRSA-N 1 0 262.353 0.631 10 0 CCAERO [NH3+]CC1(NC(=O)CNC(=O)c2ccccn2)CCCC1 ZINC000262575245 131235248 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144424328 /nfs/dbraw/zinc/42/43/28/144424328.db2.gz AHVMSKJTZYORJE-QJPTWQEYSA-N 1 0 282.388 0.247 10 0 CCAERO O=C([C@H]1CCC[NH2+]C1)N1CC(O)(C(F)(F)F)C1 ZINC000409429871 397524354 /nfs/dbraw/zinc/52/43/54/397524354.db2.gz HYMRGMFUKCKKDB-ZETCQYMHSA-N 1 0 252.236 0.122 10 0 CCAERO CCO[C@@H]1C[C@@H](NC(=O)N2CC[NH2+]C[C@H]2C)[C@]12CCCO2 ZINC000333711520 286261786 /nfs/dbraw/zinc/26/17/86/286261786.db2.gz FNAJCMHTYAASAF-RGCMKSIDSA-N 1 0 297.399 0.716 10 0 CCAERO CS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000127740861 286616256 /nfs/dbraw/zinc/61/62/56/286616256.db2.gz JGZUYXUTJAJUDY-NEPJUHHUSA-N 1 0 286.401 0.506 10 0 CCAERO CCCN(CC(=O)N(C)C)C(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000659267899 413366705 /nfs/dbraw/zinc/36/67/05/413366705.db2.gz FZJILDPXOHNSPQ-AWEZNQCLSA-N 1 0 285.388 0.082 10 0 CCAERO CC(C)(C)n1nnc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000659293956 413381609 /nfs/dbraw/zinc/38/16/09/413381609.db2.gz YNIOTEWVBUYGQB-RKDXNWHRSA-N 1 0 266.349 0.285 10 0 CCAERO 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251.334 0.747 10 0 CCAERO Cc1cccc(NC(=O)Cn2cc(C[NH3+])nn2)c1C ZINC000050224802 411677255 /nfs/dbraw/zinc/67/72/55/411677255.db2.gz DYTUUSMREFNFSV-UHFFFAOYSA-N 1 0 259.313 0.992 10 0 CCAERO NC(=O)c1cc(NC(=O)[C@@H]2CC[NH2+]C2)ccc1F ZINC000062113687 411686729 /nfs/dbraw/zinc/68/67/29/411686729.db2.gz TXAVZQUVECCXPE-SSDOTTSWSA-N 1 0 251.261 0.473 10 0 CCAERO C[C@H](NC(=O)[C@H]1CCC[C@H]1C[NH3+])c1cnn(C)c1 ZINC000305314725 411744063 /nfs/dbraw/zinc/74/40/63/411744063.db2.gz DADNKGPSLVGRFY-NHCYSSNCSA-N 1 0 250.346 0.972 10 0 CCAERO CC[N@H+](C)C[C@H](O)CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000311147094 411750397 /nfs/dbraw/zinc/75/03/97/411750397.db2.gz MIMLQLQDGJTKCM-MELADBBJSA-N 1 0 256.390 0.942 10 0 CCAERO COCC1(C[NH2+]C2CCN(CCO)CC2)CCC1 ZINC000398951746 411775168 /nfs/dbraw/zinc/77/51/68/411775168.db2.gz DVPFFPVORLDOBU-UHFFFAOYSA-N 1 0 256.390 0.849 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCC(CCO)CC1 ZINC000400952984 411779353 /nfs/dbraw/zinc/77/93/53/411779353.db2.gz XKJPSEZADYVLIS-WCQYABFASA-N 1 0 254.374 0.996 10 0 CCAERO CC(C)O[C@H]1CCCN(C(=O)C2([NH3+])CCOCC2)C1 ZINC000404693729 411798022 /nfs/dbraw/zinc/79/80/22/411798022.db2.gz QYRMBIGKRSWFIT-LBPRGKRZSA-N 1 0 270.373 0.910 10 0 CCAERO CCO[C@@H]1CN(c2cc(OC)ncn2)C[C@H]1C[NH3+] ZINC000405313499 411800428 /nfs/dbraw/zinc/80/04/28/411800428.db2.gz VOBFQJQSJJVVCM-NXEZZACHSA-N 1 0 252.318 0.285 10 0 CCAERO CCOC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000616570514 411841421 /nfs/dbraw/zinc/84/14/21/411841421.db2.gz MYPDBMYQYNXEMM-CHWSQXEVSA-N 1 0 276.336 0.811 10 0 CCAERO CCN(C[C@H](O)C[NH3+])S(=O)(=O)c1cccs1 ZINC000019685651 170839767 /nfs/dbraw/zinc/83/97/67/170839767.db2.gz IIKYBSMTNYPVBQ-MRVPVSSYSA-N 1 0 264.372 0.078 10 0 CCAERO CCCCS(=O)(=O)N1CCN(CCC[NH3+])CC1 ZINC000020181807 171045649 /nfs/dbraw/zinc/04/56/49/171045649.db2.gz XFMFHELGNJZDFT-UHFFFAOYSA-N 1 0 263.407 0.083 10 0 CCAERO CCS(=O)(=O)N(C)c1cccc(OCC[NH3+])c1 ZINC000020225187 171087363 /nfs/dbraw/zinc/08/73/63/171087363.db2.gz CBWXEQIYICICKL-UHFFFAOYSA-N 1 0 258.343 0.810 10 0 CCAERO [NH3+]C[C@H](c1ccc(Cl)cc1)N1CCN(CCO)CC1 ZINC000020225996 171090162 /nfs/dbraw/zinc/09/01/62/171090162.db2.gz PAAZYGGMLAMBBZ-CQSZACIVSA-N 1 0 283.803 0.950 10 0 CCAERO Cc1cccc(C)c1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000020247727 171100903 /nfs/dbraw/zinc/10/09/03/171100903.db2.gz IQWKPJBDYDMZLT-UHFFFAOYSA-N 1 0 269.370 0.865 10 0 CCAERO O=S(=O)(Nc1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000020247635 171101178 /nfs/dbraw/zinc/10/11/78/171101178.db2.gz FJOGPRIOZSKRSU-UHFFFAOYSA-N 1 0 259.306 0.388 10 0 CCAERO [NH3+]Cc1ccc(NS(=O)(=O)N2CCOCC2)cc1 ZINC000020254509 171107176 /nfs/dbraw/zinc/10/71/76/171107176.db2.gz YEGOJAVQQSEUAT-UHFFFAOYSA-N 1 0 271.342 0.134 10 0 CCAERO CN1CC(=O)N(Cc2cc(C[NH3+])ccc2F)C1=O ZINC000020295756 171136117 /nfs/dbraw/zinc/13/61/17/171136117.db2.gz UWXHYDUKXLIAKE-UHFFFAOYSA-N 1 0 251.261 0.678 10 0 CCAERO C[C@H]([NH2+][C@@H]1CN2CCC1CC2)C(=O)N1CCCC1 ZINC000020301683 171139451 /nfs/dbraw/zinc/13/94/51/171139451.db2.gz BRTQVZLDKHMATO-WCQYABFASA-N 1 0 251.374 0.681 10 0 CCAERO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+][C@@H]1CN2CCC1CC2 ZINC000020366039 171164941 /nfs/dbraw/zinc/16/49/41/171164941.db2.gz VOKLVRNKGIICCP-NQBHXWOUSA-N 1 0 253.390 0.973 10 0 CCAERO C[C@@H]([NH3+])c1ccc(O[C@@H](C)C(=O)NC(N)=O)cc1 ZINC000020419294 171183894 /nfs/dbraw/zinc/18/38/94/171183894.db2.gz WDUSDORSJLVYII-SFYZADRCSA-N 1 0 251.286 0.669 10 0 CCAERO NC(=O)[C@@]1(O)CCC[N@H+](Cc2ccccc2F)C1 ZINC000284722727 196118898 /nfs/dbraw/zinc/11/88/98/196118898.db2.gz BVQVQMUKJPBORM-CYBMUJFWSA-N 1 0 252.289 0.638 10 0 CCAERO COc1ccc(CC[N@@H+]2C[C@@H](OC)C[C@H]2C(N)=O)cc1 ZINC000284651398 196103723 /nfs/dbraw/zinc/10/37/23/196103723.db2.gz NGRMAGGMMDRBOC-KBPBESRZSA-N 1 0 278.352 0.812 10 0 CCAERO COc1cc([C@H]([NH3+])CC(N)=O)cc(OC)c1OC ZINC000020577960 171256384 /nfs/dbraw/zinc/25/63/84/171256384.db2.gz CUVKRYSCXSTTHR-MRVPVSSYSA-N 1 0 254.286 0.588 10 0 CCAERO C[NH+](C)CCNS(=O)(=O)c1ccc(F)c(N)c1 ZINC000021520228 171315495 /nfs/dbraw/zinc/31/54/95/171315495.db2.gz OAAYDOZYNFWKPA-UHFFFAOYSA-N 1 0 261.322 0.248 10 0 CCAERO C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CCO1 ZINC000653063034 412207753 /nfs/dbraw/zinc/20/77/53/412207753.db2.gz UBQXVJGKPIFWEW-IWSPIJDZSA-N 1 0 266.263 0.632 10 0 CCAERO O=C(NCC1CCOCC1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653070857 412208535 /nfs/dbraw/zinc/20/85/35/412208535.db2.gz MJPFUBPHJGLJOV-NXEZZACHSA-N 1 0 280.290 0.927 10 0 CCAERO O=C(NC[C@@H]1CCC[C@H]1O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653082563 412211198 /nfs/dbraw/zinc/21/11/98/412211198.db2.gz ZICVYGMOPQXSOD-SGIHWFKDSA-N 1 0 280.290 0.662 10 0 CCAERO Cc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c(O)c1 ZINC000653138530 412238249 /nfs/dbraw/zinc/23/82/49/412238249.db2.gz AGVNUBULTHMZNK-CABZTGNLSA-N 1 0 250.298 0.011 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc2cc[nH]c2c1 ZINC000653139299 412238734 /nfs/dbraw/zinc/23/87/34/412238734.db2.gz YZHDQSHSXNVSEO-YPMHNXCESA-N 1 0 259.309 0.478 10 0 CCAERO Cc1cnn(CCNC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)c1 ZINC000653149804 412241693 /nfs/dbraw/zinc/24/16/93/412241693.db2.gz GJFKACDWHYOUTI-NXEZZACHSA-N 1 0 290.289 0.706 10 0 CCAERO C[C@@H](Oc1cccc(N(C)C)c1)C(=O)N1CC[NH2+]CC1 ZINC000032049375 171690624 /nfs/dbraw/zinc/69/06/24/171690624.db2.gz IQRDXLJGJBAGLG-GFCCVEGCSA-N 1 0 277.368 0.952 10 0 CCAERO CC[NH2+]Cc1cccc(OCC(=O)NC(N)=O)c1 ZINC000034816322 171869684 /nfs/dbraw/zinc/86/96/84/171869684.db2.gz SHTGHGYISYKQGG-UHFFFAOYSA-N 1 0 251.286 0.370 10 0 CCAERO CC[C@@H]1C[C@@H](C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC(=O)N1 ZINC000408200814 287263374 /nfs/dbraw/zinc/26/33/74/287263374.db2.gz BZZXLVSCMJNHSF-JHJVBQTASA-N 1 0 281.400 0.844 10 0 CCAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC000035053419 171954325 /nfs/dbraw/zinc/95/43/25/171954325.db2.gz OBDSQWPLBAVQHK-LOWVWBTDSA-N 1 0 279.384 0.998 10 0 CCAERO C[C@H]([NH2+]CC(=O)NC1CC1)C(=O)N1CCCCC1 ZINC000035140812 172008384 /nfs/dbraw/zinc/00/83/84/172008384.db2.gz CAOAHOJIBSCMQD-JTQLQIEISA-N 1 0 253.346 0.256 10 0 CCAERO NC(=O)CN1CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC000035255151 172084612 /nfs/dbraw/zinc/08/46/12/172084612.db2.gz BAXAAHSPDNAEJM-UHFFFAOYSA-N 1 0 265.332 0.865 10 0 CCAERO NC(=O)CN1CCC([NH2+]Cc2cccs2)CC1 ZINC000035255123 172084811 /nfs/dbraw/zinc/08/48/11/172084811.db2.gz OZQVKIVIKWZLTA-UHFFFAOYSA-N 1 0 253.371 0.787 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccccc1NN ZINC000035354619 172145879 /nfs/dbraw/zinc/14/58/79/172145879.db2.gz RFVRGTDWYQFYBP-LLVKDONJSA-N 1 0 298.412 0.735 10 0 CCAERO C[C@@H](NS(=O)(=O)N1CCCC1)[C@H]1CCCC[NH2+]1 ZINC000035691639 172360019 /nfs/dbraw/zinc/36/00/19/172360019.db2.gz DHADMIRXMJNIRT-GHMZBOCLSA-N 1 0 261.391 0.447 10 0 CCAERO COCCCNC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000035735654 172388113 /nfs/dbraw/zinc/38/81/13/172388113.db2.gz GRDKZEVPEYAVQV-GRYCIOLGSA-N 1 0 258.362 0.685 10 0 CCAERO C[C@@H](NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)c1cccs1 ZINC000035736793 172389924 /nfs/dbraw/zinc/38/99/24/172389924.db2.gz MVJIYOYLUHQICL-RKDXNWHRSA-N 1 0 290.410 0.687 10 0 CCAERO Cn1cccc1C[N@@H+]1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000285400641 196273683 /nfs/dbraw/zinc/27/36/83/196273683.db2.gz GBMIXJBQQJWMBU-AWEZNQCLSA-N 1 0 275.356 0.644 10 0 CCAERO CO[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000037270411 173082357 /nfs/dbraw/zinc/08/23/57/173082357.db2.gz MDZVZECXUVPQPX-QWHCGFSZSA-N 1 0 290.429 0.958 10 0 CCAERO CNC(=O)CN(C)c1c(C[NH2+]C2CC2)c(C)nn1C ZINC000037271282 173083318 /nfs/dbraw/zinc/08/33/18/173083318.db2.gz GRYCGDDFCZSLSQ-UHFFFAOYSA-N 1 0 265.361 0.163 10 0 CCAERO CC(=O)[C@H](NC(=O)CN1CCC([NH+](C)C)CC1)C(C)C ZINC000037328948 173129387 /nfs/dbraw/zinc/12/93/87/173129387.db2.gz FJQHNNIXJLKMGI-OAHLLOKOSA-N 1 0 283.416 0.742 10 0 CCAERO C[C@@H]1CCC[C@H](C(=O)NCCCN2CCOCC2)[NH2+]1 ZINC000037393634 173174665 /nfs/dbraw/zinc/17/46/65/173174665.db2.gz PDUPJWSKVPJGBL-CHWSQXEVSA-N 1 0 269.389 0.356 10 0 CCAERO Cc1[nH]c(=O)sc1S(=O)(=O)N1CCC[NH2+]CC1 ZINC000037463930 173225538 /nfs/dbraw/zinc/22/55/38/173225538.db2.gz ZSLUJYRJBGIUCS-UHFFFAOYSA-N 1 0 277.371 0.141 10 0 CCAERO CCN([C@@H](C)C(=O)N1CCOCC1)C1CC[NH2+]CC1 ZINC000037538780 173258644 /nfs/dbraw/zinc/25/86/44/173258644.db2.gz MDTDSVZSWCZDCC-LBPRGKRZSA-N 1 0 269.389 0.308 10 0 CCAERO [NH3+]CC(=O)NCC(=O)Nc1ccccc1OC(F)F ZINC000037626104 173576908 /nfs/dbraw/zinc/57/69/08/173576908.db2.gz QUGABLXKYJZLRP-UHFFFAOYSA-N 1 0 273.239 0.301 10 0 CCAERO C[C@H](O)C[N@H+](CCO)Cc1cnc2ccccc2n1 ZINC000660563987 414392512 /nfs/dbraw/zinc/39/25/12/414392512.db2.gz QJBXDNYXYJEKBP-NSHDSACASA-N 1 0 261.325 0.805 10 0 CCAERO CCOC(=O)[C@@H]1CSCCN1C(=O)C[NH2+][C@@H](C)CC ZINC000037803889 173743674 /nfs/dbraw/zinc/74/36/74/173743674.db2.gz QIOOJRRDSLQHOU-QWRGUYRKSA-N 1 0 288.413 0.882 10 0 CCAERO [NH3+]CCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000037810619 173754937 /nfs/dbraw/zinc/75/49/37/173754937.db2.gz OSHWXYMPWHRANE-GHMZBOCLSA-N 1 0 258.387 0.848 10 0 CCAERO CNC(=O)[C@H]1CCCCN1C(=O)C1CCC([NH3+])CC1 ZINC000037810864 173755566 /nfs/dbraw/zinc/75/55/66/173755566.db2.gz KUDDQLLBJIJADE-HTAVTVPLSA-N 1 0 267.373 0.631 10 0 CCAERO C[C@](C(N)=O)(c1cccc(O)c1)N1CCC[NH2+]CC1 ZINC000037950885 173891701 /nfs/dbraw/zinc/89/17/01/173891701.db2.gz HMDOBIRJKCNHGW-CQSZACIVSA-N 1 0 263.341 0.388 10 0 CCAERO C[C@@H](C[NH2+][C@@H]1CC(=O)N(C2CC2)C1=O)N1CCCCC1 ZINC000038029202 174019791 /nfs/dbraw/zinc/01/97/91/174019791.db2.gz QEGVETXSWULCQV-WCQYABFASA-N 1 0 279.384 0.740 10 0 CCAERO CN(CC(=O)N1CC[NH2+]CC1)c1nc2ccccc2[nH]1 ZINC000038031630 174026331 /nfs/dbraw/zinc/02/63/31/174026331.db2.gz DZCWZGXDSNEPPN-UHFFFAOYSA-N 1 0 273.340 0.431 10 0 CCAERO C[C@@H](C(=O)N1CCOCC1)N(CC[NH3+])Cc1ccccc1 ZINC000038033170 174030923 /nfs/dbraw/zinc/03/09/23/174030923.db2.gz XYDUWXNPWMKQLN-AWEZNQCLSA-N 1 0 291.395 0.695 10 0 CCAERO [NH3+][C@H]1CCCC[C@H]1NS(=O)(=O)CCc1ccncc1 ZINC000038050216 174061604 /nfs/dbraw/zinc/06/16/04/174061604.db2.gz LABJNFCRDWPEAE-QWHCGFSZSA-N 1 0 283.397 0.813 10 0 CCAERO Oc1ccc2c(c1)OC[C@H]2[NH2+]C[C@@H]1COCCO1 ZINC000038060497 174070777 /nfs/dbraw/zinc/07/07/77/174070777.db2.gz IGPZTWVVHFIBFW-ZYHUDNBSSA-N 1 0 251.282 0.831 10 0 CCAERO COC(=O)[C@H]1CCCN1C(=O)CC1CC[NH2+]CC1 ZINC000038075738 174086351 /nfs/dbraw/zinc/08/63/51/174086351.db2.gz FRNHQWOFEWNEOS-LLVKDONJSA-N 1 0 254.330 0.540 10 0 CCAERO O=S1(=O)CC[C@H](C[NH2+]Cc2ccc3c(c2)OCO3)C1 ZINC000038083189 174092490 /nfs/dbraw/zinc/09/24/90/174092490.db2.gz WHHKVJZMTKLLAT-LLVKDONJSA-N 1 0 283.349 0.940 10 0 CCAERO Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000038083196 174092872 /nfs/dbraw/zinc/09/28/72/174092872.db2.gz PLBJEAWVZVOMGN-CMPLNLGQSA-N 1 0 283.397 0.822 10 0 CCAERO O=S1(=O)CC[C@H](C[NH2+]CCc2ccccn2)C1 ZINC000038083953 174093765 /nfs/dbraw/zinc/09/37/65/174093765.db2.gz FEZSGEHWSOZOMB-LLVKDONJSA-N 1 0 254.355 0.648 10 0 CCAERO C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)C(=O)NC(C)(C)C ZINC000038084216 174094025 /nfs/dbraw/zinc/09/40/25/174094025.db2.gz IQPQUOCQEWRPGO-UWVGGRQHSA-N 1 0 276.402 0.314 10 0 CCAERO O=S1(=O)CC[C@H](C[NH2+]Cc2nccn2C(F)F)C1 ZINC000038084089 174094444 /nfs/dbraw/zinc/09/44/44/174094444.db2.gz BTBMKFGZRAYGBE-MRVPVSSYSA-N 1 0 279.312 0.803 10 0 CCAERO CCC(CC)N1C(=O)C[C@H]([NH2+]C[C@H](C)N(C)C)C1=O ZINC000038089037 174102354 /nfs/dbraw/zinc/10/23/54/174102354.db2.gz FPZSFZPCNXRRRS-JQWIXIFHSA-N 1 0 269.389 0.842 10 0 CCAERO CCCN1C(=O)C[C@H]([NH2+]CC[C@@H]2CCCO2)C1=O ZINC000038096515 174110157 /nfs/dbraw/zinc/11/01/57/174110157.db2.gz XFCXFABLLOIESN-QWRGUYRKSA-N 1 0 254.330 0.683 10 0 CCAERO CC(C)OCCOC[C@H](O)C[NH2+]CC[C@H]1CCCO1 ZINC000038096669 174111266 /nfs/dbraw/zinc/11/12/66/174111266.db2.gz PIGQLXXROWAPKR-ZIAGYGMSSA-N 1 0 275.389 0.948 10 0 CCAERO CCCNc1nc[nH+]c(NN2CCN(C)CC2)c1N ZINC000040707705 174380147 /nfs/dbraw/zinc/38/01/47/174380147.db2.gz SMYPOSCQYQXWET-UHFFFAOYSA-N 1 0 265.365 0.455 10 0 CCAERO CN1CCN(Nc2[nH+]cnc(N3CCCC3)c2N)CC1 ZINC000040724308 174386450 /nfs/dbraw/zinc/38/64/50/174386450.db2.gz QNTBALNQPPMZCZ-UHFFFAOYSA-N 1 0 277.376 0.233 10 0 CCAERO CN1CCN(Nc2nc[nH+]c(NNC(C)(C)C)c2N)CC1 ZINC000040756982 174396006 /nfs/dbraw/zinc/39/60/06/174396006.db2.gz SQKWFDDWLMMWET-UHFFFAOYSA-N 1 0 294.407 0.348 10 0 CCAERO Cn1ncc(Cl)c1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000662766487 414774618 /nfs/dbraw/zinc/77/46/18/414774618.db2.gz NHGUUTMDBXJPDN-NRPADANISA-N 1 0 268.748 0.883 10 0 CCAERO COC[C@@H](CCNC(=O)[C@@]1(C)CCCC[NH2+]1)OC ZINC000662618204 414733195 /nfs/dbraw/zinc/73/31/95/414733195.db2.gz VWLDVYZSZVMEKD-DGCLKSJQSA-N 1 0 258.362 0.686 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)n2cc(N)cn2)C1 ZINC000662692787 414742087 /nfs/dbraw/zinc/74/20/87/414742087.db2.gz GMQATVHNVQCPKC-GFCCVEGCSA-N 1 0 279.388 0.801 10 0 CCAERO CCS(=O)(=O)C1(CNC(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000662706330 414744089 /nfs/dbraw/zinc/74/40/89/414744089.db2.gz CDKOMMJROIPEMM-SNVBAGLBSA-N 1 0 276.402 0.443 10 0 CCAERO C[C@@H]1CN(C(=O)c2nn(C)cc2Br)C[C@H]1[NH3+] ZINC000662812243 414812880 /nfs/dbraw/zinc/81/28/80/414812880.db2.gz GOOWMJIYQWBAGV-HTRCEHHLSA-N 1 0 287.161 0.602 10 0 CCAERO CO[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000662836213 414832201 /nfs/dbraw/zinc/83/22/01/414832201.db2.gz WVMCCMGVXZRISC-VXGBXAGGSA-N 1 0 256.346 0.250 10 0 CCAERO COC[C@@]1(C(=O)N[C@@H](CO)C2CCC2)CCC[NH2+]1 ZINC000662855296 414846601 /nfs/dbraw/zinc/84/66/01/414846601.db2.gz WHPCUQMKAPFTPS-WCQYABFASA-N 1 0 256.346 0.032 10 0 CCAERO Cc1cc(C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)[nH]n1 ZINC000662980006 414931442 /nfs/dbraw/zinc/93/14/42/414931442.db2.gz XMNROVXYNFEYRC-ZETCQYMHSA-N 1 0 250.224 0.680 10 0 CCAERO CN(C(=O)Cn1cccn1)[C@H](C[NH3+])C(F)(F)F ZINC000662979835 414931467 /nfs/dbraw/zinc/93/14/67/414931467.db2.gz COBIVTMTKNMWTO-SSDOTTSWSA-N 1 0 250.224 0.231 10 0 CCAERO CN(C(=O)CCn1cncn1)[C@@H](C[NH3+])C(F)(F)F ZINC000662978022 414932078 /nfs/dbraw/zinc/93/20/78/414932078.db2.gz OCSJISLQSFISKY-ZETCQYMHSA-N 1 0 265.239 0.016 10 0 CCAERO NC(=O)NC(=O)COc1ccc(C[NH3+])cc1Cl ZINC000042303198 174678738 /nfs/dbraw/zinc/67/87/38/174678738.db2.gz DTUONZFWMOPPOA-UHFFFAOYSA-N 1 0 257.677 0.372 10 0 CCAERO CC[C@H](C)NC(=O)CC[NH2+]C1CCS(=O)CC1 ZINC000042354019 174693049 /nfs/dbraw/zinc/69/30/49/174693049.db2.gz VHBXHIRMZGOLIB-KCCQOBMMSA-N 1 0 260.403 0.792 10 0 CCAERO COc1cc(NC(=O)[C@H]2C[NH2+]CCOC2)ccn1 ZINC000662900642 414881298 /nfs/dbraw/zinc/88/12/98/414881298.db2.gz SANZOYXYFOWDLV-VIFPVBQESA-N 1 0 251.286 0.265 10 0 CCAERO O=S(=O)(CC[C@@H]1CCCC[NH2+]1)N(CCO)C1CC1 ZINC000042481238 174758272 /nfs/dbraw/zinc/75/82/72/174758272.db2.gz AOAONVCSDJLTQG-NSHDSACASA-N 1 0 276.402 0.305 10 0 CCAERO CC(C)N(CCCO)S(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000042514248 174765427 /nfs/dbraw/zinc/76/54/27/174765427.db2.gz RFKPYUSJUAXVCF-UHFFFAOYSA-N 1 0 286.397 0.927 10 0 CCAERO CC[C@H]1CO[C@@H](C)CN1S(=O)(=O)CCCC[NH3+] ZINC000042525303 174775523 /nfs/dbraw/zinc/77/55/23/174775523.db2.gz MPPHFPGFGUKZIH-QWRGUYRKSA-N 1 0 264.391 0.554 10 0 CCAERO CC[C@H]([NH2+]Cc1cc(=O)n(C)c(=O)n1C)C(C)C ZINC000042588725 174810257 /nfs/dbraw/zinc/81/02/57/174810257.db2.gz AWRRKEHWODQLFH-NSHDSACASA-N 1 0 253.346 0.608 10 0 CCAERO CC(=O)N1CCCN(C(=O)[C@H]2CCC[C@H](C)[NH2+]2)CC1 ZINC000042681628 174836657 /nfs/dbraw/zinc/83/66/57/174836657.db2.gz LPMHOXYTJNAFPG-WCQYABFASA-N 1 0 267.373 0.598 10 0 CCAERO CN(CCC[NH3+])S(=O)(=O)N(CC(F)(F)F)C1CC1 ZINC000042768561 174870066 /nfs/dbraw/zinc/87/00/66/174870066.db2.gz CHMVOCHDPRXGLD-UHFFFAOYSA-N 1 0 289.323 0.539 10 0 CCAERO Cc1cnc(C)c(NCc2nc(C[NH3+])cc(=O)[nH]2)n1 ZINC000663277468 415034910 /nfs/dbraw/zinc/03/49/10/415034910.db2.gz QBSXLARIZZVAGL-UHFFFAOYSA-N 1 0 260.301 0.660 10 0 CCAERO C[C@H]1CCCC[C@@H]1N(C)S(=O)(=O)N1CC[NH2+]CC1 ZINC000044374952 175168667 /nfs/dbraw/zinc/16/86/67/175168667.db2.gz VGLJTLAUWGXCHU-RYUDHWBXSA-N 1 0 275.418 0.647 10 0 CCAERO CCOCCS(=O)(=O)N(CC[NH3+])C1CCCC1 ZINC000070975281 176017816 /nfs/dbraw/zinc/01/78/16/176017816.db2.gz ZHCXICYUDHDYLY-UHFFFAOYSA-N 1 0 264.391 0.556 10 0 CCAERO C[NH2+]C[C@H]1CCN(c2ccc(C(N)=O)cc2F)C1 ZINC000071147963 176044131 /nfs/dbraw/zinc/04/41/31/176044131.db2.gz KXMDOCLUJUDJNF-SECBINFHSA-N 1 0 251.305 0.970 10 0 CCAERO C[NH2+]C[C@@H]1CCN(c2ccc(C(N)=O)cc2F)C1 ZINC000071147961 176044175 /nfs/dbraw/zinc/04/41/75/176044175.db2.gz KXMDOCLUJUDJNF-VIFPVBQESA-N 1 0 251.305 0.970 10 0 CCAERO CN(C)c1nc(Cl)nc(N(C)C[C@@H]2CC[N@H+](C)C2)n1 ZINC000071192720 176074601 /nfs/dbraw/zinc/07/46/01/176074601.db2.gz LRUQKKCGNCIPMO-SECBINFHSA-N 1 0 284.795 0.979 10 0 CCAERO CC[C@H](C)NC(=O)[C@@H](C)N(CCC[NH3+])CCOC ZINC000071224816 176088808 /nfs/dbraw/zinc/08/88/08/176088808.db2.gz OSNHMITVXOQEIU-NWDGAFQWSA-N 1 0 259.394 0.587 10 0 CCAERO COC[C@H](O)C[NH2+][C@H]1CCN(CCc2ccccc2)C1 ZINC000071269108 176102690 /nfs/dbraw/zinc/10/26/90/176102690.db2.gz MMGXVZVIAHHHGS-JKSUJKDBSA-N 1 0 278.396 0.900 10 0 CCAERO COCCNC(=O)COc1ccc(C)cc1CC[NH3+] ZINC000071411582 176157108 /nfs/dbraw/zinc/15/71/08/176157108.db2.gz QTCRTLKECDACRJ-UHFFFAOYSA-N 1 0 266.341 0.638 10 0 CCAERO O=C(OCc1ccccc1)N1CCC[NH2+]C[C@@H]1CO ZINC000071864353 176280763 /nfs/dbraw/zinc/28/07/63/176280763.db2.gz GFZCPRKDTCJTAV-CYBMUJFWSA-N 1 0 264.325 0.979 10 0 CCAERO [NH3+]C[C@@H](C(=O)[O-])N1CC[NH+](Cc2ccccc2)CC1 ZINC000076362575 177003055 /nfs/dbraw/zinc/00/30/55/177003055.db2.gz MYUMXUKJZJDYGZ-ZDUSSCGKSA-N 1 0 263.341 0.216 10 0 CCAERO CCC[C@H](C[NH3+])CCC(=O)N1CCN(C=O)CC1 ZINC000076660727 177048634 /nfs/dbraw/zinc/04/86/34/177048634.db2.gz FCLXFANLERIPLR-LBPRGKRZSA-N 1 0 255.362 0.442 10 0 CCAERO CC[C@H](C[NH3+])CCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000076675236 177055579 /nfs/dbraw/zinc/05/55/79/177055579.db2.gz UALWRFIAPVHYKW-VHSXEESVSA-N 1 0 262.375 0.055 10 0 CCAERO [NH3+]CC[C@H](C(=O)NC[C@@H]1CCCO1)c1ccccn1 ZINC000076678145 177056875 /nfs/dbraw/zinc/05/68/75/177056875.db2.gz ZVEQWSPAVLBTCM-RYUDHWBXSA-N 1 0 263.341 0.809 10 0 CCAERO C[C@@H]1CCC[N@H+](CCCS(=O)(=O)N(C)C)[C@H]1CO ZINC000407948517 287348194 /nfs/dbraw/zinc/34/81/94/287348194.db2.gz JAFPINSTSCUYMJ-NEPJUHHUSA-N 1 0 278.418 0.361 10 0 CCAERO C[NH2+][C@@H](C)c1ccc(-n2cc(S(C)(=O)=O)cn2)nc1 ZINC000725242262 545873126 /nfs/dbraw/zinc/87/31/26/545873126.db2.gz QGTAZOQUXQSOGW-VIFPVBQESA-N 1 0 280.353 0.951 10 0 CCAERO CS(=O)(=O)c1cnn(-c2ccccc2C(N)=[NH2+])c1 ZINC000725251416 545875305 /nfs/dbraw/zinc/87/53/05/545875305.db2.gz HRXGYEKIQAWTRZ-UHFFFAOYSA-N 1 0 264.310 0.560 10 0 CCAERO Cc1nc(-n2cc(S(C)(=O)=O)cn2)ccc1C(N)=[NH2+] ZINC000725252928 545877996 /nfs/dbraw/zinc/87/79/96/545877996.db2.gz ZGHWGCKNSCYNNM-UHFFFAOYSA-N 1 0 279.325 0.263 10 0 CCAERO C[C@@H]([NH3+])[C@@H](c1ccncc1)n1cc(S(C)(=O)=O)cn1 ZINC000725252284 545877067 /nfs/dbraw/zinc/87/70/67/545877067.db2.gz LODZRPIHWBDKOF-SKDRFNHKSA-N 1 0 280.353 0.618 10 0 CCAERO CS(=O)(=O)c1cnn(C[C@H]([NH3+])C2CCCC2)c1 ZINC000725252017 545877097 /nfs/dbraw/zinc/87/70/97/545877097.db2.gz JNEPRRPVIKIVEC-NSHDSACASA-N 1 0 257.359 0.804 10 0 CCAERO O=S(=O)(CC(F)F)Nc1ccnn1C1C[NH2+]C1 ZINC000725259420 545881416 /nfs/dbraw/zinc/88/14/16/545881416.db2.gz BCBUOXKHLNVFTL-UHFFFAOYSA-N 1 0 266.273 0.034 10 0 CCAERO CCN(CC)S(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171770584 335078453 /nfs/dbraw/zinc/07/84/53/335078453.db2.gz RUYMLXLFCHMMNV-LLVKDONJSA-N 1 0 261.391 0.353 10 0 CCAERO CC(C)N1CC[C@H]([NH3+])C12C[C@H]1CC[C@@H](C2)S1(=O)=O ZINC000725266010 545885847 /nfs/dbraw/zinc/88/58/47/545885847.db2.gz KRENBKLKFVECAS-FXJUQPSGSA-N 1 0 272.414 0.906 10 0 CCAERO COc1cc(-c2cnnn2[C@H]2CC[NH2+]C2)sn1 ZINC000725266011 545886360 /nfs/dbraw/zinc/88/63/60/545886360.db2.gz GAGBXUPALFSQRP-ZETCQYMHSA-N 1 0 251.315 0.945 10 0 CCAERO COC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCO[C@@]23CCOC3)C1 ZINC000725269158 545887056 /nfs/dbraw/zinc/88/70/56/545887056.db2.gz MSSFNPHMCRCBBR-YRGRVCCFSA-N 1 0 269.341 0.819 10 0 CCAERO Cn1cc([C@@H]2OCC[C@H]2NC(=O)[C@@H]([NH3+])C2CCC2)cn1 ZINC000333645212 228208101 /nfs/dbraw/zinc/20/81/01/228208101.db2.gz XZYLALRCOGYUOZ-AGIUHOORSA-N 1 0 278.356 0.494 10 0 CCAERO CN(C)C(=O)CN1CCC([NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000051998511 544439031 /nfs/dbraw/zinc/43/90/31/544439031.db2.gz XNKDXPLOYUZDAQ-ZIAGYGMSSA-N 1 0 283.416 0.432 10 0 CCAERO C[C@@H](NC(=O)CCCC[NH3+])c1ccc(S(N)(=O)=O)cc1 ZINC000070201864 544450107 /nfs/dbraw/zinc/45/01/07/544450107.db2.gz DNIADODMRXWKCA-SNVBAGLBSA-N 1 0 299.396 0.640 10 0 CCAERO CN1C[C@@H](NC(=O)C2CCC([NH3+])CC2)CCC1=O ZINC000084091675 544489166 /nfs/dbraw/zinc/48/91/66/544489166.db2.gz WICJCRBDTBAJRX-ILDUYXDCSA-N 1 0 253.346 0.241 10 0 CCAERO C[NH2+]C[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000092133124 544531631 /nfs/dbraw/zinc/53/16/31/544531631.db2.gz NASADCMWSPEWPV-NXEZZACHSA-N 1 0 299.396 0.367 10 0 CCAERO COc1ccc([C@H](C)NC(=O)COCC[NH3+])cc1OC ZINC000093231818 544540529 /nfs/dbraw/zinc/54/05/29/544540529.db2.gz JNJYJKFHRISLDE-JTQLQIEISA-N 1 0 282.340 0.856 10 0 CCAERO CCN(CC(=O)N(C)C)C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000094647518 544545978 /nfs/dbraw/zinc/54/59/78/544545978.db2.gz QBDDYDOCSRTAGM-GHMZBOCLSA-N 1 0 255.362 0.311 10 0 CCAERO CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H]2COCCN2)CC1 ZINC000088371159 544505955 /nfs/dbraw/zinc/50/59/55/544505955.db2.gz QKLALZKXJBZNGV-AWEZNQCLSA-N 1 0 283.416 0.554 10 0 CCAERO CN1C[C@H](NC(=O)[C@H]2CCC[C@@H]2C[NH3+])CCC1=O ZINC000089482081 544514252 /nfs/dbraw/zinc/51/42/52/544514252.db2.gz SFUPUKVZORAESP-MXWKQRLJSA-N 1 0 253.346 0.098 10 0 CCAERO CC1(OCC(=O)N2CCO[C@H]3CCCC[C@@H]32)C[NH2+]C1 ZINC000098061135 544555365 /nfs/dbraw/zinc/55/53/65/544555365.db2.gz KUDZFVFGPBJABL-RYUDHWBXSA-N 1 0 268.357 0.535 10 0 CCAERO CCCOc1nccnc1NC[C@H]1C[NH2+]C[C@H]1O ZINC000630513039 419462489 /nfs/dbraw/zinc/46/24/89/419462489.db2.gz OIWTUXVOZDVWKX-NXEZZACHSA-N 1 0 252.318 0.258 10 0 CCAERO COc1cc(OC)nc(NCCOCCC[NH3+])n1 ZINC000630538012 419468615 /nfs/dbraw/zinc/46/86/15/419468615.db2.gz UDXLCLANMGEMTJ-UHFFFAOYSA-N 1 0 256.306 0.271 10 0 CCAERO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H]2C(=O)NC)C1 ZINC000121075592 544573736 /nfs/dbraw/zinc/57/37/36/544573736.db2.gz VMDMWBRLLQHDRD-CHWSQXEVSA-N 1 0 296.415 0.638 10 0 CCAERO C[C@@H](O)C[N@@H+]1CCN(Cc2cncnc2)C[C@H]1C ZINC000120569229 544572581 /nfs/dbraw/zinc/57/25/81/544572581.db2.gz RQJQOEAVDJNDFY-VXGBXAGGSA-N 1 0 250.346 0.364 10 0 CCAERO CC[C@H]1CCN(C(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000135289501 544635688 /nfs/dbraw/zinc/63/56/88/544635688.db2.gz AVWQXLSTZCFBNI-LBPRGKRZSA-N 1 0 253.390 0.929 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cnn(C)c1N ZINC000134421337 544629207 /nfs/dbraw/zinc/62/92/07/544629207.db2.gz MDBRCPQMEFJRHK-JTQLQIEISA-N 1 0 265.361 0.559 10 0 CCAERO CC(C)(C)OC(=O)N1C[C@H]([NH3+])[C@@H](n2ccnn2)C1 ZINC000141927592 544644988 /nfs/dbraw/zinc/64/49/88/544644988.db2.gz ULZNGNSUUVUKGF-IUCAKERBSA-N 1 0 253.306 0.397 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC(C(=O)N(C)C)CC1 ZINC000136389974 544638589 /nfs/dbraw/zinc/63/85/89/544638589.db2.gz GABYJYYHFGIGTF-GFCCVEGCSA-N 1 0 269.389 0.687 10 0 CCAERO COCCn1cc(NC(=O)C[C@@H]([NH3+])C(C)C)cn1 ZINC000136358515 544638637 /nfs/dbraw/zinc/63/86/37/544638637.db2.gz DQRFTGXJPFIKOT-LLVKDONJSA-N 1 0 254.334 0.841 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000136386109 544638643 /nfs/dbraw/zinc/63/86/43/544638643.db2.gz JKAQFLBOVJXBBS-NEPJUHHUSA-N 1 0 267.373 0.629 10 0 CCAERO C[C@H]1CN(C(=O)c2nn(C)c3ccccc32)C[C@H]1[NH3+] ZINC000137391436 544642176 /nfs/dbraw/zinc/64/21/76/544642176.db2.gz YWZFZFTTYKFJTD-GXSJLCMTSA-N 1 0 258.325 0.993 10 0 CCAERO COC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000159130878 544692529 /nfs/dbraw/zinc/69/25/29/544692529.db2.gz HPKTZDHMRXWELB-VXNVDRBHSA-N 1 0 278.312 0.007 10 0 CCAERO COC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000159130742 544693251 /nfs/dbraw/zinc/69/32/51/544693251.db2.gz HPKTZDHMRXWELB-IONNQARKSA-N 1 0 278.312 0.007 10 0 CCAERO CNC(=O)[C@H](NC(=O)NC[C@H]1CCC[N@H+](C)C1)C(C)C ZINC000178445071 544746117 /nfs/dbraw/zinc/74/61/17/544746117.db2.gz ZFIPEIDPMUKHCS-VXGBXAGGSA-N 1 0 284.404 0.398 10 0 CCAERO C[C@H]([NH2+]C[C@H](O)COC1CCOCC1)[C@@H]1CCCO1 ZINC000183156501 544765442 /nfs/dbraw/zinc/76/54/42/544765442.db2.gz CJEDZVYMVDRQNB-OBJOEFQTSA-N 1 0 273.373 0.700 10 0 CCAERO CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC[NH3+])C1 ZINC000218761910 544814985 /nfs/dbraw/zinc/81/49/85/544814985.db2.gz OWZXRDXNIYGFIJ-VIFPVBQESA-N 1 0 278.374 0.369 10 0 CCAERO COCC1(C(=O)NCC[C@@H]2CCCO2)CC[NH2+]CC1 ZINC000234655595 544869645 /nfs/dbraw/zinc/86/96/45/544869645.db2.gz CZDSVBXQNARHSD-LBPRGKRZSA-N 1 0 270.373 0.688 10 0 CCAERO COCCN1CC[N@@H+]([C@@H]2CCCC[C@H]2O)C[C@H]1C ZINC000245585960 544905336 /nfs/dbraw/zinc/90/53/36/544905336.db2.gz DWRDVZXLOHITJF-MGPQQGTHSA-N 1 0 256.390 0.942 10 0 CCAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCO[C@H](Cn2cccn2)C1 ZINC000246732510 544910987 /nfs/dbraw/zinc/91/09/87/544910987.db2.gz YLKKWNJRTFXVRP-RWMBFGLXSA-N 1 0 278.356 0.238 10 0 CCAERO Cc1noc2ncnc(N3CC[N@@H+](C[C@H](C)O)[C@H](C)C3)c12 ZINC000248795404 544915513 /nfs/dbraw/zinc/91/55/13/544915513.db2.gz YOUUAXZTFLIHDD-ZJUUUORDSA-N 1 0 291.355 0.818 10 0 CCAERO CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000250759891 544925048 /nfs/dbraw/zinc/92/50/48/544925048.db2.gz QJSFWDZYXNZEMC-XQQFMLRXSA-N 1 0 267.373 0.489 10 0 CCAERO CC[C@@H]1C(=O)NCCN1C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000251685743 544927123 /nfs/dbraw/zinc/92/71/23/544927123.db2.gz PPFJPOFCXDTPMI-GARJFASQSA-N 1 0 253.346 0.098 10 0 CCAERO CCOc1cc(N2CCO[C@H]([C@H](C)[NH3+])C2)ncn1 ZINC000252690786 544930324 /nfs/dbraw/zinc/93/03/24/544930324.db2.gz WBBFQPGIDDUTBY-UWVGGRQHSA-N 1 0 252.318 0.428 10 0 CCAERO CCc1cc(N2CCO[C@H]([C@H](C)[NH3+])C2)nc(C)n1 ZINC000252688151 544930389 /nfs/dbraw/zinc/93/03/89/544930389.db2.gz NHRHKZWDZJKTJD-CABZTGNLSA-N 1 0 250.346 0.900 10 0 CCAERO CC(C)(C)n1cc(CNC[C@H]2C[NH2+]C[C@H]2O)cn1 ZINC000262075760 544939338 /nfs/dbraw/zinc/93/93/38/544939338.db2.gz DGDRXSCHONECGS-NWDGAFQWSA-N 1 0 252.362 0.308 10 0 CCAERO COCc1cccc(CNC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262132634 544940769 /nfs/dbraw/zinc/94/07/69/544940769.db2.gz OFUVGFGMZYHLOF-KBPBESRZSA-N 1 0 250.342 0.503 10 0 CCAERO Cc1ccc2oc(C(=O)NC[C@@H]3C[NH2+]C[C@H]3O)cc2n1 ZINC000262105262 544941070 /nfs/dbraw/zinc/94/10/70/544941070.db2.gz DZEVZBMDXMPIBU-GXSJLCMTSA-N 1 0 275.308 0.446 10 0 CCAERO COc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c(F)c1 ZINC000262123460 544941189 /nfs/dbraw/zinc/94/11/89/544941189.db2.gz GAEZMUWNAFOGAI-QPUJVOFHSA-N 1 0 268.288 0.144 10 0 CCAERO CO[C@H]1C[C@@H](CN(C)C(=O)Cc2cc[nH]n2)[N@H+](C)C1 ZINC000285375358 544964222 /nfs/dbraw/zinc/96/42/22/544964222.db2.gz YTPIXHPXHMTRFW-RYUDHWBXSA-N 1 0 266.345 0.130 10 0 CCAERO CC(C)CN1CCN(C(=O)NC[C@H]2CC[NH2+]C2)[C@H](C)C1=O ZINC000333749788 545042676 /nfs/dbraw/zinc/04/26/76/545042676.db2.gz YVFVKPPZPOZDPT-OLZOCXBDSA-N 1 0 296.415 0.494 10 0 CCAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1C[C@@H](F)C[C@@H]1CO ZINC000333801156 545043380 /nfs/dbraw/zinc/04/33/80/545043380.db2.gz HSOJBQGNMRIZCM-HBNTYKKESA-N 1 0 259.325 0.243 10 0 CCAERO C[NH2+][C@@H](C)CNS(=O)(=O)c1cccc(OC)c1 ZINC000310207911 545010624 /nfs/dbraw/zinc/01/06/24/545010624.db2.gz DFRYFYIAXHXJGT-VIFPVBQESA-N 1 0 258.343 0.581 10 0 CCAERO Cn1nncc1-c1nc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000329615647 545024303 /nfs/dbraw/zinc/02/43/03/545024303.db2.gz SHDLFYLLLAKEMW-SCZZXKLOSA-N 1 0 276.300 0.401 10 0 CCAERO CCC(=O)N1CSC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000332758875 545032866 /nfs/dbraw/zinc/03/28/66/545032866.db2.gz VMBKXJAAEMXXBC-NEPJUHHUSA-N 1 0 299.440 0.898 10 0 CCAERO CCCN(C(=O)N[C@@H]1CCO[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000333605488 545040576 /nfs/dbraw/zinc/04/05/76/545040576.db2.gz PZFDNJATRKVPMR-SDDRHHMPSA-N 1 0 255.362 0.947 10 0 CCAERO C[C@@]12C[N@H+](CC(=O)N3CCNC3=O)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333669352 545041706 /nfs/dbraw/zinc/04/17/06/545041706.db2.gz INZRNBLNUMSSSU-ZAZJYDDPSA-N 1 0 277.368 0.906 10 0 CCAERO N[C@H](C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)C(F)(F)F ZINC000334844307 545047419 /nfs/dbraw/zinc/04/74/19/545047419.db2.gz JLLVQVPFBPHHHM-PSASIEDQSA-N 1 0 265.279 0.478 10 0 CCAERO Cc1cnc(CCN2CCO[C@H](CO)C2)c(C)c1 ZINC000401111459 260148054 /nfs/dbraw/zinc/14/80/54/260148054.db2.gz HRQGHGBHHORANG-ZDUSSCGKSA-N 1 0 250.342 0.934 10 0 CCAERO COC(=O)[C@@H]1C[NH2+]CC[C@@H]1NC(=O)OC(C)(C)C ZINC000083317390 260189002 /nfs/dbraw/zinc/18/90/02/260189002.db2.gz JZMRLHYTQICGLN-BDAKNGLRSA-N 1 0 258.318 0.662 10 0 CCAERO CC(C)SCC(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000518982043 265275107 /nfs/dbraw/zinc/27/51/07/265275107.db2.gz LCFBRZWBNFPHNV-WDEREUQCSA-N 1 0 258.387 0.717 10 0 CCAERO CC[C@H](NS(=O)(=O)CCN1CC[NH2+]CC1)C(C)C ZINC000049645499 522676588 /nfs/dbraw/zinc/67/65/88/522676588.db2.gz RIVCWUPUYXZPKZ-LBPRGKRZSA-N 1 0 277.434 0.246 10 0 CCAERO O=C([C@@H]1CCc2n[nH]nc2C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000328960804 275006050 /nfs/dbraw/zinc/00/60/50/275006050.db2.gz QMQUUAAZCXXVAR-GHMZBOCLSA-N 1 0 275.356 0.216 10 0 CCAERO O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC2(CC2)c2ccccc21 ZINC000262557459 275006799 /nfs/dbraw/zinc/00/67/99/275006799.db2.gz VJHINCLTBONYJT-JQWIXIFHSA-N 1 0 258.321 0.788 10 0 CCAERO CC(C)(C)[NH+]1CCC(NC(=O)N2CCNC(=O)CC2)CC1 ZINC000105166861 275814383 /nfs/dbraw/zinc/81/43/83/275814383.db2.gz DTEVMLCJNMSSNZ-UHFFFAOYSA-N 1 0 296.415 0.781 10 0 CCAERO CC(C)(C)OC(=O)N1CCC([NH+]2CCN(N)CC2)CC1 ZINC000253572174 275822904 /nfs/dbraw/zinc/82/29/04/275822904.db2.gz PWPIPMLPNATFFR-UHFFFAOYSA-N 1 0 284.404 0.877 10 0 CCAERO CC[C@H](CO)N1CCN(C(=O)[C@H]([NH3+])[C@@H](C)CC)CC1 ZINC000262515930 287871574 /nfs/dbraw/zinc/87/15/74/287871574.db2.gz CPPJLTRAORXZIW-YNEHKIRRSA-N 1 0 271.405 0.275 10 0 CCAERO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000112654317 276159692 /nfs/dbraw/zinc/15/96/92/276159692.db2.gz GSTNYXLUQKFFGZ-NEPJUHHUSA-N 1 0 277.372 0.584 10 0 CCAERO CC[NH2+]CCNC(=O)[C@@H]1Cc2ccccc2CN1C(C)=O ZINC000151357347 276266367 /nfs/dbraw/zinc/26/63/67/276266367.db2.gz ZBPYEMUSDCYODP-HNNXBMFYSA-N 1 0 289.379 0.686 10 0 CCAERO CC[NH+](CC)CCN1C[C@@H](C)O[C@@H](C(=O)OC)C1 ZINC000181371314 276326346 /nfs/dbraw/zinc/32/63/46/276326346.db2.gz KHQVPFMSQVLCPU-VXGBXAGGSA-N 1 0 258.362 0.591 10 0 CCAERO CCc1noc(NC(=O)N2CC[C@H](C)C[C@H]2C[NH3+])n1 ZINC000333345659 276684806 /nfs/dbraw/zinc/68/48/06/276684806.db2.gz QMRUBMYXJBYXMW-IUCAKERBSA-N 1 0 267.333 0.645 10 0 CCAERO CCn1c(=O)c2sccc2nc1N1CC[NH2+]CC1 ZINC000057346657 276708944 /nfs/dbraw/zinc/70/89/44/276708944.db2.gz LMFZVHFTPSCPGX-UHFFFAOYSA-N 1 0 264.354 0.888 10 0 CCAERO CN(C(=O)N[C@H]1C[C@@H]1c1ccccc1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333787365 276738947 /nfs/dbraw/zinc/73/89/47/276738947.db2.gz LXMYCNGIUJRMMW-RFGFWPKPSA-N 1 0 275.352 0.517 10 0 CCAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CCC[C@H](O)C2)C1 ZINC000129240677 276783939 /nfs/dbraw/zinc/78/39/39/276783939.db2.gz RYTOFVZOFBTOBG-UTUOFQBUSA-N 1 0 255.362 0.635 10 0 CCAERO CN(CC[NH+](C)C)C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000407986873 276786133 /nfs/dbraw/zinc/78/61/33/276786133.db2.gz AXQBOOGHXJLLFF-NSHDSACASA-N 1 0 282.388 0.391 10 0 CCAERO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cc2ccccc2n1C ZINC000067820531 277010094 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CC(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261781425 278118859 /nfs/dbraw/zinc/11/88/59/278118859.db2.gz PGXZZJZFASDOPZ-BFHYXJOUSA-N 1 0 281.400 0.736 10 0 CCAERO CC1(C)CC[C@@H](C[N@@H+]2CCC[C@@](O)(C(N)=O)C2)O1 ZINC000311197911 278264066 /nfs/dbraw/zinc/26/40/66/278264066.db2.gz JASOTZQPLPSESO-GWCFXTLKSA-N 1 0 256.346 0.256 10 0 CCAERO CC1(C)CN(C(=O)NC[C@@H]2CCCO2)CC[C@H]1[NH3+] ZINC000334600893 278302551 /nfs/dbraw/zinc/30/25/51/278302551.db2.gz SQMCMRSAWNVNRP-WDEREUQCSA-N 1 0 255.362 0.934 10 0 CCAERO CC(C)(C)OC(=O)N1CC2(C1)[C@H](C[NH3+])CCS2(=O)=O ZINC000091303257 278380368 /nfs/dbraw/zinc/38/03/68/278380368.db2.gz HCZVHKHJUDCZEO-VIFPVBQESA-N 1 0 290.385 0.369 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N[C@H]1CCO[C@H]1C1CC1 ZINC000333650105 279032288 /nfs/dbraw/zinc/03/22/88/279032288.db2.gz VPMYITRTSYXXPP-BQUFFADESA-N 1 0 267.373 0.994 10 0 CCAERO Cc1nc2ccc(N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)nn2n1 ZINC000333611231 279125745 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ZINC000107779098 295082005 /nfs/dbraw/zinc/08/20/05/295082005.db2.gz OKNAPZLYGMYIKP-LBPRGKRZSA-N 1 0 282.388 0.522 10 0 CCAERO NC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000262604437 295083255 /nfs/dbraw/zinc/08/32/55/295083255.db2.gz FLQAKRBGQJRHDN-UTUOFQBUSA-N 1 0 282.388 0.553 10 0 CCAERO NC(=O)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261886149 295271377 /nfs/dbraw/zinc/27/13/77/295271377.db2.gz ZSBQIOCWRCSZAU-IJLUTSLNSA-N 1 0 267.373 0.618 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H]1CCS(=O)(=O)C1 ZINC000094449407 297096105 /nfs/dbraw/zinc/09/61/05/297096105.db2.gz XHTDOCNGFQUPPY-FRRDWIJNSA-N 1 0 272.414 0.590 10 0 CCAERO NC(=O)[C@H]1COCCN1C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000329536329 303231160 /nfs/dbraw/zinc/23/11/60/303231160.db2.gz UJPORLGCZDHNQB-NEPJUHHUSA-N 1 0 281.356 0.623 10 0 CCAERO NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000228490021 303269939 /nfs/dbraw/zinc/26/99/39/303269939.db2.gz UGDMMCUCYVSNES-AXFHLTTASA-N 1 0 269.345 0.197 10 0 CCAERO C[C@H]1C(=O)NCCCN1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000191452481 330142514 /nfs/dbraw/zinc/14/25/14/330142514.db2.gz CYLXDUJNHDVZGK-NWDGAFQWSA-N 1 0 282.388 0.248 10 0 CCAERO C[C@H]1CN(C(=O)C2CCN(C(=O)N(C)C)CC2)C[C@@H]1[NH3+] ZINC000577491867 335358376 /nfs/dbraw/zinc/35/83/76/335358376.db2.gz PXPYYABXEUFPPT-JQWIXIFHSA-N 1 0 282.388 0.186 10 0 CCAERO CCC[C@H](C(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1)[NH+](C)C ZINC000180670324 335616522 /nfs/dbraw/zinc/61/65/22/335616522.db2.gz JPWAXYKAASTVAZ-YNEHKIRRSA-N 1 0 299.415 0.469 10 0 CCAERO CCCCOC[C@@H](O)C[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000578437226 335633938 /nfs/dbraw/zinc/63/39/38/335633938.db2.gz WQWGVMQTUXHOTA-QWHCGFSZSA-N 1 0 293.429 0.721 10 0 CCAERO Cc1cnc(N2CCC[C@@H](C(=O)NCC[NH3+])C2)nc1C ZINC000386588015 336176404 /nfs/dbraw/zinc/17/64/04/336176404.db2.gz VVVNPIVNCJDXOE-GFCCVEGCSA-N 1 0 277.372 0.385 10 0 CCAERO CC(C)[C@H](C[NH+](C)C)NS(=O)(=O)c1cn[nH]c1 ZINC000049231377 519814692 /nfs/dbraw/zinc/81/46/92/519814692.db2.gz NVTTYKJIKWBREF-JTQLQIEISA-N 1 0 260.363 0.274 10 0 CCAERO CC[NH2+]CCS(=O)(=O)NCCc1ccccc1 ZINC000049641537 519925977 /nfs/dbraw/zinc/92/59/77/519925977.db2.gz VLEFCEWMJSKGGQ-UHFFFAOYSA-N 1 0 256.371 0.758 10 0 CCAERO CC[NH2+]C[C@@H](C)C(=O)N[C@@H](C)CN1CCCC1=O ZINC000061234915 519936406 /nfs/dbraw/zinc/93/64/06/519936406.db2.gz VMWGRZBVGLIUOD-MNOVXSKESA-N 1 0 255.362 0.359 10 0 CCAERO CCCN(CC[NH+](C)C)S(=O)(=O)c1cnc(N)nc1 ZINC000050673407 521658000 /nfs/dbraw/zinc/65/80/00/521658000.db2.gz SYYKEUJFAUBKTB-UHFFFAOYSA-N 1 0 287.389 0.021 10 0 CCAERO C[NH2+]CCS(=O)(=O)N(C)CCc1ccncc1 ZINC000049630262 522011250 /nfs/dbraw/zinc/01/12/50/522011250.db2.gz IFNMSXVDOREYEC-UHFFFAOYSA-N 1 0 257.359 0.105 10 0 CCAERO CN[C@@H](CC[N@H+](C)C1CCN(C)CC1)C(=O)OC ZINC000062443287 522341872 /nfs/dbraw/zinc/34/18/72/522341872.db2.gz ZWHGUAWAJWVELT-LBPRGKRZSA-N 1 0 257.378 0.164 10 0 CCAERO C[NH2+][C@H](CCN(C)c1cccc(OC)c1)C(N)=O ZINC000062528370 522459130 /nfs/dbraw/zinc/45/91/30/522459130.db2.gz QCKYKBJNYLVXGW-GFCCVEGCSA-N 1 0 251.330 0.595 10 0 CCAERO CN[C@H](CCN1CC[NH+](C(C)C)CC1)C(=O)OC ZINC000062449976 522459239 /nfs/dbraw/zinc/45/92/39/522459239.db2.gz FFCHRPUSYMFJIC-GFCCVEGCSA-N 1 0 257.378 0.164 10 0 CCAERO Cc1cc(NC[C@@H]2C[NH2+]C[C@@H]2O)ncc1Br ZINC000420247925 534034843 /nfs/dbraw/zinc/03/48/43/534034843.db2.gz VFZXMXYQLPPSCS-WPRPVWTQSA-N 1 0 286.173 0.567 10 0 CCAERO CC(C)[C@@H](CN(C)C)[NH2+]C[C@H](O)COCC1CC1 ZINC000049204375 519793540 /nfs/dbraw/zinc/79/35/40/519793540.db2.gz HTJDYLNJFLZKLS-UONOGXRCSA-N 1 0 258.406 0.950 10 0 CCAERO CC(C)[C@H](CN(C)C)[NH2+]CC(=O)NCC(F)(F)F ZINC000049309935 519814402 /nfs/dbraw/zinc/81/44/02/519814402.db2.gz DBHWSNQMXWMZMD-VIFPVBQESA-N 1 0 269.311 0.841 10 0 CCAERO CCCNC(=O)CNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000156406977 519878490 /nfs/dbraw/zinc/87/84/90/519878490.db2.gz VDJBESLQEKOGGK-NWDGAFQWSA-N 1 0 284.404 0.541 10 0 CCAERO CCCNC(=O)[C@H](C)[NH2+]C[C@@H](O)COC(C)(C)C ZINC000049203736 519892569 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520164987 /nfs/dbraw/zinc/16/49/87/520164987.db2.gz JGCWNFOYMUWGPA-PWSUYJOCSA-N 1 0 267.373 0.644 10 0 CCAERO CCO[C@@H](C[NH3+])CN1C(=O)NC2(CCCCC2)C1=O ZINC000062740002 520310730 /nfs/dbraw/zinc/31/07/30/520310730.db2.gz AZHDTKWWLQIXCS-JTQLQIEISA-N 1 0 269.345 0.605 10 0 CCAERO CCOC(=O)N[C@H]1CCCN(C(=O)C(C)(C)[NH2+]C)C1 ZINC000061317572 520992596 /nfs/dbraw/zinc/99/25/96/520992596.db2.gz LTJNNTWEPYKHHD-JTQLQIEISA-N 1 0 271.361 0.722 10 0 CCAERO CCN(CCC[NH2+]CCOC(C)C)S(C)(=O)=O ZINC000049259489 521022153 /nfs/dbraw/zinc/02/21/53/521022153.db2.gz RDXJOHXDVKDZRS-UHFFFAOYSA-N 1 0 266.407 0.673 10 0 CCAERO CCN(CCOC)S(=O)(=O)C[C@@H]1CCC[NH2+]C1 ZINC000049645146 521137186 /nfs/dbraw/zinc/13/71/86/521137186.db2.gz UHFGYAYOWQZWTK-LLVKDONJSA-N 1 0 264.391 0.284 10 0 CCAERO CCC[C@H](NC(N)=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366544723 521149813 /nfs/dbraw/zinc/14/98/13/521149813.db2.gz NCIJOBBXHSDLQD-SMDDNHRTSA-N 1 0 282.388 0.378 10 0 CCAERO CCC[C@]1(C(=O)N(CC(N)=O)C(C)C)CCC[NH2+]C1 ZINC000062854058 521297245 /nfs/dbraw/zinc/29/72/45/521297245.db2.gz JFUZXRAKUNCQPC-AWEZNQCLSA-N 1 0 269.389 0.879 10 0 CCAERO CCCN(CC(F)(F)F)[C@H]1CS(=O)(=O)C[C@@H]1[NH3+] ZINC000054493463 521587092 /nfs/dbraw/zinc/58/70/92/521587092.db2.gz CMHJWGFJACLJGJ-YUMQZZPRSA-N 1 0 274.308 0.385 10 0 CCAERO CCN1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])[C@H](C)C2)CC1 ZINC000055124615 521667799 /nfs/dbraw/zinc/66/77/99/521667799.db2.gz FXQOQYQPNNUJBS-UPJWGTAASA-N 1 0 253.390 0.914 10 0 CCAERO CCNC(=O)CN(C)C(=O)[C@@H]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000055139520 521736124 /nfs/dbraw/zinc/73/61/24/521736124.db2.gz VGYJDNNUJKAZNZ-MXWKQRLJSA-N 1 0 255.362 0.344 10 0 CCAERO COCC[C@@H]([NH3+])C(=O)Nc1cccnc1N(C)C ZINC000052792305 521832404 /nfs/dbraw/zinc/83/24/04/521832404.db2.gz YNQGLNHLXNKXPM-SECBINFHSA-N 1 0 252.318 0.450 10 0 CCAERO C[NH+](C)Cc1ccc(NC(=O)c2n[nH]c(N)n2)cc1 ZINC000055166261 521910076 /nfs/dbraw/zinc/91/00/76/521910076.db2.gz UDXXSUOQOSQGOH-UHFFFAOYSA-N 1 0 260.301 0.701 10 0 CCAERO C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)C1CCOCC1 ZINC000063168059 522039617 /nfs/dbraw/zinc/03/96/17/522039617.db2.gz HGIBKTLUEFHVEZ-NSHDSACASA-N 1 0 276.402 0.569 10 0 CCAERO C[NH2+]Cc1cn(CCN2C[C@H](C)O[C@@H](C)C2)nn1 ZINC000052380542 522146367 /nfs/dbraw/zinc/14/63/67/522146367.db2.gz QIUBWOJTLWOCQZ-QWRGUYRKSA-N 1 0 253.350 0.107 10 0 CCAERO COC[C@H](C)NC(=O)C[NH2+][C@H](C)Cn1ccnc1 ZINC000049291050 522603179 /nfs/dbraw/zinc/60/31/79/522603179.db2.gz RLVWUGGMAJLRAP-MNOVXSKESA-N 1 0 254.334 0.012 10 0 CCAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)CNCC(F)(F)F ZINC000078596582 523073256 /nfs/dbraw/zinc/07/32/56/523073256.db2.gz RSMAHGLLCAKCOQ-SECBINFHSA-N 1 0 267.295 0.548 10 0 CCAERO COCCCNC(=O)[C@H](C)[NH2+]CC1CCOCC1 ZINC000070160980 523357068 /nfs/dbraw/zinc/35/70/68/523357068.db2.gz CWTPYSMVHIWFFA-NSHDSACASA-N 1 0 258.362 0.544 10 0 CCAERO CC[C@@H]1CN(CCn2ccnc2)CC[N@@H+]1C[C@@H](C)O ZINC000161670490 523445972 /nfs/dbraw/zinc/44/59/72/523445972.db2.gz BNMAIDVOWBFLQG-ZIAGYGMSSA-N 1 0 266.389 0.660 10 0 CCAERO COC(=O)[C@@H](CCN1CC[NH+](C)CC1)NC(C)C ZINC000062440591 523572292 /nfs/dbraw/zinc/57/22/92/523572292.db2.gz XYQYUZUPAYCCIA-GFCCVEGCSA-N 1 0 257.378 0.164 10 0 CCAERO COC(=O)[C@@H](N)CCN1CC[NH+](C(C)(C)C)CC1 ZINC000062523738 523596269 /nfs/dbraw/zinc/59/62/69/523596269.db2.gz PWLXTHWRBJBCHJ-NSHDSACASA-N 1 0 257.378 0.293 10 0 CCAERO COc1ccc(C)cc1C[C@@H]([NH3+])CS(C)(=O)=O ZINC000052788814 523814164 /nfs/dbraw/zinc/81/41/64/523814164.db2.gz IRJBNIHTANJTEW-LLVKDONJSA-N 1 0 257.355 0.918 10 0 CCAERO COC(=O)[C@H](NC(=O)[C@@]1(F)CC[NH2+]C1)c1ccccc1 ZINC000151081297 523920023 /nfs/dbraw/zinc/92/00/23/523920023.db2.gz HKWQEPWLSXCZLJ-BXUZGUMPSA-N 1 0 280.299 0.719 10 0 CCAERO COCC[NH2+]CCN(C)c1ncnc2c1CCC2 ZINC000061278361 523937212 /nfs/dbraw/zinc/93/72/12/523937212.db2.gz FDEMINOAFUIPHS-UHFFFAOYSA-N 1 0 250.346 0.638 10 0 CCAERO CN(C(=O)c1csc(N)n1)[C@@H]1CCC[N@H+](C)C1 ZINC000055189334 523963069 /nfs/dbraw/zinc/96/30/69/523963069.db2.gz ZHQKZXXWKFFFHO-MRVPVSSYSA-N 1 0 254.359 0.892 10 0 CCAERO CN(C)C(=O)CCNC(=O)[C@@H]1CCC[C@H](C[NH3+])C1 ZINC000055161824 523982091 /nfs/dbraw/zinc/98/20/91/523982091.db2.gz MUQNLJDYVCWINX-WDEREUQCSA-N 1 0 255.362 0.346 10 0 CCAERO C[N@@H+]1CC[C@H](NC(=O)c2nc(N)ccc2Cl)C1 ZINC000050709098 523987280 /nfs/dbraw/zinc/98/72/80/523987280.db2.gz FJNXGEOBHFIFPI-ZETCQYMHSA-N 1 0 254.721 0.751 10 0 CCAERO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1cnc(Cl)nc1 ZINC000049559297 524168943 /nfs/dbraw/zinc/16/89/43/524168943.db2.gz YEJAZGULFJKUPF-MRVPVSSYSA-N 1 0 292.792 0.749 10 0 CCAERO C[C@@H](CN1CCCC1)[NH2+]C[C@@H](O)Cn1cccn1 ZINC000049163989 524592508 /nfs/dbraw/zinc/59/25/08/524592508.db2.gz FHBDVEBCTALDCQ-QWHCGFSZSA-N 1 0 252.362 0.318 10 0 CCAERO C[C@@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)N1CCCC[C@@H]1C(N)=O ZINC000055135154 524601056 /nfs/dbraw/zinc/60/10/56/524601056.db2.gz YSSDIJCROSDBJB-WISYIIOYSA-N 1 0 267.373 0.616 10 0 CCAERO CC(=O)c1c(C)[nH]c(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1C ZINC000262142312 534800009 /nfs/dbraw/zinc/80/00/09/534800009.db2.gz HFNMSKQAXJEQOR-MNOVXSKESA-N 1 0 279.340 0.144 10 0 CCAERO Cc1cc(CS(=O)(=O)N[C@H]2CCC[C@@H]2[NH3+])no1 ZINC000063175426 524812777 /nfs/dbraw/zinc/81/27/77/524812777.db2.gz KTOAFDOQGAMIFJ-UWVGGRQHSA-N 1 0 259.331 0.282 10 0 CCAERO C[C@H](NC(=O)CN1CCC[NH2+]CC1)c1ccccn1 ZINC000061269630 524951471 /nfs/dbraw/zinc/95/14/71/524951471.db2.gz PIYPMDLZSHKKAN-LBPRGKRZSA-N 1 0 262.357 0.554 10 0 CCAERO C[C@@H]1CN(Cc2cc(=O)n3ncsc3n2)C[C@@H](C)[NH2+]1 ZINC000070077960 524983142 /nfs/dbraw/zinc/98/31/42/524983142.db2.gz LSUXWJUQKQHGQJ-RKDXNWHRSA-N 1 0 279.369 0.333 10 0 CCAERO Cc1ccc(NC(=O)CS(=O)(=O)CCC[NH3+])cc1 ZINC000058250402 525072302 /nfs/dbraw/zinc/07/23/02/525072302.db2.gz ZDERGZDXJGZHKJ-UHFFFAOYSA-N 1 0 270.354 0.697 10 0 CCAERO Cc1cc(NS(=O)(=O)C2CC[NH2+]CC2)n(C)n1 ZINC000049641569 525285866 /nfs/dbraw/zinc/28/58/66/525285866.db2.gz RMZOGNTXWMCKNB-UHFFFAOYSA-N 1 0 258.347 0.222 10 0 CCAERO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(N)=O)[C@H]1CCCO1 ZINC000183141442 525414364 /nfs/dbraw/zinc/41/43/64/525414364.db2.gz XZTMKQXUHJJQKN-ZWNOBZJWSA-N 1 0 291.351 0.881 10 0 CCAERO Cc1ccc(O[C@H](C)C(=O)N2CCOCC2)c(N)n1 ZINC000050440967 525463583 /nfs/dbraw/zinc/46/35/83/525463583.db2.gz UDOJVKNDKNOTSJ-SNVBAGLBSA-N 1 0 265.313 0.598 10 0 CCAERO CSCC[C@H]([NH3+])C(=O)NCCCC(C)(C)CO ZINC000157431659 525582584 /nfs/dbraw/zinc/58/25/84/525582584.db2.gz FAQOOQDUPSYWNF-JTQLQIEISA-N 1 0 262.419 0.982 10 0 CCAERO C[C@@]1(n2cc(CCC[NH3+])cn2)CCS(=O)(=O)C1 ZINC000054670089 525910314 /nfs/dbraw/zinc/91/03/14/525910314.db2.gz QKQDQZPPSWAJEO-LLVKDONJSA-N 1 0 257.359 0.308 10 0 CCAERO Cc1noc([C@H]2COCCN2C(=O)C[N@@H+](C)C(C)C)n1 ZINC000155385668 526671764 /nfs/dbraw/zinc/67/17/64/526671764.db2.gz ILLWHQUQYGTKAO-LLVKDONJSA-N 1 0 282.344 0.618 10 0 CCAERO NS(=O)(=O)c1ccc(NC(=[NH2+])NC2CC2)cc1 ZINC000052069556 526828675 /nfs/dbraw/zinc/82/86/75/526828675.db2.gz UMHDZIQKTNJFSD-UHFFFAOYSA-N 1 0 254.315 0.433 10 0 CCAERO O=S(=O)(C[C@@H]1CCCC[NH2+]1)N1CCC[C@H](CO)C1 ZINC000049631152 527181578 /nfs/dbraw/zinc/18/15/78/527181578.db2.gz OWYMHRJDKAFPQK-RYUDHWBXSA-N 1 0 276.402 0.163 10 0 CCAERO O=S(=O)(C[C@@H]1CCCC[NH2+]1)NC1CCC(O)CC1 ZINC000049630790 527181956 /nfs/dbraw/zinc/18/19/56/527181956.db2.gz SZRCFASLTCVBJP-CXQJBGSLSA-N 1 0 276.402 0.351 10 0 CCAERO O=S(=O)(C[C@@H]1CCC[NH2+]C1)Nc1ccccn1 ZINC000049632065 527183099 /nfs/dbraw/zinc/18/30/99/527183099.db2.gz OPXAOBVQVYQPDM-SNVBAGLBSA-N 1 0 255.343 0.823 10 0 CCAERO O=C(Cc1c(F)cccc1Cl)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262242116 527199113 /nfs/dbraw/zinc/19/91/13/527199113.db2.gz KZZPQTWGUPXSPQ-QPUJVOFHSA-N 1 0 286.734 0.718 10 0 CCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCC(=O)NCC(F)(F)F ZINC000261672699 527236615 /nfs/dbraw/zinc/23/66/15/527236615.db2.gz GEGGNSJIRVBOLX-HTQZYQBOSA-N 1 0 281.278 0.156 10 0 CCAERO O=S1(=O)CC[C@@H](C[NH2+]CCCOCC(F)(F)F)C1 ZINC000049312389 527307218 /nfs/dbraw/zinc/30/72/18/527307218.db2.gz GUHVAVGICQHAOV-VIFPVBQESA-N 1 0 289.319 0.980 10 0 CCAERO O=S1(=O)CC[C@@H]([NH2+][C@@H]2CCN3CCCC[C@@H]23)C1 ZINC000049564699 527310329 /nfs/dbraw/zinc/31/03/29/527310329.db2.gz HHXXIHFODUJPIR-UTUOFQBUSA-N 1 0 258.387 0.390 10 0 CCAERO CC(C)Oc1cccnc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262056060 535067380 /nfs/dbraw/zinc/06/73/80/535067380.db2.gz ANEAWTAMHHIESM-WDEREUQCSA-N 1 0 279.340 0.179 10 0 CCAERO CC(C)n1cnnc1CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261659318 535111514 /nfs/dbraw/zinc/11/15/14/535111514.db2.gz FCJQIMZEKSLPTR-GHMZBOCLSA-N 1 0 265.361 0.850 10 0 CCAERO CS(=O)(=O)N([C@@H](CC[NH3+])C(F)(F)F)C1CC1 ZINC000675059001 545320755 /nfs/dbraw/zinc/32/07/55/545320755.db2.gz GILKQHWYDLNOLW-ZETCQYMHSA-N 1 0 260.281 0.690 10 0 CCAERO CCCCS(=O)(=O)N1CCO[C@](CC)(C[NH3+])C1 ZINC000675059717 545320885 /nfs/dbraw/zinc/32/08/85/545320885.db2.gz VMOIHHVWUFLZJW-LLVKDONJSA-N 1 0 264.391 0.556 10 0 CCAERO CC(C)C[C@@](C)(C[NH3+])NC(=O)CNC(=O)c1ccccn1 ZINC000262577180 535295585 /nfs/dbraw/zinc/29/55/85/535295585.db2.gz KAZUSMFUHXPYOC-HNNXBMFYSA-N 1 0 292.383 0.691 10 0 CCAERO CC1(C)CN(C(=O)c2cccc(C(N)=O)c2)CC[C@H]1[NH3+] ZINC000261752199 535349495 /nfs/dbraw/zinc/34/94/95/535349495.db2.gz MYRGFKMYOLBRML-GFCCVEGCSA-N 1 0 275.352 0.985 10 0 CCAERO C[NH2+][C@H](C(=O)N(C)CCc1ccncc1)c1cnn(C)c1 ZINC000262405428 536378956 /nfs/dbraw/zinc/37/89/56/536378956.db2.gz PYAHTKOMJZRUNV-AWEZNQCLSA-N 1 0 287.367 0.777 10 0 CCAERO CN[C@H](C(=O)NC[C@H](C1CC1)[NH+](C)C)c1cnn(C)c1 ZINC000262356917 536383376 /nfs/dbraw/zinc/38/33/76/536383376.db2.gz JUJNCEUQRXQPKL-OLZOCXBDSA-N 1 0 279.388 0.137 10 0 CCAERO COc1ccc(F)cc1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262087721 536614577 /nfs/dbraw/zinc/61/45/77/536614577.db2.gz CUQFEKSYZLHENL-KCJUWKMLSA-N 1 0 268.288 0.144 10 0 CCAERO COCc1nc(CNC[C@]2(O)CC[N@H+](C)C2)cs1 ZINC000680815530 545434924 /nfs/dbraw/zinc/43/49/24/545434924.db2.gz RXGUCELKPZGJAF-GFCCVEGCSA-N 1 0 271.386 0.446 10 0 CCAERO CCN1CCO[C@H](C[NH2+]Cc2c(C)cnn2C)C1 ZINC000394886683 581168925 /nfs/dbraw/zinc/16/89/25/581168925.db2.gz RBKHCRZEUJGESL-GFCCVEGCSA-N 1 0 252.362 0.539 10 0 CCAERO OCCN1CCC[C@@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000395007075 581169874 /nfs/dbraw/zinc/16/98/74/581169874.db2.gz RYMWFSJRSVWWGQ-OAHLLOKOSA-N 1 0 264.369 0.725 10 0 CCAERO C[C@@H](Cn1cccn1)[NH2+]C1CCN(CCO)CC1 ZINC000399276774 581208988 /nfs/dbraw/zinc/20/89/88/581208988.db2.gz VZFQWSDLVQLFTN-LBPRGKRZSA-N 1 0 252.362 0.318 10 0 CCAERO C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[C@H]1C(N)=O ZINC000757161519 581696796 /nfs/dbraw/zinc/69/67/96/581696796.db2.gz TTWNGUIDMGTJST-WCFLWFBJSA-N 1 0 291.351 0.005 10 0 CCAERO [NH3+][C@H](CS(=O)(=O)N1CCCCC1)[C@@H]1CCCOC1 ZINC000757149802 581697112 /nfs/dbraw/zinc/69/71/12/581697112.db2.gz GNQIWPHXRACBPB-VXGBXAGGSA-N 1 0 276.402 0.556 10 0 CCAERO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NS(C)(=O)=O)C2 ZINC000888098715 614281386 /nfs/dbraw/zinc/28/13/86/614281386.db2.gz KIYWBHNTNWSRMP-DDHJBXDOSA-N 1 0 276.402 0.015 10 0 CCAERO CC(C)c1noc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)n1 ZINC000888395597 614340956 /nfs/dbraw/zinc/34/09/56/614340956.db2.gz ZZNJZQNZCBZWOK-SNVBAGLBSA-N 1 0 297.359 0.987 10 0 CCAERO CCN(CC)C(=O)CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000136181568 614974927 /nfs/dbraw/zinc/97/49/27/614974927.db2.gz JIUJXPYZRYRNCL-CYBMUJFWSA-N 1 0 255.362 0.503 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CNC(=O)N1CCCC1 ZINC000900926353 615143518 /nfs/dbraw/zinc/14/35/18/615143518.db2.gz GLQGIAGDVXZEHL-ZDUSSCGKSA-N 1 0 296.415 0.735 10 0 CCAERO CC[C@@H](C(=O)N[C@@H]1C[C@@H](O)[C@@H]1n1cccn1)[NH+](C)C ZINC000909196686 615384678 /nfs/dbraw/zinc/38/46/78/615384678.db2.gz LSYXLYHIFJGXJL-WRWGMCAJSA-N 1 0 266.345 0.014 10 0 CCAERO CCc1cc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)no1 ZINC000890469625 615616692 /nfs/dbraw/zinc/61/66/92/615616692.db2.gz YVHKHGYHJHKTTK-QWHCGFSZSA-N 1 0 279.340 0.782 10 0 CCAERO CC[S@@](=O)CC[NH2+]Cc1c(C)nn(C)c1OC ZINC000134735127 616005701 /nfs/dbraw/zinc/00/57/01/616005701.db2.gz GPEMGOZNPSDSBC-KRWDZBQOSA-N 1 0 259.375 0.595 10 0 CCAERO CCn1cc(O[C@@H]2C[N@H+](Cc3cc[nH]c3)C[C@H]2O)cn1 ZINC000886079693 616009198 /nfs/dbraw/zinc/00/91/98/616009198.db2.gz UMZJORUCPNWZTG-ZIAGYGMSSA-N 1 0 276.340 0.855 10 0 CCAERO CN(C)c1ncc(C[NH2+][C@H]2C[C@@H](O)[C@@H]2n2cccn2)n1C ZINC000888076164 616036351 /nfs/dbraw/zinc/03/63/51/616036351.db2.gz CBDSZNLISOMUSK-YNEHKIRRSA-N 1 0 290.371 0.147 10 0 CCAERO COCC[N@@H+]1CCN(CN2C(=O)CC(C)(C)C2=O)C[C@H]1C ZINC000117322013 616369876 /nfs/dbraw/zinc/36/98/76/616369876.db2.gz SMHFXOVSNZZFKI-GFCCVEGCSA-N 1 0 297.399 0.382 10 0 CCAERO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCC[C@H](C(C)=O)C1 ZINC000300263625 616623725 /nfs/dbraw/zinc/62/37/25/616623725.db2.gz WLKFKXVNZPJCTA-UBHSHLNASA-N 1 0 273.373 0.700 10 0 CCAERO CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2NC(=O)Cn2cccn2)C1 ZINC000886086428 616656240 /nfs/dbraw/zinc/65/62/40/616656240.db2.gz URZTZXRKXLJVLC-MCIONIFRSA-N 1 0 292.383 0.641 10 0 CCAERO CO[C@@H]1C[C@H](c2ncc[nH]2)N(CCC(=O)N(C)C)C1 ZINC000888079172 616874626 /nfs/dbraw/zinc/87/46/26/616874626.db2.gz HHVZSBBGNOTEDR-GHMZBOCLSA-N 1 0 266.345 0.650 10 0 CCAERO COC(=O)N[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1C)C(C)C ZINC000108449793 616902861 /nfs/dbraw/zinc/90/28/61/616902861.db2.gz WFTHPVSZOWTNPN-GHMZBOCLSA-N 1 0 271.361 0.577 10 0 CCAERO CO[C@H]1C[C@@H](C(=O)Nc2cc(C[NH+](C)C)ccn2)N(C)C1 ZINC000886031663 617119207 /nfs/dbraw/zinc/11/92/07/617119207.db2.gz KKGLCEOAJDEXJD-STQMWFEESA-N 1 0 292.383 0.801 10 0 CCAERO C[C@@H](NC[C@@H](O)COC(C)(C)C)c1nnnn1C1CC1 ZINC000191465968 625472842 /nfs/dbraw/zinc/47/28/42/625472842.db2.gz PWUJMBDPGGVPMA-MWLCHTKSSA-N 1 0 283.376 0.835 10 0 CCAERO COC(=O)N[C@@H](C(=O)N(C)[C@H]1CC[NH2+]C1)C(C)C ZINC000179051759 623068118 /nfs/dbraw/zinc/06/81/18/623068118.db2.gz CQEFWYRPKMSWNH-VHSXEESVSA-N 1 0 257.334 0.187 10 0 CCAERO [NH3+]CCc1ccccc1C(=O)NC[C@@H](O)C(F)(F)F ZINC000236281406 623492814 /nfs/dbraw/zinc/49/28/14/623492814.db2.gz CHHOCOOUXYAOEH-SNVBAGLBSA-N 1 0 276.258 0.841 10 0 CCAERO Cc1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2O)s1 ZINC000050225477 624801010 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251.355 0.994 10 0 CCAERO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CNC(=O)C2)C1 ZINC000617350694 365617233 /nfs/dbraw/zinc/61/72/33/365617233.db2.gz ARCXDVKLWXCQGL-VHSXEESVSA-N 1 0 253.346 0.112 10 0 CCAERO C[NH+](C)C[C@@H]1CN(C(=O)CC2(O)CCCC2)CCO1 ZINC000174923689 282122984 /nfs/dbraw/zinc/12/29/84/282122984.db2.gz HOKNPUNYBMZYAO-GFCCVEGCSA-N 1 0 270.373 0.471 10 0 CCAERO C[NH+](C)C[C@@H]1CN(C(=O)NC2CCC(O)CC2)CCO1 ZINC000172113463 282123498 /nfs/dbraw/zinc/12/34/98/282123498.db2.gz ZDXHYSUCEBMXLA-WXRRBKDZSA-N 1 0 285.388 0.262 10 0 CCAERO Cc1nccnc1S(=O)(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000095068774 349585612 /nfs/dbraw/zinc/58/56/12/349585612.db2.gz GZWFQWGIEJMITO-SNVBAGLBSA-N 1 0 270.358 0.063 10 0 CCAERO O=S(=O)(C[C@@H]1CC[NH2+]C1)c1ncc(Cl)cn1 ZINC000095070003 349586965 /nfs/dbraw/zinc/58/69/65/349586965.db2.gz NKALHTVLRZKTBO-SSDOTTSWSA-N 1 0 261.734 0.513 10 0 CCAERO CCc1cc(OC)c(CNC(=O)C[NH3+])cc1OC ZINC000096889149 185123876 /nfs/dbraw/zinc/12/38/76/185123876.db2.gz SPEWSZUMMGPEDN-UHFFFAOYSA-N 1 0 252.314 0.841 10 0 CCAERO CN1CC[NH2+]C[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC000096957886 185141702 /nfs/dbraw/zinc/14/17/02/185141702.db2.gz GZEPNHWIMXXJST-CYBMUJFWSA-N 1 0 255.362 0.901 10 0 CCAERO CCC[N@@H+]1CC[C@H](CNC(=O)C2=NNC(=O)CC2)C1 ZINC000097055532 349624726 /nfs/dbraw/zinc/62/47/26/349624726.db2.gz RMFHXUVWVNHVEC-SNVBAGLBSA-N 1 0 266.345 0.101 10 0 CCAERO NS(=O)(=O)c1cccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000097092345 349626621 /nfs/dbraw/zinc/62/66/21/349626621.db2.gz OPSZONXKLYJKKV-DTWKUNHWSA-N 1 0 283.353 0.400 10 0 CCAERO C[NH+](C)C[C@H]1CN(S(C)(=O)=O)CC12CCOCC2 ZINC000097942825 349649947 /nfs/dbraw/zinc/64/99/47/349649947.db2.gz WBTYZDCKKPNWJS-NSHDSACASA-N 1 0 276.402 0.236 10 0 CCAERO COC(=O)[C@@H](NC(=O)COC1(C)C[NH2+]C1)c1ccccc1 ZINC000098060771 349651436 /nfs/dbraw/zinc/65/14/36/349651436.db2.gz MPYIWFSYPBCRBD-ZDUSSCGKSA-N 1 0 292.335 0.395 10 0 CCAERO Cc1cc(C(=O)N2C[C@@H](CO)[C@H]([NH+](C)C)C2)c(C)o1 ZINC000253414440 352534127 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NC(=O)NC(=O)OCCCN1CCC([NH+]2CCCC2)CC1 ZINC000120704797 350001377 /nfs/dbraw/zinc/00/13/77/350001377.db2.gz IYKMZFUMVWOIAV-UHFFFAOYSA-N 1 0 298.387 0.742 10 0 CCAERO C[C@@H]1CN(CN2C(=O)c3ccccc3C2=O)C[C@@H](C)[NH2+]1 ZINC000070077223 348871277 /nfs/dbraw/zinc/87/12/77/348871277.db2.gz GSQSICTWUDVGKC-GHMZBOCLSA-N 1 0 273.336 0.922 10 0 CCAERO COc1ccc(-n2nncc2CN2CC[NH2+]CC2)cc1 ZINC000070460960 348890749 /nfs/dbraw/zinc/89/07/49/348890749.db2.gz WDUGHXWXBLAEOX-UHFFFAOYSA-N 1 0 273.340 0.681 10 0 CCAERO CNC(=O)NC(=O)[C@H](C)N1CCC([NH+]2CCCC2)CC1 ZINC000076679961 349089293 /nfs/dbraw/zinc/08/92/93/349089293.db2.gz RJCPDTXRUITBQS-NSHDSACASA-N 1 0 282.388 0.391 10 0 CCAERO COC(=O)[C@H]([C@H]1CCCOC1)N1CCC[NH2+]CC1 ZINC000104324865 185969312 /nfs/dbraw/zinc/96/93/12/185969312.db2.gz FQAQGVWMMQONGD-RYUDHWBXSA-N 1 0 256.346 0.250 10 0 CCAERO C[C@@H]1C[C@@H]1NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000083210921 349303056 /nfs/dbraw/zinc/30/30/56/349303056.db2.gz RUORPKHHCYZWNH-YPMHNXCESA-N 1 0 267.373 0.901 10 0 CCAERO O=C([C@H]1COCCN1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000088371164 349363282 /nfs/dbraw/zinc/36/32/82/349363282.db2.gz XSZMQLYERXDHNI-CQSZACIVSA-N 1 0 281.400 0.309 10 0 CCAERO CC(=O)N(Cc1noc(C(C)C)n1)[C@H]1CC[NH2+]C1 ZINC000088611569 349369297 /nfs/dbraw/zinc/36/92/97/349369297.db2.gz HKZKXXMEXHJIEG-JTQLQIEISA-N 1 0 252.318 0.903 10 0 CCAERO CC1=CC(=O)N(CCOC2CCC([NH3+])CC2)C1=O ZINC000104384731 185988167 /nfs/dbraw/zinc/98/81/67/185988167.db2.gz SXERHHNUPQMGNV-UHFFFAOYSA-N 1 0 252.314 0.588 10 0 CCAERO Cc1cc(CC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)[nH]n1 ZINC000121375704 350035883 /nfs/dbraw/zinc/03/58/83/350035883.db2.gz SJBVEXBDTZDBOD-FZMZJTMJSA-N 1 0 292.383 0.440 10 0 CCAERO CC1(C)OC[C@@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2[NH3+])O1 ZINC000090587554 180009149 /nfs/dbraw/zinc/00/91/49/180009149.db2.gz SHQAHGPRANRAGI-VAPHQMJDSA-N 1 0 259.302 0.342 10 0 CCAERO [NH3+][C@@H]1CCC[C@H](C(=O)NCCCn2ccnn2)C1 ZINC000127107247 350161670 /nfs/dbraw/zinc/16/16/70/350161670.db2.gz DJDHTDIXWOQMOU-WDEREUQCSA-N 1 0 251.334 0.302 10 0 CCAERO C(c1nc([C@@H]2CCOC2)no1)[C@H]1CSCC[NH2+]1 ZINC000091129207 180101244 /nfs/dbraw/zinc/10/12/44/180101244.db2.gz QXGAOIDXGSSHNU-BDAKNGLRSA-N 1 0 255.343 0.821 10 0 CCAERO CNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000128175489 350186408 /nfs/dbraw/zinc/18/64/08/350186408.db2.gz FGRAVWZBGQXFSA-GHMZBOCLSA-N 1 0 279.344 0.412 10 0 CCAERO CC(C)(C(=O)NCCOCC(F)(F)F)N1CC[NH2+]CC1 ZINC000129756076 350222236 /nfs/dbraw/zinc/22/22/36/350222236.db2.gz OFCFRMUVEMHSRS-UHFFFAOYSA-N 1 0 297.321 0.365 10 0 CCAERO COC(=O)C1(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000129259304 350209689 /nfs/dbraw/zinc/20/96/89/350209689.db2.gz SXSGFMOELVZGCO-QWRGUYRKSA-N 1 0 268.357 0.785 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ncn(C)n1 ZINC000130387403 350236057 /nfs/dbraw/zinc/23/60/57/350236057.db2.gz UJAQSQWMPJIBJL-VXGBXAGGSA-N 1 0 292.387 0.583 10 0 CCAERO CCN(C)C(=O)CC[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000130643463 350243097 /nfs/dbraw/zinc/24/30/97/350243097.db2.gz YLMIDUZSBTZTIB-UONOGXRCSA-N 1 0 283.416 0.507 10 0 CCAERO [NH3+]C[C@@H](N1CCCC2(C1)OCCO2)C(F)(F)F ZINC000133665546 350341613 /nfs/dbraw/zinc/34/16/13/350341613.db2.gz JBQPSXPCOOKHJZ-MRVPVSSYSA-N 1 0 254.252 0.715 10 0 CCAERO CCOC(=O)c1cnc(N2CCC[C@@H]2C[NH3+])nc1C ZINC000134319022 350360811 /nfs/dbraw/zinc/36/08/11/350360811.db2.gz HEPUNZMNYYABDV-SNVBAGLBSA-N 1 0 264.329 0.889 10 0 CCAERO CCN1CCO[C@H](C[NH2+]Cc2c(C)n[nH]c2C)C1 ZINC000134439242 350364669 /nfs/dbraw/zinc/36/46/69/350364669.db2.gz CYOYFQZYGCTBGH-GFCCVEGCSA-N 1 0 252.362 0.837 10 0 CCAERO COc1c(C[NH2+]C[C@@H]2CCC[C@@H]2O)c(C)nn1C ZINC000135234846 350388191 /nfs/dbraw/zinc/38/81/91/350388191.db2.gz USUURXRUTLNIHX-JQWIXIFHSA-N 1 0 253.346 0.988 10 0 CCAERO CC1CC[NH+](CC(=O)N[C@H]2CCc3ncnn3C2)CC1 ZINC000137248515 350434659 /nfs/dbraw/zinc/43/46/59/350434659.db2.gz HDDMAPSSDGOKNZ-LBPRGKRZSA-N 1 0 277.372 0.441 10 0 CCAERO CC[C@@H]1CN(CCn2cccn2)CC[N@@H+]1CCOC ZINC000105837233 186076874 /nfs/dbraw/zinc/07/68/74/186076874.db2.gz DIOFXCREKXNSGB-CQSZACIVSA-N 1 0 266.389 0.926 10 0 CCAERO COC(=O)CC[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105909234 186088410 /nfs/dbraw/zinc/08/84/10/186088410.db2.gz NXWQDVRNJWHOSS-UHFFFAOYSA-N 1 0 264.329 0.552 10 0 CCAERO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)C(=O)NCc1ccccc1 ZINC000105933282 186091807 /nfs/dbraw/zinc/09/18/07/186091807.db2.gz OFKJXOFBXXKMML-UKRRQHHQSA-N 1 0 291.395 0.612 10 0 CCAERO CCC(CC)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000105932884 186092783 /nfs/dbraw/zinc/09/27/83/186092783.db2.gz ROYRNYLJWVSXKD-DGCLKSJQSA-N 1 0 271.405 0.600 10 0 CCAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000105932931 186093021 /nfs/dbraw/zinc/09/30/21/186093021.db2.gz PMDPTPVIARZKCN-VXGBXAGGSA-N 1 0 271.405 0.600 10 0 CCAERO O[C@@H]1CCC[N@@H+](C2CCN(c3ncnc(Cl)n3)CC2)C1 ZINC000144536972 350463626 /nfs/dbraw/zinc/46/36/26/350463626.db2.gz FKXLUKQXEFWOQV-LLVKDONJSA-N 1 0 297.790 0.951 10 0 CCAERO [NH3+]C1CCN(c2n[nH]cc2NC(=O)c2cnccn2)CC1 ZINC000145296417 350464768 /nfs/dbraw/zinc/46/47/68/350464768.db2.gz HAYPDNQCGYTOAO-UHFFFAOYSA-N 1 0 287.327 0.380 10 0 CCAERO Brc1cnc(=NN2CCOCC2)[nH]c1 ZINC000148505524 350474111 /nfs/dbraw/zinc/47/41/11/350474111.db2.gz LDUFMBJOQXBHSP-UHFFFAOYSA-N 1 0 259.107 0.898 10 0 CCAERO O=C(c1cc[nH]c(=O)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000150899370 350486830 /nfs/dbraw/zinc/48/68/30/350486830.db2.gz CSOLYTLPUOGELW-LBPRGKRZSA-N 1 0 261.325 0.685 10 0 CCAERO C[NH+](C)C[C@@H]1CN(C(=O)COc2ccccc2O)CCO1 ZINC000151740137 350508513 /nfs/dbraw/zinc/50/85/13/350508513.db2.gz AUKNTPPEYCMZAM-GFCCVEGCSA-N 1 0 294.351 0.560 10 0 CCAERO CSC[C@@H](C)NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000153896246 350566732 /nfs/dbraw/zinc/56/67/32/350566732.db2.gz OJFGRTQZIWZLFI-NEPJUHHUSA-N 1 0 289.445 0.884 10 0 CCAERO C[C@H](CNC(=O)[C@@H]1CC[C@@H](C)O1)C[NH+]1CCN(C)CC1 ZINC000154652921 350596038 /nfs/dbraw/zinc/59/60/38/350596038.db2.gz OBGUIEDDNYFZBK-MCIONIFRSA-N 1 0 283.416 0.554 10 0 CCAERO CCN(CC)S(=O)(=O)CCN[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000154776269 350598714 /nfs/dbraw/zinc/59/87/14/350598714.db2.gz BXOSUQVUSPBXCA-QWHCGFSZSA-N 1 0 291.461 0.588 10 0 CCAERO CN(C[C@@H]1CC[N@H+](C)C1)S(=O)(=O)c1ccc(N)cc1 ZINC000110459605 186297203 /nfs/dbraw/zinc/29/72/03/186297203.db2.gz VFWGOCJKQOFIFO-LLVKDONJSA-N 1 0 283.397 0.841 10 0 CCAERO CCC(=O)N1CC[C@H](C(=O)N2CCO[C@@H](C[NH+](C)C)C2)C1 ZINC000161986815 350732505 /nfs/dbraw/zinc/73/25/05/350732505.db2.gz IBIYKNPNENQWAZ-STQMWFEESA-N 1 0 297.399 0.034 10 0 CCAERO [NH3+][C@H]1CC[C@H](C(=O)N2CCCN(c3cccnn3)CC2)C1 ZINC000167871494 350815287 /nfs/dbraw/zinc/81/52/87/350815287.db2.gz VAIQFJQBUQGKLB-STQMWFEESA-N 1 0 289.383 0.643 10 0 CCAERO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1COCCN1 ZINC000165109092 350787967 /nfs/dbraw/zinc/78/79/67/350787967.db2.gz QSKLOODRYZGCMB-KBPBESRZSA-N 1 0 283.416 0.746 10 0 CCAERO C[NH+](C)[C@@H]1CCN(C(=O)NCC(C)(C)N2CCOCC2)C1 ZINC000170862511 350868701 /nfs/dbraw/zinc/86/87/01/350868701.db2.gz SZKPETWROHAMCE-CYBMUJFWSA-N 1 0 298.431 0.443 10 0 CCAERO Cn1cc(CCC(=O)N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000170864763 350869402 /nfs/dbraw/zinc/86/94/02/350869402.db2.gz DHVMYNSTQKFHJL-GFCCVEGCSA-N 1 0 250.346 0.515 10 0 CCAERO CC[C@@H]1CN(Cc2ncc[nH]2)CC[N@@H+]1CCOC ZINC000111228144 186371444 /nfs/dbraw/zinc/37/14/44/186371444.db2.gz SMQGZZIJKWIOFD-GFCCVEGCSA-N 1 0 252.362 0.952 10 0 CCAERO Cc1nn(C)c(C)c1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171585525 350918621 /nfs/dbraw/zinc/91/86/21/350918621.db2.gz ZVLNHAZJZMPCPQ-GFCCVEGCSA-N 1 0 262.357 0.957 10 0 CCAERO C[N@H+](CCO)C1CCN(CCn2cccn2)CC1 ZINC000171594649 350919348 /nfs/dbraw/zinc/91/93/48/350919348.db2.gz SQAUTPOYUQHCPB-UHFFFAOYSA-N 1 0 252.362 0.272 10 0 CCAERO O[C@H](Cn1cccn1)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171638765 350923131 /nfs/dbraw/zinc/92/31/31/350923131.db2.gz GPNZFXDZPXSEHU-OLZOCXBDSA-N 1 0 250.346 0.024 10 0 CCAERO CC(C)(C)OC[C@H](O)C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000172100697 350958361 /nfs/dbraw/zinc/95/83/61/350958361.db2.gz FFFOVKKLEIATSZ-OLZOCXBDSA-N 1 0 275.389 0.636 10 0 CCAERO C[NH+](C)C[C@@H]1CN(C(=O)NCc2cccnc2)CCO1 ZINC000172113425 350958585 /nfs/dbraw/zinc/95/85/85/350958585.db2.gz VHMZYNPJDYXHKS-CYBMUJFWSA-N 1 0 278.356 0.554 10 0 CCAERO C[NH+](C)C[C@H]1CN(C(=O)NC[C@H]2CCCOC2)CCO1 ZINC000172126208 350958898 /nfs/dbraw/zinc/95/88/98/350958898.db2.gz IOVQHZISHWBFLK-OLZOCXBDSA-N 1 0 285.388 0.385 10 0 CCAERO Cc1cnn(CCNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000172291614 350972163 /nfs/dbraw/zinc/97/21/63/350972163.db2.gz UCGHXENMTUNXFI-CYBMUJFWSA-N 1 0 277.372 0.681 10 0 CCAERO CC(C)NC(=O)NC(=O)[C@@H](C)N1CCC[N@@H+](C2CC2)CC1 ZINC000172346009 350978387 /nfs/dbraw/zinc/97/83/87/350978387.db2.gz KEZHNDCGBLTLSF-GFCCVEGCSA-N 1 0 296.415 0.779 10 0 CCAERO C[C@@H](C(=O)NC[C@H]1CCCO1)N1CCC[N@@H+](C2CC2)CC1 ZINC000172543262 350991059 /nfs/dbraw/zinc/99/10/59/350991059.db2.gz OEEZRZGGBPNSFF-DZGCQCFKSA-N 1 0 295.427 0.840 10 0 CCAERO Cn1cc(N2CC[C@H](N3CC[N@@H+]4CCC[C@@H]4C3)C2=O)cn1 ZINC000171930683 350945000 /nfs/dbraw/zinc/94/50/00/350945000.db2.gz IPQDAWKQYGDNRT-OCCSQVGLSA-N 1 0 289.383 0.305 10 0 CCAERO C[NH+](C)C[C@@H]1CN(C(=O)OCC(F)(F)F)CCO1 ZINC000172046741 350954517 /nfs/dbraw/zinc/95/45/17/350954517.db2.gz BFRJHNXFXHLOJD-MRVPVSSYSA-N 1 0 270.251 0.948 10 0 CCAERO C[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1N1CCOCC1 ZINC000173981605 351065590 /nfs/dbraw/zinc/06/55/90/351065590.db2.gz WANSDMQGXPPNET-DGCLKSJQSA-N 1 0 278.356 0.131 10 0 CCAERO C[C@H]1CN(C(=O)c2ncccc2O)C[C@@H]1N1CCOCC1 ZINC000173980068 351065644 /nfs/dbraw/zinc/06/56/44/351065644.db2.gz JHXVYVFZEVXDBL-RYUDHWBXSA-N 1 0 291.351 0.580 10 0 CCAERO Cn1ccnc(N2CCC[C@@H]([NH2+][C@H]3CCOC3)C2)c1=O ZINC000275486419 282734788 /nfs/dbraw/zinc/73/47/88/282734788.db2.gz ISCSAHZJBBJRON-NEPJUHHUSA-N 1 0 278.356 0.128 10 0 CCAERO CCOCC[N@@H+]1CCN(C(=O)Cc2cc[nH]n2)C[C@H]1CC ZINC000173642796 351047938 /nfs/dbraw/zinc/04/79/38/351047938.db2.gz ZOGJIJNMUBBSLG-CQSZACIVSA-N 1 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GIGOTHNOQUTOMH-UHFFFAOYSA-N 1 0 258.362 0.232 10 0 CCAERO CCCNC(=O)CNC(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000177312120 351201129 /nfs/dbraw/zinc/20/11/29/351201129.db2.gz YETNTUYAUCLSQE-GFCCVEGCSA-N 1 0 284.404 0.638 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCOCCOC ZINC000177436846 351204089 /nfs/dbraw/zinc/20/40/89/351204089.db2.gz RKJAREMPMDVVDN-ZDUSSCGKSA-N 1 0 287.404 0.775 10 0 CCAERO CCC[C@@H](NC(N)=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177571690 351207486 /nfs/dbraw/zinc/20/74/86/351207486.db2.gz FEXSFJIPXUEFSZ-WDEREUQCSA-N 1 0 268.361 0.130 10 0 CCAERO C[NH+](C)CCNC(=O)NCC[C@@H]1c2ccccc2NC1=O ZINC000179212382 351261910 /nfs/dbraw/zinc/26/19/10/351261910.db2.gz LKMNEGAXNAUFCZ-GFCCVEGCSA-N 1 0 290.367 0.973 10 0 CCAERO O=C(CN1CC[C@H]2OCCC[C@@H]2C1)Nc1nncs1 ZINC000178064704 351218026 /nfs/dbraw/zinc/21/80/26/351218026.db2.gz KXEICTMDWCGMCY-NXEZZACHSA-N 1 0 282.369 0.978 10 0 CCAERO CCc1nn(C)cc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000180145508 351280646 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O=C(C[C@@H]1COC(=O)C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246873680 352387056 /nfs/dbraw/zinc/38/70/56/352387056.db2.gz CSVJFSMTRKNAMJ-QWRGUYRKSA-N 1 0 252.314 0.246 10 0 CCAERO CCOCCS(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000246936807 352389855 /nfs/dbraw/zinc/38/98/55/352389855.db2.gz JSMRWIGBKUHXQQ-STQMWFEESA-N 1 0 290.429 0.911 10 0 CCAERO O=C(CN1CC[N@@H+]2CCC[C@H]2C1)NC[C@H]1CCCO1 ZINC000247072319 352397474 /nfs/dbraw/zinc/39/74/74/352397474.db2.gz GPASDGYQODTDCD-QWHCGFSZSA-N 1 0 267.373 0.062 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CCc3ncnn3C2)C1 ZINC000247105959 352398542 /nfs/dbraw/zinc/39/85/42/352398542.db2.gz VHIATZFVNPCAFA-NEPJUHHUSA-N 1 0 292.387 0.376 10 0 CCAERO C[C@@H]1C[N@H+](C[C@@H](O)CN2CCCC2=O)CCCO1 ZINC000247471376 352415956 /nfs/dbraw/zinc/41/59/56/352415956.db2.gz HBAFHGSKMOKXOF-VXGBXAGGSA-N 1 0 256.346 0.081 10 0 CCAERO CC[C@H]1CN(Cc2ncc[nH]2)CC[N@@H+]1C[C@H](C)O ZINC000247478587 352417281 /nfs/dbraw/zinc/41/72/81/352417281.db2.gz 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352476579 /nfs/dbraw/zinc/47/65/79/352476579.db2.gz AROOAZNMAAIWBF-YPMHNXCESA-N 1 0 267.373 0.060 10 0 CCAERO O=C(NOC[C@H]1CCOC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249110853 352478179 /nfs/dbraw/zinc/47/81/79/352478179.db2.gz XWVFXNIQYTUGQY-RYUDHWBXSA-N 1 0 269.345 0.444 10 0 CCAERO C[C@H](O)C[NH2+]CC1=CC2=CC=C[C@@H]3CCN(C1=O)[C@@H]23 ZINC000256048762 352547536 /nfs/dbraw/zinc/54/75/36/352547536.db2.gz VZRYQPRITVEAJZ-MISXGVKJSA-N 1 0 260.337 0.610 10 0 CCAERO C[C@H]1CCN(CN2C(=O)c3ccccc3C2=O)C[C@H]1[NH3+] ZINC000251759738 352511470 /nfs/dbraw/zinc/51/14/70/352511470.db2.gz UAUVUDHOXARWBR-GXFFZTMASA-N 1 0 273.336 0.909 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(O)CCSC2)C1 ZINC000252736081 352524211 /nfs/dbraw/zinc/52/42/11/352524211.db2.gz SKFDIVYBHUYGOR-ZYHUDNBSSA-N 1 0 258.387 0.455 10 0 CCAERO Cc1cc2c(N3CCN(C)C[C@H]3C[NH3+])nccn2n1 ZINC000252834675 352525325 /nfs/dbraw/zinc/52/53/25/352525325.db2.gz RVEIKWXYMJZHPI-LLVKDONJSA-N 1 0 260.345 0.117 10 0 CCAERO [NH3+][C@@H]1CCC[C@H]1C(=O)NCC(=O)N1CCCCC1 ZINC000135257188 187812857 /nfs/dbraw/zinc/81/28/57/187812857.db2.gz HZJURLIJGMDQGV-GHMZBOCLSA-N 1 0 253.346 0.243 10 0 CCAERO CC(C)(C)NC(=O)CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000135365328 187823983 /nfs/dbraw/zinc/82/39/83/187823983.db2.gz HSZFAHMSUNVDHV-GHMZBOCLSA-N 1 0 269.389 0.782 10 0 CCAERO CC(C)(CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)c1ccc(F)cc1 ZINC000156197128 188248685 /nfs/dbraw/zinc/24/86/85/188248685.db2.gz TZUQIGVWWVSKDG-STQMWFEESA-N 1 0 280.343 0.942 10 0 CCAERO C[C@H]([NH3+])C(=O)Nc1cc(Br)cn(C)c1=O ZINC000157402558 188315267 /nfs/dbraw/zinc/31/52/67/188315267.db2.gz MOHAGRBIFSDTRJ-YFKPBYRVSA-N 1 0 274.118 0.434 10 0 CCAERO CS[C@H](CO)[C@H](C)[NH2+]C[C@H](O)COCc1ccco1 ZINC000300703036 354067697 /nfs/dbraw/zinc/06/76/97/354067697.db2.gz IOHAVLJZZHLEKL-GMXVVIOVSA-N 1 0 289.397 0.859 10 0 CCAERO COc1ccc(C[NH+]2CCC([C@@H](O)C(N)=O)CC2)cc1 ZINC000299742670 354043847 /nfs/dbraw/zinc/04/38/47/354043847.db2.gz IFDJGDKETGNOEL-CQSZACIVSA-N 1 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252.355 0.796 10 0 CCAERO CCN(CC)S(=O)(=O)CCN[C@H]1CC[N@H+](C)C[C@H]1C ZINC000330364988 354326110 /nfs/dbraw/zinc/32/61/10/354326110.db2.gz BXOSUQVUSPBXCA-OLZOCXBDSA-N 1 0 291.461 0.588 10 0 CCAERO CN1CCO[C@H](CNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000333603039 283024396 /nfs/dbraw/zinc/02/43/96/283024396.db2.gz PSVNUHLMXFUEQS-RFQIPJPRSA-N 1 0 296.415 0.086 10 0 CCAERO O=C(C[NH2+][C@H]1CCC(=O)NC12CCC2)N1CCC1 ZINC000328696842 202019606 /nfs/dbraw/zinc/01/96/06/202019606.db2.gz LBXJKGCBAZKWCA-JTQLQIEISA-N 1 0 251.330 0.850 10 0 CCAERO Cc1nc2ccc(N[C@@H](C)[C@H]3CCC[NH2+]C3)nn2n1 ZINC000333624503 354765451 /nfs/dbraw/zinc/76/54/51/354765451.db2.gz AIBBATSBKYWFFE-ONGXEEELSA-N 1 0 260.345 0.655 10 0 CCAERO C[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000333640926 354768219 /nfs/dbraw/zinc/76/82/19/354768219.db2.gz UJIYUQQNIHFOFJ-WXHSDQCUSA-N 1 0 267.373 0.947 10 0 CCAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCC[C@@H](CO)C1 ZINC000333653465 354770422 /nfs/dbraw/zinc/77/04/22/354770422.db2.gz KGMMIQQXKLPTDV-VXGBXAGGSA-N 1 0 255.362 0.542 10 0 CCAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCOCC(F)(F)C1 ZINC000333740855 354786390 /nfs/dbraw/zinc/78/63/90/354786390.db2.gz XOIBBSYSOALMMX-SNVBAGLBSA-N 1 0 277.315 0.806 10 0 CCAERO O=C(NC[C@H]1CCc2nccn2C1)N[C@@H]1CCCC[NH2+]C1 ZINC000333789747 354794078 /nfs/dbraw/zinc/79/40/78/354794078.db2.gz FZMIJFDNWNQZCR-CHWSQXEVSA-N 1 0 291.399 0.887 10 0 CCAERO C[C@H](NC(=O)N[C@@H]1CCCC[NH2+]C1)C(=O)N1CCCC1 ZINC000333788139 354794168 /nfs/dbraw/zinc/79/41/68/354794168.db2.gz FRUBMCBWGLZWKU-NWDGAFQWSA-N 1 0 282.388 0.439 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC(O)CC2)C1 ZINC000334415919 354860507 /nfs/dbraw/zinc/86/05/07/354860507.db2.gz PXMMSHJDGUSNFG-LLVKDONJSA-N 1 0 255.362 0.637 10 0 CCAERO Cc1c(Cl)cccc1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000335162210 354976972 /nfs/dbraw/zinc/97/69/72/354976972.db2.gz QLTFODGLMGASJH-CABZTGNLSA-N 1 0 268.744 0.959 10 0 CCAERO CS(=O)(=O)N1CC[C@@H](CN2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000338307284 355316367 /nfs/dbraw/zinc/31/63/67/355316367.db2.gz PUMCITNXRSWSLE-STQMWFEESA-N 1 0 287.429 0.048 10 0 CCAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)NCC2(O)CCC2)C1 ZINC000341610485 355703427 /nfs/dbraw/zinc/70/34/27/355703427.db2.gz KBCVZDWGTRGCKP-GHMZBOCLSA-N 1 0 255.362 0.683 10 0 CCAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)N2CC[C@@H](CO)C2)C1 ZINC000341621125 355705367 /nfs/dbraw/zinc/70/53/67/355705367.db2.gz TZDBMXJSSDLECW-IJLUTSLNSA-N 1 0 255.362 0.493 10 0 CCAERO O=C(c1n[nH]c2c1CCCC2)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000368126870 137942240 /nfs/dbraw/zinc/94/22/40/137942240.db2.gz UWCDXZYZQPTZFH-QWRGUYRKSA-N 1 0 274.368 0.970 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1CCc2n[nH]nc2C1 ZINC000328941937 202123350 /nfs/dbraw/zinc/12/33/50/202123350.db2.gz FLIRDSFJXRQNRM-RYUDHWBXSA-N 1 0 291.399 0.852 10 0 CCAERO O[C@@]1(Cn2ccnn2)CCC[N@H+](CCn2ccnc2)C1 ZINC000328923037 202116649 /nfs/dbraw/zinc/11/66/49/202116649.db2.gz CTNOJIHRSWMYTQ-ZDUSSCGKSA-N 1 0 276.344 0.002 10 0 CCAERO C[C@@H]1CN(C(=O)[C@H]2CCc3n[nH]nc3C2)C[C@@H]1[NH+](C)C ZINC000328965774 202131868 /nfs/dbraw/zinc/13/18/68/202131868.db2.gz MNMOXSJZUOBQJD-NRUUGDAUSA-N 1 0 277.372 0.318 10 0 CCAERO [NH3+][C@@H](CC1CCCCC1)C(=O)N1CCS(=O)CC1 ZINC000336323078 213167321 /nfs/dbraw/zinc/16/73/21/213167321.db2.gz GYQKDFLFVKYBEZ-LBPRGKRZSA-N 1 0 272.414 0.875 10 0 CCAERO O=C(CN1CCCCC1=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000336319481 213163979 /nfs/dbraw/zinc/16/39/79/213163979.db2.gz YSCZPYWTCVUMDV-NEPJUHHUSA-N 1 0 265.357 0.209 10 0 CCAERO CC[NH+](CC)CCN1CCC[C@H]2C(=O)N(C)C[C@H]21 ZINC000375529163 357408859 /nfs/dbraw/zinc/40/88/59/357408859.db2.gz ABVVFYOCKVIQRJ-CHWSQXEVSA-N 1 0 253.390 0.881 10 0 CCAERO C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000372976758 357381231 /nfs/dbraw/zinc/38/12/31/357381231.db2.gz OSEQZDGNPWOBTL-UWVGGRQHSA-N 1 0 269.345 0.461 10 0 CCAERO NC(=O)c1ccc(C[NH2+][C@H]2CCCN(CCO)C2)cc1 ZINC000384337810 357720959 /nfs/dbraw/zinc/72/09/59/357720959.db2.gz BSLCXXGGRYBTPH-AWEZNQCLSA-N 1 0 277.368 0.332 10 0 CCAERO CC1(C)C[C@@H]([NH2+][C@H]2CCCN(CCO)C2)CCO1 ZINC000384641437 357721594 /nfs/dbraw/zinc/72/15/94/357721594.db2.gz XIGQCWRXMYOSHN-STQMWFEESA-N 1 0 256.390 0.990 10 0 CCAERO Cc1cccc(CC[N@@H+]2CCC[C@](O)(C(N)=O)C2)n1 ZINC000399738163 357785539 /nfs/dbraw/zinc/78/55/39/357785539.db2.gz VWUJZLPCOOVWFB-CQSZACIVSA-N 1 0 263.341 0.245 10 0 CCAERO C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCO[C@H](CO)C1 ZINC000407998359 357860130 /nfs/dbraw/zinc/86/01/30/357860130.db2.gz PMSOFGZQNJDBIU-OLZOCXBDSA-N 1 0 270.373 0.471 10 0 CCAERO CCO[C@@H]1CN(c2ccc(C(=O)OC)nn2)C[C@H]1C[NH3+] ZINC000405846143 357827541 /nfs/dbraw/zinc/82/75/41/357827541.db2.gz HOLZCXYKNMLSJR-MWLCHTKSSA-N 1 0 280.328 0.063 10 0 CCAERO CC(C)[C@@H]1CN(C(=O)c2cnnn2C)CC[N@@H+]1C ZINC000407959603 357839729 /nfs/dbraw/zinc/83/97/29/357839729.db2.gz WOQPTYBKXVMLAB-NSHDSACASA-N 1 0 251.334 0.227 10 0 CCAERO O=C(Nc1cccc2c[nH]nc21)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000408028947 357874534 /nfs/dbraw/zinc/87/45/34/357874534.db2.gz RLLGCUAOROBZGZ-CYBMUJFWSA-N 1 0 285.351 0.891 10 0 CCAERO COc1nc(C)cc(N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC000408032027 357876553 /nfs/dbraw/zinc/87/65/53/357876553.db2.gz YYSDBFQFQOCLKY-NEPJUHHUSA-N 1 0 278.356 0.703 10 0 CCAERO NC(=O)[C@]1(O)CCCN(Cc2ncc(Cl)s2)C1 ZINC000408035274 357878048 /nfs/dbraw/zinc/87/80/48/357878048.db2.gz KXUGTTYWRMOBTF-JTQLQIEISA-N 1 0 275.761 0.609 10 0 CCAERO CO[C@H]1C[C@@H](C(=O)N2CCC[C@H](CNC(C)=O)C2)[N@H+](C)C1 ZINC000408037098 357880118 /nfs/dbraw/zinc/88/01/18/357880118.db2.gz YKSYCLKCIZRXLW-RDBSUJKOSA-N 1 0 297.399 0.080 10 0 CCAERO CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2CO)N(C)C1 ZINC000408046782 357886283 /nfs/dbraw/zinc/88/62/83/357886283.db2.gz XYUOURKALXVZQT-XQHKEYJVSA-N 1 0 270.373 0.373 10 0 CCAERO CCc1nnc([C@@H]2CN(CC(C)(C)O)CCO2)o1 ZINC000408060997 357895813 /nfs/dbraw/zinc/89/58/13/357895813.db2.gz KJVPDLIWKDTBLJ-VIFPVBQESA-N 1 0 255.318 0.776 10 0 CCAERO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCO1 ZINC000408072662 357903069 /nfs/dbraw/zinc/90/30/69/357903069.db2.gz SNDBQWCHTHDZHE-QJPTWQEYSA-N 1 0 276.402 0.615 10 0 CCAERO CC(=O)N1CCC(CNC(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000408086121 357912271 /nfs/dbraw/zinc/91/22/71/357912271.db2.gz GJPQSCJPYJOEHF-AWEZNQCLSA-N 1 0 296.415 0.590 10 0 CCAERO C[C@@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)c1ccon1 ZINC000408093540 357916631 /nfs/dbraw/zinc/91/66/31/357916631.db2.gz CEXHSBZTQAHFOM-ZYHUDNBSSA-N 1 0 264.329 0.242 10 0 CCAERO C[C@@H](CN1CCOCC1)[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000408099774 357919698 /nfs/dbraw/zinc/91/96/98/357919698.db2.gz PFSPAUPABVXFAQ-STQMWFEESA-N 1 0 279.388 0.705 10 0 CCAERO COC(=O)c1cnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)nc1 ZINC000408102653 357920593 /nfs/dbraw/zinc/92/05/93/357920593.db2.gz HKCVTDTYKDWCRI-ZYHUDNBSSA-N 1 0 276.340 0.936 10 0 CCAERO CN(C)C(=O)CCCNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000408147427 357940046 /nfs/dbraw/zinc/94/00/46/357940046.db2.gz FKKKGIWNUUSOKH-CHWSQXEVSA-N 1 0 296.415 0.590 10 0 CCAERO CC[C@@H]1C[C@@H](C(=O)NC[C@H]2CC[N@H+](C)C2)CC(=O)N1 ZINC000408200982 357966795 /nfs/dbraw/zinc/96/67/95/357966795.db2.gz CNBVMLGRHBHNTN-IJLUTSLNSA-N 1 0 267.373 0.359 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[C@H]2O)C1 ZINC000408251996 357993092 /nfs/dbraw/zinc/99/30/92/357993092.db2.gz KPDQGQJJZSAIFC-RWMBFGLXSA-N 1 0 269.389 0.931 10 0 CCAERO CCOc1nccnc1N1CCCO[C@@H](C[NH3+])C1 ZINC000561267324 291124950 /nfs/dbraw/zinc/12/49/50/291124950.db2.gz NEQKTVRJQPDFBR-JTQLQIEISA-N 1 0 252.318 0.429 10 0 CCAERO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000408289372 358012280 /nfs/dbraw/zinc/01/22/80/358012280.db2.gz CQSRCZGXJOAKTL-RAIGVLPGSA-N 1 0 279.384 0.583 10 0 CCAERO CC(=O)N1CC[C@H](C(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000408301518 358021224 /nfs/dbraw/zinc/02/12/24/358021224.db2.gz SQAOFLRRJPRZGB-LBPRGKRZSA-N 1 0 267.373 0.455 10 0 CCAERO CCn1cnc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000408301226 358021666 /nfs/dbraw/zinc/02/16/66/358021666.db2.gz QFPVKIDPBLLCHG-RYUDHWBXSA-N 1 0 298.412 0.760 10 0 CCAERO CNC(=O)N[C@@H]1CC[N@H+](C[C@H](O)C2CCCCC2)C1 ZINC000408310784 358027445 /nfs/dbraw/zinc/02/74/45/358027445.db2.gz VBZRBUHGWBKJTN-OLZOCXBDSA-N 1 0 269.389 0.931 10 0 CCAERO C[C@]1(O)CCCN(Cc2ncnn2CC(F)F)C1 ZINC000408360811 358051827 /nfs/dbraw/zinc/05/18/27/358051827.db2.gz ZIXTYDRRRISEKL-NSHDSACASA-N 1 0 260.288 0.890 10 0 CCAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ncc[nH]c3=O)C2)CCO1 ZINC000408395758 358071090 /nfs/dbraw/zinc/07/10/90/358071090.db2.gz NNBWNFSBYSKVBC-FRRDWIJNSA-N 1 0 292.383 0.896 10 0 CCAERO CNC(=O)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000185999867 283322019 /nfs/dbraw/zinc/32/20/19/283322019.db2.gz GRFTXBXOBXWNSE-SRVKXCTJSA-N 1 0 297.399 0.968 10 0 CCAERO C[C@H](O)CN1CCN(c2nnc(C3CC3)o2)C[C@@H]1C ZINC000408412330 358079712 /nfs/dbraw/zinc/07/97/12/358079712.db2.gz QAABUMPDICXNHJ-UWVGGRQHSA-N 1 0 266.345 0.838 10 0 CCAERO O=C1c2sccc2S(=O)(=O)N1[C@H]1CC[NH2+]C1 ZINC000409422884 358111275 /nfs/dbraw/zinc/11/12/75/358111275.db2.gz LQPJFDZFRFCASX-LURJTMIESA-N 1 0 258.324 0.255 10 0 CCAERO NC(=O)c1cc(N2CCC[N@@H+](C3CC3)CC2)ccn1 ZINC000183949271 283365150 /nfs/dbraw/zinc/36/51/50/283365150.db2.gz ZCLFYJZIURFSFM-UHFFFAOYSA-N 1 0 260.341 0.855 10 0 CCAERO C[C@]1(C(=O)N2CCNC[C@@](C)(F)C2)CCCC[NH2+]1 ZINC000336221645 213048451 /nfs/dbraw/zinc/04/84/51/213048451.db2.gz AMEGOKFOQBJJQB-CHWSQXEVSA-N 1 0 257.353 0.679 10 0 CCAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000333794285 291190103 /nfs/dbraw/zinc/19/01/03/291190103.db2.gz GREWBDLSLXHISZ-MFKMUULPSA-N 1 0 290.367 0.995 10 0 CCAERO C[C@H]1CN(C(=O)CCCNC(=O)C(C)(C)C)C[C@@H]1[NH3+] ZINC000563116903 291195556 /nfs/dbraw/zinc/19/55/56/291195556.db2.gz PIAGNHNPSGQLMA-QWRGUYRKSA-N 1 0 269.389 0.735 10 0 CCAERO COC(=O)[C@@H]1CCC[N@H+](CC[C@@H]2CCS(=O)(=O)C2)C1 ZINC000611170639 363669293 /nfs/dbraw/zinc/66/92/93/363669293.db2.gz QOXPHYVZISRDPX-VXGBXAGGSA-N 1 0 289.397 0.696 10 0 CCAERO COC(=O)[C@@H]1CCCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000593912196 360208270 /nfs/dbraw/zinc/20/82/70/360208270.db2.gz YQUBCAQIECBPAF-SNVBAGLBSA-N 1 0 254.330 0.670 10 0 CCAERO CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000262586289 283558125 /nfs/dbraw/zinc/55/81/25/283558125.db2.gz OTQNXAPGJKKVGX-OPRDCNLKSA-N 1 0 256.350 0.067 10 0 CCAERO COCCCNC(=O)C[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178320617 189106333 /nfs/dbraw/zinc/10/63/33/189106333.db2.gz OUSAPWYGUDTVCH-CQSZACIVSA-N 1 0 294.399 0.809 10 0 CCAERO O=C([C@@H]1CCC[NH2+]C1)N1C[C@H]2CCC[C@@H](C1)C2O ZINC000178141008 296020123 /nfs/dbraw/zinc/02/01/23/296020123.db2.gz RYPKCTIMOXHORS-FKJOKYEKSA-N 1 0 252.358 0.605 10 0 CCAERO COC(=O)c1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000179171908 189174049 /nfs/dbraw/zinc/17/40/49/189174049.db2.gz UKJYJTZXGITQGD-OLZOCXBDSA-N 1 0 265.309 0.401 10 0 CCAERO Cn1cc([C@H]2CCC[N@@H+]2CCCOC(=O)NC(N)=O)cn1 ZINC000180471863 189257178 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282.388 0.437 10 0 CCAERO COCCN1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000333486593 205366310 /nfs/dbraw/zinc/36/63/10/205366310.db2.gz CTMPKAGRNCOTTP-ZDUSSCGKSA-N 1 0 284.404 0.102 10 0 CCAERO CC(C)C[C@@H]1C[C@H]1NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333549508 205431310 /nfs/dbraw/zinc/43/13/10/205431310.db2.gz KDBGQNICUWCHFE-WYUUTHIRSA-N 1 0 255.362 0.395 10 0 CCAERO [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCC[C@H]2Cn2ccnn2)C1 ZINC000333679429 205588246 /nfs/dbraw/zinc/58/82/46/205588246.db2.gz OOEHVSCBKZZFSJ-AGIUHOORSA-N 1 0 292.387 0.722 10 0 CCAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CCC[C@@H](n2cncn2)C1 ZINC000333721832 205635717 /nfs/dbraw/zinc/63/57/17/205635717.db2.gz UTYUVDHUKKPDBW-QWHCGFSZSA-N 1 0 292.387 0.767 10 0 CCAERO O=C(NC1CN(C(=O)N[C@H]2CCCC[NH2+]C2)C1)C1CC1 ZINC000333894409 205810079 /nfs/dbraw/zinc/81/00/79/205810079.db2.gz YTQFGZUSMHXNCA-NSHDSACASA-N 1 0 280.372 0.049 10 0 CCAERO COC[C@]1(C(=O)NCC[C@H]2CCCO2)CCCC[NH2+]1 ZINC000637901209 374460938 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CCC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000638681040 375287260 /nfs/dbraw/zinc/28/72/60/375287260.db2.gz INIUGCQAJSBVAA-VWYCJHECSA-N 1 0 274.386 0.292 10 0 CCAERO O=C(NC[C@@H]1CCCC12CC2)[C@H]1C[NH2+]CCOC1 ZINC000638794928 375363578 /nfs/dbraw/zinc/36/35/78/375363578.db2.gz IHWAWODEHHXBTH-RYUDHWBXSA-N 1 0 252.358 0.919 10 0 CCAERO CCOC(=O)N(CC[NH3+])C1CCN(C(C)=O)CC1 ZINC000253575790 189995201 /nfs/dbraw/zinc/99/52/01/189995201.db2.gz VARYDGNQKXYHMF-UHFFFAOYSA-N 1 0 257.334 0.415 10 0 CCAERO O=C(C[C@H]1CCC[NH2+]C1)N[C@@H]1CCN(C2CCC2)C1=O ZINC000638798207 375372450 /nfs/dbraw/zinc/37/24/50/375372450.db2.gz CFDUAPSUYSBDJK-DGCLKSJQSA-N 1 0 279.384 0.646 10 0 CCAERO C[C@@H]1CN(C(=O)CNC(=O)c2cccs2)C[C@H]1C[NH3+] ZINC000638883795 375423938 /nfs/dbraw/zinc/42/39/38/375423938.db2.gz BDFZYOXXYMHYTO-NXEZZACHSA-N 1 0 281.381 0.531 10 0 CCAERO C[C@H]1CN(C(=O)c2ccc(S(C)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000638884615 375425309 /nfs/dbraw/zinc/42/53/09/375425309.db2.gz CZGOBTUEGANJBQ-CMPLNLGQSA-N 1 0 296.392 0.757 10 0 CCAERO C[C@@H]1CN(C(=O)CCNC(=O)c2ccsc2)C[C@H]1C[NH3+] ZINC000638885179 375425831 /nfs/dbraw/zinc/42/58/31/375425831.db2.gz HKYRTTNFFMVELW-ZYHUDNBSSA-N 1 0 295.408 0.921 10 0 CCAERO C[C@@H]1CN(C(=O)c2n[nH]c3c2CCCC3)C[C@H]1C[NH3+] ZINC000638887052 375426698 /nfs/dbraw/zinc/42/66/98/375426698.db2.gz CGCVSLAFDGKZGZ-NXEZZACHSA-N 1 0 262.357 0.955 10 0 CCAERO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C3CC3)C2)C[C@H]1C[NH3+] ZINC000638887847 375426882 /nfs/dbraw/zinc/42/68/82/375426882.db2.gz QACBTWFXQJNXGK-OUAUKWLOSA-N 1 0 265.357 0.051 10 0 CCAERO Cc1noc(C)c1CC(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638888705 375427798 /nfs/dbraw/zinc/42/77/98/375427798.db2.gz SIAKEEYIHDMWPL-GZMMTYOYSA-N 1 0 251.330 0.887 10 0 CCAERO C[C@H]1CN(C(=O)c2sccc2-n2cnnn2)C[C@H]1C[NH3+] ZINC000638890201 375428896 /nfs/dbraw/zinc/42/88/96/375428896.db2.gz LZUSSRJXNGIBQT-DTWKUNHWSA-N 1 0 292.368 0.391 10 0 CCAERO Cc1nc(C)c(C(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](O)C2)[nH]1 ZINC000640866195 376581519 /nfs/dbraw/zinc/58/15/19/376581519.db2.gz KDFILYLCKXZCLC-UPJWGTAASA-N 1 0 292.383 0.744 10 0 CCAERO CCc1nnc(Cn2cc([C@@H]([NH3+])C(C)C)nn2)n1C ZINC000641061215 376730686 /nfs/dbraw/zinc/73/06/86/376730686.db2.gz DNRGPUBPPZQLEU-LBPRGKRZSA-N 1 0 263.349 0.673 10 0 CCAERO C[NH+](C)CCN(C(=O)[C@@H]1CNC(=O)C1)C1CCCC1 ZINC000110433253 284642965 /nfs/dbraw/zinc/64/29/65/284642965.db2.gz QPSKACSHOAJXNY-NSHDSACASA-N 1 0 267.373 0.455 10 0 CCAERO CC(C)Oc1cncc(NC[C@@H]2C[NH2+]C[C@H]2O)n1 ZINC000643040196 377702596 /nfs/dbraw/zinc/70/25/96/377702596.db2.gz KMFPIPWCRLCTGA-VHSXEESVSA-N 1 0 252.318 0.256 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cccnn1 ZINC000278553363 194040026 /nfs/dbraw/zinc/04/00/26/194040026.db2.gz ZODBVIHYUVUIKT-YPMHNXCESA-N 1 0 275.356 0.855 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccnn1 ZINC000278553359 194040628 /nfs/dbraw/zinc/04/06/28/194040628.db2.gz ZODBVIHYUVUIKT-WCQYABFASA-N 1 0 275.356 0.855 10 0 CCAERO O=C(CN1CCCCC1=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334943580 207333422 /nfs/dbraw/zinc/33/34/22/207333422.db2.gz TWGAZNVIWQYIMD-HNNXBMFYSA-N 1 0 279.384 0.601 10 0 CCAERO CCN1C[C@H](NC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)CC1=O ZINC000334948351 207338766 /nfs/dbraw/zinc/33/87/66/207338766.db2.gz CLNYYOYDTRBQTC-MNOVXSKESA-N 1 0 282.388 0.376 10 0 CCAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC(=O)N1CCNC(=O)C1 ZINC000245974960 284998108 /nfs/dbraw/zinc/99/81/08/284998108.db2.gz ONDHZDNZPXHGBB-RDBSUJKOSA-N 1 0 295.427 0.995 10 0 CCAERO CSC[C@H]1CCC[N@@H+]1C[C@@H](O)CN1CCCC1=O ZINC000246220881 285010714 /nfs/dbraw/zinc/01/07/14/285010714.db2.gz DACQMUDGJKNCQI-VXGBXAGGSA-N 1 0 272.414 0.797 10 0 CCAERO CNC(=O)[C@H](NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C)C(C)C ZINC000246265177 285012751 /nfs/dbraw/zinc/01/27/51/285012751.db2.gz YCLJGWAMPDQRNF-JHJVBQTASA-N 1 0 298.431 0.785 10 0 CCAERO COC(=O)[C@H]1CCCN(C(=O)[C@@]2(C)CCC[NH2+]2)C1 ZINC000571771443 291835948 /nfs/dbraw/zinc/83/59/48/291835948.db2.gz GQYWZBQAHLRRPX-GXFFZTMASA-N 1 0 254.330 0.540 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H]([C@@H](C)O)C2)C1 ZINC000248461511 285066385 /nfs/dbraw/zinc/06/63/85/285066385.db2.gz VAWYTHPSSDMWOE-UPJWGTAASA-N 1 0 269.389 0.883 10 0 CCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)NC(C)(C)C)C[C@H]1C ZINC000248594929 285070438 /nfs/dbraw/zinc/07/04/38/285070438.db2.gz HXLDNDYNJNBZKW-MNOVXSKESA-N 1 0 257.378 0.881 10 0 CCAERO CCCCOC[C@H](O)C[N@@H+]1CCC[C@H]1C(=O)NC ZINC000248637467 285072120 /nfs/dbraw/zinc/07/21/20/285072120.db2.gz AHDFIVSFQHRKOV-NEPJUHHUSA-N 1 0 258.362 0.374 10 0 CCAERO C[C@H](O)C1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000335290413 208113760 /nfs/dbraw/zinc/11/37/60/208113760.db2.gz XTQVNYGFCZIODH-ONGXEEELSA-N 1 0 291.342 0.786 10 0 CCAERO O=S1(=O)Nc2ccccc2CN1C[C@H]1CCC[NH2+]1 ZINC000095077878 285074616 /nfs/dbraw/zinc/07/46/16/285074616.db2.gz AKJNSFDDIIHYAG-LLVKDONJSA-N 1 0 267.354 0.911 10 0 CCAERO Cc1cccc2c1N(C(=O)C(=O)N1C[C@H]([NH3+])[C@@H](C)C1)CC2 ZINC000335379358 208319687 /nfs/dbraw/zinc/31/96/87/208319687.db2.gz SDABDGDXZPVORW-AAEUAGOBSA-N 1 0 287.363 0.690 10 0 CCAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NCC(=O)N(C)C ZINC000335403234 208377972 /nfs/dbraw/zinc/37/79/72/208377972.db2.gz FCLKDSFANJWHHE-VXGBXAGGSA-N 1 0 282.388 0.343 10 0 CCAERO CC[C@@H]1CN(C[C@@H](O)CSC)CC[N@@H+]1C[C@@H](C)O ZINC000249278636 285107913 /nfs/dbraw/zinc/10/79/13/285107913.db2.gz NZDKKHFGVYGZBU-JHJVBQTASA-N 1 0 276.446 0.487 10 0 CCAERO COCCOC[C@H](O)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000300287515 285106003 /nfs/dbraw/zinc/10/60/03/285106003.db2.gz YKDLMCFEXKGVLQ-ZNMIVQPWSA-N 1 0 287.400 0.637 10 0 CCAERO CCCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000392935521 285206824 /nfs/dbraw/zinc/20/68/24/285206824.db2.gz MGGDVDZWPSMZGY-SDDRHHMPSA-N 1 0 269.389 0.938 10 0 CCAERO O=c1cc(C(F)(F)F)nc(NC2CC[NH2+]CC2)[nH]1 ZINC000057342868 285216612 /nfs/dbraw/zinc/21/66/12/285216612.db2.gz CLQHPEONBQDQHM-UHFFFAOYSA-N 1 0 262.235 0.953 10 0 CCAERO CC(C)CNC(=O)NC(=O)CN1CC[N@H+](C)C[C@@H]1C ZINC000408111481 285239062 /nfs/dbraw/zinc/23/90/62/285239062.db2.gz FDHOPBAJFQAHKF-NSHDSACASA-N 1 0 270.377 0.104 10 0 CCAERO Cc1nc(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)c[nH]1 ZINC000285806504 388800102 /nfs/dbraw/zinc/80/01/02/388800102.db2.gz OFAIEZYELSEVCN-VXGBXAGGSA-N 1 0 264.329 0.263 10 0 CCAERO Cc1cnn(CCNC(=O)N(C)CC[N@H+](C)C2CC2)c1 ZINC000185407940 388802566 /nfs/dbraw/zinc/80/25/66/388802566.db2.gz SJUSVMIJNHVVJY-UHFFFAOYSA-N 1 0 279.388 0.927 10 0 CCAERO COC[C@H](C)C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000184297988 388771543 /nfs/dbraw/zinc/77/15/43/388771543.db2.gz AMYYVZHHBVHDDO-QWHCGFSZSA-N 1 0 271.405 0.411 10 0 CCAERO Cc1cc(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)cc(=O)[nH]1 ZINC000285907168 388812860 /nfs/dbraw/zinc/81/28/60/388812860.db2.gz TVAGXBJVCQOLBA-STQMWFEESA-N 1 0 291.351 0.641 10 0 CCAERO C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC2CCOCC2)C[C@@H]1C ZINC000185822368 388816044 /nfs/dbraw/zinc/81/60/44/388816044.db2.gz FDKUXKGLLDTONG-QWHCGFSZSA-N 1 0 299.415 0.510 10 0 CCAERO CCCC[C@@H](NC(N)=O)C(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186524833 388840186 /nfs/dbraw/zinc/84/01/86/388840186.db2.gz WRPJWSPSAITVLS-WCQYABFASA-N 1 0 296.415 0.957 10 0 CCAERO C[NH+](C)C[C@@H](NC(=O)[C@H]1CCC(=O)NC1)c1ccccc1 ZINC000047859090 388883753 /nfs/dbraw/zinc/88/37/53/388883753.db2.gz FKSKXIPCMNKTPS-UONOGXRCSA-N 1 0 289.379 0.932 10 0 CCAERO CO[C@H]1C[C@H](c2nc(C)no2)N(CCCNC(C)=O)C1 ZINC000189333219 388955125 /nfs/dbraw/zinc/95/51/25/388955125.db2.gz RFLMFTQOKGCTMN-NWDGAFQWSA-N 1 0 282.344 0.666 10 0 CCAERO C[N@H+](C[C@@H](O)COC(C)(C)C)CC1(O)CCOCC1 ZINC000189754459 388972054 /nfs/dbraw/zinc/97/20/54/388972054.db2.gz WAEZBQFYSUTWBA-GFCCVEGCSA-N 1 0 275.389 0.636 10 0 CCAERO CN1CCO[C@@H](CNC(=O)c2n[nH]c3c2CCCCC3)C1 ZINC000191029353 389003893 /nfs/dbraw/zinc/00/38/93/389003893.db2.gz XTYNYDZUGVLHJR-NSHDSACASA-N 1 0 292.383 0.739 10 0 CCAERO CC[C@@H](O)C[NH+]1CCN(Cc2cccnc2OC)CC1 ZINC000193362474 389067435 /nfs/dbraw/zinc/06/74/35/389067435.db2.gz KJTCZGKYJAXZON-CQSZACIVSA-N 1 0 279.384 0.979 10 0 CCAERO CCCCOC[C@H](O)C[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000193588579 389073895 /nfs/dbraw/zinc/07/38/95/389073895.db2.gz PGCCJENQZLNFEZ-UTUOFQBUSA-N 1 0 258.362 0.278 10 0 CCAERO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCNC(=O)CC1 ZINC000105234063 389085783 /nfs/dbraw/zinc/08/57/83/389085783.db2.gz ZLWHKDJXXSVOSP-LLVKDONJSA-N 1 0 270.377 0.248 10 0 CCAERO C[NH+](C)C[C@@H]1CN(C(=O)c2cncc(Cl)n2)CCO1 ZINC000192352613 389034489 /nfs/dbraw/zinc/03/44/89/389034489.db2.gz PIUUSHOFIUAOPX-SECBINFHSA-N 1 0 284.747 0.533 10 0 CCAERO CCNC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000093886153 389037901 /nfs/dbraw/zinc/03/79/01/389037901.db2.gz XPXDODKWMZNIOV-ZDUSSCGKSA-N 1 0 268.405 0.818 10 0 CCAERO COC(=O)NCCC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000107570034 389097350 /nfs/dbraw/zinc/09/73/50/389097350.db2.gz VOQWHQSOGSFBSH-LLVKDONJSA-N 1 0 273.377 0.825 10 0 CCAERO C[C@H](NS(=O)(=O)C[C@@H]1C[NH2+]CCO1)C1CCCC1 ZINC000310932726 389100099 /nfs/dbraw/zinc/10/00/99/389100099.db2.gz JBLZTMABUOGAAY-JQWIXIFHSA-N 1 0 276.402 0.473 10 0 CCAERO Cc1nnc(NC(=O)NCC2CC[NH+](CCO)CC2)s1 ZINC000111417345 389107695 /nfs/dbraw/zinc/10/76/95/389107695.db2.gz BJZPIZHBSIHEJR-UHFFFAOYSA-N 1 0 299.400 0.672 10 0 CCAERO CC(C)(C)C[C@H](O)CNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000226362986 389147977 /nfs/dbraw/zinc/14/79/77/389147977.db2.gz WXQMOIDEKJDYNF-LBPRGKRZSA-N 1 0 285.432 0.584 10 0 CCAERO CCOC(=O)C1CC[NH+](C[C@@H](O)CN2CCCC2=O)CC1 ZINC000111682852 389112077 /nfs/dbraw/zinc/11/20/77/389112077.db2.gz YNWBMJSQNRDVPP-CYBMUJFWSA-N 1 0 298.383 0.245 10 0 CCAERO Cc1cnn(C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CCO2)c1 ZINC000112117666 389119042 /nfs/dbraw/zinc/11/90/42/389119042.db2.gz PQHIJZLFAHLPTC-KGLIPLIRSA-N 1 0 292.383 0.513 10 0 CCAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000195220004 389120572 /nfs/dbraw/zinc/12/05/72/389120572.db2.gz HDWDCNBDPKNPSV-YNEHKIRRSA-N 1 0 272.389 0.750 10 0 CCAERO CCOCC[N@@H+]1CCN(C(=O)[C@@H](C)NC(C)=O)C[C@@H]1CC ZINC000116767521 389133795 /nfs/dbraw/zinc/13/37/95/389133795.db2.gz WJHBCEYEJLOUJI-OCCSQVGLSA-N 1 0 299.415 0.470 10 0 CCAERO CCOCC[N@@H+]1CCN(C(=O)CCOC)C[C@H]1CC ZINC000116766912 389134014 /nfs/dbraw/zinc/13/40/14/389134014.db2.gz PDGLKIQHHOELRI-CYBMUJFWSA-N 1 0 272.389 0.982 10 0 CCAERO CC(=O)c1cc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)n(C)c1 ZINC000116784021 389134763 /nfs/dbraw/zinc/13/47/63/389134763.db2.gz AUAHTLNURSDDGS-CYBMUJFWSA-N 1 0 293.367 0.630 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NC[C@@H]1CCCO1 ZINC000136076237 389264085 /nfs/dbraw/zinc/26/40/85/389264085.db2.gz KGMUJNVFLHHECA-KFWWJZLASA-N 1 0 295.427 0.840 10 0 CCAERO CCC[C@H](C(=O)NCC1(CS(C)(=O)=O)CC1)N(C)C ZINC000131509525 389214351 /nfs/dbraw/zinc/21/43/51/389214351.db2.gz ZVHAAPAOGSJELM-LLVKDONJSA-N 1 0 290.429 0.658 10 0 CCAERO CC(C)N1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)C1=O ZINC000246499464 389228943 /nfs/dbraw/zinc/22/89/43/389228943.db2.gz PVFXAXXZNBMZNN-QLFBSQMISA-N 1 0 295.427 0.648 10 0 CCAERO CC(C)N1CC[C@H]([N@@H+]2C[C@@H](C)[C@@H](N3CCOCC3)C2)C1=O ZINC000246499450 389229072 /nfs/dbraw/zinc/22/90/72/389229072.db2.gz PVFXAXXZNBMZNN-ILXRZTDVSA-N 1 0 295.427 0.648 10 0 CCAERO CCOC(=O)N1CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000133300722 389233645 /nfs/dbraw/zinc/23/36/45/389233645.db2.gz KDZPUUBDGFYHRP-CQSZACIVSA-N 1 0 283.372 0.819 10 0 CCAERO CC[C@@H]1CN(CC(=O)N2CCCC2)CC[N@@H+]1C[C@H](C)O ZINC000247031997 389235050 /nfs/dbraw/zinc/23/50/50/389235050.db2.gz DGIVPJCYCDNTHG-UONOGXRCSA-N 1 0 283.416 0.386 10 0 CCAERO CNC(=O)[C@@H]1CCCN1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000155847580 389321323 /nfs/dbraw/zinc/32/13/23/389321323.db2.gz HSGYXVPQCNASCT-ZDUSSCGKSA-N 1 0 296.415 0.638 10 0 CCAERO COc1c(C[NH2+]CC2(CCO)CC2)c(C)nn1C ZINC000157331986 389330849 /nfs/dbraw/zinc/33/08/49/389330849.db2.gz XCYHNXFAYWTNBC-UHFFFAOYSA-N 1 0 253.346 0.989 10 0 CCAERO Cc1nnc([C@H](NC(=O)[C@H](C)[NH3+])c2ccccc2)[nH]1 ZINC000158129801 389336633 /nfs/dbraw/zinc/33/66/33/389336633.db2.gz ISLUMZIARRLTAN-GZMMTYOYSA-N 1 0 259.313 0.666 10 0 CCAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)Nc1cccnn1 ZINC000151908038 389280692 /nfs/dbraw/zinc/28/06/92/389280692.db2.gz SJFMZOOAOBREQJ-NSHDSACASA-N 1 0 279.344 0.445 10 0 CCAERO Cc1cccc2c(CCNC(=O)[C@@H]3C[C@H](O)C[NH2+]3)c[nH]c21 ZINC000262553170 389288971 /nfs/dbraw/zinc/28/89/71/389288971.db2.gz UEBQWKUEAJOWFK-JSGCOSHPSA-N 1 0 287.363 0.858 10 0 CCAERO NC(=O)CC[C@H]1CCC[N@@H+]([C@@H]2CCCCNC2=O)C1 ZINC000153467830 389301805 /nfs/dbraw/zinc/30/18/05/389301805.db2.gz QICDZMUFKDKYAR-VXGBXAGGSA-N 1 0 267.373 0.633 10 0 CCAERO CCC[C@H](C(=O)NCc1nnc2n1CCCC2)[NH+](C)C ZINC000161814521 389409910 /nfs/dbraw/zinc/40/99/10/389409910.db2.gz UTNPLSDQNXSHNS-LLVKDONJSA-N 1 0 279.388 0.961 10 0 CCAERO CC[C@H](C(=O)N1CC[C@H](N2CCOCC2)C1)[NH+](C)C ZINC000162027617 389412862 /nfs/dbraw/zinc/41/28/62/389412862.db2.gz VMGXKQKYUFEMGI-QWHCGFSZSA-N 1 0 269.389 0.260 10 0 CCAERO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H](C)[C@@H]2CO)C[C@@H](C)O1 ZINC000408425114 389348971 /nfs/dbraw/zinc/34/89/71/389348971.db2.gz JBIAZLTYYKDFPP-DGAVXFQQSA-N 1 0 284.400 0.715 10 0 CCAERO CC(C)[N@@H+]1CCCC[C@H]1CN1CCO[C@H](C)[C@H]1C(N)=O ZINC000408457871 389352448 /nfs/dbraw/zinc/35/24/48/389352448.db2.gz QXLYIZXIDYOGAM-RDBSUJKOSA-N 1 0 283.416 0.824 10 0 CCAERO CCc1nnc(CN2CCC[C@H]([NH+](C)C)C2)n1C ZINC000171945003 389482592 /nfs/dbraw/zinc/48/25/92/389482592.db2.gz CFXKLNSHGHTYOQ-NSHDSACASA-N 1 0 251.378 0.904 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000162879697 389424028 /nfs/dbraw/zinc/42/40/28/389424028.db2.gz PJRGMRYPASERMJ-JHJVBQTASA-N 1 0 294.399 0.485 10 0 CCAERO CC(C)O[C@@H]1C[C@@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C1(C)C ZINC000333609928 389436855 /nfs/dbraw/zinc/43/68/55/389436855.db2.gz QLQGFVAGBVGRFF-WUHRBBMRSA-N 1 0 299.415 0.553 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)COCCOC ZINC000177026047 389568794 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CCAERO CN(C(=O)Cc1cccnc1)[C@@H](C[NH3+])C(F)(F)F ZINC000662984116 414933752 /nfs/dbraw/zinc/93/37/52/414933752.db2.gz NRHRVYZGLNWLIZ-VIFPVBQESA-N 1 0 261.247 0.972 10 0 CCAERO CCNC(=O)CN(CC)[C@H](CC[NH3+])C(F)(F)F ZINC000042367968 174698351 /nfs/dbraw/zinc/69/83/51/174698351.db2.gz YAQBXFAQELHSAQ-MRVPVSSYSA-N 1 0 255.284 0.724 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000662920552 414895254 /nfs/dbraw/zinc/89/52/54/414895254.db2.gz YJHZEZYOLKIAAR-RNJOBUHISA-N 1 0 252.358 0.856 10 0 CCAERO CC[C@H]1CO[C@H](C)CN1S(=O)(=O)CCCC[NH3+] ZINC000042525301 174775320 /nfs/dbraw/zinc/77/53/20/174775320.db2.gz MPPHFPGFGUKZIH-MNOVXSKESA-N 1 0 264.391 0.554 10 0 CCAERO C[NH2+]C[C@@H](C)Nc1nc(C)c(S(N)(=O)=O)s1 ZINC000663278729 415033803 /nfs/dbraw/zinc/03/38/03/415033803.db2.gz LFXCMQRKOQYJIP-RXMQYKEDSA-N 1 0 264.376 0.119 10 0 CCAERO C[NH2+]C[C@H](C)Nc1cnn(C)c(=O)c1Br ZINC000663279499 415036578 /nfs/dbraw/zinc/03/65/78/415036578.db2.gz RSKBUQZMJAXPEO-LURJTMIESA-N 1 0 275.150 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PYBCFXIFGARXFT-VIFPVBQESA-N 1 0 254.359 0.813 10 0 CCAERO CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000162756037 288494767 /nfs/dbraw/zinc/49/47/67/288494767.db2.gz KXYKOBUZNXMKMM-VKJCCPRHSA-N 1 0 288.413 0.171 10 0 CCAERO CN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000089451232 288887772 /nfs/dbraw/zinc/88/77/72/288887772.db2.gz SCIAUGNXSSKKEU-GMTAPVOTSA-N 1 0 274.386 0.007 10 0 CCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000423640330 289040530 /nfs/dbraw/zinc/04/05/30/289040530.db2.gz JZILLYRRYDPTHS-ORXSELOVSA-N 1 0 283.397 0.389 10 0 CCAERO C[NH+](C)C[C@@H]1CN(CCO[C@@H]2CCCCO2)CCO1 ZINC000181693738 289202023 /nfs/dbraw/zinc/20/20/23/289202023.db2.gz KLZHTOUANTVPFO-ZIAGYGMSSA-N 1 0 272.389 0.792 10 0 CCAERO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246120890 289245863 /nfs/dbraw/zinc/24/58/63/289245863.db2.gz LHLIFHSBTQTAKF-JHJVBQTASA-N 1 0 269.389 0.116 10 0 CCAERO 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CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cn1nnnc1C(C)C ZINC000176993671 335353125 /nfs/dbraw/zinc/35/31/25/335353125.db2.gz ONLLVHONIKBOAP-LBPRGKRZSA-N 1 0 294.403 0.739 10 0 CCAERO COCCNC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000180747858 335621878 /nfs/dbraw/zinc/62/18/78/335621878.db2.gz WCXWJGOIFNQKJY-LBPRGKRZSA-N 1 0 287.404 0.367 10 0 CCAERO COC(=O)C(C)(C)CNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000384382087 336124142 /nfs/dbraw/zinc/12/41/42/336124142.db2.gz LLQKICLTHNMIOT-UWVGGRQHSA-N 1 0 256.346 0.690 10 0 CCAERO CC[C@H]([NH2+]C[C@@H](O)COCc1ccco1)[C@H](C)O ZINC000386707080 336177369 /nfs/dbraw/zinc/17/73/69/336177369.db2.gz OKQBBGRMIKKETL-LOWVWBTDSA-N 1 0 257.330 0.906 10 0 CCAERO CC(C)[NH2+]C[C@@H](C)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000052482738 519722520 /nfs/dbraw/zinc/72/25/20/519722520.db2.gz ORKFKQWERWMDCC-VXGBXAGGSA-N 1 0 262.419 0.739 10 0 CCAERO CC[NH2+]CCC(=O)Nc1ccc(=O)n(CCOC)c1 ZINC000061293000 519917847 /nfs/dbraw/zinc/91/78/47/519917847.db2.gz IAFWERYAIMDKFS-UHFFFAOYSA-N 1 0 267.329 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0.791 10 0 CCAERO O=C(C[C@H]1CCC[NH2+]1)Nc1ccc(N2CCOCC2)nc1 ZINC000042167396 518198962 /nfs/dbraw/zinc/19/89/62/518198962.db2.gz UGBQKIGYDOWUMM-GFCCVEGCSA-N 1 0 290.367 0.999 10 0 CCAERO O[C@@H]1C[NH2+]C[C@@H]1CNc1ccc(C(F)(F)F)cn1 ZINC000420254162 534416507 /nfs/dbraw/zinc/41/65/07/534416507.db2.gz RFMXTLKMOKQVLU-VXNVDRBHSA-N 1 0 261.247 0.515 10 0 CCAERO CC(C)[NH+]1CCN(CC[C@H]([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000062449948 519682486 /nfs/dbraw/zinc/68/24/86/519682486.db2.gz XKJYYYWNESQDJC-ZDUSSCGKSA-N 1 0 269.389 0.608 10 0 CCAERO CCCNC(=O)CN(CCC)C(=O)CC[NH2+]CC ZINC000061295865 519874775 /nfs/dbraw/zinc/87/47/75/519874775.db2.gz OIHCJMXQUIROFH-UHFFFAOYSA-N 1 0 257.378 0.751 10 0 CCAERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000061227693 519941346 /nfs/dbraw/zinc/94/13/46/519941346.db2.gz LWGAXTIBGYHQPT-SECBINFHSA-N 1 0 285.369 0.518 10 0 CCAERO CCC[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)nc1 ZINC000051446245 519949939 /nfs/dbraw/zinc/94/99/39/519949939.db2.gz UPUONWRNULSVPY-UHFFFAOYSA-N 1 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1 0 286.401 0.674 10 0 CCAERO CCC1(C(=O)NC[C@@H]2CCS(=O)(=O)C2)CC[NH2+]CC1 ZINC000062849365 521667330 /nfs/dbraw/zinc/66/73/30/521667330.db2.gz YRYIWHCTRSMXCX-NSHDSACASA-N 1 0 288.413 0.317 10 0 CCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCCNC(=O)C(C)C ZINC000182816226 521829718 /nfs/dbraw/zinc/82/97/18/521829718.db2.gz VXDTYMKMXZIIJL-WDEREUQCSA-N 1 0 257.378 0.638 10 0 CCAERO CN1CCO[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000156029682 521917426 /nfs/dbraw/zinc/91/74/26/521917426.db2.gz OWLKMYGHHXLRFA-OAHLLOKOSA-N 1 0 291.395 0.809 10 0 CCAERO C[NH2+]C(C)(C)C(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC000061316383 521934993 /nfs/dbraw/zinc/93/49/93/521934993.db2.gz HDNZFDSFZAGCFU-UHFFFAOYSA-N 1 0 267.373 0.502 10 0 CCAERO C[NH2+][C@@H](CCN1CC[NH+](C2CCCC2)CC1)C(=O)[O-] ZINC000062531586 522345134 /nfs/dbraw/zinc/34/51/34/522345134.db2.gz LBFHOUDQCJZJKG-ZDUSSCGKSA-N 1 0 269.389 0.609 10 0 CCAERO CN(CC(=O)NC(C)(C)C)C(=O)C1(C)CC[NH2+]CC1 ZINC000062840514 522455747 /nfs/dbraw/zinc/45/57/47/522455747.db2.gz 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/nfs/dbraw/zinc/62/95/36/523629536.db2.gz WHRQAXFMVKDQFK-QWRGUYRKSA-N 1 0 278.443 0.896 10 0 CCAERO CN(c1ccccn1)S(=O)(=O)C[C@H]1CCCC[NH2+]1 ZINC000049630775 523656422 /nfs/dbraw/zinc/65/64/22/523656422.db2.gz SHPHRXFTOIWCLN-LLVKDONJSA-N 1 0 269.370 0.990 10 0 CCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H](C)CC2(C)OCCO2)C1 ZINC000365115346 523739669 /nfs/dbraw/zinc/73/96/69/523739669.db2.gz VIHALYLYXVTGIO-GRYCIOLGSA-N 1 0 286.372 0.269 10 0 CCAERO CN1CCN(C[C@H]([NH3+])c2ccc3c(c2)OCO3)C1=O ZINC000052885743 523907949 /nfs/dbraw/zinc/90/79/49/523907949.db2.gz QEBMJBPIVMXRHE-JTQLQIEISA-N 1 0 263.297 0.783 10 0 CCAERO CN(C(=O)c1csc(N)n1)[C@H]1CCC[N@H+](C)C1 ZINC000055189332 523963443 /nfs/dbraw/zinc/96/34/43/523963443.db2.gz ZHQKZXXWKFFFHO-QMMMGPOBSA-N 1 0 254.359 0.892 10 0 CCAERO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](CN(C)C)C(C)C ZINC000049205319 524077775 /nfs/dbraw/zinc/07/77/75/524077775.db2.gz FFTXYYAFEHRIGK-NXEZZACHSA-N 1 0 258.366 0.006 10 0 CCAERO C[C@H]1CCC[C@H](C(=O)NC[C@@H]2COCCO2)[C@@H]1[NH3+] ZINC000055132817 524180049 /nfs/dbraw/zinc/18/00/49/524180049.db2.gz MWYNGDHZKIDAMP-WHOHXGKFSA-N 1 0 256.346 0.282 10 0 CCAERO C[C@H]1CC[C@@H](C(=O)N2CCNC(=O)CC2)C[C@@H]1[NH3+] ZINC000062098631 524331469 /nfs/dbraw/zinc/33/14/69/524331469.db2.gz ZVAZHCAZYBIPKD-AXFHLTTASA-N 1 0 253.346 0.098 10 0 CCAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2O)s1 ZINC000049183224 525940974 /nfs/dbraw/zinc/94/09/74/525940974.db2.gz BZCACZQBCHMDPI-AEJSXWLSSA-N 1 0 275.395 0.865 10 0 CCAERO Cc1cc(C(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)[nH]n1 ZINC000368948423 526244978 /nfs/dbraw/zinc/24/49/78/526244978.db2.gz CIRYBUYTMZLTJV-LLVKDONJSA-N 1 0 266.345 0.247 10 0 CCAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)Nc1ccon1 ZINC000183606116 526484450 /nfs/dbraw/zinc/48/44/50/526484450.db2.gz GOKQZWINAXAKIM-SNVBAGLBSA-N 1 0 268.317 0.643 10 0 CCAERO O=C(CC[N@H+]1C[C@H](O)C[C@@H]1CO)N1CCc2ccccc21 ZINC000184733593 526495756 /nfs/dbraw/zinc/49/57/56/526495756.db2.gz QGOKOBKRIHNQPH-ZIAGYGMSSA-N 1 0 290.363 0.393 10 0 CCAERO O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)[C@H]1CCC[NH2+]1 ZINC000183074780 526859157 /nfs/dbraw/zinc/85/91/57/526859157.db2.gz XBXVCCRTRUFZJX-IUODEOHRSA-N 1 0 287.363 0.940 10 0 CCAERO O=C1NCCCC[C@@H]1[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000049565545 527061933 /nfs/dbraw/zinc/06/19/33/527061933.db2.gz RPFUJWUKNVZJEQ-FRRDWIJNSA-N 1 0 251.374 0.872 10 0 CCAERO O=S(=O)(C[C@H]1CCC[NH2+]1)NCCc1ccccc1 ZINC000049641534 527186388 /nfs/dbraw/zinc/18/63/88/527186388.db2.gz SAQCPGZAJTXYIB-CYBMUJFWSA-N 1 0 268.382 0.901 10 0 CCAERO [NH3+]CCc1ccc(CNC(=O)[C@H]2CSC(=O)N2)cc1 ZINC000052899010 527196321 /nfs/dbraw/zinc/19/63/21/527196321.db2.gz GHXAFCCZTMDYBS-LLVKDONJSA-N 1 0 279.365 0.629 10 0 CCAERO [NH3+][C@H]1CCCCC[C@@H]1NC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000063210228 527393544 /nfs/dbraw/zinc/39/35/44/527393544.db2.gz DUVXXFOMQJSKEL-SRVKXCTJSA-N 1 0 288.413 0.587 10 0 CCAERO Cn1ccnc1[C@@H]1OCC[C@H]1C[NH2+]CC(C)(C)OCCO ZINC000668175163 545166386 /nfs/dbraw/zinc/16/63/86/545166386.db2.gz NDZPKHMRNGWRHT-QWHCGFSZSA-N 1 0 297.399 0.875 10 0 CCAERO Nc1nc(CC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cs1 ZINC000055272518 527548351 /nfs/dbraw/zinc/54/83/51/527548351.db2.gz GUZAACFRMAJVET-SNVBAGLBSA-N 1 0 266.370 0.574 10 0 CCAERO CC(C)S(=O)(=O)N[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000669372652 545206199 /nfs/dbraw/zinc/20/61/99/545206199.db2.gz VARLVQFOEGMEDP-RNFRBKRXSA-N 1 0 260.281 0.465 10 0 CCAERO CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000367514467 529256419 /nfs/dbraw/zinc/25/64/19/529256419.db2.gz NOOFCIPWMIGJEH-YUTCNCBUSA-N 1 0 281.400 0.844 10 0 CCAERO [NH3+]C[C@]12CN(C(=O)C3CCC3)C[C@H]1S(=O)(=O)CCC2 ZINC000675074016 545321008 /nfs/dbraw/zinc/32/10/08/545321008.db2.gz WJTMAPRFJFEKML-DGCLKSJQSA-N 1 0 286.397 0.151 10 0 CCAERO CCC(CC)[NH2+]Cc1cnn(C)c1S(N)(=O)=O ZINC000675074561 545321060 /nfs/dbraw/zinc/32/10/60/545321060.db2.gz FVDGTBHSTXPRDS-UHFFFAOYSA-N 1 0 260.363 0.346 10 0 CCAERO CCC(C)(C)[NH2+]Cc1cnn(C)c1S(N)(=O)=O ZINC000675074689 545321099 /nfs/dbraw/zinc/32/10/99/545321099.db2.gz HPBLKOBQGJROGG-UHFFFAOYSA-N 1 0 260.363 0.346 10 0 CCAERO CCCC(=O)NC[C@@]12C[NH2+]C[C@H]1S(=O)(=O)CCC2 ZINC000675073629 545321115 /nfs/dbraw/zinc/32/11/15/545321115.db2.gz RARZMDRTMOSKNV-ZYHUDNBSSA-N 1 0 274.386 0.070 10 0 CCAERO Cn1ncc(Br)c1C1=C[C@@H](O)C[NH2+]C1 ZINC000675076362 545321123 /nfs/dbraw/zinc/32/11/23/545321123.db2.gz BNSADSKRJYGQOS-SSDOTTSWSA-N 1 0 258.119 0.530 10 0 CCAERO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CC[C@@H](C[NH3+])CN2N1 ZINC000675073205 545321136 /nfs/dbraw/zinc/32/11/36/545321136.db2.gz HIACFIWUGOMVOT-AXFHLTTASA-N 1 0 255.362 0.644 10 0 CCAERO CCOc1ccc(CNC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000263227138 535725164 /nfs/dbraw/zinc/72/51/64/535725164.db2.gz MYGPDMIFZGBYBR-OCCSQVGLSA-N 1 0 250.342 0.755 10 0 CCAERO CC[C@H](C)[C@H](NC(=O)[C@H]1CC[C@H](C[NH3+])O1)C(=O)OC ZINC000251736379 535969541 /nfs/dbraw/zinc/96/95/41/535969541.db2.gz FYPQMRGOJWBKRT-ZDCRXTMVSA-N 1 0 272.345 0.197 10 0 CCAERO CN[C@@H](C(=O)NC[C@H](C1CC1)[NH+](C)C)c1cnn(C)c1 ZINC000262356914 536336284 /nfs/dbraw/zinc/33/62/84/536336284.db2.gz JUJNCEUQRXQPKL-CHWSQXEVSA-N 1 0 279.388 0.137 10 0 CCAERO C[N@H+](CCOCCO)[C@@H]1CCCN(c2cccnn2)C1 ZINC000132946719 536396463 /nfs/dbraw/zinc/39/64/63/536396463.db2.gz YWUCWJOVXZDKPY-CYBMUJFWSA-N 1 0 280.372 0.386 10 0 CCAERO C[NH2+][C@H](C)CNC(=O)[C@H]1CCCN1C(=O)C1CCCC1 ZINC000261638208 536399812 /nfs/dbraw/zinc/39/98/12/536399812.db2.gz DDBHKWDHAZYWSK-DGCLKSJQSA-N 1 0 281.400 0.892 10 0 CCAERO C[NH2+][C@H](C)CNS(=O)(=O)c1cccc2nsnc21 ZINC000262381808 536403940 /nfs/dbraw/zinc/40/39/40/536403940.db2.gz XYOOXTMGIOGXRN-SSDOTTSWSA-N 1 0 286.382 0.578 10 0 CCAERO O[C@@H]1C[C@H]2CC[N@@H+]3Cc4cc5c(cc4[C@@H]([C@@H]23)[C@@H]1O)OCO5 ZINC000008552231 560209454 /nfs/dbraw/zinc/20/94/54/560209454.db2.gz VJILFEGOWCJNIK-YDJYNKLNSA-N 1 0 289.331 0.829 10 0 in-vitro CCAERO Cn1ncc(Cl)c1C[NH2+][C@@H]1CCCN(CCO)C1 ZINC000394603712 581180250 /nfs/dbraw/zinc/18/02/50/581180250.db2.gz LQOPFNAORNBLAS-SNVBAGLBSA-N 1 0 272.780 0.620 10 0 CCAERO O[C@@]1(c2cn[nH]n2)CCC[N@H+](Cc2cccnc2)C1 ZINC000794010910 581328984 /nfs/dbraw/zinc/32/89/84/581328984.db2.gz VKVUYAPPAQQRIR-ZDUSSCGKSA-N 1 0 259.313 0.683 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CC(=O)N(C)C1 ZINC000253549072 581588737 /nfs/dbraw/zinc/58/87/37/581588737.db2.gz OBOJRLSNHBTNLZ-UPJWGTAASA-N 1 0 279.384 0.550 10 0 CCAERO Cn1nnc(Br)c1CN1CC[C@@H]1C[NH3+] ZINC000757144351 581679357 /nfs/dbraw/zinc/67/93/57/581679357.db2.gz JENILHGSCGPUBK-ZCFIWIBFSA-N 1 0 260.139 0.111 10 0 CCAERO CCc1cncc(S(=O)(=O)CC2=[NH+]CCCN2)c1 ZINC000757211500 581687890 /nfs/dbraw/zinc/68/78/90/581687890.db2.gz NXQBDVYXUASFCV-UHFFFAOYSA-N 1 0 267.354 0.810 10 0 CCAERO CCCN(CC)S(=O)(=O)C[C@H]([NH3+])[C@@H]1CCCOC1 ZINC000757149603 581696534 /nfs/dbraw/zinc/69/65/34/581696534.db2.gz FTJIVGKAPZNNCC-NEPJUHHUSA-N 1 0 278.418 0.802 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)NCC(=O)NCc1ccccc1 ZINC000136410306 614117482 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250.092 0.485 10 0 CCAERO Cc1ccnc(S(=O)(=O)NC2CC[NH2+]CC2)c1 ZINC000095069197 349586723 /nfs/dbraw/zinc/58/67/23/349586723.db2.gz YLLYWFVVZCCZDI-UHFFFAOYSA-N 1 0 255.343 0.420 10 0 CCAERO COc1cc(OC)c([C@H](C)NC(=O)C[NH3+])cc1OC ZINC000096890332 185124143 /nfs/dbraw/zinc/12/41/43/185124143.db2.gz CQXPBVHAWPJXKX-QMMMGPOBSA-N 1 0 268.313 0.848 10 0 CCAERO CC(C)(C)OC(=O)N[C@@H]1CC(=O)N2CC[NH2+]C[C@H]12 ZINC000096957985 185142005 /nfs/dbraw/zinc/14/20/05/185142005.db2.gz ZUZUCYOBZYLAAE-RKDXNWHRSA-N 1 0 255.318 0.084 10 0 CCAERO CC(C)(C)OC(=O)N1CC[C@]2(C1)C[NH2+]CC[C@H]2O ZINC000096957354 185140861 /nfs/dbraw/zinc/14/08/61/185140861.db2.gz OYBVANIEFYZEFB-ZWNOBZJWSA-N 1 0 256.346 0.968 10 0 CCAERO C[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000227429444 300373032 /nfs/dbraw/zinc/37/30/32/300373032.db2.gz MAKPTLXFQFQVSL-HBNTYKKESA-N 1 0 274.386 0.007 10 0 CCAERO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000102135396 349675970 /nfs/dbraw/zinc/67/59/70/349675970.db2.gz 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265.279 0.445 10 0 CCAERO O=C(CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)N1CCCCC1 ZINC000171900980 350941034 /nfs/dbraw/zinc/94/10/34/350941034.db2.gz NGDAXKNZHWGWQH-CYBMUJFWSA-N 1 0 294.399 0.489 10 0 CCAERO C[NH+](C)[C@@H]1CCN(C(=O)CCOC[C@@H]2CCCO2)C1 ZINC000170866202 350869996 /nfs/dbraw/zinc/86/99/96/350869996.db2.gz IELJNKZLQOADCD-OLZOCXBDSA-N 1 0 270.373 0.735 10 0 CCAERO COC[C@H](C)CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172487969 350987561 /nfs/dbraw/zinc/98/75/61/350987561.db2.gz GCXLXIGWELBYCY-VXGBXAGGSA-N 1 0 255.362 0.759 10 0 CCAERO Cn1cc(CCCNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000171906757 350942117 /nfs/dbraw/zinc/94/21/17/350942117.db2.gz VBVXVVURZHDAEV-CQSZACIVSA-N 1 0 291.399 0.842 10 0 CCAERO COCC[C@@H](C)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171906237 350942127 /nfs/dbraw/zinc/94/21/27/350942127.db2.gz YPTRZYNBXMCDJT-VXGBXAGGSA-N 1 0 255.362 0.901 10 0 CCAERO CC[C@@H](C)NC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000173767322 351053842 /nfs/dbraw/zinc/05/38/42/351053842.db2.gz IMNLFXNEFSJULQ-NEPJUHHUSA-N 1 0 255.362 0.901 10 0 CCAERO Cc1cc(NC(=O)N2CC[C@H](N3CCOCC3)C2)no1 ZINC000173773030 351054251 /nfs/dbraw/zinc/05/42/51/351054251.db2.gz AOGFGICYPAFRRV-NSHDSACASA-N 1 0 280.328 0.921 10 0 CCAERO O=C(Nc1nncs1)N1CC[C@@H](N2CCOCC2)C1 ZINC000173769775 351054377 /nfs/dbraw/zinc/05/43/77/351054377.db2.gz KQPHXXFKHYNJQK-SECBINFHSA-N 1 0 283.357 0.477 10 0 CCAERO CC(C)CNC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000173764997 351054404 /nfs/dbraw/zinc/05/44/04/351054404.db2.gz ZPXPAPVVKKKRMP-GFCCVEGCSA-N 1 0 255.362 0.759 10 0 CCAERO C[NH+](C)C[C@H]1CN(C(=O)[C@@H](O)c2ccccc2)CCO1 ZINC000174923665 351110948 /nfs/dbraw/zinc/11/09/48/351110948.db2.gz AORKREFVYYANTO-KBPBESRZSA-N 1 0 278.352 0.509 10 0 CCAERO CCNC(=O)NC(=O)CN1C[C@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000175038769 351115396 /nfs/dbraw/zinc/11/53/96/351115396.db2.gz BAQAMYGFASEPFH-NWDGAFQWSA-N 1 0 282.388 0.391 10 0 CCAERO NC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCC3(CCCC3)C2)C1 ZINC000174263180 351077192 /nfs/dbraw/zinc/07/71/92/351077192.db2.gz BDLFRNKOWDWSAV-CYBMUJFWSA-N 1 0 293.411 0.976 10 0 CCAERO O=C(NCc1cccnc1-n1cccn1)[C@@H]1CC[NH2+]C1 ZINC000178696799 351241008 /nfs/dbraw/zinc/24/10/08/351241008.db2.gz BVORFOZGVUYBBP-GFCCVEGCSA-N 1 0 271.324 0.493 10 0 CCAERO CN(C)c1ccccc1C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000179175947 351260278 /nfs/dbraw/zinc/26/02/78/351260278.db2.gz PTXXCPNHJARBOL-CHWSQXEVSA-N 1 0 250.342 0.680 10 0 CCAERO O=C(CCc1nnc[nH]1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177181561 351196380 /nfs/dbraw/zinc/19/63/80/351196380.db2.gz XTNBSXXEISDIIH-LLVKDONJSA-N 1 0 263.345 0.434 10 0 CCAERO C[C@H]1C[N@H+](CCCCCO)C[C@@H]1N1CCOCC1 ZINC000177256629 351199624 /nfs/dbraw/zinc/19/96/24/351199624.db2.gz CPGCFFWZMQUAJP-KBPBESRZSA-N 1 0 256.390 0.802 10 0 CCAERO O=C(CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)NCC1CC1 ZINC000183790652 351391630 /nfs/dbraw/zinc/39/16/30/351391630.db2.gz SBNOKHLJSXUNAK-GFCCVEGCSA-N 1 0 280.372 0.002 10 0 CCAERO CS(=O)(=O)CCN1CCCN(c2ccccn2)CC1 ZINC000183870014 351394457 /nfs/dbraw/zinc/39/44/57/351394457.db2.gz JGFSWZQNMVMOCC-UHFFFAOYSA-N 1 0 283.397 0.638 10 0 CCAERO O=C1CCCN1C[C@@H](O)C[NH2+][C@@H](CO)c1ccccc1 ZINC000183891329 351395837 /nfs/dbraw/zinc/39/58/37/351395837.db2.gz RZOKWXMZRLZRFH-KBPBESRZSA-N 1 0 278.352 0.293 10 0 CCAERO CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000185175915 351435970 /nfs/dbraw/zinc/43/59/70/351435970.db2.gz ZOQKAWZKPXAXNV-YNEHKIRRSA-N 1 0 272.389 0.307 10 0 CCAERO C[C@@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)[C@@H]1CCCO1 ZINC000188380755 351590772 /nfs/dbraw/zinc/59/07/72/351590772.db2.gz JXDIMPAVKNMMAC-KCJUWKMLSA-N 1 0 264.329 0.353 10 0 CCAERO O=C(CCNC(=O)[C@H]1C[C@H](F)C[NH2+]1)N1CCCCCC1 ZINC000188481258 351599641 /nfs/dbraw/zinc/59/96/41/351599641.db2.gz QDCMBEBBDUSVMA-NWDGAFQWSA-N 1 0 285.363 0.595 10 0 CCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)NCCCC(C)(C)CO)C1 ZINC000189288512 351665287 /nfs/dbraw/zinc/66/52/87/351665287.db2.gz MHWLVYYDEZNABH-WDEREUQCSA-N 1 0 258.362 0.278 10 0 CCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H](C)Cc2ccc(O)cc2)C1 ZINC000189298169 351667070 /nfs/dbraw/zinc/66/70/70/351667070.db2.gz UGBAEDYGXGJHSD-DDTOSNHZSA-N 1 0 278.352 0.816 10 0 CCAERO COCCCN(C)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000190669040 351729446 /nfs/dbraw/zinc/72/94/46/351729446.db2.gz ZAMKIGSXGHXCHX-GFCCVEGCSA-N 1 0 273.377 0.337 10 0 CCAERO CC1(C)CC[C@H](CNS(=O)(=O)CC[NH+]2CCCC2)O1 ZINC000192915230 351803914 /nfs/dbraw/zinc/80/39/14/351803914.db2.gz MLQUPQXIDNCIIS-GFCCVEGCSA-N 1 0 290.429 0.959 10 0 CCAERO CC(C)[NH2+]CCN1CCN(c2cnn(C)c2)CC1 ZINC000191523348 351761917 /nfs/dbraw/zinc/76/19/17/351761917.db2.gz BFQWSXJNMZDKSS-UHFFFAOYSA-N 1 0 251.378 0.540 10 0 CCAERO CC[NH+](CC)CCN1CC[C@H](C)S(=O)(=O)CC1 ZINC000191754332 351771118 /nfs/dbraw/zinc/77/11/18/351771118.db2.gz OMKWQEARSKQEQS-LBPRGKRZSA-N 1 0 262.419 0.837 10 0 CCAERO C[C@H](c1nc(N)nc(N(C)C)n1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193611250 351835797 /nfs/dbraw/zinc/83/57/97/351835797.db2.gz DWVAQLPICSYPOD-MXWKQRLJSA-N 1 0 291.403 0.074 10 0 CCAERO C[C@H]([NH2+]CC(=O)NCCCN1CCCC1=O)[C@@H]1CCCO1 ZINC000193123159 351812405 /nfs/dbraw/zinc/81/24/05/351812405.db2.gz PQBKNGSOORAOMO-STQMWFEESA-N 1 0 297.399 0.272 10 0 CCAERO C[NH2+]CC(=O)N1CCC(C2N=NC(=S)N2C2CC2)CC1 ZINC000193129581 351812555 /nfs/dbraw/zinc/81/25/55/351812555.db2.gz JONVRFDJNCHLQK-UHFFFAOYSA-N 1 0 295.412 0.827 10 0 CCAERO O=C(NCCCN1CC[NH2+]CC1)C1[C@@H]2CCC[C@H]12 ZINC000123980296 187116843 /nfs/dbraw/zinc/11/68/43/187116843.db2.gz GPMSYVFJGYELEJ-FUNVUKJBSA-N 1 0 251.374 0.444 10 0 CCAERO C[C@H]1C[C@@H](C[NH3+])CN1CN1C(=O)c2ccccc2C1=O ZINC000216171786 351939949 /nfs/dbraw/zinc/93/99/49/351939949.db2.gz YETFHUMGTMYZHO-QWRGUYRKSA-N 1 0 273.336 0.909 10 0 CCAERO O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CNC(=O)C1 ZINC000194884339 351889937 /nfs/dbraw/zinc/88/99/37/351889937.db2.gz URQATWSKBLARGN-ZDUSSCGKSA-N 1 0 293.411 0.893 10 0 CCAERO NC(=O)c1cc2ncnc(N3CCC(C[NH3+])CC3)c2s1 ZINC000224970439 351999247 /nfs/dbraw/zinc/99/92/47/351999247.db2.gz BXQFHAAROLZJGL-UHFFFAOYSA-N 1 0 291.380 0.965 10 0 CCAERO Cc1c(CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)cnn1C ZINC000226426023 352027307 /nfs/dbraw/zinc/02/73/07/352027307.db2.gz MQDJVVUPEWICIH-JOYOIKCWSA-N 1 0 250.346 0.733 10 0 CCAERO CCOC(=O)C[C@H](O)CN1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000226746341 352032724 /nfs/dbraw/zinc/03/27/24/352032724.db2.gz JWNABFZIVNPLPD-WOPDTQHZSA-N 1 0 258.362 0.182 10 0 CCAERO CS[C@H](CO)[C@H](C)[NH2+]C[C@@H](O)COCc1ccco1 ZINC000228378829 352074373 /nfs/dbraw/zinc/07/43/73/352074373.db2.gz IOHAVLJZZHLEKL-DMDPSCGWSA-N 1 0 289.397 0.859 10 0 CCAERO C[C@@]1(NCN2C(=O)c3ccccc3C2=O)CC[NH2+]C1 ZINC000230739043 352119247 /nfs/dbraw/zinc/11/92/47/352119247.db2.gz QBJLECNDCMDYFR-CQSZACIVSA-N 1 0 259.309 0.582 10 0 CCAERO CCN(C)C(=O)[C@H](C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000231853576 352136661 /nfs/dbraw/zinc/13/66/61/352136661.db2.gz RJORCGKMIKVYDY-QWRGUYRKSA-N 1 0 255.362 0.359 10 0 CCAERO COCCC(C)(C)CNC(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000234596319 352162625 /nfs/dbraw/zinc/16/26/25/352162625.db2.gz OZYPHBFZXZNJJO-GHMZBOCLSA-N 1 0 258.362 0.542 10 0 CCAERO Cc1nn(C)c(C)c1NC(=O)CN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235343033 352182572 /nfs/dbraw/zinc/18/25/72/352182572.db2.gz MDCKRLFAIPCWBL-KCJUWKMLSA-N 1 0 265.361 0.254 10 0 CCAERO C[C@H]1CN(C(=O)c2ccc(-n3cnnn3)cc2)C[C@H]1[NH3+] ZINC000235689566 352187109 /nfs/dbraw/zinc/18/71/09/352187109.db2.gz SMWKQTMXCLWWPB-JOYOIKCWSA-N 1 0 272.312 0.082 10 0 CCAERO Cc1cnc(CNC(=O)C2(C[NH3+])CCOCC2)s1 ZINC000235933120 352190558 /nfs/dbraw/zinc/19/05/58/352190558.db2.gz OEFHOHTWCFDWND-UHFFFAOYSA-N 1 0 269.370 0.823 10 0 CCAERO Cc1cc(NC[C@H]([NH3+])C(N)=O)ccc1Br ZINC000232431809 352144105 /nfs/dbraw/zinc/14/41/05/352144105.db2.gz RJQQCCUWOKRJEX-VIFPVBQESA-N 1 0 272.146 0.982 10 0 CCAERO CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@@H](CO)C[C@@H]2C1 ZINC000238098300 352297712 /nfs/dbraw/zinc/29/77/12/352297712.db2.gz IBSRGFUVJPIVEP-WDEREUQCSA-N 1 0 256.346 0.920 10 0 CCAERO COC(=O)[C@@]1(CNC(=O)OC(C)(C)C)CC[NH2+]C1 ZINC000238395848 352301377 /nfs/dbraw/zinc/30/13/77/352301377.db2.gz OMNIQRNOMDFDQB-LBPRGKRZSA-N 1 0 258.318 0.664 10 0 CCAERO CCCNC(=O)NC(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@H]1CC ZINC000245440712 352323320 /nfs/dbraw/zinc/32/33/20/352323320.db2.gz UUNMTFNLKIBXDM-OLZOCXBDSA-N 1 0 296.415 0.781 10 0 CCAERO CC(C)N(C)C(=O)[C@H](C)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000245458160 352324166 /nfs/dbraw/zinc/32/41/66/352324166.db2.gz COGXWIKAQPIAIF-STQMWFEESA-N 1 0 271.405 0.504 10 0 CCAERO Cn1cc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)c(=O)n(C)c1=O ZINC000245545186 352328983 /nfs/dbraw/zinc/32/89/83/352328983.db2.gz SXSVZJUOIZNNGD-OLZOCXBDSA-N 1 0 293.367 0.227 10 0 CCAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ncn(C)n1 ZINC000245567280 352329439 /nfs/dbraw/zinc/32/94/39/352329439.db2.gz UJAQSQWMPJIBJL-RYUDHWBXSA-N 1 0 292.387 0.583 10 0 CCAERO COC(=O)[C@@]1(C)CC[N@@H+]([C@H]2CCCCNC2=O)C1 ZINC000246007936 352345084 /nfs/dbraw/zinc/34/50/84/352345084.db2.gz ZDHBEIBOCXDQPE-GWCFXTLKSA-N 1 0 254.330 0.540 10 0 CCAERO CCCCNC(=O)C[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246379255 352363176 /nfs/dbraw/zinc/36/31/76/352363176.db2.gz IAGSHJVSODAQDZ-KBPBESRZSA-N 1 0 283.416 0.555 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC(=O)N1CCCC1 ZINC000246965147 352390626 /nfs/dbraw/zinc/39/06/26/352390626.db2.gz DLMNKNCHCJBLAY-OLZOCXBDSA-N 1 0 251.374 0.777 10 0 CCAERO Cc1noc(CCNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)n1 ZINC000247041764 352395318 /nfs/dbraw/zinc/39/53/18/352395318.db2.gz GQNYVBMHUDDVDO-PWSUYJOCSA-N 1 0 293.371 0.799 10 0 CCAERO CN1CCN(S(=O)(=O)C[C@H]2CCCO2)c2c[nH+]ccc21 ZINC000247037354 352395585 /nfs/dbraw/zinc/39/55/85/352395585.db2.gz UIQUKXLWNRUPST-LLVKDONJSA-N 1 0 297.380 0.847 10 0 CCAERO CC[C@H](C)NC(=O)CN1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000247064220 352396742 /nfs/dbraw/zinc/39/67/42/352396742.db2.gz GBKUOWDCPHDQQF-IHRRRGAJSA-N 1 0 285.432 0.678 10 0 CCAERO CCOC(=O)CCN1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000247091532 352397719 /nfs/dbraw/zinc/39/77/19/352397719.db2.gz HQMMFGJLOUZPID-STQMWFEESA-N 1 0 272.389 0.717 10 0 CCAERO CCNC(=O)CC[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000247320201 352409886 /nfs/dbraw/zinc/40/98/86/352409886.db2.gz WCZSKVWTXQIZRX-MNOVXSKESA-N 1 0 258.387 0.719 10 0 CCAERO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C1=NNC(=O)CC1 ZINC000247433785 352414237 /nfs/dbraw/zinc/41/42/37/352414237.db2.gz OWEIGFBRWGUHHN-MWLCHTKSSA-N 1 0 266.345 0.051 10 0 CCAERO COC(=O)CCCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247459798 352415904 /nfs/dbraw/zinc/41/59/04/352415904.db2.gz QRSBCJJMBBICJW-NEPJUHHUSA-N 1 0 283.372 0.818 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCS(C)(=O)=O ZINC000247522127 352419492 /nfs/dbraw/zinc/41/94/92/352419492.db2.gz WWBPVQIHBYLCMZ-NEPJUHHUSA-N 1 0 288.413 0.506 10 0 CCAERO O=C(CCN1CC[N@@H+]2CCCC[C@@H]2C1)N1CCOCC1 ZINC000248359164 352436061 /nfs/dbraw/zinc/43/60/61/352436061.db2.gz RPXKEFASMFBFAY-CQSZACIVSA-N 1 0 281.400 0.405 10 0 CCAERO COC(=O)[C@@H]1C[C@H]1C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000247197640 352404220 /nfs/dbraw/zinc/40/42/20/352404220.db2.gz LNWRHHQOSGRTLM-GMTAPVOTSA-N 1 0 254.330 0.206 10 0 CCAERO C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](N3CCOCC3)C2)C1 ZINC000247227825 352404882 /nfs/dbraw/zinc/40/48/82/352404882.db2.gz WTHLHGOBIOLJJM-HUUCEWRRSA-N 1 0 295.427 0.651 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nc(N(C)C)no1 ZINC000249514504 352493757 /nfs/dbraw/zinc/49/37/57/352493757.db2.gz IUBPXBUBVKCUDL-MNOVXSKESA-N 1 0 265.361 0.804 10 0 CCAERO CO[C@H](C)[C@H](C)NC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248896275 352464954 /nfs/dbraw/zinc/46/49/54/352464954.db2.gz ZWEOJESYYXKPKS-MROQNXINSA-N 1 0 287.404 0.506 10 0 CCAERO C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)[C@@H]([NH3+])CCC(N)=O ZINC000248900401 352466903 /nfs/dbraw/zinc/46/69/03/352466903.db2.gz YUCYXNSXZWXVKR-BNOWGMLFSA-N 1 0 289.379 0.984 10 0 CCAERO OCCOc1cncc(N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000249105767 352477698 /nfs/dbraw/zinc/47/76/98/352477698.db2.gz LHSDTUKTPHPHIO-NSHDSACASA-N 1 0 264.329 0.132 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](C)N2CCOCC2)C1 ZINC000249750718 352501229 /nfs/dbraw/zinc/50/12/29/352501229.db2.gz CKCWNQNSUNICSP-UONOGXRCSA-N 1 0 298.431 0.491 10 0 CCAERO COC(=O)c1ccc(N2CCO[C@@H]([C@H](C)[NH3+])C2)nc1C ZINC000250945360 352509152 /nfs/dbraw/zinc/50/91/52/352509152.db2.gz GSWZTWPXURMGJN-JOYOIKCWSA-N 1 0 279.340 0.729 10 0 CCAERO Cc1noc([C@@H]2C[N@H+](Cc3c(C)n[nH]c3C)C[C@H]2CO)n1 ZINC000253397554 352533155 /nfs/dbraw/zinc/53/31/55/352533155.db2.gz BMLFTAGVLKHQJV-WCQYABFASA-N 1 0 291.355 0.926 10 0 CCAERO C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000265581233 352647587 /nfs/dbraw/zinc/64/75/87/352647587.db2.gz IKOJAMWRHGGTOV-STQMWFEESA-N 1 0 289.383 0.656 10 0 CCAERO C[C@H](O)C[N@@H+]1CCN(c2nccn3cnnc23)C[C@H]1C ZINC000266451119 352703392 /nfs/dbraw/zinc/70/33/92/352703392.db2.gz NZIKXJRKMPGHHX-MNOVXSKESA-N 1 0 276.344 0.016 10 0 CCAERO Cn1cccc1C(=O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000155295419 188196973 /nfs/dbraw/zinc/19/69/73/188196973.db2.gz KKKALTUBRAISQQ-GFCCVEGCSA-N 1 0 265.357 0.470 10 0 CCAERO COc1ccc(COCCNC(=O)[C@@H](C)[NH3+])cc1 ZINC000158184692 188362830 /nfs/dbraw/zinc/36/28/30/188362830.db2.gz FRZBJFLAINMIRY-SNVBAGLBSA-N 1 0 252.314 0.675 10 0 CCAERO COc1c(C[NH2+]CC2([S@](C)=O)CC2)c(C)nn1C ZINC000282532047 353432870 /nfs/dbraw/zinc/43/28/70/353432870.db2.gz ZBAPENWSMUJNJM-SFHVURJKSA-N 1 0 271.386 0.738 10 0 CCAERO COc1c(C[NH2+]CC2([S@@](C)=O)CC2)c(C)nn1C ZINC000282532046 353433074 /nfs/dbraw/zinc/43/30/74/353433074.db2.gz ZBAPENWSMUJNJM-GOSISDBHSA-N 1 0 271.386 0.738 10 0 CCAERO Cc1cc(NC(=O)CN2CCC[C@@H](O)[C@@H]2C)on1 ZINC000296415062 353946686 /nfs/dbraw/zinc/94/66/86/353946686.db2.gz VIDDOOZVBZZTCE-VHSXEESVSA-N 1 0 253.302 0.767 10 0 CCAERO CN([C@H]1CCC[NH2+]CC1)S(=O)(=O)C[C@H]1CCCO1 ZINC000300280476 354062038 /nfs/dbraw/zinc/06/20/38/354062038.db2.gz UHSWFDPYTBMZIV-NWDGAFQWSA-N 1 0 276.402 0.569 10 0 CCAERO COC(=O)c1cnc(N2CC[N@@H+]3CCCC[C@H]3C2)cn1 ZINC000300416727 354064588 /nfs/dbraw/zinc/06/45/88/354064588.db2.gz VXJJBYSQZIHGPL-NSHDSACASA-N 1 0 276.340 0.938 10 0 CCAERO [NH3+]Cc1cn(-c2cnc(Br)cn2)cn1 ZINC000300719598 354067945 /nfs/dbraw/zinc/06/79/45/354067945.db2.gz BMUDFXFHUFSNRG-UHFFFAOYSA-N 1 0 254.091 0.884 10 0 CCAERO COC[C@H](C)OC[C@H](O)C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000300256533 354061459 /nfs/dbraw/zinc/06/14/59/354061459.db2.gz DAGTZWVIODCEPZ-UMSGYPCISA-N 1 0 261.362 0.556 10 0 CCAERO COC(=O)c1cncnc1N1CC[C@@H]([NH+](C)C)C1 ZINC000305902527 354168235 /nfs/dbraw/zinc/16/82/35/354168235.db2.gz AEXTZZQBVOLMRY-SECBINFHSA-N 1 0 250.302 0.404 10 0 CCAERO CC1(Nc2ncc(I)cn2)C[NH2+]C1 ZINC000306591610 354175920 /nfs/dbraw/zinc/17/59/20/354175920.db2.gz VSIIZVVMAKKUSQ-UHFFFAOYSA-N 1 0 290.108 0.855 10 0 CCAERO C[N@@H+]1CCO[C@@H]2CCN(c3ncnc4[nH]ccc43)C[C@@H]21 ZINC000328946248 283000136 /nfs/dbraw/zinc/00/01/36/283000136.db2.gz JYANJORMVKBAGT-NWDGAFQWSA-N 1 0 273.340 0.867 10 0 CCAERO O=C1c2ccccc2C(=O)N1CSC1=[NH+]CCN1 ZINC000307386441 354179754 /nfs/dbraw/zinc/17/97/54/354179754.db2.gz KAGQRQXZQWNURS-UHFFFAOYSA-N 1 0 261.306 0.933 10 0 CCAERO [NH3+]C1(C(=O)NCc2cc(Br)c[nH]2)CC1 ZINC000307398621 354179964 /nfs/dbraw/zinc/17/99/64/354179964.db2.gz UFFIDHRKGFHAAT-UHFFFAOYSA-N 1 0 258.119 0.885 10 0 CCAERO Cc1c(C[NH2+][C@@H]2CCS(=O)(=O)[C@@H]2C)cnn1C ZINC000310375995 354188941 /nfs/dbraw/zinc/18/89/41/354188941.db2.gz ZUUPOLCBIHDOAY-MWLCHTKSSA-N 1 0 257.359 0.394 10 0 CCAERO c1nc2c(c(N3CC[C@@H](N4CC[NH2+]CC4)C3)n1)CCC2 ZINC000312437656 354208509 /nfs/dbraw/zinc/20/85/09/354208509.db2.gz VHLAYKMVTPSZQB-GFCCVEGCSA-N 1 0 273.384 0.449 10 0 CCAERO O=C1CCCN1C[C@H](O)C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000328624671 354241051 /nfs/dbraw/zinc/24/10/51/354241051.db2.gz ZTOVYIQMQSDSOV-UONOGXRCSA-N 1 0 292.383 0.503 10 0 CCAERO COC(=O)CCCCCCCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000163124478 188599561 /nfs/dbraw/zinc/59/95/61/188599561.db2.gz PRHFQDVARCWZOF-RYUDHWBXSA-N 1 0 286.372 0.339 10 0 CCAERO CN1CCO[C@H](CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000246358388 283024311 /nfs/dbraw/zinc/02/43/11/283024311.db2.gz DXQGEAFLNRHSHU-TZMCWYRMSA-N 1 0 296.415 0.101 10 0 CCAERO CS[C@@H]1CN(C(=O)CC[C@@H]2CCC(=O)N2)C[C@@H]1[NH+](C)C ZINC000333610969 354763182 /nfs/dbraw/zinc/76/31/82/354763182.db2.gz WRKOGUXEJGXCNJ-SDDRHHMPSA-N 1 0 299.440 0.549 10 0 CCAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CCC[C@H](n2cncn2)C1 ZINC000333721833 354783246 /nfs/dbraw/zinc/78/32/46/354783246.db2.gz UTYUVDHUKKPDBW-STQMWFEESA-N 1 0 292.387 0.767 10 0 CCAERO COc1cc(CNC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccn1 ZINC000333892394 354811823 /nfs/dbraw/zinc/81/18/23/354811823.db2.gz HFFXBTULCATYQN-AVGNSLFASA-N 1 0 290.367 0.969 10 0 CCAERO C[C@H]1CCCC[C@@H]1OCCNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333914344 354815585 /nfs/dbraw/zinc/81/55/85/354815585.db2.gz FZARCZJBBPLRBG-XUXIUFHCSA-N 1 0 299.415 0.556 10 0 CCAERO C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]32)CC1 ZINC000334308817 354859197 /nfs/dbraw/zinc/85/91/97/354859197.db2.gz FFGGTEMPBZPUCN-JQWIXIFHSA-N 1 0 265.357 0.208 10 0 CCAERO C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)CCS1 ZINC000334513326 354881985 /nfs/dbraw/zinc/88/19/85/354881985.db2.gz HTBXMWPJBMLDGP-NWDGAFQWSA-N 1 0 299.440 0.503 10 0 CCAERO O=C(c1cccc(F)c1F)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000335195037 354982648 /nfs/dbraw/zinc/98/26/48/354982648.db2.gz QYXNNSOLCDIXCD-WDEREUQCSA-N 1 0 268.263 0.778 10 0 CCAERO COC(=O)[C@@H]1CN(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)CCO1 ZINC000341617507 355704830 /nfs/dbraw/zinc/70/48/30/355704830.db2.gz QOMHOPPLWWTXQX-SRVKXCTJSA-N 1 0 299.371 0.053 10 0 CCAERO CN(CC1(O)CCOCC1)C(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 ZINC000341628363 355707007 /nfs/dbraw/zinc/70/70/07/355707007.db2.gz FJFVNWLYQGWAAI-STQMWFEESA-N 1 0 299.415 0.652 10 0 CCAERO COC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000377583307 137775493 /nfs/dbraw/zinc/77/54/93/137775493.db2.gz QBNVUNCZFGFNBI-GRYCIOLGSA-N 1 0 268.357 0.786 10 0 CCAERO CN1CC[C@H]([N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)C1=O ZINC000252475843 283118903 /nfs/dbraw/zinc/11/89/03/283118903.db2.gz GCOVXYCOLTWKTQ-SGMGOOAPSA-N 1 0 252.358 0.844 10 0 CCAERO Cc1oc2nc[nH]c(=O)c2c1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000429552568 235465109 /nfs/dbraw/zinc/46/51/09/235465109.db2.gz AYVSKHHOOXPMPU-QMMMGPOBSA-N 1 0 276.296 0.704 10 0 CCAERO Cc1nn(C)c(N)c1C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000328813051 202068702 /nfs/dbraw/zinc/06/87/02/202068702.db2.gz NFZDBQBHCGQCRC-MNOVXSKESA-N 1 0 277.372 0.477 10 0 CCAERO C[N@@H+]1CCO[C@H]2CCN(c3nnc(C4CC4)o3)C[C@@H]21 ZINC000329002743 202145952 /nfs/dbraw/zinc/14/59/52/202145952.db2.gz WKHAKNRWVOMRDM-QWRGUYRKSA-N 1 0 264.329 0.856 10 0 CCAERO CO[C@H]1C[C@@H](C(=O)N2CCC[C@H](n3cncn3)C2)[N@H+](C)C1 ZINC000329035882 202161617 /nfs/dbraw/zinc/16/16/17/202161617.db2.gz REAOWEPLTBOJLZ-AVGNSLFASA-N 1 0 293.371 0.161 10 0 CCAERO CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000329160855 202211252 /nfs/dbraw/zinc/21/12/52/202211252.db2.gz FBAFXLQPXQEXMC-MXWKQRLJSA-N 1 0 279.344 0.187 10 0 CCAERO CCCCN1CCOC[C@@H]1C(=O)N1CC[C@@](C)(O)C1 ZINC000364587378 357123162 /nfs/dbraw/zinc/12/31/62/357123162.db2.gz BIDMWOPCLVAICR-TZMCWYRMSA-N 1 0 270.373 0.471 10 0 CCAERO NC(=O)[C@@]1(O)CCC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000377374350 357568189 /nfs/dbraw/zinc/56/81/89/357568189.db2.gz WKKJLTACWILNDU-OAHLLOKOSA-N 1 0 276.336 0.434 10 0 CCAERO [NH3+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1c1ccccc1 ZINC000388467200 357734177 /nfs/dbraw/zinc/73/41/77/357734177.db2.gz CDAPKUYLZDOMNX-WDEREUQCSA-N 1 0 257.297 0.372 10 0 CCAERO c1cc2[nH]cnc(=NC[C@@H]3C[NH2+]CCCO3)c2s1 ZINC000390135058 357741840 /nfs/dbraw/zinc/74/18/40/357741840.db2.gz RCSPJZGHUQWHFK-VIFPVBQESA-N 1 0 264.354 0.904 10 0 CCAERO COC[C@](C)(O)C[NH2+]Cc1c(C)nn(C)c1OC ZINC000394595984 357756706 /nfs/dbraw/zinc/75/67/06/357756706.db2.gz BCFLGVMIVXYRRA-GFCCVEGCSA-N 1 0 257.334 0.224 10 0 CCAERO [NH3+]CC1(O)CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000397078722 357769971 /nfs/dbraw/zinc/76/99/71/357769971.db2.gz POSAPVYRJNCQRD-UHFFFAOYSA-N 1 0 288.344 0.300 10 0 CCAERO O=C(CCc1ccncc1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000403969526 357811621 /nfs/dbraw/zinc/81/16/21/357811621.db2.gz AWHMNGPZYWTIEB-ZIAGYGMSSA-N 1 0 275.352 0.604 10 0 CCAERO CCOCCCC(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404050733 357814672 /nfs/dbraw/zinc/81/46/72/357814672.db2.gz DZNHFWJVNTYCSF-NWDGAFQWSA-N 1 0 256.346 0.392 10 0 CCAERO COC(=O)c1ccc(CN2CC[C@H]3OCC[NH2+][C@H]3C2)o1 ZINC000404205537 357817512 /nfs/dbraw/zinc/81/75/12/357817512.db2.gz RZEMSGGHHZKYNY-NWDGAFQWSA-N 1 0 280.324 0.629 10 0 CCAERO COC(=O)c1ccc(CN2CC[C@@H]3OCC[NH2+][C@H]3C2)o1 ZINC000404205538 357817527 /nfs/dbraw/zinc/81/75/27/357817527.db2.gz RZEMSGGHHZKYNY-RYUDHWBXSA-N 1 0 280.324 0.629 10 0 CCAERO Cc1noc([C@@H](C)N2CC[NH+](CC3(O)CCC3)CC2)n1 ZINC000407950680 357834893 /nfs/dbraw/zinc/83/48/93/357834893.db2.gz CINHISVBUASQDU-LLVKDONJSA-N 1 0 280.372 0.972 10 0 CCAERO CCc1nn(C)cc1C(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000408022686 357871714 /nfs/dbraw/zinc/87/17/14/357871714.db2.gz NEZLWSJPBCZCHN-KGLIPLIRSA-N 1 0 292.383 0.528 10 0 CCAERO CCc1nn(C)cc1C(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000408022688 357872403 /nfs/dbraw/zinc/87/24/03/357872403.db2.gz NEZLWSJPBCZCHN-ZIAGYGMSSA-N 1 0 292.383 0.528 10 0 CCAERO CCc1nn(C)cc1C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000408040996 357882677 /nfs/dbraw/zinc/88/26/77/357882677.db2.gz KETHWPUUPHPQRS-ZIAGYGMSSA-N 1 0 292.383 0.528 10 0 CCAERO C[C@@H]1C[N@H+](CC(=O)N[C@H]2CCCC[C@H]2C)C[C@H]1C(N)=O ZINC000408046631 357886156 /nfs/dbraw/zinc/88/61/56/357886156.db2.gz COPRCUMPBAZNJA-LPWJVIDDSA-N 1 0 281.400 0.735 10 0 CCAERO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@@H+]1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000408047047 357887606 /nfs/dbraw/zinc/88/76/06/357887606.db2.gz FIPRHUKZJBYBIH-XGFWRYKXSA-N 1 0 295.427 0.933 10 0 CCAERO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCO1 ZINC000408072660 357903446 /nfs/dbraw/zinc/90/34/46/357903446.db2.gz SNDBQWCHTHDZHE-IJLUTSLNSA-N 1 0 276.402 0.615 10 0 CCAERO CC[C@@H]1C[C@H](C(=O)N2CCC[C@H]([NH+](C)C)C2)CC(=O)N1 ZINC000408200816 357966503 /nfs/dbraw/zinc/96/65/03/357966503.db2.gz BZZXLVSCMJNHSF-XQQFMLRXSA-N 1 0 281.400 0.844 10 0 CCAERO CNS(=O)(=O)CCC[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000408205003 357968914 /nfs/dbraw/zinc/96/89/14/357968914.db2.gz PIVVEBXTCOLMIW-GFCCVEGCSA-N 1 0 290.429 0.817 10 0 CCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCO[C@H](C)C2)C[C@H]1C ZINC000408211162 357973807 /nfs/dbraw/zinc/97/38/07/357973807.db2.gz MYLQWGOCRKDHEA-XJFOESAGSA-N 1 0 299.415 0.650 10 0 CCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCO[C@H]2C)C[C@@H]1C ZINC000408210720 357973927 /nfs/dbraw/zinc/97/39/27/357973927.db2.gz JYXGPHGBGFBQCU-ZDEQEGDKSA-N 1 0 285.388 0.260 10 0 CCAERO COC1CCN(C(=O)N2CCC[N@H+](CCO)CC2)CC1 ZINC000408284283 358009333 /nfs/dbraw/zinc/00/93/33/358009333.db2.gz WDFOXZKLNOEDRD-UHFFFAOYSA-N 1 0 285.388 0.217 10 0 CCAERO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CC[S@](=O)C2)C1 ZINC000408309407 358025763 /nfs/dbraw/zinc/02/57/63/358025763.db2.gz MMODFQNROHSBOG-CLUVUEOHSA-N 1 0 287.429 0.633 10 0 CCAERO NC(=O)[C@@H]1CCCCN1C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000135283765 283316100 /nfs/dbraw/zinc/31/61/00/283316100.db2.gz KLLHNFGCHICNNQ-MNOVXSKESA-N 1 0 253.346 0.243 10 0 CCAERO C[NH+](C)CC1(C(=O)N2CCO[C@@H](CO)C2)CCCCC1 ZINC000408369574 358057422 /nfs/dbraw/zinc/05/74/22/358057422.db2.gz ZDACSAQQHPJIAK-CYBMUJFWSA-N 1 0 284.400 0.718 10 0 CCAERO Cn1ncc(Cl)c1S(=O)(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000408386921 358067925 /nfs/dbraw/zinc/06/79/25/358067925.db2.gz QHXSHPLUBVMJSE-QMMMGPOBSA-N 1 0 292.792 0.398 10 0 CCAERO Cc1ccncc1S(=O)(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000408457738 358104471 /nfs/dbraw/zinc/10/44/71/358104471.db2.gz QISIKNNWWNBWQD-LBPRGKRZSA-N 1 0 299.396 0.341 10 0 CCAERO O=C1c2sccc2S(=O)(=O)N1[C@@H]1CCC[NH2+]C1 ZINC000409422206 358111522 /nfs/dbraw/zinc/11/15/22/358111522.db2.gz CSLQUWGEQKTCSW-SSDOTTSWSA-N 1 0 272.351 0.645 10 0 CCAERO O=C(c1ccncc1F)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000567982341 358620763 /nfs/dbraw/zinc/62/07/63/358620763.db2.gz WINCDFDNLRSTJT-WDEREUQCSA-N 1 0 251.261 0.034 10 0 CCAERO C[NH2+]CC1CCN(Cc2nnnn2C(C)C)CC1 ZINC000584719976 359195490 /nfs/dbraw/zinc/19/54/90/359195490.db2.gz BRGGOGZLXDURDU-UHFFFAOYSA-N 1 0 252.366 0.685 10 0 CCAERO C[C@@]1(C(=O)N2CCNC[C@@](C)(F)C2)CCCC[NH2+]1 ZINC000336221646 213048484 /nfs/dbraw/zinc/04/84/84/213048484.db2.gz AMEGOKFOQBJJQB-OLZOCXBDSA-N 1 0 257.353 0.679 10 0 CCAERO CC[C@H](NC(=O)C1(CCOC)CC[NH2+]CC1)C(=O)OC ZINC000591593417 359604864 /nfs/dbraw/zinc/60/48/64/359604864.db2.gz IJYNRLFGZWAGQY-NSHDSACASA-N 1 0 286.372 0.461 10 0 CCAERO CCOC(=O)CCCNC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000591595750 359606187 /nfs/dbraw/zinc/60/61/87/359606187.db2.gz DDYQQVUBANKQCC-CYBMUJFWSA-N 1 0 272.345 0.215 10 0 CCAERO CC(C)(C(=O)NCCC1(C)CC1)N1CC[NH2+]CC1 ZINC000563095083 291191792 /nfs/dbraw/zinc/19/17/92/291191792.db2.gz JZJBFIOYZFCVTK-UHFFFAOYSA-N 1 0 253.390 0.977 10 0 CCAERO CC[N@@H+]1CCC[C@@H](Nc2ccc3nc(C)nn3n2)C1 ZINC000329311818 202275909 /nfs/dbraw/zinc/27/59/09/202275909.db2.gz PVJJCRWUEWTPJR-LLVKDONJSA-N 1 0 260.345 0.751 10 0 CCAERO COC(=O)C[C@@H]1CN(C(=O)CC[C@H]2CCC[NH2+]2)CCO1 ZINC000592211909 359799973 /nfs/dbraw/zinc/79/99/73/359799973.db2.gz NODKYOBLTYQRMD-VXGBXAGGSA-N 1 0 284.356 0.309 10 0 CCAERO Cn1[nH]c(CN2CC[C@@]3(O)CCCC[C@H]3C2)nc1=O ZINC000329559158 202384662 /nfs/dbraw/zinc/38/46/62/202384662.db2.gz FNHKFPZPCVQPTM-GWCFXTLKSA-N 1 0 266.345 0.235 10 0 CCAERO [NH3+]Cc1cc(I)cc(=O)[nH]1 ZINC000095766791 283527623 /nfs/dbraw/zinc/52/76/23/283527623.db2.gz MKOJZILAOPXMMG-UHFFFAOYSA-N 1 0 250.039 0.851 10 0 CCAERO COC(=O)[C@@H]1CCCN(C(=O)C[C@@H]([NH3+])C(C)C)C1 ZINC000593911476 360207412 /nfs/dbraw/zinc/20/74/12/360207412.db2.gz HDPVAICAJUOHQZ-GHMZBOCLSA-N 1 0 256.346 0.771 10 0 CCAERO C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H]1CCO[C@H]1C1CC1 ZINC000333576602 283559536 /nfs/dbraw/zinc/55/95/36/283559536.db2.gz NBQFVGQSGWYLBQ-XQQFMLRXSA-N 1 0 267.373 0.947 10 0 CCAERO O=C([C@@H]1CCCN1C1CC[NH2+]CC1)N1CCCC[C@@H]1CO ZINC000038043214 296017590 /nfs/dbraw/zinc/01/75/90/296017590.db2.gz BMYIGFVGWQXFHK-CABCVRRESA-N 1 0 295.427 0.576 10 0 CCAERO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000178517537 189123289 /nfs/dbraw/zinc/12/32/89/189123289.db2.gz VPRXOJPTXUUOCA-ZDUSSCGKSA-N 1 0 288.351 0.635 10 0 CCAERO Cc1conc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000179047369 189164520 /nfs/dbraw/zinc/16/45/20/189164520.db2.gz CPLCRMKMFGLODD-JTQLQIEISA-N 1 0 278.312 0.228 10 0 CCAERO C[C@H]1CN(CC2(CS(C)(=O)=O)CC2)C[C@@H]1C[NH3+] ZINC000631837224 370702052 /nfs/dbraw/zinc/70/20/52/370702052.db2.gz PHJPFQCQPRGZLZ-QWRGUYRKSA-N 1 0 260.403 0.338 10 0 CCAERO C[C@H]1CN(Cc2cc(=O)n3ccsc3n2)C[C@@H]1C[NH3+] ZINC000631843547 370709684 /nfs/dbraw/zinc/70/96/84/370709684.db2.gz PEBZXXFSCOKKTP-UWVGGRQHSA-N 1 0 278.381 0.783 10 0 CCAERO C[C@H]1CN(CC(=O)NCC(F)(F)F)C[C@H]1C[NH3+] ZINC000631844216 370710607 /nfs/dbraw/zinc/71/06/07/370710607.db2.gz VXWPQXQFJDQIQE-JGVFFNPUSA-N 1 0 253.268 0.192 10 0 CCAERO O=C1CCCN1C[C@H](O)C[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000330257627 202672245 /nfs/dbraw/zinc/67/22/45/202672245.db2.gz LRZSSVZVYFPZOD-MBNYWOFBSA-N 1 0 268.357 0.127 10 0 CCAERO [NH3+]CCN1CCO[C@@H](c2ccc(CCO)cc2)CC1 ZINC000616665990 365418172 /nfs/dbraw/zinc/41/81/72/365418172.db2.gz BTVRIDCNLPTKCB-OAHLLOKOSA-N 1 0 264.369 0.944 10 0 CCAERO OCC[N@@H+]1CCO[C@H](c2ccc(CO)cc2)CC1 ZINC000616665650 365419192 /nfs/dbraw/zinc/41/91/92/365419192.db2.gz QNWZBPDWXMWZNA-AWEZNQCLSA-N 1 0 251.326 0.935 10 0 CCAERO CO[C@@H]1C[NH2+]CCN1CCNC(=O)OC(C)(C)C ZINC000616635284 365394108 /nfs/dbraw/zinc/39/41/08/365394108.db2.gz BRYMXSQSWPDSFQ-SNVBAGLBSA-N 1 0 259.350 0.389 10 0 CCAERO NS(=O)(=O)N1CC[NH2+]C[C@@H]1c1cc2ccccc2cn1 ZINC000616636088 365394821 /nfs/dbraw/zinc/39/48/21/365394821.db2.gz OGHCYYMTJVHHIW-CYBMUJFWSA-N 1 0 292.364 0.385 10 0 CCAERO [NH3+]CCN1CCOC[C@H]1c1cc2ccccc2nn1 ZINC000616640735 365400461 /nfs/dbraw/zinc/40/04/61/365400461.db2.gz MKFQUTXMAMVWTR-AWEZNQCLSA-N 1 0 258.325 0.962 10 0 CCAERO OCCc1ccc([C@@H]2COCCC[N@H+]2CCO)cc1 ZINC000616646034 365404072 /nfs/dbraw/zinc/40/40/72/365404072.db2.gz RXENCHMPNASSTE-HNNXBMFYSA-N 1 0 265.353 0.977 10 0 CCAERO NC(=O)c1ccccc1[C@@H]1COCCCN1CC[NH3+] ZINC000616646178 365405435 /nfs/dbraw/zinc/40/54/35/365405435.db2.gz UFUYBWLMXBZENK-ZDUSSCGKSA-N 1 0 263.341 0.508 10 0 CCAERO [NH3+]CCN1CCO[C@H](c2ccc3nnccc3c2)C1 ZINC000616649281 365407531 /nfs/dbraw/zinc/40/75/31/365407531.db2.gz YMLQKPDDLGYMBW-AWEZNQCLSA-N 1 0 258.325 0.962 10 0 CCAERO OCCN1CC[NH2+][C@@H](c2cnnc3ccccc32)C1 ZINC000616652003 365409444 /nfs/dbraw/zinc/40/94/44/365409444.db2.gz ATTQCOHZWYOZCE-CQSZACIVSA-N 1 0 258.325 0.568 10 0 CCAERO [NH3+]C[C@H]1CCN(S(=O)(=O)c2ccccc2)CCO1 ZINC000616593301 365376733 /nfs/dbraw/zinc/37/67/33/365376733.db2.gz KDTVQQBRUWTZIA-LLVKDONJSA-N 1 0 270.354 0.425 10 0 CCAERO NC(=O)c1ccc([C@H]2CC[N@H+](CCO)CCO2)cc1 ZINC000616594788 365377789 /nfs/dbraw/zinc/37/77/89/365377789.db2.gz HQFHRTHULBTROD-CYBMUJFWSA-N 1 0 264.325 0.541 10 0 CCAERO [NH3+]CCN1CCCOC[C@@H]1c1ccccc1CCO ZINC000616598371 365378868 /nfs/dbraw/zinc/37/88/68/365378868.db2.gz XXPPQJQSWDMRID-OAHLLOKOSA-N 1 0 264.369 0.944 10 0 CCAERO NC(=O)c1ccc([C@@H]2COCCN(CC[NH3+])C2)cc1 ZINC000616659261 365412710 /nfs/dbraw/zinc/41/27/10/365412710.db2.gz DSAGRFJCUQEITE-ZDUSSCGKSA-N 1 0 263.341 0.160 10 0 CCAERO [NH3+]CCN1CCOC[C@@H](c2ccc(CO)cc2)C1 ZINC000616660830 365413794 /nfs/dbraw/zinc/41/37/94/365413794.db2.gz PIAGWNANVVQIGB-AWEZNQCLSA-N 1 0 250.342 0.553 10 0 CCAERO CC(=O)Nc1cccc([C@H]2CN(CC[NH3+])CCO2)c1 ZINC000616604202 365381679 /nfs/dbraw/zinc/38/16/79/365381679.db2.gz RVPPYDPSJNFVJP-CQSZACIVSA-N 1 0 263.341 0.977 10 0 CCAERO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CNC(=O)C2)C1 ZINC000616993743 365510885 /nfs/dbraw/zinc/51/08/85/365510885.db2.gz MLSBNZAHSUSLKT-MNOVXSKESA-N 1 0 267.373 0.359 10 0 CCAERO CN(C(=O)c1ccn(C)n1)[C@H](C[NH3+])C(F)(F)F ZINC000623076424 367444000 /nfs/dbraw/zinc/44/40/00/367444000.db2.gz MYMFLVYXTADZNB-SSDOTTSWSA-N 1 0 250.224 0.382 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(C(F)(F)F)cn1 ZINC000262123711 284002284 /nfs/dbraw/zinc/00/22/84/284002284.db2.gz GBEPRJOUJMZXSO-XCBNKYQSSA-N 1 0 289.257 0.411 10 0 CCAERO CCn1cc(O[C@@H]2C[N@H+](CCOC3CCC3)C[C@H]2O)cn1 ZINC000625615841 368270885 /nfs/dbraw/zinc/27/08/85/368270885.db2.gz VMOWSLLSGHYENC-HUUCEWRRSA-N 1 0 295.383 0.896 10 0 CCAERO CCCCOC[C@H](O)C[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000625973471 368381406 /nfs/dbraw/zinc/38/14/06/368381406.db2.gz PNEBECJJTFWTTB-KFWWJZLASA-N 1 0 289.416 0.477 10 0 CCAERO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@]1(O)CCSC1 ZINC000305709771 284055025 /nfs/dbraw/zinc/05/50/25/284055025.db2.gz JKXOYHSRUAMNQR-BXUZGUMPSA-N 1 0 284.425 0.988 10 0 CCAERO COC(=O)[C@@H]1CC[N@H+](CC2(O)CCOCC2)C[C@H]1C ZINC000408310896 284056909 /nfs/dbraw/zinc/05/69/09/284056909.db2.gz VZSQDAFARBHLDP-VXGBXAGGSA-N 1 0 271.357 0.659 10 0 CCAERO CCn1cc(O[C@@H]2C[N@H+](Cc3ccn(C)c3)C[C@H]2O)cn1 ZINC000628375578 369253719 /nfs/dbraw/zinc/25/37/19/369253719.db2.gz NDLMGUQTXAWNAL-HUUCEWRRSA-N 1 0 290.367 0.866 10 0 CCAERO O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCCN(CC(F)F)CC1 ZINC000188989487 296147507 /nfs/dbraw/zinc/14/75/07/296147507.db2.gz PUYAJGZUJWVJHG-VHSXEESVSA-N 1 0 279.306 0.486 10 0 CCAERO CO[C@H]1CN(C(=O)c2conc2C)[C@](C)(C[NH3+])C1 ZINC000630091108 369950096 /nfs/dbraw/zinc/95/00/96/369950096.db2.gz FKFFWDZLNFPNPO-SKDRFNHKSA-N 1 0 253.302 0.561 10 0 CCAERO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC1(CO)COC1 ZINC000176974318 284189223 /nfs/dbraw/zinc/18/92/23/284189223.db2.gz UWJNDQKWBIGZAY-AGIUHOORSA-N 1 0 283.368 0.801 10 0 CCAERO CCc1noc(CN2C[C@@H](OC)C[C@]2(C)C[NH3+])n1 ZINC000630358617 370061083 /nfs/dbraw/zinc/06/10/83/370061083.db2.gz AYEAPZLJANLEGN-JOYOIKCWSA-N 1 0 254.334 0.570 10 0 CCAERO CO[C@H]1CN(CC(=O)N2CCCCC2)[C@](C)(C[NH3+])C1 ZINC000630358860 370062156 /nfs/dbraw/zinc/06/21/56/370062156.db2.gz CKBURQGWAIDLIF-OCCSQVGLSA-N 1 0 269.389 0.437 10 0 CCAERO 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RWYANDLUBYLZFA-SMDDNHRTSA-N 1 0 263.341 0.968 10 0 CCAERO CO[C@H]1CN(C(=O)c2cnccc2C)[C@@](C)(C[NH3+])C1 ZINC000630375536 370077433 /nfs/dbraw/zinc/07/74/33/370077433.db2.gz RWYANDLUBYLZFA-BXUZGUMPSA-N 1 0 263.341 0.968 10 0 CCAERO CCCOc1nccnc1N(C)CCOCC[NH2+]C ZINC000630529521 370148515 /nfs/dbraw/zinc/14/85/15/370148515.db2.gz ZTISSZDQUBQFMZ-UHFFFAOYSA-N 1 0 268.361 0.938 10 0 CCAERO C[C@H]1CC[C@@H](Nc2nnnn2-c2ccccc2)C[NH2+]1 ZINC000630535571 370155301 /nfs/dbraw/zinc/15/53/01/370155301.db2.gz WOJAJCKZGNTKFZ-WDEREUQCSA-N 1 0 258.329 0.637 10 0 CCAERO CN(C(=O)[C@]12CCC[C@H]1C[NH2+]C2)[C@H]1C[C@@H](C(N)=O)C1 ZINC000634772281 372223293 /nfs/dbraw/zinc/22/32/93/372223293.db2.gz DOPGNORJZSFQDE-DYNIEEOBSA-N 1 0 265.357 0.098 10 0 CCAERO C[C@H](CC(=O)N1CCC[C@H]1C(N)=O)C1CC[NH2+]CC1 ZINC000237531822 189880449 /nfs/dbraw/zinc/88/04/49/189880449.db2.gz BLOPGBDIPGAROA-PWSUYJOCSA-N 1 0 267.373 0.489 10 0 CCAERO CNC(=O)[C@H]1CCCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634751679 372198722 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388794657 /nfs/dbraw/zinc/79/46/57/388794657.db2.gz BLWQHZMTOIHHOS-KGLIPLIRSA-N 1 0 290.367 0.341 10 0 CCAERO Cc1cc(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)[nH]n1 ZINC000285846098 388804293 /nfs/dbraw/zinc/80/42/93/388804293.db2.gz QBTHZBCNNCAXKP-RYUDHWBXSA-N 1 0 264.329 0.263 10 0 CCAERO CC[C@@H]1CN(C(=O)Cc2ccn(C)n2)CC[N@@H+]1CCOC ZINC000183626456 388760172 /nfs/dbraw/zinc/76/01/72/388760172.db2.gz XLYLHLYSTATJGL-CQSZACIVSA-N 1 0 294.399 0.532 10 0 CCAERO COC(=O)NC(C)(C)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000185044731 388782987 /nfs/dbraw/zinc/78/29/87/388782987.db2.gz RCAUPOMQDLVOIE-IVZWLZJFSA-N 1 0 269.345 0.317 10 0 CCAERO CCC[C@@H](C(=O)N1CCO[C@]2(CCOC2)C1)[NH+](C)C ZINC000186078472 388822747 /nfs/dbraw/zinc/82/27/47/388822747.db2.gz OWKDEDXEWKGUCZ-GXTWGEPZSA-N 1 0 270.373 0.735 10 0 CCAERO CN(CC(=O)Nc1ccccc1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000043710357 388869924 /nfs/dbraw/zinc/86/99/24/388869924.db2.gz JLOJXKMDKGCPLK-GFCCVEGCSA-N 1 0 277.324 0.072 10 0 CCAERO C[NH+](C)C[C@H](NC(=O)[C@H]1CCC(=O)NC1)c1ccccc1 ZINC000047859087 388883606 /nfs/dbraw/zinc/88/36/06/388883606.db2.gz FKSKXIPCMNKTPS-KBPBESRZSA-N 1 0 289.379 0.932 10 0 CCAERO CCOC(=O)C1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000050499315 388926609 /nfs/dbraw/zinc/92/66/09/388926609.db2.gz XBTZFFZGVNDMOI-LBPRGKRZSA-N 1 0 268.357 0.930 10 0 CCAERO CCCc1cc(N2CCO[C@H](C[NH3+])C2)n2nccc2n1 ZINC000072426999 388963896 /nfs/dbraw/zinc/96/38/96/388963896.db2.gz QBVGUIGWMDQQQG-GFCCVEGCSA-N 1 0 275.356 0.846 10 0 CCAERO COCC[N@@H+]1CCN(CCOCC(F)F)C[C@H]1C ZINC000189159967 388950293 /nfs/dbraw/zinc/95/02/93/388950293.db2.gz MUEVHUNIZJMSJO-LLVKDONJSA-N 1 0 266.332 0.921 10 0 CCAERO CN1CCN(C(=O)C2C[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000090035375 389019139 /nfs/dbraw/zinc/01/91/39/389019139.db2.gz ALALHPRIJMYYPF-CQSZACIVSA-N 1 0 259.353 0.721 10 0 CCAERO C[C@](O)(C[N@@H+]1CC[C@@H](N2CCOCC2)C1)C(F)(F)F ZINC000336816934 389024339 /nfs/dbraw/zinc/02/43/39/389024339.db2.gz NXOBQYFKQPBMRA-MNOVXSKESA-N 1 0 282.306 0.706 10 0 CCAERO CC[C@@H](O)C[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000106384943 389092650 /nfs/dbraw/zinc/09/26/50/389092650.db2.gz CBAAPXHQICEXCP-CYBMUJFWSA-N 1 0 267.373 0.826 10 0 CCAERO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3C[C@H]3C(=O)OC)[C@@H]2C1 ZINC000355353594 389065216 /nfs/dbraw/zinc/06/52/16/389065216.db2.gz XKJGTTCPTGYWKH-LPWJVIDDSA-N 1 0 296.367 0.117 10 0 CCAERO CCCCOC[C@H](O)C[N@@H+]1CCN(CCOC)[C@H](C)C1 ZINC000193378828 389068482 /nfs/dbraw/zinc/06/84/82/389068482.db2.gz VQKPQXUDOMQBQD-HUUCEWRRSA-N 1 0 288.432 0.817 10 0 CCAERO CCCCOC[C@H](O)C[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000193588555 389074000 /nfs/dbraw/zinc/07/40/00/389074000.db2.gz PGCCJENQZLNFEZ-IJLUTSLNSA-N 1 0 258.362 0.278 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000310562573 389097219 /nfs/dbraw/zinc/09/72/19/389097219.db2.gz KHRJNVKQLUGPBI-OPRDCNLKSA-N 1 0 262.375 0.052 10 0 CCAERO O=C(NCc1ccncc1)NCC1CC[NH+](CCO)CC1 ZINC000111785933 389114385 /nfs/dbraw/zinc/11/43/85/389114385.db2.gz 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C[C@H](C[NH3+])CCC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000076675257 177055783 /nfs/dbraw/zinc/05/57/83/177055783.db2.gz FRUMQQGTIFNZCO-UWVGGRQHSA-N 1 0 262.375 0.007 10 0 CCAERO C[C@@H]1CCCN(S(=O)(=O)[C@H]2CCCOC2)[C@H]1C[NH3+] ZINC000262002373 287358549 /nfs/dbraw/zinc/35/85/49/287358549.db2.gz GJIZSDUGIRSFEK-WOPDTQHZSA-N 1 0 276.402 0.554 10 0 CCAERO CS(=O)(=O)c1cnn(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000725242341 545874206 /nfs/dbraw/zinc/87/42/06/545874206.db2.gz VQBTWMRSIOABKN-FGWVZKOKSA-N 1 0 269.370 0.817 10 0 CCAERO CS(=O)(=O)c1cnn(CC2(C[NH3+])CCCC2)c1 ZINC000725242191 545873467 /nfs/dbraw/zinc/87/34/67/545873467.db2.gz LTIZAXCNVUEALS-UHFFFAOYSA-N 1 0 257.359 0.806 10 0 CCAERO Cc1cc(C(N)=[NH2+])cc(-n2cc(S(C)(=O)=O)cn2)n1 ZINC000725251362 545875860 /nfs/dbraw/zinc/87/58/60/545875860.db2.gz FJWPPMJTANAYGD-UHFFFAOYSA-N 1 0 279.325 0.263 10 0 CCAERO CS(=O)(=O)c1cnn(-c2cc(F)cc(C[NH3+])c2)c1 ZINC000725252329 545877304 /nfs/dbraw/zinc/87/73/04/545877304.db2.gz MDEUYRLZIQMULT-UHFFFAOYSA-N 1 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ZHEGOWURDBPGSI-ZJUUUORDSA-N 1 0 254.330 0.444 10 0 CCAERO CC[N@H+](CCO)[C@H]1CC(=O)N[C@@H](C(F)(F)F)C1 ZINC000725262995 545883718 /nfs/dbraw/zinc/88/37/18/545883718.db2.gz AAHUJZUPWXSGJT-HTQZYQBOSA-N 1 0 254.252 0.510 10 0 CCAERO CCOC(=O)Cn1nnc([C@H]2CCCCO2)c1C[NH3+] ZINC000725268861 545886558 /nfs/dbraw/zinc/88/65/58/545886558.db2.gz CWZFUCOAVOAEFK-SNVBAGLBSA-N 1 0 268.317 0.542 10 0 CCAERO CCS(=O)(=O)N1CCC2(CC1)C[NH2+]C[C@H](C)O2 ZINC000725272649 545888614 /nfs/dbraw/zinc/88/86/14/545888614.db2.gz SQLPTZXFWWECLB-JTQLQIEISA-N 1 0 262.375 0.179 10 0 CCAERO COC(=O)CCCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171897686 335083924 /nfs/dbraw/zinc/08/39/24/335083924.db2.gz ABHNEDCVMSRPQL-NSHDSACASA-N 1 0 269.345 0.429 10 0 CCAERO Nc1ccc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000043592668 544429762 /nfs/dbraw/zinc/42/97/62/544429762.db2.gz ABDZFUDVDGYVCL-LLVKDONJSA-N 1 0 299.371 0.877 10 0 CCAERO C[NH2+][C@H](C)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000054076417 544442273 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NC(=O)COc1ccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089452701 544513190 /nfs/dbraw/zinc/51/31/90/544513190.db2.gz QODOUMQWICUYJN-GXFFZTMASA-N 1 0 291.351 0.864 10 0 CCAERO NC(=O)COc1ccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089452704 544513608 /nfs/dbraw/zinc/51/36/08/544513608.db2.gz QODOUMQWICUYJN-GWCFXTLKSA-N 1 0 291.351 0.864 10 0 CCAERO CN(CC(=O)N1CCCC1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089457289 544514573 /nfs/dbraw/zinc/51/45/73/544514573.db2.gz YVJPZPNMKGFMOY-RYUDHWBXSA-N 1 0 267.373 0.442 10 0 CCAERO CC(C)C(=O)NCCNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089459393 544514723 /nfs/dbraw/zinc/51/47/23/544514723.db2.gz QULHHSZTCLEPRF-WDEREUQCSA-N 1 0 255.362 0.250 10 0 CCAERO NC(=O)c1cccc(CNC(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000089459780 544515059 /nfs/dbraw/zinc/51/50/59/544515059.db2.gz GRVIHRLUFDLJCK-STQMWFEESA-N 1 0 275.352 0.777 10 0 CCAERO CO[C@@H]1CN(CC(=O)Nc2cc(C)on2)[C@@](C)(C[NH3+])C1 ZINC000630361934 419464498 /nfs/dbraw/zinc/46/44/98/419464498.db2.gz 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CCc1ncnc(N2CCO[C@H]([C@@H](C)[NH3+])C2)c1F ZINC000234179306 544867900 /nfs/dbraw/zinc/86/79/00/544867900.db2.gz GAPZXMAYKQWJAK-SCZZXKLOSA-N 1 0 254.309 0.731 10 0 CCAERO Cc1cnn(CCNC(=O)C2CCC([NH3+])CC2)c1 ZINC000235936494 544876733 /nfs/dbraw/zinc/87/67/33/544876733.db2.gz VUHQLWBEVRVGHY-UHFFFAOYSA-N 1 0 250.346 0.825 10 0 CCAERO Cc1cnn(CCNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)c1 ZINC000235941219 544876854 /nfs/dbraw/zinc/87/68/54/544876854.db2.gz TVMZDESSLKBOBN-NSHDSACASA-N 1 0 290.289 0.850 10 0 CCAERO C[C@H](O)CN1CCN(C(=O)c2ccc(C[NH3+])o2)C[C@@H]1C ZINC000246240362 544909133 /nfs/dbraw/zinc/90/91/33/544909133.db2.gz ISRMJIAXYWEKDA-QWRGUYRKSA-N 1 0 281.356 0.265 10 0 CCAERO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000246742548 544911068 /nfs/dbraw/zinc/91/10/68/544911068.db2.gz ZEFNFLZQRSLFOF-SDDRHHMPSA-N 1 0 263.345 0.569 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000250683946 544923899 /nfs/dbraw/zinc/92/38/99/544923899.db2.gz 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CC(C)CN1CCN(C(=O)NC[C@@H]2CC[NH2+]C2)[C@@H](C)C1=O ZINC000333749790 545042692 /nfs/dbraw/zinc/04/26/92/545042692.db2.gz YVFVKPPZPOZDPT-QWHCGFSZSA-N 1 0 296.415 0.494 10 0 CCAERO C[C@H](CNC(=O)N[C@@H]1CCCC[NH2+]C1)N1CCOCC1 ZINC000333899469 545044403 /nfs/dbraw/zinc/04/44/03/545044403.db2.gz BICNXEKZKLSGBI-CHWSQXEVSA-N 1 0 284.404 0.148 10 0 CCAERO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC[C@](O)(C(N)=O)C2)C1 ZINC000319067217 545015920 /nfs/dbraw/zinc/01/59/20/545015920.db2.gz MUMKOSGQEVZTIU-VNHYZAJKSA-N 1 0 283.416 0.277 10 0 CCAERO CN1CCO[C@H](CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000332790060 545034121 /nfs/dbraw/zinc/03/41/21/545034121.db2.gz UXQOADBQVSRXKL-RDBSUJKOSA-N 1 0 296.415 0.243 10 0 CCAERO CC(C)N1CC[C@H](NC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C1=O ZINC000333143507 545038824 /nfs/dbraw/zinc/03/88/24/545038824.db2.gz DJFFWVRZFCWNHH-AVGNSLFASA-N 1 0 294.399 0.247 10 0 CCAERO C[C@@H]1OCC[C@@H]1NC(=O)NCC1(C)CC[NH2+]CC1 ZINC000333547947 545040190 /nfs/dbraw/zinc/04/01/90/545040190.db2.gz JZCJQKYVZNFWOD-QWRGUYRKSA-N 1 0 255.362 0.853 10 0 CCAERO CCC[C@@H](C(=O)NC1CN(C(=O)OC)C1)[NH+](C)C ZINC000179726645 260065459 /nfs/dbraw/zinc/06/54/59/260065459.db2.gz MOBXRZYTZHBDPO-JTQLQIEISA-N 1 0 257.334 0.284 10 0 CCAERO CC[C@H]1C[N@H+](C[C@H](O)CSC)CCN1CCOC ZINC000187878726 262145636 /nfs/dbraw/zinc/14/56/36/262145636.db2.gz QCARLSWMFALVNI-STQMWFEESA-N 1 0 276.446 0.753 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C1CN(C(C)=O)C1 ZINC000188538052 262312665 /nfs/dbraw/zinc/31/26/65/262312665.db2.gz LUAMQVZHFMFMKH-CYBMUJFWSA-N 1 0 267.373 0.407 10 0 CCAERO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000094564618 265247026 /nfs/dbraw/zinc/24/70/26/265247026.db2.gz COJVKDOUKVOTLI-UTUOFQBUSA-N 1 0 284.356 0.294 10 0 CCAERO C[C@@H](Cn1cccn1)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000094647530 265248944 /nfs/dbraw/zinc/24/89/44/265248944.db2.gz JTXPIUCSYOCEJF-QJPTWQEYSA-N 1 0 250.346 0.776 10 0 CCAERO C[C@@H](O)C[N@@H+]1CCN(CCn2ccnc2)C[C@@H]1C ZINC000161667840 274269083 /nfs/dbraw/zinc/26/90/83/274269083.db2.gz ORFPGBUNHMRHPY-QWHCGFSZSA-N 1 0 252.362 0.270 10 0 CCAERO c1cnn(-c2cncc(N3CC[C@H]4[NH2+]CC[C@@H]4C3)n2)c1 ZINC000333921690 275074135 /nfs/dbraw/zinc/07/41/35/275074135.db2.gz QWCOEEQJHLBDRI-VXGBXAGGSA-N 1 0 270.340 0.851 10 0 CCAERO c1cnn(-c2cncc(N3CC[C@@H]4[NH2+]CC[C@@H]4C3)n2)c1 ZINC000333921687 275074173 /nfs/dbraw/zinc/07/41/73/275074173.db2.gz QWCOEEQJHLBDRI-NEPJUHHUSA-N 1 0 270.340 0.851 10 0 CCAERO CCOCC[N@@H+]1CCN(C[C@H](O)C(F)(F)F)C[C@@H]1C ZINC000158235628 276322536 /nfs/dbraw/zinc/32/25/36/276322536.db2.gz GZUAAGWHTUBJRC-QWRGUYRKSA-N 1 0 284.322 0.952 10 0 CCAERO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2CC[S@@](=O)C2)C1 ZINC000408309405 276337424 /nfs/dbraw/zinc/33/74/24/276337424.db2.gz MMODFQNROHSBOG-AVCJSFLBSA-N 1 0 287.429 0.633 10 0 CCAERO C[NH+](C)C[C@H]1CN(C(=O)CC2(O)CCCC2)CCO1 ZINC000174923706 276804316 /nfs/dbraw/zinc/80/43/16/276804316.db2.gz HOKNPUNYBMZYAO-LBPRGKRZSA-N 1 0 270.373 0.471 10 0 CCAERO C[NH2+][C@H](C(=O)N1CCO[C@@H]2CCCC[C@H]21)c1cnn(C)c1 ZINC000262295536 277040214 /nfs/dbraw/zinc/04/02/14/277040214.db2.gz ZEHFPBAVCRIVNC-MCIONIFRSA-N 1 0 292.383 0.851 10 0 CCAERO CN1CCC[N@@H+]([C@@H]2Cc3ccccc3[C@H]2O)CC1=O ZINC000248796210 277052312 /nfs/dbraw/zinc/05/23/12/277052312.db2.gz FFKCSTVCALRTET-UKRRQHHQSA-N 1 0 260.337 0.809 10 0 CCAERO CN1CC[NH+]([C@@H]2CCCCN(C(=O)[C@@H]3CCOC3)C2)CC1 ZINC000173282272 277110812 /nfs/dbraw/zinc/11/08/12/277110812.db2.gz VEJVMBHMAJFNDK-HUUCEWRRSA-N 1 0 295.427 0.651 10 0 CCAERO C[N@@H+]1CCO[C@H]2CN(c3nc4ccccc4c(=O)[nH]3)C[C@H]21 ZINC000301635006 277132018 /nfs/dbraw/zinc/13/20/18/277132018.db2.gz DRXXSGMKZUWIBC-OLZOCXBDSA-N 1 0 286.335 0.855 10 0 CCAERO CC(C)(C)OC(=O)N1CCO[C@]2(CO[C@@H](C[NH3+])C2)C1 ZINC000091303538 277190039 /nfs/dbraw/zinc/19/00/39/277190039.db2.gz MECDCDBYHFJSDY-MFKMUULPSA-N 1 0 272.345 0.740 10 0 CCAERO CN1C[C@H](NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CCC1=O ZINC000247363531 277203191 /nfs/dbraw/zinc/20/31/91/277203191.db2.gz MRTFMCWWBKJQJC-OLZOCXBDSA-N 1 0 294.399 0.487 10 0 CCAERO CC(C)(C)n1ncnc1CNC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333827399 277292395 /nfs/dbraw/zinc/29/23/95/277292395.db2.gz SDZQSWAGNWKFRH-LLVKDONJSA-N 1 0 294.403 0.974 10 0 CCAERO CO[C@H]1C[C@@H](C(=O)N2CCC[C@]3(CNC(=O)C3)C2)[N@H+](C)C1 ZINC000328980675 277346249 /nfs/dbraw/zinc/34/62/49/277346249.db2.gz RLQDNDUYGKSDTL-HUBLWGQQSA-N 1 0 295.383 0.675 10 0 CCAERO C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000176044228 277687396 /nfs/dbraw/zinc/68/73/96/277687396.db2.gz IJPLWEOFILZAMX-FRRDWIJNSA-N 1 0 281.400 0.879 10 0 CCAERO CC(C)[C@H](C(=O)N1CCO[C@H](CO)C1)[NH+]1CCCCC1 ZINC000408371245 277862863 /nfs/dbraw/zinc/86/28/63/277862863.db2.gz AACIDPOSVDTGLJ-UONOGXRCSA-N 1 0 284.400 0.717 10 0 CCAERO CC(C)c1nc2c(n1C)CCN(C(=O)N[C@@H]1CC[NH2+]C1)C2 ZINC000333676001 278074478 /nfs/dbraw/zinc/07/44/78/278074478.db2.gz NYCNGLQVLFDAKO-LLVKDONJSA-N 1 0 291.399 0.973 10 0 CCAERO C[C@H](C(F)(F)F)S(=O)(=O)N1CCC[C@H]([NH3+])C1 ZINC000334972473 278159176 /nfs/dbraw/zinc/15/91/76/278159176.db2.gz LYCJELAKNJHIQK-RQJHMYQMSA-N 1 0 260.281 0.690 10 0 CCAERO CC(=O)N[C@H](C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113228040 278164234 /nfs/dbraw/zinc/16/42/34/278164234.db2.gz NUAXCZGJIXRMBU-HOSYDEDBSA-N 1 0 253.346 0.206 10 0 CCAERO CC1(C)CN(C(=O)CN2CCCCCC2=O)CC[C@@H]1[NH3+] ZINC000262088413 278298542 /nfs/dbraw/zinc/29/85/42/278298542.db2.gz UGPLIJIZHRCQJG-LBPRGKRZSA-N 1 0 281.400 0.975 10 0 CCAERO CC1(C)CN(C(=O)N[C@@H]2CCO[C@@H]2C2CC2)CC[NH2+]1 ZINC000333494627 278305422 /nfs/dbraw/zinc/30/54/22/278305422.db2.gz CSCYZOSTBPPMNI-VXGBXAGGSA-N 1 0 267.373 0.947 10 0 CCAERO CC(C)(C)NC(=O)NC(=O)CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261627226 278364627 /nfs/dbraw/zinc/36/46/27/278364627.db2.gz AWVUFCZGHGUBDP-JTQLQIEISA-N 1 0 284.404 0.670 10 0 CCAERO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2ncc[nH]2)CC1 ZINC000171929633 278395730 /nfs/dbraw/zinc/39/57/30/278395730.db2.gz KJVLUAZFMMJXIG-GFCCVEGCSA-N 1 0 266.389 0.934 10 0 CCAERO Cc1c(Cl)c(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)nn1C ZINC000335384903 278596753 /nfs/dbraw/zinc/59/67/53/278596753.db2.gz HPFXWPFIXQZKLD-XPUUQOCRSA-N 1 0 256.737 0.801 10 0 CCAERO Cc1cc(C)c(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c(C)c1 ZINC000335162136 278659472 /nfs/dbraw/zinc/65/94/72/278659472.db2.gz OZDSSONXKYJSKX-QWHCGFSZSA-N 1 0 262.353 0.922 10 0 CCAERO CC[N@H+](C)CCNS(=O)(=O)N1CCCCCC1 ZINC000068960726 279033022 /nfs/dbraw/zinc/03/30/22/279033022.db2.gz VSKPYSJKBATGAY-UHFFFAOYSA-N 1 0 263.407 0.649 10 0 CCAERO CCN(C)S(=O)(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000173515737 279041577 /nfs/dbraw/zinc/04/15/77/279041577.db2.gz RCVNTCFAZNAVTJ-QWRGUYRKSA-N 1 0 263.407 0.501 10 0 CCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)[C@@H](C)CO ZINC000130254220 279122570 /nfs/dbraw/zinc/12/25/70/279122570.db2.gz GTDULFOOGLRIGJ-NWDGAFQWSA-N 1 0 259.394 0.985 10 0 CCAERO CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2COCCN2)C1 ZINC000236901467 279123868 /nfs/dbraw/zinc/12/38/68/279123868.db2.gz GARQZUBMXLKJGE-QWHCGFSZSA-N 1 0 269.389 0.165 10 0 CCAERO Cc1nc2ccc(N3CCC4(CC[NH2+]4)CC3)nn2n1 ZINC000333223625 279124950 /nfs/dbraw/zinc/12/49/50/279124950.db2.gz AMIGPULUBGHUED-UHFFFAOYSA-N 1 0 258.329 0.765 10 0 CCAERO Cc1nccnc1S(=O)(=O)N1CCCC[C@@H]1C[NH3+] ZINC000095068762 279175369 /nfs/dbraw/zinc/17/53/69/279175369.db2.gz GBBCQFNRKTWJCI-SNVBAGLBSA-N 1 0 270.358 0.287 10 0 CCAERO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1cn[nH]n1 ZINC000186318868 279305627 /nfs/dbraw/zinc/30/56/27/279305627.db2.gz ICJIKUZHXIVFIM-SNVBAGLBSA-N 1 0 251.334 0.799 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCNC(=O)[C@H]2C)C1 ZINC000247774586 279319243 /nfs/dbraw/zinc/31/92/43/279319243.db2.gz QDYRGQMKLXELMU-MNOVXSKESA-N 1 0 268.361 0.001 10 0 CCAERO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000177225814 279344444 /nfs/dbraw/zinc/34/44/44/279344444.db2.gz WKXNAVWDGGKKNF-ILXRZTDVSA-N 1 0 297.443 0.894 10 0 CCAERO [NH3+]Cc1cc(=O)cc(I)[nH]1 ZINC000095766630 279657986 /nfs/dbraw/zinc/65/79/86/279657986.db2.gz KWMMCECQFPKRDQ-UHFFFAOYSA-N 1 0 250.039 0.438 10 0 CCAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CC[C@@H](N3CCOCC3)C2)C1 ZINC000227796143 279678129 /nfs/dbraw/zinc/67/81/29/279678129.db2.gz VZCUIVAZLHTUCX-JHJVBQTASA-N 1 0 267.373 0.047 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CN(C)CCO1 ZINC000245464188 288304274 /nfs/dbraw/zinc/30/42/74/288304274.db2.gz PFFKLEVJAVOEOD-JHJVBQTASA-N 1 0 267.373 0.012 10 0 CCAERO C[C@@H]1COCCN1CCN1CCC[N@@H+](C2CC2)CC1 ZINC000192703930 288342847 /nfs/dbraw/zinc/34/28/47/288342847.db2.gz NEMONHHUDBIFAF-CQSZACIVSA-N 1 0 267.417 0.877 10 0 CCAERO CN(C(=O)NC1CCC(C)(C)CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333439759 281758623 /nfs/dbraw/zinc/75/86/23/281758623.db2.gz VXYQCNGEVKDQMZ-RYUDHWBXSA-N 1 0 269.389 0.929 10 0 CCAERO Cc1nc2ccc(N3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)nn2n1 ZINC000333929966 282064852 /nfs/dbraw/zinc/06/48/52/282064852.db2.gz YSMUPEZIPMFDQZ-AXFHLTTASA-N 1 0 258.329 0.606 10 0 CCAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCO[C@@]3(CCOC3)C2)C1 ZINC000342032671 289325928 /nfs/dbraw/zinc/32/59/28/289325928.db2.gz AFCYBVQSJCFFTC-GUTXKFCHSA-N 1 0 297.399 0.670 10 0 CCAERO C[C@H](C(=O)NC(=O)NC1CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000172803941 289332485 /nfs/dbraw/zinc/33/24/85/289332485.db2.gz SHZSYGWEECHBRC-DGCLKSJQSA-N 1 0 294.399 0.533 10 0 CCAERO C[C@H](O)C(=O)N1CC[NH+](CC2(O)CCC(C)CC2)CC1 ZINC000305751864 290065532 /nfs/dbraw/zinc/06/55/32/290065532.db2.gz ZXQOEWOIOJKUNC-OWYJLGKBSA-N 1 0 284.400 0.453 10 0 CCAERO CNC(=O)CC(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000185417158 290367589 /nfs/dbraw/zinc/36/75/89/290367589.db2.gz HTFNKRIGUDBJGM-LLVKDONJSA-N 1 0 255.362 0.503 10 0 CCAERO C[C@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)[C@H]1C ZINC000262031948 290557925 /nfs/dbraw/zinc/55/79/25/290557925.db2.gz XQLNYRYYHFSWBN-VTPLQMEGSA-N 1 0 276.384 0.980 10 0 CCAERO COC[C@H]([NH3+])C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000376119877 293118741 /nfs/dbraw/zinc/11/87/41/293118741.db2.gz WYZDHWMYKRRNCD-YFKTTZPYSA-N 1 0 268.357 0.424 10 0 CCAERO C[C@@H]1CN(CCN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CCO1 ZINC000192740794 297005115 /nfs/dbraw/zinc/00/51/15/297005115.db2.gz MFGCCQBYNLZCKZ-RRFJBIMHSA-N 1 0 267.417 0.876 10 0 CCAERO COc1ccc(C[NH2+][C@@H]2CCCN(CCO)C2)cn1 ZINC000384585194 545085286 /nfs/dbraw/zinc/08/52/86/545085286.db2.gz OHCLQDPQHRGTJC-CYBMUJFWSA-N 1 0 265.357 0.637 10 0 CCAERO Cn1ccc(NC(=O)[C@@H]2CCCN2C2CC[NH2+]CC2)n1 ZINC000038043277 294358465 /nfs/dbraw/zinc/35/84/65/294358465.db2.gz AFAZVQTYOKWFGQ-LBPRGKRZSA-N 1 0 277.372 0.575 10 0 CCAERO NC(=O)[C@@H]1COCCN1CCC[NH+]1CCCCC1 ZINC000162208013 295121077 /nfs/dbraw/zinc/12/10/77/295121077.db2.gz ROLDCMGPWXIZKF-LBPRGKRZSA-N 1 0 255.362 0.049 10 0 CCAERO [NH3+]C1CCC(NS(=O)(=O)[C@@H]2CCCOC2)CC1 ZINC000262117308 295212465 /nfs/dbraw/zinc/21/24/65/295212465.db2.gz VHAAILXPMLPHBS-VQXHTEKXSA-N 1 0 262.375 0.355 10 0 CCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000261625959 295271386 /nfs/dbraw/zinc/27/13/86/295271386.db2.gz BGYOAZGZAAGCSL-LPWJVIDDSA-N 1 0 279.384 0.631 10 0 CCAERO NS(=O)(=O)CCC[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000187779535 295282013 /nfs/dbraw/zinc/28/20/13/295282013.db2.gz KDJQEPUYVYJOFA-NWDGAFQWSA-N 1 0 286.401 0.635 10 0 CCAERO [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000220657706 295297795 /nfs/dbraw/zinc/29/77/95/295297795.db2.gz PPIASZKJHRQASX-RBSFLKMASA-N 1 0 295.427 0.827 10 0 CCAERO [NH3+][C@@H]1CCCC[C@H]1CC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000220657830 295298741 /nfs/dbraw/zinc/29/87/41/295298741.db2.gz PPIASZKJHRQASX-RRFJBIMHSA-N 1 0 295.427 0.827 10 0 CCAERO C[C@H](CC(=O)N(C)C)[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000312054595 298282149 /nfs/dbraw/zinc/28/21/49/298282149.db2.gz DQRRKUJEAHLCNX-DYEKYZERSA-N 1 0 270.373 0.781 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1(O)CCOCC1 ZINC000330003896 300317742 /nfs/dbraw/zinc/31/77/42/300317742.db2.gz CDGUHKOWNFXBEF-RYUDHWBXSA-N 1 0 268.357 0.223 10 0 CCAERO Cc1n[nH]cc1S(=O)(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261550168 300905114 /nfs/dbraw/zinc/90/51/14/300905114.db2.gz MFKVODVGMQIEGI-WPRPVWTQSA-N 1 0 272.374 0.466 10 0 CCAERO NC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000262625455 303278589 /nfs/dbraw/zinc/27/85/89/303278589.db2.gz RXMDNODZJSIXBG-DCAQKATOSA-N 1 0 268.361 0.163 10 0 CCAERO NC(=O)c1cccc(S(=O)(=O)N[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000238019368 303407308 /nfs/dbraw/zinc/40/73/08/303407308.db2.gz GQJDARMASCEOEY-JQWIXIFHSA-N 1 0 297.380 0.191 10 0 CCAERO C[NH+](C)[C@H]1CCN(S(=O)(=O)N2CCCCCC2)C1 ZINC000170873619 327668532 /nfs/dbraw/zinc/66/85/32/327668532.db2.gz SCVGAIYKYAUXJP-LBPRGKRZSA-N 1 0 275.418 0.743 10 0 CCAERO C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H]2CCCOC2)C1 ZINC000170832751 327748199 /nfs/dbraw/zinc/74/81/99/327748199.db2.gz RQICMCWRYPULMC-NWDGAFQWSA-N 1 0 255.362 0.759 10 0 CCAERO O=C(NCCCCn1ccnc1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000566171481 327155345 /nfs/dbraw/zinc/15/53/45/327155345.db2.gz JZZCIHZXEPFJCG-WDEREUQCSA-N 1 0 254.309 0.480 10 0 CCAERO CCCCOC[C@H](O)C[NH2+]CC1([S@](C)=O)CC1 ZINC000380163711 327590912 /nfs/dbraw/zinc/59/09/12/327590912.db2.gz DDNLKJVBVATRRM-DIFFPNOSSA-N 1 0 263.403 0.665 10 0 CCAERO O=C([C@H]1CC(F)(F)CN1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000582603335 329114531 /nfs/dbraw/zinc/11/45/31/329114531.db2.gz VFUDASBTBMCCPL-WDEREUQCSA-N 1 0 273.327 0.680 10 0 CCAERO CC(C)c1nc2n(n1)C[C@H](NC(=O)C[NH2+]C1CC1)CC2 ZINC000182487497 335823545 /nfs/dbraw/zinc/82/35/45/335823545.db2.gz BSJBFGDZRSOBGD-LLVKDONJSA-N 1 0 277.372 0.585 10 0 CCAERO COc1cc(OC)nc(N[C@@H]2CC[C@@H](C[NH3+])C2)n1 ZINC000382461882 336090937 /nfs/dbraw/zinc/09/09/37/336090937.db2.gz WWVQULHNLNZWBQ-RKDXNWHRSA-N 1 0 252.318 0.455 10 0 CCAERO C[C@H]1[C@H](O)CCC[N@@H+]1CC(=O)NC(=O)NC1CCCC1 ZINC000384853638 336133051 /nfs/dbraw/zinc/13/30/51/336133051.db2.gz CAWZYMZKLKJWLB-CMPLNLGQSA-N 1 0 283.372 0.600 10 0 CCAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2nc3ccccc3[nH]2)C1 ZINC000386868463 336181095 /nfs/dbraw/zinc/18/10/95/336181095.db2.gz SETMGANJQXXNFZ-LDYMZIIASA-N 1 0 260.297 0.878 10 0 CCAERO CC[NH2+]C(C)(C)C(=O)N1CCCC[C@@H]1C(=O)OC ZINC000061294595 519903903 /nfs/dbraw/zinc/90/39/03/519903903.db2.gz FGIGECPVPYYLLA-SNVBAGLBSA-N 1 0 256.346 0.929 10 0 CCAERO CC[NH2+]C(C)(C)C(=O)NCCCN(CC)S(C)(=O)=O ZINC000061296952 519904903 /nfs/dbraw/zinc/90/49/03/519904903.db2.gz SZFFENVEOKNWKT-UHFFFAOYSA-N 1 0 293.433 0.162 10 0 CCAERO CC[NH2+]CC[C@@H](C)N1CCN(c2ncccn2)CC1 ZINC000052418513 519928319 /nfs/dbraw/zinc/92/83/19/519928319.db2.gz JRZMCDVPQWVQQB-CYBMUJFWSA-N 1 0 263.389 0.987 10 0 CCAERO CCCCOCCN(CC(N)=O)C1CC[NH2+]CC1 ZINC000049264105 520759830 /nfs/dbraw/zinc/75/98/30/520759830.db2.gz YIPYVYRKAAVPOP-UHFFFAOYSA-N 1 0 257.378 0.342 10 0 CCAERO CCN(CC)S(=O)(=O)NCc1ccccc1C[NH3+] ZINC000061841323 520779290 /nfs/dbraw/zinc/77/92/90/520779290.db2.gz OCIHLNKNNWXHLN-UHFFFAOYSA-N 1 0 271.386 0.822 10 0 CCAERO CCN(C)c1ccc(CNC[C@H]2C[NH2+]C[C@H]2O)cn1 ZINC000263184949 535764134 /nfs/dbraw/zinc/76/41/34/535764134.db2.gz HEPICUSHYZIBNZ-QWHCGFSZSA-N 1 0 264.373 0.208 10 0 CCAERO [NH3+][C@@H]1CCCN(Cc2nc(-c3cnccn3)no2)C1 ZINC000045893573 518197650 /nfs/dbraw/zinc/19/76/50/518197650.db2.gz NBSPJPDEIJAOCE-SECBINFHSA-N 1 0 260.301 0.450 10 0 CCAERO CC(C)CCNC(=O)C[NH2+]CCCS(C)(=O)=O ZINC000049284063 519655818 /nfs/dbraw/zinc/65/58/18/519655818.db2.gz WOLKWCVUSNWNQW-UHFFFAOYSA-N 1 0 264.391 0.173 10 0 CCAERO CC(C)CN(CC(N)=O)Cc1cccnc1C[NH3+] ZINC000061656846 519714339 /nfs/dbraw/zinc/71/43/39/519714339.db2.gz GRJBMBSSQSMHKM-UHFFFAOYSA-N 1 0 250.346 0.484 10 0 CCAERO CC(C)C[NH2+]CC[C@@H](C)N1CCS(=O)(=O)CC1 ZINC000052480430 519744276 /nfs/dbraw/zinc/74/42/76/519744276.db2.gz HLYCVRFNVLMWSX-GFCCVEGCSA-N 1 0 262.419 0.741 10 0 CCAERO CCCNC(=O)CCNC(=O)[C@@H]1CCC[C@@H](C)[C@@H]1[NH3+] ZINC000055141233 519871893 /nfs/dbraw/zinc/87/18/93/519871893.db2.gz ALWSSWHDKVVWAI-WZRBSPASSA-N 1 0 269.389 0.782 10 0 CCAERO CCCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H](CO)C1 ZINC000363478707 519884658 /nfs/dbraw/zinc/88/46/58/519884658.db2.gz BQSSWLXOYTVXBO-LLVKDONJSA-N 1 0 271.361 0.317 10 0 CCAERO CC[NH2+]C(C)(C)C(=O)N(CCO)CC(F)(F)F ZINC000061296768 519904092 /nfs/dbraw/zinc/90/40/92/519904092.db2.gz IBOVCMDEHLJAAV-UHFFFAOYSA-N 1 0 256.268 0.758 10 0 CCAERO CCN(C(=O)C[NH2+][C@H]1CN2CCC1CC2)C1CC1 ZINC000049292596 519916398 /nfs/dbraw/zinc/91/63/98/519916398.db2.gz AJTHVUUHWGBCTK-ZDUSSCGKSA-N 1 0 251.374 0.681 10 0 CCAERO CC[NH2+][C@@H](C)CC(=O)N(CC(N)=O)C1CCCC1 ZINC000061272330 520059974 /nfs/dbraw/zinc/05/99/74/520059974.db2.gz DAJZXPZNVYXANP-JTQLQIEISA-N 1 0 255.362 0.631 10 0 CCAERO CCN[C@H](CN1CCC[C@@H]1C[NH+](C)C)C(=O)OC ZINC000061652920 520197593 /nfs/dbraw/zinc/19/75/93/520197593.db2.gz DURALUHCIBLXKL-VXGBXAGGSA-N 1 0 257.378 0.164 10 0 CCAERO CCCO[C@H]1CCC[N@H+](CC[C@H](N)C(=O)OC)C1 ZINC000062526922 520284430 /nfs/dbraw/zinc/28/44/30/520284430.db2.gz PWNMAYIGLQRGNL-RYUDHWBXSA-N 1 0 258.362 0.768 10 0 CCAERO CCN(CC(=O)N(C)C)C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000055128493 520298573 /nfs/dbraw/zinc/29/85/73/520298573.db2.gz QQSKTMRSIXGOTE-NEPJUHHUSA-N 1 0 269.389 0.831 10 0 CCAERO CCN(CC)C(=O)CS(=O)(=O)C[C@@H]1CCC[NH2+]C1 ZINC000058259198 520492017 /nfs/dbraw/zinc/49/20/17/520492017.db2.gz WPOFAIYUBUCIOB-LLVKDONJSA-N 1 0 276.402 0.269 10 0 CCAERO CCCCNC(=O)C[NH2+]CCC(=O)N[C@@H](C)CC ZINC000049280251 520619726 /nfs/dbraw/zinc/61/97/26/520619726.db2.gz HQPCRZGPZBPUPJ-NSHDSACASA-N 1 0 257.378 0.797 10 0 CCAERO CCC[C@@H](C[NH3+])NS(=O)(=O)c1cn(CC)c(C)n1 ZINC000050265213 520705985 /nfs/dbraw/zinc/70/59/85/520705985.db2.gz PMSAXEHGDMVBFH-JTQLQIEISA-N 1 0 274.390 0.617 10 0 CCAERO CCOC(=O)CNC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000194473636 520788467 /nfs/dbraw/zinc/78/84/67/520788467.db2.gz YCMAMOWMHHNIAL-LBPRGKRZSA-N 1 0 270.373 0.640 10 0 CCAERO O=C(CN1CSCC1=O)Nc1cccc2c1C[NH2+]CC2 ZINC000367506594 534554051 /nfs/dbraw/zinc/55/40/51/534554051.db2.gz FUQFRVFYOKMVJK-UHFFFAOYSA-N 1 0 291.376 0.804 10 0 CCAERO CCS(=O)(=O)CCOc1ccc2c(c1)OC[C@H]2[NH3+] ZINC000062803646 521645224 /nfs/dbraw/zinc/64/52/24/521645224.db2.gz YEEDXKKKIQISRU-LLVKDONJSA-N 1 0 271.338 0.892 10 0 CCAERO CCOC1CC[NH+](CC[C@@H](NC2CC2)C(N)=O)CC1 ZINC000062453429 521655814 /nfs/dbraw/zinc/65/58/14/521655814.db2.gz RLTMIGLDJTTZFD-CYBMUJFWSA-N 1 0 269.389 0.483 10 0 CCAERO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)c1ccnc(N)c1 ZINC000061655939 521840556 /nfs/dbraw/zinc/84/05/56/521840556.db2.gz CRELNRDACJQMDQ-JTQLQIEISA-N 1 0 284.385 0.379 10 0 CCAERO C[NH+](C)C[C@H]1CCCN1C(=O)Cc1csc(N)n1 ZINC000061644782 521862195 /nfs/dbraw/zinc/86/21/95/521862195.db2.gz CGKJNVGSWRASOE-SNVBAGLBSA-N 1 0 268.386 0.820 10 0 CCAERO C[NH2+]C(C)(C)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000061318362 521936977 /nfs/dbraw/zinc/93/69/77/521936977.db2.gz WESHTMDEXJBTSP-SNVBAGLBSA-N 1 0 264.325 0.941 10 0 CCAERO CC[C@@H](C)[NH+]1CCN(C[C@]2(CO)CCOC2)CC1 ZINC000055072925 522123467 /nfs/dbraw/zinc/12/34/67/522123467.db2.gz JJAUBZBGXOHVKJ-KGLIPLIRSA-N 1 0 256.390 0.802 10 0 CCAERO C[N@@H+](CC(=O)N1CCC[C@@H](C(N)=O)C1)CC1CCOCC1 ZINC000155809897 522433976 /nfs/dbraw/zinc/43/39/76/522433976.db2.gz SYRSQDKZTJVKDA-CYBMUJFWSA-N 1 0 297.399 0.069 10 0 CCAERO CC[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@@H]1O)c1cccs1 ZINC000049530599 522722503 /nfs/dbraw/zinc/72/25/03/522722503.db2.gz JFJNJBPTBPWDAY-AEJSXWLSSA-N 1 0 275.395 0.947 10 0 CCAERO COCC(=O)Nc1cccc(NC(=O)[C@@H](C)C[NH3+])c1 ZINC000054339154 522788202 /nfs/dbraw/zinc/78/82/02/522788202.db2.gz CTVSORIQSOVZAV-VIFPVBQESA-N 1 0 265.313 0.805 10 0 CCAERO CC[C@H]1CN(C(=O)[C@@H]2CC[C@H](C)O2)CC[N@@H+]1C[C@@H](C)O ZINC000157611263 523247262 /nfs/dbraw/zinc/24/72/62/523247262.db2.gz WQBMQVGKKVWOJW-RFGFWPKPSA-N 1 0 284.400 0.858 10 0 CCAERO CC[C@](C)(C[NH+]1CCN(CC[NH+](C)C)CC1)C(=O)[O-] ZINC000061653929 523463523 /nfs/dbraw/zinc/46/35/23/523463523.db2.gz MRXWBBKEIZDCDM-CQSZACIVSA-N 1 0 271.405 0.667 10 0 CCAERO COCCC[C@@H](C[NH2+]CCOC)[C@H]1CCS(=O)(=O)C1 ZINC000054639400 523468502 /nfs/dbraw/zinc/46/85/02/523468502.db2.gz FBABGKFPWXOXQO-STQMWFEESA-N 1 0 293.429 0.700 10 0 CCAERO COC(=O)[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000050512315 523615143 /nfs/dbraw/zinc/61/51/43/523615143.db2.gz RURAIURNVQDYHJ-RYUDHWBXSA-N 1 0 262.309 0.769 10 0 CCAERO CO[C@@H]1CC[C@H]2OCC[N@H+](CCOCCO)[C@@H]2C1 ZINC000157921952 523724717 /nfs/dbraw/zinc/72/47/17/523724717.db2.gz JCUQMMRWAPTZNK-JHJVBQTASA-N 1 0 259.346 0.264 10 0 CCAERO CN(C(=O)CC[C@@H]1CCCC[NH2+]1)[C@H]1CCS(=O)(=O)C1 ZINC000050943160 523808386 /nfs/dbraw/zinc/80/83/86/523808386.db2.gz BTZMDMBMHRCIOA-RYUDHWBXSA-N 1 0 288.413 0.554 10 0 CCAERO C[C@H]1CCN(C[C@@H]2CCS(=O)(=O)C2)CCC[NH2+]1 ZINC000050604588 524290651 /nfs/dbraw/zinc/29/06/51/524290651.db2.gz WPHVYEWNAMCGRP-RYUDHWBXSA-N 1 0 260.403 0.495 10 0 CCAERO C[C@H]1CC[C@H](C(=O)N2CCC(CO)CC2)C[C@@H]1[NH3+] ZINC000055124911 524379615 /nfs/dbraw/zinc/37/96/15/524379615.db2.gz QWQNSUXZWREASE-DRZSPHRISA-N 1 0 254.374 0.981 10 0 CCAERO C[C@H](CNS(=O)(=O)c1c[nH]nc1N)C[NH+]1CCCC1 ZINC000062069437 524492027 /nfs/dbraw/zinc/49/20/27/524492027.db2.gz RATROLHYPBEYRF-SECBINFHSA-N 1 0 287.389 0.002 10 0 CCAERO C[C@H](Cn1ccnc1)[NH2+]CC(=O)NCC(F)(F)F ZINC000049309938 524792277 /nfs/dbraw/zinc/79/22/77/524792277.db2.gz QBPMHNGNRSVBEA-MRVPVSSYSA-N 1 0 264.251 0.540 10 0 CCAERO C[C@@H](Cc1ccccc1)NC(=O)CN1CC[NH2+]CC1 ZINC000062188947 524912693 /nfs/dbraw/zinc/91/26/93/524912693.db2.gz BEXIZWLKPOICJR-ZDUSSCGKSA-N 1 0 261.369 0.639 10 0 CCAERO Cc1cc(N2CC[NH+](CCO)CC2)ccc1CO ZINC000050582851 525081392 /nfs/dbraw/zinc/08/13/92/525081392.db2.gz SFXWYKAOCGZFMK-UHFFFAOYSA-N 1 0 250.342 0.602 10 0 CCAERO C[C@@H]1COCCN1S(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000049631116 525129497 /nfs/dbraw/zinc/12/94/97/525129497.db2.gz WICISYZBOQVFJS-MNOVXSKESA-N 1 0 262.375 0.179 10 0 CCAERO C[C@@H](NC(=O)N1CCO[C@H](C[NH+](C)C)C1)C1CCOCC1 ZINC000151318617 525174166 /nfs/dbraw/zinc/17/41/66/525174166.db2.gz CJVPOOPAPAFOCZ-TZMCWYRMSA-N 1 0 299.415 0.774 10 0 CCAERO C[C@@H]1C[C@H](C)CN(CC[NH2+]CCS(C)(=O)=O)C1 ZINC000049574254 525383856 /nfs/dbraw/zinc/38/38/56/525383856.db2.gz VHVWXTDQIZEJSV-TXEJJXNPSA-N 1 0 262.419 0.599 10 0 CCAERO C[C@@H]([NH2+]CC(=O)NC(=O)NCc1ccco1)[C@H]1CCCO1 ZINC000183148172 525408073 /nfs/dbraw/zinc/40/80/73/525408073.db2.gz NVWDVCKAEZSWRB-ZYHUDNBSSA-N 1 0 295.339 0.763 10 0 CCAERO Cc1cc(SCCC[C@@](C)([NH3+])C(N)=O)n(C)n1 ZINC000052312137 525435806 /nfs/dbraw/zinc/43/58/06/525435806.db2.gz LDPTXXHIZQONOY-LLVKDONJSA-N 1 0 256.375 0.804 10 0 CCAERO C[C@@H]([NH2+]CCn1ccn(C)c(=O)c1=O)c1cccs1 ZINC000061797386 525471027 /nfs/dbraw/zinc/47/10/27/525471027.db2.gz ROKXEQOVPAKFIM-SNVBAGLBSA-N 1 0 279.365 0.959 10 0 CCAERO C[C@H]([NH2+][C@H](CO)c1ccccc1)C(=O)NC(=O)NC1CC1 ZINC000182897320 525594881 /nfs/dbraw/zinc/59/48/81/525594881.db2.gz TXBBRYWGHAOCFN-GXFFZTMASA-N 1 0 291.351 0.686 10 0 CCAERO C[C@@H]([NH2+][C@H](CO)c1ccccc1)C(=O)NC(=O)NC1CC1 ZINC000182897341 525668570 /nfs/dbraw/zinc/66/85/70/525668570.db2.gz TXBBRYWGHAOCFN-ZWNOBZJWSA-N 1 0 291.351 0.686 10 0 CCAERO Cc1ccc(C(=O)CC[N@@H+]2C[C@H](O)C[C@@H]2CO)cc1 ZINC000184744535 526044906 /nfs/dbraw/zinc/04/49/06/526044906.db2.gz UTKYPSQLPZFYKT-ZIAGYGMSSA-N 1 0 263.337 0.995 10 0 CCAERO Cc1ccc(C(=O)NCCNC(=O)[C@H](C)C2C[NH2+]C2)cc1 ZINC000164306045 526166918 /nfs/dbraw/zinc/16/69/18/526166918.db2.gz BKMKAVANSNSUJN-GFCCVEGCSA-N 1 0 289.379 0.697 10 0 CCAERO CN(C[C@@H]1CCC[C@H]1O)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000517148500 536428579 /nfs/dbraw/zinc/42/85/79/536428579.db2.gz HCYBILSMWWKYLT-QWHCGFSZSA-N 1 0 283.416 0.290 10 0 CCAERO Cc1n[nH]c(C)c1S(=O)(=O)N[C@H]1CCCCC[C@@H]1[NH3+] ZINC000063213555 526504811 /nfs/dbraw/zinc/50/48/11/526504811.db2.gz IJVLANFPRXKMMZ-QWRGUYRKSA-N 1 0 286.401 0.965 10 0 CCAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)Nc1ccon1 ZINC000183606097 526572607 /nfs/dbraw/zinc/57/26/07/526572607.db2.gz GOKQZWINAXAKIM-JTQLQIEISA-N 1 0 268.317 0.643 10 0 CCAERO COCCOCCN(Cc1ccccc1)C(=O)C1C[NH2+]C1 ZINC000262180222 536495465 /nfs/dbraw/zinc/49/54/65/536495465.db2.gz DNTHIWCBWNLGSR-UHFFFAOYSA-N 1 0 292.379 0.898 10 0 CCAERO NC(=O)[C@H]1CCC[N@@H+]1CCC(=O)NC1CCCC1 ZINC000052440761 527004871 /nfs/dbraw/zinc/00/48/71/527004871.db2.gz LRVWQJZSLQJHKM-LLVKDONJSA-N 1 0 253.346 0.385 10 0 CCAERO O=S(=O)(C[C@@H]1CCCC[NH2+]1)Nc1ccncc1 ZINC000049630584 527181806 /nfs/dbraw/zinc/18/18/06/527181806.db2.gz WUELDIFISZCRJW-NSHDSACASA-N 1 0 255.343 0.965 10 0 CCAERO [NH3+]CCNCc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000050523256 527189466 /nfs/dbraw/zinc/18/94/66/527189466.db2.gz ORSFBTZMPHLYKM-UHFFFAOYSA-N 1 0 252.705 0.625 10 0 CCAERO [NH3+]C[C@@H](C(=O)N1CCS(=O)CC1)c1ccccc1 ZINC000061612955 527199989 /nfs/dbraw/zinc/19/99/89/527199989.db2.gz KZSOLESRHZZNDX-GFCCVEGCSA-N 1 0 266.366 0.320 10 0 CCAERO NC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCC[C@@H](C[NH3+])C1 ZINC000055146484 527213534 /nfs/dbraw/zinc/21/35/34/527213534.db2.gz IFFUMLBEOOGHCJ-GMTAPVOTSA-N 1 0 253.346 0.228 10 0 CCAERO O=C(Cc1cccc(F)c1F)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262132984 527267130 /nfs/dbraw/zinc/26/71/30/527267130.db2.gz GONZTDZUNZXWAX-GXSJLCMTSA-N 1 0 270.279 0.204 10 0 CCAERO [NH3+]Cc1ncccc1Cn1nc2n(c1=O)CCCC2 ZINC000061817385 527267356 /nfs/dbraw/zinc/26/73/56/527267356.db2.gz MQJUGTCAQGRWOD-UHFFFAOYSA-N 1 0 259.313 0.283 10 0 CCAERO Cn1ccn(Cc2ccc(C[NH3+])cc2F)c(=O)c1=O ZINC000061796786 527413716 /nfs/dbraw/zinc/41/37/16/527413716.db2.gz IBIIHKAMUGDXQC-UHFFFAOYSA-N 1 0 263.272 0.193 10 0 CCAERO Cc1nccn1CC[NH2+][C@@H](C)CN1CCOCC1 ZINC000049504524 527432018 /nfs/dbraw/zinc/43/20/18/527432018.db2.gz ZDNNIBXSWHHUPU-LBPRGKRZSA-N 1 0 252.362 0.502 10 0 CCAERO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H]1CCC[C@@H]1[NH3+] ZINC000063175181 527657409 /nfs/dbraw/zinc/65/74/09/527657409.db2.gz WBTDGVRFWSNUMC-VHSXEESVSA-N 1 0 272.374 0.195 10 0 CCAERO CC(C)S(=O)(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000675055215 545320669 /nfs/dbraw/zinc/32/06/69/545320669.db2.gz ONZXVGQLFGLVTI-UHFFFAOYSA-N 1 0 250.364 0.164 10 0 CCAERO CCCS(=O)(=O)N1CCO[C@@](CC)(C[NH3+])C1 ZINC000675059471 545320784 /nfs/dbraw/zinc/32/07/84/545320784.db2.gz 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C[NH2+]C[C@@H]1CCCCN1c1cncc(C(=O)OC)n1 ZINC000091418481 622777240 /nfs/dbraw/zinc/77/72/40/622777240.db2.gz CRTZTWQKSVKFGY-JTQLQIEISA-N 1 0 264.329 0.842 10 0 CCAERO CN1CCO[C@H](CNC(=O)c2ccc(N)cc2Cl)C1 ZINC000091662108 622894559 /nfs/dbraw/zinc/89/45/59/622894559.db2.gz VTIVUKIBGWNRDL-SNVBAGLBSA-N 1 0 283.759 0.983 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1CSCN1C(C)=O ZINC000176990633 623218780 /nfs/dbraw/zinc/21/87/80/623218780.db2.gz MEHQFYNVYNPGGF-STQMWFEESA-N 1 0 299.440 0.851 10 0 CCAERO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)/C=C\c1ccccc1 ZINC000255677580 623237351 /nfs/dbraw/zinc/23/73/51/623237351.db2.gz YEMRDISITPQQFO-CFYYFVFUSA-N 1 0 298.408 0.889 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)Cn1cnc(C(=O)OC)n1 ZINC000177164322 623362006 /nfs/dbraw/zinc/36/20/06/623362006.db2.gz HQUWPJRHVDVANT-NSHDSACASA-N 1 0 281.360 0.438 10 0 CCAERO [NH3+][C@@H](CC1CC1)C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000311881340 623810561 /nfs/dbraw/zinc/81/05/61/623810561.db2.gz UQAZDTOIVXFKSU-STQMWFEESA-N 1 0 267.373 0.047 10 0 CCAERO C[C@@H](NS(=O)(=O)CC1CC[NH2+]CC1)[C@H]1CCCO1 ZINC000049643402 624483275 /nfs/dbraw/zinc/48/32/75/624483275.db2.gz RLHLFNODDFHKHR-ZYHUDNBSSA-N 1 0 276.402 0.473 10 0 CCAERO OCCN1CCC[C@H]([NH2+]C[C@H](O)c2ccccc2)C1 ZINC000313545988 625839317 /nfs/dbraw/zinc/83/93/17/625839317.db2.gz DSGMDCXFIZXYIU-GJZGRUSLSA-N 1 0 264.369 0.766 10 0 CCAERO [NH3+]CC[C@H]1CCN(c2nnnn2-c2ccccc2)C1 ZINC000125446546 625861548 /nfs/dbraw/zinc/86/15/48/625861548.db2.gz HVTDXVQWLNETSO-NSHDSACASA-N 1 0 258.329 0.837 10 0 CCAERO O=S(=O)(C[C@@H]1C[NH2+]CCO1)N[C@H]1COc2ccccc21 ZINC000313655675 625868372 /nfs/dbraw/zinc/86/83/72/625868372.db2.gz KBAKECOJYXOFEF-JQWIXIFHSA-N 1 0 298.364 0.028 10 0 CCAERO [NH3+][C@@H](CO)C(=O)NCc1ccc(Br)s1 ZINC000259023390 631027467 /nfs/dbraw/zinc/02/74/67/631027467.db2.gz SXRRCNJBYYRKOY-LURJTMIESA-N 1 0 279.159 0.446 10 0 CCAERO C([NH2+]CC1CC1)c1nc([C@@H]2CN3CCN2CC3)no1 ZINC000094506062 631278573 /nfs/dbraw/zinc/27/85/73/631278573.db2.gz HZZSSPHTZQPVGJ-NSHDSACASA-N 1 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WFPMEZRORQHCLM-GHMZBOCLSA-N 1 0 255.362 0.298 10 0 CCAERO CCN(CC(=O)NC)C(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089388193 649654553 /nfs/dbraw/zinc/65/45/53/649654553.db2.gz VQHMNFVKWCKCNL-WDEREUQCSA-N 1 0 255.362 0.346 10 0 CCAERO CC[C@H]1CN(CCC2OCCO2)CC[N@@H+]1C[C@H](C)O ZINC000248628970 649735444 /nfs/dbraw/zinc/73/54/44/649735444.db2.gz QYMZZICLNLWSEX-STQMWFEESA-N 1 0 272.389 0.526 10 0 CCAERO CC(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000248847369 649738402 /nfs/dbraw/zinc/73/84/02/649738402.db2.gz IJGPGOPEHRJUQI-DVVUODLYSA-N 1 0 271.386 0.165 10 0 CCAERO COC(=O)[C@H]1C[N@H+](CC(=O)NC(=O)NCC(C)C)C[C@H]1C ZINC000094996882 649750945 /nfs/dbraw/zinc/75/09/45/649750945.db2.gz DRHIZECDWHHEEY-MNOVXSKESA-N 1 0 299.371 0.209 10 0 CCAERO CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000250753559 649787826 /nfs/dbraw/zinc/78/78/26/649787826.db2.gz HRLMIWXKCIZNEW-MJBXVCDLSA-N 1 0 281.400 0.879 10 0 CCAERO C[C@H]1C[C@H]([NH2+][C@@H]2CS(=O)(=O)C[C@H]2O)C[C@@H](C)C1 ZINC000252139843 649824031 /nfs/dbraw/zinc/82/40/31/649824031.db2.gz NBJRZSSGDIMIAZ-YBXAARCKSA-N 1 0 261.387 0.559 10 0 CCAERO CCCOc1ccnc(N2CCN(C)C[C@H]2C[NH3+])n1 ZINC000252770570 649835739 /nfs/dbraw/zinc/83/57/39/649835739.db2.gz LBQYRWMIGFQEOV-LLVKDONJSA-N 1 0 265.361 0.345 10 0 CCAERO COC[C@]1(C(=O)[O-])CC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000707898291 969026695 /nfs/dbraw/zinc/02/66/95/969026695.db2.gz CRWZULDFFAIKQX-JSGCOSHPSA-N 1 0 270.373 0.894 10 0 CCAERO O=C([O-])[C@H]1[C@H](C[NH2+]CCCn2ccnc2)C1(F)F ZINC000715287775 977726168 /nfs/dbraw/zinc/72/61/68/977726168.db2.gz XZKFGLMBCMIENJ-DTWKUNHWSA-N 1 0 259.256 0.829 10 0 CCAERO O=C(CNc1cc(C(F)(F)F)ccn1)N1CC[NH2+]CC1 ZINC000090803786 349443782 /nfs/dbraw/zinc/44/37/82/349443782.db2.gz JTVHWCSVFYOEKV-UHFFFAOYSA-N 1 0 288.273 0.944 10 0 CCAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCN(Cc3cccnc3)CC2)C1 ZINC000091543698 349466516 /nfs/dbraw/zinc/46/65/16/349466516.db2.gz XTYIKLPVRBNZQN-HUUCEWRRSA-N 1 0 288.395 0.853 10 0 CCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2c(C)noc2C)C1 ZINC000092330565 349489913 /nfs/dbraw/zinc/48/99/13/349489913.db2.gz STPXDDMBIQDCPB-MWLCHTKSSA-N 1 0 253.302 0.285 10 0 CCAERO COc1ccc(C[NH2+]C[C@H]2CN(C)CCO2)cn1 ZINC000092055877 349481476 /nfs/dbraw/zinc/48/14/76/349481476.db2.gz YHNAYLHUAOBLOI-LBPRGKRZSA-N 1 0 251.330 0.510 10 0 CCAERO Cn1c2ccc(C(=O)[C@@H]3CCC[NH2+]3)cc2n(C)c1=O ZINC000082620976 178132212 /nfs/dbraw/zinc/13/22/12/178132212.db2.gz JPMAVVRSJXHNQH-JTQLQIEISA-N 1 0 259.309 0.812 10 0 CCAERO Cc1nc(NCC(=O)N2CC[NH2+]CC2)sc1C ZINC000082655268 178143603 /nfs/dbraw/zinc/14/36/03/178143603.db2.gz HLQSLMKBBSOMME-UHFFFAOYSA-N 1 0 254.359 0.604 10 0 CCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCC(CC(N)=O)CC1 ZINC000094647730 349571124 /nfs/dbraw/zinc/57/11/24/349571124.db2.gz LICCTZVDTIPIMG-PWSUYJOCSA-N 1 0 267.373 0.489 10 0 CCAERO COc1ccc(F)c(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)c1 ZINC000094855053 349576844 /nfs/dbraw/zinc/57/68/44/349576844.db2.gz VZJGYTPOSUCLPS-CPCISQLKSA-N 1 0 254.261 0.496 10 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C[NH+](C)[C@H]1CCN(C(=O)Cn2c3ccccc3[nH]c2=O)C1 ZINC000170865674 350869602 /nfs/dbraw/zinc/86/96/02/350869602.db2.gz HHRTVTBRADQRHK-NSHDSACASA-N 1 0 288.351 0.492 10 0 CCAERO COC[C@@H]1CN(C(=O)c2nccn2C)CC12CC[NH2+]CC2 ZINC000169782377 350839047 /nfs/dbraw/zinc/83/90/47/350839047.db2.gz UAYLPUMZPIBFFK-LBPRGKRZSA-N 1 0 292.383 0.508 10 0 CCAERO COC[C@@H]1CN(C(=O)N(C)C)CC12CC[NH2+]CC2 ZINC000169782303 350839139 /nfs/dbraw/zinc/83/91/39/350839139.db2.gz XVKVWINMPJYLEM-NSHDSACASA-N 1 0 255.362 0.616 10 0 CCAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc3c(c2)OCC(=O)N3)C1 ZINC000170859950 350868569 /nfs/dbraw/zinc/86/85/69/350868569.db2.gz KLIGQSGHCGMNQM-NSHDSACASA-N 1 0 289.335 0.794 10 0 CCAERO Cn1nnc2cc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)ccc21 ZINC000171471163 350911105 /nfs/dbraw/zinc/91/11/05/350911105.db2.gz CZJUEVYCCFUCEN-GFCCVEGCSA-N 1 0 285.351 0.889 10 0 CCAERO Cn1cc([C@@H]2CCC[N@@H+]2CCN2C(=O)CCC2=O)cn1 ZINC000171504423 350913012 /nfs/dbraw/zinc/91/30/12/350913012.db2.gz QQTLZWHPBTUAPY-LBPRGKRZSA-N 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ZINC000638170365 374753240 /nfs/dbraw/zinc/75/32/40/374753240.db2.gz ODDAYFIKMJWRTJ-LOWVWBTDSA-N 1 0 256.346 0.439 10 0 CCAERO Cc1cnn(CCNC(=O)[C@@]2(C[NH3+])CCCOC2)c1 ZINC000638278031 374881918 /nfs/dbraw/zinc/88/19/18/374881918.db2.gz PMSVWSHOXRCTQU-CYBMUJFWSA-N 1 0 266.345 0.063 10 0 CCAERO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@@H](C)c2ncc(C)o2)C1 ZINC000638281592 374886733 /nfs/dbraw/zinc/88/67/33/374886733.db2.gz RYKMSPBXEVDAQD-OUJBWJOFSA-N 1 0 267.329 0.927 10 0 CCAERO Cc1nc(C)c(CNC(=O)[C@H]2C[NH2+]CCOC2)o1 ZINC000638443001 375045919 /nfs/dbraw/zinc/04/59/19/375045919.db2.gz FYBNVZMMFIZKGY-JTQLQIEISA-N 1 0 253.302 0.144 10 0 CCAERO O=C(NC[C@@H]1Cc2ccccc2CO1)[C@@H]1CC[NH2+]C1 ZINC000638459213 375063896 /nfs/dbraw/zinc/06/38/96/375063896.db2.gz IKJKWRLGXJVMEZ-OCCSQVGLSA-N 1 0 260.337 0.854 10 0 CCAERO CCOC[C@H]1CN(C(=O)C[C@H]([NH3+])C(C)C)CCO1 ZINC000638605393 375186373 /nfs/dbraw/zinc/18/63/73/375186373.db2.gz MSAARSHJCZDURI-NEPJUHHUSA-N 1 0 258.362 0.624 10 0 CCAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)C1(C[NH3+])CCOCC1 ZINC000638627294 375229649 /nfs/dbraw/zinc/22/96/49/375229649.db2.gz FPECZOAILRFCCZ-WRWGMCAJSA-N 1 0 270.373 0.670 10 0 CCAERO CN(C(=O)C[C@@H]1CCC[NH2+]C1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000638696394 375301464 /nfs/dbraw/zinc/30/14/64/375301464.db2.gz BRIYUQGXBKKJBG-GARJFASQSA-N 1 0 253.346 0.098 10 0 CCAERO CN(C(=O)C1CCC([NH3+])CC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000638700487 375307111 /nfs/dbraw/zinc/30/71/11/375307111.db2.gz XTUIPEJCWGJKJZ-WHTULNAYSA-N 1 0 253.346 0.226 10 0 CCAERO CCN1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1=O ZINC000638826562 375394599 /nfs/dbraw/zinc/39/45/99/375394599.db2.gz PVZVZOXPTUNTFG-GMTAPVOTSA-N 1 0 253.346 0.112 10 0 CCAERO COC[C@]1(C(=O)NC[C@H]2C[C@@H](OC)C2)CCC[NH2+]1 ZINC000638809824 375385045 /nfs/dbraw/zinc/38/50/45/375385045.db2.gz ZIHQOUXJFWGJQA-LOWVWBTDSA-N 1 0 256.346 0.296 10 0 CCAERO CCc1nnsc1C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638886944 375426404 /nfs/dbraw/zinc/42/64/04/375426404.db2.gz MNCFCQAXUMDXBV-JGVFFNPUSA-N 1 0 254.359 0.767 10 0 CCAERO C[C@@H]1CN(C(=O)CN(C)C(=O)c2cccs2)C[C@H]1C[NH3+] ZINC000638887949 375428036 /nfs/dbraw/zinc/42/80/36/375428036.db2.gz FXZZEAWSDJSJOC-GHMZBOCLSA-N 1 0 295.408 0.873 10 0 CCAERO C[C@H]1CN(C(=O)c2ccc(N(C)C)nc2)C[C@H]1C[NH3+] ZINC000638894435 375431541 /nfs/dbraw/zinc/43/15/41/375431541.db2.gz ORKPEARQVLVCRL-CMPLNLGQSA-N 1 0 262.357 0.814 10 0 CCAERO Cn1nnnc1N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656607730 412835522 /nfs/dbraw/zinc/83/55/22/412835522.db2.gz FZDBITHUKRADBC-LLVKDONJSA-N 1 0 250.350 0.426 10 0 CCAERO CN(CC(C)(C)[NH3+])c1ncccc1S(C)(=O)=O ZINC000656608997 412835791 /nfs/dbraw/zinc/83/57/91/412835791.db2.gz RZBFMDIFBNBSRG-UHFFFAOYSA-N 1 0 257.359 0.659 10 0 CCAERO CC(C)Oc1cncc(N(C)CC(=O)N2CC[NH2+]CC2)n1 ZINC000071175979 284557665 /nfs/dbraw/zinc/55/76/65/284557665.db2.gz YEYHTCBGTMXOJR-UHFFFAOYSA-N 1 0 293.371 0.132 10 0 CCAERO C[C@H]1CN(S(=O)(=O)CCn2ccnc2)C[C@@H]1[NH+](C)C ZINC000641378399 377051983 /nfs/dbraw/zinc/05/19/83/377051983.db2.gz QYJDKJBNQKVSMK-RYUDHWBXSA-N 1 0 286.401 0.095 10 0 CCAERO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CNC(=O)C1 ZINC000110344832 284640646 /nfs/dbraw/zinc/64/06/46/284640646.db2.gz UXYVOLNTFQAZOO-NWDGAFQWSA-N 1 0 291.351 0.669 10 0 CCAERO CCC[C@H](C(=O)N[C@H](CCO)CSC)[NH+](C)C ZINC000129165224 284765287 /nfs/dbraw/zinc/76/52/87/284765287.db2.gz ODYHSITTXWHZNU-GHMZBOCLSA-N 1 0 262.419 0.947 10 0 CCAERO O=C1CC2(CN1)CC[NH+]([C@H]1CCCC[C@H]1O)CC2 ZINC000335836725 296314946 /nfs/dbraw/zinc/31/49/46/296314946.db2.gz VNTGBKYPUPRNOV-NWDGAFQWSA-N 1 0 252.358 0.892 10 0 CCAERO CCN(CCC[NH+](C)C)C(=O)NCC(=O)NCC1CC1 ZINC000190196066 284913970 /nfs/dbraw/zinc/91/39/70/284913970.db2.gz RWFPYDZBIMCURJ-UHFFFAOYSA-N 1 0 284.404 0.496 10 0 CCAERO Cn1cccc1S(=O)(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000334918531 207290902 /nfs/dbraw/zinc/29/09/02/207290902.db2.gz VQGGLZVWOSCKBJ-MNOVXSKESA-N 1 0 269.370 0.350 10 0 CCAERO O=C(C[NH2+]C1CC1)Nc1ccccc1-n1ccnn1 ZINC000037609354 184540444 /nfs/dbraw/zinc/54/04/44/184540444.db2.gz LUGWCAPFRHITOO-UHFFFAOYSA-N 1 0 257.297 0.958 10 0 CCAERO C[C@@H]1CN(Cc2nccn2C)C[C@H]1N1CCOCC1 ZINC000246359094 285016953 /nfs/dbraw/zinc/01/69/53/285016953.db2.gz GPCKDJKMOXNRNL-CHWSQXEVSA-N 1 0 264.373 0.573 10 0 CCAERO CCOCC[N@@H+]1CCN(C(=O)N[C@H]2CCOC2)C[C@H]1CC ZINC000246587094 285026598 /nfs/dbraw/zinc/02/65/98/285026598.db2.gz NTRWWMNQTSLMNN-UONOGXRCSA-N 1 0 299.415 0.918 10 0 CCAERO C[C@H]1CN(S(=O)(=O)NC2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000247162531 285043751 /nfs/dbraw/zinc/04/37/51/285043751.db2.gz QOGKYXDJSHQTOM-QWRGUYRKSA-N 1 0 291.417 0.024 10 0 CCAERO COCCN1CCN(C(=O)[C@@H](C)C2C[NH2+]C2)C[C@@H]1C ZINC000262402444 285043967 /nfs/dbraw/zinc/04/39/67/285043967.db2.gz PPTKTJIDGKZPIB-RYUDHWBXSA-N 1 0 269.389 0.021 10 0 CCAERO CC[C@H]1C[N@H+](C[C@@H](O)CN2CCCC2=O)CCS1 ZINC000247519314 285053500 /nfs/dbraw/zinc/05/35/00/285053500.db2.gz NGXBLENPAIOTEX-NEPJUHHUSA-N 1 0 272.414 0.797 10 0 CCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)NCC(F)(F)F)[C@H](C)C1 ZINC000248661629 285073711 /nfs/dbraw/zinc/07/37/11/285073711.db2.gz IBZUKHURFUAPII-BDAKNGLRSA-N 1 0 283.294 0.645 10 0 CCAERO CC[C@@H]1CN(C[C@@H](O)C(F)(F)F)CC[N@@H+]1CCOC ZINC000248600023 285070896 /nfs/dbraw/zinc/07/08/96/285070896.db2.gz UUJBJYLSWLUKKO-GHMZBOCLSA-N 1 0 284.322 0.952 10 0 CCAERO C[C@H](C(F)(F)F)S(=O)(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000335372445 208301909 /nfs/dbraw/zinc/30/19/09/208301909.db2.gz MBEQWCGYAOPIRD-SFYZADRCSA-N 1 0 274.308 0.938 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CC[C@H](O)C2)C1 ZINC000248885492 285087882 /nfs/dbraw/zinc/08/78/82/285087882.db2.gz HFNAQUUIPJOLBM-AVGNSLFASA-N 1 0 269.389 0.931 10 0 CCAERO CC(C)[C@H]1CCN1C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000335378962 208321245 /nfs/dbraw/zinc/32/12/45/208321245.db2.gz OTGCGXSZXSMQPS-DOMZBBRYSA-N 1 0 279.384 0.598 10 0 CCAERO CC[C@H]1C[N@H+](C[C@@H](O)CSC)CCN1CCOC ZINC000249282292 285107894 /nfs/dbraw/zinc/10/78/94/285107894.db2.gz 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/nfs/dbraw/zinc/80/27/36/388802736.db2.gz SHSUEQZTOXDPBI-GFCCVEGCSA-N 1 0 263.341 0.676 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1nccn(C)c1=O ZINC000183858762 388763721 /nfs/dbraw/zinc/76/37/21/388763721.db2.gz FYZCDFPYHLOGBY-WDEREUQCSA-N 1 0 291.355 0.481 10 0 CCAERO COCc1cc(C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)no1 ZINC000284117798 388772844 /nfs/dbraw/zinc/77/28/44/388772844.db2.gz OPHSKNRRPBGUGB-CHWSQXEVSA-N 1 0 295.339 0.366 10 0 CCAERO COCC(=O)NC1CN(C[C@H](O)c2ccc(C)cc2)C1 ZINC000185087174 388785611 /nfs/dbraw/zinc/78/56/11/388785611.db2.gz OKZKSBANXPGJAH-AWEZNQCLSA-N 1 0 278.352 0.475 10 0 CCAERO CC[N@H+](CCO)CCNC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000187135587 388869318 /nfs/dbraw/zinc/86/93/18/388869318.db2.gz QHKRYSFZTUKYRH-NEPJUHHUSA-N 1 0 273.377 0.167 10 0 CCAERO CC[C@@H](O)CN1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000189448963 388960501 /nfs/dbraw/zinc/96/05/01/388960501.db2.gz AHTYJHQGAJULCK-KGLIPLIRSA-N 1 0 256.390 0.944 10 0 CCAERO CC(=O)NC1CN(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000190238155 388986077 /nfs/dbraw/zinc/98/60/77/388986077.db2.gz BRNFBMKRXFZYMB-AAEUAGOBSA-N 1 0 282.388 0.389 10 0 CCAERO CC(=O)N1CCC[C@@H](C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)C1 ZINC000190740244 388998394 /nfs/dbraw/zinc/99/83/94/388998394.db2.gz IBARXMNDWJHJFO-KGLIPLIRSA-N 1 0 293.411 0.988 10 0 CCAERO CC1CCN(C(=O)N2CCC[N@H+](CCO)CC2)CC1 ZINC000091990058 389025216 /nfs/dbraw/zinc/02/52/16/389025216.db2.gz OZCGSZJAHATMFL-UHFFFAOYSA-N 1 0 269.389 0.838 10 0 CCAERO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3C[C@@H]3C(=O)OC)[C@@H]2C1 ZINC000355353597 389065064 /nfs/dbraw/zinc/06/50/64/389065064.db2.gz XKJGTTCPTGYWKH-XQHKEYJVSA-N 1 0 296.367 0.117 10 0 CCAERO CN1C[C@H](C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1=O ZINC000106790559 389093974 /nfs/dbraw/zinc/09/39/74/389093974.db2.gz JAXVRKLYVOXSQH-NEPJUHHUSA-N 1 0 279.384 0.598 10 0 CCAERO CN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1=O ZINC000106790551 389094452 /nfs/dbraw/zinc/09/44/52/389094452.db2.gz JAXVRKLYVOXSQH-VXGBXAGGSA-N 1 0 279.384 0.598 10 0 CCAERO C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)[C@H](C)N1CCOCC1 ZINC000105191680 389085850 /nfs/dbraw/zinc/08/58/50/389085850.db2.gz FVYNOYGQPQJTTK-IHRRRGAJSA-N 1 0 298.431 0.489 10 0 CCAERO CC(C)n1nnnc1CN1CCC[C@H]([C@@H](C)O)C1 ZINC000305635830 389086803 /nfs/dbraw/zinc/08/68/03/389086803.db2.gz OLUIPBXAQGAVEQ-MNOVXSKESA-N 1 0 253.350 0.847 10 0 CCAERO CC(C)n1nnnc1CN1CCC[C@H]([C@H](C)O)C1 ZINC000305635831 389086895 /nfs/dbraw/zinc/08/68/95/389086895.db2.gz OLUIPBXAQGAVEQ-QWRGUYRKSA-N 1 0 253.350 0.847 10 0 CCAERO CC(C)n1nnnc1CN1CCC[C@@H]([C@@H](C)O)C1 ZINC000305635828 389086909 /nfs/dbraw/zinc/08/69/09/389086909.db2.gz OLUIPBXAQGAVEQ-GHMZBOCLSA-N 1 0 253.350 0.847 10 0 CCAERO [NH3+][C@@H]1CC[C@H]2CN(CN3C(=O)c4ccccc4C3=O)C[C@H]12 ZINC000307618907 389091588 /nfs/dbraw/zinc/09/15/88/389091588.db2.gz VHTRFDFWKJGUBY-LEWSCRJBSA-N 1 0 285.347 0.909 10 0 CCAERO CCC[C@H](C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1)[NH+](C)C ZINC000120872567 389145208 /nfs/dbraw/zinc/14/52/08/389145208.db2.gz YILFRGJIIYPGDK-MGPQQGTHSA-N 1 0 285.432 0.630 10 0 CCAERO C[C@@](O)(C[NH+]1CCC(OCCO)CC1)C(F)(F)F ZINC000310752393 389097576 /nfs/dbraw/zinc/09/75/76/389097576.db2.gz KJYRYJJLBLOABZ-SNVBAGLBSA-N 1 0 271.279 0.773 10 0 CCAERO CN(C[C@@H](O)C[N@@H+]1CCC[C@@H]1CCCO)C1CC1 ZINC000310904655 389099871 /nfs/dbraw/zinc/09/98/71/389099871.db2.gz CWOWVMRDUZHDLM-ZIAGYGMSSA-N 1 0 256.390 0.678 10 0 CCAERO CCc1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n(C)n1 ZINC000311514500 389103464 /nfs/dbraw/zinc/10/34/64/389103464.db2.gz HXXPQDYETASFMR-WCQGTBRESA-N 1 0 262.357 0.792 10 0 CCAERO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CNC(=O)C1 ZINC000194878269 389108227 /nfs/dbraw/zinc/10/82/27/389108227.db2.gz VUVCKDZZOGMIGB-IJLUTSLNSA-N 1 0 267.373 0.359 10 0 CCAERO Cc1ccccc1[C@H](C)NS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC000313418501 389114168 /nfs/dbraw/zinc/11/41/68/389114168.db2.gz WTMDKOXNNYVIKA-QWHCGFSZSA-N 1 0 298.408 0.964 10 0 CCAERO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@H]2CNC(=O)C2)C1 ZINC000195092951 389115340 /nfs/dbraw/zinc/11/53/40/389115340.db2.gz XOAIEGVGPNQGBD-JHJVBQTASA-N 1 0 295.427 0.995 10 0 CCAERO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](C[C@H]2CCCO2)C1 ZINC000339042429 389122512 /nfs/dbraw/zinc/12/25/12/389122512.db2.gz SRRSPHZAGUCDEB-VXGBXAGGSA-N 1 0 276.402 0.568 10 0 CCAERO C[C@H]1C[C@@H](NC(=O)NCC(=O)N2CCCC2)C[N@@H+]1C1CC1 ZINC000119035519 389138029 /nfs/dbraw/zinc/13/80/29/389138029.db2.gz VBEISUKXAITZRB-NWDGAFQWSA-N 1 0 294.399 0.533 10 0 CCAERO O=S(=O)(CC[NH+]1CCCC1)N1CCSCC1 ZINC000189416509 269731870 /nfs/dbraw/zinc/73/18/70/269731870.db2.gz XYFYCGPAXHXMRL-UHFFFAOYSA-N 1 0 264.416 0.461 10 0 CCAERO [NH3+][C@@H]1CCC[C@H]2CN(c3ncnc4nc[nH]c43)C[C@H]21 ZINC000228552622 389154025 /nfs/dbraw/zinc/15/40/25/389154025.db2.gz KBLHFJWBFDQUKW-IVZWLZJFSA-N 1 0 258.329 0.917 10 0 CCAERO CNC(=O)[C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000124105910 389159825 /nfs/dbraw/zinc/15/98/25/389159825.db2.gz PVOJSWGRFRAHGK-KBPBESRZSA-N 1 0 293.411 0.845 10 0 CCAERO CC(=O)N[C@H](C)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000124302904 389160625 /nfs/dbraw/zinc/16/06/25/389160625.db2.gz DMUUHCLHZBQWDA-VXGBXAGGSA-N 1 0 297.399 0.223 10 0 CCAERO C[N@@H+]1CC[C@H]2CCN(C(=O)[C@H]3CCC(=O)N3)[C@@H]2C1 ZINC000329418677 389162924 /nfs/dbraw/zinc/16/29/24/389162924.db2.gz GJZCOLWFIQYKGS-HBNTYKKESA-N 1 0 251.330 0.658 10 0 CCAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC(N)=O)C[C@@H]12 ZINC000248562219 389246983 /nfs/dbraw/zinc/24/69/83/389246983.db2.gz CWFYPZAHHCZIMG-GMTAPVOTSA-N 1 0 283.372 0.707 10 0 CCAERO C[C@@H]1CCCN1S(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000248670694 389248521 /nfs/dbraw/zinc/24/85/21/389248521.db2.gz BBKPDQIJWXYUSA-UPJWGTAASA-N 1 0 287.429 0.884 10 0 CCAERO O=C1O[C@H](C[N@@H+]2CC[C@@H](N3CCOCC3)C2)CC12CCC2 ZINC000248828571 389250557 /nfs/dbraw/zinc/25/05/57/389250557.db2.gz HOYDSAXGKCGJQC-KGLIPLIRSA-N 1 0 294.395 0.879 10 0 CCAERO CC[C@@H]1CN(CCN2CCO[C@@H](C)C2)CC[N@@H+]1C[C@@H](C)O ZINC000249023626 389251718 /nfs/dbraw/zinc/25/17/18/389251718.db2.gz KPDBDXCBCIOZLF-OWCLPIDISA-N 1 0 299.459 0.484 10 0 CCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C2(NC(N)=O)CC2)C1 ZINC000245563210 389213103 /nfs/dbraw/zinc/21/31/03/389213103.db2.gz CTXUIWDSHJRCOG-VHSXEESVSA-N 1 0 268.361 0.032 10 0 CCAERO CC[C@H](C)NC(=O)C[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000246489298 389228696 /nfs/dbraw/zinc/22/86/96/389228696.db2.gz PGUTUKUTYMMPFK-IHRRRGAJSA-N 1 0 283.416 0.554 10 0 CCAERO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)CC(=O)N(C)C ZINC000246990231 389234292 /nfs/dbraw/zinc/23/42/92/389234292.db2.gz NCNNNTRSRPVAGF-RYUDHWBXSA-N 1 0 269.389 0.701 10 0 CCAERO CC[C@H](C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1)[NH+](C)C ZINC000247078478 389235733 /nfs/dbraw/zinc/23/57/33/389235733.db2.gz QQIGDTZBSIYAGU-MCIONIFRSA-N 1 0 283.416 0.506 10 0 CCAERO CC(C)(C)[S@](=O)CCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000158326640 389339525 /nfs/dbraw/zinc/33/95/25/389339525.db2.gz ZMEVEYOMJRVWNG-DIFFPNOSSA-N 1 0 264.366 0.351 10 0 CCAERO 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Cc1cccc2[nH]cc(CCNC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)c21 ZINC000262573016 131234975 /nfs/dbraw/zinc/23/49/75/131234975.db2.gz ZLSQRLOVWFYXOR-OCCSQVGLSA-N 1 0 287.363 0.858 10 0 CCAERO C[NH2+]CC(=O)N(C)CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000262732124 131256433 /nfs/dbraw/zinc/25/64/33/131256433.db2.gz DOSRQCSMYHCLLB-UHFFFAOYSA-N 1 0 295.339 0.320 10 0 CCAERO O=C(N[C@@H]1CCCC[C@H]1O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262855022 131268446 /nfs/dbraw/zinc/26/84/46/131268446.db2.gz VTKARJDQFCNWIS-YRGRVCCFSA-N 1 0 292.383 0.841 10 0 CCAERO C[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)[C@@H](C[NH3+])C1 ZINC000235313385 296529937 /nfs/dbraw/zinc/52/99/37/296529937.db2.gz NMTRWEASVAYVPL-GMTAPVOTSA-N 1 0 274.386 0.007 10 0 CCAERO CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658239421 413110798 /nfs/dbraw/zinc/11/07/98/413110798.db2.gz CQRSDEOWSNBBKV-CHWSQXEVSA-N 1 0 264.373 0.976 10 0 CCAERO CCC[C@H]([NH3+])C(=O)Nc1ccc(S(=O)(=O)NC)cc1 ZINC000037040418 397380132 /nfs/dbraw/zinc/38/01/32/397380132.db2.gz 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LBFSKZXSEWLDBC-WISYIIOYSA-N 1 0 255.362 0.851 10 0 CCAERO CC[C@@H]1CN([C@@H](C)C(=O)N(C)C)CC[N@@H+]1CCOC ZINC000105914687 287206704 /nfs/dbraw/zinc/20/67/04/287206704.db2.gz GJRBILQBYREHCV-QWHCGFSZSA-N 1 0 271.405 0.506 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H](C)NC(N)=O ZINC000186573711 287223122 /nfs/dbraw/zinc/22/31/22/287223122.db2.gz VJXACHVZDGJZNC-HBNTYKKESA-N 1 0 268.361 0.128 10 0 CCAERO Cc1cc(C(C)C)nc(N2CCN(C)C[C@@H]2C[NH3+])n1 ZINC000122596781 411707775 /nfs/dbraw/zinc/70/77/75/411707775.db2.gz OHFBODNYSVUPHV-LBPRGKRZSA-N 1 0 263.389 0.988 10 0 CCAERO [NH3+]Cc1cn(CC(=O)NCCCc2ccccc2)nn1 ZINC000050224255 411676149 /nfs/dbraw/zinc/67/61/49/411676149.db2.gz PRJROMZGGJWCMB-UHFFFAOYSA-N 1 0 273.340 0.486 10 0 CCAERO CSCC[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(N)=O ZINC000013541957 170560149 /nfs/dbraw/zinc/56/01/49/170560149.db2.gz MBNJPHPFGXSSTO-RYUDHWBXSA-N 1 0 295.408 0.280 10 0 CCAERO CC(C)(C(=O)N1CCO[C@@H]2CCCC[C@H]21)N1CC[NH2+]CC1 ZINC000129658138 411719789 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/nfs/dbraw/zinc/10/74/51/171107451.db2.gz QWLKVKJVUJYDAR-UHFFFAOYSA-N 1 0 255.343 0.898 10 0 CCAERO CCNS(=O)(=O)c1cc(C)c(OCC[NH3+])cc1C ZINC000020267913 171124115 /nfs/dbraw/zinc/12/41/15/171124115.db2.gz AIZKPHLPIQPJLX-UHFFFAOYSA-N 1 0 272.370 0.939 10 0 CCAERO COCCNC(=O)[C@H](C)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000020358547 171157503 /nfs/dbraw/zinc/15/75/03/171157503.db2.gz RZDWRRPGJIVMHG-KBPBESRZSA-N 1 0 285.432 0.992 10 0 CCAERO COC(=O)[C@H](C[NH3+])Cc1cc(OC)cc(OC)c1 ZINC000020579208 171256685 /nfs/dbraw/zinc/25/66/85/171256685.db2.gz CCKJOYBZOWMHQG-JTQLQIEISA-N 1 0 253.298 0.994 10 0 CCAERO COC[C@H](C)NS(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000021816528 171332552 /nfs/dbraw/zinc/33/25/52/171332552.db2.gz KPYJDRBFCLPAID-JTQLQIEISA-N 1 0 272.370 0.600 10 0 CCAERO C[C@]1(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CCOC1 ZINC000653089735 412214738 /nfs/dbraw/zinc/21/47/38/412214738.db2.gz SEAVKDPGUUQZQO-FXPVBKGRSA-N 1 0 280.290 0.927 10 0 CCAERO COCCN(CCOC)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F 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CCCNS(=O)(=O)c1ccccc1NCC[NH3+] ZINC000035353758 172144919 /nfs/dbraw/zinc/14/49/19/172144919.db2.gz UXSPQPNGDSWRSS-UHFFFAOYSA-N 1 0 257.359 0.746 10 0 CCAERO CO[C@H]1C[NH2+]C[C@H]1NC(=O)Cc1ccc(F)cc1 ZINC000036236145 172532954 /nfs/dbraw/zinc/53/29/54/172532954.db2.gz FYTZVVRTNFNFBR-NEPJUHHUSA-N 1 0 252.289 0.471 10 0 CCAERO COc1cc(OC)cc(C(=O)NC2[C@H]3C[NH2+]C[C@@H]23)c1 ZINC000036236291 172534051 /nfs/dbraw/zinc/53/40/51/172534051.db2.gz IJQXRKCMEQVHIT-FUNVUKJBSA-N 1 0 262.309 0.651 10 0 CCAERO [NH3+]CCc1ccc(S(=O)(=O)NC2CCOCC2)s1 ZINC000036320088 172601792 /nfs/dbraw/zinc/60/17/92/172601792.db2.gz QAIJQCVHABQYIA-UHFFFAOYSA-N 1 0 290.410 0.707 10 0 CCAERO O=C(CC[C@@H]1CCC[NH2+]C1)NC1CCS(=O)(=O)CC1 ZINC000036332165 172616672 /nfs/dbraw/zinc/61/66/72/172616672.db2.gz UCMFICMQBSKXOO-NSHDSACASA-N 1 0 288.413 0.460 10 0 CCAERO NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)c(N)c1 ZINC000037273109 173084814 /nfs/dbraw/zinc/08/48/14/173084814.db2.gz LFPQVSMVKQRADX-UHFFFAOYSA-N 1 0 263.341 0.572 10 0 CCAERO CNC(=O)[C@@H](C)N(CCC[NH3+])c1cccc(OC)c1 ZINC000037298684 173102866 /nfs/dbraw/zinc/10/28/66/173102866.db2.gz GIHMZLJZNOJHNQ-LLVKDONJSA-N 1 0 265.357 0.985 10 0 CCAERO CC[NH2+][C@@](C)(C(N)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000037447622 173214920 /nfs/dbraw/zinc/21/49/20/173214920.db2.gz VWJXQOXDZJNTQY-GFCCVEGCSA-N 1 0 270.354 0.400 10 0 CCAERO C[NH2+][C@](C)(C(N)=O)c1ccc(S(C)(=O)=O)cc1 ZINC000037459018 173224333 /nfs/dbraw/zinc/22/43/33/173224333.db2.gz PZLXPFQKMDXUKD-NSHDSACASA-N 1 0 256.327 0.010 10 0 CCAERO CN([C@H]1CCC[NH2+]C1)S(=O)(=O)N1CCCCC1 ZINC000037540667 173262100 /nfs/dbraw/zinc/26/21/00/173262100.db2.gz SMHREVBBWKGOLQ-NSHDSACASA-N 1 0 261.391 0.401 10 0 CCAERO CNC(=O)N1CC[NH+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000660093363 414107770 /nfs/dbraw/zinc/10/77/70/414107770.db2.gz SHUMWPVLWIBIFN-NWDGAFQWSA-N 1 0 255.362 0.495 10 0 CCAERO COCCOCCOCCC[N@@H+]1C[C@H](O)CC[C@H]1C ZINC000660833796 414496457 /nfs/dbraw/zinc/49/64/57/414496457.db2.gz VWHRHXNFIJECPK-ZIAGYGMSSA-N 1 0 275.389 0.901 10 0 CCAERO CCOCCCNC(=O)[C@H]1CCCN1C1CC[NH2+]CC1 ZINC000038042935 174047878 /nfs/dbraw/zinc/04/78/78/174047878.db2.gz ALQJLHZWUDACTK-CQSZACIVSA-N 1 0 283.416 0.746 10 0 CCAERO CC(C)CNC(=O)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000038042824 174047932 /nfs/dbraw/zinc/04/79/32/174047932.db2.gz SWSRRKDETCEBGB-ZDUSSCGKSA-N 1 0 253.390 0.975 10 0 CCAERO CC[NH2+]CCCNc1ccc(S(N)(=O)=O)cc1 ZINC000038043439 174049981 /nfs/dbraw/zinc/04/99/81/174049981.db2.gz XVRCIVJJJCWYFC-UHFFFAOYSA-N 1 0 257.359 0.746 10 0 CCAERO C[C@@H]([NH2+]CCCS(C)(=O)=O)C(=O)NC(C)(C)C ZINC000038048336 174058949 /nfs/dbraw/zinc/05/89/49/174058949.db2.gz MIMAALDCJISMEB-SECBINFHSA-N 1 0 264.391 0.314 10 0 CCAERO [NH3+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000038048509 174059577 /nfs/dbraw/zinc/05/95/77/174059577.db2.gz HZKAEZPLBAUEHC-HBNTYKKESA-N 1 0 274.386 0.197 10 0 CCAERO c1cc(C[NH2+]C[C@H]2COCCO2)cc2c1OCO2 ZINC000038060133 174069945 /nfs/dbraw/zinc/06/99/45/174069945.db2.gz BFWINDDHRMQDOL-NSHDSACASA-N 1 0 251.282 0.920 10 0 CCAERO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000038083328 174092748 /nfs/dbraw/zinc/09/27/48/174092748.db2.gz XKGHREMCAPGLPT-NDBYEHHHSA-N 1 0 274.430 0.739 10 0 CCAERO COc1ccc(C[NH3+])cc1O[C@H]1CCS(=O)(=O)C1 ZINC000038084427 174094231 /nfs/dbraw/zinc/09/42/31/174094231.db2.gz KQTSCVCRUDIMOP-JTQLQIEISA-N 1 0 271.338 0.720 10 0 CCAERO C[NH2+]Cc1ccc(O[C@H]2CCS(=O)(=O)C2)cc1 ZINC000038084463 174094509 /nfs/dbraw/zinc/09/45/09/174094509.db2.gz YPOPYOZQCFUJBW-LBPRGKRZSA-N 1 0 255.339 0.972 10 0 CCAERO COC(=O)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH2+]C1 ZINC000038101868 174117594 /nfs/dbraw/zinc/11/75/94/174117594.db2.gz MOGOMXHVZWLQQV-NEPJUHHUSA-N 1 0 268.357 0.930 10 0 CCAERO CC[C@H](C)[NH2+]CC(=O)N1CCN(C(=O)OC)CC1 ZINC000038101850 174117997 /nfs/dbraw/zinc/11/79/97/174117997.db2.gz WJWUBRSXMKTKEI-JTQLQIEISA-N 1 0 257.334 0.285 10 0 CCAERO CCC[NH+]1CCC(N(C)S(=O)(=O)c2cn[nH]c2)CC1 ZINC000038102154 174118369 /nfs/dbraw/zinc/11/83/69/174118369.db2.gz BIBZYWSJSKWGAL-UHFFFAOYSA-N 1 0 286.401 0.905 10 0 CCAERO CNc1ncnc(NCC[NH+]2CCCCC2)c1N ZINC000040706897 174379349 /nfs/dbraw/zinc/37/93/49/174379349.db2.gz RFZWZDZSDALMCA-UHFFFAOYSA-N 1 0 250.350 0.998 10 0 CCAERO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1nn(C)cc1Br ZINC000662779595 414787679 /nfs/dbraw/zinc/78/76/79/414787679.db2.gz TULCUJWZZCNLTD-POYBYMJQSA-N 1 0 287.161 0.744 10 0 CCAERO CN1C[C@H](CNC(=O)CC2(C[NH3+])CCCCC2)CC1=O ZINC000662693301 414742151 /nfs/dbraw/zinc/74/21/51/414742151.db2.gz JEVUNUAJIRPUSI-LBPRGKRZSA-N 1 0 281.400 0.880 10 0 CCAERO O=C([C@H]1CNC(=O)C1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662843291 414836610 /nfs/dbraw/zinc/83/66/10/414836610.db2.gz RUBIBVHJMFEWHW-CHWSQXEVSA-N 1 0 279.384 0.361 10 0 CCAERO C[C@@H]1CCC[C@@H](CNC(=O)[C@@H]2C[NH2+]CCOC2)O1 ZINC000662875044 414859529 /nfs/dbraw/zinc/85/95/29/414859529.db2.gz NHKBPXKZLXDXFW-UTUOFQBUSA-N 1 0 256.346 0.296 10 0 CCAERO Cc1n[nH]cc1C(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662977167 414931940 /nfs/dbraw/zinc/93/19/40/414931940.db2.gz JZDKSBVTYSMZDR-SSDOTTSWSA-N 1 0 250.224 0.680 10 0 CCAERO Cc1[nH]nc(C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)c1C ZINC000662980252 414932537 /nfs/dbraw/zinc/93/25/37/414932537.db2.gz FWQIMKCKRFZANW-ZETCQYMHSA-N 1 0 264.251 0.988 10 0 CCAERO CN1C[C@H](CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1=O ZINC000662886308 414870458 /nfs/dbraw/zinc/87/04/58/414870458.db2.gz DHEHZPKKOUEPMU-GZMMTYOYSA-N 1 0 293.289 0.123 10 0 CCAERO CC[C@@]1(C(=O)NC[C@@H]2CC(=O)N(C)C2)CCC[NH2+]1 ZINC000662887346 414871324 /nfs/dbraw/zinc/87/13/24/414871324.db2.gz XNPJPQXZUOVTSF-GWCFXTLKSA-N 1 0 253.346 0.113 10 0 CCAERO CCN(CC(=O)NC(C)C)C(=O)C[C@H]1CCCC[NH2+]1 ZINC000042388299 174705443 /nfs/dbraw/zinc/70/54/43/174705443.db2.gz PTXGGQFYEANRRP-GFCCVEGCSA-N 1 0 269.389 0.892 10 0 CCAERO CCS(=O)(=O)C1(CNC(=O)C2CCC([NH3+])CC2)CC1 ZINC000662917462 414890477 /nfs/dbraw/zinc/89/04/77/414890477.db2.gz ROLIKEQCAIQERC-UHFFFAOYSA-N 1 0 288.413 0.587 10 0 CCAERO NC(=O)[C@@H]1CCCCN1C(=O)C[C@@H]1CCCC[NH2+]1 ZINC000042406625 174712916 /nfs/dbraw/zinc/71/29/16/174712916.db2.gz OUNIRHKCMIVGKF-QWRGUYRKSA-N 1 0 253.346 0.385 10 0 CCAERO [NH3+]C1CCC(C(=O)N2CC[C@@H]3COC[C@@H]3C2)CC1 ZINC000662920054 414892456 /nfs/dbraw/zinc/89/24/56/414892456.db2.gz RLPYBTPWZUWGPQ-QBHFIFKDSA-N 1 0 252.358 0.999 10 0 CCAERO CNS(=O)(=O)c1ccc(N(C)C[C@@H](C)C[NH3+])cc1 ZINC000042455724 174747295 /nfs/dbraw/zinc/74/72/95/174747295.db2.gz DQNLNLSQQRZNJW-JTQLQIEISA-N 1 0 271.386 0.626 10 0 CCAERO CC(C)[NH2+]CCCS(=O)(=O)N(CCO)C(C)C ZINC000042481198 174758196 /nfs/dbraw/zinc/75/81/96/174758196.db2.gz VJYBNSOROHALTA-UHFFFAOYSA-N 1 0 266.407 0.407 10 0 CCAERO O=S(=O)(C[C@@H]1CCC[NH2+]C1)N(CCO)C1CCCC1 ZINC000042526733 174776604 /nfs/dbraw/zinc/77/66/04/174776604.db2.gz QFNJRJXHPNUBKG-GFCCVEGCSA-N 1 0 290.429 0.553 10 0 CCAERO CNC(=O)[C@@H](C)[NH2+]Cc1c(C)nc2sccn12 ZINC000042561756 174796984 /nfs/dbraw/zinc/79/69/84/174796984.db2.gz LQNOJGVUZFCUCW-MRVPVSSYSA-N 1 0 252.343 0.928 10 0 CCAERO C[C@@H]1CCCC[C@H]1CNS(=O)(=O)N(C)CCC[NH3+] ZINC000042866653 174895340 /nfs/dbraw/zinc/89/53/40/174895340.db2.gz CJRMTFPVQJKMKX-NEPJUHHUSA-N 1 0 277.434 0.928 10 0 CCAERO CCC[NH+]1CCC(NC(=O)c2c(C)[nH]nc2N)CC1 ZINC000044388995 175170463 /nfs/dbraw/zinc/17/04/63/175170463.db2.gz KXSGDLHFMGUUST-UHFFFAOYSA-N 1 0 265.361 0.905 10 0 CCAERO [NH3+][C@H]1CCN(c2ccc(-c3nc(C4CC4)no3)nn2)C1 ZINC000070458457 175941084 /nfs/dbraw/zinc/94/10/84/175941084.db2.gz SQUYHAVIZUISRB-VIFPVBQESA-N 1 0 272.312 0.941 10 0 CCAERO CC[C@@H](C)NC(=O)[C@H](C)N(CCC[NH3+])CCOC ZINC000071224820 176089042 /nfs/dbraw/zinc/08/90/42/176089042.db2.gz OSNHMITVXOQEIU-NEPJUHHUSA-N 1 0 259.394 0.587 10 0 CCAERO COCCCS(=O)(=O)N1CCC[C@H]1C1CC[NH2+]CC1 ZINC000071235725 176093330 /nfs/dbraw/zinc/09/33/30/176093330.db2.gz RYFCRUKILDRRSB-ZDUSSCGKSA-N 1 0 290.429 0.817 10 0 CCAERO Cc1ccc(CN(C)C(=O)CN(C)[C@H]2CC[NH2+]C2)o1 ZINC000071311255 176118289 /nfs/dbraw/zinc/11/82/89/176118289.db2.gz RAEAXLHYCLOWNO-LBPRGKRZSA-N 1 0 265.357 0.840 10 0 CCAERO Cn1c(C[NH3+])nnc1SCC(=O)Nc1nccs1 ZINC000071373903 176138859 /nfs/dbraw/zinc/13/88/59/176138859.db2.gz PSOGHCMPNRPQAI-UHFFFAOYSA-N 1 0 284.370 0.461 10 0 CCAERO CC(C)n1c(C[NH3+])nnc1SCc1ncno1 ZINC000071374427 176139480 /nfs/dbraw/zinc/13/94/80/176139480.db2.gz ZJQWDFIXORJRMQ-UHFFFAOYSA-N 1 0 254.319 0.993 10 0 CCAERO COc1cccc(CC[C@@H](CO)N2CC[NH2+]CC2)c1 ZINC000071596936 176220136 /nfs/dbraw/zinc/22/01/36/176220136.db2.gz IMHUUBODESMTEB-AWEZNQCLSA-N 1 0 264.369 0.894 10 0 CCAERO NC(=O)C[N@@H+]1CC[C@@H](Cc2cccc(C(N)=O)c2)C1 ZINC000072163634 176330569 /nfs/dbraw/zinc/33/05/69/176330569.db2.gz WIDMXOUZZMGFAI-NSHDSACASA-N 1 0 261.325 0.135 10 0 CCAERO O=[S@]1CC[NH2+][C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000076699208 177061539 /nfs/dbraw/zinc/06/15/39/177061539.db2.gz JSWFSLOAWWCYIU-RDTXWAMCSA-N 1 0 264.394 0.983 10 0 CCAERO CCCS(=O)(=O)N1CC2(C[NH2+]C2)C(F)(F)C1 ZINC000685948495 545871598 /nfs/dbraw/zinc/87/15/98/545871598.db2.gz ACVZSSHGMWQXCQ-UHFFFAOYSA-N 1 0 254.302 0.267 10 0 CCAERO Cc1ccc(C(N)=[NH2+])c(-n2cc(S(C)(=O)=O)cn2)n1 ZINC000725250899 545875309 /nfs/dbraw/zinc/87/53/09/545875309.db2.gz AUAQGOWSIJQTGA-UHFFFAOYSA-N 1 0 279.325 0.263 10 0 CCAERO CC[NH2+][C@H]1CCOC[C@H]1n1cc(S(C)(=O)=O)cn1 ZINC000725251665 545876525 /nfs/dbraw/zinc/87/65/25/545876525.db2.gz DCEVUPDBEYIDRS-WDEREUQCSA-N 1 0 273.358 0.226 10 0 CCAERO CS(=O)(=O)c1cnn([C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000725251766 545876787 /nfs/dbraw/zinc/87/67/87/545876787.db2.gz GVMGUJZZVYQZOK-GXSJLCMTSA-N 1 0 257.359 0.977 10 0 CCAERO C[C@@H]1CC[C@H]([NH3+])[C@H](n2cc(S(C)(=O)=O)cn2)C1 ZINC000725253830 545877973 /nfs/dbraw/zinc/87/79/73/545877973.db2.gz ZVCXIVOVQFOLQL-DVVUODLYSA-N 1 0 257.359 0.975 10 0 CCAERO CC(C)C[C@@H]([NH3+])[C@@H](CO)n1cc(S(C)(=O)=O)cn1 ZINC000725253434 545878176 /nfs/dbraw/zinc/87/81/76/545878176.db2.gz VIQHAYLNALDLOE-GHMZBOCLSA-N 1 0 275.374 0.193 10 0 CCAERO CC[NH2+]C[C@H](O)CCCn1cc(S(C)(=O)=O)cn1 ZINC000725252942 545879034 /nfs/dbraw/zinc/87/90/34/545879034.db2.gz PVWNAZKTZDDXME-SNVBAGLBSA-N 1 0 275.374 0.037 10 0 CCAERO CCC[C@H](C)C(=O)NC[C@H]1OC(=O)CC12C[NH2+]C2 ZINC000725263402 545883074 /nfs/dbraw/zinc/88/30/74/545883074.db2.gz ZHEGOWURDBPGSI-VHSXEESVSA-N 1 0 254.330 0.444 10 0 CCAERO CCS(=O)(=O)N[C@H]1CC[NH2+]CC[C@H]1C(F)(F)F ZINC000725262512 545882212 /nfs/dbraw/zinc/88/22/12/545882212.db2.gz CTQYWJBOTDWADL-SFYZADRCSA-N 1 0 274.308 0.856 10 0 CCAERO CC(C)(C)[S@@](N)(=O)=Nc1ccnn1C1C[NH2+]C1 ZINC000725258671 545882261 /nfs/dbraw/zinc/88/22/61/545882261.db2.gz WYIWNPCFZYOMQC-KRWDZBQOSA-N 1 0 257.363 0.799 10 0 CCAERO C[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000407962282 287498090 /nfs/dbraw/zinc/49/80/90/287498090.db2.gz MTBDOVTWCUZSPW-IJLUTSLNSA-N 1 0 267.373 0.489 10 0 CCAERO CC(=O)N[C@@H]1CCCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000037815318 544423207 /nfs/dbraw/zinc/42/32/07/544423207.db2.gz GZLSZPPPGUHDKD-GFCCVEGCSA-N 1 0 253.346 0.256 10 0 CCAERO CCOC1CCN(C(=O)[C@H]2C[C@@H](OC)C[NH2+]2)CC1 ZINC000040690009 544425775 /nfs/dbraw/zinc/42/57/75/544425775.db2.gz YXNHBWNAIQKASH-VXGBXAGGSA-N 1 0 256.346 0.391 10 0 CCAERO O=C(C[C@H]1CCC[NH2+]C1)N1CC[C@@H](N2CCOCC2)C1 ZINC000062976839 544447507 /nfs/dbraw/zinc/44/75/07/544447507.db2.gz RBTCMDMRFXFXQI-ZIAGYGMSSA-N 1 0 281.400 0.309 10 0 CCAERO O=C1[C@H](N2CC[NH2+]CC2)CCN1Cc1cccnc1 ZINC000082569624 544485423 /nfs/dbraw/zinc/48/54/23/544485423.db2.gz JIDIXIRKQBTGAV-CYBMUJFWSA-N 1 0 260.341 0.088 10 0 CCAERO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1nnc2n1CCC2 ZINC000089451506 544512815 /nfs/dbraw/zinc/51/28/15/544512815.db2.gz RMNNITVSDCJIOX-HBNTYKKESA-N 1 0 277.372 0.777 10 0 CCAERO CN(Cc1cnn(C)c1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089455447 544513162 /nfs/dbraw/zinc/51/31/62/544513162.db2.gz PAAIJWKOZJLUQO-NWDGAFQWSA-N 1 0 250.346 0.754 10 0 CCAERO CN(CC(=O)N1CCCC1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089457285 544514060 /nfs/dbraw/zinc/51/40/60/544514060.db2.gz YVJPZPNMKGFMOY-NEPJUHHUSA-N 1 0 267.373 0.442 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000089462807 544514093 /nfs/dbraw/zinc/51/40/93/544514093.db2.gz FCBQKTZDEQLQJC-HBNTYKKESA-N 1 0 274.386 0.055 10 0 CCAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CCN(C2CC2)CC1 ZINC000089457984 544514406 /nfs/dbraw/zinc/51/44/06/544514406.db2.gz FQPWSFKOKKFDIB-YPMHNXCESA-N 1 0 251.374 0.668 10 0 CCAERO CC(C)(CNC(=O)[C@H]1CCC[C@H]1C[NH3+])N1CCOCC1 ZINC000089459360 544514448 /nfs/dbraw/zinc/51/44/48/544514448.db2.gz SEWYUGAJVZZPAA-STQMWFEESA-N 1 0 283.416 0.588 10 0 CCAERO CCOc1cc(NCCCN2CC[NH2+]CC2)nc(C)n1 ZINC000090787800 544524127 /nfs/dbraw/zinc/52/41/27/544524127.db2.gz KTTQPIBZBNIAJE-UHFFFAOYSA-N 1 0 279.388 0.891 10 0 CCAERO CN(C)C(=O)c1ccc(NCCOCCC[NH3+])nc1 ZINC000630537667 419467058 /nfs/dbraw/zinc/46/70/58/419467058.db2.gz OURCKNWQXKVYIM-UHFFFAOYSA-N 1 0 266.345 0.561 10 0 CCAERO CCN1CCO[C@H](C[NH2+]Cc2cc(C(N)=O)cs2)C1 ZINC000133950699 544628426 /nfs/dbraw/zinc/62/84/26/544628426.db2.gz GCAHOOUYHKAREE-LLVKDONJSA-N 1 0 283.397 0.657 10 0 CCAERO CC[C@@H](O)CC[NH2+]C[C@H](O)COCc1ccco1 ZINC000135051831 544632894 /nfs/dbraw/zinc/63/28/94/544632894.db2.gz MASQYXGZROSICV-NEPJUHHUSA-N 1 0 257.330 0.908 10 0 CCAERO C[C@@H]1OCC[C@@H]1[NH2+]C[C@H](O)COCc1ccco1 ZINC000149649269 544648158 /nfs/dbraw/zinc/64/81/58/544648158.db2.gz HXFPCLMPUKUKDB-GVXVVHGQSA-N 1 0 255.314 0.924 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCCNC(=O)C1CC1 ZINC000157913716 544685716 /nfs/dbraw/zinc/68/57/16/544685716.db2.gz OFDWPDNGUKVRPL-WDEREUQCSA-N 1 0 253.346 0.004 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CC[C@@H]2CCCO2)C1 ZINC000155699965 544675993 /nfs/dbraw/zinc/67/59/93/544675993.db2.gz JPHMWKPZYNUDHR-OLZOCXBDSA-N 1 0 290.429 0.959 10 0 CCAERO Cn1cnnc1CCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000136208065 544638268 /nfs/dbraw/zinc/63/82/68/544638268.db2.gz BRDWFDPBAVJTGE-LBPRGKRZSA-N 1 0 251.334 0.006 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000136375641 544638598 /nfs/dbraw/zinc/63/85/98/544638598.db2.gz OBACBFAMZHAIKC-KBPBESRZSA-N 1 0 283.416 0.683 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)NCc1cccc(S(N)(=O)=O)c1 ZINC000136364331 544639574 /nfs/dbraw/zinc/63/95/74/544639574.db2.gz RVJWRYABGOHQBI-LBPRGKRZSA-N 1 0 299.396 0.324 10 0 CCAERO C[C@@H]1CN(C(=O)c2nn(C)c3ccccc32)C[C@@H]1[NH3+] ZINC000137391229 544642525 /nfs/dbraw/zinc/64/25/25/544642525.db2.gz YWZFZFTTYKFJTD-KOLCDFICSA-N 1 0 258.325 0.993 10 0 CCAERO CC[C@H]1CN(C(=O)C2([NH3+])CCCC2)CCN1CCOC ZINC000178776806 544748906 /nfs/dbraw/zinc/74/89/06/544748906.db2.gz GGECZNPYRMIPCQ-ZDUSSCGKSA-N 1 0 283.416 0.827 10 0 CCAERO CNC(=O)[C@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)C(C)C ZINC000183683160 544770263 /nfs/dbraw/zinc/77/02/63/544770263.db2.gz QSWGGVWULIGNEO-TZMCWYRMSA-N 1 0 298.358 0.926 10 0 CCAERO CNC(=O)[C@H]([NH2+]CC(=O)N(CC(C)C)C1CC1)C(C)C ZINC000183657991 544770515 /nfs/dbraw/zinc/77/05/15/544770515.db2.gz HKHFKGSHSUWKMO-CQSZACIVSA-N 1 0 283.416 0.994 10 0 CCAERO CNC(=O)[C@H](C)CN(C)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000227431696 544834403 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CC(C)[C@@H]([NH3+])CC(=O)N[C@@H](C)C(=O)NC(C)(C)C ZINC000229070532 544846784 /nfs/dbraw/zinc/84/67/84/544846784.db2.gz LRXLUROMNFJJKF-UWVGGRQHSA-N 1 0 257.378 0.779 10 0 CCAERO Cn1nc(C(=O)NC[C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000231914739 544861532 /nfs/dbraw/zinc/86/15/32/544861532.db2.gz BFZZMZGBTYFBPR-SNVBAGLBSA-N 1 0 258.325 0.913 10 0 CCAERO C[C@]1(C(N)=O)CCN(C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000235726906 544877906 /nfs/dbraw/zinc/87/79/06/544877906.db2.gz KNHSOEJKKLZCJH-GWCFXTLKSA-N 1 0 253.346 0.100 10 0 CCAERO CC[C@@H]1CN(Cc2cncnc2)CC[N@@H+]1C[C@H](C)O ZINC000245796931 544907043 /nfs/dbraw/zinc/90/70/43/544907043.db2.gz XEMUCTGHAXCODS-GXTWGEPZSA-N 1 0 264.373 0.754 10 0 CCAERO CC[C@@H]1CN(C(=O)NC2CCOCC2)CC[N@@H+]1C[C@H](C)O ZINC000247356731 544911904 /nfs/dbraw/zinc/91/19/04/544911904.db2.gz ILWMUBORQRMBLH-GXTWGEPZSA-N 1 0 299.415 0.652 10 0 CCAERO C[C@H]([NH2+]C[C@H](O)COC[C@H]1CCCO1)[C@H]1CCCO1 ZINC000249683360 544920511 /nfs/dbraw/zinc/92/05/11/544920511.db2.gz 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280.372 0.936 10 0 CCAERO CC[N@H+](CC(=O)N1CCO[C@@H](Cn2cccn2)C1)C1CC1 ZINC000152476412 276081045 /nfs/dbraw/zinc/08/10/45/276081045.db2.gz SQPQWUSVPXVGLS-CQSZACIVSA-N 1 0 292.383 0.595 10 0 CCAERO CC1(C)CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000334595703 276112089 /nfs/dbraw/zinc/11/20/89/276112089.db2.gz LLEJVUZQDUXZFE-MNOVXSKESA-N 1 0 267.373 0.631 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)C[C@@H]1CCOC1 ZINC000175397995 276169921 /nfs/dbraw/zinc/16/99/21/276169921.db2.gz LVGRFDLOYHPPJS-CHWSQXEVSA-N 1 0 290.429 0.769 10 0 CCAERO CC1CC[NH+](CCN2CCC[C@](O)(C(N)=O)C2)CC1 ZINC000346568722 276197229 /nfs/dbraw/zinc/19/72/29/276197229.db2.gz MBBOLVJPMVJATG-CQSZACIVSA-N 1 0 269.389 0.031 10 0 CCAERO CCCCOC[C@H](O)C[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000300291968 276238575 /nfs/dbraw/zinc/23/85/75/276238575.db2.gz CJFHRFDYGZRVDL-QWHCGFSZSA-N 1 0 270.373 0.471 10 0 CCAERO CCCC[C@@H](C(=O)OC)N1CCO[C@H](C[NH+](C)C)C1 ZINC000105924044 276239282 /nfs/dbraw/zinc/23/92/82/276239282.db2.gz 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C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055088773 524568159 /nfs/dbraw/zinc/56/81/59/524568159.db2.gz SWFHKDZYTOEJQS-KKOKHZNYSA-N 1 0 267.373 0.616 10 0 CCAERO C[C@@H](CNC(=O)N1CC[C@H]([NH+](C)C)C1)CN1CCOCC1 ZINC000163426058 524668412 /nfs/dbraw/zinc/66/84/12/524668412.db2.gz KTGZJIGJFRKDMC-KBPBESRZSA-N 1 0 298.431 0.300 10 0 CCAERO COc1ccc(NS(=O)(=O)C2CC[NH2+]CC2)cn1 ZINC000049631773 524683722 /nfs/dbraw/zinc/68/37/22/524683722.db2.gz PIVDILDHQPWBIE-UHFFFAOYSA-N 1 0 271.342 0.584 10 0 CCAERO Cc1cc([C@@H](C(N)=O)N2CC[NH2+]CC2)ccc1F ZINC000050558936 525445448 /nfs/dbraw/zinc/44/54/48/525445448.db2.gz TWZLMHQWAGWPPU-LBPRGKRZSA-N 1 0 251.305 0.566 10 0 CCAERO CSCC[C@@H]([NH3+])C(=O)NC[C@@H](O)COCC(C)C ZINC000157392054 525542046 /nfs/dbraw/zinc/54/20/46/525542046.db2.gz WDUUWKYFQSIGPS-GHMZBOCLSA-N 1 0 278.418 0.217 10 0 CCAERO C[C@H](CC(N)=[NH2+])N(C)c1ccnc(C(=O)N(C)C)c1 ZINC000063092526 526219080 /nfs/dbraw/zinc/21/90/80/526219080.db2.gz OYRHGVIAXGNFSY-SECBINFHSA-N 1 0 263.345 0.934 10 0 CCAERO C[NH2+]CC(=O)Nc1cccc(-c2nnc(C)n2C)c1 ZINC000262740783 536441621 /nfs/dbraw/zinc/44/16/21/536441621.db2.gz CANLSKOKLSHVEW-UHFFFAOYSA-N 1 0 259.313 0.948 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc(OC2CCC2)cc1 ZINC000262275870 526554081 /nfs/dbraw/zinc/55/40/81/526554081.db2.gz NJXQMYSFTIEJKG-SWLSCSKDSA-N 1 0 290.363 0.928 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cccc(F)c1Cl ZINC000262399007 526623051 /nfs/dbraw/zinc/62/30/51/526623051.db2.gz YLMNHYHEHDUQKE-GMSGAONNSA-N 1 0 272.707 0.789 10 0 CCAERO Cc1nc(CN(C)[C@H]2CS(=O)(=O)C[C@@H]2[NH3+])cs1 ZINC000054493707 526845872 /nfs/dbraw/zinc/84/58/72/526845872.db2.gz AKEDVKQAYSVFRG-UWVGGRQHSA-N 1 0 275.399 0.008 10 0 CCAERO O=C1C[C@H]([NH2+]C[C@@H]2CCOC2)C(=O)N1C1CCCC1 ZINC000061146619 527029083 /nfs/dbraw/zinc/02/90/83/527029083.db2.gz OBDLAHONCIGZJD-JQWIXIFHSA-N 1 0 266.341 0.683 10 0 CCAERO [NH3+]C[C@@H]1CC[C@H](Cn2nnc(-c3ccccc3)n2)O1 ZINC000052574658 527219544 /nfs/dbraw/zinc/21/95/44/527219544.db2.gz HEYJASMDTFRHJH-NWDGAFQWSA-N 1 0 259.313 0.846 10 0 CCAERO Cn1ccnc(N2CCC([C@@H]3CCC[NH2+]3)CC2)c1=O ZINC000063201570 527413889 /nfs/dbraw/zinc/41/38/89/527413889.db2.gz UDJYNNMGFHJTMX-LBPRGKRZSA-N 1 0 262.357 0.749 10 0 CCAERO Cn1ccnc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1=O ZINC000182725716 527414363 /nfs/dbraw/zinc/41/43/63/527414363.db2.gz WWAKZVFKXDDTQE-NSHDSACASA-N 1 0 291.355 0.482 10 0 CCAERO O=C([O-])C[N@@H+]1CCCN(CC[NH+]2CCCCC2)CC1 ZINC000061146506 527609567 /nfs/dbraw/zinc/60/95/67/527609567.db2.gz QZVDQVHZNNFMRT-UHFFFAOYSA-N 1 0 269.389 0.565 10 0 CCAERO CCOc1cc(C[NH2+][C@@H]2CCNC2=O)ccc1O ZINC000668425278 545176785 /nfs/dbraw/zinc/17/67/85/545176785.db2.gz NMRDEUOVAUKFLE-SNVBAGLBSA-N 1 0 250.298 0.769 10 0 CCAERO CCCCOC[C@H](O)C[NH2+]C(C)(C)CN1CCOCC1 ZINC000308647728 528626737 /nfs/dbraw/zinc/62/67/37/528626737.db2.gz NLXBAANORBZUAD-CQSZACIVSA-N 1 0 288.432 0.864 10 0 CCAERO CC(C)n1cc(C[N@@H+]2CC[C@](O)(Cn3ccnn3)C2)cn1 ZINC000671491287 545249599 /nfs/dbraw/zinc/24/95/99/545249599.db2.gz AWRCNWRLQAFHOA-CQSZACIVSA-N 1 0 290.371 0.693 10 0 CCAERO CC(C)N(C)c1ccc(CNC[C@H]2C[NH2+]C[C@@H]2O)cn1 ZINC000263115344 535030697 /nfs/dbraw/zinc/03/06/97/535030697.db2.gz APLMUPJUDYCRTE-KBPBESRZSA-N 1 0 278.400 0.596 10 0 CCAERO CC(C)S(=O)(=O)CC[N@@H+]1CCCC[C@@H](CO)C1 ZINC000370166668 535093116 /nfs/dbraw/zinc/09/31/16/535093116.db2.gz FMOFVIUCBPFPID-GFCCVEGCSA-N 1 0 263.403 0.904 10 0 CCAERO C[C@H]1CN(C[C@@H]2CC[C@H](C[NH3+])O2)C[C@H](C)S1(=O)=O ZINC000675058864 545320586 /nfs/dbraw/zinc/32/05/86/545320586.db2.gz AUTUZVMRYWNKKS-YFKTTZPYSA-N 1 0 276.402 0.000 10 0 CCAERO CN(Cc1nn(C)cc1C=O)C1CC[NH+](C)CC1 ZINC000675055279 545320651 /nfs/dbraw/zinc/32/06/51/545320651.db2.gz YYSXDFMXTKZCHU-UHFFFAOYSA-N 1 0 250.346 0.759 10 0 CCAERO CCC[C@]1(CNS(=O)(=O)C(C)C)C[NH2+]CCO1 ZINC000675057674 545320763 /nfs/dbraw/zinc/32/07/63/545320763.db2.gz HYPSSFOMFXZMSL-LLVKDONJSA-N 1 0 264.391 0.473 10 0 CCAERO [NH3+]C[C@@]12CN(C(=O)CC3CC3)C[C@@H]1S(=O)(=O)CCC2 ZINC000675073418 545321118 /nfs/dbraw/zinc/32/11/18/545321118.db2.gz PFEYKZPMYQVQDQ-AAEUAGOBSA-N 1 0 286.397 0.151 10 0 CCAERO Cn1cc(Br)c(CC2=C[C@@H](N)C[NH2+]C2)n1 ZINC000675079036 545321192 /nfs/dbraw/zinc/32/11/92/545321192.db2.gz VEPXTCHAXSBVLF-MRVPVSSYSA-N 1 0 271.162 0.582 10 0 CCAERO CCC[C@H](C(=O)N1CC(NC(=O)C2CC2)C1)[NH+](C)C ZINC000189459093 535577047 /nfs/dbraw/zinc/57/70/47/535577047.db2.gz VBLHYMVEHIWKEC-GFCCVEGCSA-N 1 0 267.373 0.454 10 0 CCAERO C[NH2+][C@H](C)CNC(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000261613031 536401563 /nfs/dbraw/zinc/40/15/63/536401563.db2.gz AJIRIQACNWYBMG-SECBINFHSA-N 1 0 277.303 0.744 10 0 CCAERO COC[C@@H]([NH3+])C(=O)NC[C@H](O)c1cccc(OC(C)C)c1 ZINC000262331027 536661190 /nfs/dbraw/zinc/66/11/90/536661190.db2.gz RRYWGAQHTCJMRW-KGLIPLIRSA-N 1 0 296.367 0.597 10 0 CCAERO COC[C@@H]([NH3+])C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000262340787 536673610 /nfs/dbraw/zinc/67/36/10/536673610.db2.gz STPWCWVHCFPLPT-SECBINFHSA-N 1 0 252.318 0.686 10 0 CCAERO COC(=O)c1ccc(C[N@@H+]2C[C@@H](OC)C[C@H]2CO)nc1 ZINC000312725598 536679065 /nfs/dbraw/zinc/67/90/65/536679065.db2.gz RPJKIPBBKPKUKJ-STQMWFEESA-N 1 0 280.324 0.450 10 0 CCAERO COC(=O)c1ccc(N2CCC[C@@H](C)[C@@H]2C[NH3+])nn1 ZINC000226346699 536733038 /nfs/dbraw/zinc/73/30/38/536733038.db2.gz BEUNJCVXSHATDA-KOLCDFICSA-N 1 0 264.329 0.827 10 0 CCAERO COCc1nc(CNC[C@@]2(O)CC[N@H+](C)C2)cs1 ZINC000680815531 545435028 /nfs/dbraw/zinc/43/50/28/545435028.db2.gz RXGUCELKPZGJAF-LBPRGKRZSA-N 1 0 271.386 0.446 10 0 CCAERO COc1ccc2nc(CNC[C@H]3C[NH2+]C[C@H]3O)sc2c1 ZINC000263212650 537053649 /nfs/dbraw/zinc/05/36/49/537053649.db2.gz KKWNXCHHHGYESO-BXKDBHETSA-N 1 0 293.392 0.975 10 0 CCAERO COc1ccccc1N1CC[C@H](NC(=O)C2C[NH2+]C2)C1 ZINC000262185269 537075105 /nfs/dbraw/zinc/07/51/05/537075105.db2.gz FDOWUHDRZUMOQU-LBPRGKRZSA-N 1 0 275.352 0.610 10 0 CCAERO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+]2CC[C@H](O)C[C@H]12 ZINC000085488531 560075725 /nfs/dbraw/zinc/07/57/25/560075725.db2.gz AOOCSKCGZYCEJX-ZJQBRPOHSA-N 1 0 260.337 0.791 10 0 biogenic,in-vitro CCAERO CCOc1cc(N2CCO[C@@H]([C@@H](C)[NH3+])C2)nc(C)n1 ZINC000132893288 581151933 /nfs/dbraw/zinc/15/19/33/581151933.db2.gz HTENYQRLLNTJJI-MWLCHTKSSA-N 1 0 266.345 0.736 10 0 CCAERO Cn1ncc(Cl)c1C[NH2+][C@H]1CCCN(CCO)C1 ZINC000394603701 581180360 /nfs/dbraw/zinc/18/03/60/581180360.db2.gz LQOPFNAORNBLAS-JTQLQIEISA-N 1 0 272.780 0.620 10 0 CCAERO C[C@H]([NH2+]C1CCN(CCO)CC1)[C@H]1CCCOC1 ZINC000399212882 581208281 /nfs/dbraw/zinc/20/82/81/581208281.db2.gz YMMGBNBUFMRBMF-STQMWFEESA-N 1 0 256.390 0.848 10 0 CCAERO O[C@@]1(c2cn[nH]n2)CCC[N@H+](Cc2ccncc2)C1 ZINC000794010595 581329027 /nfs/dbraw/zinc/32/90/27/581329027.db2.gz UELXHFJUTPCEHZ-ZDUSSCGKSA-N 1 0 259.313 0.683 10 0 CCAERO [NH3+][C@H](CS(=O)(=O)N1CCCCC1)c1cccnc1 ZINC000757147641 581680795 /nfs/dbraw/zinc/68/07/95/581680795.db2.gz CUVJECGLCHZUQY-GFCCVEGCSA-N 1 0 269.370 0.897 10 0 CCAERO CC(C)C[C@H]([NH3+])CS(=O)(=O)N1CCOCC1 ZINC000757153112 581696994 /nfs/dbraw/zinc/69/69/94/581696994.db2.gz NGDXJXZUHZHQIG-JTQLQIEISA-N 1 0 250.364 0.022 10 0 CCAERO CS(=O)(=O)CC[N@@H+]1CCC[C@@]12CN1CCC2CC1 ZINC000757130992 581940376 /nfs/dbraw/zinc/94/03/76/581940376.db2.gz OWSWRSCSQSWJRP-ZDUSSCGKSA-N 1 0 272.414 0.591 10 0 CCAERO CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000895764120 613981873 /nfs/dbraw/zinc/98/18/73/613981873.db2.gz FMARLCVBOJIWRI-OLZOCXBDSA-N 1 0 281.400 0.986 10 0 CCAERO CC(C)(CNC(=[NH2+])NC1CCCCC1)NS(C)(=O)=O ZINC000104407040 614091257 /nfs/dbraw/zinc/09/12/57/614091257.db2.gz ZSQMMUVRAZZVEE-UHFFFAOYSA-N 1 0 290.433 0.761 10 0 CCAERO CCCCOC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)OC)C1 ZINC000300296222 614451781 /nfs/dbraw/zinc/45/17/81/614451781.db2.gz VWZNRWYLFPCKRE-RYUDHWBXSA-N 1 0 274.361 0.594 10 0 CCAERO COC(=O)[C@@H]1CCCCN1C(=O)[C@H]([NH3+])CC1CC1 ZINC000302694954 616282850 /nfs/dbraw/zinc/28/28/50/616282850.db2.gz UJEPLANPPZJSDC-MNOVXSKESA-N 1 0 254.330 0.668 10 0 CCAERO COC(=O)/C(C)=C\C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000214559520 616295749 /nfs/dbraw/zinc/29/57/49/616295749.db2.gz PITUXEJVUOKHOP-RPHDBTCBSA-N 1 0 268.357 0.512 10 0 CCAERO C[NH2+][C@H]1CCCN(C(=O)[C@@H](CC(C)C)NC(=O)OC)C1 ZINC000133341537 617052884 /nfs/dbraw/zinc/05/28/84/617052884.db2.gz ACPQDUBRCFQXJL-NWDGAFQWSA-N 1 0 285.388 0.968 10 0 CCAERO COC(=O)[C@@H]1CN(C[C@@H](O)C[NH+]2CCCC2)C[C@@H]1C ZINC000312068585 625362506 /nfs/dbraw/zinc/36/25/06/625362506.db2.gz MFQGOGOXACGMCK-RWMBFGLXSA-N 1 0 270.373 0.184 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1n[nH]nc1C ZINC000194237399 625579746 /nfs/dbraw/zinc/57/97/46/625579746.db2.gz DBSXLNMMOJMYAS-GHMZBOCLSA-N 1 0 263.345 0.812 10 0 CCAERO NC(=O)COc1ccc(CN2CCCC[C@H]2C[NH3+])cc1 ZINC000044540082 622696841 /nfs/dbraw/zinc/69/68/41/622696841.db2.gz DRRZICRQSRENSQ-ZDUSSCGKSA-N 1 0 277.368 0.864 10 0 CCAERO CC[NH2+][C@@H](Cn1nc(C)c(Br)c1C)C(N)=O ZINC000050594933 622834610 /nfs/dbraw/zinc/83/46/10/622834610.db2.gz RIVLJTNBBWNQAB-QMMMGPOBSA-N 1 0 289.177 0.726 10 0 CCAERO C[S@](=O)CC[NH2+]C[C@@H](O)COCc1ccco1 ZINC000158108153 623025774 /nfs/dbraw/zinc/02/57/74/623025774.db2.gz IJGMULSMUHLKHU-BMLIUANNSA-N 1 0 261.343 0.125 10 0 CCAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CSCCS2)C1 ZINC000177099845 623329098 /nfs/dbraw/zinc/32/90/98/623329098.db2.gz ATFKODKXDHOMBM-ZJUUUORDSA-N 1 0 260.428 0.998 10 0 CCAERO CCOC(=O)c1cnc(N(C)C[C@H](C)[NH3+])nc1C ZINC000310953932 623604924 /nfs/dbraw/zinc/60/49/24/623604924.db2.gz ZXVHFFKDHCEBDE-QMMMGPOBSA-N 1 0 252.318 0.745 10 0 CCAERO Nc1nc(C2CC2)nc(N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000311885117 623810360 /nfs/dbraw/zinc/81/03/60/623810360.db2.gz VMEMFBRJGYBGPP-JTQLQIEISA-N 1 0 260.345 0.616 10 0 CCAERO [NH3+][C@H](CC1CC1)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000306112482 624606412 /nfs/dbraw/zinc/60/64/12/624606412.db2.gz WVCXNSWJRYDQKJ-QWHCGFSZSA-N 1 0 251.374 0.811 10 0 CCAERO CC1(C)COC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000313068625 625737252 /nfs/dbraw/zinc/73/72/52/625737252.db2.gz WVBNJOHGSKAPIW-STQMWFEESA-N 1 0 256.390 0.848 10 0 CCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCCN1CCOC1=O ZINC000178499182 630993369 /nfs/dbraw/zinc/99/33/69/630993369.db2.gz QRBXQRPEMBCWDK-VHSXEESVSA-N 1 0 257.334 0.318 10 0 CCAERO CCC[NH2+][C@@H](C)c1nc([C@H]2CN3CCN2CC3)no1 ZINC000094511730 631283204 /nfs/dbraw/zinc/28/32/04/631283204.db2.gz QUJUBHRJPOVKHG-WDEREUQCSA-N 1 0 265.361 0.803 10 0 CCAERO [NH3+]C[C@@H]1CCCC[C@@H]1c1nc([C@@H]2CN3CCN2CC3)no1 ZINC000094506550 631366350 /nfs/dbraw/zinc/36/63/50/631366350.db2.gz PFHBQNMEOVVVIZ-AVGNSLFASA-N 1 0 291.399 0.974 10 0 CCAERO COC(=O)CCCCCCNC(=O)[C@H]1CC[NH2+]C1 ZINC000237144436 631757111 /nfs/dbraw/zinc/75/71/11/631757111.db2.gz IRHSPNLBAPURIT-NSHDSACASA-N 1 0 256.346 0.836 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)C(F)(F)c1ccc(F)cc1 ZINC000262054265 631827190 /nfs/dbraw/zinc/82/71/90/631827190.db2.gz AJCVOFIXXFRTIO-GZMMTYOYSA-N 1 0 288.269 0.614 10 0 CCAERO [NH3+]C1CCN(CCNc2ncnc3nc[nH]c32)CC1 ZINC000321144405 632781145 /nfs/dbraw/zinc/78/11/45/632781145.db2.gz FJCDXRMCJARUPL-UHFFFAOYSA-N 1 0 261.333 0.188 10 0 CCAERO O=C([C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC[C@H]1c1nc[nH]n1 ZINC000899107550 633733685 /nfs/dbraw/zinc/73/36/85/633733685.db2.gz OCYCKXQRZTVGLC-GRYCIOLGSA-N 1 0 291.355 0.331 10 0 CCAERO Cc1ncc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)n1C ZINC000908095237 635279176 /nfs/dbraw/zinc/27/91/76/635279176.db2.gz CTBGBRDIAKOCBE-QWHCGFSZSA-N 1 0 278.356 0.274 10 0 CCAERO Cn1cccc1CN1CC[C@H](CO)[C@H]([NH+](C)C)C1 ZINC000169751055 635300591 /nfs/dbraw/zinc/30/05/91/635300591.db2.gz WDIWZHQDIJFGQU-TZMCWYRMSA-N 1 0 251.374 0.770 10 0 CCAERO C[NH+]1CCC(NC(=O)c2ccc(-n3cnnc3)nc2)CC1 ZINC000223049815 636891766 /nfs/dbraw/zinc/89/17/66/636891766.db2.gz YWSUMZXTQSUULK-UHFFFAOYSA-N 1 0 286.339 0.486 10 0 CCAERO CCS(=O)(=O)NCC1(C[NH+]2CCCC2)CCOCC1 ZINC000223606322 636904104 /nfs/dbraw/zinc/90/41/04/636904104.db2.gz XXRAJELLMFFVJW-UHFFFAOYSA-N 1 0 290.429 0.818 10 0 CCAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(-n2ccnc2)nc1 ZINC000167790472 636975865 /nfs/dbraw/zinc/97/58/65/636975865.db2.gz 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O=C(NCCn1cccn1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000114970976 349848883 /nfs/dbraw/zinc/84/88/83/349848883.db2.gz OPJRUDVXKHZVGX-ZDUSSCGKSA-N 1 0 277.372 0.763 10 0 CCAERO C[C@@H]1CC[NH2+]C[C@@H]1N(C)c1ncnc2c1CC(=O)N2 ZINC000116374700 349868812 /nfs/dbraw/zinc/86/88/12/349868812.db2.gz FHPPLXFTTSCCLA-SCZZXKLOSA-N 1 0 261.329 0.405 10 0 CCAERO CCOCCO[C@@H](C)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116790746 349872724 /nfs/dbraw/zinc/87/27/24/349872724.db2.gz GZFOYWWSGGNSKJ-QWHCGFSZSA-N 1 0 288.388 0.217 10 0 CCAERO C[NH+](C)C[C@H]1CN(C(=O)c2ccc3n[nH]nc3c2)CCO1 ZINC000116796105 349873252 /nfs/dbraw/zinc/87/32/52/349873252.db2.gz VROPHVLZZSPPDM-NSHDSACASA-N 1 0 289.339 0.361 10 0 CCAERO C[NH+](C)C[C@H]1CN(C(=O)[C@H]2CCCOC2)CCO1 ZINC000116792785 349873412 /nfs/dbraw/zinc/87/34/12/349873412.db2.gz QCGFUCTWVREXDN-RYUDHWBXSA-N 1 0 256.346 0.202 10 0 CCAERO C[NH+](C)C[C@H]1CN(C(=O)NCCCOCC2CC2)CCO1 ZINC000117027606 349879220 /nfs/dbraw/zinc/87/92/20/349879220.db2.gz OSCGYLQJRYWXRO-AWEZNQCLSA-N 1 0 299.415 0.775 10 0 CCAERO CCOCCCCNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117035612 349879642 /nfs/dbraw/zinc/87/96/42/349879642.db2.gz MASTWQFKWKAJCA-ZDUSSCGKSA-N 1 0 287.404 0.775 10 0 CCAERO CC[C@@H](O)C[NH+]1CCN(Cc2cccc(C(N)=O)c2)CC1 ZINC000118858474 349908810 /nfs/dbraw/zinc/90/88/10/349908810.db2.gz CREPRMIBXFYXFW-OAHLLOKOSA-N 1 0 291.395 0.674 10 0 CCAERO Cc1ccc(NC(=O)[C@H]2CCC[C@H]2[NH3+])cc1S(N)(=O)=O ZINC000085370795 136793997 /nfs/dbraw/zinc/79/39/97/136793997.db2.gz HKLHSZABLFJJHJ-WDEREUQCSA-N 1 0 297.380 0.708 10 0 CCAERO C[C@H]([NH3+])CCNc1cnn(C)c(=O)c1Br ZINC000167907938 136845962 /nfs/dbraw/zinc/84/59/62/136845962.db2.gz PADBKXGBELIXRQ-LURJTMIESA-N 1 0 275.150 0.692 10 0 CCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000261674663 137015204 /nfs/dbraw/zinc/01/52/04/137015204.db2.gz GGKWUTVSMZZJNX-QLFBSQMISA-N 1 0 295.427 0.685 10 0 CCAERO C[C@@H]1OCCC[C@H]1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000249615688 137000405 /nfs/dbraw/zinc/00/04/05/137000405.db2.gz PBTNWPYSRMLBKD-RRFJBIMHSA-N 1 0 296.411 0.982 10 0 CCAERO C[C@H](NC(=O)c1ccco1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249843798 137001227 /nfs/dbraw/zinc/00/12/27/137001227.db2.gz ZHXMZNPRRULEQV-RYUDHWBXSA-N 1 0 291.351 0.705 10 0 CCAERO CO[C@@H]1CCN(CCS(=O)(=O)C(C)C)[C@H](C[NH3+])C1 ZINC000261593160 137011365 /nfs/dbraw/zinc/01/13/65/137011365.db2.gz YWKMIDKHNPDKGH-NWDGAFQWSA-N 1 0 278.418 0.248 10 0 CCAERO COc1ccc(OC)c(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000262351482 137039803 /nfs/dbraw/zinc/03/98/03/137039803.db2.gz ULSZXBHGWYWGRC-BXKDBHETSA-N 1 0 280.324 0.014 10 0 CCAERO CC(C)OCCN1CCN(C(=O)[C@@H](C)C2C[NH2+]C2)CC1 ZINC000262352921 137040000 /nfs/dbraw/zinc/04/00/00/137040000.db2.gz JIUOYSDRXMZVSY-ZDUSSCGKSA-N 1 0 283.416 0.411 10 0 CCAERO CC(C)C(=O)NCCCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262357650 137040116 /nfs/dbraw/zinc/04/01/16/137040116.db2.gz IDHIPXFJSNNXFT-RYUDHWBXSA-N 1 0 269.389 0.653 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1c(F)cccc1F ZINC000262364868 137040368 /nfs/dbraw/zinc/04/03/68/137040368.db2.gz VPBNLDHZVFOYCJ-OIBJUYFYSA-N 1 0 256.252 0.275 10 0 CCAERO COc1cc(C)ccc1OCC(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262357829 137040388 /nfs/dbraw/zinc/04/03/88/137040388.db2.gz UXOWWEVBWXBEBP-VXGBXAGGSA-N 1 0 294.351 0.079 10 0 CCAERO Cc1cc(C)c(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)[nH]1 ZINC000262362429 137040410 /nfs/dbraw/zinc/04/04/10/137040410.db2.gz KNTQVWUDMQHKAI-ZDUSSCGKSA-N 1 0 276.384 0.751 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1c(F)cc(F)cc1F ZINC000262389599 137041723 /nfs/dbraw/zinc/04/17/23/137041723.db2.gz XVOLQWYFVIHWAZ-QUBYGPBYSA-N 1 0 274.242 0.414 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cc(Cl)ccc1F ZINC000262405503 137042355 /nfs/dbraw/zinc/04/23/55/137042355.db2.gz YXBIFYFIUBCJQO-CPCISQLKSA-N 1 0 272.707 0.789 10 0 CCAERO O=C(CCc1nc2ccccc2[nH]1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262410502 137042465 /nfs/dbraw/zinc/04/24/65/137042465.db2.gz ZFXAYADVUJUZRE-MFKMUULPSA-N 1 0 288.351 0.192 10 0 CCAERO CSC[C@H](CCO)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262420456 137043140 /nfs/dbraw/zinc/04/31/40/137043140.db2.gz QMKNXNHMVYRCRD-DCAQKATOSA-N 1 0 260.403 0.605 10 0 CCAERO CCC[C@@H]([NH3+])C(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000262511853 137045833 /nfs/dbraw/zinc/04/58/33/137045833.db2.gz BLPQKGKMDFRKMO-GHMZBOCLSA-N 1 0 256.346 0.916 10 0 CCAERO C[C@H](C(=O)N1CCC2(CC[NH2+]C2)CC1)N1CCOCC1 ZINC000261717841 137016904 /nfs/dbraw/zinc/01/69/04/137016904.db2.gz GSUUAIVYJYEREI-CYBMUJFWSA-N 1 0 281.400 0.309 10 0 CCAERO CNC(=O)Cc1nc(CN2CC[C@@H]([NH3+])C(C)(C)C2)cs1 ZINC000261839658 137021979 /nfs/dbraw/zinc/02/19/79/137021979.db2.gz ZQTSILPGWATWRE-LLVKDONJSA-N 1 0 296.440 0.991 10 0 CCAERO C[C@H]([NH3+])CC(=O)N1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000261849211 137022430 /nfs/dbraw/zinc/02/24/30/137022430.db2.gz OOIIPHZBYAIHCV-WDEREUQCSA-N 1 0 285.413 0.290 10 0 CCAERO O=C(NCc1ccc(-n2cccn2)cc1)C1C[NH2+]C1 ZINC000262170491 137029183 /nfs/dbraw/zinc/02/91/83/137029183.db2.gz CIMYQNRFBHKNBJ-UHFFFAOYSA-N 1 0 256.309 0.708 10 0 CCAERO O=C(Nc1nccs1)[C@H]1CCCN1C(=O)C1C[NH2+]C1 ZINC000262195719 137030768 /nfs/dbraw/zinc/03/07/68/137030768.db2.gz GPSVAFPDKXOMTI-SECBINFHSA-N 1 0 280.353 0.292 10 0 CCAERO C[C@H](Oc1ccccc1F)C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262206092 137031156 /nfs/dbraw/zinc/03/11/56/137031156.db2.gz INZGRDHXTRSZIN-UMNHJUIQSA-N 1 0 282.315 0.290 10 0 CCAERO O=C(C[C@@H]1CCOc2ccccc21)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262237008 137032426 /nfs/dbraw/zinc/03/24/26/137032426.db2.gz KRAURKIRFDFHTL-OBJOEFQTSA-N 1 0 290.363 0.639 10 0 CCAERO O=C(Cc1c(F)cccc1Cl)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262242119 137032694 /nfs/dbraw/zinc/03/26/94/137032694.db2.gz KZZPQTWGUPXSPQ-UFBFGSQYSA-N 1 0 286.734 0.718 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(-n2cccn2)cc1 ZINC000262241945 137032764 /nfs/dbraw/zinc/03/27/64/137032764.db2.gz KZDQAQKNFRLBGD-TZMCWYRMSA-N 1 0 286.335 0.182 10 0 CCAERO Cc1cc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c(F)cc1F ZINC000262278636 137034438 /nfs/dbraw/zinc/03/44/38/137034438.db2.gz NPNLSBMJVRLOBR-PRHODGIISA-N 1 0 270.279 0.583 10 0 CCAERO Cc1cc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c(F)cc1F ZINC000262278632 137034767 /nfs/dbraw/zinc/03/47/67/137034767.db2.gz NPNLSBMJVRLOBR-PELKAZGASA-N 1 0 270.279 0.583 10 0 CCAERO COc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1OC ZINC000262276397 137034886 /nfs/dbraw/zinc/03/48/86/137034886.db2.gz NLVSODPKMQXXHW-QWRGUYRKSA-N 1 0 280.324 0.014 10 0 CCAERO CCCC(=O)N[C@H]1CCCN(C(=O)C2C[NH2+]C2)C1 ZINC000262284512 137035005 /nfs/dbraw/zinc/03/50/05/137035005.db2.gz WIDGQYFXUSXPSG-NSHDSACASA-N 1 0 253.346 0.113 10 0 CCAERO C[C@H](Sc1ccccc1)C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262304948 137036414 /nfs/dbraw/zinc/03/64/14/137036414.db2.gz PYIJDEWRXHRJMC-DMDPSCGWSA-N 1 0 280.393 0.864 10 0 CCAERO CC(C)c1ncc(Cl)c(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)n1 ZINC000262322616 137037462 /nfs/dbraw/zinc/03/74/62/137037462.db2.gz RMZYXBBXYCXPPW-WCBMZHEXSA-N 1 0 298.774 0.564 10 0 CCAERO C[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@H]1O)c1ccsc1 ZINC000262330346 137037838 /nfs/dbraw/zinc/03/78/38/137037838.db2.gz SFJYALSVGDNOKC-INTQDDNPSA-N 1 0 254.355 0.548 10 0 CCAERO COc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)cn1 ZINC000262324949 137038525 /nfs/dbraw/zinc/03/85/25/137038525.db2.gz QWZSBLDEWYVKBY-LLVKDONJSA-N 1 0 299.396 0.838 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cc(-c2cccs2)on1 ZINC000262330379 137038578 /nfs/dbraw/zinc/03/85/78/137038578.db2.gz SFQKTPLZLZBXEU-SCZZXKLOSA-N 1 0 293.348 0.713 10 0 CCAERO CN1CC[NH2+]C[C@@H]1c1noc(CC[C@@H]2CCOC2)n1 ZINC000263266331 137062347 /nfs/dbraw/zinc/06/23/47/137062347.db2.gz ROSZAYASNKRKJD-GHMZBOCLSA-N 1 0 266.345 0.615 10 0 CCAERO COc1ccc(CCCNC(=O)C2C[NH2+]C2)cc1OC ZINC000263259040 137062394 /nfs/dbraw/zinc/06/23/94/137062394.db2.gz GAGHVTCJXFQPAX-UHFFFAOYSA-N 1 0 278.352 0.972 10 0 CCAERO O[C@@H]1C[NH2+]C[C@H]1CNCc1cnc2ccc(Cl)cn12 ZINC000263288357 137062920 /nfs/dbraw/zinc/06/29/20/137062920.db2.gz VJCXGCNYZRUUPC-BXKDBHETSA-N 1 0 280.759 0.658 10 0 CCAERO CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)C1C[NH2+]C1 ZINC000263346749 137064523 /nfs/dbraw/zinc/06/45/23/137064523.db2.gz ZGMVEXIZELANCC-CYBMUJFWSA-N 1 0 275.352 0.022 10 0 CCAERO [NH3+][C@@H](CC(F)F)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000310998958 137073559 /nfs/dbraw/zinc/07/35/59/137073559.db2.gz JFXAGKSNUTUZOU-ZJUUUORDSA-N 1 0 261.316 0.666 10 0 CCAERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CC(NC(=O)C3CC3)C2)C1 ZINC000333010550 137082726 /nfs/dbraw/zinc/08/27/26/137082726.db2.gz VEYRXWRIBAOGKA-YPMHNXCESA-N 1 0 294.399 0.389 10 0 CCAERO COc1cc(CNC[C@@H]2C[NH2+]C[C@H]2O)cc2c1OCCO2 ZINC000263198681 137059973 /nfs/dbraw/zinc/05/99/73/137059973.db2.gz ISLSMAKMKKIDLI-VXGBXAGGSA-N 1 0 294.351 0.136 10 0 CCAERO O[C@H]1C[NH2+]C[C@H]1CNCc1cc(Cl)cc2c1OCC2 ZINC000263196449 137060035 /nfs/dbraw/zinc/06/00/35/137060035.db2.gz ILUWGVNSXSCFAZ-YPMHNXCESA-N 1 0 282.771 0.945 10 0 CCAERO CN1CC[NH2+]C[C@H]1c1noc([C@H]2CCc3c[nH]nc3C2)n1 ZINC000263223076 137060759 /nfs/dbraw/zinc/06/07/59/137060759.db2.gz MGJPJJQPOOQOBK-CABZTGNLSA-N 1 0 288.355 0.641 10 0 CCAERO O[C@@H]1C[NH2+]C[C@H]1CNCc1c(C2CC2)nc2sccn12 ZINC000263222136 137060842 /nfs/dbraw/zinc/06/08/42/137060842.db2.gz MASYJJDPUFFVDN-ZYHUDNBSSA-N 1 0 292.408 0.943 10 0 CCAERO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2COCCN2)C1 ZINC000263235710 137061234 /nfs/dbraw/zinc/06/12/34/137061234.db2.gz DOGQRTKXXWVNJN-CHWSQXEVSA-N 1 0 283.416 0.602 10 0 CCAERO COC(=O)CC[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000034981129 348153512 /nfs/dbraw/zinc/15/35/12/348153512.db2.gz FUQKNVJBGYBHCN-SECBINFHSA-N 1 0 286.353 0.548 10 0 CCAERO O=C(NCCc1cccc(F)c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000036779634 348170016 /nfs/dbraw/zinc/17/00/16/348170016.db2.gz SRRYAXXDGVDLQA-RYUDHWBXSA-N 1 0 252.289 0.207 10 0 CCAERO CC[NH+](CC)CCOC(=S)N[C@@H]1C=CS(=O)(=O)C1 ZINC000040166449 348230931 /nfs/dbraw/zinc/23/09/31/348230931.db2.gz UGHNXXNBOXMMKS-SNVBAGLBSA-N 1 0 292.426 0.530 10 0 CCAERO CC(C)N(CC(N)=O)C(=O)CC1CCC(C[NH3+])CC1 ZINC000104123268 185898392 /nfs/dbraw/zinc/89/83/92/185898392.db2.gz AMAXCUTWIAJQHB-UHFFFAOYSA-N 1 0 269.389 0.864 10 0 CCAERO COc1ccc(C[NH2+][C@@H]2CCCNC2=O)cc1O ZINC000050393932 348474396 /nfs/dbraw/zinc/47/43/96/348474396.db2.gz DULXDHOATJJCIF-SNVBAGLBSA-N 1 0 250.298 0.769 10 0 CCAERO CCOC(=O)C1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000050499314 348476405 /nfs/dbraw/zinc/47/64/05/348476405.db2.gz XBTZFFZGVNDMOI-GFCCVEGCSA-N 1 0 268.357 0.930 10 0 CCAERO O=C(NCCCOc1ccccc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000052092432 348503582 /nfs/dbraw/zinc/50/35/82/348503582.db2.gz JVSKIGNNQQYLEF-AAEUAGOBSA-N 1 0 264.325 0.295 10 0 CCAERO CCCNC(=O)CCNC(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000052559893 348511409 /nfs/dbraw/zinc/51/14/09/348511409.db2.gz VCPHIHGETJIANS-LBPRGKRZSA-N 1 0 284.404 0.686 10 0 CCAERO CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CCCO ZINC000052761908 348513603 /nfs/dbraw/zinc/51/36/03/348513603.db2.gz PFBGPITZSONUKY-NSHDSACASA-N 1 0 271.361 0.459 10 0 CCAERO COCCCNC(=O)C[N@@H+]1CCC[C@@H]1CCCO ZINC000052761943 348513939 /nfs/dbraw/zinc/51/39/39/348513939.db2.gz XXYHHHOPGPZRDG-GFCCVEGCSA-N 1 0 258.362 0.376 10 0 CCAERO Cc1cc(NC(=O)CN(C)C(=O)C[C@@H]2CCC[NH2+]C2)no1 ZINC000054307995 348549745 /nfs/dbraw/zinc/54/97/45/348549745.db2.gz HCJQZSVWXUPDPS-NSHDSACASA-N 1 0 294.355 0.770 10 0 CCAERO C[NH2+][C@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000055421699 348577498 /nfs/dbraw/zinc/57/74/98/348577498.db2.gz CTRBMLIGKDOQPD-SECBINFHSA-N 1 0 285.369 0.483 10 0 CCAERO CN1CCN(Cc2ccccc2)[C@@H](C2=[NH+]CCN2)C1 ZINC000058614576 348629847 /nfs/dbraw/zinc/62/98/47/348629847.db2.gz GTWKOXWYJJMQTR-CQSZACIVSA-N 1 0 258.369 0.804 10 0 CCAERO CC[C@H](C)N1C(=O)C[C@H]([NH2+]CC2CCOCC2)C1=O ZINC000104198499 185926569 /nfs/dbraw/zinc/92/65/69/185926569.db2.gz SPQJBAFHSQWUIY-JQWIXIFHSA-N 1 0 268.357 0.929 10 0 CCAERO CC[C@@]1(C(=O)NCc2nnc3ccccn32)CC[NH2+]C1 ZINC000062899811 348672696 /nfs/dbraw/zinc/67/26/96/348672696.db2.gz FEMBFRVRMKNJDZ-CQSZACIVSA-N 1 0 273.340 0.735 10 0 CCAERO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2cccc(N)c2)C1 ZINC000062965206 348673572 /nfs/dbraw/zinc/67/35/72/348673572.db2.gz VMZLVNOVOZNZMI-NSHDSACASA-N 1 0 269.370 0.593 10 0 CCAERO CNc1cc(C)[nH+]c(N2CCC3(CNC(=O)C3)CC2)n1 ZINC000065373267 348712005 /nfs/dbraw/zinc/71/20/05/348712005.db2.gz WKGAQEFZDHDLCV-UHFFFAOYSA-N 1 0 275.356 0.933 10 0 CCAERO [NH3+]C[C@@]1(O)CCCN(CCCc2ccccc2)C1=O ZINC000067723525 348783324 /nfs/dbraw/zinc/78/33/24/348783324.db2.gz XIOITISZDGKOFH-HNNXBMFYSA-N 1 0 262.353 0.931 10 0 CCAERO COc1cccc(-n2nncc2CN2CC[NH2+]CC2)c1 ZINC000070460959 348891069 /nfs/dbraw/zinc/89/10/69/348891069.db2.gz FLMCIPBZXXZUSS-UHFFFAOYSA-N 1 0 273.340 0.681 10 0 CCAERO COC(=O)CCCS(=O)(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000071188974 348904906 /nfs/dbraw/zinc/90/49/06/348904906.db2.gz MEWRICKYDFYSRF-NSHDSACASA-N 1 0 292.401 0.153 10 0 CCAERO Cn1ccc(NC(=O)C(=O)N2CCC[N@@H+](C3CC3)CC2)n1 ZINC000077743121 349118655 /nfs/dbraw/zinc/11/86/55/349118655.db2.gz OALORDYPPVWWQS-UHFFFAOYSA-N 1 0 291.355 0.055 10 0 CCAERO COC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000082259309 349293464 /nfs/dbraw/zinc/29/34/64/349293464.db2.gz OLVRDCINXLFFQS-GHMZBOCLSA-N 1 0 254.330 0.540 10 0 CCAERO COC[C@H]([NH3+])C(=O)N(C)Cc1ccc(Br)o1 ZINC000088003308 349354735 /nfs/dbraw/zinc/35/47/35/349354735.db2.gz MGVXVQPNJXXMMO-QMMMGPOBSA-N 1 0 291.145 0.974 10 0 CCAERO CCCN(C)S(=O)(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000121069897 350020836 /nfs/dbraw/zinc/02/08/36/350020836.db2.gz FPLSVNWSUOZYOI-RYUDHWBXSA-N 1 0 277.434 0.891 10 0 CCAERO NC(=O)c1csc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1 ZINC000121078214 350021309 /nfs/dbraw/zinc/02/13/09/350021309.db2.gz SLCJSYCPZFYAEI-GFCCVEGCSA-N 1 0 295.408 0.754 10 0 CCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC(C(N)=O)CC1 ZINC000124770892 350107032 /nfs/dbraw/zinc/10/70/32/350107032.db2.gz VUNLAAUWLXXKJY-CYBMUJFWSA-N 1 0 298.431 0.870 10 0 CCAERO C[C@@H]1CC[C@H](C(=O)NCCCN2CC[NH+](C)CC2)O1 ZINC000124217331 350092318 /nfs/dbraw/zinc/09/23/18/350092318.db2.gz GZEMFCMVBBRHFM-CHWSQXEVSA-N 1 0 269.389 0.308 10 0 CCAERO CN(Cc1nccn1C)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000125196316 350116653 /nfs/dbraw/zinc/11/66/53/350116653.db2.gz NPUXEOKJXYHNBF-UHFFFAOYSA-N 1 0 279.388 0.062 10 0 CCAERO C[C@@H](C[NH3+])N(C)c1ncc(I)cn1 ZINC000126423774 350146495 /nfs/dbraw/zinc/14/64/95/350146495.db2.gz AWGUQGKUNQGPDQ-LURJTMIESA-N 1 0 292.124 0.865 10 0 CCAERO COC[C@H](O)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000126679839 350152618 /nfs/dbraw/zinc/15/26/18/350152618.db2.gz XCCZODYTCOCYOT-CYBMUJFWSA-N 1 0 253.346 0.602 10 0 CCAERO CCNC(=O)CN(CC)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000126817700 350155352 /nfs/dbraw/zinc/15/53/52/350155352.db2.gz VQODCZDEDKXGHD-LBPRGKRZSA-N 1 0 284.404 0.638 10 0 CCAERO COC[C@H](O)C[NH+]1CCC(Cc2nccn2C)CC1 ZINC000126676474 350151274 /nfs/dbraw/zinc/15/12/74/350151274.db2.gz RKPWDZBDTGRRDO-CYBMUJFWSA-N 1 0 267.373 0.682 10 0 CCAERO CC1CC[NH+](CCNC(=O)NC[C@H]2CN(C)CCO2)CC1 ZINC000104788519 186023593 /nfs/dbraw/zinc/02/35/93/186023593.db2.gz YTYCRYHZWYRTGT-AWEZNQCLSA-N 1 0 298.431 0.348 10 0 CCAERO CC(C)n1cc(NC(=O)C2([NH3+])CCOCC2)cn1 ZINC000127928134 350180927 /nfs/dbraw/zinc/18/09/27/350180927.db2.gz SDSHSXZOEUJMEX-UHFFFAOYSA-N 1 0 252.318 0.910 10 0 CCAERO CCCCN(C(=O)C1C[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC000091411818 180148795 /nfs/dbraw/zinc/14/87/95/180148795.db2.gz NXADJFVBNZTAEB-LLVKDONJSA-N 1 0 274.386 0.022 10 0 CCAERO CN1CCO[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000128064878 350185044 /nfs/dbraw/zinc/18/50/44/350185044.db2.gz JAJBDHWXQTWVNA-MGPQQGTHSA-N 1 0 253.390 0.533 10 0 CCAERO CCNC(=O)CCCC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000104866842 186030192 /nfs/dbraw/zinc/03/01/92/186030192.db2.gz DQVPECMZQZUKHF-NSHDSACASA-N 1 0 255.362 0.503 10 0 CCAERO CN(C[C@@H]1CCCOC1)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129751408 350222222 /nfs/dbraw/zinc/22/22/22/350222222.db2.gz JOBVTGQBOOUQDP-ZDUSSCGKSA-N 1 0 283.416 0.555 10 0 CCAERO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCNC(=O)CC1 ZINC000105182029 186044243 /nfs/dbraw/zinc/04/42/43/186044243.db2.gz RGACXOXDGFLMLP-QWHCGFSZSA-N 1 0 296.415 0.638 10 0 CCAERO Cn1cc(CNC(=O)N2CCN(C3CC3)CC2)cn1 ZINC000105180364 186044633 /nfs/dbraw/zinc/04/46/33/186044633.db2.gz YTXXRKNNIRNTIV-UHFFFAOYSA-N 1 0 263.345 0.410 10 0 CCAERO CN1CCO[C@H](CNC(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000105279152 186048084 /nfs/dbraw/zinc/04/80/84/186048084.db2.gz CIZNEFNOYRUANM-QWHCGFSZSA-N 1 0 284.404 0.053 10 0 CCAERO CC(C)Cn1ccnc(NC[C@](C)(O)C[NH+](C)C)c1=O ZINC000091672401 180224403 /nfs/dbraw/zinc/22/44/03/180224403.db2.gz CJWRIPNWZDPLGD-AWEZNQCLSA-N 1 0 282.388 0.624 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ncn(C)n1 ZINC000130457018 350238147 /nfs/dbraw/zinc/23/81/47/350238147.db2.gz ZVUTXHPFBRNSOU-LLVKDONJSA-N 1 0 280.376 0.441 10 0 CCAERO CCN(C)C(=O)CC[NH+]1CCN(Cc2ccon2)CC1 ZINC000130542014 350239615 /nfs/dbraw/zinc/23/96/15/350239615.db2.gz XKVNJVSFAODKRG-UHFFFAOYSA-N 1 0 280.372 0.661 10 0 CCAERO CCn1c(C)nnc1C[NH2+][C@H]1CCCC[C@@H]1C(N)=O ZINC000130881625 350252137 /nfs/dbraw/zinc/25/21/37/350252137.db2.gz NCJBMEAWXYTRSL-QWRGUYRKSA-N 1 0 265.361 0.740 10 0 CCAERO CC(C)(C)OC[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1C(N)=O ZINC000131061191 350260293 /nfs/dbraw/zinc/26/02/93/350260293.db2.gz GIPQHALMBGDQTK-WOPDTQHZSA-N 1 0 272.389 0.796 10 0 CCAERO COC(=O)CCCC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000131224764 350268510 /nfs/dbraw/zinc/26/85/10/350268510.db2.gz ACRVWRMKQPTEEH-NSHDSACASA-N 1 0 272.345 0.119 10 0 CCAERO CC(C)(C(=O)NC[C@@H]1CCCOC1)N1CC[NH2+]CC1 ZINC000131243249 350269482 /nfs/dbraw/zinc/26/94/82/350269482.db2.gz IIWTUFCQMKHCJL-LBPRGKRZSA-N 1 0 269.389 0.213 10 0 CCAERO C[NH+](C)CC(=O)N1CCC[C@H](Cn2cncn2)C1 ZINC000131981500 350293777 /nfs/dbraw/zinc/29/37/77/350293777.db2.gz NAWLEFNXZFMMOP-NSHDSACASA-N 1 0 251.334 0.078 10 0 CCAERO CN1CCO[C@@H](C[N@@H+]2CCCC3(C2)OCCO3)C1 ZINC000134076566 350353477 /nfs/dbraw/zinc/35/34/77/350353477.db2.gz SEQONZINRNMRAE-GFCCVEGCSA-N 1 0 256.346 0.156 10 0 CCAERO O=S(=O)([C@H]1CC[N@@H+](CCCF)C1)N1CCCC1 ZINC000135683348 350406398 /nfs/dbraw/zinc/40/63/98/350406398.db2.gz JMCNJPCYDDHQST-NSHDSACASA-N 1 0 264.366 0.846 10 0 CCAERO CCC[C@H](C(=O)Nc1cnn(CC(=O)NC)c1)[NH+](C)C ZINC000137132689 350433649 /nfs/dbraw/zinc/43/36/49/350433649.db2.gz GJKUKZAHGQADCG-LLVKDONJSA-N 1 0 281.360 0.298 10 0 CCAERO C[NH+](C)CC(=O)N1CCC(Nc2cccnn2)CC1 ZINC000105868064 186080410 /nfs/dbraw/zinc/08/04/10/186080410.db2.gz ZFBYWOMFILBWAO-UHFFFAOYSA-N 1 0 263.345 0.441 10 0 CCAERO CCOC(=O)CCCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000136168511 350416562 /nfs/dbraw/zinc/41/65/62/350416562.db2.gz HAQTYVGODKVMTM-CYBMUJFWSA-N 1 0 256.346 0.978 10 0 CCAERO CC[C@@H]1CN(CC(=O)N(C)CC2CC2)CC[N@@H+]1C[C@@H](C)O ZINC000105827500 186073524 /nfs/dbraw/zinc/07/35/24/186073524.db2.gz APFZPLNKTUWHNG-UKRRQHHQSA-N 1 0 297.443 0.632 10 0 CCAERO COCC[N@@H+]1CCN(CCn2cccn2)C[C@@H]1C ZINC000105834110 186076458 /nfs/dbraw/zinc/07/64/58/186076458.db2.gz XPCNPNWJTFVLPJ-ZDUSSCGKSA-N 1 0 252.362 0.536 10 0 CCAERO COC(=O)CC[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000105910426 186089805 /nfs/dbraw/zinc/08/98/05/186089805.db2.gz PXXXBQDWDJSNBX-UHFFFAOYSA-N 1 0 278.356 0.940 10 0 CCAERO C[NH+](C)C[C@@H]1CN(CC(=O)NCc2ccco2)CCO1 ZINC000105927784 186092057 /nfs/dbraw/zinc/09/20/57/186092057.db2.gz RFIWALGMTMIJGQ-CYBMUJFWSA-N 1 0 281.356 0.158 10 0 CCAERO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)C(=O)NC(C)(C)C ZINC000105933452 186092113 /nfs/dbraw/zinc/09/21/13/186092113.db2.gz FDCQSYYTKGJFCG-MNOVXSKESA-N 1 0 257.378 0.210 10 0 CCAERO C[NH+](C)C[C@H]1CN(C(=O)CCCCc2c[nH]nn2)CCO1 ZINC000139355597 350447085 /nfs/dbraw/zinc/44/70/85/350447085.db2.gz BNGNTIHYVAOQSI-ZDUSSCGKSA-N 1 0 295.387 0.307 10 0 CCAERO CC[C@@H](O)C[NH+]1CCN(CCn2cccn2)CC1 ZINC000106386476 186113302 /nfs/dbraw/zinc/11/33/02/186113302.db2.gz INJKFEQCLXMWRI-CYBMUJFWSA-N 1 0 252.362 0.272 10 0 CCAERO CC[C@H](O)C[NH+]1CCN(C[C@@H](O)COC(C)(C)C)CC1 ZINC000106387013 186113387 /nfs/dbraw/zinc/11/33/87/186113387.db2.gz HUANZFZUVIDTKE-UONOGXRCSA-N 1 0 288.432 0.551 10 0 CCAERO CCNC(=O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000151099807 350492961 /nfs/dbraw/zinc/49/29/61/350492961.db2.gz CQZVPKAGIVTPAC-GFCCVEGCSA-N 1 0 262.357 0.952 10 0 CCAERO CC[C@@H](C(=O)N1CCN(CCOC)[C@H](C)C1)[NH+](C)C ZINC000152473938 350529390 /nfs/dbraw/zinc/52/93/90/350529390.db2.gz BARLRNOEKWWEHZ-OLZOCXBDSA-N 1 0 271.405 0.506 10 0 CCAERO COCC[NH2+]CC(=O)N(C)Cc1csc(C)n1 ZINC000092509801 180398645 /nfs/dbraw/zinc/39/86/45/180398645.db2.gz XPPMUAHUIVMKAZ-UHFFFAOYSA-N 1 0 257.359 0.646 10 0 CCAERO CCC[C@H](C(=O)N[C@@H](C)[C@@H](C)N1CCOCC1)[NH+](C)C ZINC000152779898 350541548 /nfs/dbraw/zinc/54/15/48/350541548.db2.gz OLGFCKYJZYLDHW-BFHYXJOUSA-N 1 0 285.432 0.942 10 0 CCAERO O=C(CC[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1)N1CCOCC1 ZINC000152970610 350547524 /nfs/dbraw/zinc/54/75/24/350547524.db2.gz PKSDRSAPQMNCLM-KGLIPLIRSA-N 1 0 282.384 0.736 10 0 CCAERO O=C(Nc1ccnn1C[C@@H]1CCOC1)[C@@]1(F)CC[NH2+]C1 ZINC000153817576 350563393 /nfs/dbraw/zinc/56/33/93/350563393.db2.gz BNEWMAJAMWMOLF-GXFFZTMASA-N 1 0 282.319 0.560 10 0 CCAERO CSC[C@H](C)NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000153896368 350567201 /nfs/dbraw/zinc/56/72/01/350567201.db2.gz OJFGRTQZIWZLFI-NWDGAFQWSA-N 1 0 289.445 0.884 10 0 CCAERO CCOCCN1CCN(C(=O)C[NH2+]C2CC2)C[C@@H]1CC ZINC000154654870 350595467 /nfs/dbraw/zinc/59/54/67/350595467.db2.gz SBPMSPCJZASPGK-AWEZNQCLSA-N 1 0 283.416 0.698 10 0 CCAERO C[NH+](C)C[C@@H]1CN(C(=O)C[C@H]2CCCCO2)CCO1 ZINC000155252626 350613998 /nfs/dbraw/zinc/61/39/98/350613998.db2.gz OOPQTEWMVZLWRL-CHWSQXEVSA-N 1 0 270.373 0.735 10 0 CCAERO CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2CNC(=O)C2)CC1 ZINC000110349392 186293310 /nfs/dbraw/zinc/29/33/10/186293310.db2.gz DEZYVVVIXOXRQZ-LLVKDONJSA-N 1 0 267.373 0.454 10 0 CCAERO O=C([C@@H]1CNC(=O)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000110432496 186295237 /nfs/dbraw/zinc/29/52/37/186295237.db2.gz IMGSLDZSEHTYIK-LBPRGKRZSA-N 1 0 279.384 0.599 10 0 CCAERO CNC(=O)[C@H]1CCCN1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000156623691 350632654 /nfs/dbraw/zinc/63/26/54/350632654.db2.gz VCGHUFLJQRLMHU-GHMZBOCLSA-N 1 0 268.361 0.001 10 0 CCAERO COC[C@@H]([NH3+])C(=O)Nc1cccnc1-n1ccnc1C ZINC000159264991 350673401 /nfs/dbraw/zinc/67/34/01/350673401.db2.gz XIBIQMHTHXVABV-SNVBAGLBSA-N 1 0 275.312 0.488 10 0 CCAERO CCOCCOC[C@@H](O)C[NH2+]CC1CCOCC1 ZINC000111161949 186364002 /nfs/dbraw/zinc/36/40/02/186364002.db2.gz JNJXGPVWLOYNHI-ZDUSSCGKSA-N 1 0 261.362 0.417 10 0 CCAERO CCOC(=O)C[C@@H](O)C[N@@H+]1CCC[C@@H]1CCCO ZINC000167002515 350804892 /nfs/dbraw/zinc/80/48/92/350804892.db2.gz RZLRNIZXYWRTBC-VXGBXAGGSA-N 1 0 259.346 0.537 10 0 CCAERO COC(=O)c1ccc(C(=O)OC)c(N2CC[NH2+]CC2)c1 ZINC000167080830 350806247 /nfs/dbraw/zinc/80/62/47/350806247.db2.gz RKAZWEDKUILBEF-UHFFFAOYSA-N 1 0 278.308 0.669 10 0 CCAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000170857250 350868021 /nfs/dbraw/zinc/86/80/21/350868021.db2.gz ARXHLBFJDLHOPM-TZMCWYRMSA-N 1 0 293.411 0.940 10 0 CCAERO COc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000170845463 350868047 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296.415 0.910 10 0 CCAERO CN(Cc1cccc2c1OC(F)(F)O2)[C@H]1C[NH2+]C[C@@H]1O ZINC000333221476 205129286 /nfs/dbraw/zinc/12/92/86/205129286.db2.gz WQUQJCQVQWFXFZ-UWVGGRQHSA-N 1 0 286.278 0.773 10 0 CCAERO CN(C(=O)[C@@H]1CCCC(=O)N1)C(C)(C)C[NH+]1CCCC1 ZINC000333291040 205189486 /nfs/dbraw/zinc/18/94/86/205189486.db2.gz JGBNFDVFSUDLSM-LBPRGKRZSA-N 1 0 281.400 0.988 10 0 CCAERO COc1cnc(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc1 ZINC000333352476 205243734 /nfs/dbraw/zinc/24/37/34/205243734.db2.gz RPKJIWIYKPRJNK-OUAUKWLOSA-N 1 0 291.355 0.995 10 0 CCAERO CC(C)n1[nH]cnc1=NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000333360373 205251606 /nfs/dbraw/zinc/25/16/06/205251606.db2.gz KYBHMCJQQZRAAT-LBPRGKRZSA-N 1 0 292.387 0.983 10 0 CCAERO CCCN1CCCN(C(=O)NC[C@@H]2CC[NH2+]C2)CC1=O ZINC000333672010 205578873 /nfs/dbraw/zinc/57/88/73/205578873.db2.gz NFFCJXPPCBXFOO-GFCCVEGCSA-N 1 0 282.388 0.250 10 0 CCAERO C[C@@H]1CCC[C@H](CNC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000333823300 205743266 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285206020 /nfs/dbraw/zinc/20/60/20/285206020.db2.gz YPCNHSRKZTYHAG-WNYYMSAVSA-N 1 0 268.357 0.975 10 0 CCAERO CC(C)CNC(=O)NC(=O)C[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000399275169 285236854 /nfs/dbraw/zinc/23/68/54/285236854.db2.gz XTUBWDMACKOYOH-WDEREUQCSA-N 1 0 271.361 0.313 10 0 CCAERO COC[C@H](C)C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000184297968 388771382 /nfs/dbraw/zinc/77/13/82/388771382.db2.gz AMYYVZHHBVHDDO-STQMWFEESA-N 1 0 271.405 0.411 10 0 CCAERO Cn1ncc2c1ncnc2N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000284636948 388780423 /nfs/dbraw/zinc/78/04/23/388780423.db2.gz VJDNQYXTQGMJMC-NWDGAFQWSA-N 1 0 288.355 0.273 10 0 CCAERO CCC[C@H]([NH3+])C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000036872818 388844131 /nfs/dbraw/zinc/84/41/31/388844131.db2.gz KRLITXKCBIBFQD-JTQLQIEISA-N 1 0 271.342 0.400 10 0 CCAERO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185882131 388816902 /nfs/dbraw/zinc/81/69/02/388816902.db2.gz ABECUNIPIRFIBH-FZMZJTMJSA-N 1 0 272.389 0.892 10 0 CCAERO 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KDNKILZZDYTIKA-MJBXVCDLSA-N 1 0 281.400 0.437 10 0 CCAERO CCC[C@H](C(=O)Nc1ccc(C(N)=O)nc1)[NH+](C)C ZINC000092605004 389029734 /nfs/dbraw/zinc/02/97/34/389029734.db2.gz XJHIXIIGGUKZNY-LLVKDONJSA-N 1 0 264.329 0.849 10 0 CCAERO CN1CCC[N@H+](C[C@@H](O)Cc2ccccc2)CC1=O ZINC000191135957 389007403 /nfs/dbraw/zinc/00/74/03/389007403.db2.gz RXDXLDJKSDDGEV-AWEZNQCLSA-N 1 0 262.353 0.754 10 0 CCAERO CCOC(=O)N1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000091543731 389024679 /nfs/dbraw/zinc/02/46/79/389024679.db2.gz ODVKDTJNICVWSQ-WDEREUQCSA-N 1 0 269.345 0.415 10 0 CCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)CN1CCCC1=O ZINC000193266642 389065081 /nfs/dbraw/zinc/06/50/81/389065081.db2.gz AURJOCZTWMXNCD-GFCCVEGCSA-N 1 0 269.389 0.701 10 0 CCAERO CCOC(=O)NCC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000193269333 389065110 /nfs/dbraw/zinc/06/51/10/389065110.db2.gz QZCWKWWFHVPGFK-LLVKDONJSA-N 1 0 273.377 0.825 10 0 CCAERO CN1CCO[C@H](CNC(=O)c2ccoc2Cl)C1 ZINC000192397520 389035690 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CEVICVGOSSZXJO-STQMWFEESA-N 1 0 281.352 0.736 10 0 CCAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CC[C@H](O)C2)C1 ZINC000342167367 130357847 /nfs/dbraw/zinc/35/78/47/130357847.db2.gz YWGDLTWOPZJWAB-XQHKEYJVSA-N 1 0 269.389 0.929 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cnns1 ZINC000247480755 131103505 /nfs/dbraw/zinc/10/35/05/131103505.db2.gz SQHINFLGOIQOJV-BDAKNGLRSA-N 1 0 252.343 0.847 10 0 CCAERO O=C1NCC[C@@H]1[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249594797 131122827 /nfs/dbraw/zinc/12/28/27/131122827.db2.gz WNVRKNMPMJSWQX-SRVKXCTJSA-N 1 0 266.366 0.644 10 0 CCAERO [NH3+]CCC(=O)N1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000262459544 131222846 /nfs/dbraw/zinc/22/28/46/131222846.db2.gz JOHKWTOUVZRFBH-QWRGUYRKSA-N 1 0 284.381 0.748 10 0 CCAERO C[S@](=O)c1cccc(NC(=O)[C@@H]2C[NH2+]CCO2)c1 ZINC000262641791 131245887 /nfs/dbraw/zinc/24/58/87/131245887.db2.gz ZTXKRUVMSURPHM-VOJFVSQTSA-N 1 0 268.338 0.351 10 0 CCAERO NC(=O)N[C@H](CC(=O)N[C@@H]1CC[NH2+]C1)c1cccs1 ZINC000262773834 131260981 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0.887 10 0 CCAERO COc1cc(OC)nc(NCCC2(C[NH3+])CC2)n1 ZINC000395876374 397520821 /nfs/dbraw/zinc/52/08/21/397520821.db2.gz MHQCJZWLUHEVSS-UHFFFAOYSA-N 1 0 252.318 0.457 10 0 CCAERO CCOCCS(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247486043 286121585 /nfs/dbraw/zinc/12/15/85/286121585.db2.gz TVLXUJSZPMNOIL-NEPJUHHUSA-N 1 0 276.402 0.521 10 0 CCAERO COCCCN(CCOC)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188412534 292344702 /nfs/dbraw/zinc/34/47/02/292344702.db2.gz WZLCYTPESSUGJO-WDEREUQCSA-N 1 0 262.325 0.198 10 0 CCAERO CC(C)(C)n1nnc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1 ZINC000659305707 413393605 /nfs/dbraw/zinc/39/36/05/413393605.db2.gz KPHCFHMIDUWTQL-GUBZILKMSA-N 1 0 278.360 0.237 10 0 CCAERO C[C@@H](CC(=O)N1CCCC[C@H]1C(N)=O)C1CC[NH2+]CC1 ZINC000150716828 286794676 /nfs/dbraw/zinc/79/46/76/286794676.db2.gz OEVHEXBUPOVADZ-AAEUAGOBSA-N 1 0 281.400 0.879 10 0 CCAERO COC[C@H](CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)OC ZINC000659335209 413428569 /nfs/dbraw/zinc/42/85/69/413428569.db2.gz HHLPYVVJBLUTIU-IVZWLZJFSA-N 1 0 298.305 0.552 10 0 CCAERO COC[C@]1(C(=O)NC[C@H]2CCC[C@@H](C)O2)CCC[NH2+]1 ZINC000659361696 413447402 /nfs/dbraw/zinc/44/74/02/413447402.db2.gz MGXYHTNGCWXQIV-BZPMIXESSA-N 1 0 270.373 0.829 10 0 CCAERO C[C@@H](NC(=O)NCC1([NH+](C)C)CCOCC1)[C@@H]1CCCO1 ZINC000073203207 286969923 /nfs/dbraw/zinc/96/99/23/286969923.db2.gz SUFOZULAPXBTJV-OLZOCXBDSA-N 1 0 299.415 0.964 10 0 CCAERO C[C@@H]([NH2+]CC(=O)Nc1nncs1)[C@H]1CCCO1 ZINC000183161724 287016120 /nfs/dbraw/zinc/01/61/20/287016120.db2.gz SGNMAKXBTNZIIC-HTQZYQBOSA-N 1 0 256.331 0.634 10 0 CCAERO Oc1ccc2c3c1O[C@H]1[C@H](O)C=C[C@H]4[C@@H](C2)[NH2+]CC[C@]314 ZINC000004635503 169992284 /nfs/dbraw/zinc/99/22/84/169992284.db2.gz ONBWJWYUHXVEJS-IMZYEIDVSA-N 1 0 271.316 0.856 10 0 CCAERO CC[C@@H]1COCCN1C(=O)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000038043257 287234273 /nfs/dbraw/zinc/23/42/73/287234273.db2.gz LJWALDOCRVXKIS-HIFRSBDPSA-N 1 0 295.427 0.840 10 0 CCAERO [NH3+]Cc1cn(CC(=O)NCc2cccc(Cl)c2)nn1 ZINC000123015863 411709208 /nfs/dbraw/zinc/70/92/08/411709208.db2.gz KGGJPDGBKIOVJF-UHFFFAOYSA-N 1 0 279.731 0.707 10 0 CCAERO CC(C)NC(=O)CCNC(=O)C1CCC([NH3+])CC1 ZINC000128123019 411716198 /nfs/dbraw/zinc/71/61/98/411716198.db2.gz HAQSLYFOVUBRKW-UHFFFAOYSA-N 1 0 255.362 0.535 10 0 CCAERO C[C@@H](NC(=O)[C@H]1CC[NH2+]C1)c1ccc(S(N)(=O)=O)cc1 ZINC000062113406 411687303 /nfs/dbraw/zinc/68/73/03/411687303.db2.gz LUUDLAWAUCQCHE-KOLCDFICSA-N 1 0 297.380 0.121 10 0 CCAERO CC(C)[C@@H](C)NC(=O)Cn1cc(C(C)(C)[NH3+])nn1 ZINC000070118314 411690374 /nfs/dbraw/zinc/69/03/74/411690374.db2.gz ORPXZBLXRUPZII-SECBINFHSA-N 1 0 253.350 0.633 10 0 CCAERO CC(C)(C)NC(=O)CCNC(=O)C1CCC([NH3+])CC1 ZINC000133291906 411729500 /nfs/dbraw/zinc/72/95/00/411729500.db2.gz RLIQLOPCNUDSNZ-UHFFFAOYSA-N 1 0 269.389 0.925 10 0 CCAERO CCN1CCO[C@H](C[NH2+]C2CCN(C3CC3)CC2)C1 ZINC000311439599 411749735 /nfs/dbraw/zinc/74/97/35/411749735.db2.gz GBJHFJVEPXNGTJ-OAHLLOKOSA-N 1 0 267.417 0.924 10 0 CCAERO COC[C@]1(C(=O)N[C@@H]2CCC[C@H](O)C2)CC[NH2+]C1 ZINC000311109431 411749751 /nfs/dbraw/zinc/74/97/51/411749751.db2.gz UVCJXQORGDWFRP-MDZLAQPJSA-N 1 0 256.346 0.032 10 0 CCAERO [NH3+][C@@H]1CCC2(C[C@@H]1OC[C@@H]1CCCO1)OCCO2 ZINC000019271289 170767200 /nfs/dbraw/zinc/76/72/00/170767200.db2.gz PBSKXJPYLOVNHA-TUAOUCFPSA-N 1 0 257.330 0.805 10 0 CCAERO O=C(c1cccnc1)N1CCC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000020184190 171047479 /nfs/dbraw/zinc/04/74/79/171047479.db2.gz NOLOEGVXSJBGOO-ZDUSSCGKSA-N 1 0 288.351 0.118 10 0 CCAERO CCN(CCO)[C@@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000020226404 171091878 /nfs/dbraw/zinc/09/18/78/171091878.db2.gz MNAOHJMYFAXYRS-NSHDSACASA-N 1 0 252.314 0.729 10 0 CCAERO C[C@H]([NH2+]CCc1ccccc1F)C(=O)NC(N)=O ZINC000020310272 171143943 /nfs/dbraw/zinc/14/39/43/171143943.db2.gz LYVFQOHYMKKZDB-QMMMGPOBSA-N 1 0 253.277 0.541 10 0 CCAERO COCCNC(=O)[C@@H](C)[NH2+]Cc1ccc(OC)cc1 ZINC000020314513 171145295 /nfs/dbraw/zinc/14/52/95/171145295.db2.gz MDFSCIMVJGDOJA-LLVKDONJSA-N 1 0 266.341 0.936 10 0 CCAERO CCOc1ccccc1OCCS(=O)(=O)CC[NH3+] ZINC000020399490 171181615 /nfs/dbraw/zinc/18/16/15/171181615.db2.gz PHLVDGRXCSXXSM-UHFFFAOYSA-N 1 0 273.354 0.838 10 0 CCAERO CNC(=O)NC(=O)[C@@H](C)Oc1cccc([C@@H](C)[NH3+])c1 ZINC000020419782 171185358 /nfs/dbraw/zinc/18/53/58/171185358.db2.gz NIOBEYPYWHTRJA-RKDXNWHRSA-N 1 0 265.313 0.929 10 0 CCAERO O=C(Nc1ccc2c(c1)OCO2)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000020434584 171200111 /nfs/dbraw/zinc/20/01/11/171200111.db2.gz ATOFIZJURCNEMW-BDAKNGLRSA-N 1 0 250.254 0.077 10 0 CCAERO NC(=O)[C@H]1CCCN(C(=O)C[C@H]2CCCC[NH2+]2)C1 ZINC000020597190 171265983 /nfs/dbraw/zinc/26/59/83/171265983.db2.gz RGLKZAALESCJHU-WDEREUQCSA-N 1 0 253.346 0.243 10 0 CCAERO C[C@H](O)C[NH2+]CCNCc1ccc2c(c1)OCCO2 ZINC000020876138 171277730 /nfs/dbraw/zinc/27/77/30/171277730.db2.gz WKRCDGCNUFSRIQ-NSHDSACASA-N 1 0 266.341 0.518 10 0 CCAERO C[NH+](C)CCNC(=O)c1cnn2c1ncc1c2CCCC1 ZINC000021530813 171316628 /nfs/dbraw/zinc/31/66/28/171316628.db2.gz DPBNBGGTSKCNAT-UHFFFAOYSA-N 1 0 287.367 0.900 10 0 CCAERO COc1ccc(C[NH2+]CC(N)=O)cc1OC(F)F ZINC000022143268 171355352 /nfs/dbraw/zinc/35/53/52/171355352.db2.gz NKWUVVZXLBUYGG-UHFFFAOYSA-N 1 0 260.240 0.872 10 0 CCAERO [NH3+]Cc1ccccc1S(=O)(=O)NC1CCC(O)CC1 ZINC000022217414 171376215 /nfs/dbraw/zinc/37/62/15/171376215.db2.gz YEIWTGWDGBVHIZ-UHFFFAOYSA-N 1 0 284.381 0.727 10 0 CCAERO COc1ccc(N(C)C(=O)[C@@H]2C[NH2+]CCOC2)cc1 ZINC000653180165 412254544 /nfs/dbraw/zinc/25/45/44/412254544.db2.gz WRRDYKCDLHTIOA-LLVKDONJSA-N 1 0 264.325 0.894 10 0 CCAERO CCN(C(=O)[C@@H]1C[NH2+]CCOC1)[C@H]1CCCOC1 ZINC000653249003 412267564 /nfs/dbraw/zinc/26/75/64/412267564.db2.gz LTRIIAJHKSJRPT-NEPJUHHUSA-N 1 0 256.346 0.250 10 0 CCAERO O=C(Nc1ccncc1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653105361 412219918 /nfs/dbraw/zinc/21/99/18/412219918.db2.gz RPOVIJWHEJTLAL-RKDXNWHRSA-N 1 0 259.231 0.840 10 0 CCAERO O=C([C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N1CCn2ccnc2C1 ZINC000653115719 412225623 /nfs/dbraw/zinc/22/56/23/412225623.db2.gz YGXOMVYGVCWAKR-RKDXNWHRSA-N 1 0 288.273 0.623 10 0 CCAERO Cn1cc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c2ccccc21 ZINC000653138977 412238216 /nfs/dbraw/zinc/23/82/16/412238216.db2.gz PPYZQTWJMNEAJS-YGRLFVJLSA-N 1 0 273.336 0.488 10 0 CCAERO Cc1ncsc1C[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000284875664 196148748 /nfs/dbraw/zinc/14/87/48/196148748.db2.gz QEIOLDPZGLZNSI-LLVKDONJSA-N 1 0 255.343 0.264 10 0 CCAERO O=S1(=O)CC[C@H]([NH2+]C[C@@H](O)c2cccs2)C1 ZINC000032111905 171704466 /nfs/dbraw/zinc/70/44/66/171704466.db2.gz LQHCYJDJEIREBA-DTWKUNHWSA-N 1 0 261.368 0.558 10 0 CCAERO COc1ccc(OCC(N)=O)c(C[NH2+]C2CC2)c1 ZINC000034656201 171849858 /nfs/dbraw/zinc/84/98/58/171849858.db2.gz JWYPKFRZRYLDQK-UHFFFAOYSA-N 1 0 250.298 0.811 10 0 CCAERO CCCCCNC(=O)[C@H](C)[NH2+]CC(=O)NCCC ZINC000035207096 172051869 /nfs/dbraw/zinc/05/18/69/172051869.db2.gz VPYRGNKGFKTVBC-NSHDSACASA-N 1 0 257.378 0.797 10 0 CCAERO CNC(=O)[C@@H](C)Oc1c(C[NH2+]C)cccc1OC ZINC000035413465 172185952 /nfs/dbraw/zinc/18/59/52/172185952.db2.gz VDXKHUVBACJJFQ-SECBINFHSA-N 1 0 252.314 0.928 10 0 CCAERO CC[NH+](CC)CCN1CC[NH+](CCC(=O)[O-])CC1 ZINC000035687334 172355565 /nfs/dbraw/zinc/35/55/65/172355565.db2.gz DFCJZFNAEHNFMA-UHFFFAOYSA-N 1 0 257.378 0.421 10 0 CCAERO C[C@H](NS(=O)(=O)[C@@H]1CCC[NH2+]C1)[C@@H]1CCCO1 ZINC000035735124 172387012 /nfs/dbraw/zinc/38/70/12/172387012.db2.gz CUSJTRNLQLDGGG-AXFHLTTASA-N 1 0 262.375 0.225 10 0 CCAERO C[C@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1ccco1 ZINC000035738266 172391625 /nfs/dbraw/zinc/39/16/25/172391625.db2.gz GWUIENYUVKMBDX-IUCAKERBSA-N 1 0 274.342 0.219 10 0 CCAERO CO[C@H]1C[NH2+]C[C@H]1NC(=O)/C=C/c1cccs1 ZINC000036236079 172533020 /nfs/dbraw/zinc/53/30/20/172533020.db2.gz NJOKHVUVDSYRIV-ZJRFNNFUSA-N 1 0 252.339 0.864 10 0 CCAERO CO[C@H]1C[NH2+]C[C@@H]1NC(=O)COc1ccccc1 ZINC000036236162 172533553 /nfs/dbraw/zinc/53/35/53/172533553.db2.gz BDUZOCODOHYEMB-RYUDHWBXSA-N 1 0 250.298 0.168 10 0 CCAERO COc1ccc(S(=O)(=O)NC2[C@H]3C[NH2+]C[C@@H]23)cc1C ZINC000036265398 172560236 /nfs/dbraw/zinc/56/02/36/172560236.db2.gz DWOCOTZSHDBULB-QYJAPNMZSA-N 1 0 282.365 0.500 10 0 CCAERO O=S(=O)(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCCC1 ZINC000036284660 172578665 /nfs/dbraw/zinc/57/86/65/172578665.db2.gz OSIHXLIQXVFMAQ-QJPTWQEYSA-N 1 0 273.402 0.305 10 0 CCAERO C[C@H]1CC[C@H](C(=O)NC2CCS(=O)(=O)CC2)C[NH2+]1 ZINC000036332153 172616636 /nfs/dbraw/zinc/61/66/36/172616636.db2.gz QUOWWASEHSRRNJ-UWVGGRQHSA-N 1 0 274.386 0.068 10 0 CCAERO CN(C[C@@H]([NH3+])Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000036870201 172768296 /nfs/dbraw/zinc/76/82/96/172768296.db2.gz DIPADOVDZUMBEB-UONOGXRCSA-N 1 0 282.409 0.675 10 0 CCAERO OCCn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H]1CCOC1 ZINC000037169322 173003569 /nfs/dbraw/zinc/00/35/69/173003569.db2.gz BMBQJDKBUGUWHN-AAEUAGOBSA-N 1 0 265.357 0.879 10 0 CCAERO CCNC(=O)CN(CC)C(=O)C[NH2+]C1CCCC1 ZINC000037495202 173234915 /nfs/dbraw/zinc/23/49/15/173234915.db2.gz ZTSUQIDHHMRDJO-UHFFFAOYSA-N 1 0 255.362 0.503 10 0 CCAERO COc1cccc(C[NH3+])c1OCCS(C)(=O)=O ZINC000037743815 173665867 /nfs/dbraw/zinc/66/58/67/173665867.db2.gz QOEYGVHCNCQBOU-UHFFFAOYSA-N 1 0 259.327 0.577 10 0 CCAERO O=S(=O)(NCC[C@H]1CCC[NH2+]C1)c1cn[nH]c1 ZINC000037745013 173667262 /nfs/dbraw/zinc/66/72/62/173667262.db2.gz JVNCJRCXEYMYJG-SECBINFHSA-N 1 0 258.347 0.078 10 0 CCAERO C[C@@H](NS(=O)(=O)N(C)C)c1ccc(C[NH3+])cc1 ZINC000037747933 173670515 /nfs/dbraw/zinc/67/05/15/173670515.db2.gz HKUBVWQTFKKWMJ-SECBINFHSA-N 1 0 257.359 0.602 10 0 CCAERO COC(=O)c1cc(C[NH2+]CCC(=O)N(C)C)oc1C ZINC000037752047 173676124 /nfs/dbraw/zinc/67/61/24/173676124.db2.gz COYVRNQFGVTJEK-UHFFFAOYSA-N 1 0 268.313 0.943 10 0 CCAERO COC(=O)[C@H]1CCCN1C(=O)CCC[NH2+]C(C)C ZINC000037804298 173744573 /nfs/dbraw/zinc/74/45/73/173744573.db2.gz IPLTXHFZKSIXGD-LLVKDONJSA-N 1 0 256.346 0.929 10 0 CCAERO CCC[C@@H]([NH3+])C(=O)N1CCC(C(=O)NCC)CC1 ZINC000037819035 173770484 /nfs/dbraw/zinc/77/04/84/173770484.db2.gz KJBCVFJKTDBPND-LLVKDONJSA-N 1 0 255.362 0.489 10 0 CCAERO CC[NH+]1CCC(NC[C@@H]2CCCO2)(C(=O)OC)CC1 ZINC000037957147 173899845 /nfs/dbraw/zinc/89/98/45/173899845.db2.gz LBAJLLWLPRNZNO-LBPRGKRZSA-N 1 0 270.373 0.783 10 0 CCAERO CCCN1C(=O)C[C@H]([NH2+]C[C@@H](C)N2CCCCC2)C1=O ZINC000038029194 174019866 /nfs/dbraw/zinc/01/98/66/174019866.db2.gz IMLNSGGKVNQTJW-OLZOCXBDSA-N 1 0 281.400 0.988 10 0 CCAERO C[C@@H](C[NH2+][C@H]1CCS(=O)(=O)C1)CN1CCCCC1 ZINC000038042082 174044196 /nfs/dbraw/zinc/04/41/96/174044196.db2.gz WKJICICQQMQZSB-STQMWFEESA-N 1 0 274.430 0.885 10 0 CCAERO O=C(Nc1cnccn1)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000038043261 174050209 /nfs/dbraw/zinc/05/02/09/174050209.db2.gz VPACMQYCIFDLJR-LBPRGKRZSA-N 1 0 275.356 0.632 10 0 CCAERO CS(=O)(=O)CCC[NH2+]CC(=O)NC1CCCC1 ZINC000038048175 174058871 /nfs/dbraw/zinc/05/88/71/174058871.db2.gz BDNGPDXWBKCMRN-UHFFFAOYSA-N 1 0 262.375 0.070 10 0 CCAERO CS(=O)(=O)CCC[NH2+]CC(=O)NC1CCCCC1 ZINC000038048181 174059052 /nfs/dbraw/zinc/05/90/52/174059052.db2.gz ITDZYHRWJMBGPA-UHFFFAOYSA-N 1 0 276.402 0.460 10 0 CCAERO NC(=O)c1cccc(C(=O)N[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000038049584 174060468 /nfs/dbraw/zinc/06/04/68/174060468.db2.gz RCJIGCFITQWTCN-NWDGAFQWSA-N 1 0 261.325 0.785 10 0 CCAERO Cn1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000038049962 174061820 /nfs/dbraw/zinc/06/18/20/174061820.db2.gz BTRFVBPNWSJCST-MNOVXSKESA-N 1 0 257.359 0.573 10 0 CCAERO COC(=O)c1ccccc1C[NH2+]C[C@H]1COCCO1 ZINC000038060909 174071690 /nfs/dbraw/zinc/07/16/90/174071690.db2.gz CTIVTHLABCQXFN-LBPRGKRZSA-N 1 0 265.309 0.978 10 0 CCAERO C[C@H]([NH2+]C[C@H]1COCCO1)C(=O)NC1CCCC1 ZINC000038061770 174073459 /nfs/dbraw/zinc/07/34/59/174073459.db2.gz FHBUQBZZMNZVFG-JQWIXIFHSA-N 1 0 256.346 0.439 10 0 CCAERO COC(=O)CN(C(=O)CC1CC[NH2+]CC1)C(C)C ZINC000038075860 174086221 /nfs/dbraw/zinc/08/62/21/174086221.db2.gz MWOFGXVNYCHIAW-UHFFFAOYSA-N 1 0 256.346 0.786 10 0 CCAERO COc1ccc(O[C@@H]2CCS(=O)(=O)C2)c(C[NH3+])c1 ZINC000038084436 174094416 /nfs/dbraw/zinc/09/44/16/174094416.db2.gz GBFKDUIDJLFWLD-LLVKDONJSA-N 1 0 271.338 0.720 10 0 CCAERO C[C@@H]([NH2+]C1CCC(C(N)=O)CC1)C(=O)N1CCCC1 ZINC000038092041 174105672 /nfs/dbraw/zinc/10/56/72/174105672.db2.gz MHNPAIAXSMHLJK-VOMCLLRMSA-N 1 0 267.373 0.631 10 0 CCAERO Cc1ncc(N)cc1C(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC000038094867 174108027 /nfs/dbraw/zinc/10/80/27/174108027.db2.gz CTRXCYQMGMHPQS-ZDUSSCGKSA-N 1 0 260.341 0.796 10 0 CCAERO CCCN(CC(=O)N(C)C)C(=O)C[NH2+][C@@H](C)CC ZINC000038101156 174116016 /nfs/dbraw/zinc/11/60/16/174116016.db2.gz GKVNXUZPUUCAPE-NSHDSACASA-N 1 0 257.378 0.701 10 0 CCAERO CCCC[C@@H]([NH3+])C(=O)N1CCCN(C(=O)CC)CC1 ZINC000038101625 174117994 /nfs/dbraw/zinc/11/79/94/174117994.db2.gz KLJYLYAPOCADDI-GFCCVEGCSA-N 1 0 269.389 0.975 10 0 CCAERO CCC(=O)N1CCCN(C(=O)[C@](C)([NH3+])C2CC2)CC1 ZINC000038101618 174118103 /nfs/dbraw/zinc/11/81/03/174118103.db2.gz YZISQYZFGJMBAM-CQSZACIVSA-N 1 0 267.373 0.585 10 0 CCAERO COCCCNc1nc[nH+]c(NN2CCN(C)CC2)c1N ZINC000040756828 174396034 /nfs/dbraw/zinc/39/60/34/174396034.db2.gz KJXFZHOQJQBIAP-UHFFFAOYSA-N 1 0 295.391 0.082 10 0 CCAERO [NH3+]C1(C(=O)NC[C@H]2CCC[C@@H]2O)CC2(CCC2)C1 ZINC000662549542 414727577 /nfs/dbraw/zinc/72/75/77/414727577.db2.gz UDXFFCGSUPJEGP-MNOVXSKESA-N 1 0 252.358 0.925 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)n2cc(N)cn2)C1 ZINC000662692789 414742313 /nfs/dbraw/zinc/74/23/13/414742313.db2.gz GMQATVHNVQCPKC-LBPRGKRZSA-N 1 0 279.388 0.801 10 0 CCAERO O=C(C[C@@H]1CCC[NH2+]C1)N1CC[C@@H]2COC[C@@H]2C1 ZINC000662710769 414744911 /nfs/dbraw/zinc/74/49/11/414744911.db2.gz JKPLAYWGXLWGIR-XQQFMLRXSA-N 1 0 252.358 0.871 10 0 CCAERO C[C@@H](NC(=O)[C@@H]1C[NH2+]CCOC1)c1cscn1 ZINC000662857534 414849570 /nfs/dbraw/zinc/84/95/70/414849570.db2.gz OBRSGOCIXRXCEG-RKDXNWHRSA-N 1 0 255.343 0.556 10 0 CCAERO O=C(NC/C=C\CO)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000662859442 414853030 /nfs/dbraw/zinc/85/30/30/414853030.db2.gz MWKLGTDEYIECDJ-LQKKCHKWSA-N 1 0 252.236 0.049 10 0 CCAERO Cc1cnc(C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)cn1 ZINC000662981138 414932581 /nfs/dbraw/zinc/93/25/81/414932581.db2.gz MOXXDWLXVOBSTM-QMMMGPOBSA-N 1 0 262.235 0.747 10 0 CCAERO CN(C(=O)Cc1ccncc1)[C@@H](C[NH3+])C(F)(F)F ZINC000662986347 414936348 /nfs/dbraw/zinc/93/63/48/414936348.db2.gz LQNQLEALYLOAIW-VIFPVBQESA-N 1 0 261.247 0.972 10 0 CCAERO C[C@]1(C(N)=O)CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000662903638 414882056 /nfs/dbraw/zinc/88/20/56/414882056.db2.gz ZGWJUIJWOGPTBY-XLDPMVHQSA-N 1 0 293.289 0.108 10 0 CCAERO C[C@@H](C[NH3+])CN(C)S(=O)(=O)N1CCC(C)CC1 ZINC000042455426 174747233 /nfs/dbraw/zinc/74/72/33/174747233.db2.gz NHLHAADJGMTJAQ-NSHDSACASA-N 1 0 263.407 0.490 10 0 CCAERO CCCCN(CC(N)=O)C(=O)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000042692091 174840514 /nfs/dbraw/zinc/84/05/14/174840514.db2.gz BZSDIRRXAWCWHK-GHMZBOCLSA-N 1 0 255.362 0.489 10 0 CCAERO O=S(=O)(C[C@@H]1CCC[NH2+]C1)NC[C@H]1CCCCO1 ZINC000042825891 174888304 /nfs/dbraw/zinc/88/83/04/174888304.db2.gz YLTIESUUXBXCMQ-VXGBXAGGSA-N 1 0 276.402 0.475 10 0 CCAERO CSc1ccnc(N2CCO[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC000663241174 415027416 /nfs/dbraw/zinc/02/74/16/415027416.db2.gz GVOHTZLCZOPSOL-DTWKUNHWSA-N 1 0 252.343 0.376 10 0 CCAERO CNC(=O)[C@H](C)Oc1cc2c(cc1C[NH3+])OCO2 ZINC000042873888 174898093 /nfs/dbraw/zinc/89/80/93/174898093.db2.gz MBIZGHIUFYFRSU-ZETCQYMHSA-N 1 0 252.270 0.387 10 0 CCAERO CCCc1nccnc1NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000663277062 415033424 /nfs/dbraw/zinc/03/34/24/415033424.db2.gz IJTAPGAPVSYBAR-UHFFFAOYSA-N 1 0 274.328 0.996 10 0 CCAERO Cc1cc(C)nc(NCc2nc(C[NH3+])cc(=O)[nH]2)n1 ZINC000663276980 415033538 /nfs/dbraw/zinc/03/35/38/415033538.db2.gz HJOPELRUZNMTDO-UHFFFAOYSA-N 1 0 260.301 0.660 10 0 CCAERO COc1cc(C)nc(NCc2nc(C[NH3+])cc(=O)[nH]2)n1 ZINC000663277216 415034258 /nfs/dbraw/zinc/03/42/58/415034258.db2.gz LQKCMGTUBWRAFM-UHFFFAOYSA-N 1 0 276.300 0.360 10 0 CCAERO NC(=O)[C@@H](c1ccc(O)c(Cl)c1)N1CCC[NH2+]CC1 ZINC000043489184 175056610 /nfs/dbraw/zinc/05/66/10/175056610.db2.gz FUJJHKBAXOCBCR-GFCCVEGCSA-N 1 0 283.759 0.867 10 0 CCAERO CN(C[C@@H]1CC[N@H+](C)C1)S(=O)(=O)c1cccc(N)c1 ZINC000071188153 176062843 /nfs/dbraw/zinc/06/28/43/176062843.db2.gz UPNMXVLSAUXCDR-LLVKDONJSA-N 1 0 283.397 0.841 10 0 CCAERO C[N@H+](C[C@@H]1CC[NH+](C)C1)C[C@]1(C(=O)[O-])CCOC1 ZINC000071191535 176069447 /nfs/dbraw/zinc/06/94/47/176069447.db2.gz NCEHCBOAPNQYNE-DGCLKSJQSA-N 1 0 256.346 0.361 10 0 CCAERO CN(Cn1nnc2ccccc2c1=O)[C@@H]1CC[NH2+]C1 ZINC000071310785 176117913 /nfs/dbraw/zinc/11/79/13/176117913.db2.gz MLFUDJKYRJCKAE-SNVBAGLBSA-N 1 0 259.313 0.043 10 0 CCAERO Cn1nccc1CNC(=O)c1cccc(CC[NH3+])c1 ZINC000071333034 176125913 /nfs/dbraw/zinc/12/59/13/176125913.db2.gz FENYENBMGAVSRC-UHFFFAOYSA-N 1 0 258.325 0.851 10 0 CCAERO Cc1cccnc1CNS(=O)(=O)C[C@H]1CCC[NH2+]1 ZINC000071345476 176131467 /nfs/dbraw/zinc/13/14/67/176131467.db2.gz XQCBELZEWUCRRY-LLVKDONJSA-N 1 0 269.370 0.561 10 0 CCAERO [NH3+]Cc1nnc(SCc2ncno2)n1C1CC1 ZINC000071376118 176141035 /nfs/dbraw/zinc/14/10/35/176141035.db2.gz CROAXAVFDHEDGX-UHFFFAOYSA-N 1 0 252.303 0.747 10 0 CCAERO COc1cc([C@](C)(C[NH3+])CO)cc(OC)c1OC ZINC000071576571 176204164 /nfs/dbraw/zinc/20/41/64/176204164.db2.gz RSDTYYCIRAFDPW-CYBMUJFWSA-N 1 0 255.314 0.921 10 0 CCAERO CCN([C@@H]1CCC[C@@H]1C[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000071586917 176213911 /nfs/dbraw/zinc/21/39/11/176213911.db2.gz CVVMFMUUJLERNJ-GRYCIOLGSA-N 1 0 260.403 0.623 10 0 CCAERO O=S(=O)(CC[NH2+]C1CC1)c1ccc2c(c1)OCCO2 ZINC000071633492 176237924 /nfs/dbraw/zinc/23/79/24/176237924.db2.gz CKWQSOYDJAEWIL-UHFFFAOYSA-N 1 0 283.349 0.984 10 0 CCAERO O=c1[nH]nc2c(N[C@H]3CC[NH2+]C3)nc3ccccc3n12 ZINC000073737276 176489560 /nfs/dbraw/zinc/48/95/60/176489560.db2.gz SCLKWYPZGCMEEK-QMMMGPOBSA-N 1 0 270.296 0.345 10 0 CCAERO C[NH2+]CCN(c1cccc(C(C)=O)c1)S(C)(=O)=O ZINC000076709603 177067474 /nfs/dbraw/zinc/06/74/74/177067474.db2.gz LQIUGRMFWOZOGV-UHFFFAOYSA-N 1 0 270.354 0.875 10 0 CCAERO CC(C)C[C@@H](C[NH3+])CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000076749785 177084922 /nfs/dbraw/zinc/08/49/22/177084922.db2.gz HIVJITNFRHIBRP-MNOVXSKESA-N 1 0 276.402 0.301 10 0 CCAERO C[NH2+]CCOCCc1ccc2c(c1)NC(=O)CO2 ZINC000077431507 177266768 /nfs/dbraw/zinc/26/67/68/177266768.db2.gz RRCHKFMYSADZAC-UHFFFAOYSA-N 1 0 250.298 0.796 10 0 CCAERO CC(C)(C)[C@H](C[NH3+])Cn1cc(S(C)(=O)=O)cn1 ZINC000725242083 545873863 /nfs/dbraw/zinc/87/38/63/545873863.db2.gz DVZQIJIPZHGBTE-SECBINFHSA-N 1 0 259.375 0.908 10 0 CCAERO CS(=O)(=O)c1cnn(-c2cccc(C[NH3+])n2)c1 ZINC000725251520 545875104 /nfs/dbraw/zinc/87/51/04/545875104.db2.gz AOKZFPDPRXGNBS-UHFFFAOYSA-N 1 0 252.299 0.130 10 0 CCAERO CC[NH2+]C[C@@H](O)CCCn1cc(S(C)(=O)=O)cn1 ZINC000725252941 545878313 /nfs/dbraw/zinc/87/83/13/545878313.db2.gz PVWNAZKTZDDXME-JTQLQIEISA-N 1 0 275.374 0.037 10 0 CCAERO COCCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC000725255468 545880595 /nfs/dbraw/zinc/88/05/95/545880595.db2.gz SNGFMTIYVRPTTP-VHSXEESVSA-N 1 0 260.334 0.596 10 0 CCAERO CS(=O)(=O)N1CC[C@@H]2CC[C@]21[C@@H]1CCC[NH2+]C1 ZINC000725263567 545882853 /nfs/dbraw/zinc/88/28/53/545882853.db2.gz RHNQOVWNVSPERD-QJPTWQEYSA-N 1 0 258.387 0.800 10 0 CCAERO C[C@H](O)C[N@H+](C)[C@H]1CC(=O)N[C@@H](C(F)(F)F)C1 ZINC000725263120 545883404 /nfs/dbraw/zinc/88/34/04/545883404.db2.gz OYSJPIUWMYQKAN-XLPZGREQSA-N 1 0 254.252 0.509 10 0 CCAERO O=C1C[C@H]([N@@H+]2CCC[C@@H](CO)C2)C[C@@H](C(F)(F)F)N1 ZINC000725263213 545883686 /nfs/dbraw/zinc/88/36/86/545883686.db2.gz XDSYFIITQPAQTN-BBBLOLIVSA-N 1 0 280.290 0.900 10 0 CCAERO CC(C)(C)OC(=O)N1CC(n2nccc2NC(=O)C[NH3+])C1 ZINC000725258824 545882599 /nfs/dbraw/zinc/88/25/99/545882599.db2.gz DWPCMBBEPISGNV-UHFFFAOYSA-N 1 0 295.343 0.572 10 0 CCAERO COCCNC(=O)N1CCC2(CCC[C@H]2[NH3+])CC1 ZINC000725264013 545885061 /nfs/dbraw/zinc/88/50/61/545885061.db2.gz FPYPWAVSYHSUGL-LLVKDONJSA-N 1 0 255.362 0.936 10 0 CCAERO COc1cc(-c2cnnn2[C@@H]2CC[NH2+]C2)sn1 ZINC000725266004 545885910 /nfs/dbraw/zinc/88/59/10/545885910.db2.gz GAGBXUPALFSQRP-SSDOTTSWSA-N 1 0 251.315 0.945 10 0 CCAERO OCCCc1cn([C@@H]2CCOC3(CC[NH2+]CC3)C2)nn1 ZINC000725271921 545887970 /nfs/dbraw/zinc/88/79/70/545887970.db2.gz DXKSEDBBZCFRMH-CYBMUJFWSA-N 1 0 280.372 0.677 10 0 CCAERO COCCC(=O)N1C[C@@H](C)OC2(CC[NH2+]CC2)C1 ZINC000725271334 545888353 /nfs/dbraw/zinc/88/83/53/545888353.db2.gz CXELFPKWEJCVQA-LLVKDONJSA-N 1 0 256.346 0.392 10 0 CCAERO CC(=O)c1cn([C@@H]2CCOC3(CC[NH2+]CC3)C2)nn1 ZINC000725272860 545888575 /nfs/dbraw/zinc/88/85/75/545888575.db2.gz STKCZRZBPCVHIL-LLVKDONJSA-N 1 0 264.329 0.954 10 0 CCAERO CCOC(=O)[C@@H]1CCCN([C@@H]2COC[C@@H]2C[NH+](C)C)C1 ZINC000725273846 545889156 /nfs/dbraw/zinc/88/91/56/545889156.db2.gz NBZDUCDJTHPBKE-HZSPNIEDSA-N 1 0 284.400 0.838 10 0 CCAERO C[C@@H]([NH2+]Cc1cn[nH]c1)c1ccc(S(N)(=O)=O)cc1 ZINC000038006223 544423380 /nfs/dbraw/zinc/42/33/80/544423380.db2.gz RQBQLRZXCUVGEE-SECBINFHSA-N 1 0 280.353 0.908 10 0 CCAERO CNC(=O)[C@H]1CCCN1C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054291797 544442852 /nfs/dbraw/zinc/44/28/52/544442852.db2.gz JCHUXONJBZHULK-WDEREUQCSA-N 1 0 253.346 0.113 10 0 CCAERO C[C@]1(C(=O)Nc2ccc(CS(N)(=O)=O)cc2)CCC[NH2+]1 ZINC000079515392 544474018 /nfs/dbraw/zinc/47/40/18/544474018.db2.gz PLQDLJATAGYYFD-CYBMUJFWSA-N 1 0 297.380 0.556 10 0 CCAERO CC(C)(CNC(=O)C1CCC([NH3+])CC1)S(C)(=O)=O ZINC000093525557 544541816 /nfs/dbraw/zinc/54/18/16/544541816.db2.gz MHOHBXKSMQCKAY-UHFFFAOYSA-N 1 0 276.402 0.443 10 0 CCAERO C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)o1)[C@@H]1CCCO1 ZINC000088538906 544508434 /nfs/dbraw/zinc/50/84/34/544508434.db2.gz JVFPKUFRQIWBBR-WPRPVWTQSA-N 1 0 274.342 0.584 10 0 CCAERO CN(CC(=O)NC(C)(C)C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089455549 544512803 /nfs/dbraw/zinc/51/28/03/544512803.db2.gz UXOGKABFURGTEM-GHMZBOCLSA-N 1 0 269.389 0.735 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCC(NC(=O)C2CC2)CC1 ZINC000089456807 544513793 /nfs/dbraw/zinc/51/37/93/544513793.db2.gz WDJLRIGAVDNEEN-JSGCOSHPSA-N 1 0 293.411 0.879 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCN(C2CC2)CC1 ZINC000089457981 544514484 /nfs/dbraw/zinc/51/44/84/544514484.db2.gz FQPWSFKOKKFDIB-WCQYABFASA-N 1 0 251.374 0.668 10 0 CCAERO NC(=O)CN(C(=O)[C@H]1CCC[C@@H]1C[NH3+])C1CCCC1 ZINC000089456922 544515074 /nfs/dbraw/zinc/51/50/74/544515074.db2.gz UIOMOVSLXAOIPL-PWSUYJOCSA-N 1 0 267.373 0.618 10 0 CCAERO NC(=O)CC1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089457541 544515077 /nfs/dbraw/zinc/51/50/77/544515077.db2.gz QJIYHNALYLCLOT-NWDGAFQWSA-N 1 0 267.373 0.475 10 0 CCAERO CCC(=O)N1CCCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091544656 544527858 /nfs/dbraw/zinc/52/78/58/544527858.db2.gz JTNXNBAREQCVOC-NEPJUHHUSA-N 1 0 267.373 0.585 10 0 CCAERO NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1 ZINC000097092367 544553073 /nfs/dbraw/zinc/55/30/73/544553073.db2.gz CTCOXCJRELTBHB-IUCAKERBSA-N 1 0 283.353 0.400 10 0 CCAERO Cc1nnc2c(NCC3([NH3+])CCOCC3)nccn12 ZINC000630524773 419460727 /nfs/dbraw/zinc/46/07/27/419460727.db2.gz XPWUVKQLRUDEKI-UHFFFAOYSA-N 1 0 262.317 0.353 10 0 CCAERO COCC[N@@H+]1CCN(Cc2cncnc2)C[C@@H]1C ZINC000120775381 544572478 /nfs/dbraw/zinc/57/24/78/544572478.db2.gz YFGDJIDUBCHLBS-LBPRGKRZSA-N 1 0 250.346 0.629 10 0 CCAERO CCOc1cc(N2CCN(C)C[C@@H]2C[NH3+])nc(C)n1 ZINC000122785367 544582375 /nfs/dbraw/zinc/58/23/75/544582375.db2.gz XKCHNKBWKDREJW-NSHDSACASA-N 1 0 265.361 0.263 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCCn1ccnn1 ZINC000127264912 544604542 /nfs/dbraw/zinc/60/45/42/544604542.db2.gz BSJXAFZCAIHLLP-WDEREUQCSA-N 1 0 251.334 0.173 10 0 CCAERO COc1cccc(S(=O)(=O)N2CCC[C@H]2C[NH3+])c1 ZINC000131730750 544620230 /nfs/dbraw/zinc/62/02/30/544620230.db2.gz QYQRXZNIEMXEJW-JTQLQIEISA-N 1 0 270.354 0.807 10 0 CCAERO CC[NH+](CC)CCNC(=O)N1CCC[C@@H]1C(=O)NC ZINC000154806648 544672379 /nfs/dbraw/zinc/67/23/79/544672379.db2.gz BIKCNRDVOOZDHX-LLVKDONJSA-N 1 0 270.377 0.248 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000136460546 544638860 /nfs/dbraw/zinc/63/88/60/544638860.db2.gz AWCQUGDNKCDNDF-CHWSQXEVSA-N 1 0 269.389 0.293 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H](C)CN1CCCC1=O ZINC000136371287 544638991 /nfs/dbraw/zinc/63/89/91/544638991.db2.gz PMOHKRYVPKWUCF-MNOVXSKESA-N 1 0 255.362 0.487 10 0 CCAERO COCCn1cc(NC(=O)C[C@H]([NH3+])C(C)C)cn1 ZINC000136358562 544639070 /nfs/dbraw/zinc/63/90/70/544639070.db2.gz DQRFTGXJPFIKOT-NSHDSACASA-N 1 0 254.334 0.841 10 0 CCAERO [NH3+]CC1(C(=O)N[C@@H]2CCC[C@H](O)C2)CCOCC1 ZINC000138161239 544641611 /nfs/dbraw/zinc/64/16/11/544641611.db2.gz JBYMNJYTFIXEDG-MNOVXSKESA-N 1 0 256.346 0.162 10 0 CCAERO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H](C)N1CCOCC1 ZINC000182277846 544762613 /nfs/dbraw/zinc/76/26/13/544762613.db2.gz KRWJOXGPVJIQKZ-RYUDHWBXSA-N 1 0 278.418 0.120 10 0 CCAERO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000182568002 544763207 /nfs/dbraw/zinc/76/32/07/544763207.db2.gz VWGVZQNHDSUQTL-QWHCGFSZSA-N 1 0 292.445 0.246 10 0 CCAERO C[C@H]([NH2+]CC(=O)N(C)Cc1cnn(C)c1)[C@H]1CCCO1 ZINC000183136463 544765030 /nfs/dbraw/zinc/76/50/30/544765030.db2.gz GDOPHWJSPBJSJI-WCQYABFASA-N 1 0 280.372 0.536 10 0 CCAERO CNC(=O)[C@H]([NH2+]CC(=O)N[C@H](C)C(C)C)C(C)C ZINC000183661799 544770199 /nfs/dbraw/zinc/77/01/99/544770199.db2.gz IDYOUFPFBYDKAP-ZYHUDNBSSA-N 1 0 257.378 0.507 10 0 CCAERO CC[C@@H]1CN(C(=O)CCc2c[nH]cn2)CC[N@@H+]1CCOC ZINC000193292983 544804093 /nfs/dbraw/zinc/80/40/93/544804093.db2.gz DKNUJBIVFUWNED-CQSZACIVSA-N 1 0 294.399 0.912 10 0 CCAERO C[NH+](C)[C@@H]1CCN(S(=O)(=O)CC[C@H]2CCCO2)C1 ZINC000246053018 544907867 /nfs/dbraw/zinc/90/78/67/544907867.db2.gz UTEDVVWIRQTPDS-VXGBXAGGSA-N 1 0 276.402 0.521 10 0 CCAERO C[C@H](Cn1cccn1)NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000251696050 544927490 /nfs/dbraw/zinc/92/74/90/544927490.db2.gz MINWRXINWWZUOL-GRYCIOLGSA-N 1 0 250.346 0.763 10 0 CCAERO C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000251574314 544927681 /nfs/dbraw/zinc/92/76/81/544927681.db2.gz BUFJDSSPRVMSJO-NOOOWODRSA-N 1 0 267.373 0.474 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cnn(C)c1N ZINC000252689086 544930741 /nfs/dbraw/zinc/93/07/41/544930741.db2.gz QDQCHURNGHCCGY-ZJUUUORDSA-N 1 0 263.345 0.311 10 0 CCAERO [NH3+]C[C@H]1CCC[C@H]1C(=O)NCc1nncn1C1CC1 ZINC000261787300 544937290 /nfs/dbraw/zinc/93/72/90/544937290.db2.gz PVUNKHOYVOYABM-MWLCHTKSSA-N 1 0 263.345 0.604 10 0 CCAERO Cn1cnnc1C1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261882911 544937810 /nfs/dbraw/zinc/93/78/10/544937810.db2.gz UJOVIIYERLGBKS-CHWSQXEVSA-N 1 0 291.399 0.896 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1c[nH]nc1-c1ccccc1 ZINC000262068284 544937979 /nfs/dbraw/zinc/93/79/79/544937979.db2.gz BJMGJTRTOVZLFX-WCQYABFASA-N 1 0 286.335 0.387 10 0 CCAERO Cc1cccc(OCC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262097978 544939262 /nfs/dbraw/zinc/93/92/62/544939262.db2.gz DMJRVPUQPQTBTG-YPMHNXCESA-N 1 0 264.325 0.070 10 0 CCAERO CCCN(C)c1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262100030 544939542 /nfs/dbraw/zinc/93/95/42/544939542.db2.gz DRKYSDMUEUMWLJ-DZGCQCFKSA-N 1 0 291.395 0.843 10 0 CCAERO Cc1ccccc1CCC(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262103772 544939550 /nfs/dbraw/zinc/93/95/50/544939550.db2.gz DYFDTLHZNVOIHO-UONOGXRCSA-N 1 0 262.353 0.624 10 0 CCAERO Cc1ccc(SCC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262121652 544940366 /nfs/dbraw/zinc/94/03/66/544940366.db2.gz FYWGVVTZFNWJGM-YPMHNXCESA-N 1 0 280.393 0.784 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc(F)cc1Cl ZINC000262113139 544941019 /nfs/dbraw/zinc/94/10/19/544941019.db2.gz FMUIKQGLSCVYRI-RDDDGLTNSA-N 1 0 272.707 0.789 10 0 CCAERO O[C@@H]1C[NH2+]C[C@H]1CNCc1nccn1CC(F)(F)F ZINC000262105550 544941273 /nfs/dbraw/zinc/94/12/73/544941273.db2.gz JLPSUQBRSXYPOJ-DTWKUNHWSA-N 1 0 278.278 0.115 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)C1=Cc2ccccc2OC1 ZINC000262137179 544941971 /nfs/dbraw/zinc/94/19/71/544941971.db2.gz GWTVGTJYYNESIV-OLZOCXBDSA-N 1 0 274.320 0.159 10 0 CCAERO C[C@H](NC(=O)NCC[C@H]1CC[NH2+]C1)[C@H]1CCCO1 ZINC000333802146 545043595 /nfs/dbraw/zinc/04/35/95/545043595.db2.gz OGCXSPXOIHGABG-QJPTWQEYSA-N 1 0 255.362 0.853 10 0 CCAERO CN(C[C@@H]1CCC[C@@H]1O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333843782 545043770 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O=C(N[C@@H]1c2ccccc2C[C@H]1O)[C@H]1CCC[NH2+]C1 ZINC000311305069 262250216 /nfs/dbraw/zinc/25/02/16/262250216.db2.gz LSERNWFFCVJJSR-IACUBPJLSA-N 1 0 260.337 0.761 10 0 CCAERO CC(C)SCC(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000518982042 265275122 /nfs/dbraw/zinc/27/51/22/265275122.db2.gz LCFBRZWBNFPHNV-QWRGUYRKSA-N 1 0 258.387 0.717 10 0 CCAERO CCC[C@H](C(=O)N[C@H]1C(=O)NCC[C@H]1C)[NH+](C)C ZINC000195179983 265310615 /nfs/dbraw/zinc/31/06/15/265310615.db2.gz ZXJBOTBLIUCVBF-GMTAPVOTSA-N 1 0 255.362 0.358 10 0 CCAERO CCOC(=O)N1CCC(NC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000097092688 265410210 /nfs/dbraw/zinc/41/02/10/265410210.db2.gz MFSBHUHMTQBYHN-QWRGUYRKSA-N 1 0 283.372 0.851 10 0 CCAERO C[C@@H]1C[N@@H+]([C@H]2CCc3ccccc3NC2=O)C[C@H]1C(N)=O ZINC000286040373 274359907 /nfs/dbraw/zinc/35/99/07/274359907.db2.gz DUXPUSIPEGOUNZ-QKCSRTOESA-N 1 0 287.363 0.993 10 0 CCAERO COC[C@@H](O)C[NH+]1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000171973362 335087062 /nfs/dbraw/zinc/08/70/62/335087062.db2.gz 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CCN[C@H](CC[N@H+](C)CCc1ccccn1)C(N)=O ZINC000062438899 520184665 /nfs/dbraw/zinc/18/46/65/520184665.db2.gz YKEUMIFYWNQGEN-CYBMUJFWSA-N 1 0 264.373 0.409 10 0 CCAERO CCNc1ccc(C(=O)NC[C@@H]2CC[N@H+](C)C2)nn1 ZINC000050770121 520287514 /nfs/dbraw/zinc/28/75/14/520287514.db2.gz OBAZNBMHEKFRFO-JTQLQIEISA-N 1 0 263.345 0.590 10 0 CCAERO CCN(CC)C(=O)N1CCN(C(=O)[C@@H](C)C2C[NH2+]C2)CC1 ZINC000164261226 520505546 /nfs/dbraw/zinc/50/55/46/520505546.db2.gz VVNHAIVRUFBPGR-LBPRGKRZSA-N 1 0 296.415 0.448 10 0 CCAERO CC[NH+](CC)C1CCN(C(=O)c2nonc2N)CC1 ZINC000054431651 520568481 /nfs/dbraw/zinc/56/84/81/520568481.db2.gz BXPDUDGJNZSECX-UHFFFAOYSA-N 1 0 267.333 0.598 10 0 CCAERO CC1(CNC(=O)C2([NH3+])Cc3ccccc3C2)COC1 ZINC000157732755 520703991 /nfs/dbraw/zinc/70/39/91/520703991.db2.gz AFMDSECYZFOTBM-UHFFFAOYSA-N 1 0 260.337 0.635 10 0 CCAERO CCN(CCC(=O)OC)C(=O)[C@@H]([NH3+])CCSC ZINC000157353488 520991720 /nfs/dbraw/zinc/99/17/20/520991720.db2.gz RZAGRPOWPWUENT-VIFPVBQESA-N 1 0 262.375 0.478 10 0 CCAERO CCOC(=O)[C@@H](N)CCN1CCC([NH+](C)C)CC1 ZINC000062449394 521070023 /nfs/dbraw/zinc/07/00/23/521070023.db2.gz KMSOCZNDOVHSKX-LBPRGKRZSA-N 1 0 257.378 0.293 10 0 CCAERO CCC(CC)(CO)CNC(=O)[C@H]([NH3+])CCSC ZINC000157978228 521452986 /nfs/dbraw/zinc/45/29/86/521452986.db2.gz NZZYADQMQDVTSN-SNVBAGLBSA-N 1 0 262.419 0.982 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cccnc1N ZINC000050649146 521658258 /nfs/dbraw/zinc/65/82/58/521658258.db2.gz KXLRYOLTTUOEPW-JTQLQIEISA-N 1 0 284.385 0.426 10 0 CCAERO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)c1cn[nH]c1 ZINC000061655405 521871384 /nfs/dbraw/zinc/87/13/84/521871384.db2.gz CBCLNEGXVLWFSE-SECBINFHSA-N 1 0 258.347 0.124 10 0 CCAERO CNC(=O)c1ccccc1NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000163852453 521917580 /nfs/dbraw/zinc/91/75/80/521917580.db2.gz GOUZQLDFSLWOAU-SECBINFHSA-N 1 0 261.325 0.840 10 0 CCAERO C[NH2+]CCS(=O)(=O)Nc1ccc(OC)cc1OC ZINC000049629893 522016680 /nfs/dbraw/zinc/01/66/80/522016680.db2.gz VNTYEMKBFSXEPN-UHFFFAOYSA-N 1 0 274.342 0.665 10 0 CCAERO CC[C@@H](C)[NH+]1CCN(C[C@@]2(CO)CCOC2)CC1 ZINC000055072929 522123215 /nfs/dbraw/zinc/12/32/15/522123215.db2.gz JJAUBZBGXOHVKJ-ZIAGYGMSSA-N 1 0 256.390 0.802 10 0 CCAERO C[NH2+]Cc1cn(CCN2C[C@@H](C)O[C@@H](C)C2)nn1 ZINC000052380540 522147193 /nfs/dbraw/zinc/14/71/93/522147193.db2.gz QIUBWOJTLWOCQZ-PHIMTYICSA-N 1 0 253.350 0.107 10 0 CCAERO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)C2C[NH2+]C2)c1 ZINC000163981154 522308065 /nfs/dbraw/zinc/30/80/65/522308065.db2.gz XQVWLFRWSJBEPN-SECBINFHSA-N 1 0 297.380 0.389 10 0 CCAERO C[NH2+][C@@H]1COc2cc(OCCOCCO)ccc21 ZINC000062804045 522401102 /nfs/dbraw/zinc/40/11/02/522401102.db2.gz ZDMWLPISJUQYIX-GFCCVEGCSA-N 1 0 253.298 0.727 10 0 CCAERO CC[C@@H]([NH2+][C@@H]1CS(=O)(=O)C[C@@H]1O)c1cccs1 ZINC000049530600 522929370 /nfs/dbraw/zinc/92/93/70/522929370.db2.gz JFJNJBPTBPWDAY-BBBLOLIVSA-N 1 0 275.395 0.947 10 0 CCAERO COC(=O)CCCN(C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054307983 523006355 /nfs/dbraw/zinc/00/63/55/523006355.db2.gz IPIJZZIINGEFOV-NSHDSACASA-N 1 0 256.346 0.788 10 0 CCAERO CCn1c(S[C@@H](C[NH3+])c2ccco2)n[nH]c1=O ZINC000061594414 523245522 /nfs/dbraw/zinc/24/55/22/523245522.db2.gz VMTMHEPZGGCGMC-QMMMGPOBSA-N 1 0 254.315 0.976 10 0 CCAERO COCCCNC(=O)[C@@H](C)[NH+]1CCC(n2cncn2)CC1 ZINC000156562363 523346142 /nfs/dbraw/zinc/34/61/42/523346142.db2.gz GUFMHFSIQSCCIB-GFCCVEGCSA-N 1 0 295.387 0.456 10 0 CCAERO CC[C@@](C)(C[NH3+])CN1CCN(c2ncccn2)CC1 ZINC000051212756 523640095 /nfs/dbraw/zinc/64/00/95/523640095.db2.gz CFMZEVYFYAAMGT-AWEZNQCLSA-N 1 0 263.389 0.974 10 0 CCAERO CN(C(=O)CC[C@H]1CCCC[NH2+]1)[C@H]1CCS(=O)(=O)C1 ZINC000050943165 523808362 /nfs/dbraw/zinc/80/83/62/523808362.db2.gz BTZMDMBMHRCIOA-NEPJUHHUSA-N 1 0 288.413 0.554 10 0 CCAERO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(N)nc2)C1 ZINC000050671863 523839961 /nfs/dbraw/zinc/83/99/61/523839961.db2.gz GZQQUJSZPNJNML-SNVBAGLBSA-N 1 0 284.385 0.284 10 0 CCAERO COCC[NH2+]Cc1cccc(O[C@@H](C)C(N)=O)c1 ZINC000062731621 523954826 /nfs/dbraw/zinc/95/48/26/523954826.db2.gz QZPRBKSHPDXTCV-JTQLQIEISA-N 1 0 252.314 0.675 10 0 CCAERO CC[C@H](C)[NH+]1CCN(C[C@H]([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000055070402 523955063 /nfs/dbraw/zinc/95/50/63/523955063.db2.gz CGSNXJQKVRLPJW-AAEUAGOBSA-N 1 0 269.389 0.608 10 0 CCAERO C[NH+](C)CCCNC(=S)NCC[C@@H]1CCCO1 ZINC000055353343 524057027 /nfs/dbraw/zinc/05/70/27/524057027.db2.gz IBCHFYOAFFBFJP-NSHDSACASA-N 1 0 259.419 0.971 10 0 CCAERO C[C@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)N(C)CC(=O)N(C)C ZINC000055126825 524144659 /nfs/dbraw/zinc/14/46/59/524144659.db2.gz PSWHNMOJHXYFNQ-HOSYDEDBSA-N 1 0 255.362 0.297 10 0 CCAERO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1cc(N)cs1 ZINC000049554837 524165520 /nfs/dbraw/zinc/16/55/20/524165520.db2.gz WUHHZBAUGFQOTB-MRVPVSSYSA-N 1 0 277.415 0.949 10 0 CCAERO C[C@H](CC[NH2+]C(C)(C)C)N1CCN(S(C)(=O)=O)CC1 ZINC000062097209 524194253 /nfs/dbraw/zinc/19/42/53/524194253.db2.gz MWWFEYAPCDQZBE-GFCCVEGCSA-N 1 0 291.461 0.730 10 0 CCAERO C[C@@H](NC(=O)CN1CCC[NH2+]CC1)c1cccnc1 ZINC000061269619 525104358 /nfs/dbraw/zinc/10/43/58/525104358.db2.gz SQJAWYCOACVGCV-GFCCVEGCSA-N 1 0 262.357 0.554 10 0 CCAERO C[C@@H]1C[C@@H](C(=O)NC[C@@H]2COCCO2)CC[C@@H]1[NH3+] ZINC000055132784 525187515 /nfs/dbraw/zinc/18/75/15/525187515.db2.gz QKNCMQVHICYMBN-KXNHARMFSA-N 1 0 256.346 0.282 10 0 CCAERO CCC(CC)(CCO)CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262384542 534914361 /nfs/dbraw/zinc/91/43/61/534914361.db2.gz LYRATFQXIBHJOF-MNOVXSKESA-N 1 0 258.362 0.014 10 0 CCAERO O=C(CC[N@H+]1C[C@@H](O)C[C@@H]1CO)Nc1cccc(F)c1 ZINC000184725277 526494109 /nfs/dbraw/zinc/49/41/09/526494109.db2.gz QOVJHBLSWCOAPE-OLZOCXBDSA-N 1 0 282.315 0.582 10 0 CCAERO O=C(CC[N@H+]1C[C@H](O)C[C@@H]1CO)c1ccc(F)cc1 ZINC000184730586 526495655 /nfs/dbraw/zinc/49/56/55/526495655.db2.gz TYNCYDYTBCDZLQ-CHWSQXEVSA-N 1 0 267.300 0.826 10 0 CCAERO COCc1n[nH]c(CNC(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)n1 ZINC000666120813 545113505 /nfs/dbraw/zinc/11/35/05/545113505.db2.gz UBHGAKVEIOIDHV-UWVGGRQHSA-N 1 0 296.375 0.043 10 0 CCAERO O=C(NC[C@H]1CSCCS1)[C@H]1CCC[NH2+]C1 ZINC000157639909 526625660 /nfs/dbraw/zinc/62/56/60/526625660.db2.gz XKGMTFGRFWARKQ-UWVGGRQHSA-N 1 0 260.428 0.951 10 0 CCAERO NC(=O)CN(Cc1ccnc(Cl)c1)C1CC[NH2+]CC1 ZINC000052709516 526881343 /nfs/dbraw/zinc/88/13/43/526881343.db2.gz BIAANMPVMROEKN-UHFFFAOYSA-N 1 0 282.775 0.774 10 0 CCAERO NC(=O)[C@@H]([NH3+])CCOc1c(F)c(F)c(F)c(F)c1F ZINC000062595111 526954290 /nfs/dbraw/zinc/95/42/90/526954290.db2.gz FKIPZKIPQZTEPU-VKHMYHEASA-N 1 0 284.184 0.964 10 0 CCAERO NC(=O)[C@@H]1CCCCN1C(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050945997 526960374 /nfs/dbraw/zinc/96/03/74/526960374.db2.gz DWVOTWRYNXKDHO-RYUDHWBXSA-N 1 0 267.373 0.775 10 0 CCAERO NC(=O)[C@H]([NH3+])CCSc1ncnc2ccccc21 ZINC000062601282 526993490 /nfs/dbraw/zinc/99/34/90/526993490.db2.gz WSMMAPLPPZJLNH-SECBINFHSA-N 1 0 262.338 0.925 10 0 CCAERO O=C(CS(=O)(=O)C[C@@H]1CCC[NH2+]C1)N1CCCC1 ZINC000058259190 527004669 /nfs/dbraw/zinc/00/46/69/527004669.db2.gz BYGXVDRYDSTSCC-LLVKDONJSA-N 1 0 274.386 0.023 10 0 CCAERO [NH3+]CCc1ccc(CNS(=O)(=O)c2cn[nH]c2)cc1 ZINC000052899244 527196245 /nfs/dbraw/zinc/19/62/45/527196245.db2.gz OBSKVBKAVXILAG-UHFFFAOYSA-N 1 0 280.353 0.389 10 0 CCAERO [NH3+]C[C@H](C(=O)N1CCS(=O)CC1)c1ccccc1 ZINC000061612956 527222014 /nfs/dbraw/zinc/22/20/14/527222014.db2.gz KZSOLESRHZZNDX-LBPRGKRZSA-N 1 0 266.366 0.320 10 0 CCAERO O=S(=O)(N[C@H]1CC12CC[NH2+]CC2)c1ccco1 ZINC000366357827 527240617 /nfs/dbraw/zinc/24/06/17/527240617.db2.gz JJJXGKANJBEIRM-VIFPVBQESA-N 1 0 256.327 0.700 10 0 CCAERO [NH3+]Cc1ccc(S(=O)(=O)NC[C@@H]2CCOC2)s1 ZINC000061147673 527257078 /nfs/dbraw/zinc/25/70/78/527257078.db2.gz XOSKTAWXTGOSKD-QMMMGPOBSA-N 1 0 276.383 0.522 10 0 CCAERO O=S1(=O)CC[C@H](C[NH2+]CCCN2CCCC2)C1 ZINC000049332587 527311993 /nfs/dbraw/zinc/31/19/93/527311993.db2.gz GRWOYPIAEFQDOH-GFCCVEGCSA-N 1 0 260.403 0.497 10 0 CCAERO Cn1ccnc1CCNC(=O)c1cc[nH+]c(NN)c1 ZINC000051118886 527428956 /nfs/dbraw/zinc/42/89/56/527428956.db2.gz MZZMVCUXLQVFFH-UHFFFAOYSA-N 1 0 260.301 0.073 10 0 CCAERO Nc1cc(NC(=O)CC[N@@H+]2CC[C@H](O)C2)ccc1F ZINC000061709625 527457814 /nfs/dbraw/zinc/45/78/14/527457814.db2.gz UVMXHQPRYWKLDC-JTQLQIEISA-N 1 0 267.304 0.803 10 0 CCAERO OCC1(CN2CC[NH+](CC3CC3)CC2)CCOCC1 ZINC000052199925 527522268 /nfs/dbraw/zinc/52/22/68/527522268.db2.gz ZJXBZESMPHESBS-UHFFFAOYSA-N 1 0 268.401 0.803 10 0 CCAERO O=C(NC1C[NH2+]C1)c1ccncc1Br ZINC000307140333 527543565 /nfs/dbraw/zinc/54/35/65/527543565.db2.gz HYPKRZNWIZGAFG-UHFFFAOYSA-N 1 0 256.103 0.546 10 0 CCAERO Cc1nn(CC(=O)NCC(F)(F)F)c(C)c1C[NH3+] ZINC000049310240 527701877 /nfs/dbraw/zinc/70/18/77/527701877.db2.gz WINPGWAVYKVWHA-UHFFFAOYSA-N 1 0 264.251 0.637 10 0 CCAERO CCOc1ccc(C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000424059738 528393570 /nfs/dbraw/zinc/39/35/70/528393570.db2.gz OZAAHGAMDGTPBV-UONOGXRCSA-N 1 0 276.336 0.898 10 0 CCAERO O[C@]1(Cn2ccnn2)CC[N@H+](CCc2ccccc2)C1 ZINC000671492069 545249707 /nfs/dbraw/zinc/24/97/07/545249707.db2.gz MRCMBCUKZLUSNX-OAHLLOKOSA-N 1 0 272.352 0.958 10 0 CCAERO O[C@@]1(Cn2ccnn2)CC[N@H+](CCOCC(F)(F)F)C1 ZINC000671554488 545253961 /nfs/dbraw/zinc/25/39/61/545253961.db2.gz BPRRZMFFKBJZHL-JTQLQIEISA-N 1 0 294.277 0.294 10 0 CCAERO CC(C)Oc1cccc(CC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000262213976 535033203 /nfs/dbraw/zinc/03/32/03/535033203.db2.gz IYSLFJVNFXLLGD-DZGCQCFKSA-N 1 0 292.379 0.713 10 0 CCAERO CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1COC2(CCCC2)O1 ZINC000262533129 535056633 /nfs/dbraw/zinc/05/66/33/535056633.db2.gz IYYRSMCTWIYROK-MNOVXSKESA-N 1 0 256.346 0.772 10 0 CCAERO CC(C)[C@H](c1nc([C@@H]2C[NH2+]CCN2C)no1)N(C)C ZINC000263241456 535170290 /nfs/dbraw/zinc/17/02/90/535170290.db2.gz ORDXYQPNWXNEBH-WDEREUQCSA-N 1 0 267.377 0.904 10 0 CCAERO Cn1nc(Br)cc1C1=C[C@@H]([NH3+])CNC1 ZINC000675078491 545321245 /nfs/dbraw/zinc/32/12/45/545321245.db2.gz QDDSFIABDHFPLJ-SSDOTTSWSA-N 1 0 257.135 0.497 10 0 CCAERO Cn1ncc(Br)c1CC1=C[C@H](O)C[NH2+]C1 ZINC000675077863 545321354 /nfs/dbraw/zinc/32/13/54/545321354.db2.gz SMPMGACNXCTLHH-QMMMGPOBSA-N 1 0 272.146 0.616 10 0 CCAERO CC(C)CCO[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)C1 ZINC000262527706 535386063 /nfs/dbraw/zinc/38/60/63/535386063.db2.gz OYYHCOSJKVIQRU-XQQFMLRXSA-N 1 0 270.373 0.373 10 0 CCAERO CCOCCC1(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CCCC1 ZINC000262548230 535482299 /nfs/dbraw/zinc/48/22/99/535482299.db2.gz SMYPUSFIKWVTER-OLZOCXBDSA-N 1 0 284.400 0.812 10 0 CCAERO CC[NH+](CC)CCNC(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000173265641 535532428 /nfs/dbraw/zinc/53/24/28/535532428.db2.gz FGRGDCPDLIXPTK-CYBMUJFWSA-N 1 0 294.403 0.966 10 0 CCAERO CCN(CC)c1ncc(CNC[C@H]2C[NH2+]C[C@H]2O)s1 ZINC000263281862 535693358 /nfs/dbraw/zinc/69/33/58/535693358.db2.gz UKUPPGDVCNCVKT-CMPLNLGQSA-N 1 0 284.429 0.659 10 0 CCAERO CCOc1ccc(CNC[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000263227140 535725365 /nfs/dbraw/zinc/72/53/65/535725365.db2.gz MYGPDMIFZGBYBR-TZMCWYRMSA-N 1 0 250.342 0.755 10 0 CCAERO CN[C@H](C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)c1cnn(C)c1 ZINC000262318506 536380817 /nfs/dbraw/zinc/38/08/17/536380817.db2.gz DVNGHHVPFGCENM-UBHSHLNASA-N 1 0 291.399 0.376 10 0 CCAERO C[NH2+][C@H](C(=O)N1C[C@H]2CCC[C@@H]2C1)c1cnn(C)c1 ZINC000262582521 536381066 /nfs/dbraw/zinc/38/10/66/536381066.db2.gz UTUVAHJWMZORCN-WZRBSPASSA-N 1 0 262.357 0.939 10 0 CCAERO C[NH2+][C@H](C)CNC(=O)[C@@H](C)NC(=O)COc1ccccc1 ZINC000261868653 536398302 /nfs/dbraw/zinc/39/83/02/536398302.db2.gz ZKKGIPPZWGMQFR-VXGBXAGGSA-N 1 0 293.367 0.294 10 0 CCAERO COc1ccc(C[C@@H](C)NC(=O)C2C[NH2+]C2)cc1OC ZINC000263323452 536498516 /nfs/dbraw/zinc/49/85/16/536498516.db2.gz SAMHCKAUQSLKCN-SNVBAGLBSA-N 1 0 278.352 0.970 10 0 CCAERO COC(=O)c1cc(CNC(=O)C2C[NH2+]C2)oc1C ZINC000263271893 536885072 /nfs/dbraw/zinc/88/50/72/536885072.db2.gz IFZGBDVXCKUQNV-UHFFFAOYSA-N 1 0 252.270 0.210 10 0 CCAERO CC[C@@H](C(=O)N1CCO[C@H](c2nncn2C)C1)[NH+](C)C ZINC000681879669 545465383 /nfs/dbraw/zinc/46/53/83/545465383.db2.gz PNSOQSRQKBLTRV-QWRGUYRKSA-N 1 0 281.360 0.055 10 0 CCAERO CCc1nn(C)cc1C[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000393037660 581151977 /nfs/dbraw/zinc/15/19/77/581151977.db2.gz YNIKBPPKAPLTCX-JOYOIKCWSA-N 1 0 250.346 0.739 10 0 CCAERO Cn1ncc2c1CCC[C@@H]2[NH2+]C1CCN(CCO)CC1 ZINC000399143289 581208038 /nfs/dbraw/zinc/20/80/38/581208038.db2.gz VRTRRIMROBJESX-AWEZNQCLSA-N 1 0 278.400 0.844 10 0 CCAERO [NH3+][C@H](CS(=O)(=O)N1CCCCCC1)[C@@H]1CCCOC1 ZINC000757151638 581681797 /nfs/dbraw/zinc/68/17/97/581681797.db2.gz NDCXJKCYDSBXBE-CHWSQXEVSA-N 1 0 290.429 0.946 10 0 CCAERO C[N@@H+]1CCC[C@@]2(CCO[C@H]2CS(N)(=O)=O)CC1 ZINC000757214527 581688877 /nfs/dbraw/zinc/68/88/77/581688877.db2.gz YKISWEZQHJVPEF-QWRGUYRKSA-N 1 0 262.375 0.166 10 0 CCAERO CCN(C)S(=O)(=O)C[C@H]([NH3+])C1CCOCC1 ZINC000757151014 581696868 /nfs/dbraw/zinc/69/68/68/581696868.db2.gz MMNIFGSCYPDEAT-JTQLQIEISA-N 1 0 250.364 0.022 10 0 CCAERO CC[C@H](NC(=O)OC(C)(C)C)[C@](C)([NH3+])CC(N)=O ZINC000757153211 581697267 /nfs/dbraw/zinc/69/72/67/581697267.db2.gz XENWFSHMQAJCCN-QPUJVOFHSA-N 1 0 259.350 0.883 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@]12CCCN2CCS(C)(=O)=O ZINC000757134683 581940970 /nfs/dbraw/zinc/94/09/70/581940970.db2.gz WZLSIRSRTCPORM-RYUDHWBXSA-N 1 0 260.403 0.638 10 0 CCAERO CCC1CCC(NS(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000042582690 614713816 /nfs/dbraw/zinc/71/38/16/614713816.db2.gz LJESRIFOTGBIPN-UHFFFAOYSA-N 1 0 275.418 0.695 10 0 CCAERO CCC[NH2+]CCNC(=O)[C@@H](CC(C)C)NC(=O)OC ZINC000154331795 614883328 /nfs/dbraw/zinc/88/33/28/614883328.db2.gz QEDYHWHOJWUKBU-LLVKDONJSA-N 1 0 273.377 0.873 10 0 CCAERO CC[NH+](CC)[C@H](C)CNC(=O)N(C)CCS(C)(=O)=O ZINC000102805374 615011171 /nfs/dbraw/zinc/01/11/71/615011171.db2.gz ANJXXFNNOWGDQX-LLVKDONJSA-N 1 0 293.433 0.403 10 0 CCAERO CCc1cc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)no1 ZINC000890469623 615616929 /nfs/dbraw/zinc/61/69/29/615616929.db2.gz YVHKHGYHJHKTTK-CHWSQXEVSA-N 1 0 279.340 0.782 10 0 CCAERO C[NH+](C)C[C@@H]1CN(CN2CCSC2=S)CCO1 ZINC000152997620 615930209 /nfs/dbraw/zinc/93/02/09/615930209.db2.gz FXSKDGHAKREANT-SNVBAGLBSA-N 1 0 275.443 0.540 10 0 CCAERO COC(=O)[C@@H]1CCCCN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC000137314448 616282299 /nfs/dbraw/zinc/28/22/99/616282299.db2.gz MVGMHJBZTZQMQU-MNOVXSKESA-N 1 0 254.330 0.668 10 0 CCAERO COC[C@H](C)OC[C@H](O)C[N@@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000300284370 616626419 /nfs/dbraw/zinc/62/64/19/616626419.db2.gz OBWOXKDOAAVXPC-WUHRBBMRSA-N 1 0 289.372 0.140 10 0 CCAERO CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2N(C)Cc2cnn(C)n2)C1 ZINC000886077859 616657128 /nfs/dbraw/zinc/65/71/28/616657128.db2.gz KDPMNGFONIUCOV-KFWWJZLASA-N 1 0 293.415 0.889 10 0 CCAERO CO[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1c1cn(C)nn1 ZINC000886071910 616773527 /nfs/dbraw/zinc/77/35/27/616773527.db2.gz HLNDPYUJKPBYDA-WCQYABFASA-N 1 0 276.344 0.126 10 0 CCAERO CNc1nc(C(=O)N2CC[C@H]([NH+](C)C)C2)cs1 ZINC000120275765 617069330 /nfs/dbraw/zinc/06/93/30/617069330.db2.gz IKSFEAXHADVEAR-QMMMGPOBSA-N 1 0 254.359 0.961 10 0 CCAERO CC(C)S(=O)(=O)CC[NH2+]C[C@H](O)C(C)(C)C ZINC000309323284 625360221 /nfs/dbraw/zinc/36/02/21/625360221.db2.gz PZJYKANQLYEKGI-JTQLQIEISA-N 1 0 251.392 0.806 10 0 CCAERO CCC[C@H]([NH3+])C(=O)NC[C@@H](O)c1ccc(OC)cc1 ZINC000236869669 625520193 /nfs/dbraw/zinc/52/01/93/625520193.db2.gz ALLBJJVSBNNRTL-QWHCGFSZSA-N 1 0 266.341 0.972 10 0 CCAERO CCCCC[C@@H](NC(=O)[C@H]1CC[NH2+]C1)C(=O)OC ZINC000161527574 622860384 /nfs/dbraw/zinc/86/03/84/622860384.db2.gz ZAGBXPVLHVBGHR-WDEREUQCSA-N 1 0 256.346 0.834 10 0 CCAERO CC[C@@H]1CC(=O)N(CN2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000176942755 623196593 /nfs/dbraw/zinc/19/65/93/623196593.db2.gz GMYLBUGOKQEZGV-CHWSQXEVSA-N 1 0 251.374 0.982 10 0 CCAERO CCN1CCO[C@@H](C[NH2+]Cc2cc(C)nn2C)C1 ZINC000165983244 623697430 /nfs/dbraw/zinc/69/74/30/623697430.db2.gz CYMIDTRGGLMDQZ-ZDUSSCGKSA-N 1 0 252.362 0.539 10 0 CCAERO CC(=O)N1CSC[C@H]1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000334479541 625766121 /nfs/dbraw/zinc/76/61/21/625766121.db2.gz SGTZSLQMTGACAR-RYUDHWBXSA-N 1 0 283.397 0.214 10 0 CCAERO C(Cc1nc([C@@H]2CN3CCN2CC3)no1)[NH2+]C1CC1 ZINC000094506404 631278522 /nfs/dbraw/zinc/27/85/22/631278522.db2.gz UITNQYJBOGJQKN-NSHDSACASA-N 1 0 263.345 0.036 10 0 CCAERO CC[C@H]1CN(CN2C[C@@H](OC)CC2=O)CC[N@@H+]1CCOC ZINC000249255202 631541095 /nfs/dbraw/zinc/54/10/95/631541095.db2.gz HGTHNRGJECNOFE-KBPBESRZSA-N 1 0 299.415 0.234 10 0 CCAERO O=C(N1CC[C@@H](n2ccnn2)C1)C12CCC[NH+](CCC1)C2 ZINC000911825157 636410360 /nfs/dbraw/zinc/41/03/60/636410360.db2.gz YVCVLDVHYWNKIG-CYBMUJFWSA-N 1 0 289.383 0.928 10 0 CCAERO O=C(N1CCC[C@H](n2cncn2)C1)[C@]1(F)CC[NH2+]C1 ZINC000156395715 636859051 /nfs/dbraw/zinc/85/90/51/636859051.db2.gz NTQLZPHZNPVOBL-JQWIXIFHSA-N 1 0 267.308 0.143 10 0 CCAERO CCn1nc(C)c2c1cnn2CCC(=O)NCC[NH+](C)C ZINC000223872562 636910908 /nfs/dbraw/zinc/91/09/08/636910908.db2.gz LFBPGCALXGZJBC-UHFFFAOYSA-N 1 0 292.387 0.629 10 0 CCAERO CO[C@H](c1noc(C[C@@H]2C[NH2+]CCO2)n1)C1CC1 ZINC000227328879 637020189 /nfs/dbraw/zinc/02/01/89/637020189.db2.gz HCKRYYDNHIZHGW-KOLCDFICSA-N 1 0 253.302 0.698 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NC[C@@H](O)C(F)(F)F ZINC000227424301 637024703 /nfs/dbraw/zinc/02/47/03/637024703.db2.gz SDTJOJWAEABASZ-XLPZGREQSA-N 1 0 254.252 0.401 10 0 CCAERO COC(=O)[C@@H]1C[N@H+](CCCS(C)(=O)=O)C[C@@H]1C ZINC000227749705 637034456 /nfs/dbraw/zinc/03/44/56/637034456.db2.gz DTTYPIGXMFGKHR-VHSXEESVSA-N 1 0 263.359 0.162 10 0 CCAERO CCCCOC[C@H](O)C[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000227894131 637040229 /nfs/dbraw/zinc/04/02/29/637040229.db2.gz KWAZSAQKACYAEY-KFWWJZLASA-N 1 0 286.416 0.617 10 0 CCAERO CCCOC(=O)[C@H](C)N1CC[NH+](C[C@H](O)CC)CC1 ZINC000174075060 637241591 /nfs/dbraw/zinc/24/15/91/637241591.db2.gz JBUJRDIFXFIVEM-QWHCGFSZSA-N 1 0 272.389 0.717 10 0 CCAERO CNC(=O)[C@H]([NH2+]CCCNC(=O)C(F)(F)F)C(C)C ZINC000183682948 638598313 /nfs/dbraw/zinc/59/83/13/638598313.db2.gz JQAPBNMHNQOKKH-MRVPVSSYSA-N 1 0 283.294 0.415 10 0 CCAERO O=C([C@H]1CCNC(=O)C1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186536301 639715008 /nfs/dbraw/zinc/71/50/08/639715008.db2.gz FYYUKUJTJWOOJQ-WDEREUQCSA-N 1 0 265.357 0.256 10 0 CCAERO Cn1cc(O[C@@H]2COC[C@@H]2[NH2+]Cc2ccncc2)cn1 ZINC000862494409 645003061 /nfs/dbraw/zinc/00/30/61/645003061.db2.gz NSNMIULWAIDIGD-UONOGXRCSA-N 1 0 274.324 0.751 10 0 CCAERO O=S(=O)(/C=C\c1ccccc1)N[C@@H]1CC[NH2+]C1 ZINC000210564603 647148497 /nfs/dbraw/zinc/14/84/97/647148497.db2.gz GLVOSSPVAJWIMB-ZVTBTPLYSA-N 1 0 252.339 0.939 10 0 CCAERO O[C@H]1C[NH2+][C@@H](c2nc([C@@H]3COc4ccccc4O3)no2)C1 ZINC000132281240 647542626 /nfs/dbraw/zinc/54/26/26/647542626.db2.gz KZMLOXZYTNZRFE-LNLATYFQSA-N 1 0 289.291 0.977 10 0 CCAERO [NH3+]C[C@H]1CC(C(=O)NC[C@@H](O)c2ccc(F)cc2)=NO1 ZINC000827315428 648305816 /nfs/dbraw/zinc/30/58/16/648305816.db2.gz QMGXIUAAOBDGDZ-ZYHUDNBSSA-N 1 0 281.287 0.079 10 0 CCAERO [NH3+]C1CCC(C(=O)NCCc2nnc3ccccn32)CC1 ZINC000040808660 649282724 /nfs/dbraw/zinc/28/27/24/649282724.db2.gz CANHHAHKYGQJAZ-UHFFFAOYSA-N 1 0 287.367 0.906 10 0 CCAERO COC(=O)NC(C)(C)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000157601254 649302361 /nfs/dbraw/zinc/30/23/61/649302361.db2.gz SOTGEMCLMDEDSS-DTWKUNHWSA-N 1 0 257.334 0.365 10 0 CCAERO COC(=O)N[C@H](C(=O)N[C@@H]1CCC[NH2+][C@H]1C)C(C)C ZINC000193644357 649551815 /nfs/dbraw/zinc/55/18/15/649551815.db2.gz WXOMLJKCWQLARK-AXFHLTTASA-N 1 0 271.361 0.624 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CSCN2C(C)=O)C1 ZINC000245387611 649641331 /nfs/dbraw/zinc/64/13/31/649641331.db2.gz ZCVMWVBUALQYHX-NWDGAFQWSA-N 1 0 285.413 0.508 10 0 CCAERO CC[C@H]1CN(CC(=O)OCC(C)C)CC[N@@H+]1C[C@H](C)O ZINC000245593684 649645925 /nfs/dbraw/zinc/64/59/25/649645925.db2.gz BBLZFHRABHSBPC-KBPBESRZSA-N 1 0 286.416 0.963 10 0 CCAERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]CC(N)=O ZINC000089146850 649648200 /nfs/dbraw/zinc/64/82/00/649648200.db2.gz DVRURQBXNVWYGK-UWVGGRQHSA-N 1 0 271.361 0.755 10 0 CCAERO [NH3+]C[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000089389314 649655450 /nfs/dbraw/zinc/65/54/50/649655450.db2.gz HHZHBBAGMNRHHV-SDDRHHMPSA-N 1 0 267.373 0.536 10 0 CCAERO COCC(=O)N1CCN(C(=O)[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000089391950 649656074 /nfs/dbraw/zinc/65/60/74/649656074.db2.gz CVTAIWYIEBWWCB-OLZOCXBDSA-N 1 0 297.399 0.069 10 0 CCAERO Cc1nn(C)c(C)c1NC(=O)CN1CC[N@@H+](C)C[C@@H]1C ZINC000089505856 649659791 /nfs/dbraw/zinc/65/97/91/649659791.db2.gz PYXKZHLNKRFEGL-JTQLQIEISA-N 1 0 279.388 0.611 10 0 CCAERO [NH3+][C@H]1CC[C@@H](C(=O)NCCc2nnc3ccccn32)C1 ZINC000091548475 649706392 /nfs/dbraw/zinc/70/63/92/649706392.db2.gz OUKNEHDUBGSZMS-MNOVXSKESA-N 1 0 273.340 0.515 10 0 CCAERO C(Cc1nc([C@H]2CN3CCC[C@@H]3CO2)no1)[NH2+]C1CC1 ZINC000091685588 649709405 /nfs/dbraw/zinc/70/94/05/649709405.db2.gz ZQZSPVVTYMUOMG-VXGBXAGGSA-N 1 0 278.356 0.900 10 0 CCAERO C[C@]1(c2nc([C@H]3CN4CCC[C@@H]4CO3)no2)CC[NH2+]C1 ZINC000091685937 649709801 /nfs/dbraw/zinc/70/98/01/649709801.db2.gz VCYZMLPSDVYJDK-GYSYKLTISA-N 1 0 278.356 0.856 10 0 CCAERO COC(=O)[C@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1C ZINC000251821451 649820893 /nfs/dbraw/zinc/82/08/93/649820893.db2.gz ZUVQDIHDPCJGDT-OLZOCXBDSA-N 1 0 282.384 0.986 10 0 CCAERO CC[C@H](C)NC(=O)C[N@@H+]1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC000251941182 649822905 /nfs/dbraw/zinc/82/29/05/649822905.db2.gz SMTUMYHLOFZADG-DCAQKATOSA-N 1 0 256.346 0.642 10 0 CCAERO C[C@@H]1CC[N@H+](C[C@@H](O)CN(C)C2CC2)C[C@@H]1C(=O)[O-] ZINC000710524042 969048746 /nfs/dbraw/zinc/04/87/46/969048746.db2.gz WBSCSVXWOMVTJL-WXHSDQCUSA-N 1 0 270.373 0.484 10 0 CCAERO CCC[C@H](C(=O)N[C@@H]1CCCn2ncnc21)[NH+](C)C ZINC000091699517 349473404 /nfs/dbraw/zinc/47/34/04/349473404.db2.gz ZGCKTJAOCFLJHS-GHMZBOCLSA-N 1 0 265.361 0.960 10 0 CCAERO CCOC(=O)COCCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094805553 349575754 /nfs/dbraw/zinc/57/57/54/349575754.db2.gz UWVJWHJRNJMZAT-GFCCVEGCSA-N 1 0 256.346 0.346 10 0 CCAERO C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2ccsc2)C1 ZINC000125258732 187176503 /nfs/dbraw/zinc/17/65/03/187176503.db2.gz KEMKDDVSIRAQBY-JTQLQIEISA-N 1 0 267.354 0.849 10 0 CCAERO NC(=O)c1ccc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)nc1 ZINC000095012348 349582291 /nfs/dbraw/zinc/58/22/91/349582291.db2.gz IFPJDIZPCYUGAG-NEPJUHHUSA-N 1 0 276.340 0.456 10 0 CCAERO 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CC(C)(C)OC(=O)N1CCN2C(=O)C[C@H]([NH3+])[C@H]2C1 ZINC000096957992 185141966 /nfs/dbraw/zinc/14/19/66/185141966.db2.gz KCXLBDOHMIQTNT-DTWKUNHWSA-N 1 0 255.318 0.165 10 0 CCAERO COCC[N@H+](C)CCCNC(=O)N(C)C[C@@H]1CCCO1 ZINC000102903789 349686410 /nfs/dbraw/zinc/68/64/10/349686410.db2.gz LIBWGBAXHIRZFS-ZDUSSCGKSA-N 1 0 287.404 0.775 10 0 CCAERO C[NH+](C)C[C@H]1CN(C(=O)C(=O)Nc2ccsc2)CCO1 ZINC000125846239 187202325 /nfs/dbraw/zinc/20/23/25/187202325.db2.gz GZMJUEGOKWUAOT-NSHDSACASA-N 1 0 297.380 0.476 10 0 CCAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2Cc3ccccc3C(=O)O2)C1 ZINC000170857247 282200118 /nfs/dbraw/zinc/20/01/18/282200118.db2.gz DURORYGFOUHRJQ-TZMCWYRMSA-N 1 0 288.347 0.931 10 0 CCAERO CN(C)C(=O)C[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000105802737 349724831 /nfs/dbraw/zinc/72/48/31/349724831.db2.gz BAUDXLAIYVDQJS-LBPRGKRZSA-N 1 0 277.372 0.465 10 0 CCAERO O=C([C@H]1CNC(=O)C1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000107633914 349740067 /nfs/dbraw/zinc/74/00/67/349740067.db2.gz 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0.592 10 0 CCAERO Cn1ccc(NC(=O)N2CCO[C@H](C[NH+](C)C)C2)n1 ZINC000118815172 349908004 /nfs/dbraw/zinc/90/80/04/349908004.db2.gz QCDFQRMPOQZNLS-SNVBAGLBSA-N 1 0 267.333 0.214 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1CNC(=O)C1 ZINC000118899032 349910773 /nfs/dbraw/zinc/91/07/73/349910773.db2.gz JJQKEOMDBQROLC-MNOVXSKESA-N 1 0 253.346 0.065 10 0 CCAERO Cc1nnc2ccc(N3CC[C@H]4OCC[N@@H+](C)[C@@H]4C3)nn12 ZINC000284418397 282349932 /nfs/dbraw/zinc/34/99/32/282349932.db2.gz CDFJSJIDFSVXHX-VXGBXAGGSA-N 1 0 288.355 0.342 10 0 CCAERO O=C(Nc1ccc(N2CCOCC2)nc1)[C@@H]1CCC[NH2+]1 ZINC000035222624 136466357 /nfs/dbraw/zinc/46/63/57/136466357.db2.gz UXTWDHASIKXAJG-LBPRGKRZSA-N 1 0 276.340 0.609 10 0 CCAERO CN(CC(C)(C)O)C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000155695919 282370423 /nfs/dbraw/zinc/37/04/23/282370423.db2.gz AYPGWSOFKFGDCF-CYBMUJFWSA-N 1 0 284.400 0.859 10 0 CCAERO Cc1noc(CCCN2CCO[C@H]3CC[N@@H+](C)C[C@H]32)n1 ZINC000408037857 282396882 /nfs/dbraw/zinc/39/68/82/282396882.db2.gz 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Cc1nc(CC(C)C)c(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)s1 ZINC000262353699 137039930 /nfs/dbraw/zinc/03/99/30/137039930.db2.gz UQHMAUZQTWSOMN-JQWIXIFHSA-N 1 0 297.424 0.960 10 0 CCAERO COc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c(C)c1 ZINC000262356652 137039989 /nfs/dbraw/zinc/03/99/89/137039989.db2.gz UVYDTVRGKCXTQK-GWCFXTLKSA-N 1 0 264.325 0.314 10 0 CCAERO CCOc1cc(C)ccc1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262365993 137040430 /nfs/dbraw/zinc/04/04/30/137040430.db2.gz JGNVSOCMTFHASZ-CHWSQXEVSA-N 1 0 278.352 0.733 10 0 CCAERO CCOc1cc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)ccc1C ZINC000262374093 137040574 /nfs/dbraw/zinc/04/05/74/137040574.db2.gz WLSGQADFKUMYEC-OLZOCXBDSA-N 1 0 278.352 0.704 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cc(-c2cccs2)n[nH]1 ZINC000262383697 137041079 /nfs/dbraw/zinc/04/10/79/137041079.db2.gz XFVGDUKUHWOYSV-KWQFWETISA-N 1 0 292.364 0.448 10 0 CCAERO CCOc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262388004 137041430 /nfs/dbraw/zinc/04/14/30/137041430.db2.gz XPFSEZNPBBXSFA-WCQYABFASA-N 1 0 264.325 0.395 10 0 CCAERO CO[C@H](C(=O)NC[C@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000262387958 137041566 /nfs/dbraw/zinc/04/15/66/137041566.db2.gz XOOHBCXIFBLJQK-AGIUHOORSA-N 1 0 264.325 0.071 10 0 CCAERO Cn1nc(CC(C)(C)C)cc1NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262463152 137044140 /nfs/dbraw/zinc/04/41/40/137044140.db2.gz FZUNPBIKICIDLY-GHMZBOCLSA-N 1 0 280.372 0.670 10 0 CCAERO CCOc1ccc(CNC[C@H]2C[NH2+]C[C@@H]2O)cc1F ZINC000263129568 137058883 /nfs/dbraw/zinc/05/88/83/137058883.db2.gz BOVNXQKVMLMHDC-AAEUAGOBSA-N 1 0 268.332 0.894 10 0 CCAERO C[C@H](C1CC1)n1[nH]cc/c1=N\C(=O)CN1CC[NH2+]C[C@@H]1C ZINC000261731106 137017371 /nfs/dbraw/zinc/01/73/71/137017371.db2.gz HECVPUXSFAMBJG-XVHVMQSESA-N 1 0 291.399 0.508 10 0 CCAERO Cc1nn(C)c(C)c1-c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263145311 137059039 /nfs/dbraw/zinc/05/90/39/137059039.db2.gz CPHWBEFSCIMGBV-JTQLQIEISA-N 1 0 276.344 0.663 10 0 CCAERO C[NH2+][C@@H](C)CNC(=O)c1cccc(C(=O)N2CCCC2)n1 ZINC000261780197 137019436 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ZINC000262011462 137028599 /nfs/dbraw/zinc/02/85/99/137028599.db2.gz JLXCDEOGLWBQOB-UHFFFAOYSA-N 1 0 278.352 0.972 10 0 CCAERO COc1ccccc1OCCC(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262243711 137032632 /nfs/dbraw/zinc/03/26/32/137032632.db2.gz LCFWBTIZNLDYHC-NEPJUHHUSA-N 1 0 294.351 0.161 10 0 CCAERO COC[C@@H]([NH3+])C(=O)NC[C@@H](O)c1ccc(OC(C)C)cc1 ZINC000262254366 137033066 /nfs/dbraw/zinc/03/30/66/137033066.db2.gz IWNVDVVNVNRQEJ-ZIAGYGMSSA-N 1 0 296.367 0.597 10 0 CCAERO C[C@H](CC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000262253634 137033100 /nfs/dbraw/zinc/03/31/00/137033100.db2.gz LRHCSDZYGHYGNK-XBFCOCLRSA-N 1 0 262.353 0.877 10 0 CCAERO Cc1ccc(C)c(OCC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000262251993 137033421 /nfs/dbraw/zinc/03/34/21/137033421.db2.gz LPISFINLPFVQHY-QWHCGFSZSA-N 1 0 278.352 0.379 10 0 CCAERO O=C(NC[C@H]1CCN(c2ccccc2)C1)C1C[NH2+]C1 ZINC000262261451 137033597 /nfs/dbraw/zinc/03/35/97/137033597.db2.gz RCWIDQCBXLILQN-GFCCVEGCSA-N 1 0 259.353 0.849 10 0 CCAERO Cc1ccc(C(N)=O)cc1NC(=O)[C@H](C)C1C[NH2+]C1 ZINC000262265278 137033822 /nfs/dbraw/zinc/03/38/22/137033822.db2.gz UXNJVFZRFJAGFX-SECBINFHSA-N 1 0 261.325 0.888 10 0 CCAERO O=C(NCc1nc(C(F)(F)F)cs1)C1C[NH2+]C1 ZINC000262263812 137033856 /nfs/dbraw/zinc/03/38/56/137033856.db2.gz RPGHIDVQWSNCRQ-UHFFFAOYSA-N 1 0 265.260 0.998 10 0 CCAERO COc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1OC ZINC000262276395 137034698 /nfs/dbraw/zinc/03/46/98/137034698.db2.gz NLVSODPKMQXXHW-GHMZBOCLSA-N 1 0 280.324 0.014 10 0 CCAERO O=C(CSc1ccccc1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262286663 137035036 /nfs/dbraw/zinc/03/50/36/137035036.db2.gz OIRVNLRJXOAEKN-PWSUYJOCSA-N 1 0 266.366 0.475 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cc(-c2ccccc2)no1 ZINC000262283932 137035053 /nfs/dbraw/zinc/03/50/53/137035053.db2.gz OCGGBYJNCNGMOX-WCQYABFASA-N 1 0 287.319 0.652 10 0 CCAERO O=C(CCOc1ccc(Cl)cc1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262285493 137035262 /nfs/dbraw/zinc/03/52/62/137035262.db2.gz OGALXOLCQAZVEE-GWCFXTLKSA-N 1 0 298.770 0.805 10 0 CCAERO Cc1nc2ccccc2n1CC(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262293262 137035925 /nfs/dbraw/zinc/03/59/25/137035925.db2.gz OWRBNWSDQFBWHJ-SMDDNHRTSA-N 1 0 288.351 0.041 10 0 CCAERO Cc1cc(C)c(OCC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c(C)c1 ZINC000262314996 137037108 /nfs/dbraw/zinc/03/71/08/137037108.db2.gz QUPDNMXVIUITMP-KBPBESRZSA-N 1 0 292.379 0.687 10 0 CCAERO COC[C@@H]([NH3+])C(=O)Nc1cc(C)nn1Cc1ccccn1 ZINC000262317736 137037460 /nfs/dbraw/zinc/03/74/60/137037460.db2.gz DTOLADXHHITJCK-GFCCVEGCSA-N 1 0 289.339 0.547 10 0 CCAERO CCN(CCC(=O)OC)C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262328838 137038611 /nfs/dbraw/zinc/03/86/11/137038611.db2.gz DRSTZSWPXIECGD-QWRGUYRKSA-N 1 0 256.346 0.786 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cccc2c1CCC2 ZINC000262335968 137038682 /nfs/dbraw/zinc/03/86/82/137038682.db2.gz SRWFHBLNMDAMDG-SMDDNHRTSA-N 1 0 260.337 0.485 10 0 CCAERO COc1ccc(CNC(=O)C2C[NH2+]C2)c(OC)c1OC ZINC000263296004 137063002 /nfs/dbraw/zinc/06/30/02/137063002.db2.gz MJMDOHHRAHZPHF-UHFFFAOYSA-N 1 0 280.324 0.548 10 0 CCAERO O=C(NCc1cccnc1-n1ccnc1)C1C[NH2+]C1 ZINC000263306931 137063349 /nfs/dbraw/zinc/06/33/49/137063349.db2.gz OMVHDLWJKUSUMM-UHFFFAOYSA-N 1 0 257.297 0.103 10 0 CCAERO CN1CC[NH2+]C[C@H]1c1noc(C[C@H]2CCCO2)n1 ZINC000263309573 137063684 /nfs/dbraw/zinc/06/36/84/137063684.db2.gz YJBDFYUYUHPLSC-ZJUUUORDSA-N 1 0 252.318 0.367 10 0 CCAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2cncc(F)c2)n1 ZINC000263312055 137063779 /nfs/dbraw/zinc/06/37/79/137063779.db2.gz YWAVSQPXRYTBRN-SNVBAGLBSA-N 1 0 263.276 0.847 10 0 CCAERO C[C@H](NC(=O)C1C[NH2+]C1)c1cn(-c2ccccc2)nn1 ZINC000263330375 137064288 /nfs/dbraw/zinc/06/42/88/137064288.db2.gz UUWDHYQUNHOCIX-JTQLQIEISA-N 1 0 271.324 0.664 10 0 CCAERO C[C@@H](CNC(=O)C1C[NH2+]C1)Oc1ccccc1F ZINC000263343651 137064436 /nfs/dbraw/zinc/06/44/36/137064436.db2.gz YJBJFEHVCMLQIY-VIFPVBQESA-N 1 0 252.289 0.929 10 0 CCAERO C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000315090405 137079231 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COC(=O)[C@H]1C[C@@H]([NH3+])CN1C(=O)OCc1ccccc1 ZINC000002382489 347966650 /nfs/dbraw/zinc/96/66/50/347966650.db2.gz DMYAHNRIJNKMAH-VXGBXAGGSA-N 1 0 278.308 0.898 10 0 CCAERO O=C1NCCCN1C1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000120292015 349979498 /nfs/dbraw/zinc/97/94/98/349979498.db2.gz FSTXQBFUYCMQOG-CYBMUJFWSA-N 1 0 294.399 0.535 10 0 CCAERO CC(C)NC(=O)NCC[NH2+]C[C@H](O)COc1ccccc1 ZINC000028263373 348105953 /nfs/dbraw/zinc/10/59/53/348105953.db2.gz BBHXHFDYJHPVTB-ZDUSSCGKSA-N 1 0 295.383 0.724 10 0 CCAERO O=S1(=O)CCc2nc(CN3CC[NH2+]CC3)sc2C1 ZINC000104067713 185891374 /nfs/dbraw/zinc/89/13/74/185891374.db2.gz KYROMKJENQVDNB-UHFFFAOYSA-N 1 0 287.410 0.019 10 0 CCAERO Nc1cc(Br)cnc1N1CC[NH2+]CC1 ZINC000036226495 348160750 /nfs/dbraw/zinc/16/07/50/348160750.db2.gz MAFRXAXXRSMUTK-UHFFFAOYSA-N 1 0 257.135 0.836 10 0 CCAERO CCCNC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000037008838 348178821 /nfs/dbraw/zinc/17/88/21/348178821.db2.gz VCGUFIWTTRRFGH-OLZOCXBDSA-N 1 0 291.351 0.488 10 0 CCAERO [NH3+]CC(=O)NCC(=O)Nc1cccc(-c2cnco2)c1 ZINC000037768162 348202245 /nfs/dbraw/zinc/20/22/45/348202245.db2.gz IXMFKOAXNFSCQO-UHFFFAOYSA-N 1 0 274.280 0.355 10 0 CCAERO C[S@@](=O)c1cc(C(N)=O)ccc1C1CC[NH2+]CC1 ZINC000038285444 348226852 /nfs/dbraw/zinc/22/68/52/348226852.db2.gz VQIGSGGKMFNNTK-SFHVURJKSA-N 1 0 266.366 0.990 10 0 CCAERO CC(C)[NH2+]C[C@H](O)COc1ccc(CCNC(N)=O)cc1 ZINC000039216111 348229099 /nfs/dbraw/zinc/22/90/99/348229099.db2.gz UGMLGRRFYXBTMA-ZDUSSCGKSA-N 1 0 295.383 0.635 10 0 CCAERO O=C1C(C[NH2+]CCCO)=CC2=CC=C[C@@H]3CCN1[C@@H]23 ZINC000039287418 348229262 /nfs/dbraw/zinc/22/92/62/348229262.db2.gz YHBXMFFBSOANGX-BXUZGUMPSA-N 1 0 260.337 0.612 10 0 CCAERO Cc1csc(NC(=O)Cn2cc(C[NH3+])nn2)n1 ZINC000050224977 348470736 /nfs/dbraw/zinc/47/07/36/348470736.db2.gz DWLIOXVEHVEJNU-UHFFFAOYSA-N 1 0 252.303 0.140 10 0 CCAERO C[NH+](C)C[C@H]1CN(CC[C@@H]2CCOC2=O)CCO1 ZINC000120498589 349989293 /nfs/dbraw/zinc/98/92/93/349989293.db2.gz HSZPCKYCVIWYTQ-NEPJUHHUSA-N 1 0 256.346 0.202 10 0 CCAERO CCCCN(C(=O)[C@@H](C)[NH2+]C)[C@@H]1CCS(=O)(=O)C1 ZINC000052395909 348509327 /nfs/dbraw/zinc/50/93/27/348509327.db2.gz PZQDCNZYVRLLAC-GHMZBOCLSA-N 1 0 276.402 0.410 10 0 CCAERO C[NH2+][C@H](C)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000052395850 348509454 /nfs/dbraw/zinc/50/94/54/348509454.db2.gz NEUXKTJKESOYSV-CYBMUJFWSA-N 1 0 291.395 0.743 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCCNC(C)=O)C1 ZINC000052527809 348510637 /nfs/dbraw/zinc/51/06/37/348510637.db2.gz ONWQSRKKUSIXDI-LBPRGKRZSA-N 1 0 270.377 0.296 10 0 CCAERO CN(CC(=O)NC(C)(C)C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307730 348549463 /nfs/dbraw/zinc/54/94/63/348549463.db2.gz GDNLMRDKSFDVMJ-LLVKDONJSA-N 1 0 269.389 0.749 10 0 CCAERO COCCn1cc(NC(=O)C[C@H]2CCC[NH2+]C2)cn1 ZINC000054307398 348549752 /nfs/dbraw/zinc/54/97/52/348549752.db2.gz RPPOWZHKDRNNHT-LLVKDONJSA-N 1 0 266.345 0.858 10 0 CCAERO CN1CCN(Cc2ccccc2)[C@H](C2=[NH+]CCN2)C1 ZINC000055906553 348582751 /nfs/dbraw/zinc/58/27/51/348582751.db2.gz GTWKOXWYJJMQTR-AWEZNQCLSA-N 1 0 258.369 0.804 10 0 CCAERO C[NH2+]CCN(C)C(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CCCO1 ZINC000120685498 350000377 /nfs/dbraw/zinc/00/03/77/350000377.db2.gz HLODXABPANIMPH-STQMWFEESA-N 1 0 297.399 0.224 10 0 CCAERO Cc1nc(SCC(=O)N2CCC[N@@H+](C3CC3)CC2)n[nH]1 ZINC000073178180 348945712 /nfs/dbraw/zinc/94/57/12/348945712.db2.gz HINMHTBXOFMPOA-UHFFFAOYSA-N 1 0 295.412 0.902 10 0 CCAERO CN(C)S(=O)(=O)N[C@@H]1c2ccccc2C[C@@H]1[NH3+] ZINC000104315303 185966114 /nfs/dbraw/zinc/96/61/14/185966114.db2.gz CXGOATQXKXKSLS-WDEREUQCSA-N 1 0 255.343 0.007 10 0 CCAERO C[C@@H]([NH2+][C@@H]1CCC(=O)NC1)C(=O)N1CCCCCC1 ZINC000104331830 185972084 /nfs/dbraw/zinc/97/20/84/185972084.db2.gz UPDVUTXRKYAEFT-VXGBXAGGSA-N 1 0 267.373 0.646 10 0 CCAERO C[NH+](C)[C@@H]1CCN(C(=O)CNC(=O)OC(C)(C)C)C1 ZINC000082287190 349297064 /nfs/dbraw/zinc/29/70/64/349297064.db2.gz UNKRKDAXRBIWQE-SNVBAGLBSA-N 1 0 271.361 0.674 10 0 CCAERO CC(C)S(=O)(=O)CCN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261574242 535094370 /nfs/dbraw/zinc/09/43/70/535094370.db2.gz MPSPHZAQMVSOLQ-RWMBFGLXSA-N 1 0 274.430 0.869 10 0 CCAERO CC[NH+](CC)CC(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000081813893 349284359 /nfs/dbraw/zinc/28/43/59/349284359.db2.gz ZXMIDPBFOFIYDX-LLVKDONJSA-N 1 0 265.361 0.879 10 0 CCAERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)[C@@H]1CCC(=O)NC1 ZINC000083703969 349309877 /nfs/dbraw/zinc/30/98/77/349309877.db2.gz OFCXIRLQHHRFHQ-JHJVBQTASA-N 1 0 279.384 0.598 10 0 CCAERO CC1CC[NH+](CCCNC(=O)[C@@H]2COCCN2)CC1 ZINC000088371748 349364244 /nfs/dbraw/zinc/36/42/44/349364244.db2.gz GBCJFZYZAJFRRU-ZDUSSCGKSA-N 1 0 269.389 0.213 10 0 CCAERO COCC[N@@H+]1CCN(Cc2ccnn2C)C[C@@H]1C ZINC000120834383 350007994 /nfs/dbraw/zinc/00/79/94/350007994.db2.gz NWFZXTBEAPEOHF-LBPRGKRZSA-N 1 0 252.362 0.573 10 0 CCAERO C1=C(C[N@@H+]2CC[C@H](N3CCOCC3)C2)COCC1 ZINC000121067293 350020826 /nfs/dbraw/zinc/02/08/26/350020826.db2.gz SFRWHKIICTXCSE-AWEZNQCLSA-N 1 0 252.358 0.740 10 0 CCAERO CCC[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1cn[nH]c1 ZINC000104415016 185994329 /nfs/dbraw/zinc/99/43/29/185994329.db2.gz USNPTPLRJXZHJN-NSHDSACASA-N 1 0 286.401 0.953 10 0 CCAERO O[C@H](CN1CCOCC1)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000121800394 350056489 /nfs/dbraw/zinc/05/64/89/350056489.db2.gz KIDPIJWZUNLMNY-CABCVRRESA-N 1 0 294.399 0.630 10 0 CCAERO COCC[C@H]([NH3+])C(=O)NCCOC1CCCCC1 ZINC000104436848 186001790 /nfs/dbraw/zinc/00/17/90/186001790.db2.gz VKJDJSGIWNBQDB-LBPRGKRZSA-N 1 0 258.362 0.816 10 0 CCAERO C[NH+](C)C[C@H]1CN(C(=O)Cc2ccoc2)CCO1 ZINC000124992486 350112492 /nfs/dbraw/zinc/11/24/92/350112492.db2.gz DJRGGLRKFGJEFX-LBPRGKRZSA-N 1 0 252.314 0.611 10 0 CCAERO C[C@H]1CN[C@@H](C(=O)NCCOC2CCCCC2)C[NH2+]1 ZINC000104441528 186003630 /nfs/dbraw/zinc/00/36/30/186003630.db2.gz BAOFPBXFABZFJU-WCQYABFASA-N 1 0 269.389 0.402 10 0 CCAERO CC(=O)NCC(=O)N1CC[C@H]([NH3+])[C@H](c2ccccc2)C1 ZINC000090759807 180037155 /nfs/dbraw/zinc/03/71/55/180037155.db2.gz GOHXINMLZFQUFS-KBPBESRZSA-N 1 0 275.352 0.466 10 0 CCAERO CC(C)CCS(=O)(=O)N1CCN(C(C)(C)C[NH3+])CC1 ZINC000104447995 186005914 /nfs/dbraw/zinc/00/59/14/186005914.db2.gz QEZPYDFKADATGE-UHFFFAOYSA-N 1 0 291.461 0.717 10 0 CCAERO Cc1ccc(S(=O)(=O)N2C[C@@H]([NH3+])[C@H](O)C(C)(C)C2)cc1 ZINC000091301866 180129220 /nfs/dbraw/zinc/12/92/20/180129220.db2.gz OXXVELQRWFHQRQ-OLZOCXBDSA-N 1 0 298.408 0.714 10 0 CCAERO CCCCN(C(=O)C1C[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000091411820 180148640 /nfs/dbraw/zinc/14/86/40/180148640.db2.gz NXADJFVBNZTAEB-NSHDSACASA-N 1 0 274.386 0.022 10 0 CCAERO CC(C)(C(=O)NCCOC1CCCC1)N1CC[NH2+]CC1 ZINC000129755617 350222204 /nfs/dbraw/zinc/22/22/04/350222204.db2.gz DMXAQNSUYZPLEG-UHFFFAOYSA-N 1 0 283.416 0.746 10 0 CCAERO CC(=O)c1csc(NC(=O)C(C)(C)N2CC[NH2+]CC2)n1 ZINC000129765003 350222218 /nfs/dbraw/zinc/22/22/18/350222218.db2.gz VOVVDUIJVHSECP-UHFFFAOYSA-N 1 0 296.396 0.968 10 0 CCAERO CCC[C@@H](C(=O)N[C@H](CCO)CSC)[NH+](C)C ZINC000129164999 350206535 /nfs/dbraw/zinc/20/65/35/350206535.db2.gz ODYHSITTXWHZNU-MNOVXSKESA-N 1 0 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C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1ccc(=O)n(C)n1 ZINC000186315650 388833001 /nfs/dbraw/zinc/83/30/01/388833001.db2.gz XSBRGZYMVUDKMD-LBPRGKRZSA-N 1 0 292.383 0.775 10 0 CCAERO CN1CCO[C@H](C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)C1 ZINC000186527194 388840510 /nfs/dbraw/zinc/84/05/10/388840510.db2.gz AROOAZNMAAIWBF-AAEUAGOBSA-N 1 0 267.373 0.060 10 0 CCAERO CCC(=O)N1CCCN(C(=O)[C@H]([NH3+])[C@@H](C)CC)CC1 ZINC000038101586 388850045 /nfs/dbraw/zinc/85/00/45/388850045.db2.gz TYHWBJGLTGEOBL-WCQYABFASA-N 1 0 269.389 0.831 10 0 CCAERO O=C(CC[N@@H+]1CCO[C@@H]2CCCC[C@H]21)N1CCOCC1 ZINC000051997085 388927840 /nfs/dbraw/zinc/92/78/40/388927840.db2.gz RXEWXZZZEUTJBC-ZIAGYGMSSA-N 1 0 282.384 0.879 10 0 CCAERO [NH3+]C[C@@H]1CCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000053663307 388929200 /nfs/dbraw/zinc/92/92/00/388929200.db2.gz CTAJGFNYOCZEPP-VIFPVBQESA-N 1 0 265.338 0.559 10 0 CCAERO CCC[C@@H]1CN(C(=O)C(C)(C)N2CC[NH2+]CC2)CCO1 ZINC000575057691 335060325 /nfs/dbraw/zinc/06/03/25/335060325.db2.gz 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CCS(=O)(=O)C1(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000659379479 413461033 /nfs/dbraw/zinc/46/10/33/413461033.db2.gz IJSOQBIKCYUHLH-NXEZZACHSA-N 1 0 274.386 0.197 10 0 CCAERO CN(C(=O)Cn1cc(C[NH3+])nn1)C1CCCCC1 ZINC000050224885 411677071 /nfs/dbraw/zinc/67/70/71/411677071.db2.gz KNHMBKOCIVCSEZ-UHFFFAOYSA-N 1 0 251.334 0.528 10 0 CCAERO O=C(Nc1ccccc1-n1cncn1)[C@@H]1CC[NH2+]C1 ZINC000062113717 411687632 /nfs/dbraw/zinc/68/76/32/411687632.db2.gz WQLNIHJPSNYSKK-SNVBAGLBSA-N 1 0 257.297 0.815 10 0 CCAERO C[C@@H]([NH3+])[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000133905757 411728922 /nfs/dbraw/zinc/72/89/22/411728922.db2.gz KKYZPYQULBRNEB-BBBLOLIVSA-N 1 0 299.396 0.495 10 0 CCAERO O=C(COCC(F)(F)F)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000404087205 411792364 /nfs/dbraw/zinc/79/23/64/411792364.db2.gz VCBKKXGSJBMIII-RKDXNWHRSA-N 1 0 282.262 0.155 10 0 CCAERO C[C@@H]1SCC[C@@H]1NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000310783510 411748395 /nfs/dbraw/zinc/74/83/95/411748395.db2.gz FYNOZRPZQPEUNT-QWRGUYRKSA-N 1 0 271.430 0.680 10 0 CCAERO CCN1CCO[C@@H](C[NH2+]C2CCN(C3CC3)CC2)C1 ZINC000311439598 411749933 /nfs/dbraw/zinc/74/99/33/411749933.db2.gz GBJHFJVEPXNGTJ-HNNXBMFYSA-N 1 0 267.417 0.924 10 0 CCAERO COC[C@]1(C(=O)N[C@@H]2CCC[C@@H](O)C2)CC[NH2+]C1 ZINC000311109432 411750125 /nfs/dbraw/zinc/75/01/25/411750125.db2.gz UVCJXQORGDWFRP-WZRBSPASSA-N 1 0 256.346 0.032 10 0 CCAERO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCC2(CC2(F)F)CC1 ZINC000405072633 411797590 /nfs/dbraw/zinc/79/75/90/411797590.db2.gz IYXUBOJWZOVKEN-RKDXNWHRSA-N 1 0 260.284 0.357 10 0 CCAERO CC(C)C[C@@H]([NH3+])C(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12 ZINC000019471061 170804782 /nfs/dbraw/zinc/80/47/82/170804782.db2.gz GVMXJXJYONWNES-SECBINFHSA-N 1 0 290.323 0.941 10 0 CCAERO COc1cc(C[C@@](C)(O)C[NH3+])cc(OC)c1OC ZINC000019684429 170839645 /nfs/dbraw/zinc/83/96/45/170839645.db2.gz MKVSVNWZYWLBQY-CYBMUJFWSA-N 1 0 255.314 0.965 10 0 CCAERO C[NH2+]C[C@H](O)CN1C(=O)NC2(C1=O)[C@H](C)CCC[C@@H]2C ZINC000019864461 170899011 /nfs/dbraw/zinc/89/90/11/170899011.db2.gz CRTGMHGRBWDDNQ-JSIFYMHPSA-N 1 0 283.372 0.313 10 0 CCAERO O=C(c1ccco1)N1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000020184169 171047229 /nfs/dbraw/zinc/04/72/29/171047229.db2.gz OUUXUMVQYZZAAA-LLVKDONJSA-N 1 0 277.324 0.316 10 0 CCAERO CN(CCC[NH3+])c1ccc(NS(C)(=O)=O)cc1 ZINC000020224840 171087125 /nfs/dbraw/zinc/08/71/25/171087125.db2.gz KELBAQYPVFFHIO-UHFFFAOYSA-N 1 0 257.359 0.843 10 0 CCAERO [NH3+]C[C@H](c1cccc(Cl)c1)N1CCN(CCO)CC1 ZINC000020225946 171090294 /nfs/dbraw/zinc/09/02/94/171090294.db2.gz CRPMYCVSJNOXRX-CQSZACIVSA-N 1 0 283.803 0.950 10 0 CCAERO NC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(N)c2)C1 ZINC000022212102 171374125 /nfs/dbraw/zinc/37/41/25/171374125.db2.gz IORSOMPFGNJXAT-SNVBAGLBSA-N 1 0 276.340 0.405 10 0 CCAERO CCCN1CCN(S(=O)(=O)c2cccc(C[NH3+])c2)CC1 ZINC000022220254 171377181 /nfs/dbraw/zinc/37/71/81/171377181.db2.gz FOWXZHXZWXAFGZ-UHFFFAOYSA-N 1 0 297.424 0.862 10 0 CCAERO CC(C)(CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)C(N)=O ZINC000653073947 412210773 /nfs/dbraw/zinc/21/07/73/412210773.db2.gz SMWFXWVOJBFJCJ-RNFRBKRXSA-N 1 0 281.278 0.012 10 0 CCAERO C[C@H](O)CCN(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653092324 412215532 /nfs/dbraw/zinc/21/55/32/412215532.db2.gz ZFHTXRZWIQKGSE-DJLDLDEBSA-N 1 0 268.279 0.614 10 0 CCAERO COCCCN(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653080575 412211596 /nfs/dbraw/zinc/21/15/96/412211596.db2.gz LMGQCZKPICVBMS-RKDXNWHRSA-N 1 0 268.279 0.879 10 0 CCAERO CC[NH2+][C@@H](C)[C@@H](O)COc1ccc(CC(N)=O)cc1 ZINC000028767397 171573670 /nfs/dbraw/zinc/57/36/70/171573670.db2.gz HZJRFOVIHBHXPP-GWCFXTLKSA-N 1 0 266.341 0.452 10 0 CCAERO Cc1[nH]c2ccccc2c1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000653138892 412238074 /nfs/dbraw/zinc/23/80/74/412238074.db2.gz NEXMHUWMUCPNPL-GWCFXTLKSA-N 1 0 273.336 0.786 10 0 CCAERO O=C(Cc1c[nH]c2ccccc12)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000653139167 412238776 /nfs/dbraw/zinc/23/87/76/412238776.db2.gz VMTBGDFQCBEEDP-SMDDNHRTSA-N 1 0 273.336 0.407 10 0 CCAERO CC(C)(C)[C@@H](O)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653149933 412242472 /nfs/dbraw/zinc/24/24/72/412242472.db2.gz LSBQQXWSSCGLBM-HLTSFMKQSA-N 1 0 282.306 0.908 10 0 CCAERO NC(=O)[C@@]1(O)CCCN(Cc2cc(F)cc(F)c2)C1 ZINC000284903113 196153897 /nfs/dbraw/zinc/15/38/97/196153897.db2.gz SBHLZQRDBJBUOI-CYBMUJFWSA-N 1 0 270.279 0.777 10 0 CCAERO O=C(NCc1csc(=O)[nH]1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653346670 412293063 /nfs/dbraw/zinc/29/30/63/412293063.db2.gz CUFWTDBKJOGCMI-RNFRBKRXSA-N 1 0 295.286 0.863 10 0 CCAERO C[C@@H](O)c1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000035634223 172317635 /nfs/dbraw/zinc/31/76/35/172317635.db2.gz TUWHCPAOKUNIGE-SNVBAGLBSA-N 1 0 272.370 0.580 10 0 CCAERO COc1cc(C[NH3+])cc(OC)c1OCCC(N)=O ZINC000035662972 172341476 /nfs/dbraw/zinc/34/14/76/172341476.db2.gz FOKBDPAZGOFYKV-UHFFFAOYSA-N 1 0 254.286 0.417 10 0 CCAERO CN(C(=O)c1ccc(Br)cc1)[C@@H]1C[NH2+]C[C@H]1O ZINC000036261297 172553839 /nfs/dbraw/zinc/55/38/39/172553839.db2.gz HZRSUXLJPRBWRL-GHMZBOCLSA-N 1 0 299.168 0.854 10 0 CCAERO [NH3+][C@H]1CC[C@@H]2CN(C(=O)[C@@H]3CSC(=O)N3)C[C@@H]2C1 ZINC000036261635 172554782 /nfs/dbraw/zinc/55/47/82/172554782.db2.gz DWDGDSMJKJRSFD-KATARQTJSA-N 1 0 269.370 0.397 10 0 CCAERO CO[C@H]1C[NH2+]C[C@H]1NS(=O)(=O)c1cccc(Cl)c1 ZINC000036265045 172560191 /nfs/dbraw/zinc/56/01/91/172560191.db2.gz RAWCVIJLCQRPAH-MNOVXSKESA-N 1 0 290.772 0.605 10 0 CCAERO [NH3+][C@H]1CC[C@@H]2CN(S(=O)(=O)N3CCCC3)C[C@@H]2C1 ZINC000036267230 172561963 /nfs/dbraw/zinc/56/19/63/172561963.db2.gz WVPMEXLXVGHLAE-WOPDTQHZSA-N 1 0 273.402 0.386 10 0 CCAERO O=S(=O)(c1ccc(F)cc1)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC000036284768 172579150 /nfs/dbraw/zinc/57/91/50/172579150.db2.gz WLTQDLSIHAQCTK-JOYOIKCWSA-N 1 0 270.329 0.808 10 0 CCAERO CN(C)C(=O)CN(C)C[C@H](O)c1ccc(C[NH3+])cc1 ZINC000037270214 173082216 /nfs/dbraw/zinc/08/22/16/173082216.db2.gz MMIIWVXAEJHCPA-ZDUSSCGKSA-N 1 0 265.357 0.199 10 0 CCAERO CC(C)[NH2+]CC(=O)Nc1ccc2c(c1)C(=O)NC2=O ZINC000037394784 173174989 /nfs/dbraw/zinc/17/49/89/173174989.db2.gz PBWRSJLVGLLSAC-UHFFFAOYSA-N 1 0 261.281 0.507 10 0 CCAERO COC(=O)c1ccc(C)c(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000037508656 173242934 /nfs/dbraw/zinc/24/29/34/173242934.db2.gz OHNNQAHKMSXLGV-ZYHUDNBSSA-N 1 0 278.308 0.443 10 0 CCAERO CCOC(=O)[C@H]1CSCCN1C(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC000037803849 173743267 /nfs/dbraw/zinc/74/32/67/173743267.db2.gz FBTLPSPBYDWBGT-AXFHLTTASA-N 1 0 288.413 0.867 10 0 CCAERO CC(C)[NH+]1CCC(NC[C@@H]2CCCO2)(C(N)=O)CC1 ZINC000037942960 173883510 /nfs/dbraw/zinc/88/35/10/173883510.db2.gz LJXVILMXYCEQRF-LBPRGKRZSA-N 1 0 269.389 0.483 10 0 CCAERO C[C@](C(N)=O)(c1ccc(F)c(F)c1)N1CC[NH2+]CC1 ZINC000037951541 173892894 /nfs/dbraw/zinc/89/28/94/173892894.db2.gz QLCWGTPQMWIYDA-CYBMUJFWSA-N 1 0 269.295 0.571 10 0 CCAERO C[C@H](C[NH2+][C@@H]1CCS(=O)(=O)C1)N1CCCCC1 ZINC000038029183 174019448 /nfs/dbraw/zinc/01/94/48/174019448.db2.gz KFRFDSOXNLGADH-VXGBXAGGSA-N 1 0 260.403 0.638 10 0 CCAERO CCn1c(N)c(NC[C@H](C)[NH+]2CCCCC2)c(=O)[nH]c1=O ZINC000038029233 174019797 /nfs/dbraw/zinc/01/97/97/174019797.db2.gz CUEIIIPVMXSYON-JTQLQIEISA-N 1 0 295.387 0.425 10 0 CCAERO CCN(CCC[NH2+]C[C@@H]1CCOC1)S(C)(=O)=O ZINC000038035428 174033965 /nfs/dbraw/zinc/03/39/65/174033965.db2.gz WTCQYJABLWVHGW-NSHDSACASA-N 1 0 264.391 0.284 10 0 CCAERO CS(=O)(=O)c1ccc(NC2CC[NH2+]CC2)cn1 ZINC000038040916 174041411 /nfs/dbraw/zinc/04/14/11/174041411.db2.gz TYOWSPINYLNTNI-UHFFFAOYSA-N 1 0 255.343 0.649 10 0 CCAERO Cc1ccc(S(N)(=O)=O)cc1NC1CC[NH2+]CC1 ZINC000038041366 174041844 /nfs/dbraw/zinc/04/18/44/174041844.db2.gz MJSREMQDCBHZCZ-UHFFFAOYSA-N 1 0 269.370 0.806 10 0 CCAERO COc1cc(C[NH2+]CCCS(C)(=O)=O)ccc1O ZINC000038046993 174056262 /nfs/dbraw/zinc/05/62/62/174056262.db2.gz LACNIGVHMCSGCV-UHFFFAOYSA-N 1 0 273.354 0.925 10 0 CCAERO CS(=O)(=O)CCC[NH2+]C[C@H](O)c1cccs1 ZINC000038047962 174058937 /nfs/dbraw/zinc/05/89/37/174058937.db2.gz VQBJVQGKFLBXJJ-VIFPVBQESA-N 1 0 263.384 0.806 10 0 CCAERO C[C@@H](NC(=O)CC1CC[NH2+]CC1)C(=O)N1CCCCC1 ZINC000038075649 174086027 /nfs/dbraw/zinc/08/60/27/174086027.db2.gz DSGXXAMZRCLREU-GFCCVEGCSA-N 1 0 281.400 0.893 10 0 CCAERO Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000038083198 174092645 /nfs/dbraw/zinc/09/26/45/174092645.db2.gz PLBJEAWVZVOMGN-ZYHUDNBSSA-N 1 0 283.397 0.822 10 0 CCAERO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCN(C(=O)OC)CC1 ZINC000038101804 174117731 /nfs/dbraw/zinc/11/77/31/174117731.db2.gz MSVUZOFLLOUGSL-ZJUUUORDSA-N 1 0 257.334 0.270 10 0 CCAERO [NH3+]CCCCCCNC(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000040167872 174198863 /nfs/dbraw/zinc/19/88/63/174198863.db2.gz BZJSCYFMPZFUCR-LLVKDONJSA-N 1 0 291.417 0.239 10 0 CCAERO NNc1[nH+]cnc(Nc2ccc3c(c2)OCCO3)c1N ZINC000040762076 174397049 /nfs/dbraw/zinc/39/70/49/174397049.db2.gz ITTHYZYZMHNZFN-UHFFFAOYSA-N 1 0 274.284 0.859 10 0 CCAERO Cn1ncc(Cl)c1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000662766491 414774330 /nfs/dbraw/zinc/77/43/30/414774330.db2.gz NHGUUTMDBXJPDN-XKSSXDPKSA-N 1 0 268.748 0.883 10 0 CCAERO COc1cccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1C ZINC000662562273 414728829 /nfs/dbraw/zinc/72/88/29/414728829.db2.gz IDYYDPVZLIXTPZ-PWSUYJOCSA-N 1 0 264.325 0.314 10 0 CCAERO O=C([C@@H]1CC[NH2+]C1)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000662949881 414912394 /nfs/dbraw/zinc/91/23/94/414912394.db2.gz HZOIRYKBMUZBJQ-BDAKNGLRSA-N 1 0 266.263 0.776 10 0 CCAERO O=C([C@@H]1CC[NH2+]C1)N1CCO[C@H](CC(F)(F)F)C1 ZINC000662949884 414912548 /nfs/dbraw/zinc/91/25/48/414912548.db2.gz HZOIRYKBMUZBJQ-RKDXNWHRSA-N 1 0 266.263 0.776 10 0 CCAERO C[C@H](CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)S(C)(=O)=O ZINC000662973209 414928154 /nfs/dbraw/zinc/92/81/54/414928154.db2.gz PZGUFHHOFPXCLU-UTLUCORTSA-N 1 0 262.375 0.053 10 0 CCAERO Cc1nn(C)c(C)c1C(=O)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000662978474 414931283 /nfs/dbraw/zinc/93/12/83/414931283.db2.gz QCWLZNBWDPAPRS-MRVPVSSYSA-N 1 0 278.278 0.999 10 0 CCAERO CN(C(=O)[C@@H]1CCCCO1)[C@H](C[NH3+])C(F)(F)F ZINC000662984367 414933476 /nfs/dbraw/zinc/93/34/76/414933476.db2.gz KRHMLQQXAQPLLL-JGVFFNPUSA-N 1 0 254.252 0.904 10 0 CCAERO CN1C[C@H](CNC(=O)c2ccccc2CC[NH3+])CC1=O ZINC000662886852 414869855 /nfs/dbraw/zinc/86/98/55/414869855.db2.gz PAKJQPIQLVAANV-NSHDSACASA-N 1 0 275.352 0.396 10 0 CCAERO CO[C@@H](CNC(=O)[C@@H]1C[NH2+]CCOC1)C1CCCC1 ZINC000662922825 414894256 /nfs/dbraw/zinc/89/42/56/414894256.db2.gz YVPSAFJFADTARZ-OLZOCXBDSA-N 1 0 270.373 0.544 10 0 CCAERO C[C@H](NS(=O)(=O)CCCC[NH3+])c1ccccn1 ZINC000042525202 174774761 /nfs/dbraw/zinc/77/47/61/174774761.db2.gz HIGWFVWIVJIRQI-JTQLQIEISA-N 1 0 257.359 0.801 10 0 CCAERO C[NH2+]CCS(=O)(=O)N(CCO)C1CCCCC1 ZINC000042526710 174776827 /nfs/dbraw/zinc/77/68/27/174776827.db2.gz HZLDSBXCLRMSIZ-UHFFFAOYSA-N 1 0 264.391 0.163 10 0 CCAERO COC[C@H]([NH3+])C(=O)N1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000663004603 414946633 /nfs/dbraw/zinc/94/66/33/414946633.db2.gz NETACLDOEHIPCX-VHSKPIJISA-N 1 0 266.288 0.231 10 0 CCAERO CCCc1nccnc1N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000663272351 415032490 /nfs/dbraw/zinc/03/24/90/415032490.db2.gz LNWDFBZUTVKXOU-ZDUSSCGKSA-N 1 0 275.400 0.913 10 0 CCAERO CNC(=O)CN(C)[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000042960851 174925341 /nfs/dbraw/zinc/92/53/41/174925341.db2.gz ZFZGEMRLYYCEMI-GFCCVEGCSA-N 1 0 251.330 0.373 10 0 CCAERO NC(=O)CN(C(=O)C1(C[NH3+])CCCC1)C1CCCC1 ZINC000044764046 175248198 /nfs/dbraw/zinc/24/81/98/175248198.db2.gz IDSAKJIEUMGFSQ-UHFFFAOYSA-N 1 0 267.373 0.762 10 0 CCAERO CN(C[C@@H]1CC[N@H+](C)C1)S(=O)(=O)c1cc(N)cs1 ZINC000071188317 176062972 /nfs/dbraw/zinc/06/29/72/176062972.db2.gz VKQRFOLIDUOUEN-SECBINFHSA-N 1 0 289.426 0.903 10 0 CCAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cc(NN)ccn1 ZINC000071193212 176075534 /nfs/dbraw/zinc/07/55/34/176075534.db2.gz XYNBXYRAIOPLRB-SNVBAGLBSA-N 1 0 263.345 0.391 10 0 CCAERO C[C@H]1CN(S(=O)(=O)c2ccc(F)c(C[NH3+])c2)CCO1 ZINC000071238661 176093713 /nfs/dbraw/zinc/09/37/13/176093713.db2.gz BYDNAKDRJNCSMG-VIFPVBQESA-N 1 0 288.344 0.694 10 0 CCAERO C[NH2+]Cc1cc(C)ccc1O[C@H](C)C(=O)NC(N)=O ZINC000071403667 176155206 /nfs/dbraw/zinc/15/52/06/176155206.db2.gz JFRFYHPZFBFYOO-SECBINFHSA-N 1 0 265.313 0.677 10 0 CCAERO COc1ccc(S(=O)(=O)NCC[NH3+])c(OC)c1C ZINC000071615092 176234151 /nfs/dbraw/zinc/23/41/51/176234151.db2.gz UPCXSOQVLCXBSU-UHFFFAOYSA-N 1 0 274.342 0.249 10 0 CCAERO CC(C)(C)OC(=O)[C@](N)(C[NH3+])C(=O)OCc1ccccc1 ZINC000071791677 176263316 /nfs/dbraw/zinc/26/33/16/176263316.db2.gz XSDHDBLOYDLUJX-HNNXBMFYSA-N 1 0 294.351 0.728 10 0 CCAERO CC[C@H](C[NH3+])CC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000076675199 177055625 /nfs/dbraw/zinc/05/56/25/177055625.db2.gz WQKIEPDGUCRIPT-VHSXEESVSA-N 1 0 262.375 0.007 10 0 CCAERO CC[C@@H](C[NH3+])CCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000076675248 177055761 /nfs/dbraw/zinc/05/57/61/177055761.db2.gz UALWRFIAPVHYKW-ZJUUUORDSA-N 1 0 262.375 0.055 10 0 CCAERO CCC[C@@H](CCC[NH3+])C(=O)N1CCN(C(C)=O)CC1 ZINC000076707796 177066553 /nfs/dbraw/zinc/06/65/53/177066553.db2.gz CSOHVUGSFVVABV-ZDUSSCGKSA-N 1 0 269.389 0.832 10 0 CCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C[C@H]1CCOC1)C1CC1 ZINC000235280958 269749798 /nfs/dbraw/zinc/74/97/98/269749798.db2.gz YRMQARKWJDZMQF-NQBHXWOUSA-N 1 0 252.358 0.869 10 0 CCAERO CC(C)(C)[C@@H](C[NH3+])Cn1cc(S(C)(=O)=O)cn1 ZINC000725242084 545873989 /nfs/dbraw/zinc/87/39/89/545873989.db2.gz DVZQIJIPZHGBTE-VIFPVBQESA-N 1 0 259.375 0.908 10 0 CCAERO CC(C)S(=O)(=O)NC1CCC2(CC1)C[NH2+]CCO2 ZINC000725244319 545874693 /nfs/dbraw/zinc/87/46/93/545874693.db2.gz SFBHLLIPSGTSNZ-UHFFFAOYSA-N 1 0 276.402 0.615 10 0 CCAERO CS(=O)(=O)c1cnn(Cc2cc(F)ccc2C[NH3+])c1 ZINC000725251538 545875794 /nfs/dbraw/zinc/87/57/94/545875794.db2.gz AWHJIJDCMXEPAZ-UHFFFAOYSA-N 1 0 283.328 0.933 10 0 CCAERO C[C@@H]1C[C@@H](n2cc(S(C)(=O)=O)cn2)C[NH2+][C@H]1C ZINC000725251645 545876826 /nfs/dbraw/zinc/87/68/26/545876826.db2.gz CZLCHNDMXHVUMM-KXUCPTDWSA-N 1 0 257.359 0.846 10 0 CCAERO CS(=O)(=O)c1cnn([C@@H](C[NH3+])c2ccco2)c1 ZINC000725253255 545877939 /nfs/dbraw/zinc/87/79/39/545877939.db2.gz SHFLDNYPBOXVJZ-VIFPVBQESA-N 1 0 255.299 0.428 10 0 CCAERO Cc1nnc(-n2cc(S(C)(=O)=O)cn2)c(C[NH3+])c1C ZINC000725253440 545878513 /nfs/dbraw/zinc/87/85/13/545878513.db2.gz VNUGLKAKOPWZGW-UHFFFAOYSA-N 1 0 281.341 0.141 10 0 CCAERO CCS(=O)(=O)N(C)c1cc(C[NH3+])ccc1OC ZINC000725256158 545879848 /nfs/dbraw/zinc/87/98/48/545879848.db2.gz VNEYNFYCPPLEKA-UHFFFAOYSA-N 1 0 258.343 0.940 10 0 CCAERO COCCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH3+] ZINC000725255466 545879734 /nfs/dbraw/zinc/87/97/34/545879734.db2.gz SNGFMTIYVRPTTP-NXEZZACHSA-N 1 0 260.334 0.596 10 0 CCAERO COC1(OC)CC[C@@H](CS(C)(=O)=O)C[C@@H]1CC[NH3+] ZINC000725261973 545881517 /nfs/dbraw/zinc/88/15/17/545881517.db2.gz PFSNDYVYHTWOPM-MNOVXSKESA-N 1 0 279.402 0.785 10 0 CCAERO COC1(OC)CC[C@H](CS(C)(=O)=O)C[C@@H]1CC[NH3+] ZINC000725261974 545881795 /nfs/dbraw/zinc/88/17/95/545881795.db2.gz PFSNDYVYHTWOPM-QWRGUYRKSA-N 1 0 279.402 0.785 10 0 CCAERO C[C@@H]1C[NH2+]CCN1[C@H]1CC(=O)N[C@H](C(F)(F)F)C1 ZINC000725263035 545883117 /nfs/dbraw/zinc/88/31/17/545883117.db2.gz FUNXLXVICRCRRP-HLTSFMKQSA-N 1 0 265.279 0.490 10 0 CCAERO C[C@H](C(=O)N1CC(N2C[C@H]([NH3+])CC2=O)C1)C(C)(C)C ZINC000725272534 545888724 /nfs/dbraw/zinc/88/87/24/545888724.db2.gz OWEJOPSJWAOYLP-NXEZZACHSA-N 1 0 267.373 0.439 10 0 CCAERO CC(=O)Nc1ccc(C(=O)N2CCN(C)CC2)o1 ZINC000064552737 544447330 /nfs/dbraw/zinc/44/73/30/544447330.db2.gz HDGBZUFUESJGPN-UHFFFAOYSA-N 1 0 251.286 0.626 10 0 CCAERO CN(C(=O)N[C@@H]1C[C@H]1c1ccccc1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333787363 228214706 /nfs/dbraw/zinc/21/47/06/228214706.db2.gz LXMYCNGIUJRMMW-CRWXNKLISA-N 1 0 275.352 0.517 10 0 CCAERO [NH3+]CCOCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000093231017 544539529 /nfs/dbraw/zinc/53/95/29/544539529.db2.gz LRMNAERARMKWBX-LLVKDONJSA-N 1 0 250.298 0.602 10 0 CCAERO CCCN(CC(=O)N(C)C)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089458356 544515028 /nfs/dbraw/zinc/51/50/28/544515028.db2.gz XVHNABWWBLTPGE-NWDGAFQWSA-N 1 0 269.389 0.688 10 0 CCAERO CCc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)n(C)n1 ZINC000090127170 544519554 /nfs/dbraw/zinc/51/95/54/544519554.db2.gz DFVUCCWRIRQRLI-FOSCPWQOSA-N 1 0 262.357 0.995 10 0 CCAERO CCc1cc(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)n(C)n1 ZINC000091496197 544526131 /nfs/dbraw/zinc/52/61/31/544526131.db2.gz LEEZXQIKYQAEKW-KOLCDFICSA-N 1 0 250.346 0.853 10 0 CCAERO NC(=O)c1cc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)ccc1F ZINC000091547161 544527792 /nfs/dbraw/zinc/52/77/92/544527792.db2.gz TZTCRKNTOSMDAN-YUMQZZPRSA-N 1 0 265.288 0.991 10 0 CCAERO NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000097092366 544552942 /nfs/dbraw/zinc/55/29/42/544552942.db2.gz CTCOXCJRELTBHB-BDAKNGLRSA-N 1 0 283.353 0.400 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H](C)c1nnc2n1CCC2 ZINC000136321914 544637174 /nfs/dbraw/zinc/63/71/74/544637174.db2.gz IYSINJVGHZUCJB-VHSXEESVSA-N 1 0 265.361 0.775 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)Nc1cccc(-n2cnnn2)c1 ZINC000136331251 544638057 /nfs/dbraw/zinc/63/80/57/544638057.db2.gz OSSZEDAJMKURKB-GFCCVEGCSA-N 1 0 274.328 0.974 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000136299735 544638157 /nfs/dbraw/zinc/63/81/57/544638157.db2.gz REQMHVNIPSYAOZ-NSHDSACASA-N 1 0 285.369 0.646 10 0 CCAERO CCN(CCCNC(=O)C[C@H]([NH3+])C(C)C)S(C)(=O)=O ZINC000136411110 544639052 /nfs/dbraw/zinc/63/90/52/544639052.db2.gz VXJUZOOKGYBTDK-NSHDSACASA-N 1 0 293.433 0.148 10 0 CCAERO CNC(=O)[C@@H]1CCCN1C(=O)NCCC1CC[NH+](C)CC1 ZINC000158097806 544687989 /nfs/dbraw/zinc/68/79/89/544687989.db2.gz ZIAXDNGRCSBECZ-ZDUSSCGKSA-N 1 0 296.415 0.638 10 0 CCAERO C[C@H](CN1CCOCC1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000180688197 544754661 /nfs/dbraw/zinc/75/46/61/544754661.db2.gz VUNVRHNLSGKFQH-CABCVRRESA-N 1 0 283.416 0.114 10 0 CCAERO CCN1CCO[C@H](C[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)C1 ZINC000228186907 544841452 /nfs/dbraw/zinc/84/14/52/544841452.db2.gz XOVZKDGWYHPCMT-UMVBOHGHSA-N 1 0 267.417 0.922 10 0 CCAERO CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000229786610 544850010 /nfs/dbraw/zinc/85/00/10/544850010.db2.gz APJUUPQFWFQORF-YUSALJHKSA-N 1 0 253.346 0.112 10 0 CCAERO Brc1cncnc1NC[C@@H]1COCC[NH2+]1 ZINC000232484377 544863975 /nfs/dbraw/zinc/86/39/75/544863975.db2.gz LSZYKPQFFRVNPQ-SSDOTTSWSA-N 1 0 273.134 0.639 10 0 CCAERO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](CNC3=[NH+]CCN32)C1 ZINC000232498527 544864692 /nfs/dbraw/zinc/86/46/92/544864692.db2.gz QFZCTEOMFPQMHZ-QWRGUYRKSA-N 1 0 280.372 0.887 10 0 CCAERO COCC1(C(=O)N[C@@H]2CCC[C@H](O)C2)CC[NH2+]CC1 ZINC000234673005 544868800 /nfs/dbraw/zinc/86/88/00/544868800.db2.gz CGSMOHZBUNZBPY-NEPJUHHUSA-N 1 0 270.373 0.422 10 0 CCAERO C[C@@H]1C[N@H+](Cc2cncnc2)C[C@H]1N1CCOCC1 ZINC000245783695 544906837 /nfs/dbraw/zinc/90/68/37/544906837.db2.gz USZUQZCRYKMPDS-TZMCWYRMSA-N 1 0 262.357 0.629 10 0 CCAERO C[NH+](C)[C@H]1CCN(S(=O)(=O)CC[C@H]2CCCO2)C1 ZINC000246053012 544907675 /nfs/dbraw/zinc/90/76/75/544907675.db2.gz UTEDVVWIRQTPDS-NWDGAFQWSA-N 1 0 276.402 0.521 10 0 CCAERO C[C@H](CN1CCCC1=O)NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000251112142 544925700 /nfs/dbraw/zinc/92/57/00/544925700.db2.gz PEVJINIPBQVGSN-WOPDTQHZSA-N 1 0 267.373 0.489 10 0 CCAERO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000251333793 544926158 /nfs/dbraw/zinc/92/61/58/544926158.db2.gz PIRLCPAZOZNCJJ-FVCCEPFGSA-N 1 0 279.384 0.346 10 0 CCAERO CC(C)(CCS(C)(=O)=O)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261819680 544937191 /nfs/dbraw/zinc/93/71/91/544937191.db2.gz SPOBBIAVAOUDSY-GHMZBOCLSA-N 1 0 290.429 0.691 10 0 CCAERO CCCN(C)c1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262100035 544939056 /nfs/dbraw/zinc/93/90/56/544939056.db2.gz DRKYSDMUEUMWLJ-ZFWWWQNUSA-N 1 0 291.395 0.843 10 0 CCAERO COc1cccc([C@H](C)CC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262142420 544941873 /nfs/dbraw/zinc/94/18/73/544941873.db2.gz HHAYSLZOQSCIEC-KYOSRNDESA-N 1 0 292.379 0.885 10 0 CCAERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000333794249 545042981 /nfs/dbraw/zinc/04/29/81/545042981.db2.gz GQTBZCYZBDMKLX-MFKMUULPSA-N 1 0 294.399 0.437 10 0 CCAERO Cn1ncc2c1nc(N1CC[N@@H+]3CCC[C@H]3C1)[nH]c2=O ZINC000329097056 545020931 /nfs/dbraw/zinc/02/09/31/545020931.db2.gz CCSDMYQXPOWSTF-VIFPVBQESA-N 1 0 274.328 0.353 10 0 CCAERO Cn1cc(-c2nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)nn1 ZINC000329600125 545023959 /nfs/dbraw/zinc/02/39/59/545023959.db2.gz PYAKVXDCPQMQMR-SCZZXKLOSA-N 1 0 276.300 0.401 10 0 CCAERO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCO[C@H]1C ZINC000332765303 545032424 /nfs/dbraw/zinc/03/24/24/545032424.db2.gz MMWWDABPBJYGAK-URBCHYCLSA-N 1 0 267.373 0.946 10 0 CCAERO C[C@H](C[C@H]1CCCO1)NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000332828781 545034328 /nfs/dbraw/zinc/03/43/28/545034328.db2.gz PEECGGWQANCASG-MGPQQGTHSA-N 1 0 298.431 0.489 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000333606573 545040567 /nfs/dbraw/zinc/04/05/67/545040567.db2.gz RGRVRYAGDKMMSE-ASEORRQLSA-N 1 0 292.383 0.754 10 0 CCAERO C[C@@H]1CN(C(=O)c2ccc3c(c2)OCC(=O)N3)C[C@@H]1[NH3+] ZINC000521042815 269774304 /nfs/dbraw/zinc/77/43/04/269774304.db2.gz SHFZASXRGHCZSI-SCZZXKLOSA-N 1 0 275.308 0.437 10 0 CCAERO CCC[C@H](C(=O)N[C@H](C)CN1CCCC1=O)[NH+](C)C ZINC000179564321 260055343 /nfs/dbraw/zinc/05/53/43/260055343.db2.gz RWHGMSOWRVYXIL-VXGBXAGGSA-N 1 0 269.389 0.844 10 0 CCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cnn(-c2ccccc2)n1 ZINC000261868749 274438065 /nfs/dbraw/zinc/43/80/65/274438065.db2.gz YQPCGURLNSKMEV-ZYHUDNBSSA-N 1 0 271.324 0.829 10 0 CCAERO CC(C)[C@@]1(C)C[C@H]1NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333675646 276010538 /nfs/dbraw/zinc/01/05/38/276010538.db2.gz YXCFLKFLNDTRPY-MEWQQHAOSA-N 1 0 255.362 0.395 10 0 CCAERO CC1(C)[C@@H]([NH2+][C@@H]2CCc3ncnn3C2)[C@@H]2CCO[C@@H]21 ZINC000333276137 276159255 /nfs/dbraw/zinc/15/92/55/276159255.db2.gz IPRPDWFPFZIKGC-URBCHYCLSA-N 1 0 262.357 0.996 10 0 CCAERO CCC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000261749327 276204398 /nfs/dbraw/zinc/20/43/98/276204398.db2.gz LAUQRLDTWQTVFU-TUAOUCFPSA-N 1 0 283.372 0.010 10 0 CCAERO CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246611541 276237217 /nfs/dbraw/zinc/23/72/17/276237217.db2.gz YDNOWJSXZISWID-QLFBSQMISA-N 1 0 297.443 0.944 10 0 CCAERO CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000089457051 277045486 /nfs/dbraw/zinc/04/54/86/277045486.db2.gz QJSFWDZYXNZEMC-JHJVBQTASA-N 1 0 267.373 0.489 10 0 CCAERO C[N@@H+]1CCO[C@@H]2CCN(c3ccnc(C(N)=O)c3)C[C@H]21 ZINC000328955278 277121257 /nfs/dbraw/zinc/12/12/57/277121257.db2.gz NFPPIBJGRKHDGZ-CHWSQXEVSA-N 1 0 276.340 0.090 10 0 CCAERO CC(C)(C)OC(=O)N1CCCn2c(=O)cc(C[NH3+])nc2C1 ZINC000091303227 277187358 /nfs/dbraw/zinc/18/73/58/277187358.db2.gz CFNMSPZEASMWFQ-UHFFFAOYSA-N 1 0 294.355 0.843 10 0 CCAERO CO[C@@H](CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccccc1 ZINC000262172904 277280594 /nfs/dbraw/zinc/28/05/94/277280594.db2.gz YQOUFBOPCHHFNZ-RDBSUJKOSA-N 1 0 278.352 0.997 10 0 CCAERO CO[C@@H]1CC[C@@H]2OCCN(C(=O)C3C[NH2+]C3)[C@@H]2C1 ZINC000263335723 277295322 /nfs/dbraw/zinc/29/53/22/277295322.db2.gz WHAHQTCTFLXPON-UTUOFQBUSA-N 1 0 254.330 0.001 10 0 CCAERO COC(=O)CSc1cncc(N2CC[C@H]([NH+](C)C)C2)n1 ZINC000302239064 277324228 /nfs/dbraw/zinc/32/42/28/277324228.db2.gz WXMNMCKVMMZOTM-JTQLQIEISA-N 1 0 296.396 0.882 10 0 CCAERO COc1cc(OC)nc(N2CC[N@H+](C)C[C@@H]2C)n1 ZINC000408104886 277387284 /nfs/dbraw/zinc/38/72/84/277387284.db2.gz RMLHOWDXNLAMAP-VIFPVBQESA-N 1 0 252.318 0.634 10 0 CCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C1=NNC(=O)CC1 ZINC000040437633 277477782 /nfs/dbraw/zinc/47/77/82/277477782.db2.gz OVVREFRFLHCZOX-SNVBAGLBSA-N 1 0 268.361 0.345 10 0 CCAERO CC1(C)CN(C(=O)C(=O)N2CCCCCC2)CC[C@H]1[NH3+] ZINC000335052895 278291859 /nfs/dbraw/zinc/29/18/59/278291859.db2.gz VLZOBKABVLARKV-GFCCVEGCSA-N 1 0 281.400 0.975 10 0 CCAERO CC1(C)CN(C(=O)C(=O)N2CCCC3(CC3)C2)CC[C@@H]1[NH3+] ZINC000335378425 278291943 /nfs/dbraw/zinc/29/19/43/278291943.db2.gz MXXJCSWWRUJGIR-LBPRGKRZSA-N 1 0 293.411 0.975 10 0 CCAERO CC1(C)CN([C@@H]2CCN(C3CC3)C2=O)CC[C@@H]1[NH3+] 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GFNRMXCNFXKKKJ-JTQLQIEISA-N 1 0 259.350 0.483 10 0 CCAERO COC(=O)[C@@H]1C[N@H+](C[C@@H](O)CN(C)C2CC2)C[C@@H]1C ZINC000312070938 625362232 /nfs/dbraw/zinc/36/22/32/625362232.db2.gz NNXIHGBNAIKJJP-WCFLWFBJSA-N 1 0 270.373 0.182 10 0 CCAERO O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)C(F)(F)F ZINC000262049923 622635946 /nfs/dbraw/zinc/63/59/46/622635946.db2.gz ZOHXDDNWNSKXAB-ZRUFSTJUSA-N 1 0 282.306 0.656 10 0 CCAERO C[C@@H]1CCCCN1S(=O)(=O)NCC1CC([NH3+])C1 ZINC000091524314 622848237 /nfs/dbraw/zinc/84/82/37/622848237.db2.gz NHRADQASCUJTLW-KPPDAEKUSA-N 1 0 261.391 0.433 10 0 CCAERO C[S@@](=O)CC[NH2+]C[C@H](O)COCc1ccco1 ZINC000158107681 623026010 /nfs/dbraw/zinc/02/60/10/623026010.db2.gz IJGMULSMUHLKHU-BTDLBPIBSA-N 1 0 261.343 0.125 10 0 CCAERO [NH3+]C[C@@H]1CN([C@H]2CCOC2=O)C[C@H]1c1ccccc1 ZINC000328330411 623878364 /nfs/dbraw/zinc/87/83/64/623878364.db2.gz HHXFXCYBHQZXRQ-RDBSUJKOSA-N 1 0 260.337 0.976 10 0 CCAERO CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000306064282 624594325 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ZINC000150111225 635668006 /nfs/dbraw/zinc/66/80/06/635668006.db2.gz SVYQFJXSQNYVDV-KOLCDFICSA-N 1 0 262.375 0.083 10 0 CCAERO O=C([C@H]1CCCO1)N(C(=O)[C@H]1CCC[NH2+]C1)C1CC1 ZINC000223182320 636895399 /nfs/dbraw/zinc/89/53/99/636895399.db2.gz ZRQDAEMJTXUUQR-CMPLNLGQSA-N 1 0 266.341 0.683 10 0 CCAERO Cc1nnsc1C(=O)NCC1(C[NH+](C)C)CCOCC1 ZINC000223575568 636903595 /nfs/dbraw/zinc/90/35/95/636903595.db2.gz HNAWTTBEZDEMAG-UHFFFAOYSA-N 1 0 298.412 0.935 10 0 CCAERO C[NH+](C)CCNC(=O)c1nn2c(c1Cl)OCCC2 ZINC000223782123 636908355 /nfs/dbraw/zinc/90/83/55/636908355.db2.gz MUZUYRUFNBWDKG-UHFFFAOYSA-N 1 0 272.736 0.610 10 0 CCAERO CC[NH+]1CCN(c2nc(C)nc3c2NC(=O)[C@H](C)N3)CC1 ZINC000224022278 636913954 /nfs/dbraw/zinc/91/39/54/636913954.db2.gz DLCCHVLHDJOQDW-VIFPVBQESA-N 1 0 290.371 0.679 10 0 CCAERO C[C@@]1(C(=O)NC[C@H](O)C(F)(F)F)CCCC[NH2+]1 ZINC000227694599 637033261 /nfs/dbraw/zinc/03/32/61/637033261.db2.gz SUERLLHLHJAYCN-CBAPKCEASA-N 1 0 254.252 0.558 10 0 CCAERO 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278.377 0.292 10 0 CCAERO CC1CC[NH+](CC(=O)NC[C@H]2CN(C)CCO2)CC1 ZINC000135441758 136835184 /nfs/dbraw/zinc/83/51/84/136835184.db2.gz USHGLKRCOSBMNR-ZDUSSCGKSA-N 1 0 269.389 0.165 10 0 CCAERO CCNS(=O)(=O)[C@@H]1CCN(CC[NH+](CC)CC)C1 ZINC000181534137 136894594 /nfs/dbraw/zinc/89/45/94/136894594.db2.gz WMAINCMMYGVSKP-GFCCVEGCSA-N 1 0 277.434 0.342 10 0 CCAERO CC(C)[NH2+]CCN1CCC(N2CCNC2=O)CC1 ZINC000193424000 136943218 /nfs/dbraw/zinc/94/32/18/136943218.db2.gz JCCCBDGIKUUCCM-UHFFFAOYSA-N 1 0 254.378 0.474 10 0 CCAERO CCC(=O)N1CSC[C@H]1C(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261670882 137015170 /nfs/dbraw/zinc/01/51/70/137015170.db2.gz ACRNVKMEJOYNHS-QWRGUYRKSA-N 1 0 299.440 0.884 10 0 CCAERO NC(=O)c1ccc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)nc1 ZINC000249902585 137000916 /nfs/dbraw/zinc/00/09/16/137000916.db2.gz IFPJDIZPCYUGAG-RYUDHWBXSA-N 1 0 276.340 0.456 10 0 CCAERO O=C(NC[C@@H]1CCCCO1)N[C@H]1CCCC[NH2+]C1 ZINC000258775659 137005616 /nfs/dbraw/zinc/00/56/16/137005616.db2.gz 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CCCC(=O)NC[C@@H]1CCCN(C(=O)C2C[NH2+]C2)C1 ZINC000262236282 137032562 /nfs/dbraw/zinc/03/25/62/137032562.db2.gz NDACYBVIJFTHMJ-NSHDSACASA-N 1 0 267.373 0.361 10 0 CCAERO Cc1cc(C)n([C@H](C)CC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)n1 ZINC000262255338 137033163 /nfs/dbraw/zinc/03/31/63/137033163.db2.gz LUGQBWFRRQXLNV-UPJWGTAASA-N 1 0 280.372 0.148 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc2c(c1)CCC2 ZINC000262274554 137034209 /nfs/dbraw/zinc/03/42/09/137034209.db2.gz NHQXBSLPKQAKRI-ZIAGYGMSSA-N 1 0 260.337 0.485 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cc(F)cc2[nH]cnc21 ZINC000262296890 137035743 /nfs/dbraw/zinc/03/57/43/137035743.db2.gz PGNDAKRZWNPORM-WRWORJQWSA-N 1 0 278.287 0.012 10 0 CCAERO CC(C)c1nc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cs1 ZINC000262307921 137036954 /nfs/dbraw/zinc/03/69/54/137036954.db2.gz QFOJXICYUOSJAA-WPRPVWTQSA-N 1 0 269.370 0.577 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cccc(OC(F)F)c1 ZINC000262319026 137037522 /nfs/dbraw/zinc/03/75/22/137037522.db2.gz RDRMWDVNWKMLRC-ONGXEEELSA-N 1 0 286.278 0.598 10 0 CCAERO O=C(Cc1cccc2cccnc21)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262331988 137038766 /nfs/dbraw/zinc/03/87/66/137038766.db2.gz SIDJVCCORGDNOM-KGLIPLIRSA-N 1 0 285.347 0.474 10 0 CCAERO O=C(NCCCOc1ccc(F)cc1)C1C[NH2+]C1 ZINC000263265707 137062369 /nfs/dbraw/zinc/06/23/69/137062369.db2.gz HHAXWSLEIVBKBT-UHFFFAOYSA-N 1 0 252.289 0.930 10 0 CCAERO O=C(CCCNC(=O)C1C[NH2+]C1)N1CCc2ccccc21 ZINC000263281679 137062427 /nfs/dbraw/zinc/06/24/27/137062427.db2.gz JSTJVLWIDWNRCU-UHFFFAOYSA-N 1 0 287.363 0.692 10 0 CCAERO CN1CC[NH2+]C[C@@H]1c1noc(COc2ccc(O)cc2)n1 ZINC000263311349 137063750 /nfs/dbraw/zinc/06/37/50/137063750.db2.gz YSJGFRWDXWWMDE-GFCCVEGCSA-N 1 0 290.323 0.930 10 0 CCAERO O=C(CCNC(=O)C1C[NH2+]C1)NCc1ccccc1 ZINC000263314545 137063775 /nfs/dbraw/zinc/06/37/75/137063775.db2.gz PXSWPXHFAZQDRX-UHFFFAOYSA-N 1 0 261.325 0.029 10 0 CCAERO Cc1ccnc(N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)n1 ZINC000265529253 137069145 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264.325 0.946 10 0 CCAERO CCNC(=O)c1ccc(NC(=O)[C@H]2C[C@@H](OC)C[NH2+]2)cc1 ZINC000040633585 348240390 /nfs/dbraw/zinc/24/03/90/348240390.db2.gz KFKNMRMIVGLXEJ-CHWSQXEVSA-N 1 0 291.351 0.752 10 0 CCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)NCCc2ccc(O)cc2)C1 ZINC000040736987 348240975 /nfs/dbraw/zinc/24/09/75/348240975.db2.gz BZWVKESLPLZQHC-QWHCGFSZSA-N 1 0 264.325 0.428 10 0 CCAERO C[C@@H]([NH2+]C[C@H](O)COCc1ccco1)C(=O)N(C)C ZINC000049098742 348442117 /nfs/dbraw/zinc/44/21/17/348442117.db2.gz SQWXAEAPBFCHJU-MNOVXSKESA-N 1 0 270.329 0.223 10 0 CCAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)NCC1CC1 ZINC000049188749 348444928 /nfs/dbraw/zinc/44/49/28/348444928.db2.gz FUAKMYWEZOAMHB-LBPRGKRZSA-N 1 0 255.362 0.542 10 0 CCAERO Cc1nn(C)c(C)c1CC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000049515974 348455631 /nfs/dbraw/zinc/45/56/31/348455631.db2.gz MVOJGBUFNCZXQJ-ZDUSSCGKSA-N 1 0 276.384 0.886 10 0 CCAERO C[NH2+][C@H](C)C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 ZINC000054074347 348540042 /nfs/dbraw/zinc/54/00/42/348540042.db2.gz 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C[N@H+](CCN1C(=O)c2ccccc2C1=O)CC1CC(O)C1 ZINC000091490264 180169538 /nfs/dbraw/zinc/16/95/38/180169538.db2.gz DWMKTATYVFRWFD-UHFFFAOYSA-N 1 0 288.347 0.985 10 0 CCAERO O=C(NC[C@H]1CCN(CC(F)(F)F)C1)C1C[NH2+]C1 ZINC000091411787 180148800 /nfs/dbraw/zinc/14/88/00/180148800.db2.gz YZHDYQILZBYESE-MRVPVSSYSA-N 1 0 265.279 0.206 10 0 CCAERO CN(CC(C)(C)O)C(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 ZINC000129577782 350218058 /nfs/dbraw/zinc/21/80/58/350218058.db2.gz GNZSLJBYVIHEDV-WDEREUQCSA-N 1 0 257.378 0.881 10 0 CCAERO COC(=O)CCCN(C)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129655136 350219668 /nfs/dbraw/zinc/21/96/68/350219668.db2.gz HLFKMZIFQDDDJT-UHFFFAOYSA-N 1 0 285.388 0.082 10 0 CCAERO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCNC(=O)CC1 ZINC000105144487 186043769 /nfs/dbraw/zinc/04/37/69/186043769.db2.gz GQHCACTVOVIDEC-NSHDSACASA-N 1 0 280.372 0.002 10 0 CCAERO CCn1cc(C(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cn1 ZINC000134726486 350373175 /nfs/dbraw/zinc/37/31/75/350373175.db2.gz BWMFSELMKNLHRL-AAEUAGOBSA-N 1 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ZINC000110433009 186295028 /nfs/dbraw/zinc/29/50/28/186295028.db2.gz YHXQQIPZPVEPKF-NSHDSACASA-N 1 0 255.362 0.169 10 0 CCAERO Clc1cnc(NCCCN2CC[NH2+]CC2)nc1 ZINC000168049855 350819077 /nfs/dbraw/zinc/81/90/77/350819077.db2.gz GYICMSPQFDPRRK-UHFFFAOYSA-N 1 0 255.753 0.837 10 0 CCAERO CCOC(=O)C[C@H](O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000167039997 350805006 /nfs/dbraw/zinc/80/50/06/350805006.db2.gz HNESMPBUAIWPHU-AVGNSLFASA-N 1 0 270.373 0.469 10 0 CCAERO Cc1cccc(N2CCC(NC(=O)[C@H](C)[NH3+])CC2)n1 ZINC000169023834 350835451 /nfs/dbraw/zinc/83/54/51/350835451.db2.gz HCPIRILESZEHJL-NSHDSACASA-N 1 0 262.357 0.822 10 0 CCAERO CCOC(=O)CCCNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170830337 350865431 /nfs/dbraw/zinc/86/54/31/350865431.db2.gz ZFUICWJPVFTYRQ-NSHDSACASA-N 1 0 271.361 0.675 10 0 CCAERO Cn1cc(CNC(=O)N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000170833581 350866431 /nfs/dbraw/zinc/86/64/31/350866431.db2.gz VIFNSUZVKNEWLG-NSHDSACASA-N 1 0 251.334 0.266 10 0 CCAERO CCOCCO[C@H](C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170864633 350869570 /nfs/dbraw/zinc/86/95/70/350869570.db2.gz KKQPIJOEDAZIOJ-VXGBXAGGSA-N 1 0 258.362 0.591 10 0 CCAERO CC(C)NC(=O)CCCC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171470990 350911358 /nfs/dbraw/zinc/91/13/58/350911358.db2.gz XJFHWYUTVFSYBT-ZDUSSCGKSA-N 1 0 281.400 0.988 10 0 CCAERO COC(=O)NCCC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000171600719 350919076 /nfs/dbraw/zinc/91/90/76/350919076.db2.gz VENKLXVSEPQQCX-UHFFFAOYSA-N 1 0 269.345 0.429 10 0 CCAERO C[C@H](C(=O)NCC(F)(F)F)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171641934 350923859 /nfs/dbraw/zinc/92/38/59/350923859.db2.gz KNVKQLVABHLEAI-NXEZZACHSA-N 1 0 279.306 0.833 10 0 CCAERO C[C@@H]1CN(C(=O)CN2CC[N@@H+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000171643429 350924602 /nfs/dbraw/zinc/92/46/02/350924602.db2.gz HKBDDDCEGMQTJH-HZSPNIEDSA-N 1 0 281.400 0.402 10 0 CCAERO C[C@@H](C(=O)NC(=O)NC1CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171640765 350924638 /nfs/dbraw/zinc/92/46/38/350924638.db2.gz GZHIKQLZWPHIAP-CMPLNLGQSA-N 1 0 280.372 0.143 10 0 CCAERO CN(CC1CC1)C(=O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172192540 350965802 /nfs/dbraw/zinc/96/58/02/350965802.db2.gz GDJGSTHSWQQWHO-CYBMUJFWSA-N 1 0 251.374 0.635 10 0 CCAERO COC[C@@H](O)C[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000171973344 350948691 /nfs/dbraw/zinc/94/86/91/350948691.db2.gz JKKJEKNBULZNGE-HNNXBMFYSA-N 1 0 296.415 0.287 10 0 CCAERO CC[NH+](CC)CCNC(=O)N1CCC[C@H](n2cncn2)C1 ZINC000173265626 351032533 /nfs/dbraw/zinc/03/25/33/351032533.db2.gz FGRGDCPDLIXPTK-ZDUSSCGKSA-N 1 0 294.403 0.966 10 0 CCAERO CSCC(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000173280071 351034085 /nfs/dbraw/zinc/03/40/85/351034085.db2.gz LPBXTCQOFFJOMW-ZDUSSCGKSA-N 1 0 285.457 0.978 10 0 CCAERO c1ncn(C[C@H]2CCC[N@@H+](CCCN3CCOCC3)C2)n1 ZINC000173751737 351052887 /nfs/dbraw/zinc/05/28/87/351052887.db2.gz UWIWKEXUYYHOMS-HNNXBMFYSA-N 1 0 293.415 0.712 10 0 CCAERO COC(=O)[C@H](C)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000174878505 351109264 /nfs/dbraw/zinc/10/92/64/351109264.db2.gz XRJPBHLTWUIKHI-KBPBESRZSA-N 1 0 283.416 0.650 10 0 CCAERO COC[C@@H](C)[NH2+][C@@H]1CCCN(c2cc(C)nn2C)C1=O ZINC000174345597 351080779 /nfs/dbraw/zinc/08/07/79/351080779.db2.gz QHIASLVXWLNTNE-VXGBXAGGSA-N 1 0 280.372 0.848 10 0 CCAERO CC(C)[N@H+]1C[C@H](NC(=O)NCCC(=O)N(C)C)[C@@H](C)C1 ZINC000176620750 351180502 /nfs/dbraw/zinc/18/05/02/351180502.db2.gz NDBOZFLMJOBUAM-RYUDHWBXSA-N 1 0 284.404 0.493 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C1=NN(C)C(=O)CC1 ZINC000176987095 351189728 /nfs/dbraw/zinc/18/97/28/351189728.db2.gz FZWAZACVMBDFDP-NSHDSACASA-N 1 0 280.372 0.537 10 0 CCAERO C[C@H](CN1CC[N@@H+]2CCC[C@@H]2C1)CS(C)(=O)=O ZINC000176985679 351189749 /nfs/dbraw/zinc/18/97/49/351189749.db2.gz POPLKPFVILUWFG-VXGBXAGGSA-N 1 0 260.403 0.447 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000177010809 351191307 /nfs/dbraw/zinc/19/13/07/351191307.db2.gz FTRARPZYFBKVKQ-OLZOCXBDSA-N 1 0 281.400 0.798 10 0 CCAERO C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178633260 351237374 /nfs/dbraw/zinc/23/73/74/351237374.db2.gz OVXGVEDCKUMPPJ-NWDGAFQWSA-N 1 0 296.415 0.779 10 0 CCAERO OC[C@H]1C[C@H](O)C[N@@H+]1CCOc1ccccc1F ZINC000179171816 351260316 /nfs/dbraw/zinc/26/03/16/351260316.db2.gz PVSRDSBIHUNEIF-MNOVXSKESA-N 1 0 255.289 0.632 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1nnc[nH]1 ZINC000177240864 351198845 /nfs/dbraw/zinc/19/88/45/351198845.db2.gz RFFSUQNSEKBKMY-VXGBXAGGSA-N 1 0 277.372 0.823 10 0 CCAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cn(C)cn3)CC2)CCO1 ZINC000178221967 351223835 /nfs/dbraw/zinc/22/38/35/351223835.db2.gz NKJSEKZYYHRPJF-GFCCVEGCSA-N 1 0 292.383 0.745 10 0 CCAERO CC(C)N1CC[C@@H](NC(=O)[C@]2(C)CCCC[NH2+]2)C1=O ZINC000180957836 351295889 /nfs/dbraw/zinc/29/58/89/351295889.db2.gz CRJHWWAGJDCIJO-RISCZKNCSA-N 1 0 267.373 0.644 10 0 CCAERO COCc1noc(CN2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000182669316 351367352 /nfs/dbraw/zinc/36/73/52/351367352.db2.gz KWJRTUVUAKVLDB-LLVKDONJSA-N 1 0 266.345 0.886 10 0 CCAERO CN(C)C(=O)CC1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000182180434 351350556 /nfs/dbraw/zinc/35/05/56/351350556.db2.gz JKKCURWAELCJNW-CYBMUJFWSA-N 1 0 281.400 0.845 10 0 CCAERO CCOCCCNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000185215369 351437830 /nfs/dbraw/zinc/43/78/30/351437830.db2.gz FFUHHKMGBBVQSS-CHWSQXEVSA-N 1 0 287.404 0.510 10 0 CCAERO CC(=O)CCCC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000186578542 351504165 /nfs/dbraw/zinc/50/41/65/351504165.db2.gz JMCXZEHGIGRUQN-LBPRGKRZSA-N 1 0 256.346 0.535 10 0 CCAERO CCN(C)C(=O)CNC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000186184523 351481415 /nfs/dbraw/zinc/48/14/15/351481415.db2.gz NENPXANLVSSIGZ-UHFFFAOYSA-N 1 0 282.388 0.344 10 0 CCAERO C[C@H](CNC(=O)N1CC(NC(=O)C2CC2)C1)[N@H+](C)C1CC1 ZINC000187006978 351524985 /nfs/dbraw/zinc/52/49/85/351524985.db2.gz VZDDPXMFFLNRRF-SNVBAGLBSA-N 1 0 294.399 0.389 10 0 CCAERO Cc1cc(N2CC[NH+](C[C@H](O)Cn3cccn3)CC2)n[nH]1 ZINC000187208437 351533728 /nfs/dbraw/zinc/53/37/28/351533728.db2.gz FNEOOFIMNGHPQM-ZDUSSCGKSA-N 1 0 290.371 0.098 10 0 CCAERO COc1ccc(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)cc1N ZINC000188182869 351577614 /nfs/dbraw/zinc/57/76/14/351577614.db2.gz JQXZIIAFDQOYOK-OIBJUYFYSA-N 1 0 253.277 0.916 10 0 CCAERO Cc1ccc(C(=O)NCCNC(=O)[C@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000188411352 351593423 /nfs/dbraw/zinc/59/34/23/351593423.db2.gz SALPJTWLSUXMSJ-QWHCGFSZSA-N 1 0 293.342 0.541 10 0 CCAERO O=C(Nc1ccnc2ccnn21)c1n[nH]c2c1C[NH2+]CC2 ZINC000188518564 351603202 /nfs/dbraw/zinc/60/32/02/351603202.db2.gz DQOCAACMJWMJMW-UHFFFAOYSA-N 1 0 283.295 0.350 10 0 CCAERO CC[NH+]1CCN(CCCNC(=O)[C@H]2CCCO[C@@H]2C)CC1 ZINC000188646383 351614223 /nfs/dbraw/zinc/61/42/23/351614223.db2.gz RTDHDJJTTWJMPP-CABCVRRESA-N 1 0 297.443 0.945 10 0 CCAERO O=C(N[C@H]1CC[C@@H](CO)CC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188965814 351643102 /nfs/dbraw/zinc/64/31/02/351643102.db2.gz PRYKBCISTFMWAW-MGCOHNPYSA-N 1 0 278.356 0.336 10 0 CCAERO 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CC(=O)N1CCC[C@@H](CNC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000408306116 358024359 /nfs/dbraw/zinc/02/43/59/358024359.db2.gz PALZGHJDBDZKNM-UONOGXRCSA-N 1 0 296.415 0.590 10 0 CCAERO C[C@H]1OCC[C@H]1[N@H+](CCO)CC1CCS(=O)(=O)CC1 ZINC000408349178 358045433 /nfs/dbraw/zinc/04/54/33/358045433.db2.gz NEUVOCVWRSQDLV-DGCLKSJQSA-N 1 0 291.413 0.283 10 0 CCAERO C[NH+](C)CC1(C(=O)N2C[C@@H](O)C[C@@H]2CO)CCCCC1 ZINC000408369350 358056420 /nfs/dbraw/zinc/05/64/20/358056420.db2.gz VWOQVPNNJKHURJ-OLZOCXBDSA-N 1 0 284.400 0.453 10 0 CCAERO C[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](C(N)=O)C1 ZINC000408374898 358060602 /nfs/dbraw/zinc/06/06/02/358060602.db2.gz JCUZAMWKTQHIBS-BNOWGMLFSA-N 1 0 293.411 0.973 10 0 CCAERO CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000408381856 358064548 /nfs/dbraw/zinc/06/45/48/358064548.db2.gz OLFPGOZUIBGTII-IJLUTSLNSA-N 1 0 267.373 0.583 10 0 CCAERO CC[C@@H]1CC[N@@H+]1CC(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000408383770 358065347 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CC1(C)CN(c2nccc(N[C@H]3CCCOC3)n2)C[C@@H]1O ZINC000408454389 358102730 /nfs/dbraw/zinc/10/27/30/358102730.db2.gz XCNBOQCIUICZAL-RYUDHWBXSA-N 1 0 292.383 0.697 10 0 CCAERO O=C1c2sccc2S(=O)(=O)N1[C@@H]1CC[NH2+]C1 ZINC000409422885 358111670 /nfs/dbraw/zinc/11/16/70/358111670.db2.gz LQPJFDZFRFCASX-ZCFIWIBFSA-N 1 0 258.324 0.255 10 0 CCAERO COc1ccc([C@H]2C[C@H]([NH3+])C(=O)N2C)cc1OC ZINC000409442473 358113882 /nfs/dbraw/zinc/11/38/82/358113882.db2.gz VMMFCKIJUWPDNH-VHSXEESVSA-N 1 0 250.298 0.934 10 0 CCAERO Cc1noc(CCCN2CC[C@H]3OCC[NH2+][C@@H]3C2)n1 ZINC000568050430 358628563 /nfs/dbraw/zinc/62/85/63/358628563.db2.gz ZDBPZCSIKOIZQI-VXGBXAGGSA-N 1 0 266.345 0.373 10 0 CCAERO Ic1cnnn1[C@H]1CCC[NH2+]C1 ZINC000575523675 359043891 /nfs/dbraw/zinc/04/38/91/359043891.db2.gz MSGQGSLUUQBRCU-LURJTMIESA-N 1 0 278.097 0.807 10 0 CCAERO O[C@@H](CNc1ccccc1)C[N@@H+]1CCC[C@@H](O)C1 ZINC000584620947 359182368 /nfs/dbraw/zinc/18/23/68/359182368.db2.gz WVNWDSPDXPIESF-KGLIPLIRSA-N 1 0 250.342 0.916 10 0 CCAERO CCCS(=O)(=O)CCN1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261541074 283420625 /nfs/dbraw/zinc/42/06/25/283420625.db2.gz JFUROTUHISNUGU-RYUDHWBXSA-N 1 0 262.419 0.870 10 0 CCAERO C[C@H]1NC(=O)CC[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000440965752 291184998 /nfs/dbraw/zinc/18/49/98/291184998.db2.gz HVNZPELGDCSMSF-NXEZZACHSA-N 1 0 274.386 0.068 10 0 CCAERO CC(C)OC[C@H](O)C[N@H+](C)C[C@@H]1CN(C)CCO1 ZINC000591910922 359689981 /nfs/dbraw/zinc/68/99/81/359689981.db2.gz KNHDCIUFRCEMPB-OLZOCXBDSA-N 1 0 260.378 0.035 10 0 CCAERO COC(=O)C1CCC(NC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000592134118 359762347 /nfs/dbraw/zinc/76/23/47/359762347.db2.gz GMKSEYCIDTXRCI-YVNMAJEFSA-N 1 0 254.330 0.444 10 0 CCAERO CO[C@@H]1COC[C@H]1n1cc(C[NH2+][C@@H]2CCO[C@@H](C)C2)nn1 ZINC000329438317 202336432 /nfs/dbraw/zinc/33/64/32/202336432.db2.gz APDJMFOPMKJIHO-OIMNJJJWSA-N 1 0 296.371 0.522 10 0 CCAERO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cnn4ccncc34)[C@@H]2C1 ZINC000329488513 202358569 /nfs/dbraw/zinc/35/85/69/202358569.db2.gz HBYPNDWRCQYYKL-SMDDNHRTSA-N 1 0 285.351 0.896 10 0 CCAERO COC(=O)C[C@@H]1CN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CCO1 ZINC000592559955 359889071 /nfs/dbraw/zinc/88/90/71/359889071.db2.gz PLGIGUYRQPBGMV-TUAOUCFPSA-N 1 0 284.356 0.152 10 0 CCAERO [NH3+]C[C@H]1CCCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000044559417 283500157 /nfs/dbraw/zinc/50/01/57/283500157.db2.gz XMZBEGBGXIUIDH-SNVBAGLBSA-N 1 0 279.365 0.949 10 0 CCAERO COC(=O)CCCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000593901926 360201487 /nfs/dbraw/zinc/20/14/87/360201487.db2.gz JIUGJURGVWELQU-HTQZYQBOSA-N 1 0 282.262 0.454 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(=O)n(C)n1 ZINC000177006508 189019890 /nfs/dbraw/zinc/01/98/90/189019890.db2.gz JQKNSLSSRMUGFO-LLVKDONJSA-N 1 0 278.356 0.337 10 0 CCAERO Cc1nn(C)c(C)c1OCC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177102008 189028388 /nfs/dbraw/zinc/02/83/88/189028388.db2.gz KOBMAYBQWDTREL-ZDUSSCGKSA-N 1 0 292.383 0.722 10 0 CCAERO COC(=O)[C@@H]1CCCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000594452842 360316379 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0.638 10 0 CCAERO COC(=O)c1cc(CN(C)C(=O)[C@@H](C)[NH3+])oc1C ZINC000262244188 131204910 /nfs/dbraw/zinc/20/49/10/131204910.db2.gz QWPQDJFKRKRNJQ-SSDOTTSWSA-N 1 0 254.286 0.680 10 0 CCAERO C[S@@](=O)C[C@H](NC(=O)CCC[NH3+])c1ccccc1 ZINC000262454061 131222460 /nfs/dbraw/zinc/22/24/60/131222460.db2.gz GWBJJMAKUGLTMT-KPZWWZAWSA-N 1 0 268.382 0.961 10 0 CCAERO C[C@@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)C(=O)NCc1ccco1 ZINC000262485689 131225329 /nfs/dbraw/zinc/22/53/29/131225329.db2.gz YQEXDQBPPFXWKV-TUAOUCFPSA-N 1 0 293.367 0.789 10 0 CCAERO O=C(NCCc1nc2cc(F)ccc2[nH]1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262553388 131232705 /nfs/dbraw/zinc/23/27/05/131232705.db2.gz UIRWQONKBHKEDV-CABZTGNLSA-N 1 0 292.314 0.084 10 0 CCAERO C[S@@](=O)c1cccc(NC(=O)[C@@H]2C[NH2+]CCO2)c1 ZINC000262641790 131245428 /nfs/dbraw/zinc/24/54/28/131245428.db2.gz ZTXKRUVMSURPHM-BBATYDOGSA-N 1 0 268.338 0.351 10 0 CCAERO c1cnn(-c2cncc(N3CC[C@]4(CC[NH2+]C4)C3)n2)c1 ZINC000333928667 285556406 /nfs/dbraw/zinc/55/64/06/285556406.db2.gz XPAHHACVUQTHSS-AWEZNQCLSA-N 1 0 270.340 0.852 10 0 CCAERO C[NH2+]C[C@H](O)CN1c2ccccc2O[C@@H](C)C1=O ZINC000036928463 134827589 /nfs/dbraw/zinc/82/75/89/134827589.db2.gz RBXPPNGCWSJNHW-UWVGGRQHSA-N 1 0 250.298 0.381 10 0 CCAERO C[C@@H]([NH2+]C1CC(CO)C1)c1cccc(S(N)(=O)=O)c1 ZINC000658357781 413119888 /nfs/dbraw/zinc/11/98/88/413119888.db2.gz WQIZQIOMOXNSEL-GRZMOONWSA-N 1 0 284.381 0.756 10 0 CCAERO C[C@H]([NH3+])CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000037607249 397381372 /nfs/dbraw/zinc/38/13/72/397381372.db2.gz VITFFHGTHIKUCH-ZETCQYMHSA-N 1 0 257.315 0.010 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cc(F)cc2nccnc21 ZINC000262072731 143935260 /nfs/dbraw/zinc/93/52/60/143935260.db2.gz BULLSRCQKMPQAE-QPUJVOFHSA-N 1 0 290.298 0.079 10 0 CCAERO O=C(COc1ccc(F)cc1F)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262109369 143938590 /nfs/dbraw/zinc/93/85/90/143938590.db2.gz FHEUMFUREXIXEN-KCJUWKMLSA-N 1 0 286.278 0.040 10 0 CCAERO C[C@H]1[N@H+](Cc2ccccc2)CC[C@]12NCC(=O)NC2=O ZINC000307536588 397447907 /nfs/dbraw/zinc/44/79/07/397447907.db2.gz LHMIQYXUTNCDCX-ABAIWWIYSA-N 1 0 273.336 0.266 10 0 CCAERO COCCN(CC(=O)N(C)C)C(=O)C1CCC([NH3+])CC1 ZINC000037811696 397387254 /nfs/dbraw/zinc/38/72/54/397387254.db2.gz CZYWYLIMLIEZMU-UHFFFAOYSA-N 1 0 285.388 0.067 10 0 CCAERO CNC(=O)[C@@H]1CCCN1C(=O)C1CCC([NH3+])CC1 ZINC000037826743 397388818 /nfs/dbraw/zinc/38/88/18/397388818.db2.gz GGIXHDHCETWHFY-ILDUYXDCSA-N 1 0 253.346 0.241 10 0 CCAERO NS(=O)(=O)c1cccc(NC(=O)CC[C@H]2CCC[NH2+]2)c1 ZINC000383758670 397492707 /nfs/dbraw/zinc/49/27/07/397492707.db2.gz KGDYZDVRDCLVNO-SNVBAGLBSA-N 1 0 297.380 0.805 10 0 CCAERO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1=NNC(=O)CC1 ZINC000370241244 144294888 /nfs/dbraw/zinc/29/48/88/144294888.db2.gz BXEPUBXNLZIVOZ-MNOVXSKESA-N 1 0 278.356 0.338 10 0 CCAERO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(CCO)C2)CCO1 ZINC000384427474 397495414 /nfs/dbraw/zinc/49/54/14/397495414.db2.gz DMUYLNGXYWGFLG-MGPQQGTHSA-N 1 0 256.390 0.990 10 0 CCAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(CCO)C2)C[C@H](C)O1 ZINC000384302397 397495564 /nfs/dbraw/zinc/49/55/64/397495564.db2.gz CGPJNFXFXSZCJI-CRWXNKLISA-N 1 0 256.390 0.989 10 0 CCAERO CCN(C)C(=O)[C@H](C)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000381350659 397486654 /nfs/dbraw/zinc/48/66/54/397486654.db2.gz MONFMDLZEOVDGS-WDEREUQCSA-N 1 0 255.362 0.502 10 0 CCAERO CO[C@@]1(C(F)(F)F)CCN(C(=O)C2C[NH2+]C2)C1 ZINC000409432322 397524193 /nfs/dbraw/zinc/52/41/93/397524193.db2.gz LCOUTIXURMVPCL-VIFPVBQESA-N 1 0 252.236 0.386 10 0 CCAERO Cc1ccc(S(=O)(=O)N2CCC[C@@H]([NH3+])C2)nc1 ZINC000095069026 292174186 /nfs/dbraw/zinc/17/41/86/292174186.db2.gz RBHQJXBKIQABPX-SNVBAGLBSA-N 1 0 255.343 0.502 10 0 CCAERO CC(C)C[C@@H]([NH3+])CS(=O)(=O)N1CCOCC1 ZINC000757153113 581682367 /nfs/dbraw/zinc/68/23/67/581682367.db2.gz NGDXJXZUHZHQIG-SNVBAGLBSA-N 1 0 250.364 0.022 10 0 CCAERO O=C([C@@H]1CNC(=O)C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000171042191 304368987 /nfs/dbraw/zinc/36/89/87/304368987.db2.gz ICQPPUZAIVFIJI-QWHCGFSZSA-N 1 0 279.384 0.599 10 0 CCAERO COCCC[C@@H](C)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000181937902 292376816 /nfs/dbraw/zinc/37/68/16/292376816.db2.gz FKXIYCVOXJZTRE-OLZOCXBDSA-N 1 0 272.389 0.838 10 0 CCAERO COC[C@H](NC(=O)[C@]1(COC)CCC[NH2+]1)C(C)C ZINC000659278634 413369688 /nfs/dbraw/zinc/36/96/88/413369688.db2.gz BZWFGZCSKLMUBI-WCQYABFASA-N 1 0 258.362 0.542 10 0 CCAERO CC(C)(C)n1nnc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000659305709 413393616 /nfs/dbraw/zinc/39/36/16/413393616.db2.gz KPHCFHMIDUWTQL-LPEHRKFASA-N 1 0 278.360 0.237 10 0 CCAERO COC[C@]1(C(=O)N2CCO[C@@H](C)[C@@H]2C)CCC[NH2+]1 ZINC000659308962 413397354 /nfs/dbraw/zinc/39/73/54/413397354.db2.gz XPFDZPZBGJKZDC-GVXVVHGQSA-N 1 0 256.346 0.391 10 0 CCAERO C[C@@H](CNC(=O)[C@H]1COCCN1)C[NH+]1CCCCC1 ZINC000088371246 286874136 /nfs/dbraw/zinc/87/41/36/286874136.db2.gz PJRYWNKZUQGZPC-QWHCGFSZSA-N 1 0 269.389 0.213 10 0 CCAERO COC[C@H](CCNC(=O)[C@H]1CCC[C@@H]1C[NH3+])OC ZINC000659334622 413427356 /nfs/dbraw/zinc/42/73/56/413427356.db2.gz CIRKVUBISDFYBF-WOPDTQHZSA-N 1 0 258.362 0.529 10 0 CCAERO COC[C@H](CCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)OC ZINC000659335419 413427653 /nfs/dbraw/zinc/42/76/53/413427653.db2.gz IANXHDDZKQNLPJ-TUAOUCFPSA-N 1 0 258.362 0.672 10 0 CCAERO [NH3+]CC1(C(=O)NCC[C@@H]2CCCO2)CCOCC1 ZINC000044764380 411633667 /nfs/dbraw/zinc/63/36/67/411633667.db2.gz YOBCYNNELOKBQT-NSHDSACASA-N 1 0 256.346 0.427 10 0 CCAERO CC(C)C[C@H](C)N(C)C(=O)Cn1cc(C[NH3+])nn1 ZINC000123051467 411710034 /nfs/dbraw/zinc/71/00/34/411710034.db2.gz DSUPQWKIIVKDRK-JTQLQIEISA-N 1 0 253.350 0.630 10 0 CCAERO CNC(=O)Cc1ccc(NC(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000062113733 411688352 /nfs/dbraw/zinc/68/83/52/411688352.db2.gz AAUXIWRHXZQBKN-LLVKDONJSA-N 1 0 261.325 0.523 10 0 CCAERO C[C@H](NC(=O)[C@@H]1CC[NH2+]C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000062113111 411688503 /nfs/dbraw/zinc/68/85/03/411688503.db2.gz WLSLKQGWNWUAMF-WCBMZHEXSA-N 1 0 274.324 0.643 10 0 CCAERO CC(C)([NH3+])c1cn(Cc2cccc(C(N)=O)c2)nn1 ZINC000070118894 411690004 /nfs/dbraw/zinc/69/00/04/411690004.db2.gz KEMNTHCSDVXSDP-UHFFFAOYSA-N 1 0 259.313 0.619 10 0 CCAERO CC(=O)N[C@H]1CCCN(C(=O)c2ccccc2CC[NH3+])C1 ZINC000070552298 411692272 /nfs/dbraw/zinc/69/22/72/411692272.db2.gz ZTHNPAJJMLHONX-AWEZNQCLSA-N 1 0 289.379 0.929 10 0 CCAERO COC[C@H](C)OC[C@H](O)C[NH2+][C@H]1CCCC[C@H]1O ZINC000300258688 411742642 /nfs/dbraw/zinc/74/26/42/411742642.db2.gz ISARXCSSONRIIT-QNWHQSFQSA-N 1 0 261.362 0.292 10 0 CCAERO COc1cccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@H]2C)c1 ZINC000310769308 411746628 /nfs/dbraw/zinc/74/66/28/411746628.db2.gz MDEJZHIZWQQFBP-SKDRFNHKSA-N 1 0 270.354 0.805 10 0 CCAERO [NH3+][C@@H](C(=O)N1CC[C@H](N2CCOCC2)C1)C1CCC1 ZINC000398953506 411774018 /nfs/dbraw/zinc/77/40/18/411774018.db2.gz GAFSHYCZEWPWPL-QWHCGFSZSA-N 1 0 267.373 0.047 10 0 CCAERO CC(C)(C(=O)N1CCN2CCCC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000129653986 411720842 /nfs/dbraw/zinc/72/08/42/411720842.db2.gz BEETWNQYWKFORL-CQSZACIVSA-N 1 0 294.443 0.367 10 0 CCAERO CC(C)(C(=O)N1CCCC(F)(F)C1)N1CC[NH2+]CC1 ZINC000405177288 411796960 /nfs/dbraw/zinc/79/69/60/411796960.db2.gz CPDHPTWBFFSUKF-UHFFFAOYSA-N 1 0 275.343 0.928 10 0 CCAERO CCO[C@@H]1CN(Cc2c(C)nn(C)c2OC)C[C@H]1C[NH3+] ZINC000405433363 411802061 /nfs/dbraw/zinc/80/20/61/411802061.db2.gz IOLMWQYMWNIQQV-DGCLKSJQSA-N 1 0 282.388 0.533 10 0 CCAERO CC(C)c1ccc(S(=O)(=O)C[C@@H](O)C[NH3+])cc1 ZINC000019685698 170839793 /nfs/dbraw/zinc/83/97/93/170839793.db2.gz AGNIAGCXFHEKHY-NSHDSACASA-N 1 0 257.355 0.903 10 0 CCAERO CO[C@@H]1C[C@@H](CO)[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC000284514784 196074861 /nfs/dbraw/zinc/07/48/61/196074861.db2.gz FHGMJPCKCGZMAT-BFHYXJOUSA-N 1 0 251.326 0.802 10 0 CCAERO C[NH2+]C[C@H](O)Cn1cc(Br)ccc1=O ZINC000019864389 170899250 /nfs/dbraw/zinc/89/92/50/170899250.db2.gz VOCAYSQQGYYGRK-QMMMGPOBSA-N 1 0 261.119 0.191 10 0 CCAERO [NH3+]C[C@H](c1ccc(F)cc1)N1CCN(CCO)CC1 ZINC000020225646 171088135 /nfs/dbraw/zinc/08/81/35/171088135.db2.gz KPGUMFYXUJZROR-CQSZACIVSA-N 1 0 267.348 0.435 10 0 CCAERO CCN(CCO)[C@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000020226405 171091840 /nfs/dbraw/zinc/09/18/40/171091840.db2.gz MNAOHJMYFAXYRS-LLVKDONJSA-N 1 0 252.314 0.729 10 0 CCAERO CC(=O)Nc1cccc(NS(=O)(=O)N2CC[NH2+]CC2)c1 ZINC000020247554 171100671 /nfs/dbraw/zinc/10/06/71/171100671.db2.gz ALULUZKLTIBGQV-UHFFFAOYSA-N 1 0 298.368 0.207 10 0 CCAERO CNC(=O)NC(=O)[C@H](C)[NH2+]CCc1ccc(OC)cc1 ZINC000020302877 171140110 /nfs/dbraw/zinc/14/01/10/171140110.db2.gz QWYJPQVDOISZMX-JTQLQIEISA-N 1 0 279.340 0.671 10 0 CCAERO CNC(=O)NC(=O)[C@@H](C)[NH2+]Cc1ccc(OC)cc1 ZINC000020302884 171140130 /nfs/dbraw/zinc/14/01/30/171140130.db2.gz SHFFJQZYHQKVJW-SECBINFHSA-N 1 0 265.313 0.629 10 0 CCAERO CNC(=O)NC(=O)[C@H](C)[NH2+]CCc1ccccc1F ZINC000020302958 171140653 /nfs/dbraw/zinc/14/06/53/171140653.db2.gz LVTSASRPWBBOLA-VIFPVBQESA-N 1 0 267.304 0.802 10 0 CCAERO Cn1cccc1C[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000020359246 171158091 /nfs/dbraw/zinc/15/80/91/171158091.db2.gz LUMRFLAPIPEIMY-UHFFFAOYSA-N 1 0 279.365 0.962 10 0 CCAERO CCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CN2CCC1CC2 ZINC000020366050 171164554 /nfs/dbraw/zinc/16/45/54/171164554.db2.gz RGJGDHPFHKNWOQ-DGCLKSJQSA-N 1 0 253.390 0.975 10 0 CCAERO C[N@H+](CCCNC(=S)NN)Cc1ccccc1 ZINC000020426716 171192709 /nfs/dbraw/zinc/19/27/09/171192709.db2.gz CLUSPZCGYUTVRB-UHFFFAOYSA-N 1 0 252.387 0.846 10 0 CCAERO COC(=O)CNS(=O)(=O)c1cccc([C@@H](C)[NH3+])c1 ZINC000021813179 171330515 /nfs/dbraw/zinc/33/05/15/171330515.db2.gz JYRAEZRYUAVJTF-MRVPVSSYSA-N 1 0 272.326 0.158 10 0 CCAERO COc1coc(CN2CCO[C@H]3CC[N@H+](C)C[C@H]32)cc1=O ZINC000284774340 196128533 /nfs/dbraw/zinc/12/85/33/196128533.db2.gz HKWUEJSATKORBP-OCCSQVGLSA-N 1 0 294.351 0.553 10 0 CCAERO C[C@H](C(=O)Nc1ccc(C[NH3+])cc1)N1CCOCC1 ZINC000022153664 171360782 /nfs/dbraw/zinc/36/07/82/171360782.db2.gz BNQRNGFVJRGGAJ-LLVKDONJSA-N 1 0 263.341 0.805 10 0 CCAERO COc1cc(N)ccc1NC(=O)CCN1CC[NH+](C)CC1 ZINC000022154460 171361351 /nfs/dbraw/zinc/36/13/51/171361351.db2.gz ZJKGADJJLVXBKB-UHFFFAOYSA-N 1 0 292.383 0.853 10 0 CCAERO C[C@H](C(=O)Nc1ccccc1C[NH3+])N1CCOCC1 ZINC000022156402 171362354 /nfs/dbraw/zinc/36/23/54/171362354.db2.gz UAGFZFUQGDIHHT-LLVKDONJSA-N 1 0 263.341 0.805 10 0 CCAERO [NH3+]Cc1ccc(OCC(=O)NC2CCC(O)CC2)cc1 ZINC000022209786 171372863 /nfs/dbraw/zinc/37/28/63/171372863.db2.gz ZDRGIKVOKNPQQJ-UHFFFAOYSA-N 1 0 278.352 0.944 10 0 CCAERO C[C@H](C(=O)Nc1ccccc1C[NH3+])N1CCC(O)CC1 ZINC000022218622 171376607 /nfs/dbraw/zinc/37/66/07/171376607.db2.gz BEAPQYMOWXWBNI-LLVKDONJSA-N 1 0 277.368 0.929 10 0 CCAERO Cn1ccnc1CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653116421 412226002 /nfs/dbraw/zinc/22/60/02/412226002.db2.gz GKTQPZBAUBFOKP-HTQZYQBOSA-N 1 0 276.262 0.434 10 0 CCAERO C[C@H](Cn1cccn1)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653125544 412231206 /nfs/dbraw/zinc/23/12/06/412231206.db2.gz DNPYIBCASROVAG-OPRDCNLKSA-N 1 0 290.289 0.786 10 0 CCAERO Cc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c(O)c1 ZINC000653138529 412238178 /nfs/dbraw/zinc/23/81/78/412238178.db2.gz AGVNUBULTHMZNK-BXKDBHETSA-N 1 0 250.298 0.011 10 0 CCAERO COc1ccc(C[NH2+][C@H](C)C(=O)NC(N)=O)cc1OC ZINC000035138282 172005860 /nfs/dbraw/zinc/00/58/60/172005860.db2.gz CNXGAEOLMWSKFX-MRVPVSSYSA-N 1 0 281.312 0.377 10 0 CCAERO [NH3+]C[C@@H](c1ccc(F)cc1)N1CCS(=O)(=O)CC1 ZINC000036160580 172479597 /nfs/dbraw/zinc/47/95/97/172479597.db2.gz PGDJMRZOHKLJNU-LBPRGKRZSA-N 1 0 272.345 0.556 10 0 CCAERO CO[C@H]1C[NH2+]C[C@@H]1NS(=O)(=O)c1cccc(Cl)c1 ZINC000036265044 172559645 /nfs/dbraw/zinc/55/96/45/172559645.db2.gz RAWCVIJLCQRPAH-QWRGUYRKSA-N 1 0 290.772 0.605 10 0 CCAERO CCC[NH2+][C@@H]1CCN(C2CCS(=O)(=O)CC2)C1 ZINC000036332133 172616544 /nfs/dbraw/zinc/61/65/44/172616544.db2.gz RULLYTAKARVKLP-LLVKDONJSA-N 1 0 260.403 0.638 10 0 CCAERO C[N@@H+]1CC[C@H]2OCCN(C(=O)COc3cccnc3)[C@H]2C1 ZINC000285655267 196356370 /nfs/dbraw/zinc/35/63/70/196356370.db2.gz GCWDUXRRHCTSJM-UONOGXRCSA-N 1 0 291.351 0.392 10 0 CCAERO Cc1cccc(N(CCC[NH3+])CC(=O)NC(N)=O)c1 ZINC000037297773 173101188 /nfs/dbraw/zinc/10/11/88/173101188.db2.gz JDJHGKQJJMHUDL-UHFFFAOYSA-N 1 0 264.329 0.345 10 0 CCAERO CCN(Cc1cc(=O)c(O)co1)C1CC[NH2+]CC1 ZINC000037538036 173257925 /nfs/dbraw/zinc/25/79/25/173257925.db2.gz MGMJQPBVGMUHED-UHFFFAOYSA-N 1 0 252.314 0.919 10 0 CCAERO COc1ccc(OC[C@@H](C)C(N)=O)c(CC[NH3+])c1 ZINC000037720087 173638201 /nfs/dbraw/zinc/63/82/01/173638201.db2.gz MKYVCKAEHUSHSJ-SECBINFHSA-N 1 0 252.314 0.697 10 0 CCAERO CC(C)Cc1nc(CN(C)CC(=O)N2CC[NH2+]CC2)no1 ZINC000038031406 174025675 /nfs/dbraw/zinc/02/56/75/174025675.db2.gz WMDXJQGEJTUHAF-UHFFFAOYSA-N 1 0 295.387 0.132 10 0 CCAERO COc1nc2sccn2c1C[NH2+]C[C@H]1COCCO1 ZINC000038054790 174066280 /nfs/dbraw/zinc/06/62/80/174066280.db2.gz RKOCOZSHYKGNDK-VIFPVBQESA-N 1 0 283.353 0.909 10 0 CCAERO O=S1(=O)CC[C@@H](C[NH2+]CCc2ccncc2)C1 ZINC000038083954 174093446 /nfs/dbraw/zinc/09/34/46/174093446.db2.gz XKNHLPSWJBPBRE-LBPRGKRZSA-N 1 0 254.355 0.648 10 0 CCAERO [NH3+]CCc1ccc(O[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000038084354 174094452 /nfs/dbraw/zinc/09/44/52/174094452.db2.gz KKDRXBSBKRGULR-GFCCVEGCSA-N 1 0 255.339 0.754 10 0 CCAERO CCS(=O)(=O)CCOc1ccccc1C(N)=[NH2+] ZINC000038085832 174096986 /nfs/dbraw/zinc/09/69/86/174096986.db2.gz ATMFZPUVFWCARK-UHFFFAOYSA-N 1 0 256.327 0.784 10 0 CCAERO CCN1C(=O)C[C@H]([NH2+][C@@H](C)Cc2ccco2)C1=O ZINC000038092323 174106134 /nfs/dbraw/zinc/10/61/34/174106134.db2.gz ZBAGBQOUSOQQJQ-ONGXEEELSA-N 1 0 250.298 0.948 10 0 CCAERO CCN1CCC([NH2+]C2CCN(C(N)=O)CC2)CC1 ZINC000038098186 174113645 /nfs/dbraw/zinc/11/36/45/174113645.db2.gz VGNMBFILDUAVGG-UHFFFAOYSA-N 1 0 254.378 0.603 10 0 CCAERO CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CSCN2)CC1 ZINC000038100739 174115550 /nfs/dbraw/zinc/11/55/50/174115550.db2.gz OVSKGIKHMXDBNP-LBPRGKRZSA-N 1 0 271.430 0.982 10 0 CCAERO COCCN(CCOC)c1nc[nH+]c(NN(C)C)c1N ZINC000040751954 174395600 /nfs/dbraw/zinc/39/56/00/174395600.db2.gz UKDFFYMXQZDEKH-UHFFFAOYSA-N 1 0 284.364 0.047 10 0 CCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1nn(C)cc1Br ZINC000662779594 414787530 /nfs/dbraw/zinc/78/75/30/414787530.db2.gz TULCUJWZZCNLTD-HTRCEHHLSA-N 1 0 287.161 0.744 10 0 CCAERO CN1C[C@@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)CC1=O ZINC000662692824 414742157 /nfs/dbraw/zinc/74/21/57/414742157.db2.gz GSBSPSXMVZEPBN-MNOVXSKESA-N 1 0 253.346 0.113 10 0 CCAERO CN1CCN(C(=O)CC[C@H]2CCC[NH2+]2)CCC1=O ZINC000662695958 414742389 /nfs/dbraw/zinc/74/23/89/414742389.db2.gz RCPDHUAKVUPPIZ-LLVKDONJSA-N 1 0 253.346 0.209 10 0 CCAERO Cc1cc(C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)on1 ZINC000662975760 414929216 /nfs/dbraw/zinc/92/92/16/414929216.db2.gz BXHGZEUPLJSRSS-SSDOTTSWSA-N 1 0 251.208 0.945 10 0 CCAERO CN(C(=O)[C@@H]1CC(=O)N(C2CC2)C1)[C@@H](C[NH3+])C(F)(F)F ZINC000662976292 414930590 /nfs/dbraw/zinc/93/05/90/414930590.db2.gz FJGBSOWAZGTOHD-APPZFPTMSA-N 1 0 293.289 0.345 10 0 CCAERO C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662975719 414930762 /nfs/dbraw/zinc/93/07/62/414930762.db2.gz BBMMBTAHFOVYEK-YUMQZZPRSA-N 1 0 297.321 0.885 10 0 CCAERO CN(C(=O)c1ccn(C)c(=O)c1)[C@@H](C[NH3+])C(F)(F)F ZINC000662978782 414932381 /nfs/dbraw/zinc/93/23/81/414932381.db2.gz SCBMIJCZWSGVQX-QMMMGPOBSA-N 1 0 277.246 0.347 10 0 CCAERO Cc1cc(C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)n(C)n1 ZINC000662978615 414932545 /nfs/dbraw/zinc/93/25/45/414932545.db2.gz HMXASAPCTCCXKE-QMMMGPOBSA-N 1 0 264.251 0.690 10 0 CCAERO C[C@H](C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)n1cncn1 ZINC000662982879 414933886 /nfs/dbraw/zinc/93/38/86/414933886.db2.gz GIFYOUBFSZCUBR-RQJHMYQMSA-N 1 0 265.239 0.187 10 0 CCAERO CN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@H](C[NH3+])C(F)(F)F ZINC000662988089 414937806 /nfs/dbraw/zinc/93/78/06/414937806.db2.gz OWDOWWPJMVHFFH-CWKFCGSDSA-N 1 0 252.236 0.227 10 0 CCAERO CC[C@]1(C(=O)NC[C@H]2CC(=O)N(C)C2)CCC[NH2+]1 ZINC000662887349 414871169 /nfs/dbraw/zinc/87/11/69/414871169.db2.gz XNPJPQXZUOVTSF-ZWNOBZJWSA-N 1 0 253.346 0.113 10 0 CCAERO CN(C1CCOCC1)C1(C[NH3+])CCS(=O)(=O)CC1 ZINC000042332347 174687856 /nfs/dbraw/zinc/68/78/56/174687856.db2.gz QIEWSTXTUWYFHN-UHFFFAOYSA-N 1 0 276.402 0.003 10 0 CCAERO CN(Cc1cccnc1)C1(C[NH3+])CCS(=O)(=O)CC1 ZINC000042332309 174687997 /nfs/dbraw/zinc/68/79/97/174687997.db2.gz ZNKUVNGAZPEZJU-UHFFFAOYSA-N 1 0 283.397 0.420 10 0 CCAERO [NH3+]Cc1ccc(OCC(=O)NCc2cn[nH]c2)cc1 ZINC000042356423 174694677 /nfs/dbraw/zinc/69/46/77/174694677.db2.gz JLGYPYTXNSLTJJ-UHFFFAOYSA-N 1 0 260.297 0.564 10 0 CCAERO Cc1occc1CN(C)S(=O)(=O)N(C)CCC[NH3+] ZINC000042533509 174781964 /nfs/dbraw/zinc/78/19/64/174781964.db2.gz OINIXQUCKIWRSH-UHFFFAOYSA-N 1 0 275.374 0.545 10 0 CCAERO C[NH2+]Cc1cc2c(cc1OCCC(N)=O)OCO2 ZINC000042874301 174899022 /nfs/dbraw/zinc/89/90/22/174899022.db2.gz XCPHBEWGOFWDOA-UHFFFAOYSA-N 1 0 252.270 0.389 10 0 CCAERO [NH3+][C@H]1CCCC[C@H]1NS(=O)(=O)c1cncc(F)c1 ZINC000044262006 175157200 /nfs/dbraw/zinc/15/72/00/175157200.db2.gz AULNJDYONFDRTN-WDEREUQCSA-N 1 0 273.333 0.769 10 0 CCAERO CCCN1CCN(S(=O)(=O)C[C@H]2CCC[NH2+]C2)CC1 ZINC000044390136 175170454 /nfs/dbraw/zinc/17/04/54/175170454.db2.gz PEZVIUNHXGPBTM-ZDUSSCGKSA-N 1 0 289.445 0.343 10 0 CCAERO CC[NH2+][C@H](CCN(C)C[C@@H]1CC[N@H+](C)C1)C(=O)[O-] ZINC000071191061 176067874 /nfs/dbraw/zinc/06/78/74/176067874.db2.gz JOWFWJJCTVMMGF-VXGBXAGGSA-N 1 0 257.378 0.323 10 0 CCAERO CCCn1c(C[NH3+])nnc1S[C@H](CC)C(N)=O ZINC000071375527 176140855 /nfs/dbraw/zinc/14/08/55/176140855.db2.gz XRFWEJQQCITBDF-SSDOTTSWSA-N 1 0 257.363 0.503 10 0 CCAERO CCOc1ccc(S(=O)(=O)NCC[NH3+])cc1F ZINC000071588533 176216661 /nfs/dbraw/zinc/21/66/61/176216661.db2.gz XBQAJUMUQAYCFY-UHFFFAOYSA-N 1 0 262.306 0.461 10 0 CCAERO O=C(CCCc1ccc2c(c1)CC(=O)N2)N1CC[NH2+]CC1 ZINC000071643830 176239694 /nfs/dbraw/zinc/23/96/94/176239694.db2.gz UFDABVQTSBKVHU-UHFFFAOYSA-N 1 0 287.363 0.936 10 0 CCAERO C[NH2+]CCOCCc1ccc2c(c1)n(C)c(=O)n2C ZINC000076362698 177003003 /nfs/dbraw/zinc/00/30/03/177003003.db2.gz FMURCYOQNAAISN-UHFFFAOYSA-N 1 0 263.341 0.656 10 0 CCAERO Cn1c2cc(CCOC(=O)CC[NH3+])ccc2oc1=O ZINC000076366216 177005025 /nfs/dbraw/zinc/00/50/25/177005025.db2.gz UZACUPYKUSXBAK-UHFFFAOYSA-N 1 0 264.281 0.566 10 0 CCAERO CC[C@@H](C)N(CC[NH3+])S(=O)(=O)c1c(C)n[nH]c1C ZINC000076720904 177069932 /nfs/dbraw/zinc/06/99/32/177069932.db2.gz HLFGIVRABCLGLN-MRVPVSSYSA-N 1 0 274.390 0.774 10 0 CCAERO [NH3+]CCN1CCC(S(=O)(=O)c2ccccc2)CC1 ZINC000077254111 177243515 /nfs/dbraw/zinc/24/35/15/177243515.db2.gz MLFWQTDNSMVMTN-UHFFFAOYSA-N 1 0 268.382 0.883 10 0 CCAERO O=C(NC1CCC2(CC1)C[NH2+]CCO2)[C@@H]1CCOC1 ZINC000725243770 545873140 /nfs/dbraw/zinc/87/31/40/545873140.db2.gz HFUGTKMEIOLGMR-LKSINWNRSA-N 1 0 268.357 0.440 10 0 CCAERO CC(C)S(=O)(=O)N1CCOC2(CCC([NH3+])CC2)C1 ZINC000725243960 545873433 /nfs/dbraw/zinc/87/34/33/545873433.db2.gz LWWPTYNJIBVOEX-UHFFFAOYSA-N 1 0 276.402 0.697 10 0 CCAERO C[C@@H]1C[C@H](n2cc(S(C)(=O)=O)cn2)C[NH2+][C@H]1C ZINC000725251656 545876671 /nfs/dbraw/zinc/87/66/71/545876671.db2.gz CZLCHNDMXHVUMM-UTLUCORTSA-N 1 0 257.359 0.846 10 0 CCAERO CS(=O)(=O)c1cnn(CC[C@H]2CCCC[NH2+]2)c1 ZINC000725251596 545877459 /nfs/dbraw/zinc/87/74/59/545877459.db2.gz CCFXENQVDQVQNA-SNVBAGLBSA-N 1 0 257.359 0.819 10 0 CCAERO Cc1ccc([C@H](C[NH3+])n2cc(S(C)(=O)=O)cn2)o1 ZINC000725251871 545877566 /nfs/dbraw/zinc/87/75/66/545877566.db2.gz HGVUFLRRWHBASS-JTQLQIEISA-N 1 0 269.326 0.736 10 0 CCAERO C[NH2+][C@@H](Cn1cc(S(C)(=O)=O)cn1)C(C)(C)OC ZINC000725252237 545877410 /nfs/dbraw/zinc/87/74/10/545877410.db2.gz LBKGPWDFPPTCAO-JTQLQIEISA-N 1 0 275.374 0.300 10 0 CCAERO Cc1nc(-n2cc(S(C)(=O)=O)cn2)ccc1C[NH3+] ZINC000725253146 545878543 /nfs/dbraw/zinc/87/85/43/545878543.db2.gz QRQBCEOUYYBHSC-UHFFFAOYSA-N 1 0 266.326 0.438 10 0 CCAERO CCC[NH2+][C@H]1CCOC[C@H]1n1cc(S(C)(=O)=O)cn1 ZINC000725253242 545878339 /nfs/dbraw/zinc/87/83/39/545878339.db2.gz SDYKUQGNENVJHQ-NWDGAFQWSA-N 1 0 287.385 0.616 10 0 CCAERO [NH3+][C@H](CNC(=O)NC1CCCC1)C1CCOCC1 ZINC000725255199 545879661 /nfs/dbraw/zinc/87/96/61/545879661.db2.gz WDOYJJPPQBVLLQ-GFCCVEGCSA-N 1 0 255.362 0.982 10 0 CCAERO CC[N@H+](CCO)[C@H]1CC(=O)N[C@H](C(F)(F)F)C1 ZINC000725262997 545883371 /nfs/dbraw/zinc/88/33/71/545883371.db2.gz AAHUJZUPWXSGJT-SFYZADRCSA-N 1 0 254.252 0.510 10 0 CCAERO COCC(=O)N[C@@H]1CC[NH2+]CC[C@@H]1C(F)(F)F ZINC000725262662 545882307 /nfs/dbraw/zinc/88/23/07/545882307.db2.gz JULTZVMMJYODCD-JGVFFNPUSA-N 1 0 254.252 0.680 10 0 CCAERO CC[C@]1([NH3+])CCCN(S(=O)(=O)[C@@H]2CCOC2)C1 ZINC000725264245 545885197 /nfs/dbraw/zinc/88/51/97/545885197.db2.gz RJCTVSXKBMFIPV-MNOVXSKESA-N 1 0 262.375 0.308 10 0 CCAERO O=S1(=O)CC[C@@H]([C@@H](CO)CC[NH2+]C2CCC2)C1 ZINC000725267406 545885661 /nfs/dbraw/zinc/88/56/61/545885661.db2.gz DFOPVTLKIQMXAZ-GHMZBOCLSA-N 1 0 261.387 0.562 10 0 CCAERO [NH3+][C@H]1CCOC12CCN(S(=O)(=O)C1CC1)CC2 ZINC000725269056 545885900 /nfs/dbraw/zinc/88/59/00/545885900.db2.gz CHCBPRIFADWNKF-JTQLQIEISA-N 1 0 260.359 0.061 10 0 CCAERO CCC(C)(C)NC(=O)N1CC(N2C[C@H]([NH3+])CC2=O)C1 ZINC000725272573 545888165 /nfs/dbraw/zinc/88/81/65/545888165.db2.gz QAHPGWNZWUOGTF-SECBINFHSA-N 1 0 268.361 0.128 10 0 CCAERO CC(C)S(=O)(=O)N1CCC2(CC1)C[NH2+]C[C@H](C)O2 ZINC000725271623 545888482 /nfs/dbraw/zinc/88/84/82/545888482.db2.gz IRACDESCAOFBBS-NSHDSACASA-N 1 0 276.402 0.568 10 0 CCAERO CCOC(=O)[C@@H]1CCCN([C@@H]2COC[C@H]2C[NH+](C)C)C1 ZINC000725273848 545889744 /nfs/dbraw/zinc/88/97/44/545889744.db2.gz NBZDUCDJTHPBKE-MGPQQGTHSA-N 1 0 284.400 0.838 10 0 CCAERO CC(=O)N[C@@H]1CCCN(C(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000079517612 544473412 /nfs/dbraw/zinc/47/34/12/544473412.db2.gz ULIGVAPBRVCOLM-YPMHNXCESA-N 1 0 253.346 0.256 10 0 CCAERO C[C@@]1(C(=O)Nc2ccc(CS(N)(=O)=O)cc2)CCC[NH2+]1 ZINC000079515394 544474631 /nfs/dbraw/zinc/47/46/31/544474631.db2.gz PLQDLJATAGYYFD-ZDUSSCGKSA-N 1 0 297.380 0.556 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(CC(N)=O)C1CCCC1 ZINC000094647739 544545530 /nfs/dbraw/zinc/54/55/30/544545530.db2.gz CKZCYKJRNHAYAZ-JQWIXIFHSA-N 1 0 267.373 0.631 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NCc2ccc(S(N)(=O)=O)o2)C1 ZINC000088539313 544509359 /nfs/dbraw/zinc/50/93/59/544509359.db2.gz MSZDMFZPSOOTLA-SNVBAGLBSA-N 1 0 287.385 0.501 10 0 CCAERO C[C@H](CN1CCOCC1)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089451693 544512872 /nfs/dbraw/zinc/51/28/72/544512872.db2.gz PZUKFHATROOLNG-JHJVBQTASA-N 1 0 269.389 0.198 10 0 CCAERO C[C@H](CN1CCCC1=O)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089454981 544512929 /nfs/dbraw/zinc/51/29/29/544512929.db2.gz PEVJINIPBQVGSN-IJLUTSLNSA-N 1 0 267.373 0.489 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000089462264 544514055 /nfs/dbraw/zinc/51/40/55/544514055.db2.gz VHAURKOEOVBXDR-IHRRRGAJSA-N 1 0 281.400 0.295 10 0 CCAERO CC1(OCC(=O)N2CCO[C@H]3CCCC[C@H]32)C[NH2+]C1 ZINC000098061137 544555233 /nfs/dbraw/zinc/55/52/33/544555233.db2.gz KUDZFVFGPBJABL-NEPJUHHUSA-N 1 0 268.357 0.535 10 0 CCAERO C[NH2+]CCOCCNc1ccc(C(=O)N(C)C)cn1 ZINC000630530679 419461393 /nfs/dbraw/zinc/46/13/93/419461393.db2.gz OQIBITGZSGYFAL-UHFFFAOYSA-N 1 0 266.345 0.431 10 0 CCAERO CCc1nn(C)cc1C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000124027642 544585960 /nfs/dbraw/zinc/58/59/60/544585960.db2.gz ZKMNMNROGCNRCO-GFCCVEGCSA-N 1 0 252.362 0.403 10 0 CCAERO CN1CCO[C@@H](CNS(=O)(=O)c2ccccc2[O-])C1 ZINC000128011308 544610089 /nfs/dbraw/zinc/61/00/89/544610089.db2.gz UNXQZFKZJXKNOG-JTQLQIEISA-N 1 0 286.353 0.001 10 0 CCAERO C[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000149443645 544648379 /nfs/dbraw/zinc/64/83/79/544648379.db2.gz GGFLIUBQBCFGIC-APPZFPTMSA-N 1 0 260.315 0.194 10 0 CCAERO CC(=O)N[C@H](C(=O)N[C@H]1CCC[C@@H]1C[NH3+])C(C)C ZINC000157839373 544686264 /nfs/dbraw/zinc/68/62/64/544686264.db2.gz ORNRPPGWGZBAIK-WOPDTQHZSA-N 1 0 255.362 0.391 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)NCCCN1CCOCC1 ZINC000136310355 544637339 /nfs/dbraw/zinc/63/73/39/544637339.db2.gz RMDHSBBTHMTJBA-GFCCVEGCSA-N 1 0 257.378 0.198 10 0 CCAERO CC(C)(CNC(=O)[C@@]1(C)CCCC[NH2+]1)S(C)(=O)=O ZINC000136184053 544637612 /nfs/dbraw/zinc/63/76/12/544637612.db2.gz QKAWJSUWTFCGPI-GFCCVEGCSA-N 1 0 276.402 0.458 10 0 CCAERO CCN1CCO[C@H](C[NH2+]Cc2cn(C)nc2C)C1 ZINC000160147229 544696277 /nfs/dbraw/zinc/69/62/77/544696277.db2.gz 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CCCn1nc(C)c(CNC[C@H]2C[NH2+]C[C@@H]2O)c1C ZINC000263204776 535624137 /nfs/dbraw/zinc/62/41/37/535624137.db2.gz JOYGBHGQNUQVAN-JSGCOSHPSA-N 1 0 266.389 0.580 10 0 CCAERO Cc1c(C[NH2+]CCCN2CCCS2(=O)=O)cnn1C ZINC000677321288 545363624 /nfs/dbraw/zinc/36/36/24/545363624.db2.gz UFAFWROMIFAQOH-UHFFFAOYSA-N 1 0 286.401 0.244 10 0 CCAERO CCc1ocnc1-c1nc([C@@H]2C[NH2+]CCN2C)no1 ZINC000263219432 535930820 /nfs/dbraw/zinc/93/08/20/535930820.db2.gz LPQSJZLGXGDIBL-QMMMGPOBSA-N 1 0 263.301 0.863 10 0 CCAERO CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)C2C[NH2+]C2)C1 ZINC000263226517 535982141 /nfs/dbraw/zinc/98/21/41/535982141.db2.gz AEFMCCGHBXYNOP-RLFDGXBXSA-N 1 0 258.387 0.402 10 0 CCAERO COC(=O)C[C@H]1CCCN1C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262352183 536349615 /nfs/dbraw/zinc/34/96/15/536349615.db2.gz ITBVIVAXGIKSLD-SDDRHHMPSA-N 1 0 268.357 0.929 10 0 CCAERO C[NH2+][C@H](C)CNC(=O)Cn1ncc(=O)c2ccccc21 ZINC000261615436 536393028 /nfs/dbraw/zinc/39/30/28/536393028.db2.gz ASYDNRWLABAGFH-SNVBAGLBSA-N 1 0 274.324 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0 291.355 0.979 10 0 CCAERO COc1cccc([C@@H](O)C(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000163126152 623179082 /nfs/dbraw/zinc/17/90/82/623179082.db2.gz POSPYJTUTQQBJY-TZMCWYRMSA-N 1 0 278.352 0.891 10 0 CCAERO O=C(NC[C@H](O)C(F)(F)F)[C@H]1C[NH2+]Cc2ccccc21 ZINC000236538072 623531199 /nfs/dbraw/zinc/53/11/99/623531199.db2.gz BZHOKYOPJVYJAI-QWRGUYRKSA-N 1 0 288.269 0.913 10 0 CCAERO COC1CC([NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000234687840 625014242 /nfs/dbraw/zinc/01/42/42/625014242.db2.gz KBIGPHCHAUEDDF-ORHYLEIMSA-N 1 0 299.392 0.891 10 0 CCAERO CC(C)(CO)[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000093696311 630798554 /nfs/dbraw/zinc/79/85/54/630798554.db2.gz BRNRHFJYHQZHTL-JTQLQIEISA-N 1 0 264.391 0.019 10 0 CCAERO COC(=O)N[C@@H](C(=O)N1CC[C@H](C[NH3+])C1)C(C)C ZINC000178520353 631060639 /nfs/dbraw/zinc/06/06/39/631060639.db2.gz FZNDSQKGZBMTKW-NXEZZACHSA-N 1 0 257.334 0.174 10 0 CCAERO COC(=O)[C@H]1C[N@H+](Cc2cc(C)nn2C)C[C@H]1C ZINC000250882082 631386030 /nfs/dbraw/zinc/38/60/30/631386030.db2.gz VWWBHWWZZVLWPF-SKDRFNHKSA-N 1 0 251.330 0.969 10 0 CCAERO COC(=O)N[C@@H](C(=O)NCC[C@H]1CC[NH2+]C1)C(C)C ZINC000178940013 631904594 /nfs/dbraw/zinc/90/45/94/631904594.db2.gz NAQHJLPCAUVZNV-GHMZBOCLSA-N 1 0 271.361 0.483 10 0 CCAERO C[C@@H](CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)C(C)(C)C ZINC000148590501 633106666 /nfs/dbraw/zinc/10/66/66/633106666.db2.gz FNFWHDQMKBPWMP-VHSXEESVSA-N 1 0 278.418 0.547 10 0 CCAERO C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)c1cc(=O)[nH][nH]1 ZINC000898870244 633678819 /nfs/dbraw/zinc/67/88/19/633678819.db2.gz SSPDCXXLNSXHPI-PSASIEDQSA-N 1 0 252.318 0.777 10 0 CCAERO C[C@@H](C(=O)N1CC[C@@H](n2cc(C3CC3)nn2)C1)[NH+](C)C ZINC000899090826 633733446 /nfs/dbraw/zinc/73/34/46/633733446.db2.gz POBPLMHNJINANS-CMPLNLGQSA-N 1 0 277.372 0.879 10 0 CCAERO C[C@@H]1CN(C(=O)c2ccnn2CC[NH+](C)C)C[C@@H](C)O1 ZINC000899903818 633921431 /nfs/dbraw/zinc/92/14/31/633921431.db2.gz CERJYRJUKNYQQG-VXGBXAGGSA-N 1 0 280.372 0.694 10 0 CCAERO [NH3+][C@H](C(=O)NC[C@@H](O)C(F)(F)F)c1ccccc1 ZINC000225391204 636947116 /nfs/dbraw/zinc/94/71/16/636947116.db2.gz VEMWZZCDTWOUBN-BDAKNGLRSA-N 1 0 262.231 0.726 10 0 CCAERO Cc1n[nH]c(C)c1S(=O)(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000226092505 636962947 /nfs/dbraw/zinc/96/29/47/636962947.db2.gz CMBGRFQGLQQKFC-KCJUWKMLSA-N 1 0 286.401 0.597 10 0 CCAERO C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000226435811 636984878 /nfs/dbraw/zinc/98/48/78/636984878.db2.gz DZNSZCKTDGPLSZ-LEWSCRJBSA-N 1 0 299.392 0.891 10 0 CCAERO [NH3+][C@@H](CO)C(=O)NCc1ccc(Cl)cc1Cl ZINC000169812103 637061096 /nfs/dbraw/zinc/06/10/96/637061096.db2.gz QHTKCBZOCBMYRX-VIFPVBQESA-N 1 0 263.124 0.929 10 0 CCAERO O=C(CC[C@H]1CC[NH2+]C1)NC[C@H](O)C(F)(F)F ZINC000230172925 637156507 /nfs/dbraw/zinc/15/65/07/637156507.db2.gz IXPBRPADMKCVMY-YUMQZZPRSA-N 1 0 254.252 0.416 10 0 CCAERO Cc1nc(N)sc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000062971905 637189542 /nfs/dbraw/zinc/18/95/42/637189542.db2.gz SBZRMWKXRFPAFN-QMMMGPOBSA-N 1 0 254.359 0.810 10 0 CCAERO CCCOC(=O)[C@H](C)N1CC[NH+](C[C@@H](O)CC)CC1 ZINC000174075085 637241082 /nfs/dbraw/zinc/24/10/82/637241082.db2.gz JBUJRDIFXFIVEM-STQMWFEESA-N 1 0 272.389 0.717 10 0 CCAERO CC[C@@H]1CC(=O)N(CN2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000245857250 637623138 /nfs/dbraw/zinc/62/31/38/637623138.db2.gz GMYLBUGOKQEZGV-OLZOCXBDSA-N 1 0 251.374 0.982 10 0 CCAERO CCNC(=O)CN(CC)C(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089390921 637646212 /nfs/dbraw/zinc/64/62/12/637646212.db2.gz VQTXVBOVTIWDFN-VXGBXAGGSA-N 1 0 269.389 0.736 10 0 CCAERO CCC[C@@H](C(=O)NCCC1(C)OCCO1)[NH+](C)C ZINC000185539227 638777238 /nfs/dbraw/zinc/77/72/38/638777238.db2.gz MPWNDSQVVARCAV-NSHDSACASA-N 1 0 258.362 0.986 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCCc2ccnn2C)C1 ZINC000186609934 639820682 /nfs/dbraw/zinc/82/06/82/639820682.db2.gz JPLYNWYGRHBTDO-GFCCVEGCSA-N 1 0 279.388 0.746 10 0 CCAERO COC(=O)N(C)CCCC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000193648040 649551894 /nfs/dbraw/zinc/55/18/94/649551894.db2.gz HERZINGAWMRXRK-QWRGUYRKSA-N 1 0 271.361 0.722 10 0 CCAERO Cc1nn(CN2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000245665656 649647606 /nfs/dbraw/zinc/64/76/06/649647606.db2.gz GPINBDLHAPIQIG-NSHDSACASA-N 1 0 265.317 0.837 10 0 CCAERO COCCOCCCNC(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089395284 649655887 /nfs/dbraw/zinc/65/58/87/649655887.db2.gz KLAAGUJFSDEQMT-QWHCGFSZSA-N 1 0 272.389 0.921 10 0 CCAERO CC(=O)N1CCCN(C(=O)[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000089396812 649656136 /nfs/dbraw/zinc/65/61/36/649656136.db2.gz AZOCXKRYQJGZOY-UONOGXRCSA-N 1 0 281.400 0.832 10 0 CCAERO COC(=O)CCCNC(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089395435 649656179 /nfs/dbraw/zinc/65/61/79/649656179.db2.gz OPWHQPPOQQELKK-MNOVXSKESA-N 1 0 256.346 0.821 10 0 CCAERO CC[C@@H]1CN(CC[C@H]2CCOC2=O)CC[N@@H+]1CCOC ZINC000246378367 649671937 /nfs/dbraw/zinc/67/19/37/649671937.db2.gz ITFCPCXAEHSBHD-UONOGXRCSA-N 1 0 284.400 0.982 10 0 CCAERO COC(=O)c1cn(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)nn1 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COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H](O)CO)c1 ZINC000105827324 838612424 /nfs/dbraw/zinc/61/24/24/838612424.db2.gz SADLQMLLDPLHOD-VHSXEESVSA-N 1 0 255.314 0.708 10 0 CCAERO C[N@H+](C[C@@H](O)CN1CCCC1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693048340 976580707 /nfs/dbraw/zinc/58/07/07/976580707.db2.gz KAXXUIMYKMXTGF-GRYCIOLGSA-N 1 0 256.346 0.238 10 0 CCAERO CC[C@](COC)([NH2+]CC[C@H]1CCC[N@@H+]1C)C(=O)[O-] ZINC000707957165 977407534 /nfs/dbraw/zinc/40/75/34/977407534.db2.gz MOIIZFAILWTMCA-DGCLKSJQSA-N 1 0 258.362 0.940 10 0 CCAERO CC[NH+]1CCC([NH2+]C[C@@H]2CCO[C@@H]2C(=O)[O-])CC1 ZINC000716199765 977816178 /nfs/dbraw/zinc/81/61/78/977816178.db2.gz ASZDCPVPOAQALO-JQWIXIFHSA-N 1 0 256.346 0.550 10 0 CCAERO C[C@H](c1cnccn1)S(=O)(=O)N1CCC[C@@H]([NH3+])C1 ZINC000100256049 230391869 /nfs/dbraw/zinc/39/18/69/230391869.db2.gz GAXVHFJKGLRKSM-NXEZZACHSA-N 1 0 270.358 0.291 10 0 CCAERO CC(C)S(=O)(=O)CCCN1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000573331407 334928451 /nfs/dbraw/zinc/92/84/51/334928451.db2.gz 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ZINC000262380804 137041311 /nfs/dbraw/zinc/04/13/11/137041311.db2.gz WZCBGSQSOLZPCW-SMDDNHRTSA-N 1 0 292.354 0.944 10 0 CCAERO CCc1c(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cnn1C(C)(C)C ZINC000262412020 137042561 /nfs/dbraw/zinc/04/25/61/137042561.db2.gz ZHGITZCZSGDFAK-MFKMUULPSA-N 1 0 294.399 0.511 10 0 CCAERO O=C(CCc1cccs1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262416141 137042802 /nfs/dbraw/zinc/04/28/02/137042802.db2.gz ZSEGJCAEQJZZLI-ONGXEEELSA-N 1 0 254.355 0.377 10 0 CCAERO C[C@@H](C(=O)NCC[N@@H+]1CCCC[C@@H]1C)C1C[NH2+]C1 ZINC000262433348 137043278 /nfs/dbraw/zinc/04/32/78/137043278.db2.gz UCDFRCWOICXEBG-NWDGAFQWSA-N 1 0 253.390 0.833 10 0 CCAERO Cn1nc(C2CC[NH2+]CC2)nc1NC(=O)COCC1CC1 ZINC000262436675 137043388 /nfs/dbraw/zinc/04/33/88/137043388.db2.gz XLWUPGGNTPIOSR-UHFFFAOYSA-N 1 0 293.371 0.647 10 0 CCAERO C[C@H]([NH3+])C(=O)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000262595602 137047808 /nfs/dbraw/zinc/04/78/08/137047808.db2.gz WQHGTDQIQBEQIQ-HBNTYKKESA-N 1 0 268.313 0.278 10 0 CCAERO C[C@@H](CNC(=O)C1C[NH2+]C1)N1CCc2ccccc21 ZINC000263107559 137058569 /nfs/dbraw/zinc/05/85/69/137058569.db2.gz ADBLYMPYIXHVEX-NSHDSACASA-N 1 0 259.353 0.773 10 0 CCAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)NCCn1cnnc1C1CC1 ZINC000261775355 137019599 /nfs/dbraw/zinc/01/95/99/137019599.db2.gz OUKHHVFEFRWFAP-NWDGAFQWSA-N 1 0 277.372 0.789 10 0 CCAERO CC(C)c1ccc(OCC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000261897561 137024937 /nfs/dbraw/zinc/02/49/37/137024937.db2.gz ACMOLTCSDVIGDB-DZGCQCFKSA-N 1 0 292.379 0.885 10 0 CCAERO C[C@@H](C(=O)N1CC[C@H]([NH3+])C(C)(C)C1)N1CCOCC1 ZINC000261919782 137025927 /nfs/dbraw/zinc/02/59/27/137025927.db2.gz UWLDYLKTDRMKPO-RYUDHWBXSA-N 1 0 269.389 0.293 10 0 CCAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1cc(-c2ccccc2)n[nH]1 ZINC000262174664 137029203 /nfs/dbraw/zinc/02/92/03/137029203.db2.gz VPCWLEZNJNEMJX-SWLSCSKDSA-N 1 0 272.352 0.747 10 0 CCAERO COCc1cccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000262204234 137031002 /nfs/dbraw/zinc/03/10/02/137031002.db2.gz IKGSTICCOPHTIX-QWHCGFSZSA-N 1 0 264.325 0.143 10 0 CCAERO O=C(CSCc1ccccn1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262212421 137031195 /nfs/dbraw/zinc/03/11/95/137031195.db2.gz IXKVOVCQGQDADQ-JQWIXIFHSA-N 1 0 281.381 0.011 10 0 CCAERO C[C@H](C[NH3+])C(=O)N[C@@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000262204323 137031265 /nfs/dbraw/zinc/03/12/65/137031265.db2.gz NJWLHASHUSFOCD-BDAKNGLRSA-N 1 0 277.324 0.790 10 0 CCAERO Cc1cccc(O[C@H](C)C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000262230424 137031798 /nfs/dbraw/zinc/03/17/98/137031798.db2.gz KESZLSPZPUQKFR-MBNYWOFBSA-N 1 0 278.352 0.459 10 0 CCAERO O=C(COc1ccccc1Cl)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262236947 137032346 /nfs/dbraw/zinc/03/23/46/137032346.db2.gz KPVUJXCALVWRSO-KOLCDFICSA-N 1 0 284.743 0.415 10 0 CCAERO O=C(Cc1c(F)cccc1Cl)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262242109 137032919 /nfs/dbraw/zinc/03/29/19/137032919.db2.gz KZZPQTWGUPXSPQ-PELKAZGASA-N 1 0 286.734 0.718 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000262269733 137034267 /nfs/dbraw/zinc/03/42/67/137034267.db2.gz MUUNSLZXXVLCTD-GHYVTOPFSA-N 1 0 278.327 0.626 10 0 CCAERO C[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)c1cccnc1 ZINC000262269769 137034393 /nfs/dbraw/zinc/03/43/93/137034393.db2.gz MWJMGYSABVGSDM-DFBGVHRSSA-N 1 0 299.378 0.996 10 0 CCAERO CCc1ccc(OCC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262282623 137034792 /nfs/dbraw/zinc/03/47/92/137034792.db2.gz OARHBYJSIFRONI-JSGCOSHPSA-N 1 0 278.352 0.324 10 0 CCAERO CCCC(=O)N[C@@H]1CCCN(C(=O)C2C[NH2+]C2)C1 ZINC000262284509 137035476 /nfs/dbraw/zinc/03/54/76/137035476.db2.gz WIDGQYFXUSXPSG-LLVKDONJSA-N 1 0 253.346 0.113 10 0 CCAERO O=C(C[C@H]1COCC[NH2+]1)NCc1ccccc1OCCO ZINC000262313466 137037053 /nfs/dbraw/zinc/03/70/53/137037053.db2.gz CAQMAVWTZBRLMR-ZDUSSCGKSA-N 1 0 294.351 0.052 10 0 CCAERO COC[C@H]([NH3+])C(=O)N[C@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000262320249 137037723 /nfs/dbraw/zinc/03/77/23/137037723.db2.gz QFVCDVBTDILHEC-SCZZXKLOSA-N 1 0 293.323 0.168 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000262327748 137037852 /nfs/dbraw/zinc/03/78/52/137037852.db2.gz RZKBIKAAKRBJDZ-RMIALFOJSA-N 1 0 296.317 0.765 10 0 CCAERO Cc1ccc(OCC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262329113 137038136 /nfs/dbraw/zinc/03/81/36/137038136.db2.gz SDMWAISBHZYYAT-WCQYABFASA-N 1 0 264.325 0.070 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cc2c(s1)CCOC2 ZINC000262337596 137038895 /nfs/dbraw/zinc/03/88/95/137038895.db2.gz SUKOTZGJXVNRFK-ZJUUUORDSA-N 1 0 282.365 0.131 10 0 CCAERO Cc1cc(Cl)ccc1OCC(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262334630 137038979 /nfs/dbraw/zinc/03/89/79/137038979.db2.gz SMAZQVUAMVVOQR-ZYHUDNBSSA-N 1 0 298.770 0.724 10 0 CCAERO Cn1cc(CNC[C@@H]2C[NH2+]C[C@@H]2O)c(-c2cccs2)n1 ZINC000263251167 137061900 /nfs/dbraw/zinc/06/19/00/137061900.db2.gz PZGGSMGYYPCMJC-PWSUYJOCSA-N 1 0 292.408 0.819 10 0 CCAERO Cn1nc(-c2nc([C@H]3C[NH2+]CCN3C)no2)cc1C1CC1 ZINC000263269685 137062268 /nfs/dbraw/zinc/06/22/68/137062268.db2.gz SASNVVMDRGWDNO-GFCCVEGCSA-N 1 0 288.355 0.924 10 0 CCAERO O=C(C1C[NH2+]C1)N1CCN(c2ncccc2F)CC1 ZINC000263274140 137062524 /nfs/dbraw/zinc/06/25/24/137062524.db2.gz IQKTUDUNCSGDAU-UHFFFAOYSA-N 1 0 264.304 0.089 10 0 CCAERO O=C(NCCNC(=O)C1C[NH2+]C1)c1c(F)cccc1F ZINC000263272870 137062630 /nfs/dbraw/zinc/06/26/30/137062630.db2.gz IHUJKNYKPSALTP-UHFFFAOYSA-N 1 0 283.278 0.030 10 0 CCAERO O[C@@H]1C[NH2+]C[C@H]1CNCc1csc(C2CC2)n1 ZINC000263316690 137063895 /nfs/dbraw/zinc/06/38/95/137063895.db2.gz ZNCUZWRDYAHBIB-MWLCHTKSSA-N 1 0 253.371 0.690 10 0 CCAERO CC[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@H](OC)C[C@@H]1CO ZINC000312609146 137077353 /nfs/dbraw/zinc/07/73/53/137077353.db2.gz ZFYIYIOYSWVGQD-MGPQQGTHSA-N 1 0 284.400 0.859 10 0 CCAERO CC(C)c1cnc(CNC[C@@H]2C[NH2+]C[C@H]2O)s1 ZINC000263193521 137060043 /nfs/dbraw/zinc/06/00/43/137060043.db2.gz IDRZEKREXABZKD-VHSXEESVSA-N 1 0 255.387 0.936 10 0 CCAERO O[C@@H]1C[NH2+]C[C@H]1CNCc1cn2cc(Cl)ccc2n1 ZINC000263201391 137060135 /nfs/dbraw/zinc/06/01/35/137060135.db2.gz JBORQYWVGAXWFV-BXKDBHETSA-N 1 0 280.759 0.658 10 0 CCAERO CN1CC[NH2+]C[C@@H]1c1noc(C[C@@H]2CCOC2)n1 ZINC000263206471 137060320 /nfs/dbraw/zinc/06/03/20/137060320.db2.gz JSRCGSWDHBGDCJ-VHSXEESVSA-N 1 0 252.318 0.225 10 0 CCAERO CC(=O)c1cc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)n(C)c1 ZINC000263228068 137060773 /nfs/dbraw/zinc/06/07/73/137060773.db2.gz NBEZBWUBCPLTQL-LBPRGKRZSA-N 1 0 289.339 0.854 10 0 CCAERO O=C(C[N@@H+]1CCC[C@H]2CCCC[C@@H]21)N1CCNC(=O)C1 ZINC000011470616 348017473 /nfs/dbraw/zinc/01/74/73/348017473.db2.gz WKOGNMWBYWVIIK-OLZOCXBDSA-N 1 0 279.384 0.599 10 0 CCAERO CC[C@@H]([NH3+])C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000019976400 348074990 /nfs/dbraw/zinc/07/49/90/348074990.db2.gz RSAOIPYBYRHPPH-SNVBAGLBSA-N 1 0 271.361 0.803 10 0 CCAERO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCN(c2ccc(F)cc2)CC1 ZINC000020434223 348077527 /nfs/dbraw/zinc/07/75/27/348077527.db2.gz LMGYTAKOROUSRB-KGLIPLIRSA-N 1 0 293.342 0.197 10 0 CCAERO CCCCOC[C@H](O)C[N@@H+]1C[C@@H](OC)C[C@@H]1CO ZINC000344681763 137207479 /nfs/dbraw/zinc/20/74/79/137207479.db2.gz SASWYXDFHZLPKQ-UPJWGTAASA-N 1 0 261.362 0.246 10 0 CCAERO CO[C@H]1C[C@@H](CO)[N@H+](CCCn2ccnc2C)C1 ZINC000344697800 137208654 /nfs/dbraw/zinc/20/86/54/137208654.db2.gz CEECPOJBDRZKLW-STQMWFEESA-N 1 0 253.346 0.663 10 0 CCAERO Nc1cccc(OC[C@H](O)Cn2ccc(=[NH2+])cc2)c1 ZINC000033853160 348148148 /nfs/dbraw/zinc/14/81/48/348148148.db2.gz HYIIYMFHOBGEBU-CYBMUJFWSA-N 1 0 259.309 0.990 10 0 CCAERO CC[C@H]([NH3+])[C@@H](c1cnn(C)c1)N1CCNC(=O)[C@@H]1C ZINC000104136562 185907118 /nfs/dbraw/zinc/90/71/18/185907118.db2.gz WKOUKYOIEYLRRY-ZMLRMANQSA-N 1 0 265.361 0.019 10 0 CCAERO CCC[C@@]1(C(=O)N2CCNC(=O)[C@@H]2C)CCC[NH2+]C1 ZINC000104135509 185906024 /nfs/dbraw/zinc/90/60/24/185906024.db2.gz PPFPHMVOCJNOHX-SMDDNHRTSA-N 1 0 267.373 0.503 10 0 CCAERO C[NH2+][C@H](C)C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000054076446 348540900 /nfs/dbraw/zinc/54/09/00/348540900.db2.gz XAVHBDKDLOMSRV-LLVKDONJSA-N 1 0 278.356 0.142 10 0 CCAERO C[NH2+][C@H](C)C(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC000054074684 348541441 /nfs/dbraw/zinc/54/14/41/348541441.db2.gz SAOLPLYMMHWNDD-MRVPVSSYSA-N 1 0 263.276 0.953 10 0 CCAERO O[C@@H](Cn1cccn1)C[N@@H+]1CCCN(C2CC2)CC1 ZINC000061040794 348650808 /nfs/dbraw/zinc/65/08/08/348650808.db2.gz ZFWUTZZOUDJLLM-CQSZACIVSA-N 1 0 264.373 0.414 10 0 CCAERO CCC(=O)N1CCCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000062115521 348664968 /nfs/dbraw/zinc/66/49/68/348664968.db2.gz UKRDAUXKNDIKNY-LLVKDONJSA-N 1 0 253.346 0.067 10 0 CCAERO CC[NH+]1CCN(c2ccc3ncc(=O)n(C)c3n2)CC1 ZINC000064553599 348702741 /nfs/dbraw/zinc/70/27/41/348702741.db2.gz LKKSHKKXYGGCCU-UHFFFAOYSA-N 1 0 273.340 0.470 10 0 CCAERO CC[NH+](CC)CC(=O)NC[C@@H](C)N1CCOCC1 ZINC000068064565 348796012 /nfs/dbraw/zinc/79/60/12/348796012.db2.gz RQQWJSDEAPVZPP-GFCCVEGCSA-N 1 0 257.378 0.165 10 0 CCAERO Cc1noc(-c2ccc(N3CCC[C@@H]([NH3+])C3)nn2)n1 ZINC000070458426 348890473 /nfs/dbraw/zinc/89/04/73/348890473.db2.gz YIDNEONVENYUDS-SECBINFHSA-N 1 0 260.301 0.763 10 0 CCAERO C[C@@H](NC(=O)c1ccco1)C(=O)N1CCC[N@H+](C)CC1 ZINC000072532927 348923417 /nfs/dbraw/zinc/92/34/17/348923417.db2.gz YFWVTZGFUPIAMH-LLVKDONJSA-N 1 0 279.340 0.562 10 0 CCAERO C[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)[C@@H]1CCCO1 ZINC000074217216 348980651 /nfs/dbraw/zinc/98/06/51/348980651.db2.gz VTCGRCDQQHJAKU-XQQFMLRXSA-N 1 0 297.399 0.080 10 0 CCAERO O=C(CNCC(F)(F)F)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000078596166 349145587 /nfs/dbraw/zinc/14/55/87/349145587.db2.gz WGXXUTXOOTXMEC-SNVBAGLBSA-N 1 0 279.306 0.835 10 0 CCAERO CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000121057867 350019708 /nfs/dbraw/zinc/01/97/08/350019708.db2.gz NCYPLJDIFHWKRB-SRVKXCTJSA-N 1 0 263.403 0.950 10 0 CCAERO CC[NH2+][C@@H](C)[C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000104420432 185995845 /nfs/dbraw/zinc/99/58/45/185995845.db2.gz VXULJPLGEVIQHM-RYUDHWBXSA-N 1 0 264.373 0.995 10 0 CCAERO CC(C)Oc1cc(N2CCN(C)C[C@@H]2C[NH3+])ncn1 ZINC000122787243 350069307 /nfs/dbraw/zinc/06/93/07/350069307.db2.gz DICYTFOPVDHPHC-NSHDSACASA-N 1 0 265.361 0.343 10 0 CCAERO CC[C@@H](SC)C(=O)NC[C@@H](C)N1CCOCC1 ZINC000124281998 350093477 /nfs/dbraw/zinc/09/34/77/350093477.db2.gz CWFATSYPCOJVCV-GHMZBOCLSA-N 1 0 260.403 0.965 10 0 CCAERO CCCC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)COC)C1 ZINC000126514523 350148204 /nfs/dbraw/zinc/14/82/04/350148204.db2.gz HLSHBVAJVIZGFP-VXGBXAGGSA-N 1 0 258.362 0.374 10 0 CCAERO CNC(=O)C(C)(C)CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000129513206 350216356 /nfs/dbraw/zinc/21/63/56/350216356.db2.gz RZMVLILITJINDC-RYUDHWBXSA-N 1 0 298.431 0.787 10 0 CCAERO C[C@H](Cn1ccnc1)NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129615370 350218850 /nfs/dbraw/zinc/21/88/50/350218850.db2.gz LNPVLZMZGMPQAD-GFCCVEGCSA-N 1 0 279.388 0.072 10 0 CCAERO CC(C)CCOCCNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129720155 350221397 /nfs/dbraw/zinc/22/13/97/350221397.db2.gz OTVHITYKCXEZHX-UHFFFAOYSA-N 1 0 285.432 0.849 10 0 CCAERO CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CN(C)CCO2)C1 ZINC000105180060 186044970 /nfs/dbraw/zinc/04/49/70/186044970.db2.gz ZMPWOGFEQNMRAA-ZIAGYGMSSA-N 1 0 298.431 0.348 10 0 CCAERO Cc1noc(C)c1CNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129798685 350223030 /nfs/dbraw/zinc/22/30/30/350223030.db2.gz FJXUWBPQPHAZIX-UHFFFAOYSA-N 1 0 280.372 0.591 10 0 CCAERO COC(=O)c1ccc(CNC(=O)C2([NH3+])CCOCC2)cc1 ZINC000132234537 350301467 /nfs/dbraw/zinc/30/14/67/350301467.db2.gz BQEMIMDCVMOQJY-UHFFFAOYSA-N 1 0 292.335 0.597 10 0 CCAERO CCC[C@@H](C(=O)N1CCO[C@@H](CC(=O)OC)C1)[NH+](C)C ZINC000132877808 350319073 /nfs/dbraw/zinc/31/90/73/350319073.db2.gz ZQTOSWPUHVAUFG-RYUDHWBXSA-N 1 0 286.372 0.507 10 0 CCAERO C[C@@H](C(F)(F)F)S(=O)(=O)N1CCC([NH3+])CC1 ZINC000335347663 295807752 /nfs/dbraw/zinc/80/77/52/295807752.db2.gz TZCPZPPVDPAILW-LURJTMIESA-N 1 0 260.281 0.690 10 0 CCAERO CCOCC[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135706187 350407494 /nfs/dbraw/zinc/40/74/94/350407494.db2.gz BJSHNYAXRXYNFP-LBPRGKRZSA-N 1 0 276.402 0.523 10 0 CCAERO 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0.963 10 0 CCAERO CC(C)OC[C@@H](O)C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105902015 186087103 /nfs/dbraw/zinc/08/71/03/186087103.db2.gz YSRPHLRJKFERMZ-AWEZNQCLSA-N 1 0 294.399 0.775 10 0 CCAERO COCC[N@@H+]1CCN(CC(=O)OC(C)(C)C)C[C@@H]1C ZINC000105913448 186089418 /nfs/dbraw/zinc/08/94/18/186089418.db2.gz QIRLGSWJZIBAIZ-LBPRGKRZSA-N 1 0 272.389 0.981 10 0 CCAERO CN1CCO[C@@H](C[NH2+]Cc2cn3ccccc3n2)C1 ZINC000105932739 186091906 /nfs/dbraw/zinc/09/19/06/186091906.db2.gz MPLQXPOYRPOBCG-ZDUSSCGKSA-N 1 0 260.341 0.755 10 0 CCAERO CCC(CC)NC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000105932888 186091950 /nfs/dbraw/zinc/09/19/50/186091950.db2.gz ROYRNYLJWVSXKD-YPMHNXCESA-N 1 0 271.405 0.600 10 0 CCAERO CC(=O)NCCNC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000139716932 350448833 /nfs/dbraw/zinc/44/88/33/350448833.db2.gz WJKPZDZSDARNOX-UHFFFAOYSA-N 1 0 268.361 0.002 10 0 CCAERO O=C1Cc2cc(S(=O)(=O)[C@@H]3CC[NH2+]C3)ccc2N1 ZINC000145058631 350464865 /nfs/dbraw/zinc/46/48/65/350464865.db2.gz VTWOJBJPRZBXPJ-SNVBAGLBSA-N 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CMXVZZFFNMBFFP-KBPBESRZSA-N 1 0 291.399 0.833 10 0 CCAERO CC(C)n1nnnc1CN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631889790 370740174 /nfs/dbraw/zinc/74/01/74/370740174.db2.gz JLKZKFZSPLXXRD-NEPJUHHUSA-N 1 0 264.377 0.828 10 0 CCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCc1csc(=O)[nH]1 ZINC000335593371 212306707 /nfs/dbraw/zinc/30/67/07/212306707.db2.gz GDFASMGMYNXKBZ-APPZFPTMSA-N 1 0 255.343 0.853 10 0 CCAERO C[C@H](CC(=O)N[C@H]1CCC(=O)NC1)[C@@H]1CCC[NH2+]C1 ZINC000211096680 189687157 /nfs/dbraw/zinc/68/71/57/189687157.db2.gz IMIRAAMKTRZYER-UTUOFQBUSA-N 1 0 267.373 0.407 10 0 CCAERO CC(C)(C)OC(=O)NCC[C@@H]1CN(CCO)CC[NH2+]1 ZINC000616634134 365393206 /nfs/dbraw/zinc/39/32/06/365393206.db2.gz MCIPAFMDOCJBJI-LLVKDONJSA-N 1 0 273.377 0.167 10 0 CCAERO CC(=O)Nc1cccc([C@H]2COCCN2CC[NH3+])c1 ZINC000616639736 365398822 /nfs/dbraw/zinc/39/88/22/365398822.db2.gz OJGUEZYXNQUBFT-CQSZACIVSA-N 1 0 263.341 0.977 10 0 CCAERO [NH3+]CCN1CCOC[C@@H]1c1cc2ccccc2nn1 ZINC000616639159 365399136 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/nfs/dbraw/zinc/64/85/36/367648536.db2.gz VQTYRLAKGRMAOO-STQMWFEESA-N 1 0 267.325 0.943 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1CCSc2ccccc21 ZINC000262300463 283984824 /nfs/dbraw/zinc/98/48/24/283984824.db2.gz PODKPZVWYZYACB-UHTWSYAYSA-N 1 0 292.404 0.963 10 0 CCAERO OC1(c2csc(CN3CCOCC3)n2)CC[NH2+]CC1 ZINC000225469367 189753112 /nfs/dbraw/zinc/75/31/12/189753112.db2.gz GTGFLDHLYTWJDI-UHFFFAOYSA-N 1 0 283.397 0.546 10 0 biogenic,in-vitro CCAERO CCCCOC[C@H](O)C[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC000629617029 369742092 /nfs/dbraw/zinc/74/20/92/369742092.db2.gz FOEJNOYNOUWTBP-ZIAGYGMSSA-N 1 0 284.400 0.907 10 0 CCAERO CO[C@@H]1CN(CCn2nc(C)cc2C)[C@@](C)(C[NH3+])C1 ZINC000630360006 370062128 /nfs/dbraw/zinc/06/21/28/370062128.db2.gz DPAIYVJJWRGJKU-UONOGXRCSA-N 1 0 266.389 0.938 10 0 CCAERO CO[C@H]1CN(Cc2noc(C3CC3)n2)[C@](C)(C[NH3+])C1 ZINC000630361605 370063400 /nfs/dbraw/zinc/06/34/00/370063400.db2.gz LAGKKCPPKOHZTG-MFKMUULPSA-N 1 0 266.345 0.885 10 0 CCAERO CO[C@@H]1CN(Cc2ncnn2CC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630364555 370065543 /nfs/dbraw/zinc/06/55/43/370065543.db2.gz FMDQFYRVYKZURA-GXTWGEPZSA-N 1 0 281.404 0.872 10 0 CCAERO CO[C@H]1CN(Cc2ncnn2C(C)C)[C@@](C)(C[NH3+])C1 ZINC000630365479 370066502 /nfs/dbraw/zinc/06/65/02/370066502.db2.gz IKLJFJVDOUBVNU-DGCLKSJQSA-N 1 0 267.377 0.797 10 0 CCAERO CCCCn1nnnc1CN1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630365806 370066906 /nfs/dbraw/zinc/06/69/06/370066906.db2.gz YSZDLPFBDGGAFN-AAEUAGOBSA-N 1 0 282.392 0.411 10 0 CCAERO CO[C@H]1CN(Cc2ccc(C(N)=O)cc2)[C@@](C)(C[NH3+])C1 ZINC000630367054 370067936 /nfs/dbraw/zinc/06/79/36/370067936.db2.gz ZFILXWLWLYPBFT-UKRRQHHQSA-N 1 0 277.368 0.724 10 0 CCAERO Cc1cc(C(C)C)nc(NC[C@H]2C[NH2+]C[C@H]2O)n1 ZINC000630511277 370139242 /nfs/dbraw/zinc/13/92/42/370139242.db2.gz CMOORPIFGHAGHX-ZYHUDNBSSA-N 1 0 250.346 0.323 10 0 CCAERO CCCOc1nccnc1N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000630512414 370140230 /nfs/dbraw/zinc/14/02/30/370140230.db2.gz WASYEFGILCHHGY-MNOVXSKESA-N 1 0 266.345 0.818 10 0 CCAERO C[NH2+]CCOCCN(C)c1nc(OC)cc(OC)n1 ZINC000630529069 370148966 /nfs/dbraw/zinc/14/89/66/370148966.db2.gz PSLDIBCATUIYDI-UHFFFAOYSA-N 1 0 270.333 0.166 10 0 CCAERO [NH3+]CCCOCCNc1ccc(OC(F)F)cn1 ZINC000630537384 370157134 /nfs/dbraw/zinc/15/71/34/370157134.db2.gz NAWVPKNNGWCGBE-UHFFFAOYSA-N 1 0 261.272 0.882 10 0 CCAERO C[C@H](NC(=O)[C@@H]1CCC[C@H]1[NH3+])C(=O)N1CCCCC1 ZINC000237455716 189877074 /nfs/dbraw/zinc/87/70/74/189877074.db2.gz PGJSIVQXDVGJPK-QJPTWQEYSA-N 1 0 267.373 0.631 10 0 CCAERO CO[C@H]1CN(CCc2ccnn2C)[C@@](C)(C[NH3+])C1 ZINC000634688183 372133060 /nfs/dbraw/zinc/13/30/60/372133060.db2.gz KWPUAMBUTPFFCH-CHWSQXEVSA-N 1 0 252.362 0.401 10 0 CCAERO O=C(NCCCn1cncn1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634765639 372212935 /nfs/dbraw/zinc/21/29/35/372212935.db2.gz XYYVMFZJVUQSFL-AAEUAGOBSA-N 1 0 263.345 0.174 10 0 CCAERO O=C(N1CC[C@@H]2OCC[NH2+][C@@H]2C1)[C@]12CCC[C@H]1OCC2 ZINC000634770318 372220908 /nfs/dbraw/zinc/22/09/08/372220908.db2.gz HQLFAFBVNYCNRR-COMQUAJESA-N 1 0 280.368 0.535 10 0 CCAERO CC[C@@H](C)NC(=O)CCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634744156 372189721 /nfs/dbraw/zinc/18/97/21/372189721.db2.gz PDIQKXHTQMHEFV-XUJVJEKNSA-N 1 0 281.400 0.797 10 0 CCAERO C[C@@H](NC(=O)[C@]12CCC[C@H]1C[NH2+]C2)C(=O)NC(C)(C)C ZINC000634746187 372193571 /nfs/dbraw/zinc/19/35/71/372193571.db2.gz JNBJWCQHQGHBFF-ZETOZRRWSA-N 1 0 281.400 0.796 10 0 CCAERO O=C([C@H]1C[NH2+]CCOC1)N1CCO[C@H](C(F)F)CC1 ZINC000634751926 372198844 /nfs/dbraw/zinc/19/88/44/372198844.db2.gz AGCIIWUCYUGSEY-UWVGGRQHSA-N 1 0 278.299 0.105 10 0 CCAERO c1cc2c(ncnc2N2CC[C@H]3OCC[NH2+][C@H]3C2)[nH]1 ZINC000634809681 372251885 /nfs/dbraw/zinc/25/18/85/372251885.db2.gz YBKZTGDTCWFGEE-WDEREUQCSA-N 1 0 259.313 0.525 10 0 CCAERO C[C@@H]1C[C@@H](O)C[N@@H+]([C@H]2CCCN(c3ccn(C)n3)C2=O)C1 ZINC000333110464 205039728 /nfs/dbraw/zinc/03/97/28/205039728.db2.gz RYJBKYQDIFYCSP-UPJWGTAASA-N 1 0 292.383 0.618 10 0 CCAERO CC(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333363976 205255625 /nfs/dbraw/zinc/25/56/25/205255625.db2.gz LNDHUUPLJVETPX-CYDGBPFRSA-N 1 0 285.388 0.022 10 0 CCAERO CN1C[C@H](NC(=O)N[C@H]2CCCC[NH2+]C2)CCC1=O ZINC000333362668 205256202 /nfs/dbraw/zinc/25/62/02/205256202.db2.gz LIIGLSBDRINNCM-WDEREUQCSA-N 1 0 268.361 0.049 10 0 CCAERO CC[N@H+](CC(=O)N1CCNC[C@H]1c1cnn(C)c1)C1CC1 ZINC000181441014 284389992 /nfs/dbraw/zinc/38/99/92/284389992.db2.gz HHHBRPQLPWFAHL-AWEZNQCLSA-N 1 0 291.399 0.377 10 0 CCAERO O=C1CCCc2nc(NC[C@@H]3C[NH2+]CCCO3)ccc21 ZINC000333700515 205612265 /nfs/dbraw/zinc/61/22/65/205612265.db2.gz QTXGLTGTJGMUEI-NSHDSACASA-N 1 0 275.352 0.813 10 0 CCAERO COC[C@@H]1CN(C(=O)N[C@H]2CCCC[NH2+]C2)C[C@@H](C)O1 ZINC000333854681 205774977 /nfs/dbraw/zinc/77/49/77/205774977.db2.gz QSDXMKXBBGZLNQ-AGIUHOORSA-N 1 0 285.388 0.574 10 0 CCAERO C[C@@H]1CN(C(=O)[C@]2(C[NH3+])CCCOC2)C[C@@H](C)O1 ZINC000637866676 374431157 /nfs/dbraw/zinc/43/11/57/374431157.db2.gz BMJGEKGOMZIQBG-WZRBSPASSA-N 1 0 256.346 0.378 10 0 CCAERO C[C@@H](NC(=O)c1cnc(C[NH3+])nc1)[C@H]1CCCO1 ZINC000637928342 374481291 /nfs/dbraw/zinc/48/12/91/374481291.db2.gz CCCWNXHMXJEGLL-PSASIEDQSA-N 1 0 250.302 0.233 10 0 CCAERO [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000637933779 374486541 /nfs/dbraw/zinc/48/65/41/374486541.db2.gz QFUHWBQCEWSQJW-KXNHARMFSA-N 1 0 254.330 0.273 10 0 CCAERO Cc1nocc1C(=O)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000638435195 375035790 /nfs/dbraw/zinc/03/57/90/375035790.db2.gz SIJKSAKZVVQWNJ-ZETCQYMHSA-N 1 0 251.208 0.945 10 0 CCAERO CCC[C@@H](CNC(=O)C(C)(C)N1CC[NH2+]CC1)OCC ZINC000638457324 375061536 /nfs/dbraw/zinc/06/15/36/375061536.db2.gz LEDARICGSWHPGY-ZDUSSCGKSA-N 1 0 285.432 0.992 10 0 CCAERO C[C@]1(C(=O)N[C@H]2CCN(C3CCC3)C2=O)CCCC[NH2+]1 ZINC000638795259 375364013 /nfs/dbraw/zinc/36/40/13/375364013.db2.gz ASAQYZWAFJVHGD-SWLSCSKDSA-N 1 0 279.384 0.788 10 0 CCAERO C[C@@H]1CN(C(=O)CNC(=O)c2ccccc2)C[C@@H]1C[NH3+] ZINC000638887494 375426307 /nfs/dbraw/zinc/42/63/07/375426307.db2.gz VHSOSVHJTBPGHT-YPMHNXCESA-N 1 0 275.352 0.470 10 0 CCAERO C[C@H]1CN(C(=O)c2cccc(C(N)=O)c2)C[C@H]1C[NH3+] ZINC000638889201 375427749 /nfs/dbraw/zinc/42/77/49/375427749.db2.gz KIGDJBQMKSJZSD-JOYOIKCWSA-N 1 0 261.325 0.452 10 0 CCAERO C[C@H]1CN(C(=O)c2ccc3n[nH]nc3c2)C[C@H]1C[NH3+] ZINC000638895828 375433115 /nfs/dbraw/zinc/43/31/15/375433115.db2.gz VERUHIAUEDNDNB-WCBMZHEXSA-N 1 0 259.313 0.625 10 0 CCAERO C[C@H]1CN(C(=O)Cc2cnn3ccccc23)C[C@H]1C[NH3+] ZINC000638900230 375438312 /nfs/dbraw/zinc/43/83/12/375438312.db2.gz FYLFHPAFXVCFSM-WCQYABFASA-N 1 0 272.352 0.930 10 0 CCAERO CC(=O)N1CCC[C@@H]1C(=O)N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000638905856 375442730 /nfs/dbraw/zinc/44/27/30/375442730.db2.gz SOMYAIOGOJXXOD-MVWJERBFSA-N 1 0 253.346 0.051 10 0 CCAERO CC[C@H]1CN(C[C@@H]2CCc3ncnn32)CC[N@@H+]1CCOC ZINC000639478803 375798556 /nfs/dbraw/zinc/79/85/56/375798556.db2.gz RPPDCIUNPQXPFQ-KBPBESRZSA-N 1 0 293.415 0.808 10 0 CCAERO COCC[NH2+]CCc1cn(C[C@H](O)C(C)(C)C)nn1 ZINC000641211444 376887519 /nfs/dbraw/zinc/88/75/19/376887519.db2.gz PALFPSGBTSMLOE-LBPRGKRZSA-N 1 0 270.377 0.464 10 0 CCAERO O=C(c1ccc2[nH]ccc2c1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000569234008 291662106 /nfs/dbraw/zinc/66/21/06/291662106.db2.gz QWNYAOQFIXJHQH-UONOGXRCSA-N 1 0 271.320 0.981 10 0 CCAERO COc1c(C[NH2+][C@H](CO)CC(F)F)c(C)nn1C ZINC000641761441 377447446 /nfs/dbraw/zinc/44/74/46/377447446.db2.gz ILSJUOWGNYFXIQ-QMMMGPOBSA-N 1 0 263.288 0.843 10 0 CCAERO O[C@H]1C[NH2+]C[C@@H]1CNc1ncnc2ccsc21 ZINC000643040177 377700225 /nfs/dbraw/zinc/70/02/25/377700225.db2.gz JEEGLPVCNZVWLI-APPZFPTMSA-N 1 0 250.327 0.105 10 0 CCAERO Cc1csc2c1ncnc2NC[C@H]1C[NH2+]C[C@H]1O ZINC000643040668 377702328 /nfs/dbraw/zinc/70/23/28/377702328.db2.gz LRSBPFGAGGZIHI-RKDXNWHRSA-N 1 0 264.354 0.414 10 0 CCAERO O=C(CN1CCO[C@@H]2C[NH2+]C[C@@H]21)NC1CCCCC1 ZINC000643085595 377714589 /nfs/dbraw/zinc/71/45/89/377714589.db2.gz LOAFWBGKXHPHQA-QWHCGFSZSA-N 1 0 267.373 0.108 10 0 CCAERO CC[C@H](CO)[NH2+]C[C@@H](O)c1ccc2c(c1)OCCO2 ZINC000037888159 184542653 /nfs/dbraw/zinc/54/26/53/184542653.db2.gz YPEABPJQJAQTLH-VXGBXAGGSA-N 1 0 267.325 0.852 10 0 CCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccnn2C)C1 ZINC000246406000 285018477 /nfs/dbraw/zinc/01/84/77/285018477.db2.gz KMGFQHPVYSNWMN-WDEREUQCSA-N 1 0 293.371 0.204 10 0 CCAERO CCO[C@H](C)c1noc(CN2CCO[C@@H](C[NH+](C)C)C2)n1 ZINC000246703156 285029374 /nfs/dbraw/zinc/02/93/74/285029374.db2.gz GDLDJLHIKBMHCE-NEPJUHHUSA-N 1 0 298.387 0.930 10 0 CCAERO CCn1ccnc1CN1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000247006958 285039766 /nfs/dbraw/zinc/03/97/66/285039766.db2.gz BVGNPUYWIFQATH-STQMWFEESA-N 1 0 266.389 0.790 10 0 CCAERO C[C@@H]1C(=O)NCCCN1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000335254214 208035964 /nfs/dbraw/zinc/03/59/64/208035964.db2.gz OVXRDBBUFYOASA-MNOVXSKESA-N 1 0 268.361 0.001 10 0 CCAERO COC(=O)NC(C)(C)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248639852 285072030 /nfs/dbraw/zinc/07/20/30/285072030.db2.gz RCAUPOMQDLVOIE-LPEHRKFASA-N 1 0 269.345 0.317 10 0 CCAERO C[N@@H+](Cc1cccnc1)C[C@H]1CCN([C@H]2CCNC2=O)C1 ZINC000248638074 285072221 /nfs/dbraw/zinc/07/22/21/285072221.db2.gz ATLXXFATDZQLEH-CABCVRRESA-N 1 0 288.395 0.724 10 0 CCAERO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H]1CC(F)(F)CN1 ZINC000335323456 208187706 /nfs/dbraw/zinc/18/77/06/208187706.db2.gz XDYUXYOSCREVFN-WDEREUQCSA-N 1 0 275.343 0.784 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NCC1CC1 ZINC000249036820 285098009 /nfs/dbraw/zinc/09/80/09/285098009.db2.gz MLUMOKOLZJBCRJ-JQWIXIFHSA-N 1 0 265.357 0.208 10 0 CCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)/C=C/c2ccc[nH]2)C[C@@H]1C ZINC000249192705 285105139 /nfs/dbraw/zinc/10/51/39/285105139.db2.gz AHWCFHLQQINPDM-AAAGKOELSA-N 1 0 277.368 0.941 10 0 CCAERO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCCC[C@@H](CO)C1 ZINC000364832654 522633211 /nfs/dbraw/zinc/63/32/11/522633211.db2.gz ZEFNQXGDBOZGGH-MJBXVCDLSA-N 1 0 275.389 0.493 10 0 CCAERO CCC[C@H](C(=O)N[C@H]1C(=O)NCC[C@@H]1C)[NH+](C)C ZINC000249657469 285137542 /nfs/dbraw/zinc/13/75/42/285137542.db2.gz ZXJBOTBLIUCVBF-HBNTYKKESA-N 1 0 255.362 0.358 10 0 CCAERO CCC[C@@H](C(=O)N1CCN(CCO)[C@@H](C)C1)[NH+](C)C ZINC000249839806 285140790 /nfs/dbraw/zinc/14/07/90/285140790.db2.gz FUXOWOWDGLABKU-STQMWFEESA-N 1 0 271.405 0.242 10 0 CCAERO CO[C@@H]1C[N@H+](C[C@@H](O)CN2CCCC2=O)CC[C@H]1C ZINC000251770432 285149295 /nfs/dbraw/zinc/14/92/95/285149295.db2.gz KUHUHLKYKGCVQR-JHJVBQTASA-N 1 0 270.373 0.327 10 0 CCAERO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000392937502 285206450 /nfs/dbraw/zinc/20/64/50/285206450.db2.gz SHBYMVURAQMUQS-LPEHRKFASA-N 1 0 262.375 0.066 10 0 CCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000392961539 285207255 /nfs/dbraw/zinc/20/72/55/285207255.db2.gz PHZBHKNLPUDVEZ-KOLCDFICSA-N 1 0 265.361 0.790 10 0 CCAERO C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CCNC1=O ZINC000657523213 413015823 /nfs/dbraw/zinc/01/58/23/413015823.db2.gz DDDYBRUVVIKTPE-ZYHUDNBSSA-N 1 0 261.325 0.882 10 0 CCAERO COC[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCO1 ZINC000261739140 285292749 /nfs/dbraw/zinc/29/27/49/285292749.db2.gz LQKLTOBDVPIGRK-GRYCIOLGSA-N 1 0 256.346 0.235 10 0 CCAERO C[N@@H+]1CC[C@@H]2OCCN(C(=O)Cc3cccc(O)c3)[C@@H]2C1 ZINC000285850932 388805242 /nfs/dbraw/zinc/80/52/42/388805242.db2.gz QGQLHTVCZMWXBL-CABCVRRESA-N 1 0 290.363 0.866 10 0 CCAERO CC[N@H+](CCO)CCNCc1c(C)nn(C)c1OC ZINC000184539969 388774507 /nfs/dbraw/zinc/77/45/07/388774507.db2.gz LYQWLYGFOWLSST-UHFFFAOYSA-N 1 0 270.377 0.141 10 0 CCAERO O=C(Nc1ccc2c(c1)NC(=O)CO2)[C@H]1CCC[NH2+]C1 ZINC000040806846 388856361 /nfs/dbraw/zinc/85/63/61/388856361.db2.gz HLYWHHCRODGGAK-VIFPVBQESA-N 1 0 275.308 0.956 10 0 CCAERO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCCN(C)C(=O)C1 ZINC000188050733 388911631 /nfs/dbraw/zinc/91/16/31/388911631.db2.gz KTHJITHWEAGGOR-LBPRGKRZSA-N 1 0 284.404 0.590 10 0 CCAERO C[C@@H](C(=O)N1CCC([NH+]2CCCC2)CC1)n1cncn1 ZINC000058907899 388935465 /nfs/dbraw/zinc/93/54/65/388935465.db2.gz MZKGUCQYVYTYPT-LBPRGKRZSA-N 1 0 277.372 0.926 10 0 CCAERO 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294.424 0.687 10 0 CCAERO O=C(NCC1(c2ccccc2)CCC1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262483347 131224406 /nfs/dbraw/zinc/22/44/06/131224406.db2.gz IEGFRNCBEVTXOQ-KGLIPLIRSA-N 1 0 274.364 0.947 10 0 CCAERO Cc1ccc(NCCCNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)nc1 ZINC000262516250 131228329 /nfs/dbraw/zinc/22/83/29/131228329.db2.gz MZFHSPMUFMVMOB-RYUDHWBXSA-N 1 0 278.356 0.031 10 0 CCAERO Cc1cc(C)c(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c(C)c1 ZINC000262529303 131229655 /nfs/dbraw/zinc/22/96/55/131229655.db2.gz PGBFJNTVUZVLQI-OCCSQVGLSA-N 1 0 262.353 0.951 10 0 CCAERO C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)[C@H]1CCO[C@H]1C ZINC000408080037 289038910 /nfs/dbraw/zinc/03/89/10/289038910.db2.gz AXUWVUKGIHZSCL-MROQNXINSA-N 1 0 270.373 0.325 10 0 CCAERO Cc1nc(C)c(C[NH2+][C@@H]2CCCN(CCO)C2)o1 ZINC000685563021 545835289 /nfs/dbraw/zinc/83/52/89/545835289.db2.gz YDKIGQKQUVWCES-GFCCVEGCSA-N 1 0 253.346 0.838 10 0 CCAERO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1ncncc1Cl ZINC000262079750 143936318 /nfs/dbraw/zinc/93/63/18/143936318.db2.gz XNDJHCUWRHRKBI-YUMQZZPRSA-N 1 0 254.721 0.939 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(Cl)cn1 ZINC000262091144 143937284 /nfs/dbraw/zinc/93/72/84/143937284.db2.gz DBKRTCJGTWHLAL-XCBNKYQSSA-N 1 0 255.705 0.045 10 0 CCAERO C[C@H]1C[C@]2(C[N@@H+]1Cc1ccccc1)NCCNC2=O ZINC000306419549 397447106 /nfs/dbraw/zinc/44/71/06/397447106.db2.gz VVIRLWRVBWHXHC-SWLSCSKDSA-N 1 0 259.353 0.739 10 0 CCAERO C[C@H]([NH3+])CC(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000040833916 397395295 /nfs/dbraw/zinc/39/52/95/397395295.db2.gz PUSHJAIZHCWCHC-VIFPVBQESA-N 1 0 297.380 0.803 10 0 CCAERO NC(=O)[C@]1(O)CCCN(Cc2nc3ccccc3o2)C1 ZINC000370543228 144306768 /nfs/dbraw/zinc/30/67/68/144306768.db2.gz XIUFOCVWNJZRJS-AWEZNQCLSA-N 1 0 275.308 0.640 10 0 CCAERO C[C@@H]1C[C@H](CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)CCO1 ZINC000371432697 144331383 /nfs/dbraw/zinc/33/13/83/144331383.db2.gz KXDBAMAZSXHLLV-MCIONIFRSA-N 1 0 299.415 0.774 10 0 CCAERO COc1ncc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)s1 ZINC000392924301 397513625 /nfs/dbraw/zinc/51/36/25/397513625.db2.gz LKTCZLCVWKBEDL-VXNVDRBHSA-N 1 0 255.343 0.908 10 0 CCAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCC(=O)NCC1CC1 ZINC000393172289 397513642 /nfs/dbraw/zinc/51/36/42/397513642.db2.gz OYQKRDWAJXZKNI-MNOVXSKESA-N 1 0 253.346 0.004 10 0 CCAERO CC[NH+](CC)[C@H]1CCN(C(=O)[C@]2(C)CCCNC2=O)C1 ZINC000372977622 144387932 /nfs/dbraw/zinc/38/79/32/144387932.db2.gz KSPUMKMMKVYKOA-SWLSCSKDSA-N 1 0 281.400 0.845 10 0 CCAERO CC1(C)CN(C(=O)C2(C[NH3+])CCOCC2)CCCO1 ZINC000375341428 144436278 /nfs/dbraw/zinc/43/62/78/144436278.db2.gz LPYCEYPQVQQCMH-UHFFFAOYSA-N 1 0 270.373 0.769 10 0 CCAERO COC1(C(F)(F)F)CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000409427920 397524289 /nfs/dbraw/zinc/52/42/89/397524289.db2.gz FUJLLKABMQKHTH-ZETCQYMHSA-N 1 0 254.252 0.904 10 0 CCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000644148345 397600742 /nfs/dbraw/zinc/60/07/42/397600742.db2.gz SAZXSTFDKLSJPU-RTXFEEFZSA-N 1 0 279.384 0.583 10 0 CCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000644148343 397600765 /nfs/dbraw/zinc/60/07/65/397600765.db2.gz SAZXSTFDKLSJPU-KGYLQXTDSA-N 1 0 279.384 0.583 10 0 CCAERO CCOCCC(=O)N1CCC2(CC[NH2+]C[C@@H]2CO)CC1 ZINC000097594758 286034906 /nfs/dbraw/zinc/03/49/06/286034906.db2.gz IYKQEQLCCONZGW-CYBMUJFWSA-N 1 0 284.400 0.624 10 0 CCAERO CO[C@H]1C[C@@H](C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)[N@H+](C)C1 ZINC000408040894 286084141 /nfs/dbraw/zinc/08/41/41/286084141.db2.gz DQEHCXIJFHSDOV-HOSILWTGSA-N 1 0 296.411 0.859 10 0 CCAERO CO[C@H]1C[C@@H](C(N)=O)[N@H+](C[C@H]2CCO[C@@H](C)C2)C1 ZINC000408033422 286089851 /nfs/dbraw/zinc/08/98/51/286089851.db2.gz LXQMARVWCDJZKM-BJDJZHNGSA-N 1 0 256.346 0.376 10 0 CCAERO CCOCCNC(=O)CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247023991 286095294 /nfs/dbraw/zinc/09/52/94/286095294.db2.gz STFHUARHXJHWMW-CHWSQXEVSA-N 1 0 269.389 0.308 10 0 CCAERO c1cn([C@@H]2COC[C@@H]2[NH2+][C@@H]2CCOC3(CCC3)C2)nn1 ZINC000333228042 296631363 /nfs/dbraw/zinc/63/13/63/296631363.db2.gz BIGNWEOYIAYWIY-FRRDWIJNSA-N 1 0 278.356 0.909 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCNC(N)=O ZINC000246462639 287226351 /nfs/dbraw/zinc/22/63/51/287226351.db2.gz AISBTRKPSDRYJR-MNOVXSKESA-N 1 0 268.361 0.130 10 0 CCAERO CC(=O)NCCNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000047819377 411650707 /nfs/dbraw/zinc/65/07/07/411650707.db2.gz SFIZIBZFCUBWOB-CQSZACIVSA-N 1 0 292.383 0.725 10 0 CCAERO CCCN(CCC)S(=O)(=O)NC[C@@H]1CC[NH2+]C1 ZINC000133754015 411729626 /nfs/dbraw/zinc/72/96/26/411729626.db2.gz YIVVDDPNDHDKDP-LLVKDONJSA-N 1 0 263.407 0.552 10 0 CCAERO COCC[NH2+]CCNc1ncnc2onc(C)c21 ZINC000215504777 411734922 /nfs/dbraw/zinc/73/49/22/411734922.db2.gz ZGRFGPOHWVHJGJ-UHFFFAOYSA-N 1 0 251.290 0.574 10 0 CCAERO COC1(C(=O)N[C@@H]2CCC[C@H](O)C2)CC[NH2+]CC1 ZINC000310831191 411746971 /nfs/dbraw/zinc/74/69/71/411746971.db2.gz GQXMNONCWVPZJH-MNOVXSKESA-N 1 0 256.346 0.175 10 0 CCAERO CC(C)(C)CCCNC(=O)[C@H]([NH3+])CCS(C)(=O)=O ZINC000313483307 411754458 /nfs/dbraw/zinc/75/44/58/411754458.db2.gz PFZQWVDTEPQTCD-SNVBAGLBSA-N 1 0 278.418 0.691 10 0 CCAERO CCO[C@@H]1CN(c2nccn3nc(C)cc23)C[C@H]1C[NH3+] ZINC000405374400 411801172 /nfs/dbraw/zinc/80/11/72/411801172.db2.gz KWKGCLCSOLPVMD-DGCLKSJQSA-N 1 0 275.356 0.838 10 0 CCAERO CCO[C@@H]1CN(c2cnn(C)c(=O)c2Cl)C[C@H]1C[NH3+] ZINC000405398595 411802236 /nfs/dbraw/zinc/80/22/36/411802236.db2.gz VBHHGJQNIVADGN-PSASIEDQSA-N 1 0 286.763 0.234 10 0 CCAERO COC(=O)C(=O)N1CC[C@@H](c2ccccc2)[C@@H]([NH3+])C1 ZINC000616570069 411840561 /nfs/dbraw/zinc/84/05/61/411840561.db2.gz LQTKMOJAGQMYER-RYUDHWBXSA-N 1 0 262.309 0.503 10 0 CCAERO CCN(C[C@@H](O)C[NH3+])S(=O)(=O)c1ccccc1 ZINC000019685614 170839703 /nfs/dbraw/zinc/83/97/03/170839703.db2.gz AHJVPMBZKNSOGQ-JTQLQIEISA-N 1 0 258.343 0.017 10 0 CCAERO C[NH+](C)CCCNS(=O)(=O)c1ccc(F)c(N)c1 ZINC000020005565 170967336 /nfs/dbraw/zinc/96/73/36/170967336.db2.gz CVDCKHOQDSAFRB-UHFFFAOYSA-N 1 0 275.349 0.638 10 0 CCAERO COc1ccc(CC[NH2+]CC(=O)NC(N)=O)cc1OC ZINC000020040421 170975763 /nfs/dbraw/zinc/97/57/63/170975763.db2.gz URWCQZWWNNWRMX-UHFFFAOYSA-N 1 0 281.312 0.031 10 0 CCAERO CCCC(=O)N[C@H](CC(C)C)C(=O)N1CC[NH2+]CC1 ZINC000020184099 171047027 /nfs/dbraw/zinc/04/70/27/171047027.db2.gz CLYAQOIJTJYXJT-GFCCVEGCSA-N 1 0 269.389 0.749 10 0 CCAERO CN(c1nc(CC[NH3+])cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000020185316 171048772 /nfs/dbraw/zinc/04/87/72/171048772.db2.gz LIVLBEMOJBZOFA-SECBINFHSA-N 1 0 275.399 0.268 10 0 CCAERO COCCNS(=O)(=O)c1cc(C[NH3+])ccc1OC ZINC000020189661 171056167 /nfs/dbraw/zinc/05/61/67/171056167.db2.gz DJUVQKMWKCXZDC-UHFFFAOYSA-N 1 0 274.342 0.079 10 0 CCAERO COc1ccc(N(CC[NH3+])S(C)(=O)=O)cc1OC ZINC000020236115 171096249 /nfs/dbraw/zinc/09/62/49/171096249.db2.gz MPLYLCRJCFGEJJ-UHFFFAOYSA-N 1 0 274.342 0.429 10 0 CCAERO CCN(c1ccccc1)S(=O)(=O)N1CC[NH2+]CC1 ZINC000020247602 171101139 /nfs/dbraw/zinc/10/11/39/171101139.db2.gz DYYYLAQQFUCGJE-UHFFFAOYSA-N 1 0 269.370 0.663 10 0 CCAERO O=S(=O)(Nc1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000020247620 171101204 /nfs/dbraw/zinc/10/12/04/171101204.db2.gz KXSLHSZVHMCCTH-UHFFFAOYSA-N 1 0 275.761 0.902 10 0 CCAERO [NH3+][C@H]1CCCCN1S(=O)(=O)N1CCCCCC1 ZINC000020256094 171109947 /nfs/dbraw/zinc/10/99/47/171109947.db2.gz BYSJDKOZCDVEGV-LLVKDONJSA-N 1 0 261.391 0.878 10 0 CCAERO C[C@H](C(=O)Nc1ccc(N(C)C)cc1)N1CC[NH2+]CC1 ZINC000020269957 171125552 /nfs/dbraw/zinc/12/55/52/171125552.db2.gz CYHQAARSMGYSRJ-GFCCVEGCSA-N 1 0 276.384 0.985 10 0 CCAERO CC(C)CNC(=O)[C@@H](C)[NH2+][C@H]1CN2CCC1CC2 ZINC000020358434 171157654 /nfs/dbraw/zinc/15/76/54/171157654.db2.gz ZGLGGDHMWLERGV-YPMHNXCESA-N 1 0 253.390 0.831 10 0 CCAERO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCN(C)c1ccccc1 ZINC000020361831 171160167 /nfs/dbraw/zinc/16/01/67/171160167.db2.gz QGSWCRKOWVWEIX-LBPRGKRZSA-N 1 0 292.383 0.947 10 0 CCAERO COCCCNC(=O)[C@H](C)[N@H+](C)CCC(N)=S ZINC000020420663 171186004 /nfs/dbraw/zinc/18/60/04/171186004.db2.gz GSIVCLYTFWPUPG-VIFPVBQESA-N 1 0 261.391 0.136 10 0 CCAERO COC(=O)CNS(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000020548328 171245628 /nfs/dbraw/zinc/24/56/28/171245628.db2.gz OILUATULJVNMFR-MRVPVSSYSA-N 1 0 272.326 0.158 10 0 CCAERO NS(=O)(=O)c1ccc(NC(=O)C[NH2+]C2CCCC2)cc1 ZINC000021265167 171300328 /nfs/dbraw/zinc/30/03/28/171300328.db2.gz OWXFYEHRTIBFAU-UHFFFAOYSA-N 1 0 297.380 0.805 10 0 CCAERO NC(=O)C1CCN(S(=O)(=O)c2ccccc2C[NH3+])CC1 ZINC000022165018 171365437 /nfs/dbraw/zinc/36/54/37/171365437.db2.gz XRKXDLSYJUPZES-UHFFFAOYSA-N 1 0 297.380 0.031 10 0 CCAERO O=C(NC[C@H]1CCC[C@H]1O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653082564 412211941 /nfs/dbraw/zinc/21/19/41/412211941.db2.gz ZICVYGMOPQXSOD-ZYUZMQFOSA-N 1 0 280.290 0.662 10 0 CCAERO CN(CCn1cccn1)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653119241 412229343 /nfs/dbraw/zinc/22/93/43/412229343.db2.gz CGOQEABLCOUUNY-NXEZZACHSA-N 1 0 290.289 0.739 10 0 CCAERO Cc1nncn1CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653121360 412230317 /nfs/dbraw/zinc/23/03/17/412230317.db2.gz RZLPVIOSQIPZDF-RKDXNWHRSA-N 1 0 291.277 0.101 10 0 CCAERO Cc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1O ZINC000653139157 412238739 /nfs/dbraw/zinc/23/87/39/412238739.db2.gz VJMVVVAGDTTWQY-ZYHUDNBSSA-N 1 0 250.298 0.011 10 0 CCAERO O=C(NCc1c[nH]cn1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653150780 412244075 /nfs/dbraw/zinc/24/40/75/412244075.db2.gz OWZJHTYVWWAWLE-HTQZYQBOSA-N 1 0 262.235 0.424 10 0 CCAERO CNC(=O)C(C)(C)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653155200 412244722 /nfs/dbraw/zinc/24/47/22/412244722.db2.gz LPMZVVDCSXHKCM-HTQZYQBOSA-N 1 0 295.305 0.273 10 0 CCAERO O=C([C@H]1C[NH2+]CCOC1)N1CCOCC12CCC2 ZINC000653168507 412251135 /nfs/dbraw/zinc/25/11/35/412251135.db2.gz DRTSJPCAXJOASB-NSHDSACASA-N 1 0 254.330 0.004 10 0 CCAERO CCCNS(=O)(=O)c1ccc(NCC[NH3+])cc1 ZINC000035353177 172143576 /nfs/dbraw/zinc/14/35/76/172143576.db2.gz YHSLQBQTENZYKT-UHFFFAOYSA-N 1 0 257.359 0.746 10 0 CCAERO CN(C)S(=O)(=O)c1ccccc1NCCC[NH3+] ZINC000035353664 172144263 /nfs/dbraw/zinc/14/42/63/172144263.db2.gz JYMQMWVNCQEWJW-UHFFFAOYSA-N 1 0 257.359 0.698 10 0 CCAERO CC(C)(C)NC(=O)CNC(=O)CCCCCC[NH3+] ZINC000035661170 172338793 /nfs/dbraw/zinc/33/87/93/172338793.db2.gz JWPUHAIJODDKCT-UHFFFAOYSA-N 1 0 257.378 0.927 10 0 CCAERO CNC(=O)COc1c(OC)cc(C[NH3+])cc1OC ZINC000035662934 172341234 /nfs/dbraw/zinc/34/12/34/172341234.db2.gz ZTNIBFQKZGJDHP-UHFFFAOYSA-N 1 0 254.286 0.287 10 0 CCAERO O=S1(=O)C[C@H](NC2CC[NH2+]CC2)c2ccccc21 ZINC000035688502 172356472 /nfs/dbraw/zinc/35/64/72/172356472.db2.gz UEJBKZZJIKWGLA-LBPRGKRZSA-N 1 0 266.366 0.857 10 0 CCAERO C[C@@H](NC(=O)[C@@H](C)N1CC[NH2+]CC1)c1ccncc1 ZINC000035694180 172363102 /nfs/dbraw/zinc/36/31/02/172363102.db2.gz KWPNHJKLMALMIN-VXGBXAGGSA-N 1 0 262.357 0.553 10 0 CCAERO C[C@H](NC(=O)[C@H](C)N1CC[NH2+]CC1)c1ccncc1 ZINC000035694182 172363282 /nfs/dbraw/zinc/36/32/82/172363282.db2.gz KWPNHJKLMALMIN-RYUDHWBXSA-N 1 0 262.357 0.553 10 0 CCAERO C[NH2+][C@H](C)c1cccc(S(=O)(=O)N[C@@H](C)C(N)=O)c1 ZINC000035796564 172421270 /nfs/dbraw/zinc/42/12/70/172421270.db2.gz PLHIFNQGSIBACD-BDAKNGLRSA-N 1 0 285.369 0.119 10 0 CCAERO Cc1ccc(S(=O)(=O)CCN2CC[NH2+]CC2)cc1 ZINC000036258847 172551397 /nfs/dbraw/zinc/55/13/97/172551397.db2.gz WCEPEHKAZXLDPD-UHFFFAOYSA-N 1 0 268.382 0.674 10 0 CCAERO CN(C(=O)/C=C/c1ccc(F)cc1)[C@@H]1C[NH2+]C[C@H]1O ZINC000036261455 172553784 /nfs/dbraw/zinc/55/37/84/172553784.db2.gz RFTSCOHNOQGURW-SXQWRXASSA-N 1 0 264.300 0.630 10 0 CCAERO C[C@H](C(=O)N[C@H]1CC[C@H]2C[NH2+]C[C@H]2C1)n1cncn1 ZINC000036287324 172582872 /nfs/dbraw/zinc/58/28/72/172582872.db2.gz WMOSMSLJPUDWKL-KXNHARMFSA-N 1 0 263.345 0.343 10 0 CCAERO C[C@H](CS(C)(=O)=O)[N@H+](C)C[C@@H]1CCC[C@H](O)C1 ZINC000659921583 413973449 /nfs/dbraw/zinc/97/34/49/413973449.db2.gz ZHASDYACQFWZLX-UTUOFQBUSA-N 1 0 263.403 0.902 10 0 CCAERO COc1cccc2cc(C[NH2+]CCS(N)(=O)=O)oc21 ZINC000037261815 173071234 /nfs/dbraw/zinc/07/12/34/173071234.db2.gz VEOIODDQFCMLHU-UHFFFAOYSA-N 1 0 284.337 0.820 10 0 CCAERO Cc1nn(C)c(N(C)CC(N)=O)c1C[NH2+]C(C)C ZINC000037268898 173080327 /nfs/dbraw/zinc/08/03/27/173080327.db2.gz ORZMMVXLTZRCJL-UHFFFAOYSA-N 1 0 253.350 0.148 10 0 CCAERO COc1cc(OC)c(C[C@@H](C[NH3+])CO)c(OC)c1 ZINC000037376524 173165625 /nfs/dbraw/zinc/16/56/25/173165625.db2.gz NCKPEPGWLAIXJP-VIFPVBQESA-N 1 0 255.314 0.822 10 0 CCAERO COC(=O)CCC[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000037395250 173175273 /nfs/dbraw/zinc/17/52/73/173175273.db2.gz NVCVNGXGNPAQIK-UHFFFAOYSA-N 1 0 250.298 0.828 10 0 CCAERO CCC[C@@H](C)N(C)C(=O)[C@H]([NH3+])CCS(C)(=O)=O ZINC000037505081 173240511 /nfs/dbraw/zinc/24/05/11/173240511.db2.gz RMZICXXIEKCYTC-NXEZZACHSA-N 1 0 264.391 0.395 10 0 CCAERO Cn1c(Cl)cnc1CN(CC(N)=O)C1CC[NH2+]CC1 ZINC000037542884 173263656 /nfs/dbraw/zinc/26/36/56/173263656.db2.gz NPGDDVMPDWANOJ-UHFFFAOYSA-N 1 0 285.779 0.113 10 0 CCAERO CNC(=O)[C@H](C)Oc1cc(CC[NH3+])ccc1OC ZINC000037721811 173640050 /nfs/dbraw/zinc/64/00/50/173640050.db2.gz PCDHSVBWBQCJAA-VIFPVBQESA-N 1 0 252.314 0.710 10 0 CCAERO COCCN(C(=O)C[NH2+]CC1CC1)[C@@H]1CCSC1 ZINC000037810555 173754903 /nfs/dbraw/zinc/75/49/03/173754903.db2.gz BFJDSUMOQRIIEC-GFCCVEGCSA-N 1 0 272.414 0.967 10 0 CCAERO CN(CC(=O)NCC(F)(F)F)C(=O)C1([NH3+])CCCC1 ZINC000037814082 173761682 /nfs/dbraw/zinc/76/16/82/173761682.db2.gz CSYVKRJUFNMQDI-UHFFFAOYSA-N 1 0 281.278 0.395 10 0 CCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H](CNC(N)=O)C1 ZINC000037820904 173773632 /nfs/dbraw/zinc/77/36/32/173773632.db2.gz HNJJNAYICGOIIQ-AXFHLTTASA-N 1 0 270.377 0.267 10 0 CCAERO O=C(c1c[nH]c(=O)[nH]1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000037916670 173851466 /nfs/dbraw/zinc/85/14/66/173851466.db2.gz MHHZSYPCIGIYAT-NXEZZACHSA-N 1 0 264.329 0.307 10 0 CCAERO CC[C@H](C)NC(=O)CC[NH2+]CCN1CCOCC1 ZINC000038014854 173987143 /nfs/dbraw/zinc/98/71/43/173987143.db2.gz XYXUIEQBFOPKEX-LBPRGKRZSA-N 1 0 257.378 0.213 10 0 CCAERO [NH3+]CCN(Cc1ccccc1)S(=O)(=O)C(F)F ZINC000038033083 174030227 /nfs/dbraw/zinc/03/02/27/174030227.db2.gz ZJQXXJLZZHAGCE-UHFFFAOYSA-N 1 0 264.297 1.000 10 0 CCAERO CCN(CCC[NH2+][C@@H](C)c1cc[nH]n1)S(C)(=O)=O ZINC000038035232 174033577 /nfs/dbraw/zinc/03/35/77/174033577.db2.gz JKBMNHAMISLXFK-JTQLQIEISA-N 1 0 274.390 0.732 10 0 CCAERO CCN(CCC[NH2+][C@@H](C)CC(=O)OC)S(C)(=O)=O ZINC000038035711 174034209 /nfs/dbraw/zinc/03/42/09/174034209.db2.gz ZTMPEAGWKAFNQT-JTQLQIEISA-N 1 0 280.390 0.199 10 0 CCAERO NC(=O)c1ccc(C[NH2+]C[C@H]2COCCO2)c(F)c1 ZINC000038061993 174073437 /nfs/dbraw/zinc/07/34/37/174073437.db2.gz WFSKXRSAYPTJCD-NSHDSACASA-N 1 0 268.288 0.430 10 0 CCAERO CCN(CC)C(=O)[C@H](C)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000038084071 174094332 /nfs/dbraw/zinc/09/43/32/174094332.db2.gz CTTCEKCDAVXBKF-QWRGUYRKSA-N 1 0 276.402 0.268 10 0 CCAERO COc1cc(C(N)=[NH2+])ccc1O[C@@H]1CCS(=O)(=O)C1 ZINC000038084907 174095193 /nfs/dbraw/zinc/09/51/93/174095193.db2.gz JMPWQLYLDOQNIG-SECBINFHSA-N 1 0 284.337 0.545 10 0 CCAERO COc1ccc(O[C@@H]2CCS(=O)(=O)C2)c(CC[NH3+])c1 ZINC000038085513 174096324 /nfs/dbraw/zinc/09/63/24/174096324.db2.gz BJOVDGAQGDBHOD-GFCCVEGCSA-N 1 0 285.365 0.762 10 0 CCAERO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC(N)=O)cc1OC ZINC000040447359 174265219 /nfs/dbraw/zinc/26/52/19/174265219.db2.gz JFNLZKGMEJKTJD-IUCAKERBSA-N 1 0 295.339 0.938 10 0 CCAERO [NH3+]C1(C(=O)N[C@H]2CCCNC2=O)CC2(CCC2)C1 ZINC000662541537 414726756 /nfs/dbraw/zinc/72/67/56/414726756.db2.gz HLIHTLMZDBJNDB-VIFPVBQESA-N 1 0 251.330 0.043 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)NCCC1(CS(C)(=O)=O)CC1 ZINC000662617257 414732758 /nfs/dbraw/zinc/73/27/58/414732758.db2.gz MTYPNOWATZPIFO-NSHDSACASA-N 1 0 290.429 0.691 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)NCCO[C@@H]1CC1(F)F ZINC000662648070 414737119 /nfs/dbraw/zinc/73/71/19/414737119.db2.gz WHTQCXVLUUZQFF-RKDXNWHRSA-N 1 0 250.289 0.900 10 0 CCAERO CN(Cc1cn(C)nn1)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000662688786 414741403 /nfs/dbraw/zinc/74/14/03/414741403.db2.gz OWLVIJRGCFHDOV-GFCCVEGCSA-N 1 0 251.334 0.306 10 0 CCAERO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2COCCN2)C1 ZINC000662844802 414836337 /nfs/dbraw/zinc/83/63/37/414836337.db2.gz BFCFPUIWMXLYCN-VXGBXAGGSA-N 1 0 269.389 0.211 10 0 CCAERO CN(C(=O)CCNC(=O)C(C)(C)C)[C@H](C[NH3+])C(F)(F)F ZINC000662977084 414929329 /nfs/dbraw/zinc/92/93/29/414929329.db2.gz IWBIGSBQCUTESD-MRVPVSSYSA-N 1 0 297.321 0.887 10 0 CCAERO CN1C[C@@H](CNC(=O)[C@](C)([NH3+])c2ccccc2)CC1=O ZINC000662886704 414869645 /nfs/dbraw/zinc/86/96/45/414869645.db2.gz KVDYPSWZJCYHQA-IAQYHMDHSA-N 1 0 275.352 0.455 10 0 CCAERO CN1C[C@@H](CNC(=O)C2([NH3+])CC3(CCC3)C2)CC1=O ZINC000662886673 414870093 /nfs/dbraw/zinc/87/00/93/414870093.db2.gz JRAZHBIWTNYSGG-SNVBAGLBSA-N 1 0 265.357 0.243 10 0 CCAERO C[C@@H](CN1CCOCC1)[NH2+]C1CCS(=O)CC1 ZINC000042336489 174689503 /nfs/dbraw/zinc/68/95/03/174689503.db2.gz NGJDEUKZQKBKRK-DLGFLZQMSA-N 1 0 260.403 0.208 10 0 CCAERO CCOC1CCN(S(=O)(=O)CCCC[NH3+])CC1 ZINC000042533442 174781941 /nfs/dbraw/zinc/78/19/41/174781941.db2.gz QHEXPHNEUFVROS-UHFFFAOYSA-N 1 0 264.391 0.556 10 0 CCAERO COCCS(=O)(=O)N(CCC[NH3+])Cc1cccnc1 ZINC000042806963 174883283 /nfs/dbraw/zinc/88/32/83/174883283.db2.gz GOIUHNSIPFQEQP-UHFFFAOYSA-N 1 0 287.385 0.209 10 0 CCAERO CNC(=O)[C@H](C)Oc1cc2c(cc1C[NH2+]C)OCO2 ZINC000042874295 174899323 /nfs/dbraw/zinc/89/93/23/174899323.db2.gz SQHJHWPCSOMLRB-QMMMGPOBSA-N 1 0 266.297 0.648 10 0 CCAERO Cc1nc(NCC[C@@H]([NH3+])C(C)C)sc1S(N)(=O)=O ZINC000663275534 415034323 /nfs/dbraw/zinc/03/43/23/415034323.db2.gz IOLVHSJESGSWIU-MRVPVSSYSA-N 1 0 292.430 0.884 10 0 CCAERO CCOc1cncc(NCc2nc(C[NH3+])cc(=O)[nH]2)n1 ZINC000663276892 415034935 /nfs/dbraw/zinc/03/49/35/415034935.db2.gz FOIIJEYEZXWNJY-UHFFFAOYSA-N 1 0 276.300 0.442 10 0 CCAERO Cc1[nH]nc(N)c1C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000045014821 175290949 /nfs/dbraw/zinc/29/09/49/175290949.db2.gz HFEBHUSMEROCRC-SECBINFHSA-N 1 0 265.361 0.905 10 0 CCAERO CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1cc[nH+]cc1C ZINC000664269594 415320503 /nfs/dbraw/zinc/32/05/03/415320503.db2.gz CQARUXFISUYYLA-GHMZBOCLSA-N 1 0 256.327 0.036 10 0 CCAERO CCC[NH2+][C@@](C)(CN(C)C[C@@H]1CC[N@H+](C)C1)C(=O)[O-] ZINC000071190868 176068251 /nfs/dbraw/zinc/06/82/51/176068251.db2.gz LCLTWYGQRWPAFQ-OCCSQVGLSA-N 1 0 271.405 0.713 10 0 CCAERO COCCN(CCC[NH3+])C(=O)c1cccc(O)c1 ZINC000071222716 176088035 /nfs/dbraw/zinc/08/80/35/176088035.db2.gz IUDPNHAMTKIHSY-UHFFFAOYSA-N 1 0 252.314 0.830 10 0 CCAERO CCN(CC(=O)NC)Cc1ccc(F)cc1C[NH3+] ZINC000071250498 176095118 /nfs/dbraw/zinc/09/51/18/176095118.db2.gz LYDKQRPIMWEHFU-UHFFFAOYSA-N 1 0 253.321 0.852 10 0 CCAERO CN(Cn1nnc2ccccc2c1=O)[C@H]1CC[NH2+]C1 ZINC000071310786 176118193 /nfs/dbraw/zinc/11/81/93/176118193.db2.gz MLFUDJKYRJCKAE-JTQLQIEISA-N 1 0 259.313 0.043 10 0 CCAERO NC(=O)[C@@H]1CCCC[N@@H+]1CCCn1ccc(N)n1 ZINC000071352266 176134875 /nfs/dbraw/zinc/13/48/75/176134875.db2.gz ITPFHLLLYMKDTM-JTQLQIEISA-N 1 0 251.334 0.195 10 0 CCAERO CCOC(=O)N1CCN(C(=O)C[C@@H](C)C[NH3+])CC1 ZINC000076664091 177049922 /nfs/dbraw/zinc/04/99/22/177049922.db2.gz CAVYDZQPNFLDNG-SNVBAGLBSA-N 1 0 257.334 0.272 10 0 CCAERO [NH3+]CC[C@@H]1CS(=O)(=O)CCN1Cc1ccccc1 ZINC000076722891 177070233 /nfs/dbraw/zinc/07/02/33/177070233.db2.gz MVMVXJJXGICIEF-CYBMUJFWSA-N 1 0 268.382 0.634 10 0 CCAERO CC(C)C[C@@H](C[NH3+])CC(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000076818446 177107946 /nfs/dbraw/zinc/10/79/46/177107946.db2.gz RUJZYOIBLPMWRA-NEPJUHHUSA-N 1 0 290.429 0.643 10 0 CCAERO C[C@@H](O)CN1CCN(C(=O)[C@H]2CCOC[C@@H]2C)CC1 ZINC000192911351 227381691 /nfs/dbraw/zinc/38/16/91/227381691.db2.gz VESBGKGWTFLYHC-XQQFMLRXSA-N 1 0 270.373 0.184 10 0 CCAERO C[C@@H]1CCCN(S(=O)(=O)[C@@H]2CCCOC2)[C@@H]1C[NH3+] ZINC000262002371 287358493 /nfs/dbraw/zinc/35/84/93/287358493.db2.gz GJIZSDUGIRSFEK-IJLUTSLNSA-N 1 0 276.402 0.554 10 0 CCAERO CS(=O)(=O)N[C@@H]1CC[NH2+]CC[C@H]1C(F)(F)F ZINC000685945962 545872212 /nfs/dbraw/zinc/87/22/12/545872212.db2.gz HQONMZBOOMMECX-RNFRBKRXSA-N 1 0 260.281 0.466 10 0 CCAERO C[C@@H]([NH3+])[C@H](c1ccncc1)n1cc(S(C)(=O)=O)cn1 ZINC000725252279 545876792 /nfs/dbraw/zinc/87/67/92/545876792.db2.gz LODZRPIHWBDKOF-BXKDBHETSA-N 1 0 280.353 0.618 10 0 CCAERO Cc1c[nH+]c(Cn2cc(S(C)(=O)=O)cn2)c(C)c1N ZINC000725252173 545876896 /nfs/dbraw/zinc/87/68/96/545876896.db2.gz KAHNJFPBPKTYSQ-UHFFFAOYSA-N 1 0 280.353 0.759 10 0 CCAERO Cc1cc(C)c(C[NH3+])c(-n2cc(S(C)(=O)=O)cn2)n1 ZINC000725253824 545878023 /nfs/dbraw/zinc/87/80/23/545878023.db2.gz ZSRAOASBRMIBPW-UHFFFAOYSA-N 1 0 280.353 0.746 10 0 CCAERO C[NH2+][C@H]1CCCC[C@@H]1n1cc(S(C)(=O)=O)cn1 ZINC000725251624 545877072 /nfs/dbraw/zinc/87/70/72/545877072.db2.gz CQODTAOLIREHAH-QWRGUYRKSA-N 1 0 257.359 0.990 10 0 CCAERO CS(=O)(=O)c1cnn(-c2cccc(C[NH3+])c2)c1 ZINC000725251922 545877325 /nfs/dbraw/zinc/87/73/25/545877325.db2.gz IEWHYNBEPTZDQZ-UHFFFAOYSA-N 1 0 251.311 0.735 10 0 CCAERO CC1(C)CC[C@H](n2cc(S(C)(=O)=O)cn2)[C@H]1[NH3+] ZINC000725253538 545879087 /nfs/dbraw/zinc/87/90/87/545879087.db2.gz WRYXXXJVTXRUHC-VHSXEESVSA-N 1 0 257.359 0.975 10 0 CCAERO Nc1ncc(C(=O)Nc2ccnn2C2C[NH2+]C2)s1 ZINC000725260617 545881342 /nfs/dbraw/zinc/88/13/42/545881342.db2.gz WDLCFGAPQKMJMF-UHFFFAOYSA-N 1 0 264.314 0.318 10 0 CCAERO Nc1ncc(CNc2ccnn2C2C[NH2+]C2)s1 ZINC000725259646 545882614 /nfs/dbraw/zinc/88/26/14/545882614.db2.gz FCUNXZLGZKVJAP-UHFFFAOYSA-N 1 0 250.331 0.678 10 0 CCAERO C[NH+](C)C[C@@H]1COC[C@@H]1[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000725273983 545889189 /nfs/dbraw/zinc/88/91/89/545889189.db2.gz ZXWRATKTJWSGBW-UTUOFQBUSA-N 1 0 256.346 0.360 10 0 CCAERO CN(C(=O)NCC1(C)CCCC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333587512 228206128 /nfs/dbraw/zinc/20/61/28/228206128.db2.gz OEWPCZDEKVPMSU-QWRGUYRKSA-N 1 0 255.362 0.541 10 0 CCAERO C[C@]1(C(=O)N2CC[C@@H](N3CCOCC3)C2)CCC[NH2+]1 ZINC000079521467 544473544 /nfs/dbraw/zinc/47/35/44/544473544.db2.gz HEQRNWATEBLJEW-TZMCWYRMSA-N 1 0 267.373 0.062 10 0 CCAERO CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089455636 544512939 /nfs/dbraw/zinc/51/29/39/544512939.db2.gz QIKLVRUMDLMGGA-NWDGAFQWSA-N 1 0 282.388 0.235 10 0 CCAERO CN(CC(=O)NC1CC1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089450840 544513799 /nfs/dbraw/zinc/51/37/99/544513799.db2.gz PFEKEKBEMHNSOK-KOLCDFICSA-N 1 0 253.346 0.098 10 0 CCAERO CCCN(CC(=O)N(C)C)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089458358 544514555 /nfs/dbraw/zinc/51/45/55/544514555.db2.gz XVHNABWWBLTPGE-RYUDHWBXSA-N 1 0 269.389 0.688 10 0 CCAERO [NH3+]CCn1cc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)nn1 ZINC000089699637 544515850 /nfs/dbraw/zinc/51/58/50/544515850.db2.gz KJAOJRKJJLTKLB-NWDGAFQWSA-N 1 0 279.344 0.020 10 0 CCAERO CC(C)(C)OC(=O)N1CC(O)([C@]2(C[NH3+])CCOC2)C1 ZINC000091925215 544528731 /nfs/dbraw/zinc/52/87/31/544528731.db2.gz IDEVTEUPYAKEQG-LBPRGKRZSA-N 1 0 272.345 0.334 10 0 CCAERO Cc1noc(COCC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)n1 ZINC000115439804 544564983 /nfs/dbraw/zinc/56/49/83/544564983.db2.gz JAZOGQVMIZRIGY-LBPRGKRZSA-N 1 0 296.371 0.695 10 0 CCAERO CN(C)c1nccc(NCC2([NH3+])CCOCC2)n1 ZINC000630523739 419460797 /nfs/dbraw/zinc/46/07/97/419460797.db2.gz BFFCXHNIZIMAQD-UHFFFAOYSA-N 1 0 251.334 0.462 10 0 CCAERO C[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@@H]1[NH+](C)C ZINC000134422839 544629354 /nfs/dbraw/zinc/62/93/54/544629354.db2.gz YKRJJZGTIMLDLC-SCZZXKLOSA-N 1 0 251.334 0.024 10 0 CCAERO CCN(CC(=O)N(C)C)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000136165152 544637280 /nfs/dbraw/zinc/63/72/80/544637280.db2.gz XZOPVMOEDDKYOB-ZDUSSCGKSA-N 1 0 255.362 0.455 10 0 CCAERO CCNC(=O)N1CCN(C(=O)C[C@H]([NH3+])C(C)C)CC1 ZINC000136380122 544638360 /nfs/dbraw/zinc/63/83/60/544638360.db2.gz SIAPGSZFVNZMJR-NSHDSACASA-N 1 0 270.377 0.234 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)NCc1cccc(C(N)=O)c1 ZINC000136431072 544638621 /nfs/dbraw/zinc/63/86/21/544638621.db2.gz BDZNEQVLZYRRPX-GFCCVEGCSA-N 1 0 263.341 0.775 10 0 CCAERO CCN(CC)C(=O)CN(C)C(=O)C[C@@H]([NH3+])C(C)C ZINC000136398506 544638719 /nfs/dbraw/zinc/63/87/19/544638719.db2.gz SOTDNLXJVVYEMC-LLVKDONJSA-N 1 0 257.378 0.687 10 0 CCAERO CC(C)C[C@H](C[NH3+])CC(=O)N1CCO[C@@H](CO)C1 ZINC000167944212 544728889 /nfs/dbraw/zinc/72/88/89/544728889.db2.gz KCBXSOUSVFFMBZ-NWDGAFQWSA-N 1 0 258.362 0.217 10 0 CCAERO CC[C@H]1CN(C(=O)c2ccc(C[NH3+])o2)CCN1C[C@@H](C)O ZINC000168005234 544728996 /nfs/dbraw/zinc/72/89/96/544728996.db2.gz QKIWAHCOCQBBPE-NEPJUHHUSA-N 1 0 295.383 0.656 10 0 CCAERO CCOc1cc(C)nc(N2CCN(CCC[NH3+])CC2)n1 ZINC000169190875 544732608 /nfs/dbraw/zinc/73/26/08/544732608.db2.gz GOVWOPOYYORAEQ-UHFFFAOYSA-N 1 0 279.388 0.655 10 0 CCAERO O=C(NC[C@H](O)C[NH+]1CCCCC1)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000172162941 544734841 /nfs/dbraw/zinc/73/48/41/544734841.db2.gz MOJDVQOZXFZOSV-DGAVXFQQSA-N 1 0 297.399 0.452 10 0 CCAERO OC[C@H]1C[C@H](O)C[N@@H+]1Cc1cccc2c1OCCO2 ZINC000179178023 544749508 /nfs/dbraw/zinc/74/95/08/544749508.db2.gz VRZPPSUURDCRMX-NEPJUHHUSA-N 1 0 265.309 0.385 10 0 CCAERO C[C@H]1C[C@@H]1NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000179310678 544750922 /nfs/dbraw/zinc/75/09/22/544750922.db2.gz ZGBYVEHFFVOYBC-AAEUAGOBSA-N 1 0 268.405 0.720 10 0 CCAERO Cc1oncc1CN1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000181687460 544757960 /nfs/dbraw/zinc/75/79/60/544757960.db2.gz NATOLZIXTKNBMK-GHMZBOCLSA-N 1 0 253.346 0.870 10 0 CCAERO C[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)c1nccn1C ZINC000182568293 544763023 /nfs/dbraw/zinc/76/30/23/544763023.db2.gz MPILKVYNUQZRHR-CHWSQXEVSA-N 1 0 266.389 0.918 10 0 CCAERO CCC(C)(C)NC(=O)C[NH2+][C@@H](C(=O)NC)C(C)C ZINC000183676423 544770185 /nfs/dbraw/zinc/77/01/85/544770185.db2.gz STZQKNSCOIIFQW-LLVKDONJSA-N 1 0 257.378 0.651 10 0 CCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cnn(C)c2N)C1 ZINC000185309778 544775721 /nfs/dbraw/zinc/77/57/21/544775721.db2.gz LKUDPHWHNQQTBG-KOLCDFICSA-N 1 0 265.361 0.461 10 0 CCAERO O=S(=O)(CC[C@@H]1CCCO1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177613966 544742633 /nfs/dbraw/zinc/74/26/33/544742633.db2.gz GJFQVIHLYMKFRT-OLZOCXBDSA-N 1 0 288.413 0.665 10 0 CCAERO C[N@@H+]1CCC[C@H]1CNC(=O)NCc1nnc2ccccn21 ZINC000195122771 544810782 /nfs/dbraw/zinc/81/07/82/544810782.db2.gz JJROEOJZYUYJEU-NSHDSACASA-N 1 0 288.355 0.623 10 0 CCAERO CC(C)(C)OC(=O)N1CC(O)([C@@]2(C[NH3+])CCCOC2)C1 ZINC000219043373 544816269 /nfs/dbraw/zinc/81/62/69/544816269.db2.gz UEBBCOMLLKOTMB-CYBMUJFWSA-N 1 0 286.372 0.724 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000226915141 544831387 /nfs/dbraw/zinc/83/13/87/544831387.db2.gz LLAYTGHALZUDFS-RNJOBUHISA-N 1 0 279.384 0.489 10 0 CCAERO CCc1nn(C)cc1CN1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000245947012 544907065 /nfs/dbraw/zinc/90/70/65/544907065.db2.gz VVSVJCMNNAWFMV-QWHCGFSZSA-N 1 0 280.416 0.869 10 0 CCAERO C[C@H]([NH3+])CNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000249156358 544917169 /nfs/dbraw/zinc/91/71/69/544917169.db2.gz WZYUVMZPHBLHHJ-KWBADKCTSA-N 1 0 288.413 0.648 10 0 CCAERO O[C@H](C[NH2+]C[C@H]1CCCC[C@H]1O)Cn1cccn1 ZINC000250191953 544922191 /nfs/dbraw/zinc/92/21/91/544922191.db2.gz WHJJIJPXDRAIFT-JHJVBQTASA-N 1 0 253.346 0.385 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000250643817 544923984 /nfs/dbraw/zinc/92/39/84/544923984.db2.gz INWKMJGNGNCWOI-DRZSPHRISA-N 1 0 279.384 0.631 10 0 CCAERO O=S1(=O)CCC[C@H]([NH2+][C@@H]2CCCCC[C@H]2O)C1 ZINC000251271779 544925920 /nfs/dbraw/zinc/92/59/20/544925920.db2.gz LYIIVULRVZQPPK-QJPTWQEYSA-N 1 0 261.387 0.847 10 0 CCAERO CCN1CCO[C@H](C[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)C1 ZINC000252728064 544931478 /nfs/dbraw/zinc/93/14/78/544931478.db2.gz XOVZKDGWYHPCMT-VNHYZAJKSA-N 1 0 267.417 0.922 10 0 CCAERO CC(=O)N[C@@H]1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000252797786 544931588 /nfs/dbraw/zinc/93/15/88/544931588.db2.gz LHFZAAPKHVXCDH-SDDRHHMPSA-N 1 0 253.346 0.241 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cc(F)c(F)cc1Cl ZINC000262054552 544938064 /nfs/dbraw/zinc/93/80/64/544938064.db2.gz AJYCVOYSEDPQAQ-KSBSHMNSSA-N 1 0 290.697 0.928 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(C2CC2)cn1 ZINC000262055938 544938313 /nfs/dbraw/zinc/93/83/13/544938313.db2.gz ALIABWNIOCZPGH-YPMHNXCESA-N 1 0 261.325 0.269 10 0 CCAERO C[C@H](Oc1ccccc1)C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262119176 544940788 /nfs/dbraw/zinc/94/07/88/544940788.db2.gz FTMKSIKAEKNEQG-GVXVVHGQSA-N 1 0 264.325 0.150 10 0 CCAERO CC[C@H](Oc1ccccc1C)C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262308829 544942666 /nfs/dbraw/zinc/94/26/66/544942666.db2.gz QGEXNNYQPTYEHC-IHRRRGAJSA-N 1 0 292.379 0.849 10 0 CCAERO CCN1CCO[C@@H](C[NH2+][C@H](C)c2ccnn2C)C1 ZINC000300121938 544978991 /nfs/dbraw/zinc/97/89/91/544978991.db2.gz IUVBXKJTEFWAKX-NEPJUHHUSA-N 1 0 252.362 0.791 10 0 CCAERO O=C(NCc1n[nH]cc1Br)[C@@H]1CC[NH2+]C1 ZINC000309912229 545010164 /nfs/dbraw/zinc/01/01/64/545010164.db2.gz NIMJOAPXDJYDTC-ZCFIWIBFSA-N 1 0 273.134 0.398 10 0 CCAERO CCC(=O)N1CSC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000332758876 545032457 /nfs/dbraw/zinc/03/24/57/545032457.db2.gz VMBKXJAAEMXXBC-RYUDHWBXSA-N 1 0 299.440 0.898 10 0 CCAERO C[C@@H](NC(=O)N[C@@H]1CCCNC1=O)C1=CC[N@H+](C)CC1 ZINC000332829444 545034346 /nfs/dbraw/zinc/03/43/46/545034346.db2.gz ATCXZQHLRKHGPJ-ZYHUDNBSSA-N 1 0 280.372 0.215 10 0 CCAERO CNC(=O)[C@H]1CCCN1C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000332861882 545035568 /nfs/dbraw/zinc/03/55/68/545035568.db2.gz DPCTWTHCBAZTLP-OLZOCXBDSA-N 1 0 279.384 0.598 10 0 CCAERO CC(C)[C@@H]1C(=O)NCCN1C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000333696210 545041940 /nfs/dbraw/zinc/04/19/40/545041940.db2.gz QGILCZJZWKZIDG-NWDGAFQWSA-N 1 0 282.388 0.295 10 0 CCAERO C[C@]1(NC(=O)NC[C@@H]2CC[NH2+]C2)CCO[C@H]1C1CC1 ZINC000333725756 545042343 /nfs/dbraw/zinc/04/23/43/545042343.db2.gz VJLJHTNGXSPGLY-OSMZGAPFSA-N 1 0 267.373 0.853 10 0 CCAERO COc1cc(OC)nc(N2C[C@@H](C)[C@](C)(C[NH3+])C2)n1 ZINC000394105533 260022980 /nfs/dbraw/zinc/02/29/80/260022980.db2.gz XSBJDFAIZVIEKX-NOZJJQNGSA-N 1 0 266.345 0.915 10 0 CCAERO CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000126443248 275777429 /nfs/dbraw/zinc/77/74/29/275777429.db2.gz BWEXUKGZUKCIDO-HUUCEWRRSA-N 1 0 287.363 0.438 10 0 CCAERO CC1(C)CC(NC(=O)N2CCNC(=O)CC2)CC(C)(C)[NH2+]1 ZINC000105070729 276100234 /nfs/dbraw/zinc/10/02/34/276100234.db2.gz OBCGUXQYEFTVPQ-UHFFFAOYSA-N 1 0 296.415 0.827 10 0 CCAERO CCC(CC)[C@H](CNC(=O)C1=NNC(=O)CC1)[NH+](C)C ZINC000040435747 276213077 /nfs/dbraw/zinc/21/30/77/276213077.db2.gz CUYWKAOWASBXKT-LBPRGKRZSA-N 1 0 282.388 0.735 10 0 CCAERO C[N@@H+]1CCO[C@H]2CN(c3ncc(C(N)=O)cc3Cl)C[C@@H]21 ZINC000153111095 277131988 /nfs/dbraw/zinc/13/19/88/277131988.db2.gz YQRZNSLOGLVROD-QWRGUYRKSA-N 1 0 296.758 0.353 10 0 CCAERO CC(C)(C)N1C[C@@H](NC(=O)N[C@@H]2CCCC[NH2+]C2)CC1=O ZINC000333484458 277157420 /nfs/dbraw/zinc/15/74/20/277157420.db2.gz BUFSNSIMNRPMTH-NEPJUHHUSA-N 1 0 296.415 0.827 10 0 CCAERO CC(C)(C)NC(=O)C[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000407961438 277166082 /nfs/dbraw/zinc/16/60/82/277166082.db2.gz GFMJRNLSWPRALT-UPJWGTAASA-N 1 0 284.400 0.763 10 0 CCAERO CN1C[C@@H](NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CCC1=O ZINC000162918744 277192818 /nfs/dbraw/zinc/19/28/18/277192818.db2.gz MRTFMCWWBKJQJC-QWHCGFSZSA-N 1 0 294.399 0.487 10 0 CCAERO 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279046601 /nfs/dbraw/zinc/04/66/01/279046601.db2.gz SUGPSIOPDXXSRM-DMDPSCGWSA-N 1 0 255.362 0.995 10 0 CCAERO CC(C)C[C@H](C)OC[C@@H](O)C[NH2+]CCOCCO ZINC000054615241 279116852 /nfs/dbraw/zinc/11/68/52/279116852.db2.gz KYFVXKXISVMYQL-STQMWFEESA-N 1 0 263.378 0.397 10 0 CCAERO C[C@@]1(F)CNCCN(C(=O)C[C@@H]2CCC[NH2+]CC2)C1 ZINC000336221793 279166163 /nfs/dbraw/zinc/16/61/63/279166163.db2.gz HFOHYQFBRNHPSV-TZMCWYRMSA-N 1 0 271.380 0.926 10 0 CCAERO C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253097184 279218152 /nfs/dbraw/zinc/21/81/52/279218152.db2.gz RJDYGYLCWCVERW-KKOKHZNYSA-N 1 0 283.372 0.585 10 0 CCAERO C[C@@H]1C[N@H+](CC(=O)N2C[C@@H](C)C[C@H](C)C2)C[C@H]1C(N)=O ZINC000408048053 288139065 /nfs/dbraw/zinc/13/90/65/288139065.db2.gz KTMIQDATKVWTBI-WUHRBBMRSA-N 1 0 281.400 0.544 10 0 CCAERO C[C@@H]1C[N@H+](CC2CCC3(CC2)OCCO3)C[C@H](C(N)=O)O1 ZINC000190206534 288150709 /nfs/dbraw/zinc/15/07/09/288150709.db2.gz WLDPKXXYDGOPNY-DGCLKSJQSA-N 1 0 298.383 0.494 10 0 CCAERO 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CC[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cccnc2N)C1 ZINC000050660090 521710946 /nfs/dbraw/zinc/71/09/46/521710946.db2.gz PAFJRJBKOOWOFZ-JTQLQIEISA-N 1 0 284.385 0.284 10 0 CCAERO CNC(=O)c1ccc(NC(=O)[C@@H]([NH3+])CCOC)cc1 ZINC000052792036 521843205 /nfs/dbraw/zinc/84/32/05/521843205.db2.gz ZYEJYLCTMUHKME-NSHDSACASA-N 1 0 265.313 0.349 10 0 CCAERO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCC(F)(F)CO ZINC000183923648 522033797 /nfs/dbraw/zinc/03/37/97/522033797.db2.gz BPYGRSJLJFIZQM-LBPRGKRZSA-N 1 0 286.322 0.903 10 0 CCAERO CNS(=O)(=O)c1ccc(OC[C@H]2CCC[NH2+]C2)cc1 ZINC000051883096 522293983 /nfs/dbraw/zinc/29/39/83/522293983.db2.gz QDJZLGKZEBIRMB-NSHDSACASA-N 1 0 284.381 0.973 10 0 CCAERO COC[C@@H]([NH2+]C[C@@H](O)CN1CCCCC1)C1CC1 ZINC000151350323 522355610 /nfs/dbraw/zinc/35/56/10/522355610.db2.gz HFTHFAARUYHEQW-ZIAGYGMSSA-N 1 0 256.390 0.848 10 0 CCAERO C[NH2+][C@H](C)CNS(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000261796174 522440146 /nfs/dbraw/zinc/44/01/46/522440146.db2.gz QUQHPSQQIVRANP-SECBINFHSA-N 1 0 296.348 0.679 10 0 CCAERO C[NH2+][C@H](c1ccc2[nH]c(=O)oc2c1)[C@H]1COCCO1 ZINC000055299662 522482431 /nfs/dbraw/zinc/48/24/31/522482431.db2.gz NEHDBZXJIGKTCI-VXGBXAGGSA-N 1 0 264.281 0.797 10 0 CCAERO COC[C@H](C)NC(=O)C[NH2+][C@@H](C)Cn1ccnc1 ZINC000049291047 522603232 /nfs/dbraw/zinc/60/32/32/522603232.db2.gz RLVWUGGMAJLRAP-QWRGUYRKSA-N 1 0 254.334 0.012 10 0 CCAERO CN(CC[NH3+])S(=O)(=O)c1ccc(F)c(F)c1F ZINC000054418054 522819472 /nfs/dbraw/zinc/81/94/72/522819472.db2.gz WBPJSIURWNNTHS-UHFFFAOYSA-N 1 0 268.260 0.683 10 0 CCAERO CCn1c(S[C@H]([C@@H](C)[NH3+])C(F)(F)F)n[nH]c1=O ZINC000061594469 523246467 /nfs/dbraw/zinc/24/64/67/523246467.db2.gz UTHYIMVTUZKKFW-RFZPGFLSSA-N 1 0 270.280 0.962 10 0 CCAERO CC[C@H]1COCCN1S(=O)(=O)C1CC[NH2+]CC1 ZINC000049643873 523336779 /nfs/dbraw/zinc/33/67/79/523336779.db2.gz PCVKZYAWNOZJMH-JTQLQIEISA-N 1 0 262.375 0.179 10 0 CCAERO COC(=O)[C@@H](CC[N@H+](C)C1CCOCC1)NC1CC1 ZINC000062450599 523572424 /nfs/dbraw/zinc/57/24/24/523572424.db2.gz 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O[C@@H]1C[NH2+]C[C@H]1CNCc1ccc2c(c1)OCCO2 ZINC000263240588 137061106 /nfs/dbraw/zinc/06/11/06/137061106.db2.gz OMRBIVZSGDOUFG-VXGBXAGGSA-N 1 0 264.325 0.128 10 0 CCAERO CCC(CC)N1C(=O)C[C@@H]([NH2+]C[C@@H]2CCOC2)C1=O ZINC000103706405 185855708 /nfs/dbraw/zinc/85/57/08/185855708.db2.gz VVNPDMMYNDHDLS-CMPLNLGQSA-N 1 0 268.357 0.929 10 0 CCAERO CO[C@@H]1C[C@H](CO)[N@H+](Cc2ccc(CO)cc2)C1 ZINC000344844580 137216843 /nfs/dbraw/zinc/21/68/43/137216843.db2.gz BIYMCGRLVDLEPV-ZIAGYGMSSA-N 1 0 251.326 0.761 10 0 CCAERO CO[C@@H]1C[C@H](CO)N(CC[NH+]2CCC(C)CC2)C1 ZINC000344673062 137207042 /nfs/dbraw/zinc/20/70/42/137207042.db2.gz HUGSXLADVHHULA-ZIAGYGMSSA-N 1 0 256.390 0.800 10 0 CCAERO CCn1nccc1CC[N@@H+]1C[C@H](OC)C[C@H]1CO ZINC000344669371 137207234 /nfs/dbraw/zinc/20/72/34/137207234.db2.gz CEVNKZJLWNUDMO-QWHCGFSZSA-N 1 0 253.346 0.527 10 0 CCAERO CCC[C@H]([NH3+])C(=O)NC1CCN(C(=O)OCC)CC1 ZINC000036873022 348174255 /nfs/dbraw/zinc/17/42/55/348174255.db2.gz MGJGZMVIJYKSCQ-NSHDSACASA-N 1 0 271.361 0.851 10 0 CCAERO O=C(Nc1cccc(N2CCCC2)c1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000037766368 348201982 /nfs/dbraw/zinc/20/19/82/348201982.db2.gz PRDNMDAWDIAAFI-ZIAGYGMSSA-N 1 0 275.352 0.948 10 0 CCAERO C=CCNc1nc(NCC=C)nc(N2CC[NH2+]CC2)n1 ZINC000039434982 348230158 /nfs/dbraw/zinc/23/01/58/348230158.db2.gz FNVNGOUAGLMNNB-UHFFFAOYSA-N 1 0 275.360 0.477 10 0 CCAERO CN1C[C@H](C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)CC1=O ZINC000046170451 348352033 /nfs/dbraw/zinc/35/20/33/348352033.db2.gz AGIJWUWRQZFQRJ-KGLIPLIRSA-N 1 0 289.379 0.884 10 0 CCAERO C[NH+](C)C[C@@H]1CN(CC[C@@H]2CCOC2=O)CCO1 ZINC000120498440 349989279 /nfs/dbraw/zinc/98/92/79/349989279.db2.gz HSZPCKYCVIWYTQ-VXGBXAGGSA-N 1 0 256.346 0.202 10 0 CCAERO C[NH2+][C@H](C)C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000054073050 348540190 /nfs/dbraw/zinc/54/01/90/348540190.db2.gz BZKLQXSFAUKHNC-SSDOTTSWSA-N 1 0 257.315 0.032 10 0 CCAERO COCCN(CCOC)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054291228 348547963 /nfs/dbraw/zinc/54/79/63/348547963.db2.gz OYXYREVOXYAMNX-LBPRGKRZSA-N 1 0 258.362 0.498 10 0 CCAERO CC[C@@H](C)NC(=O)CCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054292288 348547989 /nfs/dbraw/zinc/54/79/89/348547989.db2.gz XDANQUFHYUIEOU-VXGBXAGGSA-N 1 0 269.389 0.797 10 0 CCAERO CCNC(=O)CN(CC)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054291778 348548033 /nfs/dbraw/zinc/54/80/33/348548033.db2.gz ASNLDKQDWDBVNG-NSHDSACASA-N 1 0 255.362 0.361 10 0 CCAERO O=C1CCC(=O)N1CC[N@H+]1CCC[C@@H]1CCCO ZINC000052762183 348514757 /nfs/dbraw/zinc/51/47/57/348514757.db2.gz KVJBPFLZLFMZLU-LLVKDONJSA-N 1 0 254.330 0.372 10 0 CCAERO CC[C@@]1(C(=O)Nc2cccc(-n3cnnn3)c2)CC[NH2+]C1 ZINC000062892163 348671265 /nfs/dbraw/zinc/67/12/65/348671265.db2.gz GBSAVYKDDUHQCI-CQSZACIVSA-N 1 0 286.339 0.991 10 0 CCAERO CCOC(=O)N1CCC[C@H](CN2CC[NH2+]CC2)C1 ZINC000058827400 348631681 /nfs/dbraw/zinc/63/16/81/348631681.db2.gz SYRQTUZVGSUFQH-GFCCVEGCSA-N 1 0 255.362 0.760 10 0 CCAERO C[C@H]1CCN(CCN2C(=O)c3ccccc3C2=O)C[C@@H]1[NH3+] ZINC000070147031 348873695 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CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@@H]1[NH3+] ZINC000090212455 349429766 /nfs/dbraw/zinc/42/97/66/349429766.db2.gz GQJOKDVZCWTBHR-PMMQCXHCSA-N 1 0 281.308 0.160 10 0 CCAERO CCOC(=O)C[C@H](C)CNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000120775313 350005379 /nfs/dbraw/zinc/00/53/79/350005379.db2.gz TURKVKLDLTUVHF-NWDGAFQWSA-N 1 0 285.388 0.921 10 0 CCAERO COCC[NH2+]C[C@@H]1CCCCN1C[C@@H]1CNC(=O)O1 ZINC000104417281 185994190 /nfs/dbraw/zinc/99/41/90/185994190.db2.gz KVGRGZJDCUOIED-RYUDHWBXSA-N 1 0 271.361 0.185 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)NCCCNC(=O)C(C)C)C1 ZINC000127105515 350161053 /nfs/dbraw/zinc/16/10/53/350161053.db2.gz NWKDYWUBQQFCTB-ZDUSSCGKSA-N 1 0 298.431 0.932 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C1(C(=O)OC)CC1 ZINC000128664029 350196681 /nfs/dbraw/zinc/19/66/81/350196681.db2.gz IUZGFCXNPXTORB-NSHDSACASA-N 1 0 268.357 0.882 10 0 CCAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)CN2CCCCC2=O)C1 ZINC000128392912 350191497 /nfs/dbraw/zinc/19/14/97/350191497.db2.gz 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DICGFZRCQYAJFR-JTQLQIEISA-N 1 0 274.328 0.209 10 0 CCAERO CCOc1cc(N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)ncn1 ZINC000408026237 357873882 /nfs/dbraw/zinc/87/38/82/357873882.db2.gz GOOBRUQTIQQFMZ-RYUDHWBXSA-N 1 0 278.356 0.785 10 0 CCAERO COCCc1nsc(N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)n1 ZINC000408030653 357875821 /nfs/dbraw/zinc/87/58/21/357875821.db2.gz MMGUNGMKFRCASS-GHMZBOCLSA-N 1 0 298.412 0.636 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCC[C@H]2C(=O)NC)C1 ZINC000408040292 357881824 /nfs/dbraw/zinc/88/18/24/357881824.db2.gz AAKMADLHDOPXIX-XQQFMLRXSA-N 1 0 296.415 0.685 10 0 CCAERO CO[C@H]1C[C@@H](C(=O)Nc2c(C)nn(C)c2C)N(C)C1 ZINC000408046825 357886497 /nfs/dbraw/zinc/88/64/97/357886497.db2.gz YHRVCSDMIJKVDN-QWRGUYRKSA-N 1 0 266.345 0.695 10 0 CCAERO Cc1c[nH]cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1=O ZINC000408135611 357933522 /nfs/dbraw/zinc/93/35/22/357933522.db2.gz YLVJQUYHTGOVIO-RYUDHWBXSA-N 1 0 275.352 0.992 10 0 CCAERO CCNC(=O)NC(=O)CN1[C@H](C)C[NH+](CC)C[C@H]1C ZINC000408200099 357966378 /nfs/dbraw/zinc/96/63/78/357966378.db2.gz ZMHJSHWWTUJNMR-GHMZBOCLSA-N 1 0 270.377 0.247 10 0 CCAERO C[NH+](C)[C@H]1CCN(S(=O)(=O)NC2CCCC2)C1 ZINC000408203292 357968440 /nfs/dbraw/zinc/96/84/40/357968440.db2.gz CJWRVFHTKOLMPW-NSHDSACASA-N 1 0 261.391 0.399 10 0 CCAERO CC[C@@H]1C[C@H](C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC(=O)N1 ZINC000408208220 357972158 /nfs/dbraw/zinc/97/21/58/357972158.db2.gz ZKCZAQOVQXYTDS-XQHKEYJVSA-N 1 0 281.400 0.890 10 0 CCAERO CNC(=O)[C@H]1CCCCN1C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000408213205 357974597 /nfs/dbraw/zinc/97/45/97/357974597.db2.gz FEBDKMJOVDEACJ-ZIAGYGMSSA-N 1 0 293.411 0.988 10 0 CCAERO CC(=O)N[C@@H]1CCCN(c2ccnc(N(C)C)n2)C1 ZINC000408217498 357976302 /nfs/dbraw/zinc/97/63/02/357976302.db2.gz FHZXLEOTHLGRKY-LLVKDONJSA-N 1 0 263.345 0.648 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCC[C@H]2O)C1 ZINC000408251995 357993414 /nfs/dbraw/zinc/99/34/14/357993414.db2.gz KPDQGQJJZSAIFC-FRRDWIJNSA-N 1 0 269.389 0.931 10 0 CCAERO CO[C@H]1C[C@H](C(=O)N2CC[C@H](C[NH+](C)C)C2)N(C(C)=O)C1 ZINC000408274734 358003588 /nfs/dbraw/zinc/00/35/88/358003588.db2.gz NWFMFEYUVQZNKJ-HZSPNIEDSA-N 1 0 297.399 0.032 10 0 CCAERO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@H]32)C1 ZINC000408289997 358012520 /nfs/dbraw/zinc/01/25/20/358012520.db2.gz HCMDNZMDQHOBAM-BFHYXJOUSA-N 1 0 279.384 0.598 10 0 CCAERO CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@H]1CCCC[C@@H]1CO ZINC000408326315 358036245 /nfs/dbraw/zinc/03/62/45/358036245.db2.gz LFNPWBXHKAXKKD-MCIONIFRSA-N 1 0 298.431 0.083 10 0 CCAERO C[C@H]1OCC[C@@H]1[N@H+](CCO)CC1CCS(=O)(=O)CC1 ZINC000408349181 358045591 /nfs/dbraw/zinc/04/55/91/358045591.db2.gz NEUVOCVWRSQDLV-YPMHNXCESA-N 1 0 291.413 0.283 10 0 CCAERO CCCNS(=O)(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000408362937 358053643 /nfs/dbraw/zinc/05/36/43/358053643.db2.gz SBZGZJHAJMFOMG-VXGBXAGGSA-N 1 0 293.433 0.008 10 0 CCAERO C[C@H](CC[NH+](C)C)NS(=O)(=O)NC1CCCC1 ZINC000408379571 358063079 /nfs/dbraw/zinc/06/30/79/358063079.db2.gz MGLDAKBNBWOQFT-SNVBAGLBSA-N 1 0 263.407 0.693 10 0 CCAERO [NH3+]Cc1c2c(nn1CC1CC1)CCS(=O)(=O)C2 ZINC000409440064 358112978 /nfs/dbraw/zinc/11/29/78/358112978.db2.gz RMVZVWHLUZGQLB-UHFFFAOYSA-N 1 0 255.343 0.223 10 0 CCAERO CCOC1(C(F)(F)F)CN(C(=O)C2C[NH2+]C2)C1 ZINC000409435985 358113033 /nfs/dbraw/zinc/11/30/33/358113033.db2.gz XPHFESSAFHPDCY-UHFFFAOYSA-N 1 0 252.236 0.386 10 0 CCAERO O=C1NC(=O)[C@@]2(CCC[N@H+](C/C=C\c3ccncc3)C2)N1 ZINC000427310905 358219187 /nfs/dbraw/zinc/21/91/87/358219187.db2.gz PJBUWCZTCFCTSW-BGGTVIOKSA-N 1 0 286.335 0.769 10 0 CCAERO NC(=O)[C@@H]1CC[C@@H](C(=O)N2CCN3CCCC[C@@H]3C2)O1 ZINC000329239927 202249076 /nfs/dbraw/zinc/24/90/76/202249076.db2.gz MHIIPHUMAMXQDD-WOPDTQHZSA-N 1 0 281.356 0.766 10 0 CCAERO NC(=O)[C@]1(O)CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000284722685 283362021 /nfs/dbraw/zinc/36/20/21/283362021.db2.gz BVEKEBMEVOQBFB-ZDUSSCGKSA-N 1 0 252.289 0.638 10 0 CCAERO NC(=O)c1cncc(N2CC[N@@H+]3CCCC[C@H]3C2)n1 ZINC000301547292 283389339 /nfs/dbraw/zinc/38/93/39/283389339.db2.gz XEFFIHXQQMPQDK-JTQLQIEISA-N 1 0 261.329 0.250 10 0 CCAERO CC(C)n1nnnc1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000570046043 358816813 /nfs/dbraw/zinc/81/68/13/358816813.db2.gz PZOQHBONDOUAGM-GFCCVEGCSA-N 1 0 250.350 0.439 10 0 CCAERO CCC[C@H]([NH3+])C(=O)N(CCC(=O)OC)C[C@@H]1CCCO1 ZINC000571088802 358910664 /nfs/dbraw/zinc/91/06/64/358910664.db2.gz RFFRBGBIZPOOHH-RYUDHWBXSA-N 1 0 286.372 0.685 10 0 CCAERO NC(=O)c1ccc([C@H]2C[NH2+]C[C@H](CO)C2)c2cc[nH]c21 ZINC000584619361 359181186 /nfs/dbraw/zinc/18/11/86/359181186.db2.gz LLXIXTPCZSGGRB-NXEZZACHSA-N 1 0 273.336 0.952 10 0 CCAERO COc1cc(CC2=[NH+]CCNN2)cc(OC)c1OC ZINC000584614382 359181494 /nfs/dbraw/zinc/18/14/94/359181494.db2.gz SBVIRMPIARAJBW-UHFFFAOYSA-N 1 0 265.313 0.761 10 0 CCAERO CC(C)NC(=O)c1c[nH]c2ncc(N3CC[NH2+]CC3)nc12 ZINC000584638722 359185168 /nfs/dbraw/zinc/18/51/68/359185168.db2.gz GKJHNKVFJPVTQL-UHFFFAOYSA-N 1 0 288.355 0.506 10 0 CCAERO CCSCC[C@H](C)NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000591615325 359612923 /nfs/dbraw/zinc/61/29/23/359612923.db2.gz YRQXCTXEZYSWHC-WDEREUQCSA-N 1 0 260.403 0.870 10 0 CCAERO C[N@H+](CCc1nnnn1-c1ccccc1)[C@H]1CCOC1 ZINC000329286367 202268259 /nfs/dbraw/zinc/26/82/59/202268259.db2.gz MCILDQAJJNMINW-ZDUSSCGKSA-N 1 0 273.340 0.926 10 0 CCAERO C[C@H](C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)n1cncn1 ZINC000329427769 202332240 /nfs/dbraw/zinc/33/22/40/202332240.db2.gz JHKJHQCRAKFREL-WOPDTQHZSA-N 1 0 263.345 0.392 10 0 CCAERO COC(=O)[C@@H](C(OC)OC)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248843706 291211489 /nfs/dbraw/zinc/21/14/89/291211489.db2.gz SDSZYUBZRRQICN-RYUDHWBXSA-N 1 0 286.372 0.317 10 0 CCAERO COC(=O)[C@@H]1CCCN(C(=O)C[C@@H]2CSCC[NH2+]2)C1 ZINC000593911436 360207361 /nfs/dbraw/zinc/20/73/61/360207361.db2.gz DKMMJSADRIVLSW-GHMZBOCLSA-N 1 0 286.397 0.493 10 0 CCAERO COC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000593912014 360208291 /nfs/dbraw/zinc/20/82/91/360208291.db2.gz RTNOETLPQYUDTL-QJPTWQEYSA-N 1 0 268.357 0.773 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(C)on1 ZINC000177040662 189023450 /nfs/dbraw/zinc/02/34/50/189023450.db2.gz HVDKPHFTXTWKDQ-LLVKDONJSA-N 1 0 294.355 0.864 10 0 CCAERO CCC[C@@H](NC(N)=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262598037 283555789 /nfs/dbraw/zinc/55/57/89/283555789.db2.gz MGRVZYFOENRHDM-OUAUKWLOSA-N 1 0 268.361 0.176 10 0 CCAERO COc1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)cc1F ZINC000179184183 189176015 /nfs/dbraw/zinc/17/60/15/189176015.db2.gz BGKLJKZWXHVERS-MNOVXSKESA-N 1 0 255.289 0.762 10 0 CCAERO Cc1c(CCC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cnn1C ZINC000179342774 189187133 /nfs/dbraw/zinc/18/71/33/189187133.db2.gz SGIWAGFTXDDXOA-AWEZNQCLSA-N 1 0 276.384 0.968 10 0 CCAERO Nc1c(-n2cccn2)ncnc1N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000333496148 283649054 /nfs/dbraw/zinc/64/90/54/283649054.db2.gz HILIPXXPOVZSOR-QJPTWQEYSA-N 1 0 299.382 0.808 10 0 CCAERO CCc1ncnc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1F ZINC000301969309 201281524 /nfs/dbraw/zinc/28/15/24/201281524.db2.gz QEGBXZKPXZSVER-MNOVXSKESA-N 1 0 266.320 0.697 10 0 CCAERO C[C@@H]1CN(S(=O)(=O)N2CCC(C)CC2)C[C@@H]1C[NH3+] ZINC000631968543 370796436 /nfs/dbraw/zinc/79/64/36/370796436.db2.gz VOFAPBZVYXMITI-NEPJUHHUSA-N 1 0 275.418 0.490 10 0 CCAERO C[C@@H]1CN(S(=O)(=O)c2cncc(F)c2)C[C@@H]1C[NH3+] ZINC000631967751 370796897 /nfs/dbraw/zinc/79/68/97/370796897.db2.gz MLRYCZSDYZGSHT-BDAKNGLRSA-N 1 0 273.333 0.436 10 0 CCAERO C[NH+](C)[C@H]1COCCN(CCNC(=O)OC(C)(C)C)C1 ZINC000616663642 365415069 /nfs/dbraw/zinc/41/50/69/365415069.db2.gz MGMBTCWGWYDCAP-GFCCVEGCSA-N 1 0 287.404 0.774 10 0 CCAERO NS(=O)(=O)N1CC[NH2+]C[C@@H]1c1ccc2ccncc2c1 ZINC000616635130 365394144 /nfs/dbraw/zinc/39/41/44/365394144.db2.gz BNUKKEMAYGXCBP-CYBMUJFWSA-N 1 0 292.364 0.385 10 0 CCAERO OCCc1ccc([C@@H]2C[NH2+]CCN2CCO)cc1 ZINC000616636635 365397569 /nfs/dbraw/zinc/39/75/69/365397569.db2.gz XKLZIFFXJFUBGA-AWEZNQCLSA-N 1 0 250.342 0.160 10 0 CCAERO [NH3+]CCN1CCO[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC000616645703 365403583 /nfs/dbraw/zinc/40/35/83/365403583.db2.gz GLSYTPNDSUKOAX-LBPRGKRZSA-N 1 0 270.354 0.077 10 0 CCAERO OCCN1CC[NH2+][C@@H](c2cc3ccccc3nn2)C1 ZINC000616656973 365411295 /nfs/dbraw/zinc/41/12/95/365411295.db2.gz WITIGMRGNAXXDS-CQSZACIVSA-N 1 0 258.325 0.568 10 0 CCAERO [NH3+]CCN1CCOC[C@@H](c2ccccc2CO)C1 ZINC000616599498 365379748 /nfs/dbraw/zinc/37/97/48/365379748.db2.gz ZRXIVJZNVNMBLY-ZDUSSCGKSA-N 1 0 250.342 0.553 10 0 CCAERO COc1ccc(NC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000623066325 367432686 /nfs/dbraw/zinc/43/26/86/367432686.db2.gz DTYZEJSBIGRAIB-SKDRFNHKSA-N 1 0 265.313 0.397 10 0 CCAERO COc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2O)c(OC)c1 ZINC000623763899 367648592 /nfs/dbraw/zinc/64/85/92/367648592.db2.gz VQTYRLAKGRMAOO-OLZOCXBDSA-N 1 0 267.325 0.943 10 0 CCAERO CC(C)(C)n1cc(C[NH2+][C@@H]2CCOC[C@@H]2O)nn1 ZINC000623766964 367653258 /nfs/dbraw/zinc/65/32/58/367653258.db2.gz OENCBHRNIMDMEO-MNOVXSKESA-N 1 0 254.334 0.273 10 0 CCAERO O=C([C@H]1CCCN(C(=O)C2C[NH2+]C2)C1)N1CCCC1 ZINC000336392024 213248906 /nfs/dbraw/zinc/24/89/06/213248906.db2.gz XBMKIBUSIUTIFC-NSHDSACASA-N 1 0 265.357 0.067 10 0 CCAERO COc1cc(C[NH2+][C@@H]2CCOC[C@@H]2O)cc(OC)c1O ZINC000628467575 369271953 /nfs/dbraw/zinc/27/19/53/369271953.db2.gz YVRXLRIWHTYZEM-MNOVXSKESA-N 1 0 283.324 0.649 10 0 CCAERO COC(=O)[C@@](C)(O)C[N@H+](C)[C@H](C)c1cnn(C)c1 ZINC000330847637 203307104 /nfs/dbraw/zinc/30/71/04/203307104.db2.gz ONRVCOYCONGOIZ-SKDRFNHKSA-N 1 0 255.318 0.337 10 0 CCAERO CC(=O)NCC1CCN(C(=O)[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000226322604 189772579 /nfs/dbraw/zinc/77/25/79/189772579.db2.gz CHVLQHGTVDSYPK-CHWSQXEVSA-N 1 0 267.373 0.489 10 0 CCAERO CCn1c(C)nnc1CN(C)CCOCC[NH2+]C ZINC000629570089 369713395 /nfs/dbraw/zinc/71/33/95/369713395.db2.gz HKRGOKAHCVUJHY-UHFFFAOYSA-N 1 0 255.366 0.274 10 0 CCAERO Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCOC[C@@H]2O)cc1 ZINC000629610352 369740217 /nfs/dbraw/zinc/74/02/17/369740217.db2.gz MJQBJUOYMDSJFM-SNPRPXQTSA-N 1 0 281.352 0.474 10 0 CCAERO C[NH2+]CCOCCN(C)Cc1c(C)nn(C)c1OC 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CCAERO Cn1ncc(NCC2([NH3+])CCOCC2)c(Cl)c1=O ZINC000630525548 370145667 /nfs/dbraw/zinc/14/56/67/370145667.db2.gz GPNUGGVJLLUTPQ-UHFFFAOYSA-N 1 0 272.736 0.354 10 0 CCAERO Cn1nnnc1N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000630525242 370145794 /nfs/dbraw/zinc/14/57/94/370145794.db2.gz CIXBLHDZNFCBMY-RNFRBKRXSA-N 1 0 264.255 0.174 10 0 CCAERO CCOc1cc(N(C)CCOCC[NH2+]C)ncn1 ZINC000630530704 370149924 /nfs/dbraw/zinc/14/99/24/370149924.db2.gz NIENOEKPINBLQP-UHFFFAOYSA-N 1 0 254.334 0.548 10 0 CCAERO COCCOCCCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634736358 372179934 /nfs/dbraw/zinc/17/99/34/372179934.db2.gz JZVVFDWOZUMIFT-JSGCOSHPSA-N 1 0 270.373 0.545 10 0 CCAERO O=C(NCCCn1ccnc1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634762580 372209229 /nfs/dbraw/zinc/20/92/29/372209229.db2.gz BCOAPCRIAFUXNQ-JSGCOSHPSA-N 1 0 262.357 0.779 10 0 CCAERO Cc1nccn1CCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634766646 372214385 /nfs/dbraw/zinc/21/43/85/372214385.db2.gz PHWUMWQYUSYIDK-JSGCOSHPSA-N 1 0 262.357 0.697 10 0 CCAERO 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CC(C)C[C@@H]([NH3+])C(=O)N[C@H]1CCN(C2CCC2)C1=O ZINC000638797961 375371076 /nfs/dbraw/zinc/37/10/76/375371076.db2.gz XWCYNRBLVKURMS-NEPJUHHUSA-N 1 0 267.373 0.629 10 0 CCAERO CC(=O)NCCCCCC(=O)N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000638884198 375423867 /nfs/dbraw/zinc/42/38/67/375423867.db2.gz BGRXMMUXBRURTA-AAEUAGOBSA-N 1 0 269.389 0.736 10 0 CCAERO C[C@@H]1CN(C(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)C[C@@H]1C[NH3+] ZINC000638889406 375429162 /nfs/dbraw/zinc/42/91/62/375429162.db2.gz URQKLFMEXVVMCG-ZHPDPMBESA-N 1 0 297.424 0.494 10 0 CCAERO C[C@H](NC(=O)C(C)(C)C)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638891118 375429561 /nfs/dbraw/zinc/42/95/61/375429561.db2.gz SPZKEJULPOTBSB-OUAUKWLOSA-N 1 0 269.389 0.590 10 0 CCAERO Cc1cc(C)n(CC(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000638893090 375431673 /nfs/dbraw/zinc/43/16/73/375431673.db2.gz KXFHHFCTNREONU-SKDRFNHKSA-N 1 0 250.346 0.553 10 0 CCAERO C[C@H]1CN(C(=O)CCOCC(F)F)C[C@@H]1C[NH3+] ZINC000638898162 375435717 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265.357 0.256 10 0 CCAERO CC[C@@H]1C[C@H]([NH2+]C[C@H](O)CN2CCCCC2)CO1 ZINC000657325031 412960826 /nfs/dbraw/zinc/96/08/26/412960826.db2.gz FMTJYHXPOZKWAY-MELADBBJSA-N 1 0 256.390 0.990 10 0 CCAERO C[C@@H]1[C@H](C)SCC[N@@H+]1CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000246422305 285019135 /nfs/dbraw/zinc/01/91/35/285019135.db2.gz RVJLEJKCTRDJKV-GRYCIOLGSA-N 1 0 299.440 0.536 10 0 CCAERO CC(=O)N1CC[C@H](C(=O)NCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000246490318 285022331 /nfs/dbraw/zinc/02/23/31/285022331.db2.gz QYEFXJGHEQNZJS-JSGCOSHPSA-N 1 0 281.400 0.703 10 0 CCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CCOC2)C1 ZINC000246629352 285027756 /nfs/dbraw/zinc/02/77/56/285027756.db2.gz IYXTVURSBDXJCU-WOPDTQHZSA-N 1 0 255.362 0.803 10 0 CCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CCn2ccnn2)C1 ZINC000247364535 285048806 /nfs/dbraw/zinc/04/88/06/285048806.db2.gz OTFVVCXKAYZEMC-NWDGAFQWSA-N 1 0 265.361 0.513 10 0 CCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CCOCC2)C[C@@H]1C ZINC000247546111 285054086 /nfs/dbraw/zinc/05/40/86/285054086.db2.gz QMXICGOHWSEQDE-RYUDHWBXSA-N 1 0 285.388 0.262 10 0 CCAERO COCCN1[C@@H](C)CN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@@H]1C ZINC000188974550 285063551 /nfs/dbraw/zinc/06/35/51/285063551.db2.gz PXQLOCSARHKUGR-ZDEQEGDKSA-N 1 0 287.379 0.254 10 0 CCAERO O=S1(=O)CC[C@@H](C[N@@H+]2CCC[C@H](n3cccn3)C2)C1 ZINC000333000210 285064875 /nfs/dbraw/zinc/06/48/75/285064875.db2.gz CQFOYUCODBYYOU-STQMWFEESA-N 1 0 283.397 0.955 10 0 CCAERO CCCCOC[C@H](O)CN1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248645334 285072858 /nfs/dbraw/zinc/07/28/58/285072858.db2.gz GHUBCULHZFPNLU-QLFBSQMISA-N 1 0 288.432 0.551 10 0 CCAERO O=S1(=O)N=C(N[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000071397709 285074107 /nfs/dbraw/zinc/07/41/07/285074107.db2.gz VKMSXHQWGTYIMG-VIFPVBQESA-N 1 0 265.338 0.477 10 0 CCAERO CC[C@@H]1CN(C(=O)[C@@H]2CCOC[C@H]2C)CC[N@@H+]1C[C@@H](C)O ZINC000248738322 285078388 /nfs/dbraw/zinc/07/83/88/285078388.db2.gz COCXWQQVJMFTTG-KBUPBQIOSA-N 1 0 298.427 0.963 10 0 CCAERO 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HENXFPUFNFDHJE-LSDHHAIUSA-N 1 0 262.353 0.910 10 0 CCAERO O=S(=O)(C[C@H]1CCC[NH2+]1)c1ccc(Cl)nn1 ZINC000095069936 184932012 /nfs/dbraw/zinc/93/20/12/184932012.db2.gz HXJTWYCNDKRQQI-SSDOTTSWSA-N 1 0 261.734 0.656 10 0 CCAERO C[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc(C)nn2)C1 ZINC000095071469 184932532 /nfs/dbraw/zinc/93/25/32/184932532.db2.gz GSZDREKOIHNFIZ-JTQLQIEISA-N 1 0 270.358 0.158 10 0 CCAERO C[C@@H]([NH3+])CCNC(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC000647741413 390155672 /nfs/dbraw/zinc/15/56/72/390155672.db2.gz GOYMRKXQXSMWSX-KOLCDFICSA-N 1 0 253.346 0.241 10 0 CCAERO O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1C[NH2+]CCC1(F)F ZINC000647980247 390238154 /nfs/dbraw/zinc/23/81/54/390238154.db2.gz STQGWGVFCCSIPC-BBBLOLIVSA-N 1 0 262.300 0.651 10 0 CCAERO CO[C@@H]1C[NH2+][C@H](C(=O)NCc2nccn2CC(C)C)C1 ZINC000583618165 390299644 /nfs/dbraw/zinc/29/96/44/390299644.db2.gz HHEYZZILSRMCAG-RYUDHWBXSA-N 1 0 280.372 0.532 10 0 CCAERO C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCN1c1ncccn1 ZINC000648131485 390300835 /nfs/dbraw/zinc/30/08/35/390300835.db2.gz WZXIOOLVGXUTCJ-QWRGUYRKSA-N 1 0 263.345 0.170 10 0 CCAERO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)C2CC2)C[C@H]1[NH3+] ZINC000648176737 390330196 /nfs/dbraw/zinc/33/01/96/390330196.db2.gz KZSINEMBQNYZCS-JLLWLGSASA-N 1 0 265.357 0.193 10 0 CCAERO CC1(C)C[NH2+][C@@H]1C(=O)N1CCN2CCCC[C@H]2C1 ZINC000645781483 390493667 /nfs/dbraw/zinc/49/36/67/390493667.db2.gz PZDPSPPZCUPQJA-NWDGAFQWSA-N 1 0 251.374 0.681 10 0 CCAERO COC[C@@H]1CCCN(C(=O)[C@]2(COC)CCC[NH2+]2)C1 ZINC000643689878 390501658 /nfs/dbraw/zinc/50/16/58/390501658.db2.gz SSJWQPSQVMJMIV-TZMCWYRMSA-N 1 0 270.373 0.640 10 0 CCAERO CC[C@H]1CN(C(=O)[C@H]2C[NH2+]CCOC2)CCS1 ZINC000643706157 390507328 /nfs/dbraw/zinc/50/73/28/390507328.db2.gz NNXTVVUXDHAONX-QWRGUYRKSA-N 1 0 258.387 0.576 10 0 CCAERO CCS(=O)(=O)NCC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000151305593 581562824 /nfs/dbraw/zinc/56/28/24/581562824.db2.gz DISPLHWJNPQBRM-LLVKDONJSA-N 1 0 293.433 0.018 10 0 CCAERO CCc1nnc(NC(=O)[C@]2(COC)CCC[NH2+]2)s1 ZINC000643616306 390471385 /nfs/dbraw/zinc/47/13/85/390471385.db2.gz QYFYNUYXVWHYQS-LLVKDONJSA-N 1 0 270.358 0.808 10 0 CCAERO O=C(NCc1ccccc1F)[C@@H]1C[NH2+]CCOC1 ZINC000643617917 390472507 /nfs/dbraw/zinc/47/25/07/390472507.db2.gz UBCFSHWACNSIQV-LLVKDONJSA-N 1 0 252.289 0.678 10 0 CCAERO O=C(N[C@H]1CCc2ccccc2C1)[C@H]1C[NH2+]CCOC1 ZINC000643621060 390475989 /nfs/dbraw/zinc/47/59/89/390475989.db2.gz XOEINIFTSVKRON-GJZGRUSLSA-N 1 0 274.364 0.896 10 0 CCAERO O=C([C@H]1CCC[NH2+]C1)N1CCO[C@@H](C(F)(F)F)C1 ZINC000646054321 390586220 /nfs/dbraw/zinc/58/62/20/390586220.db2.gz SBTPPJYCOPSYEW-DTWKUNHWSA-N 1 0 266.263 0.776 10 0 CCAERO CO[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH2+]CCOC2)C1(C)C ZINC000643728489 390519786 /nfs/dbraw/zinc/51/97/86/390519786.db2.gz DELKKFQRHMETTM-GMTAPVOTSA-N 1 0 256.346 0.152 10 0 CCAERO COC[C@H](NC(=O)[C@@]1(COC)CCC[NH2+]1)C1CC1 ZINC000643767799 390537995 /nfs/dbraw/zinc/53/79/95/390537995.db2.gz AUIPRXIEBPSEES-AAEUAGOBSA-N 1 0 256.346 0.296 10 0 CCAERO COC[C@]1(C(=O)NCCc2ccccn2)CCC[NH2+]1 ZINC000649276518 390543846 /nfs/dbraw/zinc/54/38/46/390543846.db2.gz FFLRFOYMNATRGH-AWEZNQCLSA-N 1 0 263.341 0.509 10 0 CCAERO COC[C@]1(C(=O)N2CCO[C@H](C(C)C)C2)CCC[NH2+]1 ZINC000643780431 390545883 /nfs/dbraw/zinc/54/58/83/390545883.db2.gz IKYZRCGFDLTGFF-JSGCOSHPSA-N 1 0 270.373 0.638 10 0 CCAERO COCCC1(C(=O)N[C@@H]2CCOC2)CC[NH2+]CC1 ZINC000643781447 390547528 /nfs/dbraw/zinc/54/75/28/390547528.db2.gz XXMIUBUDBSYZAW-LLVKDONJSA-N 1 0 256.346 0.298 10 0 CCAERO CC(C)c1nn(C)cc1NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000643791778 390552696 /nfs/dbraw/zinc/55/26/96/390552696.db2.gz MBPKRPFZRIJWFU-SNVBAGLBSA-N 1 0 266.345 0.718 10 0 CCAERO COC[C@@]1(C(=O)NCC(F)(F)C(F)F)CCC[NH2+]1 ZINC000643798371 390556236 /nfs/dbraw/zinc/55/62/36/390556236.db2.gz KSPSLBRVEOQCHF-SECBINFHSA-N 1 0 272.242 0.772 10 0 CCAERO Cc1cnc(CC[N@@H+]2C[C@@H](O)C[C@@H]2CO)c(C)c1 ZINC000565948378 390560771 /nfs/dbraw/zinc/56/07/71/390560771.db2.gz BLWGHCKWKXJGEO-OLZOCXBDSA-N 1 0 250.342 0.668 10 0 CCAERO Cc1csc([C@@H](C)NC(=O)[C@@H]2C[NH2+]CCOC2)n1 ZINC000649320395 390577094 /nfs/dbraw/zinc/57/70/94/390577094.db2.gz YTWGJOWKAHXTDL-NXEZZACHSA-N 1 0 269.370 0.865 10 0 CCAERO CN(C(=O)[C@H]1CCCS1(=O)=O)[C@H]1CCC[NH2+]CC1 ZINC000566471968 390618663 /nfs/dbraw/zinc/61/86/63/390618663.db2.gz VMDJPKXSLFZHGX-WDEREUQCSA-N 1 0 274.386 0.164 10 0 CCAERO COCCC1(c2nc(COC)no2)CC[NH2+]CC1 ZINC000643936282 390597198 /nfs/dbraw/zinc/59/71/98/390597198.db2.gz CVWULWSYUDOAFE-UHFFFAOYSA-N 1 0 255.318 0.874 10 0 CCAERO COC[C@]1(C(=O)NC2C[C@H](C)O[C@@H](C)C2)CCC[NH2+]1 ZINC000649374912 390610276 /nfs/dbraw/zinc/61/02/76/390610276.db2.gz WKPZNOBZFYCSGS-MJVIPROJSA-N 1 0 270.373 0.827 10 0 CCAERO CN(C)c1cccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000647040691 390763639 /nfs/dbraw/zinc/76/36/39/390763639.db2.gz HMXFIJCXABQTNB-YPMHNXCESA-N 1 0 263.341 0.063 10 0 CCAERO CC(=O)Nc1nc(C(=O)N2CC[C@H]([NH3+])[C@H]2C)cs1 ZINC000647045569 390765132 /nfs/dbraw/zinc/76/51/32/390765132.db2.gz RHZWZAJPDFGFQQ-SVRRBLITSA-N 1 0 268.342 0.663 10 0 CCAERO COc1ccccc1C[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000529639635 390848141 /nfs/dbraw/zinc/84/81/41/390848141.db2.gz QAYAIEQQLAYTCG-STQMWFEESA-N 1 0 251.326 0.728 10 0 CCAERO CCCn1cc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)cn1 ZINC000657696388 413049017 /nfs/dbraw/zinc/04/90/17/413049017.db2.gz IZSXOIVCEYZJDJ-NSHDSACASA-N 1 0 250.346 0.861 10 0 CCAERO O=S(=O)(N[C@@H]1CCCC[NH2+]C1)[C@@H]1CCCOC1 ZINC000333649138 296460228 /nfs/dbraw/zinc/46/02/28/296460228.db2.gz JMOGSQPHDMPYBK-GHMZBOCLSA-N 1 0 262.375 0.227 10 0 CCAERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)NC[C@@]2(O)CCSC2)C1 ZINC000341603399 129907160 /nfs/dbraw/zinc/90/71/60/129907160.db2.gz CQZPRBOQTSUIQP-WZRBSPASSA-N 1 0 287.429 0.636 10 0 CCAERO CC(=O)NC1CN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000190483858 130109538 /nfs/dbraw/zinc/10/95/38/130109538.db2.gz RPXJPEXDSPOVPT-HNNXBMFYSA-N 1 0 289.379 0.506 10 0 CCAERO CO[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)C[C@@H]1OC ZINC000342084919 130298506 /nfs/dbraw/zinc/29/85/06/130298506.db2.gz BKIOZGAKTPVPHF-LPWJVIDDSA-N 1 0 285.388 0.524 10 0 CCAERO C[NH2+]CCN(C)C(=O)[C@H](NC(=O)c1ccco1)C(C)C ZINC000237316092 131023351 /nfs/dbraw/zinc/02/33/51/131023351.db2.gz HZSQWCAEOHPGNQ-GFCCVEGCSA-N 1 0 281.356 0.712 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCn1ccnc1 ZINC000247468083 131103974 /nfs/dbraw/zinc/10/39/74/131103974.db2.gz RKDLDCQIANSQRC-OLZOCXBDSA-N 1 0 277.372 0.761 10 0 CCAERO CC[C@H](C)NC(=O)CCNC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000252021850 131132570 /nfs/dbraw/zinc/13/25/70/131132570.db2.gz XMZMHPVYDRPVIG-GARJFASQSA-N 1 0 255.362 0.535 10 0 CCAERO CSC[C@@H](C)NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262056038 131187449 /nfs/dbraw/zinc/18/74/49/131187449.db2.gz ANBHWKGDMUHZFA-JLLWLGSASA-N 1 0 282.413 0.591 10 0 CCAERO O=C(NCc1nc2cc(F)ccc2[nH]1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262368559 131215255 /nfs/dbraw/zinc/21/52/55/131215255.db2.gz JRYZNYLIFQZVMK-LDYMZIIASA-N 1 0 278.287 0.041 10 0 CCAERO COCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2CCCO2)CC1 ZINC000195143329 269744719 /nfs/dbraw/zinc/74/47/19/269744719.db2.gz ILHAKDKLIJCSHO-GXTWGEPZSA-N 1 0 299.415 0.964 10 0 CCAERO C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000275632259 135110770 /nfs/dbraw/zinc/11/07/70/135110770.db2.gz SIHWDBJOXSJJTA-RWMBFGLXSA-N 1 0 292.383 0.516 10 0 CCAERO CCn1cc(CN(C)C(=O)[C@H]2CC[C@H]([NH3+])C2)cn1 ZINC000575120726 335068775 /nfs/dbraw/zinc/06/87/75/335068775.db2.gz HIFPYJKYIKZODC-RYUDHWBXSA-N 1 0 250.346 0.989 10 0 CCAERO CC(C)C[C@@H]([NH3+])C(=O)NCc1cccc(S(N)(=O)=O)c1 ZINC000037650090 397383938 /nfs/dbraw/zinc/38/39/38/397383938.db2.gz JIZULPHAHXNGQU-GFCCVEGCSA-N 1 0 299.396 0.324 10 0 CCAERO COc1cccc(-c2nc(C(=O)NCC3C[NH2+]C3)no2)c1 ZINC000262032477 143931267 /nfs/dbraw/zinc/93/12/67/143931267.db2.gz PDNBWDADBJXMNC-UHFFFAOYSA-N 1 0 288.307 0.694 10 0 CCAERO CC(C)C(=O)N1CCN(C(=O)C2CCC([NH3+])CC2)CC1 ZINC000037805209 397387443 /nfs/dbraw/zinc/38/74/43/397387443.db2.gz ZORVWOLLOMTSFT-UHFFFAOYSA-N 1 0 281.400 0.831 10 0 CCAERO C[C@@H]([NH3+])CC(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 ZINC000040833918 397395457 /nfs/dbraw/zinc/39/54/57/397395457.db2.gz PUSHJAIZHCWCHC-SECBINFHSA-N 1 0 297.380 0.803 10 0 CCAERO C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000135571214 397415586 /nfs/dbraw/zinc/41/55/86/397415586.db2.gz NJRUMGIWLFJLAZ-DCAQKATOSA-N 1 0 262.375 0.130 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000380991168 397483886 /nfs/dbraw/zinc/48/38/86/397483886.db2.gz HFWUHNMZBSPVMY-QXEWZRGKSA-N 1 0 280.290 0.887 10 0 CCAERO C[C@@H]1[C@H](NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CCS1(=O)=O ZINC000380950949 397484340 /nfs/dbraw/zinc/48/43/40/397484340.db2.gz PRTXXZMXVKOGRY-LMLFDSFASA-N 1 0 274.386 0.196 10 0 CCAERO OCCN1CCC[C@@H]([NH2+]Cc2cnn(CC(F)F)c2)C1 ZINC000384375473 397495483 /nfs/dbraw/zinc/49/54/83/397495483.db2.gz MNQYDSBKIMBWKI-GFCCVEGCSA-N 1 0 288.342 0.695 10 0 CCAERO O=C(C[C@@H]1CC[NH2+]C1)N[C@@H]1c2ccccc2C[C@H]1O ZINC000381732109 397488161 /nfs/dbraw/zinc/48/81/61/397488161.db2.gz VDWFNEOJEQFEBE-PSOPSSQASA-N 1 0 260.337 0.761 10 0 CCAERO C[C@@H]1[C@H](NC(=O)CC[C@H]2CCC[NH2+]2)CCS1(=O)=O ZINC000386228923 397500893 /nfs/dbraw/zinc/50/08/93/397500893.db2.gz PNQUDFSRGDHMAP-GMTAPVOTSA-N 1 0 274.386 0.210 10 0 CCAERO CCN1CCO[C@H](C[NH2+]Cc2cnn(CC(F)F)c2)C1 ZINC000394255450 397516756 /nfs/dbraw/zinc/51/67/56/397516756.db2.gz WYCQTILJUULDOG-GFCCVEGCSA-N 1 0 288.342 0.959 10 0 CCAERO CCN1C[C@H](NC(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1=O ZINC000391625212 397512358 /nfs/dbraw/zinc/51/23/58/397512358.db2.gz QJJMKPKSIVONAA-MXWKQRLJSA-N 1 0 253.346 0.098 10 0 CCAERO CCOCCOCC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158889506 286102462 /nfs/dbraw/zinc/10/24/62/286102462.db2.gz MGNDMEBYTWRZFU-QWHCGFSZSA-N 1 0 272.389 0.884 10 0 CCAERO CCOCCO[C@H](C)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249840027 286111175 /nfs/dbraw/zinc/11/11/75/286111175.db2.gz VZUONQVFHVONQH-OLZOCXBDSA-N 1 0 270.373 0.735 10 0 CCAERO C[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CCC(=O)NC1(C)C ZINC000334922823 297102723 /nfs/dbraw/zinc/10/27/23/297102723.db2.gz XUMQERQVTWUVBH-ZJUUUORDSA-N 1 0 268.361 0.047 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCO[C@H]1CC1(F)F ZINC000659346178 413437557 /nfs/dbraw/zinc/43/75/57/413437557.db2.gz ULOXZVSJBJOLTN-AEJSXWLSSA-N 1 0 262.300 0.915 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCC(=O)N(C)CC1 ZINC000659372390 413454847 /nfs/dbraw/zinc/45/48/47/413454847.db2.gz AYAFIPFUKQTGGT-QWRGUYRKSA-N 1 0 253.346 0.065 10 0 CCAERO CC[C@@H]1CCC[C@@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000333619131 287059241 /nfs/dbraw/zinc/05/92/41/287059241.db2.gz RJVVVEPYQVPKFE-NDBYEHHHSA-N 1 0 269.389 0.929 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H](C)NC(N)=O ZINC000175022152 287222592 /nfs/dbraw/zinc/22/25/92/287222592.db2.gz VJXACHVZDGJZNC-GMTAPVOTSA-N 1 0 268.361 0.128 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCNS(C)(=O)=O ZINC000245421815 287229986 /nfs/dbraw/zinc/22/99/86/287229986.db2.gz IEGGMLLVOGZXFS-NEPJUHHUSA-N 1 0 275.418 0.094 10 0 CCAERO Cc1ccc(NC(=O)Cn2cc(C[NH3+])nn2)cc1F ZINC000050224838 411676558 /nfs/dbraw/zinc/67/65/58/411676558.db2.gz SKEBMMAIFYCSCK-UHFFFAOYSA-N 1 0 263.276 0.823 10 0 CCAERO [NH3+]Cc1cn(CC(=O)N2CCc3sccc3C2)nn1 ZINC000050224931 411678077 /nfs/dbraw/zinc/67/80/77/411678077.db2.gz LESNQTRSKCIBIX-UHFFFAOYSA-N 1 0 277.353 0.383 10 0 CCAERO [NH3+][C@@H](CCC(=O)N[C@@H]1CCCNC1=O)c1ccccc1 ZINC000071401368 411693812 /nfs/dbraw/zinc/69/38/12/411693812.db2.gz YZBWUSUNQZZLSH-QWHCGFSZSA-N 1 0 275.352 0.861 10 0 CCAERO CC(C)C[C@@H](CNC(=O)[C@@H]1CNC(=O)C1)[NH+](C)C ZINC000110432950 411702391 /nfs/dbraw/zinc/70/23/91/411702391.db2.gz HPOJOPFHXPNGRU-QWRGUYRKSA-N 1 0 255.362 0.215 10 0 CCAERO COC[C@]1(C(=O)N[C@H]2CCC[C@@H](O)C2)CC[NH2+]C1 ZINC000311109430 411750565 /nfs/dbraw/zinc/75/05/65/411750565.db2.gz UVCJXQORGDWFRP-LOWVWBTDSA-N 1 0 256.346 0.032 10 0 CCAERO COC[C@]1(C(=O)N[C@@H](C)c2ncc(C)o2)CC[NH2+]C1 ZINC000311716989 411751307 /nfs/dbraw/zinc/75/13/07/411751307.db2.gz OMAKFFOUTOMVTK-GWCFXTLKSA-N 1 0 267.329 0.786 10 0 CCAERO C[C@@H]1CCCN1CC(=O)Nc1ccn([C@H]2CC[NH2+]C2)n1 ZINC000328645288 411759635 /nfs/dbraw/zinc/75/96/35/411759635.db2.gz ZNZCWHORRMNVQG-NEPJUHHUSA-N 1 0 277.372 0.840 10 0 CCAERO CC(C)(C(=O)NC[C@H]1CCCC[C@@H]1O)N1CC[NH2+]CC1 ZINC000129772069 411719608 /nfs/dbraw/zinc/71/96/08/411719608.db2.gz FNMGFQZTBNDKSF-OLZOCXBDSA-N 1 0 283.416 0.338 10 0 CCAERO Cc1cc(CN(C)C(=O)C(C)(C)N2CC[NH2+]CC2)no1 ZINC000129610450 411719973 /nfs/dbraw/zinc/71/99/73/411719973.db2.gz IJCRVPJCIDBGGZ-UHFFFAOYSA-N 1 0 280.372 0.625 10 0 CCAERO CC(C)(C(=O)NC[C@H]1CCCC[C@H]1O)N1CC[NH2+]CC1 ZINC000129772577 411720314 /nfs/dbraw/zinc/72/03/14/411720314.db2.gz FNMGFQZTBNDKSF-CHWSQXEVSA-N 1 0 283.416 0.338 10 0 CCAERO CCO[C@@H]1CN(c2ccc(S(C)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000405322301 411799100 /nfs/dbraw/zinc/79/91/00/411799100.db2.gz AASXTGLJNPURQP-BXUZGUMPSA-N 1 0 298.408 0.890 10 0 CCAERO COc1cc(N2CCN(C(C)=O)CC2)ccc1NC(N)=[NH2+] ZINC000584644912 411833219 /nfs/dbraw/zinc/83/32/19/411833219.db2.gz YXIJQNMFAFLTIO-UHFFFAOYSA-N 1 0 291.355 0.669 10 0 CCAERO COCCNC(=O)[C@H](C)Oc1cccc(C[NH3+])c1 ZINC000020387064 171176918 /nfs/dbraw/zinc/17/69/18/171176918.db2.gz JPCCQQTWMGBEJT-JTQLQIEISA-N 1 0 252.314 0.675 10 0 CCAERO C[C@@H](Oc1ccc(CC[NH3+])cc1)C(=O)NC(N)=O ZINC000020387645 171177528 /nfs/dbraw/zinc/17/75/28/171177528.db2.gz HPFRBCVJSAKRSB-MRVPVSSYSA-N 1 0 251.286 0.150 10 0 CCAERO C[C@@H](Oc1ccc([C@H](C)[NH3+])cc1)C(=O)NC(N)=O ZINC000020419298 171183769 /nfs/dbraw/zinc/18/37/69/171183769.db2.gz WDUSDORSJLVYII-JGVFFNPUSA-N 1 0 251.286 0.669 10 0 CCAERO COc1cc(C[C@H](C[NH3+])C(N)=O)cc(OC)c1OC ZINC000020580001 171256862 /nfs/dbraw/zinc/25/68/62/171256862.db2.gz VVIVKLUKSOMECT-SECBINFHSA-N 1 0 268.313 0.315 10 0 CCAERO Cc1c(N)cccc1S(=O)(=O)NCCC[NH+](C)C ZINC000021812236 171329567 /nfs/dbraw/zinc/32/95/67/171329567.db2.gz FQAASRYMJAWNDU-UHFFFAOYSA-N 1 0 271.386 0.807 10 0 CCAERO O=C([C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N1CCCOCC1 ZINC000653073784 412210118 /nfs/dbraw/zinc/21/01/18/412210118.db2.gz NCEZEWJTCAJZPF-RKDXNWHRSA-N 1 0 266.263 0.633 10 0 CCAERO O=C(NCC1(CO)CC1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653088694 412212811 /nfs/dbraw/zinc/21/28/11/412212811.db2.gz HUPZEJSFQOXXCP-HTQZYQBOSA-N 1 0 266.263 0.273 10 0 CCAERO CN(Cc1cnccn1)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653113867 412226150 /nfs/dbraw/zinc/22/61/50/412226150.db2.gz QMUHLCZBCUYOEZ-NXEZZACHSA-N 1 0 288.273 0.833 10 0 CCAERO COC[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)C1CC1 ZINC000653130459 412235320 /nfs/dbraw/zinc/23/53/20/412235320.db2.gz MKZOOINAMRLWQY-BBBLOLIVSA-N 1 0 280.290 0.926 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cccc2[nH]ccc21 ZINC000653139160 412238259 /nfs/dbraw/zinc/23/82/59/412238259.db2.gz VMIVNAHIOSPKJO-NOZJJQNGSA-N 1 0 259.309 0.478 10 0 CCAERO CCC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CC(=O)NC(C)C ZINC000035207169 172051630 /nfs/dbraw/zinc/05/16/30/172051630.db2.gz ZFILHPVFGKERFS-GHMZBOCLSA-N 1 0 257.378 0.794 10 0 CCAERO C[NH2+]Cc1c(N2CCOCC2)nc2sccn12 ZINC000035429572 172197489 /nfs/dbraw/zinc/19/74/89/172197489.db2.gz DETLDKXRFIFSKO-UHFFFAOYSA-N 1 0 252.343 0.952 10 0 CCAERO C[C@H]1CN(S(=O)(=O)c2ccc(CC[NH3+])s2)CCO1 ZINC000035679175 172349736 /nfs/dbraw/zinc/34/97/36/172349736.db2.gz IFUYEGKHWYMOBH-VIFPVBQESA-N 1 0 290.410 0.659 10 0 CCAERO Cc1n[nH]c(C)c1S(=O)(=O)N[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000035691660 172360137 /nfs/dbraw/zinc/36/01/37/172360137.db2.gz KUGZMNWMSZWBIU-KWQFWETISA-N 1 0 286.401 0.835 10 0 CCAERO CCN(C1CCCC1)S(=O)(=O)N1CCC[NH2+]CC1 ZINC000035766609 172408224 /nfs/dbraw/zinc/40/82/24/172408224.db2.gz FMHRELZZFGSTMY-UHFFFAOYSA-N 1 0 275.418 0.791 10 0 CCAERO C[NH2+]Cc1c(C)nn(C)c1N1CCC[C@@H](CO)C1 ZINC000036227857 172524908 /nfs/dbraw/zinc/52/49/08/172524908.db2.gz WHEPOZRKKKFGPE-LLVKDONJSA-N 1 0 252.362 0.657 10 0 CCAERO COc1cccc(OC)c1C(=O)NC1CC([NH3+])C1 ZINC000036237304 172535051 /nfs/dbraw/zinc/53/50/51/172535051.db2.gz WWIIKIHRGOGZKY-UHFFFAOYSA-N 1 0 250.298 0.923 10 0 CCAERO Cc1ccc(S(=O)(=O)N(C)[C@@H]2C[NH2+]C[C@H]2O)cc1C ZINC000036266863 172562255 /nfs/dbraw/zinc/56/22/55/172562255.db2.gz IWVZKLLVCBOPLH-CHWSQXEVSA-N 1 0 284.381 0.257 10 0 CCAERO CC[C@H]([NH3+])C(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12 ZINC000036871246 172768526 /nfs/dbraw/zinc/76/85/26/172768526.db2.gz PSQRRHJGLIZBQC-ZETCQYMHSA-N 1 0 262.269 0.305 10 0 CCAERO C[NH2+]Cc1ccc(OC[C@H](C)C(N)=O)c(OC)c1 ZINC000037226861 173047382 /nfs/dbraw/zinc/04/73/82/173047382.db2.gz YTACGLFFKUXJGM-VIFPVBQESA-N 1 0 252.314 0.915 10 0 CCAERO NC(=O)c1ccsc1NC(=O)CN1CCC[NH2+]CC1 ZINC000037365348 173154327 /nfs/dbraw/zinc/15/43/27/173154327.db2.gz RSYNEFLKBFXSGU-UHFFFAOYSA-N 1 0 282.369 0.081 10 0 CCAERO COc1cc(C[C@H](C)[NH3+])cc(OC)c1OCC(N)=O ZINC000037728686 173648242 /nfs/dbraw/zinc/64/82/42/173648242.db2.gz QBHNIGQNIFUIGB-QMMMGPOBSA-N 1 0 268.313 0.458 10 0 CCAERO C[NH2+]CCCC(=O)N(CCC(=O)OC)CC(F)(F)F ZINC000037815569 173764697 /nfs/dbraw/zinc/76/46/97/173764697.db2.gz CFOVNSASGGRAEY-UHFFFAOYSA-N 1 0 284.278 0.940 10 0 CCAERO COCCOCCOCCC[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000660691011 414446003 /nfs/dbraw/zinc/44/60/03/414446003.db2.gz FJHCXWCJGZOCIH-UONOGXRCSA-N 1 0 275.389 0.901 10 0 CCAERO CC(C)N1C(=O)C[C@H]([NH2+]C[C@H](C)N2CCCCC2)C1=O ZINC000038029197 174019472 /nfs/dbraw/zinc/01/94/72/174019472.db2.gz YNZKPYIBQZNELQ-STQMWFEESA-N 1 0 281.400 0.986 10 0 CCAERO CCN(CCC[NH2+]C[C@@H]1CCCO1)S(C)(=O)=O ZINC000038035819 174034211 /nfs/dbraw/zinc/03/42/11/174034211.db2.gz PBLTYLJZPPLIQK-NSHDSACASA-N 1 0 264.391 0.427 10 0 CCAERO O=C(NC1CCOCC1)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000038043254 174049982 /nfs/dbraw/zinc/04/99/82/174049982.db2.gz NDCXHEAJQVQZAY-AWEZNQCLSA-N 1 0 281.400 0.498 10 0 CCAERO COCCCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000038045816 174053987 /nfs/dbraw/zinc/05/39/87/174053987.db2.gz KPZNCLXYGHFXET-RYUDHWBXSA-N 1 0 258.362 0.544 10 0 CCAERO COc1nc(N(C)C)sc1C[NH2+]C[C@H]1COCCO1 ZINC000038054780 174066410 /nfs/dbraw/zinc/06/64/10/174066410.db2.gz SVGXEEKVDAQUNY-VIFPVBQESA-N 1 0 287.385 0.723 10 0 CCAERO O[C@@H](C[NH2+]C[C@@H]1COCCO1)COC1CCCC1 ZINC000038061379 174072429 /nfs/dbraw/zinc/07/24/29/174072429.db2.gz WJOIUNBKLOOHJQ-WCQYABFASA-N 1 0 259.346 0.312 10 0 CCAERO O=C(NC[C@@H]1COCCO1)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000038062227 174073184 /nfs/dbraw/zinc/07/31/84/174073184.db2.gz VLUBMZRFYPOSMF-QNWHQSFQSA-N 1 0 268.357 0.439 10 0 CCAERO COC(=O)[C@@H]1CCCN1C(=O)CC1CC[NH2+]CC1 ZINC000038075737 174086423 /nfs/dbraw/zinc/08/64/23/174086423.db2.gz FRNHQWOFEWNEOS-NSHDSACASA-N 1 0 254.330 0.540 10 0 CCAERO O=S1(=O)CC[C@H](C[NH2+][C@@H]2COc3cc(O)ccc32)C1 ZINC000038082924 174092517 /nfs/dbraw/zinc/09/25/17/174092517.db2.gz KMFVMGMMJDYPJD-BXKDBHETSA-N 1 0 283.349 0.850 10 0 CCAERO Cc1nc(C)c([C@@H](C)[NH2+]C[C@H](C)N(C)C)c(=O)[nH]1 ZINC000038087519 174099468 /nfs/dbraw/zinc/09/94/68/174099468.db2.gz YXGWSWMEZPDRES-DTWKUNHWSA-N 1 0 252.362 0.987 10 0 CCAERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1CCS(C)(=O)=O ZINC000038531695 174144048 /nfs/dbraw/zinc/14/40/48/174144048.db2.gz POMYUAYJVUYHNP-JTQLQIEISA-N 1 0 292.401 0.630 10 0 CCAERO Cn1ncc(Cl)c1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000662766490 414774489 /nfs/dbraw/zinc/77/44/89/414774489.db2.gz NHGUUTMDBXJPDN-QXFUBDJGSA-N 1 0 268.748 0.883 10 0 CCAERO COCc1csc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000662563419 414728718 /nfs/dbraw/zinc/72/87/18/414728718.db2.gz OISALXNYAXJNCR-ZJUUUORDSA-N 1 0 270.354 0.205 10 0 CCAERO O=C(N[C@@H]1CCNC1=O)c1cccn1C1CC[NH2+]CC1 ZINC000662586471 414730698 /nfs/dbraw/zinc/73/06/98/414730698.db2.gz JZINBLAPPUXFET-LLVKDONJSA-N 1 0 276.340 0.031 10 0 CCAERO CN1C[C@@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1=O ZINC000662696362 414742963 /nfs/dbraw/zinc/74/29/63/414742963.db2.gz YBSGAXKHOREHJF-HYWTVENDSA-N 1 0 279.384 0.502 10 0 CCAERO COc1ccc(OCC[NH2+]CCN2CCOCC2)cc1 ZINC000041435891 174552657 /nfs/dbraw/zinc/55/26/57/174552657.db2.gz ONVJNQRLGMXBEY-UHFFFAOYSA-N 1 0 280.368 0.996 10 0 CCAERO CN(C(=O)C[C@H]1CCCO1)[C@@H](C[NH3+])C(F)(F)F ZINC000662978344 414931417 /nfs/dbraw/zinc/93/14/17/414931417.db2.gz PGUWQYZSUKANMY-SFYZADRCSA-N 1 0 254.252 0.904 10 0 CCAERO CN(C(=O)[C@H]1CCCOC1)[C@H](C[NH3+])C(F)(F)F ZINC000662979355 414931492 /nfs/dbraw/zinc/93/14/92/414931492.db2.gz LZDYKTBDQAAJJO-JGVFFNPUSA-N 1 0 254.252 0.761 10 0 CCAERO CN1C[C@@H](CNC(=O)[C@@](C)([NH3+])c2ccccc2)CC1=O ZINC000662886703 414868914 /nfs/dbraw/zinc/86/89/14/414868914.db2.gz KVDYPSWZJCYHQA-ABAIWWIYSA-N 1 0 275.352 0.455 10 0 CCAERO COCc1noc(-c2ccnc(N3CC[C@H]([NH3+])C3)c2)n1 ZINC000070458156 175941126 /nfs/dbraw/zinc/94/11/26/175941126.db2.gz ISKOXBWDYDTGDO-JTQLQIEISA-N 1 0 275.312 0.815 10 0 CCAERO [NH3+][C@@H]1CCC[C@H](C(=O)N(CCO)CC(F)(F)F)C1 ZINC000070576797 175992246 /nfs/dbraw/zinc/99/22/46/175992246.db2.gz PNPZRHJECOTFOQ-DTWKUNHWSA-N 1 0 268.279 0.887 10 0 CCAERO CC[NH2+][C@@H](CCN(C)C[C@@H]1CC[N@H+](C)C1)C(=O)[O-] ZINC000071191060 176068827 /nfs/dbraw/zinc/06/88/27/176068827.db2.gz JOWFWJJCTVMMGF-NEPJUHHUSA-N 1 0 257.378 0.323 10 0 CCAERO CC[NH2+][C@@H](C)CCCn1cnc2c(cnn2C)c1=O ZINC000071195003 176076255 /nfs/dbraw/zinc/07/62/55/176076255.db2.gz WOHBKBDRRNAYBF-JTQLQIEISA-N 1 0 263.345 0.908 10 0 CCAERO C[C@H]1C[C@H]1NS(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000071244637 176094883 /nfs/dbraw/zinc/09/48/83/176094883.db2.gz FYTYHUCNAUTRGQ-WRWORJQWSA-N 1 0 258.318 0.971 10 0 CCAERO CS(=O)(=O)NCCN1Cc2ccc(F)cc2C1=[NH2+] ZINC000071268791 176102335 /nfs/dbraw/zinc/10/23/35/176102335.db2.gz JXLOGRWSUXAMGU-UHFFFAOYSA-N 1 0 271.317 0.516 10 0 CCAERO C[N@H+](CCNC(=O)Cn1cc(N)cn1)C1CCCC1 ZINC000071376463 176141127 /nfs/dbraw/zinc/14/11/27/176141127.db2.gz DGHOPLZWRPNARH-UHFFFAOYSA-N 1 0 265.361 0.456 10 0 CCAERO COCCNC(=O)COc1ccc(C)cc1C[NH3+] ZINC000071403207 176155031 /nfs/dbraw/zinc/15/50/31/176155031.db2.gz NWHTZESAGMUDBK-UHFFFAOYSA-N 1 0 252.314 0.595 10 0 CCAERO COc1ccccc1CC[C@@H](CO)N1CC[NH2+]CC1 ZINC000071596934 176220299 /nfs/dbraw/zinc/22/02/99/176220299.db2.gz BPYRZIMVRRJDOC-AWEZNQCLSA-N 1 0 264.369 0.894 10 0 CCAERO COC(=O)c1cccc(N(C)S(=O)(=O)CC[NH3+])c1 ZINC000076414523 177021368 /nfs/dbraw/zinc/02/13/68/177021368.db2.gz PYXUCNHGVZTUJT-UHFFFAOYSA-N 1 0 272.326 0.198 10 0 CCAERO COc1ccc(S(=O)(=O)N[C@H](C)C[NH3+])c(OC)c1 ZINC000076434615 177024596 /nfs/dbraw/zinc/02/45/96/177024596.db2.gz RRMVDWTWUFWREK-MRVPVSSYSA-N 1 0 274.342 0.329 10 0 CCAERO CN(Cc1cnn(C)c1)C(=O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171638105 335073126 /nfs/dbraw/zinc/07/31/26/335073126.db2.gz FDXKIMGHSFZPGI-CQSZACIVSA-N 1 0 291.399 0.159 10 0 CCAERO CS(=O)(=O)c1cnn(-c2ccc(CC[NH3+])cn2)c1 ZINC000725242231 545873677 /nfs/dbraw/zinc/87/36/77/545873677.db2.gz OPZIDHNVMDAYDC-UHFFFAOYSA-N 1 0 266.326 0.172 10 0 CCAERO CCOC(=O)CCC(=O)NC1CCC2(CC1)C[NH2+]CCO2 ZINC000725243922 545873527 /nfs/dbraw/zinc/87/35/27/545873527.db2.gz LNRCSLZAKJNILV-UHFFFAOYSA-N 1 0 298.383 0.747 10 0 CCAERO CS(=O)(=O)c1cnn([C@@H](C[NH3+])c2ccccc2F)c1 ZINC000725251737 545876602 /nfs/dbraw/zinc/87/66/02/545876602.db2.gz GBLHQRHCKXHKJM-LBPRGKRZSA-N 1 0 283.328 0.974 10 0 CCAERO CS(=O)(=O)c1cnn(C[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000725251620 545876720 /nfs/dbraw/zinc/87/67/20/545876720.db2.gz CQCDJHBGOPFYSJ-ZCFIWIBFSA-N 1 0 271.264 0.424 10 0 CCAERO CC(C)(C)[NH2+]C[C@@H](O)CCn1cc(S(C)(=O)=O)cn1 ZINC000725251721 545877576 /nfs/dbraw/zinc/87/75/76/545877576.db2.gz FQUWPODVTCKQFB-JTQLQIEISA-N 1 0 289.401 0.426 10 0 CCAERO CCS(=O)(=O)N(C)c1ccc(C[NH3+])cc1OC ZINC000725255429 545880099 /nfs/dbraw/zinc/88/00/99/545880099.db2.gz AXWARKVQNOCZHB-UHFFFAOYSA-N 1 0 258.343 0.940 10 0 CCAERO CC(C)CNC(=S)Nc1ccnn1C1C[NH2+]C1 ZINC000725258179 545880296 /nfs/dbraw/zinc/88/02/96/545880296.db2.gz JMLQXBNQLCMRJV-UHFFFAOYSA-N 1 0 253.375 0.970 10 0 CCAERO CCOC(=O)C1CC2(C1)C[C@@H]([NH3+])CCS2(=O)=O ZINC000725265213 545884396 /nfs/dbraw/zinc/88/43/96/545884396.db2.gz OQYMRCHBVFYFSH-YUCVTWSNSA-N 1 0 261.343 0.234 10 0 CCAERO O=S(=O)(N[C@@H]1CCCC12CC[NH2+]CC2)C1CC1 ZINC000725264307 545884824 /nfs/dbraw/zinc/88/48/24/545884824.db2.gz XWKSRJWTADXKRU-LLVKDONJSA-N 1 0 258.387 0.991 10 0 CCAERO COCCN1CC[NH+](C[C@@H]2C[C@]2(CO)C(C)C)CC1 ZINC000725267115 545886277 /nfs/dbraw/zinc/88/62/77/545886277.db2.gz OBCMPBCZMYEXIR-GJZGRUSLSA-N 1 0 270.417 0.905 10 0 CCAERO CC(C)[C@H](C)C(=O)N1CC(N2C[C@H]([NH3+])CC2=O)C1 ZINC000725271779 545888373 /nfs/dbraw/zinc/88/83/73/545888373.db2.gz CHPZAFSAZWZNIB-VHSXEESVSA-N 1 0 253.346 0.049 10 0 CCAERO CCCCS(=O)(=O)N1CCC2(CC1)OCC[C@H]2[NH3+] ZINC000725269948 545888488 /nfs/dbraw/zinc/88/84/88/545888488.db2.gz UPVZPHNVPKZTFN-LLVKDONJSA-N 1 0 276.402 0.699 10 0 CCAERO CCOC(=O)C1CCN([C@@H]2COC[C@@H]2C[NH+](C)C)CC1 ZINC000725273738 545889643 /nfs/dbraw/zinc/88/96/43/545889643.db2.gz YPQOGCRYYJJSEX-UONOGXRCSA-N 1 0 284.400 0.838 10 0 CCAERO C[NH2+][C@H](C)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000054074173 544442393 /nfs/dbraw/zinc/44/23/93/544442393.db2.gz ACRNLEVNFYMNST-MWLCHTKSSA-N 1 0 252.318 0.609 10 0 CCAERO COC[C@@H](O)C[NH2+][C@H]1CCS(=O)(=O)c2ccccc21 ZINC000071269453 544452587 /nfs/dbraw/zinc/45/25/87/544452587.db2.gz JKLWOMYRBYXRSO-JQWIXIFHSA-N 1 0 285.365 0.502 10 0 CCAERO OC[C@H](O)C[NH2+]Cc1ccc(O)c(Br)c1 ZINC000085247457 544492832 /nfs/dbraw/zinc/49/28/32/544492832.db2.gz YJDYTVUHMDLYGP-MRVPVSSYSA-N 1 0 276.130 0.598 10 0 CCAERO Cc1ccc2nc(CN3CC[C@@H]([NH3+])[C@H](O)C3)cn2c1 ZINC000082161724 544484115 /nfs/dbraw/zinc/48/41/15/544484115.db2.gz HQNSSIDKFBSBSM-CHWSQXEVSA-N 1 0 260.341 0.537 10 0 CCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(CC(N)=O)C1CCCC1 ZINC000094647738 544545996 /nfs/dbraw/zinc/54/59/96/544545996.db2.gz CKZCYKJRNHAYAZ-PWSUYJOCSA-N 1 0 267.373 0.631 10 0 CCAERO Cc1cc(CS(=O)(=O)N[C@@H]2CCC[C@H]2C[NH3+])no1 ZINC000089091745 544511430 /nfs/dbraw/zinc/51/14/30/544511430.db2.gz NBLZBRDQEXYVSB-GXSJLCMTSA-N 1 0 273.358 0.530 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000089452018 544512763 /nfs/dbraw/zinc/51/27/63/544512763.db2.gz OOTADJUKBMUSOE-GXFFZTMASA-N 1 0 286.339 0.976 10 0 CCAERO CN(Cc1nccn1C)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089457674 544515018 /nfs/dbraw/zinc/51/50/18/544515018.db2.gz KRLFSCZUXHJKRC-MNOVXSKESA-N 1 0 250.346 0.754 10 0 CCAERO CCc1nn(C)cc1C[NH2+]C[C@H]1CN(C)CCO1 ZINC000124027859 544585328 /nfs/dbraw/zinc/58/53/28/544585328.db2.gz ZKMNMNROGCNRCO-LBPRGKRZSA-N 1 0 252.362 0.403 10 0 CCAERO COc1cc(OC)nc(N2CCO[C@H]([C@H](C)[NH3+])C2)n1 ZINC000135012234 544634123 /nfs/dbraw/zinc/63/41/23/544634123.db2.gz BQZPRJPCHAAONL-IUCAKERBSA-N 1 0 268.317 0.046 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)NCC(C)(C)N1CCOCC1 ZINC000136425461 544638792 /nfs/dbraw/zinc/63/87/92/544638792.db2.gz FVGOBULZFHNIPE-LBPRGKRZSA-N 1 0 271.405 0.587 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H](C)CN1CCCC1=O ZINC000136371215 544639125 /nfs/dbraw/zinc/63/91/25/544639125.db2.gz PMOHKRYVPKWUCF-WDEREUQCSA-N 1 0 255.362 0.487 10 0 CCAERO CC(C)C(=O)N1CCN(C(=O)C[C@H]([NH3+])C(C)C)CC1 ZINC000136384753 544639442 /nfs/dbraw/zinc/63/94/42/544639442.db2.gz XLIWWGVXECUBJP-LBPRGKRZSA-N 1 0 269.389 0.687 10 0 CCAERO CNC(=O)[C@H]([NH2+]CC(=O)N1CCc2ccccc21)C(C)C ZINC000183632784 544768540 /nfs/dbraw/zinc/76/85/40/544768540.db2.gz JAESRGWWKFXZJH-OAHLLOKOSA-N 1 0 289.379 0.936 10 0 CCAERO Cc1nc2c([nH]1)C[C@@H](C(=O)NCCC[NH+](C)C)CC2 ZINC000220583522 544816360 /nfs/dbraw/zinc/81/63/60/544816360.db2.gz DPGOHYYRNPERHT-NSHDSACASA-N 1 0 264.373 0.891 10 0 CCAERO [NH3+][C@@H]1CCC[C@H]1C(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000223424919 544823861 /nfs/dbraw/zinc/82/38/61/544823861.db2.gz GQFXSIAHFKICES-JHJVBQTASA-N 1 0 267.373 0.047 10 0 CCAERO C[C@@H](NC(=O)c1ccco1)C(=O)NCC[NH2+]C1CC1 ZINC000237575351 544896275 /nfs/dbraw/zinc/89/62/75/544896275.db2.gz JHLLNXUQQLGDSF-SECBINFHSA-N 1 0 265.313 0.266 10 0 CCAERO CC[C@H]([NH2+]C[C@@H](O)CN1CCCC1=O)[C@H]1CCCO1 ZINC000248642629 544914972 /nfs/dbraw/zinc/91/49/72/544914972.db2.gz ZTVBUSAMADYULY-FRRDWIJNSA-N 1 0 270.373 0.517 10 0 CCAERO C[C@]1(C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)CCCC[NH2+]1 ZINC000252806925 544931069 /nfs/dbraw/zinc/93/10/69/544931069.db2.gz HVGHJUWNBPXWLF-SLEUVZQESA-N 1 0 279.384 0.646 10 0 CCAERO COc1cc(C)nc(N2CCO[C@H]([C@H](C)[NH3+])C2)n1 ZINC000252782201 544931963 /nfs/dbraw/zinc/93/19/63/544931963.db2.gz RUHIIBGMUDPWIC-UWVGGRQHSA-N 1 0 252.318 0.346 10 0 CCAERO COC[C@H](C)NC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000253197084 544932812 /nfs/dbraw/zinc/93/28/12/544932812.db2.gz ABJBXVJQWURODN-KZWBYHQPSA-N 1 0 270.373 0.670 10 0 CCAERO CC(C)(C)OC(=O)N1CCN(C[C@@H]2CC[NH2+]2)CC1 ZINC000258149773 544935494 /nfs/dbraw/zinc/93/54/94/544935494.db2.gz ZVCNCLREQBGUGD-NSHDSACASA-N 1 0 255.362 0.901 10 0 CCAERO Cc1cc(C)cc(OCCC(=O)NC[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000262075196 544938031 /nfs/dbraw/zinc/93/80/31/544938031.db2.gz BXPIMLYQEZMZIA-UKRRQHHQSA-N 1 0 292.379 0.769 10 0 CCAERO Cc1nc2ccccn2c1CNC[C@H]1C[NH2+]C[C@H]1O ZINC000262093648 544939234 /nfs/dbraw/zinc/93/92/34/544939234.db2.gz HIMGVKNCCNMMAM-WCQYABFASA-N 1 0 260.341 0.313 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cc(-c2ccccn2)no1 ZINC000262111317 544940279 /nfs/dbraw/zinc/94/02/79/544940279.db2.gz FJYBPMMLKGZTEW-SKDRFNHKSA-N 1 0 288.307 0.047 10 0 CCAERO C[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccccc1F ZINC000262121543 544940996 /nfs/dbraw/zinc/94/09/96/544940996.db2.gz FYKGCZXXISEUAH-KWBADKCTSA-N 1 0 266.316 0.626 10 0 CCAERO COc1cc2c(c(CNC[C@@H]3C[NH2+]C[C@H]3O)c1)O[C@H](C)C2 ZINC000262153473 544941562 /nfs/dbraw/zinc/94/15/62/544941562.db2.gz RNTLZIAXHLLIMG-WDBKCZKBSA-N 1 0 292.379 0.689 10 0 CCAERO Cc1ccc(OCC(=O)NC[C@H]2C[NH2+]C[C@H]2O)c(C)c1 ZINC000262137258 544942402 /nfs/dbraw/zinc/94/24/02/544942402.db2.gz GXLQTDYCEXXMSI-CHWSQXEVSA-N 1 0 278.352 0.379 10 0 CCAERO Cc1nn(-c2ccccc2)cc1CNC[C@@H]1C[NH2+]C[C@H]1O ZINC000262141956 544942490 /nfs/dbraw/zinc/94/24/90/544942490.db2.gz PURPIEXBRVVIMO-CZUORRHYSA-N 1 0 286.379 0.851 10 0 CCAERO Cc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1F ZINC000262293318 544942660 /nfs/dbraw/zinc/94/26/60/544942660.db2.gz OWUCGPRKBANOHE-ZYHUDNBSSA-N 1 0 252.289 0.444 10 0 CCAERO CC1(C)CN(CCNC(=O)N[C@H]2CCCC[NH2+]C2)CCO1 ZINC000333826291 545043582 /nfs/dbraw/zinc/04/35/82/545043582.db2.gz RYISZHVWEGOQKS-ZDUSSCGKSA-N 1 0 298.431 0.539 10 0 CCAERO C[C@H](NC(=O)N1CC[NH2+]C[C@H]1C)[C@@H]1CCCCO1 ZINC000333862903 545044036 /nfs/dbraw/zinc/04/40/36/545044036.db2.gz ZTWVGYGNUCFMFT-WOPDTQHZSA-N 1 0 255.362 0.947 10 0 CCAERO CNC(=O)[C@H]1CCCN1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000332745216 545032629 /nfs/dbraw/zinc/03/26/29/545032629.db2.gz GNFJKPOQGCZHEO-CMPLNLGQSA-N 1 0 280.372 0.143 10 0 CCAERO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1CCCNC1=O ZINC000332901866 545036238 /nfs/dbraw/zinc/03/62/38/545036238.db2.gz OZCGIZYYPOTSRQ-CHWSQXEVSA-N 1 0 297.399 0.174 10 0 CCAERO c1cc(NC[C@H]2CC[NH2+]C2)nc(N2CCCCC2)n1 ZINC000333603209 545040570 /nfs/dbraw/zinc/04/05/70/545040570.db2.gz WUHXSHOYMMHGSM-LBPRGKRZSA-N 1 0 261.373 0.910 10 0 CCAERO CCCN(C(=O)N[C@@H]1CCO[C@@H]1C)[C@@H]1CC[NH2+]C1 ZINC000333605486 545040594 /nfs/dbraw/zinc/04/05/94/545040594.db2.gz PZFDNJATRKVPMR-IJLUTSLNSA-N 1 0 255.362 0.947 10 0 CCAERO CC(C)[C@@H]1CN(C(=O)[C@]2(O)CCSC2)CC[N@@H+]1C ZINC000336090827 545049979 /nfs/dbraw/zinc/04/99/79/545049979.db2.gz YCAGEKLHHXDNHG-AAEUAGOBSA-N 1 0 272.414 0.653 10 0 CCAERO CCC[C@@H](C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[NH+](C)C ZINC000179549560 260055132 /nfs/dbraw/zinc/05/51/32/260055132.db2.gz CGGJDWIRSWSBCC-CABCVRRESA-N 1 0 297.443 0.897 10 0 CCAERO C[C@@H]([NH3+])CC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000261899691 274235296 /nfs/dbraw/zinc/23/52/96/274235296.db2.gz UVNISPDNASBINR-KOLCDFICSA-N 1 0 282.365 0.759 10 0 CCAERO O=S1(=O)Nc2ccccc2CN1C[C@@H]1CC[NH2+]C1 ZINC000095077881 275032573 /nfs/dbraw/zinc/03/25/73/275032573.db2.gz MGJYJNWHPLOXBA-SNVBAGLBSA-N 1 0 267.354 0.768 10 0 CCAERO OCC[N@@H+]1CCCN(c2cnc3c(n2)CCCC3)CC1 ZINC000328670205 275046911 /nfs/dbraw/zinc/04/69/11/275046911.db2.gz MMUCNAPNALQDIV-UHFFFAOYSA-N 1 0 276.384 0.860 10 0 CCAERO CC(=O)N1CC[C@H](C(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])C1 ZINC000261857000 275466715 /nfs/dbraw/zinc/46/67/15/275466715.db2.gz QYXMLPVWCNVUQZ-KGYLQXTDSA-N 1 0 267.373 0.441 10 0 CCAERO CC(C)(C)OC(=O)N1CCn2c(=O)cc(C[NH3+])nc2C1 ZINC000091303458 275521246 /nfs/dbraw/zinc/52/12/46/275521246.db2.gz UBMPSJYUZZTXEU-UHFFFAOYSA-N 1 0 280.328 0.453 10 0 CCAERO CCC[NH2+]CCNC(=O)[C@@H]1CSCN1C(C)=O ZINC000236788765 276017290 /nfs/dbraw/zinc/01/72/90/276017290.db2.gz NOOFNNFLPPYKLP-JTQLQIEISA-N 1 0 259.375 0.024 10 0 CCAERO CN(C)C(=O)CC1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000182180457 276740137 /nfs/dbraw/zinc/74/01/37/276740137.db2.gz JKKCURWAELCJNW-ZDUSSCGKSA-N 1 0 281.400 0.845 10 0 CCAERO CNC(=O)c1ccc(N2C[C@@H]3CCC[C@]3(C[NH3+])C2)nn1 ZINC000380491244 545084472 /nfs/dbraw/zinc/08/44/72/545084472.db2.gz WIQJLRAFQYNUBD-HZMBPMFUSA-N 1 0 275.356 0.401 10 0 CCAERO CC(=O)N1CSC[C@H]1C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261779814 277015562 /nfs/dbraw/zinc/01/55/62/277015562.db2.gz GBCCZJYPVHJNIA-WDEREUQCSA-N 1 0 285.413 0.494 10 0 CCAERO CC(=O)N[C@H](C)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000068223064 277052587 /nfs/dbraw/zinc/05/25/87/277052587.db2.gz RAPRETUHUWUONZ-ZYHUDNBSSA-N 1 0 257.378 0.604 10 0 CCAERO C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000408089529 277055297 /nfs/dbraw/zinc/05/52/97/277055297.db2.gz JSTXOMXWJIWGSE-VXGBXAGGSA-N 1 0 263.345 0.536 10 0 CCAERO C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCCn2ncnc21 ZINC000176453818 277080485 /nfs/dbraw/zinc/08/04/85/277080485.db2.gz RVYRPTJSCXTLTC-WDEREUQCSA-N 1 0 278.360 0.506 10 0 CCAERO COC(=O)[C@](C)(O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000168549679 277142855 /nfs/dbraw/zinc/14/28/55/277142855.db2.gz QFYDJNRTKZDVLA-MRVWCRGKSA-N 1 0 271.357 0.537 10 0 CCAERO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](C(N)=O)[NH2+]C1 ZINC000058041688 277199970 /nfs/dbraw/zinc/19/99/70/277199970.db2.gz VPSNJUHNAUSVKJ-BDAKNGLRSA-N 1 0 257.334 0.365 10 0 CCAERO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC(N)=O)C[C@@H]21 ZINC000186015774 277203376 /nfs/dbraw/zinc/20/33/76/277203376.db2.gz CWFYPZAHHCZIMG-GARJFASQSA-N 1 0 283.372 0.707 10 0 CCAERO C[NH2+][C@@H]1CCCN(C(=O)c2cccc3c2OCC(=O)N3)C1 ZINC000133598959 277294857 /nfs/dbraw/zinc/29/48/57/277294857.db2.gz XNVONINJRBCHDE-SNVBAGLBSA-N 1 0 289.335 0.842 10 0 CCAERO COC(=O)c1cncc(N2CCC[C@@H](C)[C@H]2C[NH3+])n1 ZINC000091418633 277448477 /nfs/dbraw/zinc/44/84/77/277448477.db2.gz GMYDKSZSOGJJQK-MWLCHTKSSA-N 1 0 264.329 0.827 10 0 CCAERO CC(=O)N(C)CC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186545245 277962046 /nfs/dbraw/zinc/96/20/46/277962046.db2.gz UTWPICRXORVDRS-LLVKDONJSA-N 1 0 253.346 0.208 10 0 CCAERO C[C@@H]1CN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C[C@@H](C)O1 ZINC000261944386 288003351 /nfs/dbraw/zinc/00/33/51/288003351.db2.gz NKNRTOKFQFYBJI-OXHZDVMGSA-N 1 0 292.383 0.359 10 0 CCAERO C[C@@]1(NC(=O)N[C@@H]2CCCC[NH2+]C2)CCCOC1 ZINC000333892041 278126810 /nfs/dbraw/zinc/12/68/10/278126810.db2.gz YITCQCVBFIKGAI-DGCLKSJQSA-N 1 0 255.362 0.997 10 0 CCAERO C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000408049313 278187016 /nfs/dbraw/zinc/18/70/16/278187016.db2.gz XZANRSABFIJUAE-FRRDWIJNSA-N 1 0 281.400 0.687 10 0 CCAERO CC1(C)CN(C(=O)N[C@H]2CCCOC2)CC[C@@H]1[NH3+] ZINC000334912872 278306984 /nfs/dbraw/zinc/30/69/84/278306984.db2.gz MYLJDGXOIHIGNX-QWRGUYRKSA-N 1 0 255.362 0.934 10 0 CCAERO C[C@@H]([NH3+])[C@H](C)C(=O)N1CCCN(c2cccnn2)CC1 ZINC000192111740 278314774 /nfs/dbraw/zinc/31/47/74/278314774.db2.gz HQDHGVLCEHDNHY-NWDGAFQWSA-N 1 0 277.372 0.499 10 0 CCAERO C[C@@H]1CCN(C(=O)N[C@@H]2CCn3ccnc3C2)[C@@H](C[NH3+])C1 ZINC000333616080 278534212 /nfs/dbraw/zinc/53/42/12/278534212.db2.gz RCHDKWHOUXCBOB-JHJVBQTASA-N 1 0 291.399 0.967 10 0 CCAERO C[C@@H]1C[C@H](C(=O)N2CC[NH+](C3CCCC3)CC2)CC(=O)N1 ZINC000408162693 278942036 /nfs/dbraw/zinc/94/20/36/278942036.db2.gz YNNGUONASOLZAD-OLZOCXBDSA-N 1 0 293.411 0.988 10 0 CCAERO C[C@@H]1NC(=O)CC[C@@H]1NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000333065546 279026345 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JLMIKSZNTBISNI-HUUCEWRRSA-N 1 0 295.427 0.794 10 0 CCAERO C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)C1 ZINC000246006498 289316195 /nfs/dbraw/zinc/31/61/95/289316195.db2.gz HPEQTHYNHGSNTK-JTNHKYCSSA-N 1 0 297.424 0.603 10 0 CCAERO C[NH+](C)[C@H]1CCN(C(=O)C2(S(C)(=O)=O)CCCC2)C1 ZINC000408020980 289381797 /nfs/dbraw/zinc/38/17/97/289381797.db2.gz FTESKFLWXXMLHH-NSHDSACASA-N 1 0 288.413 0.506 10 0 CCAERO CNC(=O)CCCN(C)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000123242928 290377778 /nfs/dbraw/zinc/37/77/78/290377778.db2.gz RIUNQRWRRSYUSY-STQMWFEESA-N 1 0 298.431 0.883 10 0 CCAERO [NH3+]C1(C(=O)N2CCN3CCCC[C@H]3C2)CCCC1 ZINC000037812783 295201474 /nfs/dbraw/zinc/20/14/74/295201474.db2.gz FDKGJSIVMXNKHA-LBPRGKRZSA-N 1 0 251.374 0.955 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N1CCOCC1 ZINC000113367064 297093319 /nfs/dbraw/zinc/09/33/19/297093319.db2.gz HHUZOEFGKBJJRM-VXGBXAGGSA-N 1 0 253.346 0.607 10 0 CCAERO NC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000262625458 303278622 /nfs/dbraw/zinc/27/86/22/303278622.db2.gz RXMDNODZJSIXBG-MXWKQRLJSA-N 1 0 268.361 0.163 10 0 CCAERO NC(=O)[C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000408214656 303298183 /nfs/dbraw/zinc/29/81/83/303298183.db2.gz OGXSPLKJBHNNOO-OLZOCXBDSA-N 1 0 279.384 0.585 10 0 CCAERO O=C(N[C@H]1CCCC[NH2+]C1)N1CC2(C1)CCCOC2 ZINC000333659213 303949671 /nfs/dbraw/zinc/94/96/71/303949671.db2.gz LHIYLXUDXHQKLJ-LBPRGKRZSA-N 1 0 267.373 0.951 10 0 CCAERO CCN(CC)C(=O)CCCNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170830641 327664016 /nfs/dbraw/zinc/66/40/16/327664016.db2.gz JTEPUBZCIMQARG-ZDUSSCGKSA-N 1 0 298.431 0.981 10 0 CCAERO CC(=O)N1CCC[C@H](C(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000170858842 327667527 /nfs/dbraw/zinc/66/75/27/327667527.db2.gz VHYHIOOHGOUEAD-STQMWFEESA-N 1 0 267.373 0.407 10 0 CCAERO CCc1ccc(S(=O)(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000583313105 329448371 /nfs/dbraw/zinc/44/83/71/329448371.db2.gz PQIPKBUZHGRUGB-UONOGXRCSA-N 1 0 296.392 0.610 10 0 CCAERO C[NH+](C)C[C@H]1CN(C(=O)NCC2CCC2)CCO1 ZINC000172123848 335095570 /nfs/dbraw/zinc/09/55/70/335095570.db2.gz RKHDFPNUZCWSMN-LBPRGKRZSA-N 1 0 255.362 0.759 10 0 CCAERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCc1cccc(C(N)=O)c1 ZINC000384230016 336122712 /nfs/dbraw/zinc/12/27/12/336122712.db2.gz GBVNLAMNCXHJQN-MFKMUULPSA-N 1 0 275.352 0.790 10 0 CCAERO COCCn1cc(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)cn1 ZINC000384234701 336122753 /nfs/dbraw/zinc/12/27/53/336122753.db2.gz HVJPGOZHDFMJPZ-PWSUYJOCSA-N 1 0 266.345 0.856 10 0 CCAERO CC[NH2+]CCS(=O)(=O)Nc1ccc2c(c1)OCO2 ZINC000049631624 519925703 /nfs/dbraw/zinc/92/57/03/519925703.db2.gz VOFAMANXGLFQIE-UHFFFAOYSA-N 1 0 272.326 0.767 10 0 CCAERO CC[NH2+]Cc1nnnn1-c1ccc(OC)c(OC)c1 ZINC000054744886 520025588 /nfs/dbraw/zinc/02/55/88/520025588.db2.gz KDSYGDKYRIRTPV-UHFFFAOYSA-N 1 0 263.301 0.789 10 0 CCAERO CCOC(=O)[C@](C)(N)CN1CC[NH+]([C@H](C)CC)CC1 ZINC000055070687 521328369 /nfs/dbraw/zinc/32/83/69/521328369.db2.gz POQWEDWIOCYLRN-TZMCWYRMSA-N 1 0 271.405 0.683 10 0 CCAERO CCNC(=O)CN(C)C(=O)[C@@H]1CCC[C@H](C)[C@@H]1[NH3+] ZINC000055139544 521736151 /nfs/dbraw/zinc/73/61/51/521736151.db2.gz FMSHLTLWEUWIGU-UMNHJUIQSA-N 1 0 255.362 0.344 10 0 CCAERO C[NH+](C)C[C@H]1CCCN1c1ccc(N)cc1C(N)=O ZINC000061655736 521872956 /nfs/dbraw/zinc/87/29/56/521872956.db2.gz DUFRIMDYFQBVIT-LLVKDONJSA-N 1 0 262.357 0.898 10 0 CCAERO CN[C@H](CC[N@H+](CCCOC)CCOC)C(=O)OC ZINC000062462780 522459285 /nfs/dbraw/zinc/45/92/85/522459285.db2.gz IMSIZMAAXZTFNN-GFCCVEGCSA-N 1 0 276.377 0.122 10 0 CCAERO CC(C)N(CC(N)=O)C(=O)[C@H]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000055129064 519639924 /nfs/dbraw/zinc/63/99/24/519639924.db2.gz CVNVBOBKHBXPRP-DCAQKATOSA-N 1 0 255.362 0.472 10 0 CCAERO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@H](CO)c1ccccc1 ZINC000182904005 519711213 /nfs/dbraw/zinc/71/12/13/519711213.db2.gz AYPGYVWVVHYYMM-DGCLKSJQSA-N 1 0 293.367 0.932 10 0 CCAERO CC(C)CN(CC(N)=O)C(=O)[C@@H]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000055138551 519714231 /nfs/dbraw/zinc/71/42/31/519714231.db2.gz UNEKCCIUKBGIIX-UTUOFQBUSA-N 1 0 269.389 0.720 10 0 CCAERO CC(C)c1ncc(N)c(C(=O)NC[C@H](C)[NH+](C)C)n1 ZINC000050708833 519876555 /nfs/dbraw/zinc/87/65/55/519876555.db2.gz CSPBERUKYPVFQK-VIFPVBQESA-N 1 0 265.361 0.862 10 0 CCAERO CCCNC(=O)CNC(=O)[C@H]1CCC[C@H](C)[C@@H]1[NH3+] ZINC000055128658 519879303 /nfs/dbraw/zinc/87/93/03/519879303.db2.gz CHPHLVWLVOULMA-NHCYSSNCSA-N 1 0 255.362 0.392 10 0 CCAERO CC[NH2+]C1CCN(CC(=O)NCC(F)(F)F)CC1 ZINC000049309451 519908910 /nfs/dbraw/zinc/90/89/10/519908910.db2.gz CILMFJRHNOGXAM-UHFFFAOYSA-N 1 0 267.295 0.739 10 0 CCAERO CC[NH2+][C@@H](C)CC(=O)NCc1cccc(C(N)=O)c1 ZINC000061273766 520065147 /nfs/dbraw/zinc/06/51/47/520065147.db2.gz YBIOQMBBEPOORB-JTQLQIEISA-N 1 0 263.341 0.790 10 0 CCAERO CCC[C@H]([NH3+])C(=O)N(CC)CCS(C)(=O)=O ZINC000182720504 521105490 /nfs/dbraw/zinc/10/54/90/521105490.db2.gz YMOFWLXZORMMQZ-VIFPVBQESA-N 1 0 250.364 0.007 10 0 CCAERO CCN(Cc1ccncc1)S(=O)(=O)CC[NH2+]C ZINC000049630356 521421754 /nfs/dbraw/zinc/42/17/54/521421754.db2.gz AOLGFSCVICDINI-UHFFFAOYSA-N 1 0 257.359 0.453 10 0 CCAERO CCCN(CC(=O)N(C)C)C(=O)C[C@@H](C)[NH2+]CC ZINC000061273017 521526388 /nfs/dbraw/zinc/52/63/88/521526388.db2.gz OVOQPORXDALPSN-LLVKDONJSA-N 1 0 257.378 0.701 10 0 CCAERO COCC[C@@H]([NH3+])C(=O)N(Cc1cccnc1)C1CC1 ZINC000052808369 521820080 /nfs/dbraw/zinc/82/00/80/521820080.db2.gz SUDWASDYHRYDMO-CYBMUJFWSA-N 1 0 263.341 0.936 10 0 CCAERO C[NH2+]CC1(CN2CCS(=O)(=O)CC2)CCCCC1 ZINC000051217971 521968579 /nfs/dbraw/zinc/96/85/79/521968579.db2.gz ZBIODMXDLDBLOM-UHFFFAOYSA-N 1 0 274.430 0.887 10 0 CCAERO COC[C@@H](C)NC(=O)C[NH2+][C@@H](C)Cn1ccnc1 ZINC000049291052 522227671 /nfs/dbraw/zinc/22/76/71/522227671.db2.gz RLVWUGGMAJLRAP-WDEREUQCSA-N 1 0 254.334 0.012 10 0 CCAERO CN(C1CCOCC1)S(=O)(=O)C[C@H]1CCCC[NH2+]1 ZINC000049631163 522415229 /nfs/dbraw/zinc/41/52/29/522415229.db2.gz WZCXINKTQAFLPK-LLVKDONJSA-N 1 0 276.402 0.569 10 0 CCAERO CC[C@H]([NH2+]C)c1cnn([C@@H]2CCS(=O)(=O)C2)c1 ZINC000054722164 522556738 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/nfs/dbraw/zinc/02/34/62/137023462.db2.gz XWESWAZBMMYBKJ-IJLUTSLNSA-N 1 0 267.373 0.487 10 0 CCAERO CCNC(=O)N1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261878344 137023990 /nfs/dbraw/zinc/02/39/90/137023990.db2.gz YRLIHMVKYJUNQM-IJLUTSLNSA-N 1 0 282.388 0.281 10 0 CCAERO C[C@@H]([NH3+])CC(=O)NCc1cccc(NC(N)=O)c1 ZINC000261899771 137024498 /nfs/dbraw/zinc/02/44/98/137024498.db2.gz UWTMJRZAAFKZAN-MRVPVSSYSA-N 1 0 250.302 0.531 10 0 CCAERO COc1ccc(SCC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000261897526 137024572 /nfs/dbraw/zinc/02/45/72/137024572.db2.gz ACFCSBMXHVYIRU-MFKMUULPSA-N 1 0 296.392 0.484 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000262156472 137028768 /nfs/dbraw/zinc/02/87/68/137028768.db2.gz IBZCQKFCIJKFKS-QEWYBTABSA-N 1 0 286.375 0.587 10 0 CCAERO COc1cc2c(cc1CNC(=O)C1C[NH2+]C1)O[C@@H](C)C2 ZINC000262212674 137030886 /nfs/dbraw/zinc/03/08/86/137030886.db2.gz JCKDNFMYUGZBOV-VIFPVBQESA-N 1 0 276.336 0.854 10 0 CCAERO CSc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)o1 ZINC000262218835 137031656 /nfs/dbraw/zinc/03/16/56/137031656.db2.gz JJIVZNABSQAAAO-HTQZYQBOSA-N 1 0 256.327 0.312 10 0 CCAERO O=C(CNC(=O)C1C[NH2+]C1)Nc1ccc(Cl)cc1 ZINC000262242452 137032889 /nfs/dbraw/zinc/03/28/89/137032889.db2.gz OAQVDFBJYIMINO-UHFFFAOYSA-N 1 0 267.716 0.614 10 0 CCAERO O=C(Cc1c(F)cccc1Cl)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262242113 137032947 /nfs/dbraw/zinc/03/29/47/137032947.db2.gz KZZPQTWGUPXSPQ-PRHODGIISA-N 1 0 286.734 0.718 10 0 CCAERO COc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1F ZINC000262272034 137034367 /nfs/dbraw/zinc/03/43/67/137034367.db2.gz NBCFKKGPMOEKAV-KOLCDFICSA-N 1 0 268.288 0.144 10 0 CCAERO Cc1nc2ccccc2n1CC(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262293254 137036054 /nfs/dbraw/zinc/03/60/54/137036054.db2.gz OWRBNWSDQFBWHJ-BXUZGUMPSA-N 1 0 288.351 0.041 10 0 CCAERO Cc1nc(C)c(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)s1 ZINC000262312030 137036686 /nfs/dbraw/zinc/03/66/86/137036686.db2.gz QLVSCEWYWMPHRW-DTWKUNHWSA-N 1 0 255.343 0.070 10 0 CCAERO O=C(Nc1ccnc2ccncc21)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262311694 137037115 /nfs/dbraw/zinc/03/71/15/137037115.db2.gz BMEJQABNOUDPSL-PELKAZGASA-N 1 0 258.281 0.291 10 0 CCAERO Cc1ccc(OCC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262329115 137037746 /nfs/dbraw/zinc/03/77/46/137037746.db2.gz SDMWAISBHZYYAT-YPMHNXCESA-N 1 0 264.325 0.070 10 0 CCAERO C[C@H](Oc1cccc(F)c1)C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262328990 137038156 /nfs/dbraw/zinc/03/81/56/137038156.db2.gz SBZKOBFZZRELON-OUJBWJOFSA-N 1 0 282.315 0.290 10 0 CCAERO CC(C)COC[C@@H](O)CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262332401 137038761 /nfs/dbraw/zinc/03/87/61/137038761.db2.gz FDSPESMLPTZCND-AVGNSLFASA-N 1 0 272.389 0.524 10 0 CCAERO O=C(NCc1cnn(Cc2ccccc2)c1)C1C[NH2+]C1 ZINC000263235496 137061505 /nfs/dbraw/zinc/06/15/05/137061505.db2.gz BNIFUCFMTRGJKE-UHFFFAOYSA-N 1 0 270.336 0.767 10 0 CCAERO CO[C@@H](C)c1nc(CNC(=O)C2C[NH2+]C2)cs1 ZINC000263276215 137062565 /nfs/dbraw/zinc/06/25/65/137062565.db2.gz IZDRDEPEPBDQOL-ZETCQYMHSA-N 1 0 255.343 0.686 10 0 CCAERO C[C@@H](CNC(=O)C1C[NH2+]C1)Oc1cccc(F)c1 ZINC000263294892 137063065 /nfs/dbraw/zinc/06/30/65/137063065.db2.gz MEZWYSJCLJHGIB-VIFPVBQESA-N 1 0 252.289 0.929 10 0 CCAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1ccnn1-c1ccccc1 ZINC000263290091 137063086 /nfs/dbraw/zinc/06/30/86/137063086.db2.gz VNOJAEKADGQRQY-SWLSCSKDSA-N 1 0 272.352 0.542 10 0 CCAERO CN1CC[NH2+]C[C@@H]1c1noc(C[C@@H]2CCCO2)n1 ZINC000263309571 137063861 /nfs/dbraw/zinc/06/38/61/137063861.db2.gz YJBDFYUYUHPLSC-VHSXEESVSA-N 1 0 252.318 0.367 10 0 CCAERO O=C(NCCOc1ccc(Cl)cn1)C1C[NH2+]C1 ZINC000263340618 137064103 /nfs/dbraw/zinc/06/41/03/137064103.db2.gz XIPASQYHBMPFMO-UHFFFAOYSA-N 1 0 255.705 0.449 10 0 CCAERO C[C@H](CNC(=O)C1C[NH2+]C1)Oc1ccccc1F ZINC000263343650 137064665 /nfs/dbraw/zinc/06/46/65/137064665.db2.gz YJBJFEHVCMLQIY-SECBINFHSA-N 1 0 252.289 0.929 10 0 CCAERO C[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2CCCCC(=O)N2)C1 ZINC000332732073 137080173 /nfs/dbraw/zinc/08/01/73/137080173.db2.gz MKOLVCGJADJXSP-RYUDHWBXSA-N 1 0 267.373 0.503 10 0 CCAERO CN1CC[NH2+]C[C@@H]1c1noc(C[C@H]2CCOC2)n1 ZINC000263206469 137060373 /nfs/dbraw/zinc/06/03/73/137060373.db2.gz JSRCGSWDHBGDCJ-NXEZZACHSA-N 1 0 252.318 0.225 10 0 CCAERO CN1CC[NH2+]C[C@H]1c1noc(C[C@@H]2CCOC2)n1 ZINC000263206470 137060563 /nfs/dbraw/zinc/06/05/63/137060563.db2.gz JSRCGSWDHBGDCJ-UWVGGRQHSA-N 1 0 252.318 0.225 10 0 CCAERO Cc1cc(-c2nc([C@@H]3C[NH2+]CCN3C)no2)n(C)n1 ZINC000263218779 137060599 /nfs/dbraw/zinc/06/05/99/137060599.db2.gz LLCCPYYKOVRNDA-JTQLQIEISA-N 1 0 262.317 0.355 10 0 CCAERO Cn1c(CNC[C@@H]2C[NH2+]C[C@@H]2O)nc2ccccc21 ZINC000263228111 137060893 /nfs/dbraw/zinc/06/08/93/137060893.db2.gz NBXJCKJDGDXWPI-GWCFXTLKSA-N 1 0 260.341 0.243 10 0 CCAERO C[C@H]1C[NH+](CC2CCN(C(N)=O)CC2)C[C@H](C)O1 ZINC000171325825 290838846 /nfs/dbraw/zinc/83/88/46/290838846.db2.gz BWRREAXAJROQDF-QWRGUYRKSA-N 1 0 255.362 0.886 10 0 CCAERO CO[C@H]1C[C@H](CO)[N@H+](CCC(=O)OC(C)(C)C)C1 ZINC000344701088 137208637 /nfs/dbraw/zinc/20/86/37/137208637.db2.gz CVOUFHNLCWLQFC-MNOVXSKESA-N 1 0 259.346 0.800 10 0 CCAERO CCC[C@@H]([NH3+])C(=O)NC1CCN(C(=O)OCC)CC1 ZINC000036873023 348173591 /nfs/dbraw/zinc/17/35/91/348173591.db2.gz MGJGZMVIJYKSCQ-LLVKDONJSA-N 1 0 271.361 0.851 10 0 CCAERO C[C@H](Cn1cccn1)NC(=O)C1CCC([NH3+])CC1 ZINC000037626588 348195005 /nfs/dbraw/zinc/19/50/05/348195005.db2.gz RNJJAEODPWGKFC-VOMCLLRMSA-N 1 0 250.346 0.905 10 0 CCAERO C[NH+](C)C[C@H](NC(=O)CSCC(N)=O)c1ccccc1 ZINC000042396044 348278233 /nfs/dbraw/zinc/27/82/33/348278233.db2.gz DEVCOVPURHHAQB-LBPRGKRZSA-N 1 0 295.408 0.624 10 0 CCAERO C[C@@H](C[NH2+]C[C@@H](O)COCc1ccco1)N(C)C ZINC000044317159 348318821 /nfs/dbraw/zinc/31/88/21/348318821.db2.gz RUAYHBPUKLXLKM-NWDGAFQWSA-N 1 0 256.346 0.697 10 0 CCAERO CN1CCN(C(=O)c2ccc(NN)[nH+]c2)CC1(C)C ZINC000104135739 185905251 /nfs/dbraw/zinc/90/52/51/185905251.db2.gz FUFQLTBYTGOOQX-UHFFFAOYSA-N 1 0 263.345 0.533 10 0 CCAERO OC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc2c(c1)OCCO2 ZINC000273366303 192128021 /nfs/dbraw/zinc/12/80/21/192128021.db2.gz DLIMIFKQMDPJPZ-VXGBXAGGSA-N 1 0 265.309 0.385 10 0 CCAERO CCN(CC(C)(C)O)C(=O)NC[C@H]1CN(C)CCO1 ZINC000120552992 349992198 /nfs/dbraw/zinc/99/21/98/349992198.db2.gz COQMZWPHXSLQLA-NSHDSACASA-N 1 0 273.377 0.119 10 0 CCAERO Cc1ccc([C@@H](C)NC(=O)C(=O)N2CC[NH2+]CC2)o1 ZINC000049230881 348446178 /nfs/dbraw/zinc/44/61/78/348446178.db2.gz REAKAGWGVOAORL-SNVBAGLBSA-N 1 0 265.313 0.197 10 0 CCAERO CC(C)C[C@@H](CN(C)C)[NH2+]C[C@H](O)CN1CCOCC1 ZINC000049555615 348456497 /nfs/dbraw/zinc/45/64/97/348456497.db2.gz QSMIRNMOXGGLAL-GJZGRUSLSA-N 1 0 287.448 0.245 10 0 CCAERO CC(C)C[C@@H](CN(C)C)[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000049555617 348456535 /nfs/dbraw/zinc/45/65/35/348456535.db2.gz QSMIRNMOXGGLAL-LSDHHAIUSA-N 1 0 287.448 0.245 10 0 CCAERO C[NH2+][C@H](C)C(=O)Nc1ccc(OCC(=O)OC)cc1 ZINC000054073098 348540146 /nfs/dbraw/zinc/54/01/46/348540146.db2.gz OTCQZJMIVQMGPB-SECBINFHSA-N 1 0 266.297 0.785 10 0 CCAERO C[NH2+][C@H](C)C(=O)N(C)Cc1ccc(O)c(OC)c1 ZINC000054075468 348540962 /nfs/dbraw/zinc/54/09/62/348540962.db2.gz XLWGIGXYJJXXCQ-SECBINFHSA-N 1 0 252.314 0.967 10 0 CCAERO C[NH2+][C@H](C)C(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000054074518 348541320 /nfs/dbraw/zinc/54/13/20/348541320.db2.gz QCHUVDVHKHJFOM-MRVPVSSYSA-N 1 0 256.327 0.637 10 0 CCAERO CCCNC(=O)CCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054292325 348548103 /nfs/dbraw/zinc/54/81/03/348548103.db2.gz HNKYOEVSPXZULE-NSHDSACASA-N 1 0 255.362 0.409 10 0 CCAERO CCN(CC)C(=O)CN(C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054291432 348548176 /nfs/dbraw/zinc/54/81/76/348548176.db2.gz CMZKSKPKZIZCRK-LBPRGKRZSA-N 1 0 269.389 0.703 10 0 CCAERO O=C(CC[N@@H+]1CCO[C@H]2CCCC[C@@H]21)N1CCOCC1 ZINC000051997092 348502338 /nfs/dbraw/zinc/50/23/38/348502338.db2.gz RXEWXZZZEUTJBC-KBPBESRZSA-N 1 0 282.384 0.879 10 0 CCAERO Cc1c(F)cccc1NC(=O)CNC[C@H]1C[NH2+]CCO1 ZINC000065408251 348714601 /nfs/dbraw/zinc/71/46/01/348714601.db2.gz HAGAKLBQESSKEZ-LLVKDONJSA-N 1 0 281.331 0.651 10 0 CCAERO O=C(CN1CCC([NH+]2CCCC2)CC1)N1CCNC1=O ZINC000066532980 348747505 /nfs/dbraw/zinc/74/75/05/348747505.db2.gz JUZZODFJEUUYQB-UHFFFAOYSA-N 1 0 280.372 0.098 10 0 CCAERO [NH3+]C1CCC(CCC(=O)N[C@@H]2CCC(=O)NC2)CC1 ZINC000104233600 185938793 /nfs/dbraw/zinc/93/87/93/185938793.db2.gz HCNFITUQAXFEFD-HTAVTVPLSA-N 1 0 267.373 0.679 10 0 CCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCCOC[C@@H]1CCCO1 ZINC000104228822 185936660 /nfs/dbraw/zinc/93/66/60/185936660.db2.gz LSDAATYASGMMNL-FRRDWIJNSA-N 1 0 270.373 0.544 10 0 CCAERO COCc1noc(-c2cccnc2N2CC[C@@H]([NH3+])C2)n1 ZINC000070457966 348890528 /nfs/dbraw/zinc/89/05/28/348890528.db2.gz QGWWAUGSALOHIW-SECBINFHSA-N 1 0 275.312 0.815 10 0 CCAERO C[C@@H](O)[C@@H]([NH3+])CNc1ncccc1Br ZINC000070826319 348898250 /nfs/dbraw/zinc/89/82/50/348898250.db2.gz XRXTVBZPDICVCM-SVRRBLITSA-N 1 0 260.135 0.964 10 0 CCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCc2scnc2C)C1 ZINC000071213494 348905780 /nfs/dbraw/zinc/90/57/80/348905780.db2.gz SZDUHHPLKXCHIF-RKDXNWHRSA-N 1 0 255.343 0.445 10 0 CCAERO CCOC[C@H]1CCC[N@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC000073166609 348946015 /nfs/dbraw/zinc/94/60/15/348946015.db2.gz PGENBDCGLYPFEA-KBPBESRZSA-N 1 0 284.400 0.718 10 0 CCAERO CCCNC(=O)CN1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000071997626 348915095 /nfs/dbraw/zinc/91/50/95/348915095.db2.gz DPVGUIAVYMSYBN-ZDUSSCGKSA-N 1 0 283.416 0.698 10 0 CCAERO CCn1ccc(=O)n(CC[C@H]2CCCC[NH2+]2)c1=O ZINC000104288288 185955681 /nfs/dbraw/zinc/95/56/81/185955681.db2.gz AWARBCCSGOBODD-LLVKDONJSA-N 1 0 251.330 0.562 10 0 CCAERO CC[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000075022289 349018270 /nfs/dbraw/zinc/01/82/70/349018270.db2.gz QUPUYDHCXZGBGW-RWMBFGLXSA-N 1 0 281.400 0.831 10 0 CCAERO C[C@H]1C[C@H]1NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000076056507 349066484 /nfs/dbraw/zinc/06/64/84/349066484.db2.gz UVCOIOQPHNIXED-WCQYABFASA-N 1 0 268.405 0.720 10 0 CCAERO CC1(C)CC(NC(=O)N2CCO[C@@H](CO)C2)CC(C)(C)[NH2+]1 ZINC000078823671 349155091 /nfs/dbraw/zinc/15/50/91/349155091.db2.gz VFRLMCVSCUKETB-GFCCVEGCSA-N 1 0 299.415 0.698 10 0 CCAERO CCNS(=O)(=O)c1ccccc1NCCOCC[NH3+] ZINC000104314034 185964209 /nfs/dbraw/zinc/96/42/09/185964209.db2.gz PWZKMMBARWUZQU-UHFFFAOYSA-N 1 0 287.385 0.372 10 0 CCAERO NC(=O)[C@@H]([NH3+])Cc1cc(Br)ccc1F ZINC000083144683 349302963 /nfs/dbraw/zinc/30/29/63/349302963.db2.gz JTHUHZAUPUTEKP-QMMMGPOBSA-N 1 0 261.094 0.943 10 0 CCAERO C[C@H]1C[C@H]1NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000083210932 349303341 /nfs/dbraw/zinc/30/33/41/349303341.db2.gz RUORPKHHCYZWNH-WCQYABFASA-N 1 0 267.373 0.901 10 0 CCAERO CCN([C@@H](C)C(=O)NCCCOC)[C@@H]1CCC[NH2+]C1 ZINC000104339699 185975376 /nfs/dbraw/zinc/97/53/76/185975376.db2.gz MAAVHANEHXVQCD-QWHCGFSZSA-N 1 0 271.405 0.602 10 0 CCAERO COc1ccc(C(=O)N(C)C2C[NH2+]C2)cc1OC ZINC000090289851 179950975 /nfs/dbraw/zinc/95/09/75/179950975.db2.gz GHJOFCLBDAGKJD-UHFFFAOYSA-N 1 0 250.298 0.748 10 0 CCAERO CCC[C@H](C(=O)N(C)CCCC(=O)NC)[NH+](C)C ZINC000121476331 350040763 /nfs/dbraw/zinc/04/07/63/350040763.db2.gz GTGGYCLVDWTLQW-LLVKDONJSA-N 1 0 257.378 0.701 10 0 CCAERO C[C@H]1C[C@@H]1CN(C)S(=O)(=O)N1CCC[NH2+]CC1 ZINC000104426851 185998232 /nfs/dbraw/zinc/99/82/32/185998232.db2.gz ODNYJHKFEXDPBR-WDEREUQCSA-N 1 0 261.391 0.114 10 0 CCAERO C[C@@H]([NH3+])C1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000104433453 186000685 /nfs/dbraw/zinc/00/06/85/186000685.db2.gz WJADYWHUNWLQHF-SNVBAGLBSA-N 1 0 283.397 0.898 10 0 CCAERO [NH3+][C@@H]1CCN(c2ncc(I)cn2)C1 ZINC000126244682 350141792 /nfs/dbraw/zinc/14/17/92/350141792.db2.gz RCPCBAWGCRKRIT-SSDOTTSWSA-N 1 0 290.108 0.619 10 0 CCAERO O=C(N[C@H]1CCc2ncnn2C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000127040596 350160459 /nfs/dbraw/zinc/16/04/59/350160459.db2.gz CTERLAPSNXUWNX-GXTWGEPZSA-N 1 0 289.383 0.584 10 0 CCAERO Cc1noc(C)c1S(=O)(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000104748774 186020143 /nfs/dbraw/zinc/02/01/43/186020143.db2.gz LYHGPUZDDADRKC-LLVKDONJSA-N 1 0 287.385 0.864 10 0 CCAERO CC(=O)N1CCC[C@H](C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)C1 ZINC000128291376 350189927 /nfs/dbraw/zinc/18/99/27/350189927.db2.gz MDPNHNSAYATBSJ-IHRRRGAJSA-N 1 0 281.400 0.844 10 0 CCAERO CN(CC(C)(C)O)C(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 ZINC000129577336 350217633 /nfs/dbraw/zinc/21/76/33/350217633.db2.gz GNZSLJBYVIHEDV-QWRGUYRKSA-N 1 0 257.378 0.881 10 0 CCAERO O=C(CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)N1CCCC1 ZINC000105101566 186042088 /nfs/dbraw/zinc/04/20/88/186042088.db2.gz QYEQHEBQKNWROV-ZDUSSCGKSA-N 1 0 294.399 0.489 10 0 CCAERO COCC[N@H+](C)CCCNC(=O)[C@H]1CC[C@H](C)O1 ZINC000130939113 350255368 /nfs/dbraw/zinc/25/53/68/350255368.db2.gz GYLOWDKTVBVOGB-NWDGAFQWSA-N 1 0 258.362 0.638 10 0 CCAERO Cn1cnc(CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)n1 ZINC000132112871 350297048 /nfs/dbraw/zinc/29/70/48/350297048.db2.gz LPKCTNNYXODZDF-ZDUSSCGKSA-N 1 0 287.367 0.604 10 0 CCAERO O=C(NCc1ccc2c(c1)C[NH2+]C2)[C@H]1CNC(=O)C1 ZINC000134498069 350366834 /nfs/dbraw/zinc/36/68/34/350366834.db2.gz SQTQEUVKQRFTQX-GFCCVEGCSA-N 1 0 259.309 0.042 10 0 CCAERO COC(=O)CCCN(C)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000133253825 350330149 /nfs/dbraw/zinc/33/01/49/350330149.db2.gz XSQKGBGBMDOKDJ-CYBMUJFWSA-N 1 0 256.346 0.930 10 0 CCAERO CCCC[C@H](NC(N)=O)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000105807845 186072910 /nfs/dbraw/zinc/07/29/10/186072910.db2.gz CFBIVDYAZQBFQH-NEPJUHHUSA-N 1 0 284.404 0.814 10 0 CCAERO C[NH+](C)CC(=O)N1CCCN(c2cccnn2)CC1 ZINC000105867795 186081391 /nfs/dbraw/zinc/08/13/91/186081391.db2.gz TVHFQZFEPRDDAH-UHFFFAOYSA-N 1 0 263.345 0.077 10 0 CCAERO CCOC(=O)[C@H](C)N1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000105827789 186073438 /nfs/dbraw/zinc/07/34/38/186073438.db2.gz CKFUYOANAUJVSD-FRRDWIJNSA-N 1 0 272.389 0.715 10 0 CCAERO CCCCNC(=O)CN1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000105821164 186074278 /nfs/dbraw/zinc/07/42/78/186074278.db2.gz UHPBIZHICSQZHG-CHWSQXEVSA-N 1 0 271.405 0.290 10 0 CCAERO COC(C[NH+]1CCC(N2CCO[C@H](C)C2)CC1)OC ZINC000136746275 350428007 /nfs/dbraw/zinc/42/80/07/350428007.db2.gz USEMFBXOAKBCQD-GFCCVEGCSA-N 1 0 272.389 0.790 10 0 CCAERO COCC[N@@H+]1CCN(CCn2c(C)csc2=O)C[C@H]1C ZINC000105832583 186075920 /nfs/dbraw/zinc/07/59/20/186075920.db2.gz VKWAPBCNZDRBCY-GFCCVEGCSA-N 1 0 299.440 0.871 10 0 CCAERO C[NH+](C)C[C@H]1CN(CC(=O)Nc2ccccc2)CCO1 ZINC000105925757 186090547 /nfs/dbraw/zinc/09/05/47/186090547.db2.gz LJIQYGAZIIFHPF-AWEZNQCLSA-N 1 0 277.368 0.888 10 0 CCAERO CCCCNC(=O)CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000105927628 186091734 /nfs/dbraw/zinc/09/17/34/186091734.db2.gz BRIUERNQOPNSFS-LBPRGKRZSA-N 1 0 257.378 0.165 10 0 CCAERO CCCCCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C)CCO1 ZINC000105933062 186091765 /nfs/dbraw/zinc/09/17/65/186091765.db2.gz OYDXDVWJABONPG-CHWSQXEVSA-N 1 0 271.405 0.602 10 0 CCAERO CC(C)CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000105932879 186092960 /nfs/dbraw/zinc/09/29/60/186092960.db2.gz VSPYYSLYEMJNPN-OLZOCXBDSA-N 1 0 271.405 0.457 10 0 CCAERO CS(=O)(=O)c1ccc(-n2cc(C[NH3+])cn2)cc1 ZINC000140206714 350449768 /nfs/dbraw/zinc/44/97/68/350449768.db2.gz YUJALCHCCGVONW-UHFFFAOYSA-N 1 0 251.311 0.735 10 0 CCAERO COC(=O)[C@@H](C)CN1CC[NH+](C[C@H](C)C(=O)OC)CC1 ZINC000140551243 350451884 /nfs/dbraw/zinc/45/18/84/350451884.db2.gz OYEAATPGRAYXLC-RYUDHWBXSA-N 1 0 286.372 0.222 10 0 CCAERO O=C(NC[C@@H](O)CN1CCOCC1)c1cccc(F)c1 ZINC000154110303 350575662 /nfs/dbraw/zinc/57/56/62/350575662.db2.gz NKOFXJLDGCAYEE-CYBMUJFWSA-N 1 0 282.315 0.249 10 0 CCAERO CC[C@H]1CN(C(=O)C[NH2+]C2CC2)CCN1CCOC ZINC000154654648 350595936 /nfs/dbraw/zinc/59/59/36/350595936.db2.gz JDTGJILFTGHTEH-ZDUSSCGKSA-N 1 0 269.389 0.308 10 0 CCAERO C[C@H](CNC(=O)[C@@H]1CC[C@@H](C)O1)N1CC[NH+](C)CC1 ZINC000154684835 350596946 /nfs/dbraw/zinc/59/69/46/350596946.db2.gz NTPPSBIALCIHSQ-UPJWGTAASA-N 1 0 269.389 0.306 10 0 CCAERO C[C@H]([NH3+])[C@@H]1CN(CN2C(=O)c3ccccc3C2=O)CCO1 ZINC000156522831 350631370 /nfs/dbraw/zinc/63/13/70/350631370.db2.gz SDHHHQVQLVTWGE-GWCFXTLKSA-N 1 0 289.335 0.288 10 0 CCAERO CCC[C@H](C(=O)NCC(C)(C)C(=O)NCC)[NH+](C)C ZINC000162621983 350747794 /nfs/dbraw/zinc/74/77/94/350747794.db2.gz DEPNRQFJGAAISS-LLVKDONJSA-N 1 0 271.405 0.995 10 0 CCAERO C[NH+](C)C[C@H](NC(=O)CCNC(N)=O)c1ccccc1 ZINC000111139890 186357570 /nfs/dbraw/zinc/35/75/70/186357570.db2.gz KEGCFLICQBCHOQ-LBPRGKRZSA-N 1 0 278.356 0.464 10 0 CCAERO COCCN1CC[N@H+](C[C@H](O)COCC(C)C)C[C@@H]1C ZINC000171624272 350922297 /nfs/dbraw/zinc/92/22/97/350922297.db2.gz PVAVNZGHXDCVHJ-GJZGRUSLSA-N 1 0 288.432 0.672 10 0 CCAERO O=C(NCCCN1CCCC1=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171896346 350940859 /nfs/dbraw/zinc/94/08/59/350940859.db2.gz CHXYMGGHVLJRHU-CYBMUJFWSA-N 1 0 294.399 0.489 10 0 CCAERO COC(=O)N[C@@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C(C)C ZINC000170982682 350877238 /nfs/dbraw/zinc/87/72/38/350877238.db2.gz TUGLWEHECKAMRY-VXGBXAGGSA-N 1 0 283.372 0.674 10 0 CCAERO CC(C)CCC(=O)NCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171192376 350892271 /nfs/dbraw/zinc/89/22/71/350892271.db2.gz ADZPCEDRVVBMHO-CYBMUJFWSA-N 1 0 281.400 0.845 10 0 CCAERO C[NH+](C)C[C@@H]1CN(C(=O)NCCc2ccccn2)CCO1 ZINC000172113496 350958538 /nfs/dbraw/zinc/95/85/38/350958538.db2.gz RTDWOOOBQFZRPT-CQSZACIVSA-N 1 0 292.383 0.596 10 0 CCAERO CCOC(=O)NCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000172166186 350963000 /nfs/dbraw/zinc/96/30/00/350963000.db2.gz FBTJSPGBJHCPLD-WDEREUQCSA-N 1 0 269.345 0.428 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cnn(C)c1 ZINC000172254165 350970686 /nfs/dbraw/zinc/97/06/86/350970686.db2.gz BMOJHSGJFMBIOP-WCQYABFASA-N 1 0 277.372 0.798 10 0 CCAERO CN(C)c1nc(N)nc(CN2CCC[N@@H+](C3CC3)CC2)n1 ZINC000172543796 350991891 /nfs/dbraw/zinc/99/18/91/350991891.db2.gz UNLVYJHKKTVCRF-UHFFFAOYSA-N 1 0 291.403 0.190 10 0 CCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NC(=O)NC ZINC000175045360 351116192 /nfs/dbraw/zinc/11/61/92/351116192.db2.gz SNNWHKJVKWDWFM-WDEREUQCSA-N 1 0 268.361 0.001 10 0 CCAERO NC(=O)c1cc(Cl)nnc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000175105277 351118331 /nfs/dbraw/zinc/11/83/31/351118331.db2.gz LISROSRRBZEBKA-MRVPVSSYSA-N 1 0 281.747 0.513 10 0 CCAERO C[C@@H](CNC(=O)c1ncncc1Cl)CN1CCOCC1 ZINC000176605929 351180049 /nfs/dbraw/zinc/18/00/49/351180049.db2.gz GGKANHMRQROYPE-JTQLQIEISA-N 1 0 298.774 0.828 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C1=NN(C)C(=O)CC1 ZINC000176987078 351190390 /nfs/dbraw/zinc/19/03/90/351190390.db2.gz FZWAZACVMBDFDP-LLVKDONJSA-N 1 0 280.372 0.537 10 0 CCAERO COCCCNC(=O)[C@H](C)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177780090 351213563 /nfs/dbraw/zinc/21/35/63/351213563.db2.gz VGYADPABRONQLR-UONOGXRCSA-N 1 0 283.416 0.698 10 0 CCAERO COCCCOCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000180782492 351291529 /nfs/dbraw/zinc/29/15/29/351291529.db2.gz GFSWVQMMKCSLRM-QWHCGFSZSA-N 1 0 270.373 0.735 10 0 CCAERO CC(C)Cn1cc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)cn1 ZINC000181014930 351299073 /nfs/dbraw/zinc/29/90/73/351299073.db2.gz QFEKKVHBGHSXKT-CQSZACIVSA-N 1 0 294.399 0.942 10 0 CCAERO C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)C(F)(F)F)CC1 ZINC000181689446 351331919 /nfs/dbraw/zinc/33/19/19/351331919.db2.gz PNRFODHIORXHFT-JQWIXIFHSA-N 1 0 298.349 0.934 10 0 CCAERO CC[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1nccn1C ZINC000183197047 351376821 /nfs/dbraw/zinc/37/68/21/351376821.db2.gz AGEFIHSUQYTMAG-NEPJUHHUSA-N 1 0 252.362 0.791 10 0 CCAERO CC(C)(C)OC(=O)CNC(=O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000181854537 351339196 /nfs/dbraw/zinc/33/91/96/351339196.db2.gz YLPLBPIQKSYVQG-GFCCVEGCSA-N 1 0 297.399 0.224 10 0 CCAERO COCC[N@@H+]1CCN(Cc2noc(COC)n2)C[C@@H]1C ZINC000182441332 351362751 /nfs/dbraw/zinc/36/27/51/351362751.db2.gz XIVGPPMOBIXRMX-NSHDSACASA-N 1 0 284.360 0.369 10 0 CCAERO CCN(C)C(=O)CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000186189627 351482694 /nfs/dbraw/zinc/48/26/94/351482694.db2.gz CGUUDZYTMCMGFB-RYUDHWBXSA-N 1 0 282.388 0.343 10 0 CCAERO O=C1CCCN1C[C@H](O)C[N@@H+]1CCCC2(CC2)C1 ZINC000186990809 351524620 /nfs/dbraw/zinc/52/46/20/351524620.db2.gz GBTDTSJRGZIYFY-GFCCVEGCSA-N 1 0 252.358 0.846 10 0 CCAERO CN(C)C(=O)CC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119793745 186852324 /nfs/dbraw/zinc/85/23/24/186852324.db2.gz XTAOXJKNXVVDFB-UHFFFAOYSA-N 1 0 269.389 0.701 10 0 CCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)C[C@@H](O)c2ccccc2)C1 ZINC000187854508 351559249 /nfs/dbraw/zinc/55/92/49/351559249.db2.gz LQSXGEHOPFJCOP-SPWCGHHHSA-N 1 0 292.379 0.992 10 0 CCAERO COc1cccc(CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)n1 ZINC000188875115 351635273 /nfs/dbraw/zinc/63/52/73/351635273.db2.gz KAMAXNGJNHYYBL-WCBMZHEXSA-N 1 0 253.277 0.406 10 0 CCAERO COc1cc(CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)cc(OC)c1O ZINC000188885363 351636675 /nfs/dbraw/zinc/63/66/75/351636675.db2.gz CNGUSPOXYKIKMU-VHSXEESVSA-N 1 0 298.314 0.726 10 0 CCAERO O=C(NCCCc1ccccn1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188964256 351642818 /nfs/dbraw/zinc/64/28/18/351642818.db2.gz IARVRRTUCVIZJT-UHFFFAOYSA-N 1 0 285.351 0.813 10 0 CCAERO C[NH2+]CCN(C)C(=O)[C@H](C)NC(=O)COc1ccccc1 ZINC000120587905 186910853 /nfs/dbraw/zinc/91/08/53/186910853.db2.gz RXLCKXPJDWWSTR-LBPRGKRZSA-N 1 0 293.367 0.248 10 0 CCAERO Cn1ncc(Cl)c1C[NH2+]C[C@H]1CN(C)CCO1 ZINC000189153261 351655175 /nfs/dbraw/zinc/65/51/75/351655175.db2.gz HMNDAYTWMZGHFJ-VIFPVBQESA-N 1 0 258.753 0.494 10 0 CCAERO CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000189795669 351702378 /nfs/dbraw/zinc/70/23/78/351702378.db2.gz IQPBTWWJVMCIPC-CYBMUJFWSA-N 1 0 298.431 0.443 10 0 CCAERO CCN(C)C(=O)[C@H](C)NC(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000190278588 351716631 /nfs/dbraw/zinc/71/66/31/351716631.db2.gz TTZIUGKUMKAHCS-NWDGAFQWSA-N 1 0 284.404 0.637 10 0 CCAERO C[C@@H](C(=O)N1CCCCCC1)N1CCCN(C)C(=O)C1 ZINC000191108452 351747431 /nfs/dbraw/zinc/74/74/31/351747431.db2.gz WMWHNSPIGQJUCT-ZDUSSCGKSA-N 1 0 281.400 0.942 10 0 CCAERO CC(C)[NH+]1CCC(NC(=O)N2CCCNC(=O)[C@@H]2C)CC1 ZINC000191145874 351747992 /nfs/dbraw/zinc/74/79/92/351747992.db2.gz QOHUADHUAZNUIG-LBPRGKRZSA-N 1 0 296.415 0.779 10 0 CCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H](O)c2ccccc2C)C1 ZINC000191929961 351778705 /nfs/dbraw/zinc/77/87/05/351778705.db2.gz CJQYOXPRKFJQNN-IACUBPJLSA-N 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CCAERO O=C(c1cccc(F)c1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000335496025 212174470 /nfs/dbraw/zinc/17/44/70/212174470.db2.gz JKAIXBCZKHYIRP-NWDGAFQWSA-N 1 0 250.273 0.639 10 0 CCAERO Cc1ccc(C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)s1 ZINC000335494734 212172746 /nfs/dbraw/zinc/17/27/46/212172746.db2.gz FITYBJIKZRQHQN-VHSXEESVSA-N 1 0 252.339 0.869 10 0 CCAERO COc1cc(C[NH2+][C@H]2CCOC[C@H]2O)cc(OC)c1O ZINC000628467577 369272197 /nfs/dbraw/zinc/27/21/97/369272197.db2.gz YVRXLRIWHTYZEM-WDEREUQCSA-N 1 0 283.324 0.649 10 0 CCAERO O[C@H](C[NH2+][C@@H]1CCOC[C@@H]1O)COc1ccccc1F ZINC000629611163 369740151 /nfs/dbraw/zinc/74/01/51/369740151.db2.gz UJWUHEQCTHOGKR-RTXFEEFZSA-N 1 0 285.315 0.305 10 0 CCAERO O=C(N1CCCC1)N1CCC[C@@H]([NH2+]C2COC2)C1 ZINC000336484056 213356634 /nfs/dbraw/zinc/35/66/34/213356634.db2.gz FBVICJIZLUZFJS-LLVKDONJSA-N 1 0 253.346 0.655 10 0 CCAERO CO[C@H]1CN(CC(=O)NCC(F)(F)F)[C@](C)(C[NH3+])C1 ZINC000630359655 370062178 /nfs/dbraw/zinc/06/21/78/370062178.db2.gz GRKXOLJMSALYLZ-SCZZXKLOSA-N 1 0 283.294 0.103 10 0 CCAERO CO[C@H]1CN(CCCN2CCOCC2)[C@](C)(C[NH3+])C1 ZINC000630362931 370064676 /nfs/dbraw/zinc/06/46/76/370064676.db2.gz BXWYLEBKSJRCAP-KGLIPLIRSA-N 1 0 271.405 0.147 10 0 CCAERO CO[C@H]1CN(C(=O)c2ccc(C)nc2)[C@](C)(C[NH3+])C1 ZINC000630369295 370069603 /nfs/dbraw/zinc/06/96/03/370069603.db2.gz ACWAJBUURMPKRL-OCCSQVGLSA-N 1 0 263.341 0.968 10 0 CCAERO CO[C@H]1CN(C(=O)c2ccncc2F)[C@](C)(C[NH3+])C1 ZINC000630370049 370071324 /nfs/dbraw/zinc/07/13/24/370071324.db2.gz CWRRGCBPDXWTIT-RNCFNFMXSA-N 1 0 267.304 0.799 10 0 CCAERO COC[C@H](C)CC(=O)N1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630372406 370074548 /nfs/dbraw/zinc/07/45/48/370074548.db2.gz QCLXPFHHSBKXLI-WZRBSPASSA-N 1 0 258.362 0.624 10 0 CCAERO CCc1nn(C)cc1C(=O)N1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630374425 370076447 /nfs/dbraw/zinc/07/64/47/370076447.db2.gz MTDWACZTZBXNFT-YGRLFVJLSA-N 1 0 280.372 0.561 10 0 CCAERO CO[C@H]1CN(C(=O)c2snnc2C)[C@](C)(C[NH3+])C1 ZINC000630375638 370077552 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COCCC1(C(=O)N2C[C@@H]3COC[C@@H]3C2)CC[NH2+]CC1 ZINC000634773720 372224675 /nfs/dbraw/zinc/22/46/75/372224675.db2.gz OQVHAZUPYJJRMX-BETUJISGSA-N 1 0 282.384 0.498 10 0 CCAERO C[C@@H](CN1CCCC1=O)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634744967 372191609 /nfs/dbraw/zinc/19/16/09/372191609.db2.gz RDQUQHYRTPBKNB-HUBLWGQQSA-N 1 0 279.384 0.503 10 0 CCAERO CN(C)C(=O)CCCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634746162 372193069 /nfs/dbraw/zinc/19/30/69/372193069.db2.gz IPOQBPDAQYKHAY-FZMZJTMJSA-N 1 0 267.373 0.361 10 0 CCAERO CC(C)[C@@H](CCO)NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634750827 372196586 /nfs/dbraw/zinc/19/65/86/372196586.db2.gz FYSUZFBAMNCPSX-SCRDCRAPSA-N 1 0 254.374 0.899 10 0 CCAERO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCO[C@@H](C(F)F)CC2)C1 ZINC000634752902 372202019 /nfs/dbraw/zinc/20/20/19/372202019.db2.gz VAWFJCGMEVBFPS-OPRDCNLKSA-N 1 0 262.300 0.996 10 0 CCAERO COc1cnc(NC(=O)N[C@@H]2CCC[NH2+][C@@H]2C)nc1 ZINC000333357885 205251397 /nfs/dbraw/zinc/25/13/97/205251397.db2.gz SHLSNWIKEDENRR-PSASIEDQSA-N 1 0 265.317 0.747 10 0 CCAERO C[C@H](NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)C1CCCC1 ZINC000333423205 205307841 /nfs/dbraw/zinc/30/78/41/205307841.db2.gz SWBAECGNHXZKJM-DLOVCJGASA-N 1 0 255.362 0.539 10 0 CCAERO C[C@@H]1CN(C(=O)NC[C@@H]2CC[NH2+]C2)C[C@H](C2CC2)O1 ZINC000333499506 205377052 /nfs/dbraw/zinc/37/70/52/205377052.db2.gz FGTMVFILZIAMAH-NQBHXWOUSA-N 1 0 267.373 0.805 10 0 CCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CC[C@@H]2CCC(=O)N2)C1 ZINC000333507033 205385803 /nfs/dbraw/zinc/38/58/03/205385803.db2.gz DLGHXRCXXSGYCF-AGIUHOORSA-N 1 0 281.400 0.890 10 0 CCAERO COCC[C@@H]1COCCN1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333745802 205662397 /nfs/dbraw/zinc/66/23/97/205662397.db2.gz YFZZVJMNQORANW-CHWSQXEVSA-N 1 0 285.388 0.575 10 0 CCAERO CCO[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000248864075 189953890 /nfs/dbraw/zinc/95/38/90/189953890.db2.gz MUZXAKOKTPPSRZ-YNEHKIRRSA-N 1 0 297.399 0.258 10 0 CCAERO C[C@@H](NC(=O)N1CCC[N@H+](C)CC1)[C@@H]1CCCO1 ZINC000334156240 206118959 /nfs/dbraw/zinc/11/89/59/206118959.db2.gz XUHLNMBOYGNQHF-NEPJUHHUSA-N 1 0 255.362 0.901 10 0 CCAERO C[C@@H](O)CCNC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000637909835 374469757 /nfs/dbraw/zinc/46/97/57/374469757.db2.gz IVDCRNJPIJOIIQ-MBNYWOFBSA-N 1 0 280.368 0.806 10 0 CCAERO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261616404 296218631 /nfs/dbraw/zinc/21/86/31/296218631.db2.gz AFSJREDBRHDNIE-NNYUYHANSA-N 1 0 290.429 0.641 10 0 CCAERO [NH3+]Cc1ncc(C(=O)N2CCN3CCCC[C@H]3C2)cn1 ZINC000638087046 374646611 /nfs/dbraw/zinc/64/66/11/374646611.db2.gz MMIYDUDEHXAXDN-LBPRGKRZSA-N 1 0 275.356 0.246 10 0 CCAERO [NH3+]C[C@@]1(C(=O)N2CCN3CCCC[C@H]3C2)CCCOC1 ZINC000638087331 374647356 /nfs/dbraw/zinc/64/73/56/374647356.db2.gz QZKNPARNLKQNBA-ZFWWWQNUSA-N 1 0 281.400 0.439 10 0 CCAERO C[C@@H]1OCC[C@H]1NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638168109 374748456 /nfs/dbraw/zinc/74/84/56/374748456.db2.gz CNQGJFOJFQOAEN-AEGPPILISA-N 1 0 291.395 0.739 10 0 CCAERO CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000638205632 374792627 /nfs/dbraw/zinc/79/26/27/374792627.db2.gz JLZUBIZKAKLRON-UHTWSYAYSA-N 1 0 269.389 0.794 10 0 CCAERO CCc1cc(C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)n(C)n1 ZINC000638434944 375036104 /nfs/dbraw/zinc/03/61/04/375036104.db2.gz RYKKCLKUWSZNCA-SECBINFHSA-N 1 0 278.278 0.944 10 0 CCAERO O=C(NC[C@@H]1Cc2ccccc2CO1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000638460919 375065145 /nfs/dbraw/zinc/06/51/45/375065145.db2.gz FDLFZDYQIZCULV-MELADBBJSA-N 1 0 278.327 0.944 10 0 CCAERO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000638567648 375142110 /nfs/dbraw/zinc/14/21/10/375142110.db2.gz GQBIPEDUIWTJGY-OUAUKWLOSA-N 1 0 279.340 0.655 10 0 CCAERO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000638629836 375233619 /nfs/dbraw/zinc/23/36/19/375233619.db2.gz POXSLJYPBOGYRM-XQHKEYJVSA-N 1 0 283.416 0.598 10 0 CCAERO CCOC[C@H]1CN(C(=O)[C@@]2(COC)CCC[NH2+]2)CCO1 ZINC000638605601 375186484 /nfs/dbraw/zinc/18/64/84/375186484.db2.gz NSLYYHOPKSDKON-OCCSQVGLSA-N 1 0 286.372 0.019 10 0 CCAERO CC(C)(C(=O)N1CCO[C@H](CCF)C1)N1CC[NH2+]CC1 ZINC000638682857 375290831 /nfs/dbraw/zinc/29/08/31/375290831.db2.gz ASHFQTVOUSWCOI-GFCCVEGCSA-N 1 0 287.379 0.257 10 0 CCAERO O=C([C@@H]1COc2ccccc21)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000366994817 284511678 /nfs/dbraw/zinc/51/16/78/284511678.db2.gz JAQBMZHDLIDHFV-BZPMIXESSA-N 1 0 274.320 0.362 10 0 CCAERO CCN1CC[C@H](NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1=O ZINC000638822735 375390521 /nfs/dbraw/zinc/39/05/21/375390521.db2.gz BYGVAIVGELOUOU-AXFHLTTASA-N 1 0 253.346 0.241 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@@H]1CCN(C2CCC2)C1=O ZINC000638796881 375367852 /nfs/dbraw/zinc/36/78/52/375367852.db2.gz NLYSOMLCTSRVTH-CYZMBNFOSA-N 1 0 279.384 0.631 10 0 CCAERO CC(=O)N1CCC[C@H](C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000638893393 375431857 /nfs/dbraw/zinc/43/18/57/375431857.db2.gz ZFHJRJSOOCLGSN-KGYLQXTDSA-N 1 0 267.373 0.298 10 0 CCAERO C[C@@H]1CN(C(=O)c2c(Cl)cnn2C)C[C@@H]1C[NH3+] ZINC000638906226 375443083 /nfs/dbraw/zinc/44/30/83/375443083.db2.gz UEVHQVRSHGJMQZ-SFYZADRCSA-N 1 0 256.737 0.740 10 0 CCAERO O[C@@H]1C[N@H+](C[C@@H]2CCC(F)(F)C2)C[C@H]1n1ccnn1 ZINC000639743241 375971136 /nfs/dbraw/zinc/97/11/36/375971136.db2.gz YECRBUYEOXSBSB-GMTAPVOTSA-N 1 0 272.299 0.931 10 0 CCAERO CC(C)n1nnnc1Cn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000641036792 376697566 /nfs/dbraw/zinc/69/75/66/376697566.db2.gz QFAGKPCYDMJXAI-JTQLQIEISA-N 1 0 276.348 0.361 10 0 CCAERO CCOc1cncc(N2CCCO[C@H](C[NH3+])C2)n1 ZINC000313345407 248998683 /nfs/dbraw/zinc/99/86/83/248998683.db2.gz BHWPJPOROIZAOV-SNVBAGLBSA-N 1 0 252.318 0.429 10 0 CCAERO CCOC(=O)c1cccnc1N1CCCO[C@H](C[NH3+])C1 ZINC000313356043 248999051 /nfs/dbraw/zinc/99/90/51/248999051.db2.gz NWMBCCBIXFWMSO-LLVKDONJSA-N 1 0 279.340 0.812 10 0 CCAERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CNC(=O)C1 ZINC000110361878 284642912 /nfs/dbraw/zinc/64/29/12/284642912.db2.gz LBQQDBAZKUXSSG-MNOVXSKESA-N 1 0 255.362 0.215 10 0 CCAERO O=C(c1ccc(F)cc1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000369333839 284659291 /nfs/dbraw/zinc/65/92/91/284659291.db2.gz HFFGVMSAGYSNQD-NEPJUHHUSA-N 1 0 250.273 0.639 10 0 CCAERO CC[C@@H](C)NC(=O)CN1CC[NH+](C[C@](C)(O)CC)CC1 ZINC000123346440 284692093 /nfs/dbraw/zinc/69/20/93/284692093.db2.gz HYZIJRPMNHENBD-UKRRQHHQSA-N 1 0 285.432 0.680 10 0 CCAERO CCC[C@@H](C(=O)NC[C@H](O)COCC(C)C)[NH+](C)C ZINC000127069979 284733512 /nfs/dbraw/zinc/73/35/12/284733512.db2.gz WVBVCMXYBNNPNX-STQMWFEESA-N 1 0 274.405 0.866 10 0 CCAERO Cn1cc(CNC(=O)N[C@H]2CC[NH2+]C2)c(C(F)(F)F)n1 ZINC000574771886 335046685 /nfs/dbraw/zinc/04/66/85/335046685.db2.gz XUDPMLWBOHGVNA-QMMMGPOBSA-N 1 0 291.277 0.600 10 0 CCAERO C[C@@H]([NH2+]C[C@H](O)COC1CCC(C)CC1)C(N)=O ZINC000037890806 184543368 /nfs/dbraw/zinc/54/33/68/184543368.db2.gz YWXLZQQSFMCQMJ-UPOSSJBDSA-N 1 0 258.362 0.406 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H]1CCOC1 ZINC000246571113 285025975 /nfs/dbraw/zinc/02/59/75/285025975.db2.gz MLGZAYYDVJLAEQ-UTUOFQBUSA-N 1 0 253.346 0.653 10 0 CCAERO CC[C@H]1C[N@H+](C[C@@H](O)Cn2cccn2)CCN1CCOC ZINC000247374873 285049420 /nfs/dbraw/zinc/04/94/20/285049420.db2.gz VEXHEIIVBYMFQA-LSDHHAIUSA-N 1 0 296.415 0.287 10 0 CCAERO CC[C@@H]1C[N@H+](C[C@@H](O)Cn2cccn2)CCN1CCOC ZINC000247374870 285049442 /nfs/dbraw/zinc/04/94/42/285049442.db2.gz VEXHEIIVBYMFQA-HUUCEWRRSA-N 1 0 296.415 0.287 10 0 CCAERO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CNC(=O)C2)[C@@H](C)C1 ZINC000247524872 285053707 /nfs/dbraw/zinc/05/37/07/285053707.db2.gz WRZUSGFUFNXBOD-SRVKXCTJSA-N 1 0 267.373 0.311 10 0 CCAERO CCc1nnc(CN2CC[N@H+](C[C@H](C)O)[C@H](CC)C2)[nH]1 ZINC000248543466 285068801 /nfs/dbraw/zinc/06/88/01/285068801.db2.gz CKDHPSKUPRTWLC-NWDGAFQWSA-N 1 0 281.404 0.644 10 0 CCAERO CC[C@@H]1CN(C[C@@H](O)C(F)(F)F)CC[N@@H+]1C[C@@H](C)O ZINC000248597332 285070563 /nfs/dbraw/zinc/07/05/63/285070563.db2.gz TZDBAAMCFHOSKB-GMTAPVOTSA-N 1 0 284.322 0.687 10 0 CCAERO CCCCOC[C@H](O)C[N@@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000248646111 285072691 /nfs/dbraw/zinc/07/26/91/285072691.db2.gz HDWDCNBDPKNPSV-XQQFMLRXSA-N 1 0 272.389 0.750 10 0 CCAERO C[C@@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1)[C@@H]1CCCO1 ZINC000248856342 285085059 /nfs/dbraw/zinc/08/50/59/285085059.db2.gz OHMQZHMHHPAUTD-LPWJVIDDSA-N 1 0 270.373 0.779 10 0 CCAERO COCCN1CC[N@H+](C[C@@H](O)CSC)C[C@H]1C ZINC000249127328 285102746 /nfs/dbraw/zinc/10/27/46/285102746.db2.gz CFDQEJYNLUGDTQ-VXGBXAGGSA-N 1 0 262.419 0.363 10 0 CCAERO C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CNC(=O)C1 ZINC000249823451 285140240 /nfs/dbraw/zinc/14/02/40/285140240.db2.gz IEDUXLCYYXYCTA-QWRGUYRKSA-N 1 0 253.346 0.113 10 0 CCAERO COC(=O)[C@@](C)(O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000251069879 285145340 /nfs/dbraw/zinc/14/53/40/285145340.db2.gz FDIZEWRXXHPALC-AAEUAGOBSA-N 1 0 256.346 0.081 10 0 CCAERO CN(C)c1nc2cc(NC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)ccc2o1 ZINC000262551669 285157654 /nfs/dbraw/zinc/15/76/54/285157654.db2.gz TZBJCEZBDQHXCZ-KOLCDFICSA-N 1 0 290.323 0.555 10 0 CCAERO CCC(C)(C)NC(=O)C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000392901056 285205867 /nfs/dbraw/zinc/20/58/67/285205867.db2.gz SMKGDIZYXZIGDE-ZJUUUORDSA-N 1 0 255.362 0.548 10 0 CCAERO COC(=O)C1CCC([NH2+][C@H]2CCC(=O)N[C@H]2C)CC1 ZINC000392908242 285206061 /nfs/dbraw/zinc/20/60/61/285206061.db2.gz YPCNHSRKZTYHAG-XKGSQUFQSA-N 1 0 268.357 0.975 10 0 CCAERO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CCOCC(F)(F)F ZINC000392923885 285206525 /nfs/dbraw/zinc/20/65/25/285206525.db2.gz LFXRCWHKTPZMBN-SFYZADRCSA-N 1 0 254.252 0.822 10 0 CCAERO CCC(CC)NC(=O)[C@H](C)[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000392948665 285207062 /nfs/dbraw/zinc/20/70/62/285207062.db2.gz SXXHJODKIJZRCX-SCVCMEIPSA-N 1 0 269.389 0.936 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCNC(=O)OC ZINC000176982994 285270406 /nfs/dbraw/zinc/27/04/06/285270406.db2.gz VPIPKGKIHOKXCR-NSHDSACASA-N 1 0 271.361 0.675 10 0 CCAERO COC[C@@H]1C[C@H](OC)CN1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333862925 285310734 /nfs/dbraw/zinc/31/07/34/285310734.db2.gz 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CCN(C)C(=O)[C@H](C)NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000300070128 411742662 /nfs/dbraw/zinc/74/26/62/411742662.db2.gz YYYKZVYGBSJEGJ-GARJFASQSA-N 1 0 255.362 0.344 10 0 CCAERO CCc1ncnc(N2CCO[C@@H]([C@H](C)[NH3+])C2)c1F ZINC000300485848 411743263 /nfs/dbraw/zinc/74/32/63/411743263.db2.gz GAPZXMAYKQWJAK-WCBMZHEXSA-N 1 0 254.309 0.731 10 0 CCAERO CCO[C@@H]1CN(c2cn[nH]c(=O)c2Cl)C[C@H]1C[NH3+] ZINC000405288483 411798815 /nfs/dbraw/zinc/79/88/15/411798815.db2.gz FYUWNKQIQHQKQY-VXNVDRBHSA-N 1 0 272.736 0.636 10 0 CCAERO COCCNC(=O)c1ccccc1NC(=O)CC[NH3+] ZINC000019434217 170799167 /nfs/dbraw/zinc/79/91/67/170799167.db2.gz XYKMOFXCHVKYLW-UHFFFAOYSA-N 1 0 265.313 0.350 10 0 CCAERO COc1ccc(OCCN2C[C@H](C[NH3+])OC2=O)cc1 ZINC000019669010 170834982 /nfs/dbraw/zinc/83/49/82/170834982.db2.gz QOZIDWHLZJZMSJ-LBPRGKRZSA-N 1 0 266.297 0.854 10 0 CCAERO [NH3+]CCNC(=O)CCOc1ccc2c(c1)OCO2 ZINC000019787503 170866347 /nfs/dbraw/zinc/86/63/47/170866347.db2.gz XNIGVQDQUGXIRE-UHFFFAOYSA-N 1 0 252.270 0.259 10 0 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CCAERO O=C(Nc1ccc(F)c(F)c1F)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000020434050 171198869 /nfs/dbraw/zinc/19/88/69/171198869.db2.gz HBRBQQRKLJLNEK-XNCJUZBTSA-N 1 0 260.215 0.765 10 0 CCAERO CCOc1ccc(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000020433907 171198975 /nfs/dbraw/zinc/19/89/75/171198975.db2.gz QIWFYOPBXBLSMW-ZYHUDNBSSA-N 1 0 250.298 0.747 10 0 CCAERO COc1ccc(C[NH3+])cc1OCCN1CCNC1=O ZINC000020470942 171213333 /nfs/dbraw/zinc/21/33/33/171213333.db2.gz QCHFAIJCWIGNLX-UHFFFAOYSA-N 1 0 265.313 0.558 10 0 CCAERO COC(=O)[C@@H](C[NH3+])Cc1cccc(OC)c1OC ZINC000020579229 171256683 /nfs/dbraw/zinc/25/66/83/171256683.db2.gz HRVGUTNXABNFIY-SNVBAGLBSA-N 1 0 253.298 0.994 10 0 CCAERO COC(=O)[C@@H](C[NH3+])Cc1ccc(OC)cc1OC ZINC000020579424 171256880 /nfs/dbraw/zinc/25/68/80/171256880.db2.gz ZJXTVVCFHLZZBB-SNVBAGLBSA-N 1 0 253.298 0.994 10 0 CCAERO COc1cccc(C[NH2+]C[C@@H](C)O)c1OCC(N)=O ZINC000020872518 171277236 /nfs/dbraw/zinc/27/72/36/171277236.db2.gz KRCMEBMRUNJMLU-SECBINFHSA-N 1 0 268.313 0.030 10 0 CCAERO CC(=O)N1CCN(C(=O)COc2ccc(C[NH3+])cc2)CC1 ZINC000022175079 171369952 /nfs/dbraw/zinc/36/99/52/171369952.db2.gz ZHOBGIZNWWSBKC-UHFFFAOYSA-N 1 0 291.351 0.215 10 0 CCAERO NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C[NH3+])cc2)C1 ZINC000022176773 171371108 /nfs/dbraw/zinc/37/11/08/171371108.db2.gz JJEXOZCNVKCXIY-LLVKDONJSA-N 1 0 297.380 0.031 10 0 CCAERO C[C@@H]1CN(S(=O)(=O)c2cccc(C[NH3+])c2)C[C@@H](C)O1 ZINC000022210189 171373032 /nfs/dbraw/zinc/37/30/32/171373032.db2.gz QYEMCCUBCUMXDO-GHMZBOCLSA-N 1 0 284.381 0.943 10 0 CCAERO CC[C@@H](COC)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653064890 412207739 /nfs/dbraw/zinc/20/77/39/412207739.db2.gz JXEMFWUXHUBRKX-DJLDLDEBSA-N 1 0 268.279 0.926 10 0 CCAERO Cc1cc(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)no1 ZINC000653070427 412208870 /nfs/dbraw/zinc/20/88/70/412208870.db2.gz VQMVZVXLAASXQE-RKDXNWHRSA-N 1 0 277.246 0.997 10 0 CCAERO O=C([C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N1CCN(C2CC2)CC1 ZINC000653108427 412222128 /nfs/dbraw/zinc/22/21/28/412222128.db2.gz XGBWJVVRLNXDKA-GHMZBOCLSA-N 1 0 291.317 0.691 10 0 CCAERO COc1cccc(OC)c1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000653138754 412238299 /nfs/dbraw/zinc/23/82/99/412238299.db2.gz JGKGPMQNUZSPDS-NXEZZACHSA-N 1 0 280.324 0.014 10 0 CCAERO NC(=[NH2+])NCC[C@H]1NC(=S)N(c2ccccc2)C1=O ZINC000033611471 171815630 /nfs/dbraw/zinc/81/56/30/171815630.db2.gz TVSZVNNUNNXUJF-SECBINFHSA-N 1 0 277.353 0.149 10 0 CCAERO C[N@@H+]1CC[C@H]2OCCN(CC(=O)Nc3nccs3)[C@@H]2C1 ZINC000284982312 196170186 /nfs/dbraw/zinc/17/01/86/196170186.db2.gz XQPOEDCPIRRSNZ-GHMZBOCLSA-N 1 0 296.396 0.487 10 0 CCAERO COc1ccc(C[NH2+][C@@H](C)C(=O)NC(N)=O)cc1OC ZINC000035138281 172006035 /nfs/dbraw/zinc/00/60/35/172006035.db2.gz CNXGAEOLMWSKFX-QMMMGPOBSA-N 1 0 281.312 0.377 10 0 CCAERO CCC[C@H](C)NC(=O)[C@H](C)[NH2+]CC(=O)NC(C)C ZINC000035207172 172051951 /nfs/dbraw/zinc/05/19/51/172051951.db2.gz ZFILHPVFGKERFS-QWRGUYRKSA-N 1 0 257.378 0.794 10 0 CCAERO CC(C)CCNC(=O)[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC000035207192 172052073 /nfs/dbraw/zinc/05/20/73/172052073.db2.gz UIVOBWMFGCSLEM-JTQLQIEISA-N 1 0 255.362 0.405 10 0 CCAERO Cc1cc(NCCCN2CC[NH2+]CC2)n2ncnc2n1 ZINC000035663741 172342457 /nfs/dbraw/zinc/34/24/57/172342457.db2.gz CTCCCLDJNSRCPS-UHFFFAOYSA-N 1 0 275.360 0.140 10 0 CCAERO CS(=O)(=O)N[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000659871464 413926303 /nfs/dbraw/zinc/92/63/03/413926303.db2.gz TWZXEKPRYOMDEB-JHJVBQTASA-N 1 0 290.429 0.551 10 0 CCAERO Cn1ccc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000285626382 196347601 /nfs/dbraw/zinc/34/76/01/196347601.db2.gz DTAWKLRPZKHQCX-CHWSQXEVSA-N 1 0 263.341 0.570 10 0 CCAERO C[N@H+](CCCC(=O)Nc1cccc(N)c1)CC(N)=O ZINC000037268176 173078972 /nfs/dbraw/zinc/07/89/72/173078972.db2.gz UZXBCSLAKYJQHT-UHFFFAOYSA-N 1 0 264.329 0.405 10 0 CCAERO O=C(CN1CCC[NH2+]CC1)N1CCc2ccccc21 ZINC000037365275 173154459 /nfs/dbraw/zinc/15/44/59/173154459.db2.gz SJFLJECTMNWBFU-UHFFFAOYSA-N 1 0 259.353 0.871 10 0 CCAERO C[C@@H]1CCCN(S(=O)(=O)N(C)[C@@H]2CCC[NH2+]C2)C1 ZINC000037540670 173261883 /nfs/dbraw/zinc/26/18/83/173261883.db2.gz JAVZVLNLNMPLLS-VXGBXAGGSA-N 1 0 275.418 0.647 10 0 CCAERO CCC1CCC(C[NH3+])(NS(=O)(=O)c2cn[nH]c2)CC1 ZINC000037744298 173665790 /nfs/dbraw/zinc/66/57/90/173665790.db2.gz VQBGZNOWWJZTNO-UHFFFAOYSA-N 1 0 286.401 0.986 10 0 CCAERO CC[C@H](CC(F)F)C[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000660520098 414374637 /nfs/dbraw/zinc/37/46/37/414374637.db2.gz DBKIMPFFGHLDCN-BXKDBHETSA-N 1 0 264.316 0.980 10 0 CCAERO CC(C)N(Cc1ccccn1)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000037817136 173767560 /nfs/dbraw/zinc/76/75/60/173767560.db2.gz HXLUDKPHCHTKCP-STQMWFEESA-N 1 0 263.341 0.541 10 0 CCAERO C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)C[NH2+]C1CCCC1 ZINC000037821656 173774849 /nfs/dbraw/zinc/77/48/49/173774849.db2.gz PCOQFFZGSYMQNZ-WDEREUQCSA-N 1 0 267.373 0.631 10 0 CCAERO CN(Cc1ccc(O)cc1)C(=O)CN1CC[NH2+]CC1 ZINC000037823257 173777849 /nfs/dbraw/zinc/77/78/49/173777849.db2.gz UWBAFXBUZXYKMR-UHFFFAOYSA-N 1 0 263.341 0.256 10 0 CCAERO O=C(C[NH2+]C[C@@H]1CCS(=O)(=O)C1)Nc1ccccc1 ZINC000037999662 173962644 /nfs/dbraw/zinc/96/26/44/173962644.db2.gz NTANMUJAVKOVIZ-NSHDSACASA-N 1 0 282.365 0.649 10 0 CCAERO CN(CC(=O)N1CC[NH2+]CC1)Cc1nc2ccccc2[nH]1 ZINC000038031447 174026068 /nfs/dbraw/zinc/02/60/68/174026068.db2.gz RRRWTHZHSFYVJY-UHFFFAOYSA-N 1 0 287.367 0.427 10 0 CCAERO C[C@@H](C[NH2+][C@@H]1CCS(=O)(=O)C1)CN1CCCCC1 ZINC000038042080 174044030 /nfs/dbraw/zinc/04/40/30/174044030.db2.gz WKJICICQQMQZSB-QWHCGFSZSA-N 1 0 274.430 0.885 10 0 CCAERO C[C@@H](CN[C@H]1CC(=O)N(C2CC2)C1=O)C[NH+]1CCCCC1 ZINC000038042094 174044173 /nfs/dbraw/zinc/04/41/73/174044173.db2.gz OSEIDWRYLSLXIH-JSGCOSHPSA-N 1 0 293.411 0.988 10 0 CCAERO C[C@@H]([NH2+]CCCS(C)(=O)=O)[C@@H]1CCCN(C)C1 ZINC000038047493 174057815 /nfs/dbraw/zinc/05/78/15/174057815.db2.gz UFDHLLGCXREQTE-VXGBXAGGSA-N 1 0 262.419 0.741 10 0 CCAERO NC(=O)c1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000038050293 174061575 /nfs/dbraw/zinc/06/15/75/174061575.db2.gz RULPUYXMMNPZSO-RYUDHWBXSA-N 1 0 297.380 0.334 10 0 CCAERO C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCN(C)C1 ZINC000038083206 174092805 /nfs/dbraw/zinc/09/28/05/174092805.db2.gz LOOADOLYYVIIKE-AVGNSLFASA-N 1 0 274.430 0.741 10 0 CCAERO CCC(C)(C)NC(=O)[C@@H](C)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000038084064 174093422 /nfs/dbraw/zinc/09/34/22/174093422.db2.gz GOFMATISYXVIQT-GHMZBOCLSA-N 1 0 290.429 0.704 10 0 CCAERO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000038084014 174093595 /nfs/dbraw/zinc/09/35/95/174093595.db2.gz RGIQFVYNNSFABS-MXWKQRLJSA-N 1 0 276.402 0.314 10 0 CCAERO [NH3+]C1(C(=O)NC[C@@H]2CCS(=O)(=O)C2)CCCCC1 ZINC000038083764 174093690 /nfs/dbraw/zinc/09/36/90/174093690.db2.gz VCZHLYGCJLOQLD-JTQLQIEISA-N 1 0 274.386 0.199 10 0 CCAERO C[C@H](CNC(=O)[C@@H]1CNc2ccccc2O1)[NH+](C)C ZINC000038089297 174102700 /nfs/dbraw/zinc/10/27/00/174102700.db2.gz AUCRNXMYCYXSBZ-MFKMUULPSA-N 1 0 263.341 0.926 10 0 CCAERO CCCN(CC(=O)N(C)C)C(=O)[C@H]([NH3+])[C@@H](C)CC ZINC000038101111 174116110 /nfs/dbraw/zinc/11/61/10/174116110.db2.gz SMUDGCJIJUYFQS-CMPLNLGQSA-N 1 0 257.378 0.687 10 0 CCAERO CCCC[C@H]([NH3+])C(=O)N(CCC)CC(=O)N(C)C ZINC000038101159 174116294 /nfs/dbraw/zinc/11/62/94/174116294.db2.gz BTOOPVAIKJVUJF-NSHDSACASA-N 1 0 257.378 0.831 10 0 CCAERO CCCN(CC(=O)NC)C(=O)C1([NH3+])CCCCC1 ZINC000038101052 174116504 /nfs/dbraw/zinc/11/65/04/174116504.db2.gz NBYSBIDBIFNJJU-UHFFFAOYSA-N 1 0 255.362 0.633 10 0 CCAERO COC(=O)N1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000038101783 174117689 /nfs/dbraw/zinc/11/76/89/174117689.db2.gz RNMUCVDKERYUPC-SNVBAGLBSA-N 1 0 255.318 0.039 10 0 CCAERO COC(=O)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]C1 ZINC000038101870 174118027 /nfs/dbraw/zinc/11/80/27/174118027.db2.gz MOGOMXHVZWLQQV-RYUDHWBXSA-N 1 0 268.357 0.930 10 0 CCAERO COC(=O)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]1 ZINC000038101865 174118099 /nfs/dbraw/zinc/11/80/99/174118099.db2.gz FJUIAJDVZCDLOF-GHMZBOCLSA-N 1 0 254.330 0.683 10 0 CCAERO CN(C)c1ncnc(N(C)C2CC[NH+](C)CC2)c1N ZINC000040723632 174385904 /nfs/dbraw/zinc/38/59/04/174385904.db2.gz GOBMKERNVLEGDD-UHFFFAOYSA-N 1 0 264.377 0.655 10 0 CCAERO Cn1cc(Br)c(C(=O)N2CCC[C@H]([NH3+])C2)n1 ZINC000662387351 414713358 /nfs/dbraw/zinc/71/33/58/414713358.db2.gz GDWPETVGUCWTDV-ZETCQYMHSA-N 1 0 287.161 0.746 10 0 CCAERO CC(C)[C@@H](NC(=O)c1cc2c(s1)CC[NH2+]C2)C(N)=O ZINC000662450959 414719518 /nfs/dbraw/zinc/71/95/18/414719518.db2.gz WRWDFZAWWBVXOC-LLVKDONJSA-N 1 0 281.381 0.634 10 0 CCAERO C[C@H](CC(=O)N[C@@H]1CCNC1=O)[C@H]1CCC[NH2+]C1 ZINC000662587166 414730403 /nfs/dbraw/zinc/73/04/03/414730403.db2.gz XPFQCBZGFKHWBT-OUAUKWLOSA-N 1 0 253.346 0.017 10 0 CCAERO CCC[C@@H]([NH3+])C(=O)NCCC1(CS(C)(=O)=O)CC1 ZINC000662618025 414733099 /nfs/dbraw/zinc/73/30/99/414733099.db2.gz TVWCLIVEVKLFDN-SNVBAGLBSA-N 1 0 276.402 0.445 10 0 CCAERO CN1C[C@H](CNC(=O)[C@]2(C)CCCC[NH2+]2)CC1=O ZINC000662695040 414742361 /nfs/dbraw/zinc/74/23/61/414742361.db2.gz WREWYHMOTOYAQJ-GWCFXTLKSA-N 1 0 253.346 0.113 10 0 CCAERO [NH3+]CC1(C(=O)NCCO[C@H]2CC2(F)F)CCOCC1 ZINC000662861816 414851710 /nfs/dbraw/zinc/85/17/10/414851710.db2.gz VEUSVEMSIRTLHY-VIFPVBQESA-N 1 0 278.299 0.282 10 0 CCAERO CN(C(=O)[C@@H]1CCCOC1)[C@H](C[NH3+])C(F)(F)F ZINC000662979354 414932270 /nfs/dbraw/zinc/93/22/70/414932270.db2.gz LZDYKTBDQAAJJO-HTQZYQBOSA-N 1 0 254.252 0.761 10 0 CCAERO C[C@@H]1CCN(C(=O)C2(C[NH3+])CCOCC2)C[C@H](C)O1 ZINC000662889434 414872084 /nfs/dbraw/zinc/87/20/84/414872084.db2.gz MEEXJNFCDWCUSV-NEPJUHHUSA-N 1 0 270.373 0.768 10 0 CCAERO C[C@H]1C[C@H](C)CN(C2(C[NH3+])CCS(=O)(=O)CC2)C1 ZINC000042332197 174687831 /nfs/dbraw/zinc/68/78/31/174687831.db2.gz HGFWDIUDLNTDEZ-RYUDHWBXSA-N 1 0 274.430 0.870 10 0 CCAERO C[C@H](CN1CCCC1=O)[NH2+]C1CCS(=O)CC1 ZINC000042353917 174693012 /nfs/dbraw/zinc/69/30/12/174693012.db2.gz QSBSGAMEGMBFNS-LJRHVDQYSA-N 1 0 258.387 0.498 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000662920553 414894475 /nfs/dbraw/zinc/89/44/75/414894475.db2.gz YJHZEZYOLKIAAR-RVMXOQNASA-N 1 0 252.358 0.856 10 0 CCAERO CC[NH2+]Cc1c(C)nn(C)c1N(C)C[C@H](O)COC ZINC000042511740 174765116 /nfs/dbraw/zinc/76/51/16/174765116.db2.gz IMLBUADZYJEVKL-NSHDSACASA-N 1 0 270.377 0.282 10 0 CCAERO CCN(Cc1ccncc1)S(=O)(=O)CCCC[NH3+] ZINC000042533641 174781692 /nfs/dbraw/zinc/78/16/92/174781692.db2.gz QTCDTHNNDSNGKE-UHFFFAOYSA-N 1 0 271.386 0.972 10 0 CCAERO CC(C)C[C@@H](C)N(C)S(=O)(=O)N(C)CCC[NH3+] ZINC000042589065 174810849 /nfs/dbraw/zinc/81/08/49/174810849.db2.gz AFPRJWRCMWAXDA-LLVKDONJSA-N 1 0 265.423 0.878 10 0 CCAERO Cn1ncc(NCC23CC(C2)C[NH2+]3)c(Cl)c1=O ZINC000663274948 415032442 /nfs/dbraw/zinc/03/24/42/415032442.db2.gz SDCMDQVBQAKOHU-UHFFFAOYSA-N 1 0 254.721 0.598 10 0 CCAERO COCCNC(=O)CN(C)[C@H](C[NH3+])c1ccccc1 ZINC000042899412 174905367 /nfs/dbraw/zinc/90/53/67/174905367.db2.gz NBNVMWFEVZNQKW-CYBMUJFWSA-N 1 0 265.357 0.381 10 0 CCAERO CN(C)C(=O)CN(C)[C@@H](C[NH3+])c1ccccc1F ZINC000043043291 174954731 /nfs/dbraw/zinc/95/47/31/174954731.db2.gz IKZPOBAQLCQNKL-LBPRGKRZSA-N 1 0 253.321 0.846 10 0 CCAERO C[NH2+]CCCNCc1ccc(S(C)(=O)=O)cc1 ZINC000045174366 175323041 /nfs/dbraw/zinc/32/30/41/175323041.db2.gz VZYYHQSENUNAGR-UHFFFAOYSA-N 1 0 256.371 0.789 10 0 CCAERO CCNC(=O)[C@@H](C)Sc1nnc(C[NH3+])n1C(C)C ZINC000071374320 176139473 /nfs/dbraw/zinc/13/94/73/176139473.db2.gz HQKRVZBEKWPKOW-MRVPVSSYSA-N 1 0 271.390 0.934 10 0 CCAERO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2cc(N)cc(F)c2)C1 ZINC000071403135 176154894 /nfs/dbraw/zinc/15/48/94/176154894.db2.gz ZQAVYKCCAZQSHA-LLVKDONJSA-N 1 0 287.360 0.733 10 0 CCAERO CCCS(=O)(=O)NCC[NH+]1CCC(CO)CC1 ZINC000071916240 176299366 /nfs/dbraw/zinc/29/93/66/176299366.db2.gz YLCWZVDRYRTREK-UHFFFAOYSA-N 1 0 264.391 0.020 10 0 CCAERO Nc1ccc(-c2n[nH]c(CN3CC[NH2+]CC3)n2)cc1 ZINC000072236840 176345878 /nfs/dbraw/zinc/34/58/78/176345878.db2.gz UEXMMLXTMWEYMI-UHFFFAOYSA-N 1 0 258.329 0.459 10 0 CCAERO COc1ccc(Cn2nnc(CC[NH3+])n2)cc1OC ZINC000076361274 177002081 /nfs/dbraw/zinc/00/20/81/177002081.db2.gz JWDJYROXYATGHW-UHFFFAOYSA-N 1 0 263.301 0.240 10 0 CCAERO C[C@]1(C[NH3+])CS(=O)(=O)CCN1Cc1ccccc1 ZINC000076722894 177070293 /nfs/dbraw/zinc/07/02/93/177070293.db2.gz CROMNAJOQAEAMQ-ZDUSSCGKSA-N 1 0 268.382 0.634 10 0 CCAERO CCCS(=O)(=O)N1CC2(C1)C[NH2+]CC2(F)F ZINC000685949321 545872538 /nfs/dbraw/zinc/87/25/38/545872538.db2.gz PFFJIDGSGQLXQQ-UHFFFAOYSA-N 1 0 254.302 0.267 10 0 CCAERO OCCN1CCN([C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000725241177 545873024 /nfs/dbraw/zinc/87/30/24/545873024.db2.gz ATDYVNBAPGEWBY-UONOGXRCSA-N 1 0 253.390 0.223 10 0 CCAERO CCC[NH2+][C@H](COC)Cn1cc(S(C)(=O)=O)cn1 ZINC000725251673 545877427 /nfs/dbraw/zinc/87/74/27/545877427.db2.gz DOYAWOJQGIRQAU-JTQLQIEISA-N 1 0 275.374 0.301 10 0 CCAERO CS(=O)(=O)c1cnn(-c2ccc(C[NH3+])cc2F)c1 ZINC000725252980 545878083 /nfs/dbraw/zinc/87/80/83/545878083.db2.gz QITJHJGMBGZVAT-UHFFFAOYSA-N 1 0 269.301 0.874 10 0 CCAERO CC1(C)CC[C@H](n2cc(S(C)(=O)=O)cn2)[C@@H]1[NH3+] ZINC000725253537 545878322 /nfs/dbraw/zinc/87/83/22/545878322.db2.gz WRYXXXJVTXRUHC-UWVGGRQHSA-N 1 0 257.359 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0.478 10 0 CCAERO COC(=O)[C@H](CNC(=O)[C@@H](C)[NH3+])Oc1ccc(F)cc1 ZINC000158049186 523903233 /nfs/dbraw/zinc/90/32/33/523903233.db2.gz VBVZPQLUUFDMBO-KCJUWKMLSA-N 1 0 284.287 0.210 10 0 CCAERO CN1CC[NH2+]C[C@@H]1c1noc(COCC2CC2)n1 ZINC000263173517 523931115 /nfs/dbraw/zinc/93/11/15/523931115.db2.gz GABZXYHMKUKEAJ-SNVBAGLBSA-N 1 0 252.318 0.572 10 0 CCAERO COCCOCCn1cc(C[NH2+]CC(C)C)nn1 ZINC000052628255 524017751 /nfs/dbraw/zinc/01/77/51/524017751.db2.gz LHSCEHDUBHLOII-UHFFFAOYSA-N 1 0 256.350 0.687 10 0 CCAERO CNC(=O)C1CCN(Cc2cc[nH+]c(NN)c2)CC1 ZINC000052721348 524049047 /nfs/dbraw/zinc/04/90/47/524049047.db2.gz JGEXHCASSSDQLJ-UHFFFAOYSA-N 1 0 263.345 0.325 10 0 CCAERO C[C@H](CCc1ccco1)[NH2+][C@@H]1CC(=O)N(C)C1=O ZINC000049564723 524262432 /nfs/dbraw/zinc/26/24/32/524262432.db2.gz DPJHYSJWYUXPRA-MWLCHTKSSA-N 1 0 250.298 0.948 10 0 CCAERO C[C@H](CN1CCCCC1)[NH2+][C@@H]1CC(=O)N(C)C1=O ZINC000049500672 524333659 /nfs/dbraw/zinc/33/36/59/524333659.db2.gz SPIWTTACDOHECJ-GHMZBOCLSA-N 1 0 253.346 0.208 10 0 CCAERO C[C@H](NC(=O)CN1CCC[NH2+]CC1)c1cccnc1 ZINC000061269618 524951695 /nfs/dbraw/zinc/95/16/95/524951695.db2.gz SQJAWYCOACVGCV-LBPRGKRZSA-N 1 0 262.357 0.554 10 0 CCAERO C[C@@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1C)c1cccnc1 ZINC000061592738 525016200 /nfs/dbraw/zinc/01/62/00/525016200.db2.gz DOUYEVVQPFRLCO-APPZFPTMSA-N 1 0 265.342 0.684 10 0 CCAERO C[C@@H](NC(=O)[C@H](C)C1C[NH2+]C1)C(=O)N1CCCCC1 ZINC000164137903 525279660 /nfs/dbraw/zinc/27/96/60/525279660.db2.gz ZBFARFXBYAAPGX-GHMZBOCLSA-N 1 0 267.373 0.359 10 0 CCAERO Cc1ccc(NS(=O)(=O)C[C@H]2CCC[NH2+]2)nc1 ZINC000049631661 525293655 /nfs/dbraw/zinc/29/36/55/525293655.db2.gz RLJVLSLNJWCAMV-SNVBAGLBSA-N 1 0 255.343 0.884 10 0 CCAERO C[C@@H]1C[C@H](C(=O)NC[C@@H]2COCCO2)CC[C@@H]1[NH3+] ZINC000055132777 525362772 /nfs/dbraw/zinc/36/27/72/525362772.db2.gz QKNCMQVHICYMBN-KKOKHZNYSA-N 1 0 256.346 0.282 10 0 CCAERO C[C@@H]1C[C@H]1NS(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000052295806 525499315 /nfs/dbraw/zinc/49/93/15/525499315.db2.gz 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/nfs/dbraw/zinc/19/34/06/545193406.db2.gz WJSWUTHHICSAPB-JSGCOSHPSA-N 1 0 291.399 0.833 10 0 CCAERO CN(Cc1nc[nH]n1)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000674391751 545305795 /nfs/dbraw/zinc/30/57/95/545305795.db2.gz ZOJDUVVVCPDACF-AWEZNQCLSA-N 1 0 289.383 0.729 10 0 CCAERO CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)O[C@@H]2C[NH3+])C1 ZINC000675054010 545320453 /nfs/dbraw/zinc/32/04/53/545320453.db2.gz SFGJWGAOBZSQFK-RNCFNFMXSA-N 1 0 270.329 0.888 10 0 CCAERO CCC[C@@]1(CNC(=O)NCCOC)C[NH2+]CCO1 ZINC000675059940 545320789 /nfs/dbraw/zinc/32/07/89/545320789.db2.gz YMLVNVGZBMORAS-LBPRGKRZSA-N 1 0 259.350 0.091 10 0 CCAERO CC(C)(C)OC(=O)NO[C@H](CO)C1CC[NH2+]CC1 ZINC000675080126 545321358 /nfs/dbraw/zinc/32/13/58/545321358.db2.gz NATOELSAEDWUHG-SNVBAGLBSA-N 1 0 260.334 0.803 10 0 CCAERO CC1(C)CN(C(=O)c2cnn3cccnc23)CC[C@@H]1[NH3+] ZINC000261991152 535351272 /nfs/dbraw/zinc/35/12/72/535351272.db2.gz MTYRXJFVOJSSJT-NSHDSACASA-N 1 0 273.340 0.929 10 0 CCAERO CC1(C)CN(S(=O)(=O)C[C@H]2CCOC2)CC[C@H]1[NH3+] ZINC000261755452 535357872 /nfs/dbraw/zinc/35/78/72/535357872.db2.gz QNFWPBHPEXIQBA-WDEREUQCSA-N 1 0 276.402 0.412 10 0 CCAERO COCc1nc(CNC[C@](C)(O)C[NH+](C)C)cs1 ZINC000676907717 545355104 /nfs/dbraw/zinc/35/51/04/545355104.db2.gz LQLNJFIVYPXMRC-LBPRGKRZSA-N 1 0 273.402 0.692 10 0 CCAERO CCc1sc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1C ZINC000262286604 535948904 /nfs/dbraw/zinc/94/89/04/535948904.db2.gz OHSQCQZEPRQKIX-UWVGGRQHSA-N 1 0 268.382 0.929 10 0 CCAERO CC[C@H](OC1CCCCC1)C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262363580 536031621 /nfs/dbraw/zinc/03/16/21/536031621.db2.gz VJQFRGAAUUYIHK-BNOWGMLFSA-N 1 0 284.400 0.811 10 0 CCAERO CN(CCCNC(=O)C1C[NH2+]C1)CC(F)(F)F ZINC000263314643 536352029 /nfs/dbraw/zinc/35/20/29/536352029.db2.gz PZRPSVAEDMLIPH-UHFFFAOYSA-N 1 0 253.268 0.206 10 0 CCAERO C[NH2+][C@H](C(=O)N1CCC([C@H](C)O)CC1)c1cnn(C)c1 ZINC000262541560 536379357 /nfs/dbraw/zinc/37/93/57/536379357.db2.gz NHHAMTPXSHWBFL-GWCFXTLKSA-N 1 0 280.372 0.300 10 0 CCAERO COc1cc(C)c(CNC[C@H]2C[NH2+]C[C@@H]2O)c(C)n1 ZINC000263199756 536576930 /nfs/dbraw/zinc/57/69/30/536576930.db2.gz IVSMVSOSNZSQLE-AAEUAGOBSA-N 1 0 265.357 0.377 10 0 CCAERO CO[C@H](CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccccc1 ZINC000262172903 536628803 /nfs/dbraw/zinc/62/88/03/536628803.db2.gz YQOUFBOPCHHFNZ-HZSPNIEDSA-N 1 0 278.352 0.997 10 0 CCAERO COc1cc(C)ccc1CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262548294 536649663 /nfs/dbraw/zinc/64/96/63/536649663.db2.gz SOGALTCFYSQSHB-NEPJUHHUSA-N 1 0 264.325 0.343 10 0 CCAERO COC[C@@H]([NH3+])C(=O)NCc1nccc2ccccc21 ZINC000263248848 536665305 /nfs/dbraw/zinc/66/53/05/536665305.db2.gz OAYCEFKJDNMFRY-GFCCVEGCSA-N 1 0 259.309 0.825 10 0 CCAERO CCCCOC[C@H](O)C[N@H+](C)C[C@@H]1CN(C)CCO1 ZINC000683923824 545585973 /nfs/dbraw/zinc/58/59/73/545585973.db2.gz KMTWAUSYADEYJL-KGLIPLIRSA-N 1 0 274.405 0.426 10 0 CCAERO CCN(C)S(=O)(=O)C[C@@H]([NH3+])[C@H]1CCCOC1 ZINC000757151030 581696897 /nfs/dbraw/zinc/69/68/97/581696897.db2.gz MVIHLVFFUYWHSS-VHSXEESVSA-N 1 0 250.364 0.022 10 0 CCAERO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCOC[C@@H]2O)C1 ZINC000913172872 614672419 /nfs/dbraw/zinc/67/24/19/614672419.db2.gz SZXGIWZCIDPTES-AVGNSLFASA-N 1 0 270.373 0.374 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1noc(C)n1 ZINC000124156131 615144304 /nfs/dbraw/zinc/14/43/04/615144304.db2.gz RECYMHOBDWWMRT-JTQLQIEISA-N 1 0 252.318 0.934 10 0 CCAERO CC[C@@H](CO)[N@@H+]1CC[C@@](O)(c2cn(C(C)C)nn2)C1 ZINC000930395431 615489313 /nfs/dbraw/zinc/48/93/13/615489313.db2.gz HFZDBCXBZHYSHM-AAEUAGOBSA-N 1 0 268.361 0.523 10 0 CCAERO CC[C@@H](O)[C@H](C)C(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000901226819 615543277 /nfs/dbraw/zinc/54/32/77/615543277.db2.gz XBQRKFXVJJRMIL-WCQYABFASA-N 1 0 272.389 0.309 10 0 CCAERO C[NH+](C)C/C=C\C(=O)N1CCc2ccccc2[C@@H]1C(N)=O ZINC000886046110 615839575 /nfs/dbraw/zinc/83/95/75/615839575.db2.gz DMDMNXUCRVAXBI-GTBONMDNSA-N 1 0 287.363 0.716 10 0 CCAERO CC[C@H]1CN(C(=O)C[C@H]2COC(=O)C2)CC[N@@H+]1CCOC ZINC000152483930 615897517 /nfs/dbraw/zinc/89/75/17/615897517.db2.gz XIUILHOSJKBJOO-OLZOCXBDSA-N 1 0 298.383 0.509 10 0 CCAERO CC[S@@](=O)CC[NH2+]C[C@H](O)COCc1ccco1 ZINC000132821700 616005790 /nfs/dbraw/zinc/00/57/90/616005790.db2.gz JJDRORKLLSFSCS-VOJFVSQTSA-N 1 0 275.370 0.515 10 0 CCAERO COCC[N@@H+]1CCN(CN2CCSC2=O)C[C@@H]1C ZINC000117322755 616370017 /nfs/dbraw/zinc/37/00/17/616370017.db2.gz YPWGZACBXWMEBL-NSHDSACASA-N 1 0 273.402 0.765 10 0 CCAERO COC(=O)[C@@H]1C[N@H+](Cc2ccc(OC)nn2)C[C@@H]1C ZINC000302396301 616395916 /nfs/dbraw/zinc/39/59/16/616395916.db2.gz GQNTZFUKKOBYKM-GXSJLCMTSA-N 1 0 265.313 0.726 10 0 CCAERO C[C@@H]([NH2+]CC(=O)N1CCC2(CC1)OCCO2)[C@@H]1CCCO1 ZINC000183143962 625396180 /nfs/dbraw/zinc/39/61/80/625396180.db2.gz LCPQSPKURBKRBJ-OLZOCXBDSA-N 1 0 298.383 0.509 10 0 CCAERO C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]C/C=C\Cl ZINC000309782831 625408023 /nfs/dbraw/zinc/40/80/23/625408023.db2.gz NIYCRISWNABALY-OSCQXZJKSA-N 1 0 266.794 0.999 10 0 CCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CSC(=O)N2)C1 ZINC000161230776 622691833 /nfs/dbraw/zinc/69/18/33/622691833.db2.gz LZLAGPOHVPCQKT-UTLUCORTSA-N 1 0 271.386 0.656 10 0 CCAERO [NH3+]C1CC(CNS(=O)(=O)c2cc(F)ccc2F)C1 ZINC000091525258 622850302 /nfs/dbraw/zinc/85/03/02/622850302.db2.gz MYMNLQSUKFPXSK-UHFFFAOYSA-N 1 0 276.308 0.980 10 0 CCAERO CC(=O)N[C@H]1CCCN(C(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000310666129 623437674 /nfs/dbraw/zinc/43/76/74/623437674.db2.gz CVAXWMVTZUKYPP-RYUDHWBXSA-N 1 0 253.346 0.241 10 0 CCAERO CN(CC(=O)NC1CC1)C(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089388181 624822839 /nfs/dbraw/zinc/82/28/39/624822839.db2.gz UEOHLCKHFSJAFH-ZYHUDNBSSA-N 1 0 267.373 0.489 10 0 CCAERO CN(C1C[NH2+]C1)S(=O)(=O)/C=C/c1ccccc1 ZINC000090289919 624945939 /nfs/dbraw/zinc/94/59/39/624945939.db2.gz GGGWELMEBKKZEC-BQYQJAHWSA-N 1 0 252.339 0.891 10 0 CCAERO CN(Cc1ccc(Br)s1)C(=O)[C@@H]([NH3+])CO ZINC000258834836 631012209 /nfs/dbraw/zinc/01/22/09/631012209.db2.gz CKTQSFUTLRVOGZ-ZETCQYMHSA-N 1 0 293.186 0.789 10 0 CCAERO [NH3+][C@@H](Cc1nc([C@@H]2CN3CCN2CC3)no1)C1CC1 ZINC000094511779 631365909 /nfs/dbraw/zinc/36/59/09/631365909.db2.gz UUQLKROSBSSIMK-QWRGUYRKSA-N 1 0 263.345 0.022 10 0 CCAERO Cc1cc(N)nc(N2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)[nH+]1 ZINC000893782706 631465068 /nfs/dbraw/zinc/46/50/68/631465068.db2.gz IVLVTVKUOTVESL-MNOVXSKESA-N 1 0 290.371 0.748 10 0 CCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCS(=O)(=O)C(C)(C)C ZINC000236972949 631532743 /nfs/dbraw/zinc/53/27/43/631532743.db2.gz VRFMQENZSVGHKB-NXEZZACHSA-N 1 0 278.418 0.689 10 0 CCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)C1=COCCO1 ZINC000193266843 633114123 /nfs/dbraw/zinc/11/41/23/633114123.db2.gz SOJBZLFIBIXLTJ-LLVKDONJSA-N 1 0 256.346 0.967 10 0 CCAERO O=C(N1CCC[C@H](Cn2cncn2)C1)C12CC[NH+](CC1)C2 ZINC000900777487 634086118 /nfs/dbraw/zinc/08/61/18/634086118.db2.gz PFRYLHZOSZGOFD-ZDUSSCGKSA-N 1 0 289.383 0.613 10 0 CCAERO C[C@@H](CCC[NH+](C)C)NC(=O)c1nn2c(c1F)OCC2 ZINC000223849463 636910183 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ZINC000089387899 637629816 /nfs/dbraw/zinc/62/98/16/637629816.db2.gz MOIZUKILPXMKLQ-MNOVXSKESA-N 1 0 255.362 0.394 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cn1nnc2ccccc2c1=O ZINC000153240237 637690146 /nfs/dbraw/zinc/69/01/46/637690146.db2.gz JUMMMOKFXXPQQP-QWHCGFSZSA-N 1 0 299.378 0.918 10 0 CCAERO [NH3+]C[C@@H]1CN([C@@H]2CCOC2=O)C[C@H]1c1ccccc1 ZINC000328330410 637907773 /nfs/dbraw/zinc/90/77/73/637907773.db2.gz HHXFXCYBHQZXRQ-HZSPNIEDSA-N 1 0 260.337 0.976 10 0 CCAERO CCOC(C[N@@H+]1CCC[C@@H](NC(C)=O)C1)OCC ZINC000184949143 638733061 /nfs/dbraw/zinc/73/30/61/638733061.db2.gz OIWPPORGXWAJHS-GFCCVEGCSA-N 1 0 258.362 0.986 10 0 CCAERO Cn1nccc1CCNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000185016535 638741016 /nfs/dbraw/zinc/74/10/16/638741016.db2.gz YHSIEHQXHMCYPK-GFCCVEGCSA-N 1 0 265.361 0.308 10 0 CCAERO COC(=O)N[C@H](CC(C)C)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000186754610 639840824 /nfs/dbraw/zinc/84/08/24/639840824.db2.gz LYUSHKOAAHKMQE-TUAOUCFPSA-N 1 0 285.388 0.871 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cn1nc(CO)n(C)c1=S ZINC000120512984 645357262 /nfs/dbraw/zinc/35/72/62/645357262.db2.gz WZNBLQFEFLKTOE-WDEREUQCSA-N 1 0 297.428 0.569 10 0 CCAERO C[C@@H]1C[N@H+](CCc2cccs2)C[C@@H](C(N)=O)O1 ZINC000122129154 645761612 /nfs/dbraw/zinc/76/16/12/645761612.db2.gz SZHXSOJEJUWSIC-KOLCDFICSA-N 1 0 254.355 0.865 10 0 CCAERO Cc1n[nH]cc1S(=O)(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000124014114 646234890 /nfs/dbraw/zinc/23/48/90/646234890.db2.gz QMRSHZDWNCWCAD-PSASIEDQSA-N 1 0 272.374 0.289 10 0 CCAERO O=C(C[C@H]1CC[NH2+]C1)NC[C@H](O)c1ccc(F)cc1 ZINC000128142235 647146364 /nfs/dbraw/zinc/14/63/64/647146364.db2.gz NQMZLTKQXFWTOQ-MFKMUULPSA-N 1 0 266.316 0.975 10 0 CCAERO CN1C(=O)CC[C@H]([NH2+]C2CCC3(CC2)OCCO3)C1=O ZINC000090026595 647523523 /nfs/dbraw/zinc/52/35/23/647523523.db2.gz ZSDANDQPQUXCOA-NSHDSACASA-N 1 0 282.340 0.409 10 0 CCAERO [NH3+]C1(C(=O)Nc2ccc(-n3ccnc3)nc2)CCOCC1 ZINC000132110953 647537113 /nfs/dbraw/zinc/53/71/13/647537113.db2.gz 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C[C@H](CC[NH2+]CC1(O)CCC(C(=O)[O-])CC1)[NH+](C)C ZINC000697905427 954834885 /nfs/dbraw/zinc/83/48/85/954834885.db2.gz MECKTGKJHWFVAX-LKSINWNRSA-N 1 0 272.389 0.922 10 0 CCAERO Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000175719571 282104477 /nfs/dbraw/zinc/10/44/77/282104477.db2.gz HNORAOGXTWKVNA-NWDGAFQWSA-N 1 0 292.387 0.815 10 0 CCAERO O=S(=O)(c1ccc(Cl)nn1)C1CC[NH2+]CC1 ZINC000095069932 349586269 /nfs/dbraw/zinc/58/62/69/349586269.db2.gz FALMLFOGOIPIHT-UHFFFAOYSA-N 1 0 261.734 0.656 10 0 CCAERO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C[NH3+])nc1 ZINC000095069028 349586575 /nfs/dbraw/zinc/58/65/75/349586575.db2.gz NKZZSEWXBBTGIF-NSHDSACASA-N 1 0 269.370 0.892 10 0 CCAERO O=S(=O)(C[C@H]1CCC[NH2+]1)c1cc(Cl)ncn1 ZINC000095070410 349587447 /nfs/dbraw/zinc/58/74/47/349587447.db2.gz VXQNOHNAWFJAMR-SSDOTTSWSA-N 1 0 261.734 0.656 10 0 CCAERO O=S(=O)(Cc1cccnc1)C[C@H]1CCC[NH2+]C1 ZINC000095073222 349587909 /nfs/dbraw/zinc/58/79/09/349587909.db2.gz AETIDXHGGNZPBC-LBPRGKRZSA-N 1 0 254.355 0.996 10 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260.403 0.493 10 0 CCAERO O=C(CN1CCNC(=O)CC1)N1CCC[C@H]2CCCC[C@H]21 ZINC000103231127 349693704 /nfs/dbraw/zinc/69/37/04/349693704.db2.gz ODHDPSDZYMZIPX-ZIAGYGMSSA-N 1 0 293.411 0.990 10 0 CCAERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)NC(C)(C)C ZINC000103285566 349696133 /nfs/dbraw/zinc/69/61/33/349696133.db2.gz DCZDMRUHECGRHO-UWVGGRQHSA-N 1 0 255.362 0.487 10 0 CCAERO CCCCCNC(=O)C[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000103286181 349696589 /nfs/dbraw/zinc/69/65/89/349696589.db2.gz KLESKXMMLQOWKY-RYUDHWBXSA-N 1 0 269.389 0.879 10 0 CCAERO C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000105883856 349727700 /nfs/dbraw/zinc/72/77/00/349727700.db2.gz JSTXOMXWJIWGSE-RYUDHWBXSA-N 1 0 263.345 0.536 10 0 CCAERO COC(=O)CC[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000105909779 349727874 /nfs/dbraw/zinc/72/78/74/349727874.db2.gz IXNXQTIYJVPOPG-LBPRGKRZSA-N 1 0 278.356 0.940 10 0 CCAERO CCCCOC(=O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000105926142 349729036 /nfs/dbraw/zinc/72/90/36/349729036.db2.gz UNPRUBNYSZXTFI-GFCCVEGCSA-N 1 0 258.362 0.592 10 0 CCAERO CNC(=O)[C@@H]1CCC[N@H+](CC(=O)N(C)C(C)C)C1 ZINC000111694117 349775178 /nfs/dbraw/zinc/77/51/78/349775178.db2.gz CDHZJCVZMRBCNZ-LLVKDONJSA-N 1 0 255.362 0.311 10 0 CCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000111272137 349768982 /nfs/dbraw/zinc/76/89/82/349768982.db2.gz ZNEDCNGFXZXFBB-ZWNOBZJWSA-N 1 0 296.392 0.562 10 0 CCAERO CCOC(=O)c1cccnc1N(C)CCOCC[NH2+]C ZINC000600954003 362099283 /nfs/dbraw/zinc/09/92/83/362099283.db2.gz JXFNAHKPBMLCLP-UHFFFAOYSA-N 1 0 281.356 0.931 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)C1C2CC3CC(C2)CC1C3 ZINC000262326443 295692153 /nfs/dbraw/zinc/69/21/53/295692153.db2.gz RWKNNAQRIZFIDB-MLZVIGOLSA-N 1 0 278.396 0.755 10 0 CCAERO CC(C)(O)CC[NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000408069646 137832337 /nfs/dbraw/zinc/83/23/37/137832337.db2.gz DXRKJPKRICIPIL-WDEREUQCSA-N 1 0 278.418 0.597 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCN1CCCC1=O ZINC000113269155 349806812 /nfs/dbraw/zinc/80/68/12/349806812.db2.gz PQPJZYZXYJQGKQ-QWHCGFSZSA-N 1 0 251.374 0.777 10 0 CCAERO CCCC(=O)N[C@H]1CCC[N@H+](C[C@H](O)COCC)C1 ZINC000113501730 349813403 /nfs/dbraw/zinc/81/34/03/349813403.db2.gz VNYQTRJECWZGIM-STQMWFEESA-N 1 0 272.389 0.765 10 0 CCAERO Cc1cc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)no1 ZINC000116788691 349871971 /nfs/dbraw/zinc/87/19/71/349871971.db2.gz BJBZFCCHNHBSQD-SNVBAGLBSA-N 1 0 253.302 0.386 10 0 CCAERO Cc1c(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cnn1C ZINC000116788017 349872362 /nfs/dbraw/zinc/87/23/62/349872362.db2.gz BXLGMRKNNILYSA-NSHDSACASA-N 1 0 266.345 0.131 10 0 CCAERO CCOCCCC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116791607 349873349 /nfs/dbraw/zinc/87/33/49/349873349.db2.gz WEKNIIYOYKTFPR-GFCCVEGCSA-N 1 0 258.362 0.592 10 0 CCAERO C[C@H](NC(=O)N1CCO[C@H](C[NH+](C)C)C1)[C@@H]1CCCO1 ZINC000117034183 349879340 /nfs/dbraw/zinc/87/93/40/349879340.db2.gz DSRRRYCRBSTDEL-XQQFMLRXSA-N 1 0 285.388 0.526 10 0 CCAERO CCCCOCCNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117040232 349879609 /nfs/dbraw/zinc/87/96/09/349879609.db2.gz RSFWCIKQFVDZEZ-ZDUSSCGKSA-N 1 0 287.404 0.775 10 0 CCAERO CCCCO[C@@H](C)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116796805 349873838 /nfs/dbraw/zinc/87/38/38/349873838.db2.gz OFXCJQUODBERQR-QWHCGFSZSA-N 1 0 272.389 0.981 10 0 CCAERO C[NH+](C)C[C@H]1CN(C(=O)C2CCOCC2)CCO1 ZINC000116798079 349874114 /nfs/dbraw/zinc/87/41/14/349874114.db2.gz UWPDDEVHUNEHKB-LBPRGKRZSA-N 1 0 256.346 0.202 10 0 CCAERO Cc1cccnc1CNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117046249 349880446 /nfs/dbraw/zinc/88/04/46/349880446.db2.gz QMUBOOHKEOGLAH-CYBMUJFWSA-N 1 0 292.383 0.862 10 0 CCAERO C[C@@]1(CNC(=O)NCC2CC[NH+](CCO)CC2)CCCO1 ZINC000127147273 187284819 /nfs/dbraw/zinc/28/48/19/187284819.db2.gz DTTYDAPELBXUEF-HNNXBMFYSA-N 1 0 299.415 0.559 10 0 CCAERO C[C@H]1SCCN(C(=O)C2([NH3+])CCOCC2)[C@@H]1C ZINC000159572059 290725100 /nfs/dbraw/zinc/72/51/00/290725100.db2.gz JQNYMPCCSOXJEQ-NXEZZACHSA-N 1 0 258.387 0.847 10 0 CCAERO CC1CC[NH+](CC(=O)NC[C@H]2CN(C3CC3)CCO2)CC1 ZINC000119055756 349916978 /nfs/dbraw/zinc/91/69/78/349916978.db2.gz YTZJYSYYYBKASX-HNNXBMFYSA-N 1 0 295.427 0.698 10 0 CCAERO CN(CC(C)(C)C[NH3+])C(=O)CNC(=O)c1ccccn1 ZINC000262591334 282366372 /nfs/dbraw/zinc/36/63/72/282366372.db2.gz UAMFHPSHMKDMCI-UHFFFAOYSA-N 1 0 278.356 0.255 10 0 CCAERO Cn1ncc2c1CCC[C@H]2[NH2+]CC1(O)CCOCC1 ZINC000162268007 290739502 /nfs/dbraw/zinc/73/95/02/290739502.db2.gz AMBQGXNVLRGSQR-GFCCVEGCSA-N 1 0 265.357 0.929 10 0 CCAERO CSC1CCN(C(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000602582377 362690675 /nfs/dbraw/zinc/69/06/75/362690675.db2.gz XQHBLSFSBZXZNQ-JTQLQIEISA-N 1 0 258.387 0.576 10 0 CCAERO CCCNC(=O)CCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089461084 535042358 /nfs/dbraw/zinc/04/23/58/535042358.db2.gz IWNIUPKRVZKLMG-GHMZBOCLSA-N 1 0 255.362 0.394 10 0 CCAERO CC[C@@H]1C[C@@H](C(=O)N2CCC[C@H]([NH+](C)C)C2)CC(=O)N1 ZINC000408200815 137849812 /nfs/dbraw/zinc/84/98/12/137849812.db2.gz BZZXLVSCMJNHSF-UPJWGTAASA-N 1 0 281.400 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O=C(N[C@H]1CCCC[NH2+]C1)N1CCOCC(F)(F)C1 ZINC000333740853 389442124 /nfs/dbraw/zinc/44/21/24/389442124.db2.gz XOIBBSYSOALMMX-JTQLQIEISA-N 1 0 277.315 0.806 10 0 CCAERO C[NH+](C)Cc1ccc(C(=O)N2CCO[C@@H](CO)C2)cc1 ZINC000167442596 389445899 /nfs/dbraw/zinc/44/58/99/389445899.db2.gz HJZSHONGQFKZNQ-CQSZACIVSA-N 1 0 278.352 0.582 10 0 CCAERO C[N@H+](C[C@@H](O)CN1NC(=O)CC12CCCCC2)C1CC1 ZINC000333870686 389447659 /nfs/dbraw/zinc/44/76/59/389447659.db2.gz PERZTHAZMQQUOB-CYBMUJFWSA-N 1 0 281.400 0.881 10 0 CCAERO CCOC(=O)[C@H](CC)N1CC[NH+](C[C@@H](O)CC)CC1 ZINC000174072957 389513916 /nfs/dbraw/zinc/51/39/16/389513916.db2.gz VUNFRVNMPMYDHM-STQMWFEESA-N 1 0 272.389 0.717 10 0 CCAERO CCOC(=O)CCN1CC[NH+](C[C@H](O)CC)CC1 ZINC000174074653 389514680 /nfs/dbraw/zinc/51/46/80/389514680.db2.gz JKXTZRQABCYXCU-GFCCVEGCSA-N 1 0 258.362 0.328 10 0 CCAERO CN(C)C(=O)CC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000174655104 389526746 /nfs/dbraw/zinc/52/67/46/389526746.db2.gz UZVDXFLSVJVURM-UHFFFAOYSA-N 1 0 297.399 0.036 10 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[NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000388110430 397505358 /nfs/dbraw/zinc/50/53/58/397505358.db2.gz HFWUHNMZBSPVMY-NGZCFLSTSA-N 1 0 280.290 0.887 10 0 CCAERO c1ccc2c(c1)ncnc2NC[C@H]1C[NH2+]CCCO1 ZINC000389783307 397510651 /nfs/dbraw/zinc/51/06/51/397510651.db2.gz FOMOCDHCJGSELW-LLVKDONJSA-N 1 0 258.325 0.842 10 0 CCAERO O=C1c2ccccc2C(=O)N1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000575461288 397580956 /nfs/dbraw/zinc/58/09/56/397580956.db2.gz TUQPYRXLSLKNTP-SNVBAGLBSA-N 1 0 272.304 0.804 10 0 CCAERO CC(C)n1ccnc1CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000649419106 397610356 /nfs/dbraw/zinc/61/03/56/397610356.db2.gz FTJFFGOIAHTXCH-AWEZNQCLSA-N 1 0 277.416 0.944 10 0 CCAERO CO[C@H]1CCN(C(=O)C(F)(F)C(F)F)[C@@H](C[NH3+])C1 ZINC000227833884 286047238 /nfs/dbraw/zinc/04/72/38/286047238.db2.gz CGUBGNWJHCENRW-RQJHMYQMSA-N 1 0 272.242 0.852 10 0 CCAERO CO[C@H]1C[C@@H](C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)[N@H+](C)C1 ZINC000408040896 286084436 /nfs/dbraw/zinc/08/44/36/286084436.db2.gz DQEHCXIJFHSDOV-ORIJERBGSA-N 1 0 296.411 0.859 10 0 CCAERO CS[C@@H]1CN(C(=O)[C@H]2CCCCC(=O)N2)C[C@@H]1[NH+](C)C ZINC000363923374 286703347 /nfs/dbraw/zinc/70/33/47/286703347.db2.gz GHRHMJAUUGRXIJ-GRYCIOLGSA-N 1 0 299.440 0.549 10 0 CCAERO CO[C@H](C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)C1CCC1 ZINC000659305124 413394171 /nfs/dbraw/zinc/39/41/71/413394171.db2.gz YRTNTWQMVFAFBU-LOWDOPEQSA-N 1 0 252.358 0.997 10 0 CCAERO COCc1csc(C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000659323822 413411207 /nfs/dbraw/zinc/41/12/07/413411207.db2.gz DBGVJJIOJHYVGY-WDEREUQCSA-N 1 0 282.365 0.707 10 0 CCAERO O=C(C[C@@H]1CCC[NH2+]C1)NCCO[C@H]1CC1(F)F ZINC000659345806 413437422 /nfs/dbraw/zinc/43/74/22/413437422.db2.gz OYUPKSADGQVALI-UWVGGRQHSA-N 1 0 262.300 0.917 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCO[C@@H]1CC1(F)F ZINC000659346182 413438826 /nfs/dbraw/zinc/43/88/26/413438826.db2.gz ULOXZVSJBJOLTN-LPEHRKFASA-N 1 0 262.300 0.915 10 0 CCAERO C[C@@H](O)C[N@@H+]1CCN(CC(=O)N2CCCCCC2)C[C@H]1C ZINC000105821378 287093829 /nfs/dbraw/zinc/09/38/29/287093829.db2.gz RUEOQYPNHYGQAN-HUUCEWRRSA-N 1 0 297.443 0.776 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H](C)C(=O)N(C)C ZINC000246423857 287221637 /nfs/dbraw/zinc/22/16/37/287221637.db2.gz SPPXMDWWKPEGNJ-JHJVBQTASA-N 1 0 296.415 0.731 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCNS(C)(=O)=O ZINC000175058304 287224435 /nfs/dbraw/zinc/22/44/35/287224435.db2.gz IEGGMLLVOGZXFS-VXGBXAGGSA-N 1 0 275.418 0.094 10 0 CCAERO CC(C)CN(C(=O)Cn1cc(C[NH3+])nn1)C1CC1 ZINC000123049516 411710264 /nfs/dbraw/zinc/71/02/64/411710264.db2.gz KMEPXCPDJQEPAA-UHFFFAOYSA-N 1 0 251.334 0.384 10 0 CCAERO C[C@@H]1CCC[C@H](C)N1C(=O)Cn1cc(C[NH3+])nn1 ZINC000050224249 411676227 /nfs/dbraw/zinc/67/62/27/411676227.db2.gz WXYDSEGGYMGQLR-AOOOYVTPSA-N 1 0 251.334 0.526 10 0 CCAERO CC(C)[NH2+]CCC(=O)N1CC[C@@H](N2CCOCC2)C1 ZINC000062976866 411686620 /nfs/dbraw/zinc/68/66/20/411686620.db2.gz DQUKUFSBNGVYBB-CYBMUJFWSA-N 1 0 269.389 0.308 10 0 CCAERO C[C@H](C(=O)NC(C)(C)C)n1cc(C(C)(C)[NH3+])nn1 ZINC000070118425 411690175 /nfs/dbraw/zinc/69/01/75/411690175.db2.gz UIRMCAURSSRXOF-MRVPVSSYSA-N 1 0 253.350 0.948 10 0 CCAERO CC(C)([NH3+])c1cn(CC(=O)NCc2cccs2)nn1 ZINC000070118451 411690835 /nfs/dbraw/zinc/69/08/35/411690835.db2.gz RSQPFHUHMASMRI-UHFFFAOYSA-N 1 0 279.369 0.850 10 0 CCAERO Cc1c(CNC(=O)CC[C@H]2CCC[NH2+]2)cnn1C ZINC000310884509 411748517 /nfs/dbraw/zinc/74/85/17/411748517.db2.gz XGMGAFFACGMDDZ-GFCCVEGCSA-N 1 0 250.346 0.877 10 0 CCAERO COc1cccc(S(=O)(=O)NC[C@@H]2CC[NH2+]C2)c1 ZINC000130763125 411722644 /nfs/dbraw/zinc/72/26/44/411722644.db2.gz KQERVRROLOBPQX-SNVBAGLBSA-N 1 0 270.354 0.583 10 0 CCAERO CCOC(=O)C(=O)N1CC[C@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000616570653 411840938 /nfs/dbraw/zinc/84/09/38/411840938.db2.gz NVDRJHRLJQECLI-CHWSQXEVSA-N 1 0 276.336 0.893 10 0 CCAERO Nc1cc([C@H]2CN(CC[NH3+])c3ccccc3N2)[nH]n1 ZINC000616685682 411841894 /nfs/dbraw/zinc/84/18/94/411841894.db2.gz SISJDYGVLXHQBT-LLVKDONJSA-N 1 0 258.329 0.924 10 0 CCAERO C[C@@H]1CC[C@H](C(=O)N2CCC(C(N)=O)CC2)C[NH2+]1 ZINC000019506000 170818190 /nfs/dbraw/zinc/81/81/90/170818190.db2.gz YTVDRFWKAGXDNL-KOLCDFICSA-N 1 0 253.346 0.098 10 0 CCAERO COc1cc(OC)cc(OC[C@@H](O)CN2CC[NH2+]CC2)c1 ZINC000019668805 170834855 /nfs/dbraw/zinc/83/48/55/170834855.db2.gz HEVXGVSBTYEIAQ-LBPRGKRZSA-N 1 0 296.367 0.349 10 0 CCAERO CN(C)S(=O)(=O)Nc1ccc(CCC[NH3+])cc1 ZINC000020224515 171087188 /nfs/dbraw/zinc/08/71/88/171087188.db2.gz ODBLJOKKOYIGKX-UHFFFAOYSA-N 1 0 257.359 0.796 10 0 CCAERO Cc1ccc(N(CCC[NH3+])S(=O)(=O)N(C)C)cc1 ZINC000020232906 171095686 /nfs/dbraw/zinc/09/56/86/171095686.db2.gz UWDYQRBORZEQDF-UHFFFAOYSA-N 1 0 271.386 0.957 10 0 CCAERO CCS(=O)(=O)N(CC[NH3+])c1ccccc1OC ZINC000020235839 171095911 /nfs/dbraw/zinc/09/59/11/171095911.db2.gz JZNYRRUKGUUUBA-UHFFFAOYSA-N 1 0 258.343 0.810 10 0 CCAERO COc1cccc(N(CC[NH3+])S(=O)(=O)N(C)C)c1 ZINC000020235965 171096401 /nfs/dbraw/zinc/09/64/01/171096401.db2.gz QMAQLZWEOMPOAZ-UHFFFAOYSA-N 1 0 273.358 0.267 10 0 CCAERO CNC(=O)[C@H](C)[NH2+]CCc1ccc(OC)c(OC)c1 ZINC000020309187 171143229 /nfs/dbraw/zinc/14/32/29/171143229.db2.gz YVPIJARCBGUEML-JTQLQIEISA-N 1 0 266.341 0.970 10 0 CCAERO COc1cccc([C@H](C[NH2+][C@H](C)C(N)=O)N(C)C)c1 ZINC000020310025 171143888 /nfs/dbraw/zinc/14/38/88/171143888.db2.gz FMFBDMMFYRQUFF-MFKMUULPSA-N 1 0 265.357 0.761 10 0 CCAERO CC(C)CNC(=O)[C@H](C)[NH2+][C@H]1CN2CCC1CC2 ZINC000020358435 171157291 /nfs/dbraw/zinc/15/72/91/171157291.db2.gz ZGLGGDHMWLERGV-AAEUAGOBSA-N 1 0 253.390 0.831 10 0 CCAERO CCN(CC)CC[NH2+][C@@H](C)C(=O)NCCCOC ZINC000020364718 171163625 /nfs/dbraw/zinc/16/36/25/171163625.db2.gz JLEBTDABSKTDFX-LBPRGKRZSA-N 1 0 259.394 0.459 10 0 CCAERO C[C@H]([NH3+])c1ccc(O[C@@H](C)C(=O)NC(N)=O)cc1 ZINC000020419295 171183778 /nfs/dbraw/zinc/18/37/78/171183778.db2.gz WDUSDORSJLVYII-YUMQZZPRSA-N 1 0 251.286 0.669 10 0 CCAERO CC1CCC(C[NH3+])(NS(=O)(=O)N2CCCC2)CC1 ZINC000020431678 171196625 /nfs/dbraw/zinc/19/66/25/171196625.db2.gz LWFNSURSPXQNOI-UHFFFAOYSA-N 1 0 275.418 0.824 10 0 CCAERO CCC1CCC(C[NH3+])(NS(=O)(=O)N(C)C)CC1 ZINC000020431693 171196676 /nfs/dbraw/zinc/19/66/76/171196676.db2.gz DVFCLADTVPYOED-UHFFFAOYSA-N 1 0 263.407 0.680 10 0 CCAERO C(C[NH2+][C@@H]1CN2CCC1CC2)CN1CCOCC1 ZINC000020441588 171205212 /nfs/dbraw/zinc/20/52/12/171205212.db2.gz DLVMFUHMMGWXLE-CQSZACIVSA-N 1 0 253.390 0.393 10 0 CCAERO C[C@@H]1CCCCN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000335044573 287252270 /nfs/dbraw/zinc/25/22/70/287252270.db2.gz VCQBJPCTROGXBW-CJNGLKHVSA-N 1 0 293.411 0.990 10 0 CCAERO COc1ccc(C[C@H](C[NH3+])C(N)=O)c(OC)c1OC ZINC000020579929 171256803 /nfs/dbraw/zinc/25/68/03/171256803.db2.gz QGEBZSNXABHSKB-SECBINFHSA-N 1 0 268.313 0.315 10 0 CCAERO C[C@H](O)C[NH2+]Cc1cc(Cl)ccc1OCC(N)=O ZINC000020873326 171277421 /nfs/dbraw/zinc/27/74/21/171277421.db2.gz UKMHWBXZEXPSAS-QMMMGPOBSA-N 1 0 272.732 0.675 10 0 CCAERO Cc1cc(N)c(S(=O)(=O)NCC[NH+](C)C)cc1C ZINC000021517838 171314154 /nfs/dbraw/zinc/31/41/54/171314154.db2.gz SHIQPXJZYCBMSJ-UHFFFAOYSA-N 1 0 271.386 0.726 10 0 CCAERO NC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2cccc(N)c2)C1 ZINC000022212105 171374005 /nfs/dbraw/zinc/37/40/05/171374005.db2.gz IORSOMPFGNJXAT-JTQLQIEISA-N 1 0 276.340 0.405 10 0 CCAERO NC(=O)[C@H]1CCCN(CC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000022219892 171377042 /nfs/dbraw/zinc/37/70/42/171377042.db2.gz SOUHAOQOIIAZOG-LBPRGKRZSA-N 1 0 290.367 0.281 10 0 CCAERO [NH3+]Cc1cccc(S(=O)(=O)N2CCC(O)CC2)c1 ZINC000022222904 171379209 /nfs/dbraw/zinc/37/92/09/171379209.db2.gz CEKAKWKQWKDTLI-UHFFFAOYSA-N 1 0 270.354 0.291 10 0 CCAERO CC[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCOC2)[C@@H](CC)CO1 ZINC000653176967 412254149 /nfs/dbraw/zinc/25/41/49/412254149.db2.gz HFIPFVVUZPDPLD-RWMBFGLXSA-N 1 0 270.373 0.638 10 0 CCAERO CCN1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC1 ZINC000653104499 412220586 /nfs/dbraw/zinc/22/05/86/412220586.db2.gz JDMPIHFAYQUPFQ-NXEZZACHSA-N 1 0 279.306 0.548 10 0 CCAERO CN(Cc1cn[nH]c1)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653120414 412229383 /nfs/dbraw/zinc/22/93/83/412229383.db2.gz QFZIISCWFPKHEQ-RKDXNWHRSA-N 1 0 276.262 0.766 10 0 CCAERO CN1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)CC1 ZINC000653127340 412234389 /nfs/dbraw/zinc/23/43/89/412234389.db2.gz QOYWWUFREATXRJ-RKDXNWHRSA-N 1 0 265.279 0.158 10 0 CCAERO Cn1c(C[NH2+]C2CCCCCC2)cc(=O)n(C)c1=O ZINC000035053417 171954414 /nfs/dbraw/zinc/95/44/14/171954414.db2.gz DRVSJHUGYWEATB-UHFFFAOYSA-N 1 0 265.357 0.896 10 0 CCAERO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)C(N)=O ZINC000035138346 172005440 /nfs/dbraw/zinc/00/54/40/172005440.db2.gz LVHNERIDEQWEAW-DTWKUNHWSA-N 1 0 250.298 0.982 10 0 CCAERO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCCO2)C(N)=O ZINC000035138347 172005775 /nfs/dbraw/zinc/00/57/75/172005775.db2.gz LVHNERIDEQWEAW-RKDXNWHRSA-N 1 0 250.298 0.982 10 0 CCAERO CC(C)[NH+](CCNc1nn(C)c(=O)n(C)c1=O)C(C)C ZINC000035179371 172032322 /nfs/dbraw/zinc/03/23/22/172032322.db2.gz ZIRSKVTUPALBKC-UHFFFAOYSA-N 1 0 283.376 0.010 10 0 CCAERO CC(C)NS(=O)(=O)c1ccc(NCC[NH3+])cc1 ZINC000035353249 172143538 /nfs/dbraw/zinc/14/35/38/172143538.db2.gz YMNWPOSKKMITAO-UHFFFAOYSA-N 1 0 257.359 0.744 10 0 CCAERO CC(C)NS(=O)(=O)c1ccccc1NCC[NH3+] ZINC000035353833 172145027 /nfs/dbraw/zinc/14/50/27/172145027.db2.gz QLQIYVMUOJHNCN-UHFFFAOYSA-N 1 0 257.359 0.744 10 0 CCAERO COC[C@H](C)NS(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000035679212 172349693 /nfs/dbraw/zinc/34/96/93/172349693.db2.gz WZUNWOOFXPZURV-QMMMGPOBSA-N 1 0 278.399 0.563 10 0 CCAERO O=C([O-])CC[NH+]1CCN(CC[NH+]2CCCCC2)CC1 ZINC000035687317 172355383 /nfs/dbraw/zinc/35/53/83/172355383.db2.gz CNNPOYAUWOADMI-UHFFFAOYSA-N 1 0 269.389 0.565 10 0 CCAERO O=S1(=O)C[C@H](N2CC[NH2+]CC2)c2ccccc21 ZINC000035688242 172356512 /nfs/dbraw/zinc/35/65/12/172356512.db2.gz MMQCUUVZQZVSFM-NSHDSACASA-N 1 0 252.339 0.420 10 0 CCAERO CC(C)N(C)C(=O)C[NH2+]C1CCS(=O)(=O)CC1 ZINC000036331845 172615660 /nfs/dbraw/zinc/61/56/60/172615660.db2.gz CVHSFTCVMLVJSG-UHFFFAOYSA-N 1 0 262.375 0.020 10 0 CCAERO C[N@@H+]1CC[C@H]2OCCN(C(=O)Cc3ccc(O)cc3)[C@H]2C1 ZINC000285702314 196371892 /nfs/dbraw/zinc/37/18/92/196371892.db2.gz IVDYTTADQMTGFI-LSDHHAIUSA-N 1 0 290.363 0.866 10 0 CCAERO CC1CCC(NC(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000037325743 173126353 /nfs/dbraw/zinc/12/63/53/173126353.db2.gz XWEGADSVLBLUJG-UHFFFAOYSA-N 1 0 267.373 0.503 10 0 CCAERO C[C@@H]([NH2+]CCCN1CCOCC1)C(=O)NC(C)(C)C ZINC000037388549 173171660 /nfs/dbraw/zinc/17/16/60/173171660.db2.gz NLEGNYVAWVIAFY-GFCCVEGCSA-N 1 0 271.405 0.602 10 0 CCAERO CNC(=O)[C@@H](CC(C)C)NC(=O)[C@](C)([NH3+])C1CC1 ZINC000037614648 173561255 /nfs/dbraw/zinc/56/12/55/173561255.db2.gz BZQKUZBDOHHRRV-ZWNOBZJWSA-N 1 0 255.362 0.391 10 0 CCAERO CN(C)C(=O)CCNC(=O)[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000037751321 173674562 /nfs/dbraw/zinc/67/45/62/173674562.db2.gz QHHSMQSXGVTVAI-GRYCIOLGSA-N 1 0 267.373 0.502 10 0 CCAERO C[NH2+]CCCC(=O)N(CCOC)[C@@H]1CCSC1 ZINC000037810529 173754674 /nfs/dbraw/zinc/75/46/74/173754674.db2.gz MIFLVRSQUWZVCH-LLVKDONJSA-N 1 0 260.403 0.967 10 0 CCAERO CN1CCN(S(=O)(=O)Cc2cccc(C[NH3+])c2)CC1 ZINC000037918478 173854852 /nfs/dbraw/zinc/85/48/52/173854852.db2.gz YEJMIJOGDHLBBN-UHFFFAOYSA-N 1 0 283.397 0.223 10 0 CCAERO C[C@@H](C[NH2+][C@H]1CCS(=O)(=O)C1)N1CCCCC1 ZINC000038029184 174019672 /nfs/dbraw/zinc/01/96/72/174019672.db2.gz KFRFDSOXNLGADH-RYUDHWBXSA-N 1 0 260.403 0.638 10 0 CCAERO COc1cc(CN(C)CC(=O)N2CC[NH2+]CC2)ccc1O ZINC000038030985 174022861 /nfs/dbraw/zinc/02/28/61/174022861.db2.gz URXGCIAXSQFFCV-UHFFFAOYSA-N 1 0 293.367 0.264 10 0 CCAERO CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000038045782 174054056 /nfs/dbraw/zinc/05/40/56/174054056.db2.gz AFXRTBNSCSGVHG-NXEZZACHSA-N 1 0 257.334 0.237 10 0 CCAERO CS(=O)(=O)CCC[NH2+]Cc1cccc(C(N)=O)c1 ZINC000038048154 174058892 /nfs/dbraw/zinc/05/88/92/174058892.db2.gz KCFPXOGWGYCXPB-UHFFFAOYSA-N 1 0 270.354 0.310 10 0 CCAERO [NH3+][C@H]1CCCC[C@H]1NS(=O)(=O)CCc1ccccn1 ZINC000038050208 174061834 /nfs/dbraw/zinc/06/18/34/174061834.db2.gz UYZIOKDDMBBOQM-QWHCGFSZSA-N 1 0 283.397 0.813 10 0 CCAERO [NH3+]Cc1cccc(NC(=O)NC[C@H]2COCCO2)c1 ZINC000038063234 174074500 /nfs/dbraw/zinc/07/45/00/174074500.db2.gz BEWXTXULMXDMSF-LBPRGKRZSA-N 1 0 265.313 0.682 10 0 CCAERO CCC[C@@](C)([NH3+])C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000038083817 174093811 /nfs/dbraw/zinc/09/38/11/174093811.db2.gz LJBKKUOUXZFPLJ-MWLCHTKSSA-N 1 0 262.375 0.055 10 0 CCAERO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)Cc1ccco1 ZINC000038092766 174106957 /nfs/dbraw/zinc/10/69/57/174106957.db2.gz RPSSNHMPLVZPPO-RKDXNWHRSA-N 1 0 253.302 0.644 10 0 CCAERO O=C1C[C@@H]([NH2+]CC[C@@H]2CCCO2)C(=O)N1C1CC1 ZINC000038096520 174110916 /nfs/dbraw/zinc/11/09/16/174110916.db2.gz LXRQERVAWFYXKH-WDEREUQCSA-N 1 0 252.314 0.435 10 0 CCAERO CC[C@H](C[NH3+])NS(=O)(=O)c1cc(F)ccc1F ZINC000040367072 174248623 /nfs/dbraw/zinc/24/86/23/174248623.db2.gz HHHTUPALFDIUPB-MRVPVSSYSA-N 1 0 264.297 0.980 10 0 CCAERO CO[C@H](C(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1)C1CCC1 ZINC000662780865 414789124 /nfs/dbraw/zinc/78/91/24/414789124.db2.gz RZQYLXHCDOIPGU-AVGNSLFASA-N 1 0 268.357 0.391 10 0 CCAERO Cc1cc(C)cc(CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)c1 ZINC000662645436 414736776 /nfs/dbraw/zinc/73/67/76/414736776.db2.gz CYSHDQYCWZXQEB-CYBMUJFWSA-N 1 0 298.408 0.682 10 0 CCAERO CC(C)(C(=O)N1CC[N@@H+]2CCC[C@H]2C1)n1cc(N)cn1 ZINC000662725328 414746913 /nfs/dbraw/zinc/74/69/13/414746913.db2.gz XNDYLGBUUFJXDI-LBPRGKRZSA-N 1 0 277.372 0.507 10 0 CCAERO CC(C)[C@@H](CO)NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000662832180 414824761 /nfs/dbraw/zinc/82/47/61/414824761.db2.gz GAHHWZLPRGKTCQ-IWSPIJDZSA-N 1 0 268.279 0.517 10 0 CCAERO [NH3+][C@@H]1CCCN(CN2C(=O)c3ccccc3C2=O)C1 ZINC000041665780 174597608 /nfs/dbraw/zinc/59/76/08/174597608.db2.gz HAUDVFICTKZNSO-SNVBAGLBSA-N 1 0 259.309 0.663 10 0 CCAERO O=C(C1CC1)N1CCC([NH2+]C2CCS(=O)CC2)CC1 ZINC000042353474 174692866 /nfs/dbraw/zinc/69/28/66/174692866.db2.gz BRUAGBOERGPJMK-UHFFFAOYSA-N 1 0 284.425 0.888 10 0 CCAERO COCCCN(CCOC)c1ncccc1C(N)=[NH2+] ZINC000042422603 174721868 /nfs/dbraw/zinc/72/18/68/174721868.db2.gz FHPQTTAFSWADRR-UHFFFAOYSA-N 1 0 266.345 0.855 10 0 CCAERO O=C1CCc2cc(OCCN3CC[NH2+]CC3)ccc2N1 ZINC000043500223 175058509 /nfs/dbraw/zinc/05/85/09/175058509.db2.gz HBSVDUMEZPBEHQ-UHFFFAOYSA-N 1 0 275.352 0.855 10 0 CCAERO CO[C@H]1CS(=O)(=O)C[C@H]1Nc1cc[nH+]c2ccccc12 ZINC000664267728 415317972 /nfs/dbraw/zinc/31/79/72/415317972.db2.gz MJYXFHAYCPTXOP-KGLIPLIRSA-N 1 0 292.360 0.881 10 0 CCAERO COCCCNC(=O)[C@@H](C)N(CC[NH3+])C1CCCC1 ZINC000070975455 176017942 /nfs/dbraw/zinc/01/79/42/176017942.db2.gz JVBGFURXWIVOGM-GFCCVEGCSA-N 1 0 271.405 0.731 10 0 CCAERO CN(C[C@@H]1CC[N@H+](C)C1)S(=O)(=O)c1ccnc(N)c1 ZINC000071193074 176075626 /nfs/dbraw/zinc/07/56/26/176075626.db2.gz NLPNUYJPFINRBH-SNVBAGLBSA-N 1 0 284.385 0.236 10 0 CCAERO COCCCS(=O)(=O)N(C)Cc1cccc(C[NH3+])c1 ZINC000071233320 176092771 /nfs/dbraw/zinc/09/27/71/176092771.db2.gz CEIQCOINKAKTLH-UHFFFAOYSA-N 1 0 286.397 0.943 10 0 CCAERO C[C@H]1C[C@@H]1NS(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000071244622 176095021 /nfs/dbraw/zinc/09/50/21/176095021.db2.gz FYTYHUCNAUTRGQ-CPCISQLKSA-N 1 0 258.318 0.971 10 0 CCAERO COC(C[NH2+]C1CN(C(=O)OC(C)(C)C)C1)OC ZINC000071335739 176126894 /nfs/dbraw/zinc/12/68/94/176126894.db2.gz IUFMOLWNIFAATD-UHFFFAOYSA-N 1 0 260.334 0.814 10 0 CCAERO CCn1c(C[NH3+])nnc1SCC(=O)NCC(F)(F)F ZINC000071374783 176140257 /nfs/dbraw/zinc/14/02/57/176140257.db2.gz XFEAKRIARNLNLL-UHFFFAOYSA-N 1 0 297.306 0.527 10 0 CCAERO COC(=O)[C@@H](C)Sc1nnc(C[NH3+])n1C1CC1 ZINC000071376394 176140975 /nfs/dbraw/zinc/14/09/75/176140975.db2.gz HOKRZUBLDBLHAE-ZCFIWIBFSA-N 1 0 256.331 0.725 10 0 CCAERO CCOc1ccc(C[C@@H](CO)N2CC[NH2+]CC2)cc1 ZINC000071597042 176220371 /nfs/dbraw/zinc/22/03/71/176220371.db2.gz DDHGEJRFMAJSQS-AWEZNQCLSA-N 1 0 264.369 0.894 10 0 CCAERO CC(C)(C)OC(=O)NCc1nnc(CCC[NH3+])[nH]1 ZINC000072236588 176345771 /nfs/dbraw/zinc/34/57/71/176345771.db2.gz LIYGMQWVYSHZDC-UHFFFAOYSA-N 1 0 255.322 0.721 10 0 CCAERO Cc1ncsc1CCN(C)C[C@@]1(O)C[NH2+]CCOC1 ZINC000077406621 177264240 /nfs/dbraw/zinc/26/42/40/177264240.db2.gz DSRXTAPQQDSSTQ-ZDUSSCGKSA-N 1 0 285.413 0.277 10 0 CCAERO COC(=O)CC(=O)N1CCOC2(CCC([NH3+])CC2)C1 ZINC000725243661 545874142 /nfs/dbraw/zinc/87/41/42/545874142.db2.gz BDZYEZJPUVETAP-UHFFFAOYSA-N 1 0 270.329 0.048 10 0 CCAERO CC(C)[NH2+]C[C@H](O)CCn1cc(S(C)(=O)=O)cn1 ZINC000725252219 545876808 /nfs/dbraw/zinc/87/68/08/545876808.db2.gz KQYDNGTXKNDDHS-SNVBAGLBSA-N 1 0 275.374 0.036 10 0 CCAERO C[C@@H]1C[C@@H](n2cc(S(C)(=O)=O)cn2)C[NH2+][C@@H]1C ZINC000725251654 545876914 /nfs/dbraw/zinc/87/69/14/545876914.db2.gz CZLCHNDMXHVUMM-OPRDCNLKSA-N 1 0 257.359 0.846 10 0 CCAERO Nc1c(I)cnn1C1C[NH2+]C1 ZINC000725258337 545881771 /nfs/dbraw/zinc/88/17/71/545881771.db2.gz PDZLCQNBBDTYCZ-UHFFFAOYSA-N 1 0 264.070 0.214 10 0 CCAERO CC(C)(C)OC(=O)C1(C[NH3+])CCS(=O)(=O)CC1 ZINC000725263508 545883915 /nfs/dbraw/zinc/88/39/15/545883915.db2.gz LTOFRMANBZTEQQ-UHFFFAOYSA-N 1 0 263.359 0.482 10 0 CCAERO O=C1C[C@@H](N2CC[NH2+]CC2)C[C@@H](C(F)(F)F)N1 ZINC000725263182 545883725 /nfs/dbraw/zinc/88/37/25/545883725.db2.gz SZJLYTMPQCQZOL-YUMQZZPRSA-N 1 0 251.252 0.101 10 0 CCAERO COc1cccc(CNC(=O)[C@@H]2[C@@H]3C[NH2+]C[C@@H]32)c1OC ZINC000575167603 335074437 /nfs/dbraw/zinc/07/44/37/335074437.db2.gz PMNCNHVXTWJIRF-PTEHBNRSSA-N 1 0 276.336 0.785 10 0 CCAERO CCCCS(=O)(=O)N1CC2(C1)C[NH2+]CC2(F)F ZINC000725264857 545884935 /nfs/dbraw/zinc/88/49/35/545884935.db2.gz MCMOHJWCLBJKQB-UHFFFAOYSA-N 1 0 268.329 0.657 10 0 CCAERO CC(C)CNC(=O)N1CCC2(CC1)OCC[C@H]2[NH3+] ZINC000725269233 545885769 /nfs/dbraw/zinc/88/57/69/545885769.db2.gz HDNBFYCPBUBVIX-LLVKDONJSA-N 1 0 255.362 0.934 10 0 CCAERO CO[C@@H]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000725268942 545885892 /nfs/dbraw/zinc/88/58/92/545885892.db2.gz HICHWKWHEGYJLG-WDEREUQCSA-N 1 0 279.344 0.064 10 0 CCAERO CC(C)CNC(=O)N1CCC2(CC1)OCC[C@@H]2[NH3+] ZINC000725269234 545886725 /nfs/dbraw/zinc/88/67/25/545886725.db2.gz HDNBFYCPBUBVIX-NSHDSACASA-N 1 0 255.362 0.934 10 0 CCAERO CCCn1nc(C(=O)OCC)c(C2C[NH2+]C2)c1N ZINC000725265406 545886440 /nfs/dbraw/zinc/88/64/40/545886440.db2.gz ZMQKGLNXKOVJGM-UHFFFAOYSA-N 1 0 252.318 0.739 10 0 CCAERO CC(C)C[NH2+]CC[C@H](CO)[C@@H]1CCS(=O)(=O)C1 ZINC000725267455 545887043 /nfs/dbraw/zinc/88/70/43/545887043.db2.gz IEHYQUQDSJYAQM-VXGBXAGGSA-N 1 0 263.403 0.665 10 0 CCAERO CC(=O)c1cn([C@H]2CCOC3(CC[NH2+]CC3)C2)nn1 ZINC000725272861 545889701 /nfs/dbraw/zinc/88/97/01/545889701.db2.gz STKCZRZBPCVHIL-NSHDSACASA-N 1 0 264.329 0.954 10 0 CCAERO C[NH2+][C@H](C)C(=O)NCc1ccc2c(c1)OCCO2 ZINC000054076122 544441130 /nfs/dbraw/zinc/44/11/30/544441130.db2.gz RKMWOVWECGPEAT-SECBINFHSA-N 1 0 250.298 0.682 10 0 CCAERO O=C(COC1CC[NH2+]CC1)NC[C@H]1CCCC[C@H]1O ZINC000085986697 544496497 /nfs/dbraw/zinc/49/64/97/544496497.db2.gz JRCUNPFDVXVSCW-DGCLKSJQSA-N 1 0 270.373 0.422 10 0 CCAERO C[C@@H]1CCN(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)C[C@H]1O ZINC000341619729 287538035 /nfs/dbraw/zinc/53/80/35/287538035.db2.gz SJJLOZHQBKEJCP-FDYHWXHSSA-N 1 0 269.389 0.881 10 0 CCAERO CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1CCCNC1=O ZINC000088288309 544504674 /nfs/dbraw/zinc/50/46/74/544504674.db2.gz VYAYPBYAIGPEAZ-QWRGUYRKSA-N 1 0 255.362 0.392 10 0 CCAERO CC[NH+](CC)CC1CCN(C(=O)[C@@H]2COCCN2)CC1 ZINC000088371165 544506613 /nfs/dbraw/zinc/50/66/13/544506613.db2.gz WGUXQMLZPCJIJZ-AWEZNQCLSA-N 1 0 283.416 0.555 10 0 CCAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CCC(NC(=O)C2CC2)CC1 ZINC000089456805 544513119 /nfs/dbraw/zinc/51/31/19/544513119.db2.gz WDJLRIGAVDNEEN-OCCSQVGLSA-N 1 0 293.411 0.879 10 0 CCAERO CC(C)CN(CC(N)=O)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089457336 544514261 /nfs/dbraw/zinc/51/42/61/544514261.db2.gz RVMLAIUIPFABGB-WDEREUQCSA-N 1 0 255.362 0.331 10 0 CCAERO O[C@H](C[NH2+]CC1CC(O)C1)COc1ccccc1F ZINC000091524394 544528051 /nfs/dbraw/zinc/52/80/51/544528051.db2.gz SQXOLXICNPAUJK-HTAVTVPLSA-N 1 0 269.316 0.926 10 0 CCAERO CN(C)C(=O)CN1CCC([NH2+][C@@H]2CCCOC2)CC1 ZINC000103953820 544558022 /nfs/dbraw/zinc/55/80/22/544558022.db2.gz LUDDDPAZOKVOAB-CYBMUJFWSA-N 1 0 269.389 0.308 10 0 CCAERO C[C@@H](NC(=O)COC1CC[NH2+]CC1)[C@H]1CCCO1 ZINC000111757500 544563557 /nfs/dbraw/zinc/56/35/57/544563557.db2.gz BRZVTKTZIFNTPK-ZYHUDNBSSA-N 1 0 256.346 0.439 10 0 CCAERO O[C@@H](CNCC1=CCCOC1)C[NH+]1CCCCC1 ZINC000126743348 544598147 /nfs/dbraw/zinc/59/81/47/544598147.db2.gz MRQSKZDZAZIUGW-AWEZNQCLSA-N 1 0 254.374 0.770 10 0 CCAERO CC(C)[NH2+]C[C@H](O)CS(=O)(=O)c1ccccc1 ZINC000126470313 544596214 /nfs/dbraw/zinc/59/62/14/544596214.db2.gz DFSSHDOHKPACQI-NSHDSACASA-N 1 0 257.355 0.819 10 0 CCAERO C[C@]1(C(=O)N2CCN(C[C@H]3CCCO3)CC2)CCCC[NH2+]1 ZINC000136194773 544637170 /nfs/dbraw/zinc/63/71/70/544637170.db2.gz UYXJCLUFPLUIBO-GDBMZVCRSA-N 1 0 295.427 0.842 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H](C)CN1CCOCC1 ZINC000136325537 544637958 /nfs/dbraw/zinc/63/79/58/544637958.db2.gz XBWFMVFVXXRXKQ-NWDGAFQWSA-N 1 0 257.378 0.197 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccc(CS(N)(=O)=O)cc1 ZINC000136354878 544638716 /nfs/dbraw/zinc/63/87/16/544638716.db2.gz KFNPEGUAYRSRJG-LBPRGKRZSA-N 1 0 299.396 0.787 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCN(C(=O)N(C)C)CC1 ZINC000136400148 544639040 /nfs/dbraw/zinc/63/90/40/544639040.db2.gz LKAOBLVJWAYESL-NSHDSACASA-N 1 0 270.377 0.186 10 0 CCAERO COc1c(CN2CCO[C@H]([C@@H](C)[NH3+])C2)c(C)nn1C ZINC000158513080 544689290 /nfs/dbraw/zinc/68/92/90/544689290.db2.gz IUOCAWUYYDOLNR-SKDRFNHKSA-N 1 0 268.361 0.285 10 0 CCAERO COC[C@@H]([NH3+])C(=O)N1CCOc2ccccc2C1 ZINC000159815638 544695147 /nfs/dbraw/zinc/69/51/47/544695147.db2.gz JTHYFLRNHAGHNG-LLVKDONJSA-N 1 0 250.298 0.381 10 0 CCAERO CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000179292080 544750798 /nfs/dbraw/zinc/75/07/98/544750798.db2.gz KFDZHMJLOGJUJO-WZRBSPASSA-N 1 0 294.399 0.532 10 0 CCAERO CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000179292088 544751943 /nfs/dbraw/zinc/75/19/43/544751943.db2.gz KFDZHMJLOGJUJO-LOWVWBTDSA-N 1 0 294.399 0.532 10 0 CCAERO CCCCN1CCOC[C@@H]1C(=O)N[C@@H]1CCN(C)C(=O)C1 ZINC000194171448 544807991 /nfs/dbraw/zinc/80/79/91/544807991.db2.gz CYGDITFQRIMYQL-CHWSQXEVSA-N 1 0 297.399 0.224 10 0 CCAERO C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1nnc2ccccn21 ZINC000195122754 544810313 /nfs/dbraw/zinc/81/03/13/544810313.db2.gz JJROEOJZYUYJEU-LLVKDONJSA-N 1 0 288.355 0.623 10 0 CCAERO CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC[NH2+][C@@H]2C)C1 ZINC000221601825 544817913 /nfs/dbraw/zinc/81/79/13/544817913.db2.gz RZSMTBCTTBLGHA-JLLWLGSASA-N 1 0 253.346 0.112 10 0 CCAERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccn(C)c(=O)c1 ZINC000221953456 544818555 /nfs/dbraw/zinc/81/85/55/544818555.db2.gz ISMMHGIDCVLVOU-NSHDSACASA-N 1 0 263.341 0.409 10 0 CCAERO C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000228599437 544845375 /nfs/dbraw/zinc/84/53/75/544845375.db2.gz KKYZPYQULBRNEB-GUBZILKMSA-N 1 0 299.396 0.495 10 0 CCAERO COCCOC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000231312297 544858994 /nfs/dbraw/zinc/85/89/94/544858994.db2.gz HYTUEBILXPFJAQ-JHJVBQTASA-N 1 0 261.362 0.151 10 0 CCAERO CCN1CCO[C@@H](CNCc2cn(C(C)(C)C)nn2)C1 ZINC000233487745 544866197 /nfs/dbraw/zinc/86/61/97/544866197.db2.gz PFJUFMDLHPVGSW-ZDUSSCGKSA-N 1 0 281.404 0.843 10 0 CCAERO FC(F)(F)c1ccc(NC[C@H]2COCC[NH2+]2)nn1 ZINC000236154606 544878850 /nfs/dbraw/zinc/87/88/50/544878850.db2.gz KWXKWRWUAYULJZ-ZETCQYMHSA-N 1 0 262.235 0.896 10 0 CCAERO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1COCCN1 ZINC000236750186 544884707 /nfs/dbraw/zinc/88/47/07/544884707.db2.gz BLQMTNPCLYTMFO-KGLIPLIRSA-N 1 0 283.416 0.746 10 0 CCAERO CC(=O)N[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000236727899 544885006 /nfs/dbraw/zinc/88/50/06/544885006.db2.gz SYWPUBGAKULPKH-ZGVCCVRISA-N 1 0 267.373 0.546 10 0 CCAERO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000251333794 544926146 /nfs/dbraw/zinc/92/61/46/544926146.db2.gz PIRLCPAZOZNCJJ-RVMXOQNASA-N 1 0 279.384 0.346 10 0 CCAERO C[C@H](Cn1ccnc1)NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000251567267 544927506 /nfs/dbraw/zinc/92/75/06/544927506.db2.gz KXOHROAZXTUQMW-GRYCIOLGSA-N 1 0 250.346 0.763 10 0 CCAERO CC(=O)N[C@@H]1CCN(C(=O)[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000252795319 544930957 /nfs/dbraw/zinc/93/09/57/544930957.db2.gz APJUUPQFWFQORF-WCQGTBRESA-N 1 0 253.346 0.112 10 0 CCAERO CCN1CCO[C@H](C[NH2+][C@H](C)c2cnccn2)C1 ZINC000252738693 544931898 /nfs/dbraw/zinc/93/18/98/544931898.db2.gz FRKQKDOHPMZTJW-VXGBXAGGSA-N 1 0 250.346 0.848 10 0 CCAERO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000253266367 544932735 /nfs/dbraw/zinc/93/27/35/544932735.db2.gz XMRIOQCFUVQDBW-SMTWKSNJSA-N 1 0 296.411 0.939 10 0 CCAERO C[C@H](O)CN1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C[C@H]1C ZINC000261721032 544936699 /nfs/dbraw/zinc/93/66/99/544936699.db2.gz KCYLVWHVRXVFHY-XJFOESAGSA-N 1 0 283.416 0.275 10 0 CCAERO COc1cc(OC)cc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262055948 544937935 /nfs/dbraw/zinc/93/79/35/544937935.db2.gz ALKQQFKYJGAENE-MFKMUULPSA-N 1 0 280.324 0.014 10 0 CCAERO COCCOc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262084488 544939488 /nfs/dbraw/zinc/93/94/88/544939488.db2.gz CQEYBSIQWRAFKC-GXTWGEPZSA-N 1 0 294.351 0.022 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)C1=Cc2ccccc2OC1 ZINC000262137181 544941613 /nfs/dbraw/zinc/94/16/13/544941613.db2.gz GWTVGTJYYNESIV-QWHCGFSZSA-N 1 0 274.320 0.159 10 0 CCAERO COc1cccc(SCC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000262150445 544942223 /nfs/dbraw/zinc/94/22/23/544942223.db2.gz HRHRBUXBSCYXNE-GXFFZTMASA-N 1 0 296.392 0.484 10 0 CCAERO COc1cccc([C@H](C)CC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262142427 544942420 /nfs/dbraw/zinc/94/24/20/544942420.db2.gz HHAYSLZOQSCIEC-ZLDLUXBVSA-N 1 0 292.379 0.885 10 0 CCAERO C[C@]1(C(N)=O)CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000300531838 544980200 /nfs/dbraw/zinc/98/02/00/544980200.db2.gz NLQDVGDPVUYBBY-CWSCBRNRSA-N 1 0 253.346 0.085 10 0 CCAERO C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000333809071 545043326 /nfs/dbraw/zinc/04/33/26/545043326.db2.gz ZUAAZFZFBOQWNN-RYUDHWBXSA-N 1 0 277.372 0.995 10 0 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CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3ncnn3C2)C1 ZINC000408073954 278116450 /nfs/dbraw/zinc/11/64/50/278116450.db2.gz YQZKEEAMPBREKL-GRYCIOLGSA-N 1 0 298.412 0.538 10 0 CCAERO C[C@H](CC(=O)N(C)C)[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000312054596 278162056 /nfs/dbraw/zinc/16/20/56/278162056.db2.gz DQRRKUJEAHLCNX-MBNYWOFBSA-N 1 0 270.373 0.781 10 0 CCAERO C[C@H](NC(=O)[C@@H]1OC[C@H]2COCC[C@H]21)C1=CC[N@H+](C)CC1 ZINC000332839953 278248835 /nfs/dbraw/zinc/24/88/35/278248835.db2.gz BVPOCFVGXVQMCA-ZGKBOVNRSA-N 1 0 294.395 0.805 10 0 CCAERO CC1(C)CCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000334595704 278251434 /nfs/dbraw/zinc/25/14/34/278251434.db2.gz LLEJVUZQDUXZFE-QWRGUYRKSA-N 1 0 267.373 0.631 10 0 CCAERO C[C@@H](CN1CCOCC1)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000246092973 278263884 /nfs/dbraw/zinc/26/38/84/278263884.db2.gz NWVNYXAMUSFDTR-UONOGXRCSA-N 1 0 279.388 0.636 10 0 CCAERO C[C@@H](NC(=O)c1ccco1)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000423945947 278331861 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CC[N@@H+]1CCC[C@H](NC(=O)NC2(CO)CCC2)C1 ZINC000408209982 279320402 /nfs/dbraw/zinc/32/04/02/279320402.db2.gz XFFIFDYNNZMZFP-NSHDSACASA-N 1 0 255.362 0.685 10 0 CCAERO C[C@H](CNC(=O)[C@@H]1OC[C@H]2COCC[C@@H]21)[NH+](C)C ZINC000408216569 279342212 /nfs/dbraw/zinc/34/22/12/279342212.db2.gz WSSMZVRQZJDDRE-WISYIIOYSA-N 1 0 256.346 0.104 10 0 CCAERO CC(C)N(C)S(=O)(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000248607187 279392475 /nfs/dbraw/zinc/39/24/75/279392475.db2.gz KDCSSEPBWMFZFF-HBNTYKKESA-N 1 0 261.391 0.241 10 0 CCAERO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CC[C@@H](F)C1 ZINC000335298635 279925379 /nfs/dbraw/zinc/92/53/79/279925379.db2.gz CPGJDSVJGVNYMS-HTQZYQBOSA-N 1 0 251.252 0.737 10 0 CCAERO O=C(N[C@@H]1C[C@H]2C[NH2+][C@@H]1C2)c1cc2ncoc2cn1 ZINC000216034736 279937237 /nfs/dbraw/zinc/93/72/37/279937237.db2.gz XDSDLZDKLOGIDL-DJLDLDEBSA-N 1 0 258.281 0.703 10 0 CCAERO CC(C)[C@@](C)(O)C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000192655277 280117200 /nfs/dbraw/zinc/11/72/00/280117200.db2.gz NIGKOGSRZFAJOL-QWHCGFSZSA-N 1 0 269.345 0.067 10 0 CCAERO c1ccc2c(c1)C[C@H]([NH2+][C@H]1CCc3nnnn3CC1)CO2 ZINC000333733448 280491052 /nfs/dbraw/zinc/49/10/52/280491052.db2.gz LHTOAIZVOXLUGZ-STQMWFEESA-N 1 0 285.351 0.971 10 0 CCAERO C[C@@H]1C[N@@H+]([C@@H]2CCCC[C@@H]2O)C[C@H]1N1CCOCC1 ZINC000245607848 288247806 /nfs/dbraw/zinc/24/78/06/288247806.db2.gz KKXQNHHRSHEFHW-TUVASFSCSA-N 1 0 268.401 0.942 10 0 CCAERO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)OC)C1 ZINC000236997020 280780794 /nfs/dbraw/zinc/78/07/94/280780794.db2.gz ZZFZHVZOIIBXIZ-AXFHLTTASA-N 1 0 256.346 0.771 10 0 CCAERO CC1(C)CN(C(=O)[C@@H](N)C(F)(F)F)CC[C@@H]1[NH3+] ZINC000335673876 281189665 /nfs/dbraw/zinc/18/96/65/281189665.db2.gz NOOSDWAQPLIEKZ-NKWVEPMBSA-N 1 0 253.268 0.462 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1CCC(=O)NC1 ZINC000252674520 288310996 /nfs/dbraw/zinc/31/09/96/288310996.db2.gz RTSNAHFCSOFGSS-WOPDTQHZSA-N 1 0 265.357 0.208 10 0 CCAERO CC1(C)CN(S(=O)(=O)N2CCCC2)CC[C@H]1[NH3+] ZINC000261555266 281252439 /nfs/dbraw/zinc/25/24/39/281252439.db2.gz PRGHMNOUWSMXOH-SNVBAGLBSA-N 1 0 261.391 0.386 10 0 CCAERO CC[C@H]1COCCN1C(=O)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000038043258 288320560 /nfs/dbraw/zinc/32/05/60/288320560.db2.gz LJWALDOCRVXKIS-ZFWWWQNUSA-N 1 0 295.427 0.840 10 0 CCAERO CC1(C)[C@H]([NH2+]CC2(S(C)(=O)=O)CC2)[C@@H]2CCO[C@@H]21 ZINC000366288448 281517636 /nfs/dbraw/zinc/51/76/36/281517636.db2.gz UXJBESFPSSJQRX-AXFHLTTASA-N 1 0 273.398 0.967 10 0 CCAERO CN(C(=O)N[C@H]1CCCc2occc21)[C@H]1C[NH2+]C[C@@H]1O ZINC000333952049 281800190 /nfs/dbraw/zinc/80/01/90/281800190.db2.gz ZPDLXLVXZLRRKE-SRVKXCTJSA-N 1 0 279.340 0.631 10 0 CCAERO CN(C)C(=O)[C@H]1C[C@H]2OCC[C@H]2[N@H+](CC2CC2)C1 ZINC000096083192 289027868 /nfs/dbraw/zinc/02/78/68/289027868.db2.gz DNTQCNFAVYJIJC-YNEHKIRRSA-N 1 0 252.358 0.964 10 0 CCAERO C[NH+](C)C[C@H]1CN(C(=O)c2ccc[nH]c2=O)CCO1 ZINC000116785768 289217405 /nfs/dbraw/zinc/21/74/05/289217405.db2.gz LRHHPLAGYCRPFY-JTQLQIEISA-N 1 0 265.313 0.190 10 0 CCAERO C[NH+]1CCC(NC(=O)N[C@@H]2CCC(=O)NC23CCC3)CC1 ZINC000334188498 289885131 /nfs/dbraw/zinc/88/51/31/289885131.db2.gz HMIKYUJANLEWPB-GFCCVEGCSA-N 1 0 294.399 0.581 10 0 CCAERO CN1CCO[C@H](CNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000333603038 290108913 /nfs/dbraw/zinc/10/89/13/290108913.db2.gz PSVNUHLMXFUEQS-REWJHTLYSA-N 1 0 296.415 0.086 10 0 CCAERO O=C(C1CCCC1)N1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508239 295444064 /nfs/dbraw/zinc/44/40/64/295444064.db2.gz IVMIEUPKEZCBCF-CYBMUJFWSA-N 1 0 279.384 0.599 10 0 CCAERO O=C(CCn1cncn1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186544256 295490028 /nfs/dbraw/zinc/49/00/28/295490028.db2.gz OHEHGWASVBJDSW-NSHDSACASA-N 1 0 263.345 0.411 10 0 CCAERO C[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000333624489 297102349 /nfs/dbraw/zinc/10/23/49/297102349.db2.gz RZTUIYGOZKDWCZ-YVECIDJPSA-N 1 0 267.373 0.947 10 0 CCAERO C[C@@H]1COCCN1CC[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000192801082 297124089 /nfs/dbraw/zinc/12/40/89/297124089.db2.gz 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COCCCNC(=O)CN(C)C(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000089392810 649655894 /nfs/dbraw/zinc/65/58/94/649655894.db2.gz DGVPGLMNZKECIQ-STQMWFEESA-N 1 0 299.415 0.363 10 0 CCAERO CCOC(=O)N1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089458334 649657438 /nfs/dbraw/zinc/65/74/38/649657438.db2.gz QBVQMPOYXKKPND-NWDGAFQWSA-N 1 0 283.372 0.662 10 0 CCAERO Cn1c2ccncc2n(CN2CC[N@@H+]3CCC[C@H]3C2)c1=O ZINC000246824424 649690294 /nfs/dbraw/zinc/69/02/94/649690294.db2.gz BIUCALUQLNYCNY-LBPRGKRZSA-N 1 0 287.367 0.473 10 0 CCAERO CC[C@@H]1CN(C(=O)C2=COCCC2)CC[N@@H+]1C[C@H](C)O ZINC000246980863 649697740 /nfs/dbraw/zinc/69/77/40/649697740.db2.gz UKBXOPGACXYWSX-GXTWGEPZSA-N 1 0 282.384 0.984 10 0 CCAERO [NH3+]C1CC(CNC(=O)[C@@H]2COc3ccccc3O2)C1 ZINC000091524614 649705650 /nfs/dbraw/zinc/70/56/50/649705650.db2.gz CACOFAFUURFZSS-ZPPKWKGLSA-N 1 0 262.309 0.680 10 0 CCAERO [NH3+]C1CC(CNS(=O)(=O)c2cccc(F)c2)C1 ZINC000091524167 649705779 /nfs/dbraw/zinc/70/57/79/649705779.db2.gz STUQYTPNDJQZAM-UHFFFAOYSA-N 1 0 258.318 0.841 10 0 CCAERO [NH3+]CCCCc1nc([C@H]2CN3CCC[C@@H]3CO2)no1 ZINC000091686583 649709765 /nfs/dbraw/zinc/70/97/65/649709765.db2.gz OIXMQLMSMQJFRU-GHMZBOCLSA-N 1 0 266.345 0.887 10 0 CCAERO C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@H]2CCCOC2)C[C@H]1C ZINC000249084632 649740839 /nfs/dbraw/zinc/74/08/39/649740839.db2.gz IIPUPDCPSNOMQU-HZSPNIEDSA-N 1 0 284.400 0.717 10 0 CCAERO C1C[NH2+]C[C@@H](c2nc([C@H]3CN4CCN3CC4)no2)C1 ZINC000094506360 649743791 /nfs/dbraw/zinc/74/37/91/649743791.db2.gz CCZFGKBZYATRCY-WDEREUQCSA-N 1 0 263.345 0.209 10 0 CCAERO COC(=O)[C@@H]1C[N@H+](C[C@H](O)C(F)(F)F)C[C@@H]1C ZINC000251835435 649821114 /nfs/dbraw/zinc/82/11/14/649821114.db2.gz PXRLJOPEMCWQDO-RNJXMRFFSA-N 1 0 255.236 0.651 10 0 CCAERO CC/C=C\CC(=O)N1C[C@@H]([NH3+])C[C@H]1C(=O)NC(C)C ZINC000096852246 649824561 /nfs/dbraw/zinc/82/45/61/649824561.db2.gz GRVLZDSKFUEKGY-YGABWQLJSA-N 1 0 267.373 0.796 10 0 CCAERO C[NH+]1CCN(CC[N@H+](CC(=O)[O-])Cc2ccccc2)CC1 ZINC000692477209 976502887 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10 0 CCAERO C[C@@H](CCO)C[NH2+]C[C@@H](O)COCc1ccco1 ZINC000097440740 349640780 /nfs/dbraw/zinc/64/07/80/349640780.db2.gz YGGMXWGPGIBPRA-NWDGAFQWSA-N 1 0 257.330 0.765 10 0 CCAERO CCC[N@@H+]1CC[C@H](CNC(=O)NCCc2nc(C)no2)C1 ZINC000101991614 349673382 /nfs/dbraw/zinc/67/33/82/349673382.db2.gz YNPSWPPXCJHWDU-GFCCVEGCSA-N 1 0 295.387 0.952 10 0 CCAERO CN(CC1CC[NH+](C)CC1)C(=O)NCc1ccnn1C ZINC000103508872 349700901 /nfs/dbraw/zinc/70/09/01/349700901.db2.gz DYSKNTOBXJVUCS-UHFFFAOYSA-N 1 0 279.388 0.903 10 0 CCAERO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H](C)COC)CC1 ZINC000103534715 349702224 /nfs/dbraw/zinc/70/22/24/349702224.db2.gz WNXBJJGIOJSVCI-KBPBESRZSA-N 1 0 285.432 0.659 10 0 CCAERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)N(C)C1CC1 ZINC000103283586 349696188 /nfs/dbraw/zinc/69/61/88/349696188.db2.gz CPCYTHLPTFXURT-UWVGGRQHSA-N 1 0 253.346 0.193 10 0 CCAERO Cc1ccccc1C(=O)NCC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000104189115 349711099 /nfs/dbraw/zinc/71/10/99/349711099.db2.gz WGSUQVQYRIKIFT-CYBMUJFWSA-N 1 0 289.379 0.793 10 0 CCAERO C[NH+](C)C[C@@H](NC(=O)c1cn[nH]n1)c1ccccc1 ZINC000108286410 349742935 /nfs/dbraw/zinc/74/29/35/349742935.db2.gz PUBHFJFARZHMAO-GFCCVEGCSA-N 1 0 259.313 0.837 10 0 CCAERO CC(C)CNC(=O)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105882862 349726826 /nfs/dbraw/zinc/72/68/26/349726826.db2.gz MYEMCOXKASGJHG-ZDUSSCGKSA-N 1 0 279.388 0.762 10 0 CCAERO CCCC[NH+]1CCC(NC(=O)[C@H]2CNC(=O)C2)CC1 ZINC000110368089 349759699 /nfs/dbraw/zinc/75/96/99/349759699.db2.gz SFUCVAROHLBJLH-LLVKDONJSA-N 1 0 267.373 0.503 10 0 CCAERO O=C(C[N@@H+]1CCC[C@H](Cn2cncn2)C1)NCC1CCC1 ZINC000108867797 349752238 /nfs/dbraw/zinc/75/22/38/349752238.db2.gz CTKGEURMFDIIQR-AWEZNQCLSA-N 1 0 291.399 0.906 10 0 CCAERO C[NH+](C)[C@H](CNC(=O)[C@@H]1CNC(=O)C1)c1ccccc1 ZINC000110343543 349758748 /nfs/dbraw/zinc/75/87/48/349758748.db2.gz BTMVBRHWNLCXGG-QWHCGFSZSA-N 1 0 275.352 0.542 10 0 CCAERO C[NH2+]CCOCCNc1ccc(C(=O)OC)c(C)n1 ZINC000600952099 362097819 /nfs/dbraw/zinc/09/78/19/362097819.db2.gz RBBMJJGQWBVMQG-UHFFFAOYSA-N 1 0 267.329 0.246 10 0 CCAERO COC(=O)c1cncc(N2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000600961600 362102797 /nfs/dbraw/zinc/10/27/97/362102797.db2.gz PUJTZYKRZMGFEB-DTWKUNHWSA-N 1 0 250.302 0.294 10 0 CCAERO COC[C@H](O)C[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000126618934 187251280 /nfs/dbraw/zinc/25/12/80/187251280.db2.gz CKXSVMYCTDTXSI-CYBMUJFWSA-N 1 0 280.372 0.304 10 0 CCAERO CCC[C@H](C(=O)N(C)CC(=O)NC(C)C)[NH+](C)C ZINC000153566778 290678608 /nfs/dbraw/zinc/67/86/08/290678608.db2.gz BZBZARPYQAXERN-LLVKDONJSA-N 1 0 257.378 0.700 10 0 CCAERO CCOC(=O)NCCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113227836 349806216 /nfs/dbraw/zinc/80/62/16/349806216.db2.gz WOYJNCYVLAEJDM-RYUDHWBXSA-N 1 0 283.372 0.818 10 0 CCAERO OCC[NH2+]C1CCN(c2cnc3c(n2)CCCC3)CC1 ZINC000333909951 136414793 /nfs/dbraw/zinc/41/47/93/136414793.db2.gz KZUMCBLOBRVFBN-UHFFFAOYSA-N 1 0 276.384 0.906 10 0 CCAERO CCNC(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000114580944 349835353 /nfs/dbraw/zinc/83/53/53/349835353.db2.gz RFXFXYGPLSEIBI-UHFFFAOYSA-N 1 0 291.399 0.995 10 0 CCAERO CS(=O)(=O)c1ccc2c(c1)O[C@H](C[NH2+]CCO)CC2 ZINC000115047596 349850240 /nfs/dbraw/zinc/85/02/40/349850240.db2.gz UFXCPZGYIFTGBV-NSHDSACASA-N 1 0 285.365 0.366 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H](C(=O)NC)C2)C1 ZINC000114940364 349846785 /nfs/dbraw/zinc/84/67/85/349846785.db2.gz SCMSESUBGHKLSG-STQMWFEESA-N 1 0 296.415 0.638 10 0 CCAERO C[NH+](C)Cc1cc(CNC(=O)[C@@H]2CNC(=O)C2)ccc1F ZINC000115416650 349854431 /nfs/dbraw/zinc/85/44/31/349854431.db2.gz CTQDMAQPHBCQFR-NSHDSACASA-N 1 0 293.342 0.640 10 0 CCAERO CCCSCC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116794742 349873433 /nfs/dbraw/zinc/87/34/33/349873433.db2.gz UIOUTKDDPQDQSM-LLVKDONJSA-N 1 0 260.403 0.919 10 0 CCAERO CNC(=O)[C@H](NC(=O)NCC[N@H+](C)C(C)C)C(C)C ZINC000178426911 529919584 /nfs/dbraw/zinc/91/95/84/529919584.db2.gz IQWLXGPUXWJZIB-LLVKDONJSA-N 1 0 272.393 0.396 10 0 CCAERO O=C(CCCc1ccc2c(c1)CC(=O)N2)N[C@H]1CC[NH2+]C1 ZINC000127143660 187285802 /nfs/dbraw/zinc/28/58/02/187285802.db2.gz QDUTXWTUBUSTOZ-ZDUSSCGKSA-N 1 0 287.363 0.982 10 0 CCAERO CCC[C@H](C(=O)NCC(C)(C)C(=O)NC)[NH+](C)C ZINC000162598654 290740784 /nfs/dbraw/zinc/74/07/84/290740784.db2.gz LYDQWLCIXHFMMN-SNVBAGLBSA-N 1 0 257.378 0.605 10 0 CCAERO C[NH+](C)C[C@@H]1CN(C(=O)/C=C\c2cccnc2)CCO1 ZINC000254986242 290752882 /nfs/dbraw/zinc/75/28/82/290752882.db2.gz PIULTUTYHNJDHR-GEXIGZQTSA-N 1 0 275.352 0.884 10 0 CCAERO C[C@H]1CC[C@@H](C(=O)NCCN2CCC([NH+](C)C)CC2)O1 ZINC000119297823 349928441 /nfs/dbraw/zinc/92/84/41/349928441.db2.gz HFBRHJOGPCWEIO-JSGCOSHPSA-N 1 0 283.416 0.696 10 0 CCAERO CNS(=O)(=O)CC[NH2+]C[C@@H](C)c1ccc(OC)cc1 ZINC000190311381 290756705 /nfs/dbraw/zinc/75/67/05/290756705.db2.gz VKBHCRPETBFEQL-LLVKDONJSA-N 1 0 286.397 0.938 10 0 CCAERO O=C1CCCN1C1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000120209459 349973171 /nfs/dbraw/zinc/97/31/71/349973171.db2.gz SIKSKVPXIYJURX-CYBMUJFWSA-N 1 0 279.384 0.742 10 0 CCAERO O=C1NCCCC[C@@H]1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000120202796 349973236 /nfs/dbraw/zinc/97/32/36/349973236.db2.gz UFVPZJMKTBHXMK-STQMWFEESA-N 1 0 251.374 0.825 10 0 CCAERO C[C@H](NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)C(=O)N(C)C ZINC000246759303 299134396 /nfs/dbraw/zinc/13/43/96/299134396.db2.gz ANMCZBHWVKBOBC-WOPDTQHZSA-N 1 0 282.388 0.341 10 0 CCAERO CCN(CC)C(=O)N1CCN(C(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085369001 136794275 /nfs/dbraw/zinc/79/42/75/136794275.db2.gz IYNXOBANJACTMB-STQMWFEESA-N 1 0 296.415 0.720 10 0 CCAERO Cn1cc([C@@H]2CCN(C(=O)CC(C)(C)[NH3+])C2)cn1 ZINC000178802515 136881983 /nfs/dbraw/zinc/88/19/83/136881983.db2.gz WDACQJDALZBIAD-SNVBAGLBSA-N 1 0 250.346 0.863 10 0 CCAERO CCOC(=O)NCCC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000185116508 136906372 /nfs/dbraw/zinc/90/63/72/136906372.db2.gz CPNHTHWOFRLZDU-HBNTYKKESA-N 1 0 269.345 0.318 10 0 CCAERO COCCOCC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186490557 136911959 /nfs/dbraw/zinc/91/19/59/136911959.db2.gz FWWNECARTPBWTB-NSHDSACASA-N 1 0 256.346 0.392 10 0 CCAERO COC[C@H](C)OC[C@H](O)C[N@@H+]1CCC[C@@H]1CCCO ZINC000234818663 136964455 /nfs/dbraw/zinc/96/44/55/136964455.db2.gz ZWNGXYHJEFMKSZ-BFHYXJOUSA-N 1 0 275.389 0.636 10 0 CCAERO C[C@@H](CNC(=O)[C@H]1CCCO[C@H]1C)N1CC[NH+](C)CC1 ZINC000250976304 137001749 /nfs/dbraw/zinc/00/17/49/137001749.db2.gz UXZMQXJWFNNUDT-IHRRRGAJSA-N 1 0 283.416 0.554 10 0 CCAERO CC[C@@H]1CN(C[C@@H](O)COC(C)C)CC[N@@H+]1CCOC ZINC000252321383 137002519 /nfs/dbraw/zinc/00/25/19/137002519.db2.gz AMNKFDWMEQNNOV-HUUCEWRRSA-N 1 0 288.432 0.815 10 0 CCAERO CC1(C)CN(Cc2nnnn2C2CC2)CC[C@H]1[NH3+] ZINC000261569846 137008851 /nfs/dbraw/zinc/00/88/51/137008851.db2.gz KBSPCDCZLPKJEA-SNVBAGLBSA-N 1 0 250.350 0.567 10 0 CCAERO CC1(C)CN(CC(=O)NC2CCOCC2)CC[C@@H]1[NH3+] ZINC000261576920 137009821 /nfs/dbraw/zinc/00/98/21/137009821.db2.gz CLDYCTWBNXVAFB-LBPRGKRZSA-N 1 0 269.389 0.341 10 0 CCAERO CN1CC[NH2+]C[C@H]1c1noc([C@H]2CCCOC2)n1 ZINC000263173530 137059465 /nfs/dbraw/zinc/05/94/65/137059465.db2.gz GAKXRRZXKFQEHW-UWVGGRQHSA-N 1 0 252.318 0.540 10 0 CCAERO COC[C@@H]([NH3+])C(=O)NC[C@@H](O)c1ccccc1C ZINC000262357266 137040375 /nfs/dbraw/zinc/04/03/75/137040375.db2.gz VDEGBUOYWMJPEG-VXGBXAGGSA-N 1 0 252.314 0.118 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc(Cl)cc1 ZINC000262371277 137040792 /nfs/dbraw/zinc/04/07/92/137040792.db2.gz WCWRAXLPOHJEKS-GXSJLCMTSA-N 1 0 254.717 0.650 10 0 CCAERO COc1cccc(Cl)c1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262388022 137041367 /nfs/dbraw/zinc/04/13/67/137041367.db2.gz XPXWHOZCOFYOFE-SCZZXKLOSA-N 1 0 284.743 0.659 10 0 CCAERO Cc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)ccc1Cl ZINC000262386658 137041816 /nfs/dbraw/zinc/04/18/16/137041816.db2.gz XLVRVCXGOBPQJU-JQWIXIFHSA-N 1 0 268.744 0.959 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cccc(F)c1Cl ZINC000262399010 137041909 /nfs/dbraw/zinc/04/19/09/137041909.db2.gz YLMNHYHEHDUQKE-XVKPBYJWSA-N 1 0 272.707 0.789 10 0 CCAERO CCc1oc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1C ZINC000262409002 137042399 /nfs/dbraw/zinc/04/23/99/137042399.db2.gz ZAXJIBSSKVWBJX-VHSXEESVSA-N 1 0 252.314 0.461 10 0 CCAERO Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000262455347 137043590 /nfs/dbraw/zinc/04/35/90/137043590.db2.gz HLDPNQWMUGEVQK-HTQZYQBOSA-N 1 0 291.355 0.239 10 0 CCAERO Cc1cc(NC(=O)[C@H](C)C2C[NH2+]C2)ccc1C(N)=O ZINC000262557577 137046817 /nfs/dbraw/zinc/04/68/17/137046817.db2.gz PUTDOQLARIYAPH-SECBINFHSA-N 1 0 261.325 0.888 10 0 CCAERO CCC[C@@H](NC(N)=O)C(=O)NCC([NH3+])(CC)CC ZINC000262592329 137047733 /nfs/dbraw/zinc/04/77/33/137047733.db2.gz FTPKZOBAOCUEKD-SECBINFHSA-N 1 0 258.366 0.457 10 0 CCAERO NC(=O)CC[C@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000261745125 137017504 /nfs/dbraw/zinc/01/75/04/137017504.db2.gz MEBGQIMAXFXEJE-JHJVBQTASA-N 1 0 281.400 0.866 10 0 CCAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1ccc(N2CCCC2)nc1 ZINC000263161379 137059037 /nfs/dbraw/zinc/05/90/37/137059037.db2.gz DVTDDEFELQVIRP-KBPBESRZSA-N 1 0 276.384 0.352 10 0 CCAERO COc1cccc(N2C[C@@H](NC(=O)C[C@@H](C)[NH3+])CC2=O)c1 ZINC000261863338 137022873 /nfs/dbraw/zinc/02/28/73/137022873.db2.gz RMGDDUVVTIABDZ-MNOVXSKESA-N 1 0 291.351 0.654 10 0 CCAERO C[C@@H]([NH3+])CC(=O)N[C@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000261876968 137023804 /nfs/dbraw/zinc/02/38/04/137023804.db2.gz SWNMXWBPVWOMIN-RKDXNWHRSA-N 1 0 277.324 0.932 10 0 CCAERO COC(=O)c1ccc(Cl)c(CNC[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263155744 137059206 /nfs/dbraw/zinc/05/92/06/137059206.db2.gz DKGVPNQVAADRHQ-YPMHNXCESA-N 1 0 298.770 0.797 10 0 CCAERO CN(CC1CCC1)C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000261919628 137025980 /nfs/dbraw/zinc/02/59/80/137025980.db2.gz KDKXSQJDGOZCDT-KGLIPLIRSA-N 1 0 276.384 0.982 10 0 CCAERO Cc1ccc(NC(=O)[C@H](C)C2C[NH2+]C2)cc1C(N)=O ZINC000262196371 137030468 /nfs/dbraw/zinc/03/04/68/137030468.db2.gz MOWANTOSODKKJY-SECBINFHSA-N 1 0 261.325 0.888 10 0 CCAERO C[C@@H](C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1)C1C[NH2+]C1 ZINC000262199128 137030642 /nfs/dbraw/zinc/03/06/42/137030642.db2.gz 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CC(=O)N1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)[C@@H](C)C1 ZINC000333816168 354799440 /nfs/dbraw/zinc/79/94/40/354799440.db2.gz KEDBQSINLTYBAE-WCQYABFASA-N 1 0 282.388 0.391 10 0 CCAERO CCCN1CCCN(C(=O)N[C@H]2CCCC[NH2+]C2)CC1=O ZINC000333865539 354807954 /nfs/dbraw/zinc/80/79/54/354807954.db2.gz SVURQTYBMWCIAT-ZDUSSCGKSA-N 1 0 296.415 0.782 10 0 CCAERO C[C@H](Nc1nc2c(cnn2C)c(N)n1)[C@H]1CCC[NH2+]C1 ZINC000333927330 354817021 /nfs/dbraw/zinc/81/70/21/354817021.db2.gz WGYTXLGODDJPLT-IUCAKERBSA-N 1 0 275.360 0.167 10 0 CCAERO CN(C(=O)NCCOC1CCCCC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333935415 354818241 /nfs/dbraw/zinc/81/82/41/354818241.db2.gz JMVGEJRAMCVHAZ-STQMWFEESA-N 1 0 285.388 0.310 10 0 CCAERO O=C(NC1C[NH2+]C1)N[C@@H]1CCOC2(CCCC2)C1 ZINC000334924896 354937067 /nfs/dbraw/zinc/93/70/67/354937067.db2.gz IGCQAGWPYDSYLJ-SNVBAGLBSA-N 1 0 253.346 0.749 10 0 CCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CCNC(=O)c1cccs1 ZINC000423643770 235027012 /nfs/dbraw/zinc/02/70/12/235027012.db2.gz MVWSFEHVPIMROB-ZJUUUORDSA-N 1 0 281.381 0.816 10 0 CCAERO O=C([C@H]1CCNCC1(F)F)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000335120229 354966781 /nfs/dbraw/zinc/96/67/81/354966781.db2.gz VJQPSDGOVKDGEM-VXGBXAGGSA-N 1 0 287.354 0.928 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cccc(Cl)c1F ZINC000335161958 354976944 /nfs/dbraw/zinc/97/69/44/354976944.db2.gz MCSIWFQOQNOLDY-XCBNKYQSSA-N 1 0 272.707 0.789 10 0 CCAERO O=C(NC1C[NH2+]C1)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000335377641 354995053 /nfs/dbraw/zinc/99/50/53/354995053.db2.gz IOJTZMMFKJTQGD-MRXNPFEDSA-N 1 0 287.363 0.842 10 0 CCAERO Cc1scc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1C ZINC000335469974 354999642 /nfs/dbraw/zinc/99/96/42/354999642.db2.gz MRDDGJDXWDUAOS-KOLCDFICSA-N 1 0 254.355 0.675 10 0 CCAERO CCCN(C)S(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000252465273 283073455 /nfs/dbraw/zinc/07/34/55/283073455.db2.gz PTODJNIWNAYLLF-VXGBXAGGSA-N 1 0 275.418 0.742 10 0 CCAERO C[C@H]1CN(S(=O)(=O)CC[NH+]2CCCC2)C[C@H]1C ZINC000336079153 355086786 /nfs/dbraw/zinc/08/67/86/355086786.db2.gz FKYMTBIZIXNXKP-TXEJJXNPSA-N 1 0 260.403 1.000 10 0 CCAERO CCC(=O)N1CC[C@H](NC(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)C1 ZINC000341344479 355657257 /nfs/dbraw/zinc/65/72/57/355657257.db2.gz GVYVRDIMOVVNMU-FRRDWIJNSA-N 1 0 296.415 0.779 10 0 CCAERO CC(C)n1nnnc1C[NH2+][C@@H](CO)C1CCCC1 ZINC000352678178 356051575 /nfs/dbraw/zinc/05/15/75/356051575.db2.gz NBEVCXWPTBOUNO-NSHDSACASA-N 1 0 253.350 0.895 10 0 CCAERO CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]2CCc3n[nH]nc3C2)C1 ZINC000328767345 202045744 /nfs/dbraw/zinc/04/57/44/202045744.db2.gz HQKALWZPDUXTIF-RYUDHWBXSA-N 1 0 291.399 0.852 10 0 CCAERO CN1C(=O)N[C@@H]2CN([C@@H]3CCN(C4CC4)C3=O)CC[C@@H]21 ZINC000328996946 202144854 /nfs/dbraw/zinc/14/48/54/202144854.db2.gz WOPSHFDEONYPJH-GRYCIOLGSA-N 1 0 278.356 0.052 10 0 CCAERO Cn1nccc1[C@@H]1OCC[C@H]1C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC000329006054 202148904 /nfs/dbraw/zinc/14/89/04/202148904.db2.gz XRDAKXZMXPWAQJ-ZJQBRPOHSA-N 1 0 283.347 0.902 10 0 CCAERO C[C@H]1CCN(C(=O)CCC(=O)N2CCOCC2)[C@@H](C[NH3+])C1 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CCAERO O=C(C1CCSCC1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404179156 357818075 /nfs/dbraw/zinc/81/80/75/357818075.db2.gz CSUJCYSZTWMRSO-NWDGAFQWSA-N 1 0 270.398 0.719 10 0 CCAERO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc(=O)[nH]c(N(C)C)n1 ZINC000407987675 357852609 /nfs/dbraw/zinc/85/26/09/357852609.db2.gz DXBZUBZTVUMQHH-VHSXEESVSA-N 1 0 293.371 0.413 10 0 CCAERO C[C@H]1CCCC[N@@H+]1CCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000408000143 357860863 /nfs/dbraw/zinc/86/08/63/357860863.db2.gz ZKZUAVMDGBKGKO-RYUDHWBXSA-N 1 0 288.413 0.554 10 0 CCAERO C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@](O)(C(N)=O)C2)CCO1 ZINC000408039846 357881620 /nfs/dbraw/zinc/88/16/20/357881620.db2.gz ZIKYXJNAYRWCCN-WZRBSPASSA-N 1 0 256.346 0.114 10 0 CCAERO CO[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[C@H]2CO)N(C)C1 ZINC000408046779 357886620 /nfs/dbraw/zinc/88/66/20/357886620.db2.gz XYUOURKALXVZQT-CYDGBPFRSA-N 1 0 270.373 0.373 10 0 CCAERO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1C[C@H](F)C[C@H]1C(N)=O ZINC000408064890 357898143 /nfs/dbraw/zinc/89/81/43/357898143.db2.gz MDPYHMJTLKYMSC-MMWGEVLESA-N 1 0 271.336 0.284 10 0 CCAERO C[C@@H]1C[C@@H](C(=O)NCC2CC[NH+](C)CC2)CC(=O)N1 ZINC000408207591 357971235 /nfs/dbraw/zinc/97/12/35/357971235.db2.gz WXMNNMZNCRMPQR-ZYHUDNBSSA-N 1 0 267.373 0.359 10 0 CCAERO CO[C@@]1(C)CCCN(C(=O)NC[C@H](C)N2CCOCC2)C1 ZINC000408283248 358008386 /nfs/dbraw/zinc/00/83/86/358008386.db2.gz HXLMWDUJXGJFTR-ZFWWWQNUSA-N 1 0 299.415 0.918 10 0 CCAERO CC(=O)N1CC[C@@H](C(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000408301517 358021420 /nfs/dbraw/zinc/02/14/20/358021420.db2.gz SQAOFLRRJPRZGB-GFCCVEGCSA-N 1 0 267.373 0.455 10 0 CCAERO C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H]2CC[S@@](=O)C2)C1 ZINC000408309986 358026695 /nfs/dbraw/zinc/02/66/95/358026695.db2.gz PBWMBRJDUHAEBY-CSJMPQKXSA-N 1 0 273.402 0.243 10 0 CCAERO C[C@@H]([NH2+]C1CC1)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000336231449 213061145 /nfs/dbraw/zinc/06/11/45/213061145.db2.gz JJAWLCNFVHUWGR-DGCLKSJQSA-N 1 0 251.374 0.824 10 0 CCAERO CO[C@@H]1CN(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)C[C@@H]1OC ZINC000408357600 358049716 /nfs/dbraw/zinc/04/97/16/358049716.db2.gz BKIOZGAKTPVPHF-QNWHQSFQSA-N 1 0 285.388 0.524 10 0 CCAERO C[C@@]1(O)CCCN(Cc2ncnn2CC(F)F)C1 ZINC000408360810 358051972 /nfs/dbraw/zinc/05/19/72/358051972.db2.gz ZIXTYDRRRISEKL-LLVKDONJSA-N 1 0 260.288 0.890 10 0 CCAERO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC[C@](O)(C(N)=O)C1 ZINC000408454648 358102802 /nfs/dbraw/zinc/10/28/02/358102802.db2.gz BIPSNHUTYXBGAK-UKRRQHHQSA-N 1 0 283.416 0.562 10 0 CCAERO [NH3+][C@@H]1CCc2nnc(N3CCSCC3)cc2C1 ZINC000409422266 358111664 /nfs/dbraw/zinc/11/16/64/358111664.db2.gz DIFMUFKNTSWMAA-SNVBAGLBSA-N 1 0 250.371 0.846 10 0 CCAERO CO[C@H]1C[C@@H](CN(C)C(=O)[C@@H]2C[C@H](C)CC(=O)N2)[N@H+](C)C1 ZINC000329207633 202232266 /nfs/dbraw/zinc/23/22/66/202232266.db2.gz YMIMGTBOXLSHJV-CYDGBPFRSA-N 1 0 297.399 0.919 10 0 CCAERO CCc1nnc(CN2CCC[C@H]([C@@H](C)[NH3+])C2)n1C ZINC000573325081 358957572 /nfs/dbraw/zinc/95/75/72/358957572.db2.gz IJFXYRJLJBIADR-MNOVXSKESA-N 1 0 251.378 0.937 10 0 CCAERO NC(=[NH2+])NCCN1CCN(c2ccccc2Cl)CC1 ZINC000584604968 359178850 /nfs/dbraw/zinc/17/88/50/359178850.db2.gz RUPQSHINVQLMLE-UHFFFAOYSA-N 1 0 281.791 0.945 10 0 CCAERO CC(C)(C)S(=O)(=O)N[C@@H]1CC(F)(F)C[C@H]1[NH3+] ZINC000584627150 359183062 /nfs/dbraw/zinc/18/30/62/359183062.db2.gz KAERCXSUTOLGFD-RNFRBKRXSA-N 1 0 256.318 0.829 10 0 CCAERO CCc1nnc(C)cc1C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000582600791 359150472 /nfs/dbraw/zinc/15/04/72/359150472.db2.gz CYKZYFOMENLVKX-QWHCGFSZSA-N 1 0 276.340 0.160 10 0 CCAERO CCOC(=O)c1ccc(NCC[NH2+]CCO)cc1 ZINC000584598357 359177687 /nfs/dbraw/zinc/17/76/87/359177687.db2.gz RHFKVZNCQJTYAG-UHFFFAOYSA-N 1 0 252.314 0.857 10 0 CCAERO Cc1cc2ncc(C(=O)N3C[C@H](C)[C@H]([NH3+])C3)c(C)n2n1 ZINC000563116400 291195365 /nfs/dbraw/zinc/19/53/65/291195365.db2.gz FTGYREIAKIFACA-QPUJVOFHSA-N 1 0 273.340 0.765 10 0 CCAERO C[NH+](C)[C@@H]1CCN(C(=O)c2cnn3ccncc23)C1 ZINC000329455827 202345576 /nfs/dbraw/zinc/34/55/76/202345576.db2.gz PZXGJOKBTBFNPS-SNVBAGLBSA-N 1 0 259.313 0.505 10 0 CCAERO COC(=O)N[C@H](C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)C(C)C ZINC000248643624 291206638 /nfs/dbraw/zinc/20/66/38/291206638.db2.gz RUPONORQLZTEJP-YFKTTZPYSA-N 1 0 283.372 0.563 10 0 CCAERO CSC[C@@H]1CCCN1C(=O)[C@H]1C[NH2+]CCOC1 ZINC000592963259 360003217 /nfs/dbraw/zinc/00/32/17/360003217.db2.gz IBXNODUHIXXHPC-QWRGUYRKSA-N 1 0 258.387 0.576 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccn(C)n1 ZINC000176891930 189013508 /nfs/dbraw/zinc/01/35/08/189013508.db2.gz GAZPQWLINRODJE-LLVKDONJSA-N 1 0 293.371 0.301 10 0 CCAERO COC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H](C)CC[NH2+]2)C1 ZINC000593912031 360208116 /nfs/dbraw/zinc/20/81/16/360208116.db2.gz SBEOPLUQUAARCG-UTUOFQBUSA-N 1 0 268.357 0.786 10 0 CCAERO Cn1nccc1C[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000177557859 189057177 /nfs/dbraw/zinc/05/71/77/189057177.db2.gz CCQJIBITMVDFQV-LBPRGKRZSA-N 1 0 272.356 0.969 10 0 CCAERO Cn1cc([C@@H]2CC[N@H+](CCCOC(=O)NC(N)=O)C2)cn1 ZINC000180498807 189258895 /nfs/dbraw/zinc/25/88/95/189258895.db2.gz ICEFWHMGEXQAII-SNVBAGLBSA-N 1 0 295.343 0.404 10 0 CCAERO C[C@@H](NC(=O)C1(C[NH3+])CCOCC1)C(=O)N1CCCCC1 ZINC000135416965 296039731 /nfs/dbraw/zinc/03/97/31/296039731.db2.gz HMJWFCCEYWDOOF-GFCCVEGCSA-N 1 0 297.399 0.259 10 0 CCAERO COC(=O)C1CCC([NH2+][C@H]2CCOC[C@@H]2O)CC1 ZINC000599080084 361566746 /nfs/dbraw/zinc/56/67/46/361566746.db2.gz JZLLFBUMRQUAJV-QQFIATSDSA-N 1 0 257.330 0.458 10 0 CCAERO CCOC(=O)C1CCC([NH2+][C@H]2CCOC[C@H]2O)CC1 ZINC000599083803 361568040 /nfs/dbraw/zinc/56/80/40/361568040.db2.gz XOWZTHNYWKUZRP-IFWUJCSASA-N 1 0 271.357 0.848 10 0 CCAERO C[C@H]1CN(Cc2nnnn2Cc2ccccc2)C[C@H]1C[NH3+] ZINC000631841761 370708254 /nfs/dbraw/zinc/70/82/54/370708254.db2.gz PJQPGKRJAZOKSJ-GXTWGEPZSA-N 1 0 286.383 0.748 10 0 CCAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCO[C@@H](CCO)CC1 ZINC000616666160 365418707 /nfs/dbraw/zinc/41/87/07/365418707.db2.gz JXABBLLJBUPBNC-GFCCVEGCSA-N 1 0 288.388 0.984 10 0 CCAERO CC(=O)[C@@H]1C[NH2+]CCN1CCNC(=O)OC(C)(C)C ZINC000616635914 365395417 /nfs/dbraw/zinc/39/54/17/365395417.db2.gz NFLKJUMXKXXUHV-NSHDSACASA-N 1 0 271.361 0.374 10 0 CCAERO CC(C)(C)OC(=O)NCCN1CC[NH2+]C[C@H]1c1ncc[nH]1 ZINC000616635609 365395918 /nfs/dbraw/zinc/39/59/18/365395918.db2.gz IKSVEKGYUYJGKI-NSHDSACASA-N 1 0 295.387 0.881 10 0 CCAERO CC(=O)Nc1ccc([C@@H]2COCCN2CC[NH3+])cc1 ZINC000616639965 365399161 /nfs/dbraw/zinc/39/91/61/365399161.db2.gz AWBIEEXGJLRMMZ-AWEZNQCLSA-N 1 0 263.341 0.977 10 0 CCAERO CC(C)(C)OC(=O)NCC[N@@H+]1CCCOC[C@H]1CCO ZINC000616645580 365404454 /nfs/dbraw/zinc/40/44/54/365404454.db2.gz PBAMCHDHNQJREM-GFCCVEGCSA-N 1 0 288.388 0.984 10 0 CCAERO CC(C)(C)OC(=O)NCC[C@H]1CN(CC[NH3+])CCCO1 ZINC000616652721 365409840 /nfs/dbraw/zinc/40/98/40/365409840.db2.gz JDQJKZAOHQGDOE-LBPRGKRZSA-N 1 0 287.404 0.951 10 0 CCAERO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCNC2=O)o1 ZINC000616966778 365498113 /nfs/dbraw/zinc/49/81/13/365498113.db2.gz 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AKRZCRMZEHRFSZ-UHFFFAOYSA-N 1 0 262.357 0.697 10 0 CCAERO CCCc1nsc(NCC2([NH3+])CCOCC2)n1 ZINC000630524909 370145538 /nfs/dbraw/zinc/14/55/38/370145538.db2.gz ZVZMUAXVVVUNBG-UHFFFAOYSA-N 1 0 256.375 0.832 10 0 CCAERO C[NH2+]CCOCCN(C)c1nccn2c(C)nnc12 ZINC000630529157 370148356 /nfs/dbraw/zinc/14/83/56/370148356.db2.gz SRWFMGKXUQJNIB-UHFFFAOYSA-N 1 0 264.333 0.105 10 0 CCAERO O=C(N[C@H]1COc2ccccc21)c1[nH]nc2c1C[NH2+]CC2 ZINC000188474765 284255327 /nfs/dbraw/zinc/25/53/27/284255327.db2.gz JLGIGGYULIVDPW-LBPRGKRZSA-N 1 0 284.319 0.919 10 0 CCAERO C[C@H]1C[C@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)CC[N@@H+]1C ZINC000634768527 372215751 /nfs/dbraw/zinc/21/57/51/372215751.db2.gz NQXMFZYDJYJKNO-XPCVCDNBSA-N 1 0 265.401 0.975 10 0 CCAERO C[C@H](NC(=O)N[C@@H]1CCCC[NH2+]C1)[C@H]1CCOC1 ZINC000333155677 205076688 /nfs/dbraw/zinc/07/66/88/205076688.db2.gz FRVUZYJLHAJUAU-SDDRHHMPSA-N 1 0 255.362 0.853 10 0 CCAERO CN(CC1CC(O)C1)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000333365081 205256675 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C[C@H](NC(=O)[C@]1(C[NH3+])CCCOC1)[C@@H]1CCCO1 ZINC000637929016 374481320 /nfs/dbraw/zinc/48/13/20/374481320.db2.gz HDFNKTJNDKBHHX-GVXVVHGQSA-N 1 0 256.346 0.426 10 0 CCAERO CN(C[C@H]1CCCO1)C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000637909441 374468514 /nfs/dbraw/zinc/46/85/14/374468514.db2.gz ITKRCBZZYWFEFT-YPMHNXCESA-N 1 0 256.346 0.379 10 0 CCAERO CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H]2CCC[C@@H]2O)C1 ZINC000637965380 374515104 /nfs/dbraw/zinc/51/51/04/374515104.db2.gz RACUYWXMJKYEKQ-BLFANLJRSA-N 1 0 256.346 0.031 10 0 CCAERO CC(=O)N[C@H](CC(C)C)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000638167612 374748244 /nfs/dbraw/zinc/74/82/44/374748244.db2.gz OCPRURPAUVGTFY-XDQVBPFNSA-N 1 0 281.400 0.733 10 0 CCAERO CC(=O)N[C@H](CC(C)C)C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000638235378 374828959 /nfs/dbraw/zinc/82/89/59/374828959.db2.gz OFHZZMYFWYVERD-MVWJERBFSA-N 1 0 255.362 0.485 10 0 CCAERO COC[C@]1(C(=O)NCc2oc(C)nc2C)CCC[NH2+]1 ZINC000638443924 375047724 /nfs/dbraw/zinc/04/77/24/375047724.db2.gz 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ZINC000638889404 375428975 /nfs/dbraw/zinc/42/89/75/375428975.db2.gz URQKLFMEXVVMCG-PUHVVEEASA-N 1 0 297.424 0.494 10 0 CCAERO CC(C)N1CC[C@@H](n2cc(C(C)(C)[NH3+])nn2)C1=O ZINC000641046118 376710698 /nfs/dbraw/zinc/71/06/98/376710698.db2.gz QKCSXXZSDVDURJ-SECBINFHSA-N 1 0 251.334 0.654 10 0 CCAERO Cc1csc2c1ncnc2NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000643040667 377702558 /nfs/dbraw/zinc/70/25/58/377702558.db2.gz LRSBPFGAGGZIHI-IUCAKERBSA-N 1 0 264.354 0.414 10 0 CCAERO CCS(=O)(=O)c1ccc(N2CCN(C)C[C@@H]2C[NH3+])cc1 ZINC000124473884 284703187 /nfs/dbraw/zinc/70/31/87/284703187.db2.gz GBSRGTSNZUHNQW-ZDUSSCGKSA-N 1 0 297.424 0.559 10 0 CCAERO [NH3+][C@H]1CCN(c2ncc(I)cn2)C1 ZINC000126244454 284720461 /nfs/dbraw/zinc/72/04/61/284720461.db2.gz RCPCBAWGCRKRIT-ZETCQYMHSA-N 1 0 290.108 0.619 10 0 CCAERO C[NH+](C)[C@H]1CCN(C(=O)NC[C@@]2(C)CCCO2)C1 ZINC000133346229 284833940 /nfs/dbraw/zinc/83/39/40/284833940.db2.gz HHQZDFMXRZTSGQ-WCQYABFASA-N 1 0 255.362 0.901 10 0 CCAERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@H]1CNC(=O)C1 ZINC000194876291 284936784 /nfs/dbraw/zinc/93/67/84/284936784.db2.gz PRVSXXQDVMHQOU-ZIAGYGMSSA-N 1 0 289.379 0.412 10 0 CCAERO CN(C)C(=O)N1CCN(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000334941336 207328676 /nfs/dbraw/zinc/32/86/76/207328676.db2.gz PTKPFAGLDDGBMZ-NWDGAFQWSA-N 1 0 297.403 0.123 10 0 CCAERO COC(=O)N1CCC(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000237252903 284968386 /nfs/dbraw/zinc/96/83/86/284968386.db2.gz YMQZUBBKWUVUBF-VHSXEESVSA-N 1 0 269.345 0.461 10 0 CCAERO CC[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C)O2)CC[N@@H+]1C[C@H](C)O ZINC000246102692 285004203 /nfs/dbraw/zinc/00/42/03/285004203.db2.gz WQBMQVGKKVWOJW-DGAVXFQQSA-N 1 0 284.400 0.858 10 0 CCAERO CNC(=O)[C@H](NC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)C(C)C ZINC000246245937 285011708 /nfs/dbraw/zinc/01/17/08/285011708.db2.gz UPYMRSPPYFALIN-GMXVVIOVSA-N 1 0 296.415 0.681 10 0 CCAERO CC[C@H]1CN(Cc2cncn2C)CC[N@@H+]1C[C@H](C)O ZINC000246302686 285014372 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C[C@@H]1CCC[N@H+](CC(=O)NC(=O)NC(C)(C)C)[C@H]1CO ZINC000408424405 296386991 /nfs/dbraw/zinc/38/69/91/296386991.db2.gz FBWKYTBMEGDBNZ-MNOVXSKESA-N 1 0 285.388 0.704 10 0 CCAERO O=c1[nH]ncc(N2CC[N@@H+]3CCC[C@@H]3C2)c1Cl ZINC000171939343 285204352 /nfs/dbraw/zinc/20/43/52/285204352.db2.gz KVXRBABJJFLCLH-MRVPVSSYSA-N 1 0 254.721 0.708 10 0 CCAERO CCc1cc(CC)nc(N2CCC(O)(C[NH3+])CC2)n1 ZINC000397022719 285233731 /nfs/dbraw/zinc/23/37/31/285233731.db2.gz LWQQDCJBBAFRMI-UHFFFAOYSA-N 1 0 264.373 0.891 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)C(=O)NC(=O)NC ZINC000245481825 285275575 /nfs/dbraw/zinc/27/55/75/285275575.db2.gz YTDWXNNQMASGQC-MNOVXSKESA-N 1 0 270.377 0.247 10 0 CCAERO Cn1cc(C[C@@H]2[C@@H](O)CC[N@@H+]2CC2CCOCC2)cn1 ZINC000248107347 256691557 /nfs/dbraw/zinc/69/15/57/256691557.db2.gz GHJXKXUILXAWGU-CABCVRRESA-N 1 0 279.384 0.824 10 0 CCAERO CC(=O)N[C@@H]1CC[NH2+]C[C@@H]1c1nc(-c2cccnc2)no1 ZINC000096294902 256888562 /nfs/dbraw/zinc/88/85/62/256888562.db2.gz NSYJJULACRMKIZ-NWDGAFQWSA-N 1 0 287.323 0.713 10 0 CCAERO CN(C)c1noc(CN2CCC[C@@H](Cn3cncn3)C2)n1 ZINC000185262657 388796314 /nfs/dbraw/zinc/79/63/14/388796314.db2.gz ZTXVEROAPQIPFB-LLVKDONJSA-N 1 0 291.359 0.639 10 0 CCAERO Cc1cc(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)cc(=O)[nH]1 ZINC000285907142 388812264 /nfs/dbraw/zinc/81/22/64/388812264.db2.gz TVAGXBJVCQOLBA-OLZOCXBDSA-N 1 0 291.351 0.641 10 0 CCAERO COCCN1CCC[C@@](O)(C[NH+]2CCCC2)C1=O ZINC000012710197 388787421 /nfs/dbraw/zinc/78/74/21/388787421.db2.gz RCQNZZKWMGYKPF-CYBMUJFWSA-N 1 0 256.346 0.082 10 0 CCAERO CN1CCN(C(=O)c2nn(C)c3ccccc3c2=O)CC1 ZINC000040790065 388854498 /nfs/dbraw/zinc/85/44/98/388854498.db2.gz GZUAEPAVKJIHGI-UHFFFAOYSA-N 1 0 286.335 0.321 10 0 CCAERO C[C@@H]1CC[C@@H](C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)O1 ZINC000186912107 388859202 /nfs/dbraw/zinc/85/92/02/388859202.db2.gz MFYSNDZSELUTSK-XQQFMLRXSA-N 1 0 284.400 0.858 10 0 CCAERO CCOC(=O)N[C@H]1CCCN(C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000037820748 388849237 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CC[C@@H](C)[NH2+]CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000037386529 173169421 /nfs/dbraw/zinc/16/94/21/173169421.db2.gz FOLKBIHFXKFKEP-SECBINFHSA-N 1 0 285.369 0.661 10 0 CCAERO C[C@@H]1CCCCN1S(=O)(=O)c1cc[nH+]c(NN)c1 ZINC000038008882 287278704 /nfs/dbraw/zinc/27/87/04/287278704.db2.gz TWNLIZYHEPYPJM-SECBINFHSA-N 1 0 270.358 0.930 10 0 CCAERO CNC(=O)[C@@H](C)Oc1ccc(OC)cc1CC[NH3+] ZINC000037720079 173638377 /nfs/dbraw/zinc/63/83/77/173638377.db2.gz WLNVZLAXWHZZEI-SECBINFHSA-N 1 0 252.314 0.710 10 0 CCAERO CN(C)S(=O)(=O)N(C)Cc1ccccc1C[NH3+] ZINC000037757481 173682258 /nfs/dbraw/zinc/68/22/58/173682258.db2.gz YFIMYCOYZKFLGP-UHFFFAOYSA-N 1 0 257.359 0.384 10 0 CCAERO C[C@H]([NH3+])C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000037765877 173694509 /nfs/dbraw/zinc/69/45/09/173694509.db2.gz KAGCNIKTJFNRFI-LURJTMIESA-N 1 0 250.237 0.087 10 0 CCAERO CC[C@@H](CC(F)F)C[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000660520099 414374698 /nfs/dbraw/zinc/37/46/98/414374698.db2.gz DBKIMPFFGHLDCN-CABZTGNLSA-N 1 0 264.316 0.980 10 0 CCAERO CN(C)C(=O)CN(CC(F)(F)F)C(=O)CCC[NH3+] ZINC000037814853 173763027 /nfs/dbraw/zinc/76/30/27/173763027.db2.gz SAYGGKAFFZYYFQ-UHFFFAOYSA-N 1 0 269.267 0.204 10 0 CCAERO Cc1ccc(CN(C(=O)CNC(=O)C[NH3+])C(C)C)o1 ZINC000037817046 173767466 /nfs/dbraw/zinc/76/74/66/173767466.db2.gz APEIXTQHJIPJAT-UHFFFAOYSA-N 1 0 267.329 0.400 10 0 CCAERO Cc1noc(CNC(=O)[C@@H]2CCCN2C2CC[NH2+]CC2)n1 ZINC000038043371 174049611 /nfs/dbraw/zinc/04/96/11/174049611.db2.gz SWNBVFQZFCTDPI-LBPRGKRZSA-N 1 0 293.371 0.211 10 0 CCAERO CS(=O)(=O)CCC[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000038047721 174057517 /nfs/dbraw/zinc/05/75/17/174057517.db2.gz GMVYRKTUGDABFY-UHFFFAOYSA-N 1 0 294.380 0.996 10 0 CCAERO CC(C)CNC(=O)[C@H](C)[NH2+]CCCS(C)(=O)=O ZINC000038048094 174058634 /nfs/dbraw/zinc/05/86/34/174058634.db2.gz ADEFDNQOMGKRCS-JTQLQIEISA-N 1 0 264.391 0.171 10 0 CCAERO CC[C@H](C)NC(=O)[C@H](C)[NH2+]CCCS(C)(=O)=O ZINC000038048116 174058684 /nfs/dbraw/zinc/05/86/84/174058684.db2.gz MPJURQMMISIDTP-UWVGGRQHSA-N 1 0 264.391 0.314 10 0 CCAERO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]CCCS(C)(=O)=O ZINC000038048114 174059033 /nfs/dbraw/zinc/05/90/33/174059033.db2.gz MPJURQMMISIDTP-VHSXEESVSA-N 1 0 264.391 0.314 10 0 CCAERO [NH3+][C@H]1CCCC[C@@H]1NS(=O)(=O)CCc1ccccn1 ZINC000038050209 174061724 /nfs/dbraw/zinc/06/17/24/174061724.db2.gz UYZIOKDDMBBOQM-STQMWFEESA-N 1 0 283.397 0.813 10 0 CCAERO CCN(CC)C(=O)[C@@H](C)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000038084072 174094162 /nfs/dbraw/zinc/09/41/62/174094162.db2.gz CTTCEKCDAVXBKF-GHMZBOCLSA-N 1 0 276.402 0.268 10 0 CCAERO CC(C)(C)NC(=O)C[NH2+]C1CCC(C(N)=O)CC1 ZINC000038092054 174105726 /nfs/dbraw/zinc/10/57/26/174105726.db2.gz FSKNJQPIIVMLRC-UHFFFAOYSA-N 1 0 255.362 0.535 10 0 CCAERO O[C@H](C[NH2+]C[C@@H]1CCOC1)COC[C@@H]1CCCO1 ZINC000038094328 174108307 /nfs/dbraw/zinc/10/83/07/174108307.db2.gz XLFQQIYOGLWNNS-XQQFMLRXSA-N 1 0 259.346 0.169 10 0 CCAERO COC(=O)C[C@H]1CCCCN1C(=O)C[NH2+]CC1CC1 ZINC000038101973 174118460 /nfs/dbraw/zinc/11/84/60/174118460.db2.gz VCAQHYKFYNQJJW-GFCCVEGCSA-N 1 0 268.357 0.930 10 0 CCAERO O=C(N[C@@H]1C[C@H]2C[C@@H]1C[NH2+]2)c1ccc2c[nH+]cn2c1 ZINC000039073317 174162288 /nfs/dbraw/zinc/16/22/88/174162288.db2.gz IPEYRTUBKLROHF-NQBHXWOUSA-N 1 0 256.309 0.815 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1nnn(C(C)(C)C)n1 ZINC000662560713 414728672 /nfs/dbraw/zinc/72/86/72/414728672.db2.gz GSAZVSMFMLCYIO-DTWKUNHWSA-N 1 0 266.349 0.298 10 0 CCAERO COc1cccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c1C ZINC000662562275 414728743 /nfs/dbraw/zinc/72/87/43/414728743.db2.gz IDYYDPVZLIXTPZ-ZYHUDNBSSA-N 1 0 264.325 0.314 10 0 CCAERO CN1C[C@@H](CNC(=O)CC[C@H]2CCC[NH2+]2)CC1=O ZINC000662692823 414742182 /nfs/dbraw/zinc/74/21/82/414742182.db2.gz GSBSPSXMVZEPBN-GHMZBOCLSA-N 1 0 253.346 0.113 10 0 CCAERO COC[C@]1(C(=O)N2CCC[C@@H](OC)CC2)CCC[NH2+]1 ZINC000662835329 414826743 /nfs/dbraw/zinc/82/67/43/414826743.db2.gz MHWUBVYMXGXXIE-OCCSQVGLSA-N 1 0 270.373 0.783 10 0 CCAERO O=C([C@H]1CNC(=O)C1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662843293 414836222 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COc1ccc(F)c(CNC[C@@]2(O)CC[NH2+]C2)c1F ZINC000077505841 177275962 /nfs/dbraw/zinc/27/59/62/177275962.db2.gz IDHWWEITKCQXPE-CYBMUJFWSA-N 1 0 272.295 0.787 10 0 CCAERO C[NH2+][C@H]1CCC[C@H](n2cc(S(C)(=O)=O)cn2)C1 ZINC000725252527 545876775 /nfs/dbraw/zinc/87/67/75/545876775.db2.gz MUBRADVELKYOOU-UWVGGRQHSA-N 1 0 257.359 0.990 10 0 CCAERO CS(=O)(=O)c1cnn(CC[C@H]2CCC[NH2+]C2)c1 ZINC000725252983 545878021 /nfs/dbraw/zinc/87/80/21/545878021.db2.gz QIYAPVGBZHJCMD-SNVBAGLBSA-N 1 0 257.359 0.676 10 0 CCAERO C[C@H]([NH3+])[C@@H](c1cccnc1)n1cc(S(C)(=O)=O)cn1 ZINC000725252889 545878068 /nfs/dbraw/zinc/87/80/68/545878068.db2.gz PJXVNJZZKCWZLP-CABZTGNLSA-N 1 0 280.353 0.618 10 0 CCAERO CS(=O)(=O)c1cnn([C@@H](C[NH3+])c2ccc(F)cc2)c1 ZINC000725252191 545877078 /nfs/dbraw/zinc/87/70/78/545877078.db2.gz KGUDTBAKIYFTKJ-LBPRGKRZSA-N 1 0 283.328 0.974 10 0 CCAERO CC(C)C[NH2+]CC[C@@H](CO)[C@H]1CCS(=O)(=O)C1 ZINC000725267454 545886961 /nfs/dbraw/zinc/88/69/61/545886961.db2.gz IEHYQUQDSJYAQM-RYUDHWBXSA-N 1 0 263.403 0.665 10 0 CCAERO CCCCS(=O)(=O)N1C[C@H](C)OC2(CC[NH2+]CC2)C1 ZINC000725271341 545888626 /nfs/dbraw/zinc/88/86/26/545888626.db2.gz DHCFXIUWOAWZKB-LBPRGKRZSA-N 1 0 290.429 0.959 10 0 CCAERO O=S1(=O)CCC[C@@H]([NH2+][C@@H]2CCCCC[C@H]2O)C1 ZINC000069143918 544449394 /nfs/dbraw/zinc/44/93/94/544449394.db2.gz LYIIVULRVZQPPK-IJLUTSLNSA-N 1 0 261.387 0.847 10 0 CCAERO COC(=O)c1ccc(C[NH2+]C[C@H]2CCC(=O)N2)cc1 ZINC000070210740 544450515 /nfs/dbraw/zinc/45/05/15/544450515.db2.gz JQGDNYNINANEAI-GFCCVEGCSA-N 1 0 262.309 0.841 10 0 CCAERO COC[C@H](O)C[NH2+][C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000071269448 544451580 /nfs/dbraw/zinc/45/15/80/544451580.db2.gz JKLWOMYRBYXRSO-ZYHUDNBSSA-N 1 0 285.365 0.502 10 0 CCAERO O=C(COC1CC[NH2+]CC1)NC[C@@H]1CCCC[C@@H]1O ZINC000085986687 544495720 /nfs/dbraw/zinc/49/57/20/544495720.db2.gz JRCUNPFDVXVSCW-AAEUAGOBSA-N 1 0 270.373 0.422 10 0 CCAERO C[C@@H](C[C@](C)([NH3+])C(N)=O)n1cc(Br)cn1 ZINC000082800539 544487279 /nfs/dbraw/zinc/48/72/79/544487279.db2.gz BDUCMSAAJAYTCB-RCOVLWMOSA-N 1 0 275.150 0.799 10 0 CCAERO CO[C@@H]1C[NH2+][C@H](C(=O)N(C)CCC(F)(F)F)C1 ZINC000088420608 544507495 /nfs/dbraw/zinc/50/74/95/544507495.db2.gz MKUZWLCIHGJQNC-YUMQZZPRSA-N 1 0 254.252 0.774 10 0 CCAERO Cc1cc(CS(=O)(=O)N[C@@H]2CCC[C@@H]2C[NH3+])no1 ZINC000089091743 544511257 /nfs/dbraw/zinc/51/12/57/544511257.db2.gz NBLZBRDQEXYVSB-MWLCHTKSSA-N 1 0 273.358 0.530 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCC(NC(=O)C2CC2)CC1 ZINC000089456803 544513063 /nfs/dbraw/zinc/51/30/63/544513063.db2.gz WDJLRIGAVDNEEN-GXTWGEPZSA-N 1 0 293.411 0.879 10 0 CCAERO CC(C)NC(=O)CN(C)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089455519 544513465 /nfs/dbraw/zinc/51/34/65/544513465.db2.gz WDWFRJMCXVOQIX-MNOVXSKESA-N 1 0 255.362 0.344 10 0 CCAERO [NH3+]CCc1nc(C(=O)N[C@@H]2CCC[C@@H](O)C2)cs1 ZINC000090947675 544525120 /nfs/dbraw/zinc/52/51/20/544525120.db2.gz MMUAKPLFIUFBKQ-RKDXNWHRSA-N 1 0 269.370 0.678 10 0 CCAERO C[C@H](NC(=O)[C@H]1CCC[C@@H]1C[NH3+])C(=O)NC(C)(C)C ZINC000135363941 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ATEUFLDIFJFTMY-WPRPVWTQSA-N 1 0 283.397 0.751 10 0 CCAERO Cc1ccc(CC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)s1 ZINC000262057432 544938273 /nfs/dbraw/zinc/93/82/73/544938273.db2.gz APWHUVFHYQYWBZ-KOLCDFICSA-N 1 0 254.355 0.296 10 0 CCAERO COCCOc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262084491 544938912 /nfs/dbraw/zinc/93/89/12/544938912.db2.gz CQEYBSIQWRAFKC-OCCSQVGLSA-N 1 0 294.351 0.022 10 0 CCAERO COc1ccc(CCC(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262094525 544938938 /nfs/dbraw/zinc/93/89/38/544938938.db2.gz DGCXWKLTBIYEBN-TZMCWYRMSA-N 1 0 278.352 0.324 10 0 CCAERO Cc1nc2ccccn2c1CNC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262093651 544938986 /nfs/dbraw/zinc/93/89/86/544938986.db2.gz HIMGVKNCCNMMAM-YPMHNXCESA-N 1 0 260.341 0.313 10 0 CCAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1ccccc1N1CCOCC1 ZINC000262098291 544939348 /nfs/dbraw/zinc/93/93/48/544939348.db2.gz IJGDZRNXYICHNA-HOCLYGCPSA-N 1 0 291.395 0.193 10 0 CCAERO O[C@H]1C[NH2+]C[C@@H]1CNCc1cccc(OC(F)F)c1 ZINC000262117641 544940389 /nfs/dbraw/zinc/94/03/89/544940389.db2.gz LLNVHELHCQLQFG-JQWIXIFHSA-N 1 0 272.295 0.958 10 0 CCAERO COc1cccc(SCC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262150438 544942067 /nfs/dbraw/zinc/94/20/67/544942067.db2.gz HRHRBUXBSCYXNE-GWCFXTLKSA-N 1 0 296.392 0.484 10 0 CCAERO C[C@@H]1SCC[C@H]1NC(=O)C1(C[NH3+])CCOCC1 ZINC000310387035 545010877 /nfs/dbraw/zinc/01/08/77/545010877.db2.gz FACRYQRFRZTOPB-VHSXEESVSA-N 1 0 258.387 0.752 10 0 CCAERO CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCN(C(C)=O)C2)C1 ZINC000332700885 545031879 /nfs/dbraw/zinc/03/18/79/545031879.db2.gz BJQQPECGXIJYCW-KBPBESRZSA-N 1 0 296.415 0.638 10 0 CCAERO O=C(NC1CC[NH+](C2CC2)CC1)[C@@H]1OC[C@H]2COCC[C@@H]21 ZINC000332866718 545035761 /nfs/dbraw/zinc/03/57/61/545035761.db2.gz ILUCIDHPRUCUKE-BYCMXARLSA-N 1 0 294.395 0.781 10 0 CCAERO CO[C@@H]1C[C@H](NC(=O)NC[C@H]2CC[NH2+]C2)C1(C)C ZINC000333127956 545038815 /nfs/dbraw/zinc/03/88/15/545038815.db2.gz BIIMWQVPUYEVSZ-GARJFASQSA-N 1 0 255.362 0.709 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CCNC[C@@](C)(F)C1 ZINC000333481118 545039769 /nfs/dbraw/zinc/03/97/69/545039769.db2.gz CCFLEOLBASJLEY-DMDPSCGWSA-N 1 0 272.368 0.470 10 0 CCAERO CCN(CC)S(=O)(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000060510962 260231155 /nfs/dbraw/zinc/23/11/55/260231155.db2.gz RXWPRCVJLKBOSC-LLVKDONJSA-N 1 0 263.407 0.647 10 0 CCAERO O=C(N[C@H]1C[C@H]2C[NH2+][C@@H]1C2)c1cc2nccn2cn1 ZINC000168966250 274995800 /nfs/dbraw/zinc/99/58/00/274995800.db2.gz CTTRNNAFSGWWIK-AEJSXWLSSA-N 1 0 257.297 0.210 10 0 CCAERO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCc2c1cccc2Cl ZINC000262489326 275006646 /nfs/dbraw/zinc/00/66/46/275006646.db2.gz JAODQJBDTSQOOM-KCJUWKMLSA-N 1 0 266.728 0.952 10 0 CCAERO CC1CCC(O)(C[NH+]2CCC([C@H](O)C(N)=O)CC2)CC1 ZINC000299748787 276191498 /nfs/dbraw/zinc/19/14/98/276191498.db2.gz IEABSJNWLVJYIZ-QRJNDHJOSA-N 1 0 284.400 0.486 10 0 CCAERO CC[N@H+](C)CCNS(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000408155801 276305972 /nfs/dbraw/zinc/30/59/72/276305972.db2.gz 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10 0 CCAERO O=C(C[NH2+][C@H]1CCc2c1cccc2O)N1CCOCC1 ZINC000296586506 534596444 /nfs/dbraw/zinc/59/64/44/534596444.db2.gz FEFXWSPSMNTQRJ-ZDUSSCGKSA-N 1 0 276.336 0.828 10 0 CCAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)C1 ZINC000341442778 522055877 /nfs/dbraw/zinc/05/58/77/522055877.db2.gz ROVNIOVTAYOIBJ-MROQNXINSA-N 1 0 296.415 0.812 10 0 CCAERO CC[C@@H](C)[NH+]1CCN(C[C@H]([NH2+]C2CC2)C(=O)[O-])CC1 ZINC000055070399 522123636 /nfs/dbraw/zinc/12/36/36/522123636.db2.gz CGSNXJQKVRLPJW-YPMHNXCESA-N 1 0 269.389 0.608 10 0 CCAERO CCc1nc([C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)CCO2)n[nH]1 ZINC000164074620 522137185 /nfs/dbraw/zinc/13/71/85/522137185.db2.gz SQHBRBWIKUIUMA-MNOVXSKESA-N 1 0 295.387 0.607 10 0 CCAERO COC[C@@H]([NH3+])C(=O)NC[C@@H](OC)c1ccc(F)cc1 ZINC000262345061 522314177 /nfs/dbraw/zinc/31/41/77/522314177.db2.gz TXFKLKVPBRTPKM-VXGBXAGGSA-N 1 0 270.304 0.603 10 0 CCAERO COC1CCN(S(=O)(=O)C[C@@H]2CCCC[NH2+]2)CC1 ZINC000049631060 522708154 /nfs/dbraw/zinc/70/81/54/522708154.db2.gz GEGNXUJIBDKXIO-NSHDSACASA-N 1 0 276.402 0.569 10 0 CCAERO C[N@H+](CC[C@@H](NC1CC1)C(N)=O)C1CCOCC1 ZINC000062450501 522927828 /nfs/dbraw/zinc/92/78/28/522927828.db2.gz DKSDHVAYIBHLHF-GFCCVEGCSA-N 1 0 255.362 0.093 10 0 CCAERO CC[C@H]1CN(CCn2ccnc2)CC[N@@H+]1CCOC ZINC000161678030 523279442 /nfs/dbraw/zinc/27/94/42/523279442.db2.gz NBEFEADGVKBFAV-AWEZNQCLSA-N 1 0 266.389 0.926 10 0 CCAERO CN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000058233701 523628950 /nfs/dbraw/zinc/62/89/50/523628950.db2.gz XTDDQZDEIWUBME-JTQLQIEISA-N 1 0 295.364 0.164 10 0 CCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)NCCCn2nc(C)cc2C)C1 ZINC000158523788 523740968 /nfs/dbraw/zinc/74/09/68/523740968.db2.gz CXFPGRXBLKJDPS-QWHCGFSZSA-N 1 0 280.372 0.383 10 0 CCAERO COCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CCCO ZINC000052762979 523914908 /nfs/dbraw/zinc/91/49/08/523914908.db2.gz ICLBFKAJLBGNOR-NWDGAFQWSA-N 1 0 258.362 0.374 10 0 CCAERO COCC[NH2+]Cc1cc(OC)ccc1OCCO ZINC000062727700 523949986 /nfs/dbraw/zinc/94/99/86/523949986.db2.gz CCQGGFHHXZZXQD-UHFFFAOYSA-N 1 0 255.314 0.802 10 0 CCAERO COCCOCCCCNC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000156921411 523990757 /nfs/dbraw/zinc/99/07/57/523990757.db2.gz KRCHZSFKDMUZNT-NWDGAFQWSA-N 1 0 258.362 0.673 10 0 CCAERO C[NH+](C)CC(C)(C)CNC(=O)c1ccc(NN)nn1 ZINC000051089791 524046248 /nfs/dbraw/zinc/04/62/48/524046248.db2.gz ZIZXLGNGIJQABJ-UHFFFAOYSA-N 1 0 266.349 0.080 10 0 CCAERO CNC(=O)[C@@H]1CCCN1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000155386493 524082223 /nfs/dbraw/zinc/08/22/23/524082223.db2.gz YFZKIAHUCWWDEX-ZDUSSCGKSA-N 1 0 294.399 0.533 10 0 CCAERO CNC(=O)[C@H]1CCCC[N@@H+]1CCn1cc(N)cn1 ZINC000050614837 524111591 /nfs/dbraw/zinc/11/15/91/524111591.db2.gz CXTXGJBSVPJDPB-LLVKDONJSA-N 1 0 251.334 0.066 10 0 CCAERO C[C@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)N1CCNC(=O)CC1 ZINC000062098687 524144707 /nfs/dbraw/zinc/14/47/07/524144707.db2.gz WDADYYXAPOPZLR-HOSYDEDBSA-N 1 0 253.346 0.098 10 0 CCAERO C[C@H](CC[NH3+])N(C)C(=O)c1ccc(S(C)(=O)=O)cc1 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1 0 289.335 0.707 10 0 CCAERO CC(C)n1nnnc1CN1CCC([NH+](C)C)CC1 ZINC000195431147 528699058 /nfs/dbraw/zinc/69/90/58/528699058.db2.gz LCCPAGGDMQMJJH-UHFFFAOYSA-N 1 0 252.366 0.780 10 0 CCAERO CC[C@]1(CNS(=O)(=O)C(C)C)C[NH2+]CCO1 ZINC000675058908 545320663 /nfs/dbraw/zinc/32/06/63/545320663.db2.gz BNLGYFHMASOJIZ-SNVBAGLBSA-N 1 0 250.364 0.083 10 0 CCAERO CC1(C(=O)NC[C@]23C[NH2+]C[C@H]2S(=O)(=O)CCC3)CC1 ZINC000675072717 545321108 /nfs/dbraw/zinc/32/11/08/545321108.db2.gz GMXMYBYFJFSKFN-MFKMUULPSA-N 1 0 286.397 0.070 10 0 CCAERO CCC[C@@](C)(NC(=O)[C@H](C)C1C[NH2+]C1)C(=O)OC ZINC000262014313 535531331 /nfs/dbraw/zinc/53/13/31/535531331.db2.gz CHJXJVFIZGNWOE-NOZJJQNGSA-N 1 0 256.346 0.690 10 0 CCAERO CCN(CC)c1ncc(CNC[C@H]2C[NH2+]C[C@@H]2O)s1 ZINC000263281864 535692839 /nfs/dbraw/zinc/69/28/39/535692839.db2.gz UKUPPGDVCNCVKT-JQWIXIFHSA-N 1 0 284.429 0.659 10 0 CCAERO CCN(C)C(=O)CC[N@@H+]1C[C@@H](OC)C[C@H]1COC ZINC000344384464 535709487 /nfs/dbraw/zinc/70/94/87/535709487.db2.gz 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/nfs/dbraw/zinc/68/72/58/571687258.db2.gz ATIPDCIQTUXABX-NXEZZACHSA-N 1 0 259.350 0.058 10 0 endogenous,in-man CCAERO C[C@@H]1CC[C@H](C(=O)N[C@H](CC[NH3+])C(F)(F)F)O1 ZINC000307765772 581146583 /nfs/dbraw/zinc/14/65/83/581146583.db2.gz CASHHUIJAZNRJC-BWZBUEFSSA-N 1 0 254.252 0.950 10 0 CCAERO COC(=O)c1cc(-c2cnnn2C)c(F)cc1C[NH3+] ZINC000757565790 581694033 /nfs/dbraw/zinc/69/40/33/581694033.db2.gz IPKGTSHHTJRYOR-UHFFFAOYSA-N 1 0 264.260 0.867 10 0 CCAERO Nc1[nH]c(N2CC[NH2+]CC2)nc(=O)c1-c1ccccn1 ZINC000757180269 581697529 /nfs/dbraw/zinc/69/75/29/581697529.db2.gz YVCNAXJWCXTPJQ-UHFFFAOYSA-N 1 0 272.312 0.236 10 0 CCAERO COC(=O)[C@H](C[NH3+])C1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000757191479 581697913 /nfs/dbraw/zinc/69/79/13/581697913.db2.gz HVQWGTITZLEGEH-FWKUWYBHSA-N 1 0 261.343 0.090 10 0 CCAERO CC(C)[C@@H](CNC(=O)n1ccnc1)[NH+]1CCN(C)CC1 ZINC000123534023 614096997 /nfs/dbraw/zinc/09/69/97/614096997.db2.gz BRVJLASXJOSQSY-CYBMUJFWSA-N 1 0 279.388 0.713 10 0 CCAERO 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WFQAQAPWVIUGIB-UTUOFQBUSA-N 1 0 276.402 0.520 10 0 CCAERO CO[C@@H]1CN(Cc2cc(C)nn2C)C[C@H]1c1cn(C)nn1 ZINC000888078231 616775936 /nfs/dbraw/zinc/77/59/36/616775936.db2.gz BSCYWBQHEKZBIZ-GXTWGEPZSA-N 1 0 290.371 0.471 10 0 CCAERO O=C1NCC[C@H]1CC[N@@H+]1CC[C@@H](n2cc(C3CC3)nn2)C1 ZINC000931120692 625478029 /nfs/dbraw/zinc/47/80/29/625478029.db2.gz IGEBCWUCFPXZCZ-QWHCGFSZSA-N 1 0 289.383 0.929 10 0 CCAERO C[C@H]([NH3+])CN(C)c1cnn(C)c(=O)c1Br ZINC000309031624 623158602 /nfs/dbraw/zinc/15/86/02/623158602.db2.gz BZSBJUBBLDERGY-LURJTMIESA-N 1 0 275.150 0.326 10 0 CCAERO COCC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000052792414 623485668 /nfs/dbraw/zinc/48/56/68/623485668.db2.gz ULWSHBYWILXXSE-ZYHUDNBSSA-N 1 0 294.351 0.999 10 0 CCAERO O=C(NC[C@H](O)C(F)(F)F)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000236537334 623529391 /nfs/dbraw/zinc/52/93/91/623529391.db2.gz QESBNQDOVBLDFS-CAHLUQPWSA-N 1 0 294.195 0.568 10 0 CCAERO Cc1nn(C[C@@H]([NH3+])C(N)=O)c(C)c1Br ZINC000050594916 624818890 /nfs/dbraw/zinc/81/88/90/624818890.db2.gz RFACJYCIHPXXLY-ZCFIWIBFSA-N 1 0 261.123 0.075 10 0 CCAERO C[C@@](O)(C[N@@H+]1CCC[C@](O)(CO)C1)c1ccccc1 ZINC000313644233 625865833 /nfs/dbraw/zinc/86/58/33/625865833.db2.gz TXAIUXMQMYZLJL-HUUCEWRRSA-N 1 0 265.353 0.713 10 0 CCAERO CCN1CCO[C@H](CNC(=O)c2cncc(Cl)n2)C1 ZINC000233516429 631399433 /nfs/dbraw/zinc/39/94/33/631399433.db2.gz CZKIXSDNDYSLKD-SECBINFHSA-N 1 0 284.747 0.581 10 0 CCAERO COC(=O)N[C@@H](C(=O)NC[C@@H]1CCC[NH2+]1)C(C)C ZINC000178722124 631531510 /nfs/dbraw/zinc/53/15/10/631531510.db2.gz GEBKYBNRTZEOKN-VHSXEESVSA-N 1 0 257.334 0.235 10 0 CCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCS(=O)(=O)C(C)(C)C ZINC000237069607 631574897 /nfs/dbraw/zinc/57/48/97/631574897.db2.gz VRFMQENZSVGHKB-VHSXEESVSA-N 1 0 278.418 0.689 10 0 CCAERO O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CCSC2(CCCCC2)C1 ZINC000262489183 632442764 /nfs/dbraw/zinc/44/27/64/632442764.db2.gz IYQUJOYNNRHZGR-NEPJUHHUSA-N 1 0 284.425 0.988 10 0 CCAERO O=C(N[C@H](CO)c1cccnc1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000910961425 635859857 /nfs/dbraw/zinc/85/98/57/635859857.db2.gz SGDHXWATWOESTL-MCIONIFRSA-N 1 0 291.351 0.094 10 0 CCAERO O=C(CCc1cn[nH]c1)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1 ZINC000911418524 636248890 /nfs/dbraw/zinc/24/88/90/636248890.db2.gz NQRMBGHMPSYQHL-MJBXVCDLSA-N 1 0 292.383 0.446 10 0 CCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)NCCC1N=NC(=S)N1C ZINC000156345156 636855669 /nfs/dbraw/zinc/85/56/69/636855669.db2.gz SLLOCZZQMYNOHT-IONNQARKSA-N 1 0 271.390 0.136 10 0 CCAERO O=C(c1cnccn1)N(C(=O)[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000223181719 636895577 /nfs/dbraw/zinc/89/55/77/636895577.db2.gz DCTMNMMTEKVHEO-SNVBAGLBSA-N 1 0 274.324 0.607 10 0 CCAERO CCCCOC[C@@H](O)C[NH2+]CCc1ccnn1C ZINC000227897697 637038542 /nfs/dbraw/zinc/03/85/42/637038542.db2.gz BSZRQAIQGKXXSR-ZDUSSCGKSA-N 1 0 255.362 0.730 10 0 CCAERO CCCCOC[C@H](O)C[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000227894124 637039441 /nfs/dbraw/zinc/03/94/41/637039441.db2.gz KWAZSAQKACYAEY-RBSFLKMASA-N 1 0 286.416 0.617 10 0 CCAERO CC[C@H](C)NC(=O)C[N@H+]1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000228699253 637069786 /nfs/dbraw/zinc/06/97/86/637069786.db2.gz SMTUMYHLOFZADG-VWYCJHECSA-N 1 0 256.346 0.642 10 0 CCAERO CC[NH2+]C[C@H](C)C(=O)N[C@H](C)C(=O)NCC(C)C ZINC000229076044 637097381 /nfs/dbraw/zinc/09/73/81/637097381.db2.gz AAGFINQVJYNSCI-WDEREUQCSA-N 1 0 257.378 0.509 10 0 CCAERO CS[C@H]1CC[C@H](NC(=O)C2([NH3+])CCOCC2)C1 ZINC000229217274 637103497 /nfs/dbraw/zinc/10/34/97/637103497.db2.gz CYTCDTHISUDMCB-UWVGGRQHSA-N 1 0 258.387 0.895 10 0 CCAERO CCOC(=O)[C@@H]([NH3+])CCn1cc(Br)cn1 ZINC000062536399 637173323 /nfs/dbraw/zinc/17/33/23/637173323.db2.gz WTOLGFSZNGROHS-QMMMGPOBSA-N 1 0 276.134 0.926 10 0 CCAERO CCCS(=O)(=O)CCN(C)[C@@H]1CCC[NH2+]CC1 ZINC000231670984 637226440 /nfs/dbraw/zinc/22/64/40/637226440.db2.gz KNFRZEHOGLGUQI-GFCCVEGCSA-N 1 0 262.419 0.885 10 0 CCAERO Cc1cnc([C@@H](C)NS(=O)(=O)CC2CC[NH2+]CC2)o1 ZINC000231749531 637227555 /nfs/dbraw/zinc/22/75/55/637227555.db2.gz DKEHGPJIXKMAAR-SNVBAGLBSA-N 1 0 287.385 0.963 10 0 CCAERO CCNS(=O)(=O)CC[NH2+]CCc1ccccc1 ZINC000232008310 637239752 /nfs/dbraw/zinc/23/97/52/637239752.db2.gz GHNOYODKBRFACX-UHFFFAOYSA-N 1 0 256.371 0.758 10 0 CCAERO CC1(C)C(=O)NCCN1C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089462452 637715476 /nfs/dbraw/zinc/71/54/76/637715476.db2.gz PPUMDWMEKWLVLO-VHSXEESVSA-N 1 0 253.346 0.098 10 0 CCAERO C[C@H]1C[C@@]([NH3+])(CC(N)=O)CN1C(=O)OC(C)(C)C ZINC000211671607 647325206 /nfs/dbraw/zinc/32/52/06/647325206.db2.gz MJMGJKCRSBOCAH-QPUJVOFHSA-N 1 0 257.334 0.589 10 0 CCAERO C[C@H]1CC[C@@]([NH3+])(CC(N)=O)CN1C(=O)OC(C)(C)C ZINC000211722588 647329659 /nfs/dbraw/zinc/32/96/59/647329659.db2.gz SOMWTRBDMPXEEM-TVQRCGJNSA-N 1 0 271.361 0.979 10 0 CCAERO Cn1cc(/C=C/C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000129514076 647381862 /nfs/dbraw/zinc/38/18/62/647381862.db2.gz JYMFYXHQHGPQHU-WMHMDKLASA-N 1 0 260.341 0.833 10 0 CCAERO O=S(=O)(/C=C/c1ccccc1)NC[C@H]1C[NH2+]CCO1 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296.411 0.909 10 0 CCAERO O=C(Nc1nnc([C@H]2CCC[NH2+]2)o1)C(F)(F)F ZINC000224875591 351999318 /nfs/dbraw/zinc/99/93/18/351999318.db2.gz QXHGERFHCWUVKS-SCSAIBSYSA-N 1 0 250.180 0.995 10 0 CCAERO CCCCOC[C@@H](O)C[NH2+]C[C@H]1CCCS1(=O)=O ZINC000227894681 352061507 /nfs/dbraw/zinc/06/15/07/352061507.db2.gz DRVFCUZCZXYNON-NWDGAFQWSA-N 1 0 279.402 0.331 10 0 CCAERO CCN(CCC[NH2+][C@@H]1CCCC[C@H]1O)S(C)(=O)=O ZINC000226226675 352020439 /nfs/dbraw/zinc/02/04/39/352020439.db2.gz GHNKUZVJEWMNDX-VXGBXAGGSA-N 1 0 278.418 0.551 10 0 CCAERO COCCCCCNC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000226327333 352023025 /nfs/dbraw/zinc/02/30/25/352023025.db2.gz NTVDIHGFTDHDTF-UHFFFAOYSA-N 1 0 271.405 0.603 10 0 CCAERO CN([C@H]1CCC[NH2+]CC1)S(=O)(=O)c1cncc(F)c1 ZINC000226463025 352027679 /nfs/dbraw/zinc/02/76/79/352027679.db2.gz OEBJUPXVEDYNIB-NSHDSACASA-N 1 0 287.360 0.983 10 0 CCAERO Cc1n[nH]c(C)c1S(=O)(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000226463376 352027780 /nfs/dbraw/zinc/02/77/80/352027780.db2.gz 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QMVBWZWJFLNTTA-ZJUUUORDSA-N 1 0 266.366 0.953 10 0 CCAERO CCN(CC)C(=O)[C@@H](C)[NH2+]CCCN1CCOCC1 ZINC000037389710 173172875 /nfs/dbraw/zinc/17/28/75/173172875.db2.gz IYGFRJIFTIGVSR-CYBMUJFWSA-N 1 0 271.405 0.555 10 0 CCAERO CCCCNC(=O)N(CC(N)=O)C1CC[NH2+]CC1 ZINC000037542720 173263912 /nfs/dbraw/zinc/26/39/12/173263912.db2.gz ZREXTLMHPDQFNS-UHFFFAOYSA-N 1 0 256.350 0.035 10 0 CCAERO Cc1nn([C@]2(C)CCS(=O)(=O)C2)c(C)c1C[NH3+] ZINC000037760831 173688252 /nfs/dbraw/zinc/68/82/52/173688252.db2.gz SSNHOQQXISIEBC-LLVKDONJSA-N 1 0 257.359 0.492 10 0 CCAERO COCCN(C(=O)C1CC[NH2+]CC1)[C@H]1CCSC1 ZINC000037810436 173754206 /nfs/dbraw/zinc/75/42/06/173754206.db2.gz LQBIVQXEWGBUFQ-LBPRGKRZSA-N 1 0 272.414 0.967 10 0 CCAERO C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)C1CCC([NH3+])CC1 ZINC000037821632 173775426 /nfs/dbraw/zinc/77/54/26/173775426.db2.gz ORLNVXYGFQNOAO-UZEXVOJHSA-N 1 0 267.373 0.616 10 0 CCAERO C[C@H](c1cccc(O)c1)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000038030938 174023283 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ZINC000038101827 174118112 /nfs/dbraw/zinc/11/81/12/174118112.db2.gz LFNBWCNNFCZYQG-UHFFFAOYSA-N 1 0 271.361 0.806 10 0 CCAERO COCCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750393 174394693 /nfs/dbraw/zinc/39/46/93/174394693.db2.gz UMYKJIFOLZDDKG-WAAKLRNESA-N 1 0 255.362 0.092 10 0 CCAERO C[NH2+][C@@H](C)CNC(=O)c1nn(C)cc1Br ZINC000662776389 414783594 /nfs/dbraw/zinc/78/35/94/414783594.db2.gz KUKDNFLNRCDRQM-LURJTMIESA-N 1 0 275.150 0.520 10 0 CCAERO CN1CCO[C@H](CNC(=O)c2cccc3c2C[NH2+]C3)C1 ZINC000662425912 414717220 /nfs/dbraw/zinc/71/72/20/414717220.db2.gz KVXLHZDPRXHHOE-GFCCVEGCSA-N 1 0 275.352 0.350 10 0 CCAERO C[C@H](C(=O)N[C@@H]1CCNC1=O)[C@H]([NH3+])c1ccccc1 ZINC000662586033 414730460 /nfs/dbraw/zinc/73/04/60/414730460.db2.gz DINVRTUMDSRSGA-WCQGTBRESA-N 1 0 261.325 0.327 10 0 CCAERO CN1C[C@H](CNC(=O)c2cccc3c2C[NH2+]C3)CC1=O ZINC000662691732 414741659 /nfs/dbraw/zinc/74/16/59/414741659.db2.gz AIGWVVRDNTYXBU-JTQLQIEISA-N 1 0 273.336 0.498 10 0 CCAERO C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H]1CC(=O)N(C)C1 ZINC000662695385 414742495 /nfs/dbraw/zinc/74/24/95/414742495.db2.gz KVLSABFNMWCNEY-QWRGUYRKSA-N 1 0 269.389 0.605 10 0 CCAERO [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[C@H]3COC[C@H]3C2)C1 ZINC000662710759 414744965 /nfs/dbraw/zinc/74/49/65/414744965.db2.gz JITKOTDPCJKBII-WUHRBBMRSA-N 1 0 252.358 0.999 10 0 CCAERO COCCC1(C(=O)N[C@H](CO)C(C)C)CC[NH2+]CC1 ZINC000662832933 414824872 /nfs/dbraw/zinc/82/48/72/414824872.db2.gz KQTOQMUAGJSLOG-GFCCVEGCSA-N 1 0 272.389 0.526 10 0 CCAERO COC[C@@]1(C(=O)Nc2nn(C)cc2C)CCC[NH2+]1 ZINC000662969953 414922931 /nfs/dbraw/zinc/92/29/31/414922931.db2.gz BOGOJLNIYLWVPC-GFCCVEGCSA-N 1 0 252.318 0.436 10 0 CCAERO CN(C(=O)CCn1ccnc1)[C@@H](C[NH3+])C(F)(F)F ZINC000662980641 414931162 /nfs/dbraw/zinc/93/11/62/414931162.db2.gz JQSGWSCJUMINDQ-QMMMGPOBSA-N 1 0 264.251 0.621 10 0 CCAERO C[C@@H]1CN(C(=O)[C@@H]2CC[NH2+]C2)C[C@](C)(C(F)F)O1 ZINC000663001411 414941618 /nfs/dbraw/zinc/94/16/18/414941618.db2.gz TUJFREWCRFDBIJ-KBVBSXBZSA-N 1 0 262.300 0.867 10 0 CCAERO CCNC(=O)CN(CC)C(=O)C[C@@H]1CCCC[NH2+]1 ZINC000042370783 174701556 /nfs/dbraw/zinc/70/15/56/174701556.db2.gz WLJOAAYDHONHOM-NSHDSACASA-N 1 0 255.362 0.503 10 0 CCAERO CCO[C@@H]1CCCN(C2(C[NH3+])CCS(=O)(=O)CC2)C1 ZINC000042421552 174720267 /nfs/dbraw/zinc/72/02/67/174720267.db2.gz VCCQETZUYRGQCB-GFCCVEGCSA-N 1 0 290.429 0.393 10 0 CCAERO CCNC(=O)c1cc(N(C)C[C@@H](C)C[NH3+])ccn1 ZINC000042455712 174747449 /nfs/dbraw/zinc/74/74/49/174747449.db2.gz PPJANAXETJUQEG-JTQLQIEISA-N 1 0 250.346 0.862 10 0 CCAERO CC(C)N(CCO)S(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000042481178 174757869 /nfs/dbraw/zinc/75/78/69/174757869.db2.gz OEIOKNAYMNBISV-NSHDSACASA-N 1 0 264.391 0.161 10 0 CCAERO CC(C)N(CCO)S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000042481162 174757944 /nfs/dbraw/zinc/75/79/44/174757944.db2.gz JWZIBHMSBBOXPO-UHFFFAOYSA-N 1 0 292.426 0.641 10 0 CCAERO CCC(CC)N(CCO)S(=O)(=O)CCCC[NH3+] ZINC000042514363 174766264 /nfs/dbraw/zinc/76/62/64/174766264.db2.gz GFYSGMRAEXDFFI-UHFFFAOYSA-N 1 0 266.407 0.538 10 0 CCAERO COC(=O)CCS(=O)(=O)NCC1([NH3+])CCCCC1 ZINC000042536487 174784004 /nfs/dbraw/zinc/78/40/04/174784004.db2.gz UWXULVPEQKWHRN-UHFFFAOYSA-N 1 0 278.374 0.131 10 0 CCAERO C[C@H]1CN(C(=O)C2([NH3+])CCOCC2)C[C@](C)(C(F)F)O1 ZINC000663006716 414946011 /nfs/dbraw/zinc/94/60/11/414946011.db2.gz YKSBTACVBQLJAB-JOYOIKCWSA-N 1 0 292.326 0.765 10 0 CCAERO COCCS(=O)(=O)N(C)CC[C@@H]1CCCC[NH2+]1 ZINC000042809100 174883840 /nfs/dbraw/zinc/88/38/40/174883840.db2.gz BEIJEQPAXSRVJO-NSHDSACASA-N 1 0 264.391 0.427 10 0 CCAERO Cn1ncc(NCc2nc(C[NH3+])cc(=O)[nH]2)c(Cl)c1=O ZINC000663277348 415034849 /nfs/dbraw/zinc/03/48/49/415034849.db2.gz MUYVPBLIFQDVKS-UHFFFAOYSA-N 1 0 296.718 0.000 10 0 CCAERO O=C1NC2(CCCC2)C(=O)N1CC1CC[NH2+]CC1 ZINC000043497770 175058156 /nfs/dbraw/zinc/05/81/56/175058156.db2.gz WZEHHPYKISABNR-UHFFFAOYSA-N 1 0 251.330 0.851 10 0 CCAERO CCN(CCS(C)(=O)=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000044374322 175168592 /nfs/dbraw/zinc/16/85/92/175168592.db2.gz KITNTJCTUHIQTR-FOSCPWQOSA-N 1 0 260.403 0.636 10 0 CCAERO C[C@@H](C[NH3+])C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000044798151 175255110 /nfs/dbraw/zinc/25/51/10/175255110.db2.gz FOXSURLOHWMNRX-ZETCQYMHSA-N 1 0 261.281 0.446 10 0 CCAERO CCCCCCOC[C@H](O)C[NH2+]CCOCCO ZINC000054615154 175562327 /nfs/dbraw/zinc/56/23/27/175562327.db2.gz MFFYXPWTWPEEBO-CYBMUJFWSA-N 1 0 263.378 0.543 10 0 CCAERO OCCOCC[NH2+]C[C@@H](O)COc1ccccc1F ZINC000054615304 175562503 /nfs/dbraw/zinc/56/25/03/175562503.db2.gz LXFCRYPHMIABBF-LLVKDONJSA-N 1 0 273.304 0.164 10 0 CCAERO Cc1nn(C)c(N(C)C[C@@H]2CC[N@H+](C)C2)c1C=O ZINC000071189469 176065071 /nfs/dbraw/zinc/06/50/71/176065071.db2.gz OVJFJTWEYSNVPW-LLVKDONJSA-N 1 0 250.346 0.929 10 0 CCAERO CCN[C@](C)(CN(C)C[C@@H]1CC[N@H+](C)C1)C(=O)OC ZINC000071190975 176068491 /nfs/dbraw/zinc/06/84/91/176068491.db2.gz QJMLROGFOSJXAK-TZMCWYRMSA-N 1 0 271.405 0.411 10 0 CCAERO CC[NH2+][C@H](C)CCCn1cnc2c(cnn2C)c1=O ZINC000071195004 176076109 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ZINC000077300661 177250907 /nfs/dbraw/zinc/25/09/07/177250907.db2.gz UPAZFOMIRKHLDX-ZDUSSCGKSA-N 1 0 297.351 0.573 10 0 in-vitro CCAERO CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1ccc2nsnc2c1 ZINC000077320422 177252519 /nfs/dbraw/zinc/25/25/19/177252519.db2.gz VGAKAWRJNFEWFN-SKDRFNHKSA-N 1 0 291.380 0.339 10 0 CCAERO CS(=O)(=O)c1cnn(Cc2cc(C[NH3+])co2)c1 ZINC000725242050 545873198 /nfs/dbraw/zinc/87/31/98/545873198.db2.gz BYCKUMBAGDUNHP-UHFFFAOYSA-N 1 0 255.299 0.387 10 0 CCAERO COCCC(=O)NC1CCC2(CC1)C[NH2+]CCO2 ZINC000725243833 545873682 /nfs/dbraw/zinc/87/36/82/545873682.db2.gz KBSUCCFHFAVUAG-UHFFFAOYSA-N 1 0 256.346 0.440 10 0 CCAERO Cc1cccc(C(N)=[NH2+])c1-n1cc(S(C)(=O)=O)cn1 ZINC000725251038 545875749 /nfs/dbraw/zinc/87/57/49/545875749.db2.gz DARDTZNCDIMZMJ-UHFFFAOYSA-N 1 0 278.337 0.868 10 0 CCAERO C[NH2+][C@@H](C)c1cncc(-n2cc(S(C)(=O)=O)cn2)c1 ZINC000725250502 545876110 /nfs/dbraw/zinc/87/61/10/545876110.db2.gz HDAABLZKORXXRI-VIFPVBQESA-N 1 0 280.353 0.951 10 0 CCAERO 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CCAERO COCCNC(=O)N1CCC2(CC1)C[NH2+]C[C@@H](C)O2 ZINC000725273032 545889278 /nfs/dbraw/zinc/88/92/78/545889278.db2.gz XLAZNPCOTKIGRU-LLVKDONJSA-N 1 0 271.361 0.185 10 0 CCAERO O=C(NCCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000171898219 335084058 /nfs/dbraw/zinc/08/40/58/335084058.db2.gz QQHDQAVJOLOPDY-LBPRGKRZSA-N 1 0 280.372 0.002 10 0 CCAERO C[NH2+][C@H](C)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000054074169 544441404 /nfs/dbraw/zinc/44/14/04/544441404.db2.gz ACRNLEVNFYMNST-KOLCDFICSA-N 1 0 252.318 0.609 10 0 CCAERO C[C@H](NC(=O)COCC[NH3+])c1ccc2c(c1)OCCO2 ZINC000093230980 544539746 /nfs/dbraw/zinc/53/97/46/544539746.db2.gz MAJCKEWJJGUAAN-JTQLQIEISA-N 1 0 280.324 0.610 10 0 CCAERO O=C([C@@H]1COCCN1)N1CCC([NH+]2CCCCC2)CC1 ZINC000088371185 544506302 /nfs/dbraw/zinc/50/63/02/544506302.db2.gz CQTFEKQCKKJTAY-AWEZNQCLSA-N 1 0 281.400 0.452 10 0 CCAERO C[C@H](CN1CCCC1=O)NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089454987 544512817 /nfs/dbraw/zinc/51/28/17/544512817.db2.gz PEVJINIPBQVGSN-UTUOFQBUSA-N 1 0 267.373 0.489 10 0 CCAERO CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089455632 544513375 /nfs/dbraw/zinc/51/33/75/544513375.db2.gz QIKLVRUMDLMGGA-VXGBXAGGSA-N 1 0 282.388 0.235 10 0 CCAERO NS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000089449266 544513390 /nfs/dbraw/zinc/51/33/90/544513390.db2.gz RMKOOYLOZOEDLD-JOYOIKCWSA-N 1 0 297.380 0.648 10 0 CCAERO CN(C)C(=O)N1CCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089457385 544514908 /nfs/dbraw/zinc/51/49/08/544514908.db2.gz CWVTZHLZNLUUFF-RYUDHWBXSA-N 1 0 282.388 0.187 10 0 CCAERO [NH3+]CCc1nc(C(=O)N[C@H]2CCC[C@H](O)C2)cs1 ZINC000090947673 544525288 /nfs/dbraw/zinc/52/52/88/544525288.db2.gz MMUAKPLFIUFBKQ-IUCAKERBSA-N 1 0 269.370 0.678 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NC(=O)NCC2(OC)CCOCC2)C1 ZINC000122086812 544578015 /nfs/dbraw/zinc/57/80/15/544578015.db2.gz VCWGKWUYDYCZLQ-CYBMUJFWSA-N 1 0 299.415 0.966 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCCn1ccnn1 ZINC000127265373 544604153 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CC(C)[C@H]([NH3+])CC(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000136460462 544638837 /nfs/dbraw/zinc/63/88/37/544638837.db2.gz AWCQUGDNKCDNDF-QWHCGFSZSA-N 1 0 269.389 0.293 10 0 CCAERO CC[C@@H](C)NC(=O)CCNC(=O)C[C@@H]([NH3+])C(C)C ZINC000136410731 544639230 /nfs/dbraw/zinc/63/92/30/544639230.db2.gz NPHJUOCJOSHKPR-GHMZBOCLSA-N 1 0 257.378 0.781 10 0 CCAERO CCN1CCO[C@@H](C[NH2+][C@@H](C)c2cnn(C)c2)C1 ZINC000165256500 544720649 /nfs/dbraw/zinc/72/06/49/544720649.db2.gz ZXMBGBUPHNSCRA-AAEUAGOBSA-N 1 0 252.362 0.791 10 0 CCAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)C(=O)N(C)CC(=O)NC1CC1 ZINC000183124020 544765449 /nfs/dbraw/zinc/76/54/49/544765449.db2.gz BUVBUQJMNHQFMO-GVXVVHGQSA-N 1 0 297.399 0.269 10 0 CCAERO CNC(=O)[C@H]([NH2+]CC(=O)N[C@@H](C)C(C)C)C(C)C ZINC000183661816 544769768 /nfs/dbraw/zinc/76/97/68/544769768.db2.gz IDYOUFPFBYDKAP-CMPLNLGQSA-N 1 0 257.378 0.507 10 0 CCAERO Cc1c(CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])cnn1C ZINC000226697610 544831979 /nfs/dbraw/zinc/83/19/79/544831979.db2.gz JYYLVWMMPCITJR-PWSUYJOCSA-N 1 0 250.346 0.720 10 0 CCAERO C[C@@H]1CN(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)C[C@H]1CO ZINC000189506915 544791357 /nfs/dbraw/zinc/79/13/57/544791357.db2.gz WIIICHRPDKNYSA-VOAKCMCISA-N 1 0 281.400 0.881 10 0 CCAERO COC[C@H](C)OC[C@H](O)C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000234838619 544872583 /nfs/dbraw/zinc/87/25/83/544872583.db2.gz JPFKUAOSKJIAII-FQUUOJAGSA-N 1 0 275.389 0.540 10 0 CCAERO CC[C@H](C)NC(=O)[C@H](C)N1CCO[C@H](C[NH+](C)C)C1 ZINC000171636772 287616003 /nfs/dbraw/zinc/61/60/03/287616003.db2.gz USGOMGBPVZZXPF-RWMBFGLXSA-N 1 0 271.405 0.552 10 0 CCAERO CN1CCO[C@H](CNC(=O)N[C@H]2CC[C@@H](CO)CC2)C1 ZINC000246497288 544910132 /nfs/dbraw/zinc/91/01/32/544910132.db2.gz IULGWFIEIGJAPM-FRRDWIJNSA-N 1 0 285.388 0.167 10 0 CCAERO C[C@H](NC(=O)c1ccco1)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000248878145 544916215 /nfs/dbraw/zinc/91/62/15/544916215.db2.gz RLPJBQCKUYPEQK-DCAQKATOSA-N 1 0 279.340 0.655 10 0 CCAERO O=C(N[C@@H]1CCC[C@@H](O)C1)[C@H]1CC12CC[NH2+]CC2 ZINC000250633284 544923871 /nfs/dbraw/zinc/92/38/71/544923871.db2.gz DUDHQZSHFWUUOL-IJLUTSLNSA-N 1 0 252.358 0.796 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000250855395 544925018 /nfs/dbraw/zinc/92/50/18/544925018.db2.gz PDYYYKGUGBXSQJ-AXFHLTTASA-N 1 0 253.346 0.146 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cc(F)ccc1F ZINC000262071359 544937906 /nfs/dbraw/zinc/93/79/06/544937906.db2.gz BSEYUONPYZMMRH-RDDDGLTNSA-N 1 0 256.252 0.275 10 0 CCAERO CCc1nc(C)c(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)s1 ZINC000262065522 544938122 /nfs/dbraw/zinc/93/81/22/544938122.db2.gz BDXWEVMDKAODAO-DTWKUNHWSA-N 1 0 269.370 0.324 10 0 CCAERO CCc1ccc(CCC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262096256 544939669 /nfs/dbraw/zinc/93/96/69/544939669.db2.gz DJLIPQIDPNGJIT-CABCVRRESA-N 1 0 276.380 0.878 10 0 CCAERO O=C(COc1ccc(F)cc1F)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262109371 544940298 /nfs/dbraw/zinc/94/02/98/544940298.db2.gz FHEUMFUREXIXEN-LDYMZIIASA-N 1 0 286.278 0.040 10 0 CCAERO Cc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc1Cl ZINC000262107027 544940328 /nfs/dbraw/zinc/94/03/28/544940328.db2.gz FCWFXRISUCBBOL-PWSUYJOCSA-N 1 0 268.744 0.959 10 0 CCAERO Cc1ccc(O[C@H](C)C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262123570 544941246 /nfs/dbraw/zinc/94/12/46/544941246.db2.gz GAPBGIXNTKDXKZ-DYEKYZERSA-N 1 0 278.352 0.459 10 0 CCAERO COc1cccc(SCC(=O)NC[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000262150455 544942039 /nfs/dbraw/zinc/94/20/39/544942039.db2.gz HRHRBUXBSCYXNE-ZWNOBZJWSA-N 1 0 296.392 0.484 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)C1(c2ccc(F)cc2)CC1 ZINC000262320302 544942780 /nfs/dbraw/zinc/94/27/80/544942780.db2.gz RGSZZZOVZDSYSJ-ZWNOBZJWSA-N 1 0 278.327 0.554 10 0 CCAERO CCOC1CC(N(C)C(=O)NC[C@H]2CC[NH2+]C2)C1 ZINC000333755456 545042828 /nfs/dbraw/zinc/04/28/28/545042828.db2.gz ZRBCCWFFFARZMF-UNXYVOJBSA-N 1 0 255.362 0.805 10 0 CCAERO CS(=O)(=O)C[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2O)C1 ZINC000310316147 545010651 /nfs/dbraw/zinc/01/06/51/545010651.db2.gz FUOMRCFQTYODBD-IJLUTSLNSA-N 1 0 261.387 0.656 10 0 CCAERO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCO[C@H](CO)C2)C1 ZINC000318713272 545015905 /nfs/dbraw/zinc/01/59/05/545015905.db2.gz SINVXQUTVOPAGL-MJBXVCDLSA-N 1 0 256.390 0.657 10 0 CCAERO Cn1ncc2c1nc(N[C@H]1CCC[C@@H]([NH3+])C1)nc2N ZINC000333544089 545040121 /nfs/dbraw/zinc/04/01/21/545040121.db2.gz OHDQINSCFOLRQI-SFYZADRCSA-N 1 0 261.333 0.049 10 0 CCAERO O=C(NC[C@H]1CC[NH2+]C1)N1CCOc2cc(O)ccc2C1 ZINC000333714098 545041970 /nfs/dbraw/zinc/04/19/70/545041970.db2.gz STNYGZGNXGGJID-NSHDSACASA-N 1 0 291.351 0.906 10 0 CCAERO C[C@]1(NC(=O)NC[C@H]2CC[NH2+]C2)CCO[C@@H]1C1CC1 ZINC000333725759 545042488 /nfs/dbraw/zinc/04/24/88/545042488.db2.gz VJLJHTNGXSPGLY-SUHUHFCYSA-N 1 0 267.373 0.853 10 0 CCAERO CN1CCN(c2ccnc3cccnc32)[C@@H](C[NH3+])C1 ZINC000394222870 260125938 /nfs/dbraw/zinc/12/59/38/260125938.db2.gz IGNWYCOXVMTNIW-NSHDSACASA-N 1 0 257.341 0.709 10 0 CCAERO CCn1c(=O)c2ccccc2nc1N1CC[NH2+]CC1 ZINC000026467716 273778851 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269.389 0.748 10 0 CCAERO C[NH2+]CCS(=O)(=O)Nc1cccc(COC)c1 ZINC000049630424 522016010 /nfs/dbraw/zinc/01/60/10/522016010.db2.gz HMVKOTRHBQLWID-UHFFFAOYSA-N 1 0 258.343 0.794 10 0 CCAERO C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCC(F)(F)CO ZINC000183923666 522089017 /nfs/dbraw/zinc/08/90/17/522089017.db2.gz BPYGRSJLJFIZQM-GFCCVEGCSA-N 1 0 286.322 0.903 10 0 CCAERO COCCn1cc(NS(=O)(=O)CCCC[NH3+])cn1 ZINC000049546342 522111100 /nfs/dbraw/zinc/11/11/00/522111100.db2.gz OBGJUVZLKZDQIG-UHFFFAOYSA-N 1 0 276.362 0.010 10 0 CCAERO CN(Cc1cnn(C)c1)CC1(C[NH3+])CCOCC1 ZINC000052197530 523515490 /nfs/dbraw/zinc/51/54/90/523515490.db2.gz QYZRFCMWCSIHOX-UHFFFAOYSA-N 1 0 252.362 0.607 10 0 CCAERO CC[C@]1(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)CCC[NH2+]C1 ZINC000062854436 523533939 /nfs/dbraw/zinc/53/39/39/523533939.db2.gz TVFNUJKPQBDAJU-YPMHNXCESA-N 1 0 288.413 0.412 10 0 CCAERO COC(=O)[C@@](C)(N)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000062969198 523817721 /nfs/dbraw/zinc/81/77/21/523817721.db2.gz IXGOUMLWDDTBAZ-AAEUAGOBSA-N 1 0 255.362 0.047 10 0 CCAERO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCc1ccsc1 ZINC000049181246 524077835 /nfs/dbraw/zinc/07/78/35/524077835.db2.gz MOCTUVXENRVIKH-MRVPVSSYSA-N 1 0 255.343 0.724 10 0 CCAERO C[C@@H](CC[NH2+]C1CC1)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000052482986 524498382 /nfs/dbraw/zinc/49/83/82/524498382.db2.gz KEDNHWBIDRTWGA-CMPLNLGQSA-N 1 0 260.403 0.636 10 0 CCAERO COc1ccccc1N(C)S(=O)(=O)CCC[NH3+] ZINC000049972175 524526212 /nfs/dbraw/zinc/52/62/12/524526212.db2.gz MPQCESZYQZOCFF-UHFFFAOYSA-N 1 0 258.343 0.810 10 0 CCAERO Cc1ccc(C[NH2+]Cc2cc(=O)n(C)c(=O)n2C)s1 ZINC000048348966 524582413 /nfs/dbraw/zinc/58/24/13/524582413.db2.gz RVNFYIVASQSAND-UHFFFAOYSA-N 1 0 279.365 0.744 10 0 CCAERO C[C@@H](CN1CCCCC1)[NH2+][C@@H]1CC(=O)N(C)C1=O ZINC000049500670 524606933 /nfs/dbraw/zinc/60/69/33/524606933.db2.gz SPIWTTACDOHECJ-WDEREUQCSA-N 1 0 253.346 0.208 10 0 CCAERO CS(=O)(=O)NCCN1CCC([NH+]2CCCC2)CC1 ZINC000107367658 525192584 /nfs/dbraw/zinc/19/25/84/525192584.db2.gz YYEPGGZSCFQQPH-UHFFFAOYSA-N 1 0 275.418 0.096 10 0 CCAERO Cc1ccc([C@H](C)NS(=O)(=O)N(C)CCC[NH3+])o1 ZINC000049204609 525932738 /nfs/dbraw/zinc/93/27/38/525932738.db2.gz DYBOBMXLCGTPOX-JTQLQIEISA-N 1 0 275.374 0.764 10 0 CCAERO C[C@H](C(=O)NCc1nccs1)N1CC[NH2+]CC1 ZINC000049539376 526092156 /nfs/dbraw/zinc/09/21/56/526092156.db2.gz KHKVZANMHMGAGG-SECBINFHSA-N 1 0 254.359 0.053 10 0 CCAERO O=C(NCCCn1ccc2ccccc21)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000040829401 526284554 /nfs/dbraw/zinc/28/45/54/526284554.db2.gz XRJAYCUMXLPQFA-KBPBESRZSA-N 1 0 287.363 0.870 10 0 CCAERO O=C(NCCc1cc(F)cc(F)c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000060718988 526397360 /nfs/dbraw/zinc/39/73/60/526397360.db2.gz LYOCFRVYNSENMS-NEPJUHHUSA-N 1 0 270.279 0.346 10 0 CCAERO O=C([C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCS(=O)CC1 ZINC000049692751 526564723 /nfs/dbraw/zinc/56/47/23/526564723.db2.gz LUXBMDUZIAFJKE-SDDRHHMPSA-N 1 0 270.398 0.498 10 0 CCAERO O=C(CN1CCC[NH2+]CC1)NCCc1ccncc1 ZINC000061271422 526745019 /nfs/dbraw/zinc/74/50/19/526745019.db2.gz FWGOWLRSOOZTSJ-UHFFFAOYSA-N 1 0 262.357 0.036 10 0 CCAERO NC(=O)[C@@H](CCc1ccccc1)N1CCC[NH2+]CC1 ZINC000061625314 526953390 /nfs/dbraw/zinc/95/33/90/526953390.db2.gz UUYZHUJGHKSCBQ-CQSZACIVSA-N 1 0 261.369 0.768 10 0 CCAERO O=C1NC2(CC[NH2+]CC2)C(=O)N1Cc1cccs1 ZINC000061409421 527060285 /nfs/dbraw/zinc/06/02/85/527060285.db2.gz ZEDWTIDWYKOYKC-UHFFFAOYSA-N 1 0 265.338 0.922 10 0 CCAERO O=C1NCCN1CCN[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000049565541 527068795 /nfs/dbraw/zinc/06/87/95/527068795.db2.gz SWGWDXLRVBHQHJ-RYUDHWBXSA-N 1 0 252.362 0.228 10 0 CCAERO O=C(Nc1n[nH]cc1Br)[C@@H]1CC[NH2+]C1 ZINC000307312556 527088811 /nfs/dbraw/zinc/08/88/11/527088811.db2.gz JTNPYUHZOFFVRY-RXMQYKEDSA-N 1 0 259.107 0.720 10 0 CCAERO O=S(=O)(CC[C@H]1CCCC[NH2+]1)N1CCCOCC1 ZINC000061933458 527177633 /nfs/dbraw/zinc/17/76/33/527177633.db2.gz DNFJXLFFVCHPSI-GFCCVEGCSA-N 1 0 276.402 0.571 10 0 CCAERO O=S(=O)(C[C@H]1CCCC[NH2+]1)NC[C@@H]1CCCO1 ZINC000049630895 527184996 /nfs/dbraw/zinc/18/49/96/527184996.db2.gz NIBYFTCSKZIWGH-MNOVXSKESA-N 1 0 262.375 0.227 10 0 CCAERO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCC(c3cn[nH]c3)CC2)O1 ZINC000261913519 527239778 /nfs/dbraw/zinc/23/97/78/527239778.db2.gz XXWFSOQMSLMZHG-OLZOCXBDSA-N 1 0 278.356 0.622 10 0 CCAERO [NH3+][C@H]1CCCC[C@H]1CC(=O)NC1CCS(=O)(=O)CC1 ZINC000055129753 527396318 /nfs/dbraw/zinc/39/63/18/527396318.db2.gz NUWNZVHSLQAFGJ-JQWIXIFHSA-N 1 0 288.413 0.587 10 0 CCAERO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)C[C@@H](C)OC ZINC000192901761 528232308 /nfs/dbraw/zinc/23/23/08/528232308.db2.gz SFRGPWGQZRJSFA-WDEREUQCSA-N 1 0 266.407 0.671 10 0 CCAERO CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)O[C@H]2C[NH3+])C1 ZINC000675054014 545320341 /nfs/dbraw/zinc/32/03/41/545320341.db2.gz SFGJWGAOBZSQFK-TVQRCGJNSA-N 1 0 270.329 0.888 10 0 CCAERO C[C@@H]1CN(CC23CCC(CC2)[NH2+]3)C[C@@H](C)S1(=O)=O ZINC000675055928 545320613 /nfs/dbraw/zinc/32/06/13/545320613.db2.gz DLDBUFRBUBFQNY-OKZRHMCRSA-N 1 0 272.414 0.778 10 0 CCAERO CC(C)C(=O)N1C[C@@H]2[C@](C[NH3+])(C1)CCCS2(=O)=O ZINC000675072227 545321048 /nfs/dbraw/zinc/32/10/48/545321048.db2.gz AAHBDSCMJKWOGS-ZYHUDNBSSA-N 1 0 274.386 0.007 10 0 CCAERO CC(C)C(=O)N1C[C@H]2[C@](C[NH3+])(C1)CCCS2(=O)=O ZINC000675072219 545321163 /nfs/dbraw/zinc/32/11/63/545321163.db2.gz AAHBDSCMJKWOGS-CMPLNLGQSA-N 1 0 274.386 0.007 10 0 CCAERO CCc1cnc(CCNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)s1 ZINC000262339922 536024398 /nfs/dbraw/zinc/02/43/98/536024398.db2.gz GBEWGDOWDUKHIV-SCZZXKLOSA-N 1 0 269.370 0.087 10 0 CCAERO C[NH2+][C@@H](C)CNC(=O)c1ccc(C(=O)N(C)C)nc1C ZINC000261773055 536342623 /nfs/dbraw/zinc/34/26/23/536342623.db2.gz PJTWDZCMBAIOPH-VIFPVBQESA-N 1 0 278.356 0.430 10 0 CCAERO C[NH2+][C@@H](C)Cc1noc(-c2ccccc2-n2cnnn2)n1 ZINC000261822373 536346886 /nfs/dbraw/zinc/34/68/86/536346886.db2.gz QNZYQKQCBWHKMW-VIFPVBQESA-N 1 0 285.311 0.863 10 0 CCAERO C[NH2+][C@@H](C)Cc1noc([C@H](C)N2CCOCC2)n1 ZINC000261650859 536350449 /nfs/dbraw/zinc/35/04/49/536350449.db2.gz DWPYTQPAWUJUGI-UWVGGRQHSA-N 1 0 254.334 0.613 10 0 CCAERO C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCCC[C@H]1CO ZINC000304614381 536373176 /nfs/dbraw/zinc/37/31/76/536373176.db2.gz KKTTZPORRCCTLL-XQQFMLRXSA-N 1 0 269.389 0.931 10 0 CCAERO C[NH2+][C@H](C)CNC(=O)Cc1nc2nc(C)cc(C)n2n1 ZINC000261672038 536393226 /nfs/dbraw/zinc/39/32/26/536393226.db2.gz GWHGFYOJWQLPMS-SECBINFHSA-N 1 0 276.344 0.008 10 0 CCAERO C[NH2+][C@H](C)CNC(=O)c1nn(C)c2ccccc2c1=O ZINC000261712456 536402316 /nfs/dbraw/zinc/40/23/16/536402316.db2.gz KCOJFTDZUFNBBU-SECBINFHSA-N 1 0 274.324 0.271 10 0 CCAERO CO[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261692045 536601604 /nfs/dbraw/zinc/60/16/04/536601604.db2.gz HQHKUWJAZNTGEW-KKOKHZNYSA-N 1 0 256.346 0.567 10 0 CCAERO COC(=O)c1ccc(C[N@@H+]2C[C@H](OC)C[C@@H]2CO)nc1 ZINC000312725580 536683249 /nfs/dbraw/zinc/68/32/49/536683249.db2.gz RPJKIPBBKPKUKJ-CHWSQXEVSA-N 1 0 280.324 0.450 10 0 CCAERO COc1cc(C)sc1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262086118 536707402 /nfs/dbraw/zinc/70/74/02/536707402.db2.gz CSKGOHOLDZREFO-RKDXNWHRSA-N 1 0 270.354 0.375 10 0 CCAERO CC[C@@H](C(=O)N1CCO[C@@H](c2nncn2C)C1)[NH+](C)C ZINC000681879672 545465512 /nfs/dbraw/zinc/46/55/12/545465512.db2.gz PNSOQSRQKBLTRV-WDEREUQCSA-N 1 0 281.360 0.055 10 0 CCAERO CCc1nn(C)cc1C[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000393037658 581151921 /nfs/dbraw/zinc/15/19/21/581151921.db2.gz YNIKBPPKAPLTCX-CABZTGNLSA-N 1 0 250.346 0.739 10 0 CCAERO C[C@H](CCCCO)[NH2+]C[C@H](O)CN1CCCCC1 ZINC000398407031 581188166 /nfs/dbraw/zinc/18/81/66/581188166.db2.gz AACMSDGFQGZBQE-KGLIPLIRSA-N 1 0 258.406 0.974 10 0 CCAERO CN1CCOC[C@@]12C[NH2+][C@]1(COC(C)(C)C1)OC2 ZINC000757138321 581678680 /nfs/dbraw/zinc/67/86/80/581678680.db2.gz BHSNTLCXQFNSRR-OLZOCXBDSA-N 1 0 256.346 0.202 10 0 CCAERO CCCN(C)S(=O)(=O)C[C@@H]([NH3+])[C@H]1CCCOC1 ZINC000757150975 581696779 /nfs/dbraw/zinc/69/67/79/581696779.db2.gz LJONLBCZDVRUDA-WDEREUQCSA-N 1 0 264.391 0.412 10 0 CCAERO CCOC(=O)C1(C2(O)CC[NH2+]CC2)CCOCC1 ZINC000757184483 581697456 /nfs/dbraw/zinc/69/74/56/581697456.db2.gz XZRGADUZRAJNBM-UHFFFAOYSA-N 1 0 257.330 0.461 10 0 CCAERO CC(C)(C)OC(=O)CCc1nc(C2(N)COC2)no1 ZINC000757182173 581697829 /nfs/dbraw/zinc/69/78/29/581697829.db2.gz GSSKIWZBCZKTQV-UHFFFAOYSA-N 1 0 269.301 0.528 10 0 CCAERO CCOC(=O)C1([C@]2(O)CCC[NH2+]C2)CCOCC1 ZINC000757183563 581698001 /nfs/dbraw/zinc/69/80/01/581698001.db2.gz POBFQJVUVXVQNO-ZDUSSCGKSA-N 1 0 257.330 0.461 10 0 CCAERO N[C@H](CCCC[NH3+])c1nc(N2CCOCC2)no1 ZINC000757205159 581698488 /nfs/dbraw/zinc/69/84/88/581698488.db2.gz UGCISGTWSHCFGA-SECBINFHSA-N 1 0 255.322 0.035 10 0 CCAERO CC(C)(C(=O)NC[C@@H](O)c1ccccc1)N1CC[NH2+]CC1 ZINC000129602612 614297720 /nfs/dbraw/zinc/29/77/20/614297720.db2.gz SFNKTNQQEAQVET-CQSZACIVSA-N 1 0 291.395 0.520 10 0 CCAERO CCNC(=O)CC[NH2+][C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 ZINC000886077929 615463506 /nfs/dbraw/zinc/46/35/06/615463506.db2.gz KEPCPXVCKRRTBJ-UPJWGTAASA-N 1 0 269.389 0.090 10 0 CCAERO CC[C@@H]1CN(CC[C@@H]2CCOC2=O)CC[N@@H+]1C[C@@H](C)O ZINC000120470003 615563808 /nfs/dbraw/zinc/56/38/08/615563808.db2.gz LXRRBYISIZJAKW-MGPQQGTHSA-N 1 0 284.400 0.717 10 0 CCAERO C[NH+](C)C[C@H]1CN(CN2CCSC2=S)CCO1 ZINC000152997753 615947491 /nfs/dbraw/zinc/94/74/91/615947491.db2.gz FXSKDGHAKREANT-JTQLQIEISA-N 1 0 275.443 0.540 10 0 CCAERO C[NH+](C)C[C@H]1CN(Cn2ncn(C3CC3)c2=S)CCO1 ZINC000152984679 615947529 /nfs/dbraw/zinc/94/75/29/615947529.db2.gz MQWXINCFILIDGF-LBPRGKRZSA-N 1 0 297.428 0.969 10 0 CCAERO CN1CC[N@H+](C)CC(C(=O)NC[C@@H](O)C(C)(C)C)C1 ZINC000907009762 616234064 /nfs/dbraw/zinc/23/40/64/616234064.db2.gz QJKVNDJCSZVJTQ-GFCCVEGCSA-N 1 0 271.405 0.003 10 0 CCAERO COC/C(C)=C\C(=O)N1C[C@@H]([NH+](C)C)[C@@H](n2ccnn2)C1 ZINC000888094334 616380616 /nfs/dbraw/zinc/38/06/16/616380616.db2.gz IDPLWZQDUUVVNL-MENMGGHXSA-N 1 0 293.371 0.184 10 0 CCAERO COC[C@@H]1C[C@H](OC)CN1c1nc(N)cc(C)[nH+]1 ZINC000893767365 617007980 /nfs/dbraw/zinc/00/79/80/617007980.db2.gz GTCPMRGVPDYJSC-UWVGGRQHSA-N 1 0 252.318 0.607 10 0 CCAERO CNc1nc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cs1 ZINC000120275935 617069103 /nfs/dbraw/zinc/06/91/03/617069103.db2.gz IKSFEAXHADVEAR-MRVPVSSYSA-N 1 0 254.359 0.961 10 0 CCAERO CC[C@H](NS(=O)(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000051629256 622697781 /nfs/dbraw/zinc/69/77/81/622697781.db2.gz BYYAPSJRINJZGN-ZDUSSCGKSA-N 1 0 283.397 0.877 10 0 CCAERO C[C@@H]([NH2+]C[C@@H](O)CO)c1ccc2c(c1)OCCO2 ZINC000090282726 624482283 /nfs/dbraw/zinc/48/22/83/624482283.db2.gz ZVWMXSOMIONKCY-MWLCHTKSSA-N 1 0 253.298 0.462 10 0 CCAERO COC(=O)[C@@H]1C[N@H+](CCN2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000313826608 625903472 /nfs/dbraw/zinc/90/34/72/625903472.db2.gz DIIJTYHTQBUTBB-XDQVBPFNSA-N 1 0 284.400 0.837 10 0 CCAERO [NH3+]CCCCCCc1nc([C@H]2CN3CCN2CC3)no1 ZINC000094506170 631279094 /nfs/dbraw/zinc/27/90/94/631279094.db2.gz RJILCLFAYAIVGJ-GFCCVEGCSA-N 1 0 279.388 0.804 10 0 CCAERO COCC[C@H]([NH3+])C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000227056502 631349300 /nfs/dbraw/zinc/34/93/00/631349300.db2.gz UJVVOYJYKSPDAZ-QJPTWQEYSA-N 1 0 256.346 0.520 10 0 CCAERO O=C(N1CCC(Nc2cccnn2)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000167911677 631399074 /nfs/dbraw/zinc/39/90/74/631399074.db2.gz OQDPPZBVKTXRNL-CQSZACIVSA-N 1 0 293.346 0.581 10 0 CCAERO [NH3+][C@@H](C(=O)NC[C@H]1CSCCS1)C1CCOCC1 ZINC000262082409 631889275 /nfs/dbraw/zinc/88/92/75/631889275.db2.gz TYGYKRDOLWRTFU-WDEREUQCSA-N 1 0 290.454 0.705 10 0 CCAERO C[NH2+]C[C@H]1CCN(C(=O)[C@H](NC(=O)OC)C(C)C)C1 ZINC000178967359 631928828 /nfs/dbraw/zinc/92/88/28/631928828.db2.gz POBFBTCGYNSLQG-GHMZBOCLSA-N 1 0 271.361 0.435 10 0 CCAERO Cc1ccc([C@@H](CNC(N)=[NH2+])N2CCOCC2)s1 ZINC000262464784 632401713 /nfs/dbraw/zinc/40/17/13/632401713.db2.gz NJKZFUKFAZTUAT-SNVBAGLBSA-N 1 0 268.386 0.913 10 0 CCAERO CCN(CC)C(=O)COCC(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000222554864 636875622 /nfs/dbraw/zinc/87/56/22/636875622.db2.gz BOKIJYGEJXXXJT-CYBMUJFWSA-N 1 0 297.399 0.082 10 0 CCAERO Cc1ccnn1[C@@H](C)C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000222550836 636875682 /nfs/dbraw/zinc/87/56/82/636875682.db2.gz IDGLWNLHQKKKTE-WCQYABFASA-N 1 0 262.357 0.963 10 0 CCAERO Cc1c(C(=O)NC2CC[NH+](C)CC2)nn2c1OCC2 ZINC000223827456 636909296 /nfs/dbraw/zinc/90/92/96/636909296.db2.gz ZLSMSRAIKOCSGV-UHFFFAOYSA-N 1 0 264.329 0.408 10 0 CCAERO COC(=O)[C@@H]1C[N@H+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000227753097 637035103 /nfs/dbraw/zinc/03/51/03/637035103.db2.gz FHTJYLPBVFBPKQ-WUHRBBMRSA-N 1 0 298.383 0.363 10 0 CCAERO Cc1n[nH]cc1S(=O)(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000228064081 637044113 /nfs/dbraw/zinc/04/41/13/637044113.db2.gz HGOCREGWKOVBJH-MWLCHTKSSA-N 1 0 284.385 0.575 10 0 CCAERO CC(C)[NH2+][C@H](CCn1cc(Br)cn1)C(N)=O ZINC000062536392 637173585 /nfs/dbraw/zinc/17/35/85/637173585.db2.gz SHVLVNUOMSKNOW-SECBINFHSA-N 1 0 289.177 0.888 10 0 CCAERO CCC[C@H]1CC(=O)N(CN2CC[C@H](N3CCOCC3)C2)C1 ZINC000173365978 637216293 /nfs/dbraw/zinc/21/62/93/637216293.db2.gz LYQYIEKKOONCIT-GJZGRUSLSA-N 1 0 295.427 0.999 10 0 CCAERO CNC(=O)C1CCN(C(=O)[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000089388358 637631942 /nfs/dbraw/zinc/63/19/42/637631942.db2.gz IZYFLRISEBOSDB-QWHCGFSZSA-N 1 0 281.400 0.736 10 0 CCAERO CCC[C@@H](C(=O)NN=c1cc(Cl)[nH]c(N)n1)[NH+](C)C ZINC000182791758 638508831 /nfs/dbraw/zinc/50/88/31/638508831.db2.gz HAZLNRIFLBAOHG-ZETCQYMHSA-N 1 0 286.767 0.886 10 0 CCAERO NC(=O)C1CCN(C(=O)[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000089386290 649653328 /nfs/dbraw/zinc/65/33/28/649653328.db2.gz ZFKBYBIIWNKPGT-RYUDHWBXSA-N 1 0 267.373 0.475 10 0 CCAERO COCCN(CC(=O)N(C)C)C(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089391533 649655834 /nfs/dbraw/zinc/65/58/34/649655834.db2.gz IHWHBMPMKPCAAJ-OLZOCXBDSA-N 1 0 299.415 0.315 10 0 CCAERO COCCOCCCNC(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000089395288 649656117 /nfs/dbraw/zinc/65/61/17/649656117.db2.gz KLAAGUJFSDEQMT-STQMWFEESA-N 1 0 272.389 0.921 10 0 CCAERO CCOC(=O)N1CCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000089458332 649657179 /nfs/dbraw/zinc/65/71/79/649657179.db2.gz QBVQMPOYXKKPND-NEPJUHHUSA-N 1 0 283.372 0.662 10 0 CCAERO CC[C@@H]1CN(C(=O)C[C@@H](C)OC)CC[N@@H+]1C[C@H](C)O ZINC000246944457 649695684 /nfs/dbraw/zinc/69/56/84/649695684.db2.gz RXKMINDEVNFJOD-YNEHKIRRSA-N 1 0 272.389 0.715 10 0 CCAERO [NH3+]C1CC(CNS(=O)(=O)c2ccc(F)cc2)C1 ZINC000091537920 649706410 /nfs/dbraw/zinc/70/64/10/649706410.db2.gz IIVGQLMRTCBBPP-UHFFFAOYSA-N 1 0 258.318 0.841 10 0 CCAERO CC(=O)N1CSC[C@@H]1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248667210 649735750 /nfs/dbraw/zinc/73/57/50/649735750.db2.gz WYGXRABZGJDXDJ-NNYUYHANSA-N 1 0 283.397 0.104 10 0 CCAERO CC[C@H]1CN(CC(OC)OC)CC[N@@H+]1C[C@H](C)O ZINC000248695930 649736221 /nfs/dbraw/zinc/73/62/21/649736221.db2.gz CZUOGSLHGIEFFV-RYUDHWBXSA-N 1 0 260.378 0.382 10 0 CCAERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NOC[C@H]2CCOC2)C1 ZINC000248776324 649737469 /nfs/dbraw/zinc/73/74/69/649737469.db2.gz PHKAWEWDYNLTQN-FRRDWIJNSA-N 1 0 285.388 0.982 10 0 CCAERO CC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000248847374 649738416 /nfs/dbraw/zinc/73/84/16/649738416.db2.gz IJGPGOPEHRJUQI-FBIMIBRVSA-N 1 0 271.386 0.165 10 0 CCAERO C(c1nc([C@H]2CN3CCN2CC3)no1)C1CC[NH2+]CC1 ZINC000094506253 649743912 /nfs/dbraw/zinc/74/39/12/649743912.db2.gz OLFNTCYAWRERRJ-GFCCVEGCSA-N 1 0 277.372 0.284 10 0 CCAERO COC(=O)[C@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@@H]1C ZINC000094996231 649750448 /nfs/dbraw/zinc/75/04/48/649750448.db2.gz MQFWTPMILNKWBT-JQWIXIFHSA-N 1 0 268.357 0.786 10 0 CCAERO Cc1c(CNC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cnn1C ZINC000250884943 649795163 /nfs/dbraw/zinc/79/51/63/649795163.db2.gz GDELDGJNLRUJBS-UONOGXRCSA-N 1 0 264.373 0.681 10 0 CCAERO C[NH+](C)C[C@H]1CN(C(=O)/C=C\c2cncc(O)c2)CCO1 ZINC000588408998 791173298 /nfs/dbraw/zinc/17/32/98/791173298.db2.gz SQXYAXQLAPETHM-NQHOJNORSA-N 1 0 291.351 0.589 10 0 CCAERO C[C@H](C(=O)[O-])[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000700809252 976979190 /nfs/dbraw/zinc/97/91/90/976979190.db2.gz WLKXVSFGMIGSTC-PRJMDXOYSA-N 1 0 254.252 0.919 10 0 CCAERO C[C@@H]1C[N@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@H]1CC(=O)[O-] ZINC000722608215 978149120 /nfs/dbraw/zinc/14/91/20/978149120.db2.gz DHIJJZMVFJVXQF-UPJWGTAASA-N 1 0 270.373 0.486 10 0 CCAERO CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722621726 978152415 /nfs/dbraw/zinc/15/24/15/978152415.db2.gz QNHJQWKCWFVKHH-JHJVBQTASA-N 1 0 272.389 0.730 10 0 CCAERO Cc1nccn1-c1ncccc1NC(=O)C1C[NH2+]C1 ZINC000091409916 349461972 /nfs/dbraw/zinc/46/19/72/349461972.db2.gz AWOAFRREFFGYIN-UHFFFAOYSA-N 1 0 257.297 0.734 10 0 CCAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CCC(CC(N)=O)CC2)C1 ZINC000091765514 349474869 /nfs/dbraw/zinc/47/48/69/349474869.db2.gz PNHQZAAXXRZBAB-QWHCGFSZSA-N 1 0 296.415 0.766 10 0 CCAERO NC(=O)[C@H](c1cc(Cl)ccc1F)N1CC[NH2+]CC1 ZINC000082577086 178117336 /nfs/dbraw/zinc/11/73/36/178117336.db2.gz CSRWFHPZFGUIJR-NSHDSACASA-N 1 0 271.723 0.911 10 0 CCAERO C[C@@H](Cc1ncccc1C(N)=O)N1CC[NH+](C)CC1 ZINC000095934900 185033282 /nfs/dbraw/zinc/03/32/82/185033282.db2.gz AVWRJJWMNDIYDB-NSHDSACASA-N 1 0 262.357 0.359 10 0 CCAERO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCN(C3CC3)C1=O)CC2 ZINC000330068619 282128208 /nfs/dbraw/zinc/12/82/08/282128208.db2.gz GMXIBCWYACAYGX-PWSUYJOCSA-N 1 0 275.356 0.254 10 0 CCAERO C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2Cc3ccccc3O2)CCO1 ZINC000172307897 282126194 /nfs/dbraw/zinc/12/61/94/282126194.db2.gz KHPYQVLIZQLAJA-UKRRQHHQSA-N 1 0 290.363 0.779 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCC(CC(N)=O)CC1 ZINC000094647731 349571105 /nfs/dbraw/zinc/57/11/05/349571105.db2.gz LICCTZVDTIPIMG-JQWIXIFHSA-N 1 0 267.373 0.489 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCCC(=O)NC1CC1 ZINC000094648768 349572265 /nfs/dbraw/zinc/57/22/65/349572265.db2.gz YXAZQIUGRYEZQT-CMPLNLGQSA-N 1 0 267.373 0.550 10 0 CCAERO Cc1ccc([C@H](C)[NH2+]CC(=O)NC(N)=O)cc1F ZINC000094955526 349579104 /nfs/dbraw/zinc/57/91/04/349579104.db2.gz LOMHXBQHQVLCNH-QMMMGPOBSA-N 1 0 253.277 0.980 10 0 CCAERO Cc1cc(C)nc(S(=O)(=O)C[C@@H]2CC[NH2+]C2)n1 ZINC000095068844 349585250 /nfs/dbraw/zinc/58/52/50/349585250.db2.gz KAOXQGSTAZYHNY-SNVBAGLBSA-N 1 0 255.343 0.477 10 0 CCAERO COc1nccnc1CN(C)C[C@@H]1CCC[NH2+]C1 ZINC000095071593 349586946 /nfs/dbraw/zinc/58/69/46/349586946.db2.gz OYDFBLPTAIXGCV-LLVKDONJSA-N 1 0 250.346 0.917 10 0 CCAERO Cc1nccnc1S(=O)(=O)N(C)[C@H]1CCC[NH2+]C1 ZINC000095070593 349587066 /nfs/dbraw/zinc/58/70/66/349587066.db2.gz DOACIZLWDSIHRE-JTQLQIEISA-N 1 0 270.358 0.158 10 0 CCAERO O=S(=O)(Cc1ccncc1)NC[C@H]1CCCC[NH2+]1 ZINC000095073126 349587986 /nfs/dbraw/zinc/58/79/86/349587986.db2.gz FSXJOHLUQIASIB-GFCCVEGCSA-N 1 0 269.370 0.643 10 0 CCAERO Cn1nccc1NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000125110594 282138404 /nfs/dbraw/zinc/13/84/04/282138404.db2.gz DKBBKSQTCQIYDL-JTQLQIEISA-N 1 0 267.333 0.214 10 0 CCAERO CS(=O)(=O)CCCN1CCC([NH+]2CCCC2)CC1 ZINC000103226571 349692518 /nfs/dbraw/zinc/69/25/18/349692518.db2.gz NWKTXQYZPHYOKD-UHFFFAOYSA-N 1 0 274.430 0.981 10 0 CCAERO CCc1cc(CC)nc(NC[C@@H]2C[NH2+]C[C@@H]2O)n1 ZINC000420245283 529526419 /nfs/dbraw/zinc/52/64/19/529526419.db2.gz QZDGCIOXQCWSHJ-CABZTGNLSA-N 1 0 250.346 0.016 10 0 CCAERO C[C@@H](CNC(=O)NC[C@@H]1CN(C)CCO1)C[NH+]1CCCC1 ZINC000105161237 349721936 /nfs/dbraw/zinc/72/19/36/349721936.db2.gz MFCHWCFNALDRHL-UONOGXRCSA-N 1 0 298.431 0.348 10 0 CCAERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N2CCOCC2)CC1 ZINC000112712071 349789270 /nfs/dbraw/zinc/78/92/70/349789270.db2.gz RNYJBUVEZNXHLK-ZDUSSCGKSA-N 1 0 299.415 0.463 10 0 CCAERO CC[NH+](CC)CC(=O)N[C@H]1CCc2ncnn2C1 ZINC000112654301 349785116 /nfs/dbraw/zinc/78/51/16/349785116.db2.gz SPFOMTADGOOKBK-JTQLQIEISA-N 1 0 251.334 0.051 10 0 CCAERO CN1CCO[C@@H](C[NH2+]Cc2cnn3ccccc23)C1 ZINC000112838734 349793435 /nfs/dbraw/zinc/79/34/35/349793435.db2.gz HVSHWIHLPKDZQM-ZDUSSCGKSA-N 1 0 260.341 0.755 10 0 CCAERO COC(=O)c1ccc(NCC2([NH3+])CCOCC2)nc1C ZINC000600952919 362098219 /nfs/dbraw/zinc/09/82/19/362098219.db2.gz UDOHLWMRWAGFJP-UHFFFAOYSA-N 1 0 279.340 0.518 10 0 CCAERO COC(=O)c1ccc(NCCOCCC[NH3+])nc1C ZINC000600955886 362100689 /nfs/dbraw/zinc/10/06/89/362100689.db2.gz TXVTTYYYEWHZBP-UHFFFAOYSA-N 1 0 267.329 0.376 10 0 CCAERO COC(=O)CCCCN1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000600887672 362088926 /nfs/dbraw/zinc/08/89/26/362088926.db2.gz XLYKUJLCCYXMIA-DGCLKSJQSA-N 1 0 258.362 0.768 10 0 CCAERO COCCOCCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113223800 349804448 /nfs/dbraw/zinc/80/44/48/349804448.db2.gz WGBIWVMLNNSXSF-QWHCGFSZSA-N 1 0 270.373 0.735 10 0 CCAERO COC(=O)NCCC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000113229805 349806107 /nfs/dbraw/zinc/80/61/07/349806107.db2.gz LWTRTSSZSXXQFN-GHMZBOCLSA-N 1 0 269.345 0.428 10 0 CCAERO CCCS(=O)(=O)CCN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113269510 349807026 /nfs/dbraw/zinc/80/70/26/349807026.db2.gz FLTHBMHMJPHACT-QWHCGFSZSA-N 1 0 274.430 0.980 10 0 CCAERO O[C@H](CNc1ncnc2nc[nH]c21)C[NH+]1CCCCC1 ZINC000174685001 231762067 /nfs/dbraw/zinc/76/20/67/231762067.db2.gz UMSLDVAUBNGBII-SNVBAGLBSA-N 1 0 276.344 0.612 10 0 CCAERO CN1CC[C@@H]([N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)C1=O ZINC000116277799 349866909 /nfs/dbraw/zinc/86/69/09/349866909.db2.gz OPIFBLMRBZIQNA-CHWSQXEVSA-N 1 0 289.383 0.608 10 0 CCAERO COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116321282 349867988 /nfs/dbraw/zinc/86/79/88/349867988.db2.gz RDMWLHHFLVZNPU-STQMWFEESA-N 1 0 294.399 0.751 10 0 CCAERO Cn1cc([C@@H]2CC[N@H+](CC(=O)N3CCCC3)C2)cn1 ZINC000116408261 349869910 /nfs/dbraw/zinc/86/99/10/349869910.db2.gz QCVPUNOMMIYHQY-GFCCVEGCSA-N 1 0 262.357 0.832 10 0 CCAERO CCC[C@H](C(=O)N1CC(OCCCOC)C1)[NH+](C)C ZINC000156759790 290705775 /nfs/dbraw/zinc/70/57/75/290705775.db2.gz OLERWVXWLPAAPO-CYBMUJFWSA-N 1 0 272.389 0.981 10 0 CCAERO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)CCO1 ZINC000116794423 349873021 /nfs/dbraw/zinc/87/30/21/349873021.db2.gz HGUBAVWKGUMTJH-GFCCVEGCSA-N 1 0 292.335 0.818 10 0 CCAERO COCCCCC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116791257 349873370 /nfs/dbraw/zinc/87/33/70/349873370.db2.gz FDNIVGAIBCAUQE-LBPRGKRZSA-N 1 0 258.362 0.592 10 0 CCAERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H]1CCN(C)C1=O)CC2 ZINC000116278403 349866964 /nfs/dbraw/zinc/86/69/64/349866964.db2.gz XXXHGOWXVLEJFX-GHMZBOCLSA-N 1 0 277.372 0.537 10 0 CCAERO O=C(N[C@@H]1CCCC[NH2+]C1)N1CCN(C2CC2)C(=O)C1 ZINC000333849613 295718965 /nfs/dbraw/zinc/71/89/65/295718965.db2.gz PUPUUYFHGCLIQM-LLVKDONJSA-N 1 0 280.372 0.145 10 0 CCAERO CCCNC(=O)[C@@H](C)N1CC[NH+](C[C@@H](O)CC)CC1 ZINC000118856878 349909133 /nfs/dbraw/zinc/90/91/33/349909133.db2.gz FGBIJKWSPADHCY-OLZOCXBDSA-N 1 0 271.405 0.290 10 0 CCAERO CCOCCN1CCN(C(=O)Cc2cc(C)n[nH]2)C[C@@H]1C ZINC000119032669 349915263 /nfs/dbraw/zinc/91/52/63/349915263.db2.gz URVQIDGNDYZIGV-ZDUSSCGKSA-N 1 0 294.399 0.830 10 0 CCAERO COC(=O)[C@@H]1CCCCN1C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000602502432 362648323 /nfs/dbraw/zinc/64/83/23/362648323.db2.gz WXOAMIZJAUGASF-MNOVXSKESA-N 1 0 252.314 0.588 10 0 CCAERO CCc1ccc(C[N@@H+]2CCC[C@](O)(C(N)=O)C2)nc1 ZINC000339190446 215004147 /nfs/dbraw/zinc/00/41/47/215004147.db2.gz NFYYERRJWDVPMO-CQSZACIVSA-N 1 0 263.341 0.456 10 0 CCAERO C[C@@H]1C[C@@H](C(=O)N2CCC(C[NH+](C)C)CC2)CC(=O)N1 ZINC000408200643 137849795 /nfs/dbraw/zinc/84/97/95/137849795.db2.gz BOPGXKNSFBVHKP-DGCLKSJQSA-N 1 0 281.400 0.701 10 0 CCAERO O=C(N[C@@H]1CCO[C@@H]1c1ccccc1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262528626 295769404 /nfs/dbraw/zinc/76/94/04/295769404.db2.gz PEHAKVGTWNDXGG-AAVRWANBSA-N 1 0 276.336 0.356 10 0 CCAERO C[NH+](C)CC1(CNC(=O)[C@@H]2CNC(=O)C2)CCCC1 ZINC000185861591 136909412 /nfs/dbraw/zinc/90/94/12/136909412.db2.gz ROCTYTMBXNCZBP-NSHDSACASA-N 1 0 267.373 0.361 10 0 CCAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nc(N)nc(N)n1 ZINC000246102376 136976653 /nfs/dbraw/zinc/97/66/53/136976653.db2.gz OUPOBPKHCHFPDH-UWVGGRQHSA-N 1 0 277.376 0.095 10 0 CCAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccccc3)C[C@H]12 ZINC000248635340 136993985 /nfs/dbraw/zinc/99/39/85/136993985.db2.gz QEPADEVCXBISFN-KGYLQXTDSA-N 1 0 273.336 0.821 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC(=O)N(C)CC ZINC000251498429 137001587 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C[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(F)c(F)c1 ZINC000262366901 137040503 /nfs/dbraw/zinc/04/05/03/137040503.db2.gz VSMMELKVRMQSKS-FWDPORAESA-N 1 0 284.306 0.765 10 0 CCAERO CCc1noc2ncc(C(=O)NC[C@H]3C[NH2+]C[C@H]3O)cc12 ZINC000262412061 137042573 /nfs/dbraw/zinc/04/25/73/137042573.db2.gz ZJHZKUVNGWROHB-BXKDBHETSA-N 1 0 290.323 0.095 10 0 CCAERO CCN1CCN(C(=O)[C@H]([NH3+])COC)c2ccccc21 ZINC000262483147 137044583 /nfs/dbraw/zinc/04/45/83/137044583.db2.gz ZUXNXNGFMHEJAB-LLVKDONJSA-N 1 0 263.341 0.833 10 0 CCAERO CCN(C[C@H](O)c1ccc(C)cc1)C(=O)[C@@H]([NH3+])COC ZINC000262511165 137045839 /nfs/dbraw/zinc/04/58/39/137045839.db2.gz JPAKBIHLQQYZEA-KBPBESRZSA-N 1 0 280.368 0.851 10 0 CCAERO CCC([NH3+])(CC)CNC(=O)[C@@H](CCSC)NC(N)=O ZINC000262637861 137048816 /nfs/dbraw/zinc/04/88/16/137048816.db2.gz PEGVLNNRMYLTRX-SECBINFHSA-N 1 0 290.433 0.410 10 0 CCAERO CC[C@@H](C)[C@H]([NH3+])C(=O)NCCNC(=O)c1ccc(O)cc1 ZINC000262802477 137053420 /nfs/dbraw/zinc/05/34/20/137053420.db2.gz 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CO[C@H]1C[NH2+][C@@H](C(=O)NCCc2ccc(F)cc2)C1 ZINC000040629862 348239633 /nfs/dbraw/zinc/23/96/33/348239633.db2.gz XLUOHZAVGMCUIJ-CHWSQXEVSA-N 1 0 266.316 0.861 10 0 CCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N2CCO[C@H](c3ccccc3)C2)C1 ZINC000040636150 348239941 /nfs/dbraw/zinc/23/99/41/348239941.db2.gz IHPXNGAOMJNBDQ-KFWWJZLASA-N 1 0 290.363 0.963 10 0 CCAERO Nc1ccc([C@H](O)C[NH2+][C@@H]2CN3CCC2CC3)cc1 ZINC000039250111 348229219 /nfs/dbraw/zinc/22/92/19/348229219.db2.gz NJFHXVOEWLZHOH-HUUCEWRRSA-N 1 0 261.369 0.986 10 0 CCAERO CC[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000104133194 185903955 /nfs/dbraw/zinc/90/39/55/185903955.db2.gz ZACZGCWKYOHHEK-HBNTYKKESA-N 1 0 253.346 0.112 10 0 CCAERO CN(CCc1ccccn1)C(=O)C1(C[NH3+])CCOCC1 ZINC000044762292 348325990 /nfs/dbraw/zinc/32/59/90/348325990.db2.gz KTBOVBQQFNCTON-UHFFFAOYSA-N 1 0 277.368 0.838 10 0 CCAERO Cc1ccc([C@H](C)NC(=O)C(=O)N2CCC[NH2+]CC2)o1 ZINC000049230890 348446200 /nfs/dbraw/zinc/44/62/00/348446200.db2.gz REJLNLSQBJOYPJ-NSHDSACASA-N 1 0 279.340 0.587 10 0 CCAERO CCOC(=O)N[C@H]1CCCN(C(=O)[C@@H](C)[NH2+]C)C1 ZINC000054075408 348540911 /nfs/dbraw/zinc/54/09/11/348540911.db2.gz ANYZXWAQTHNJTL-ZJUUUORDSA-N 1 0 257.334 0.331 10 0 CCAERO C[NH2+][C@H](C)C(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000054076824 348541696 /nfs/dbraw/zinc/54/16/96/348541696.db2.gz BMZMNXXOUSEWOE-SECBINFHSA-N 1 0 270.354 0.314 10 0 CCAERO [NH3+]CC1(C(=O)N[C@H]2CCCC[C@@H]2O)CCOCC1 ZINC000052008205 348503015 /nfs/dbraw/zinc/50/30/15/348503015.db2.gz XSNGBXGFPUUAOA-QWRGUYRKSA-N 1 0 256.346 0.162 10 0 CCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NCCCOc2ccccc2)C1 ZINC000052092428 348503791 /nfs/dbraw/zinc/50/37/91/348503791.db2.gz OWKCCPIQDKBSLP-ZIAGYGMSSA-N 1 0 278.352 0.949 10 0 CCAERO CC(C)(C)OC[C@@H](O)C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000052216036 348507532 /nfs/dbraw/zinc/50/75/32/348507532.db2.gz VBAYDGROMZXKMN-ZDUSSCGKSA-N 1 0 299.415 0.652 10 0 CCAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cnns3)CC2)CCO1 ZINC000068095519 348797715 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ZINC000104284727 185955027 /nfs/dbraw/zinc/95/50/27/185955027.db2.gz BKXIPUIRSRKFAS-RYUDHWBXSA-N 1 0 265.357 0.715 10 0 CCAERO CCCn1ccc(=O)n(C[C@@H]2CCCC[NH2+]2)c1=O ZINC000104289454 185956130 /nfs/dbraw/zinc/95/61/30/185956130.db2.gz VDFPIBLLCAFNSR-NSHDSACASA-N 1 0 251.330 0.562 10 0 CCAERO COCCCNC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000079566118 349184185 /nfs/dbraw/zinc/18/41/85/349184185.db2.gz JUETUINVWHVMAR-CYBMUJFWSA-N 1 0 299.415 0.918 10 0 CCAERO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCO[C@H](CO)C2)C1 ZINC000078941182 349161284 /nfs/dbraw/zinc/16/12/84/349161284.db2.gz POLGAVLWSICTAM-KBPBESRZSA-N 1 0 299.415 0.510 10 0 CCAERO CC[NH+](CC)CCNC(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC000079028520 349164389 /nfs/dbraw/zinc/16/43/89/349164389.db2.gz CMNHNIBYAPRDHL-CYBMUJFWSA-N 1 0 284.404 0.638 10 0 CCAERO CC(C)S(=O)(=O)CCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261556128 535095610 /nfs/dbraw/zinc/09/56/10/535095610.db2.gz QIRFVQGNDJQAFX-GFCCVEGCSA-N 1 0 260.403 0.495 10 0 CCAERO 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284.400 0.717 10 0 CCAERO C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CNC(=O)C2)CC[N@@H+]1C ZINC000124040973 350088306 /nfs/dbraw/zinc/08/83/06/350088306.db2.gz SGCGUTXVOOTRNT-MXWKQRLJSA-N 1 0 253.346 0.064 10 0 CCAERO CC(=O)N[C@H]1CCCN(C(=O)NC2CC[NH+](C)CC2)C1 ZINC000126456391 350147538 /nfs/dbraw/zinc/14/75/38/350147538.db2.gz IYTZBJFMYZQOFL-ZDUSSCGKSA-N 1 0 282.388 0.391 10 0 CCAERO CS(=O)(=O)NCC[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000127741261 350176559 /nfs/dbraw/zinc/17/65/59/350176559.db2.gz JGZUYXUTJAJUDY-VXGBXAGGSA-N 1 0 286.401 0.506 10 0 CCAERO O=C(C[C@H]1CSCC[NH2+]1)N1CC[C@@H](N2CCOCC2)C1 ZINC000091291304 180122602 /nfs/dbraw/zinc/12/26/02/180122602.db2.gz RFZRPNZNXJIIAD-QWHCGFSZSA-N 1 0 299.440 0.015 10 0 CCAERO CC(C)N1CCN(C(=O)C(C)(C)N2CC[NH2+]CC2)CC1 ZINC000129609144 350218298 /nfs/dbraw/zinc/21/82/98/350218298.db2.gz AAIYAHASIXDZDL-UHFFFAOYSA-N 1 0 282.432 0.223 10 0 CCAERO CN(C[C@H]1CCCOC1)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000129751628 350222239 /nfs/dbraw/zinc/22/22/39/350222239.db2.gz 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ZINC000156563965 350631137 /nfs/dbraw/zinc/63/11/37/350631137.db2.gz HHRBJLYXQTWHME-NSHDSACASA-N 1 0 263.345 0.123 10 0 CCAERO O=C1NCCN1CC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000168674736 350830155 /nfs/dbraw/zinc/83/01/55/350830155.db2.gz WBQVVRNWTNUZFK-JSGCOSHPSA-N 1 0 267.373 0.639 10 0 CCAERO Cn1cccc1C(=O)N1C[C@@H](CO)C2(C1)CC[NH2+]CC2 ZINC000169782165 350839125 /nfs/dbraw/zinc/83/91/25/350839125.db2.gz MXWJXFKYGCZXKT-LBPRGKRZSA-N 1 0 277.368 0.459 10 0 CCAERO CC[NH+](CC)CCNC(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC000170240599 350842828 /nfs/dbraw/zinc/84/28/28/350842828.db2.gz GKWBGOXNMUHCTJ-SNVBAGLBSA-N 1 0 265.361 0.368 10 0 CCAERO CCc1nnsc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170857824 350869018 /nfs/dbraw/zinc/86/90/18/350869018.db2.gz FOEPSWFOEMQXQD-MRVPVSSYSA-N 1 0 254.359 0.877 10 0 CCAERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000170861637 350869036 /nfs/dbraw/zinc/86/90/36/350869036.db2.gz GGWCQDSKICRQBY-LBPRGKRZSA-N 1 0 276.340 0.953 10 0 CCAERO CC[C@H](C)C[N@H+](C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000111253199 186378282 /nfs/dbraw/zinc/37/82/82/186378282.db2.gz IFRCODVUNULSNC-RYUDHWBXSA-N 1 0 269.389 0.688 10 0 CCAERO CCOC(=O)CCCNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170830340 350865942 /nfs/dbraw/zinc/86/59/42/350865942.db2.gz ZFUICWJPVFTYRQ-LLVKDONJSA-N 1 0 271.361 0.675 10 0 CCAERO C[NH+](C)[C@@H]1CCN(C(=O)NCc2cscn2)C1 ZINC000170835497 350866606 /nfs/dbraw/zinc/86/66/06/350866606.db2.gz LXXWIPSAYCIZPF-SNVBAGLBSA-N 1 0 254.359 0.989 10 0 CCAERO O=C(c1ccc2c(c1)C(=O)NC2=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171471270 350911082 /nfs/dbraw/zinc/91/10/82/350911082.db2.gz FLXYDNLXWMGZSG-NSHDSACASA-N 1 0 299.330 0.490 10 0 CCAERO CC(C)NC(=O)CC[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000171548462 350914783 /nfs/dbraw/zinc/91/47/83/350914783.db2.gz QWEPXNYSOXQOBA-UHFFFAOYSA-N 1 0 291.399 0.903 10 0 CCAERO O=C(NCCCN1CCCC1=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171896347 350940833 /nfs/dbraw/zinc/94/08/33/350940833.db2.gz CHXYMGGHVLJRHU-ZDUSSCGKSA-N 1 0 294.399 0.489 10 0 CCAERO C[C@H](C(=O)NC[C@@H]1CCCO1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171639907 350924214 /nfs/dbraw/zinc/92/42/14/350924214.db2.gz GUBIBLXLFVXUCQ-MCIONIFRSA-N 1 0 281.400 0.450 10 0 CCAERO Cc1csc(=O)n1CCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171642269 350924232 /nfs/dbraw/zinc/92/42/32/350924232.db2.gz NZQUCFMUZBYANP-GFCCVEGCSA-N 1 0 267.398 0.998 10 0 CCAERO O=S(=O)(C[C@@H]1CCOC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171770718 350933381 /nfs/dbraw/zinc/93/33/81/350933381.db2.gz WQGKAKQGYZRJQO-NEPJUHHUSA-N 1 0 274.386 0.133 10 0 CCAERO CC(C)CS(=O)(=O)CCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170865911 350870034 /nfs/dbraw/zinc/87/00/34/350870034.db2.gz ZBWTZMOIFGABBS-GFCCVEGCSA-N 1 0 290.429 0.610 10 0 CCAERO COC(=O)NCCCC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000170965436 350877391 /nfs/dbraw/zinc/87/73/91/350877391.db2.gz VJGHPRBRQLQKKT-GFCCVEGCSA-N 1 0 283.372 0.819 10 0 CCAERO CC(C)N1CC[C@H](NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C1=O ZINC000172234429 350968520 /nfs/dbraw/zinc/96/85/20/350968520.db2.gz VDKNBXFLIKBSBO-OLZOCXBDSA-N 1 0 294.399 0.485 10 0 CCAERO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCNC(=O)C1 ZINC000172613352 350998522 /nfs/dbraw/zinc/99/85/22/350998522.db2.gz LKELXOOVLJSFTQ-LLVKDONJSA-N 1 0 253.346 0.208 10 0 CCAERO C[NH+](C)C[C@H]1CN(C(=O)c2cncc(O)c2)CCO1 ZINC000172081481 350957387 /nfs/dbraw/zinc/95/73/87/350957387.db2.gz MMSWQSZISODKQZ-LBPRGKRZSA-N 1 0 265.313 0.190 10 0 CCAERO Cc1nc(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)no1 ZINC000173503980 351042102 /nfs/dbraw/zinc/04/21/02/351042102.db2.gz MGYRIYUCMZYSHO-SNVBAGLBSA-N 1 0 265.317 0.368 10 0 CCAERO C(CN1CCOCC1)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173922419 351061882 /nfs/dbraw/zinc/06/18/82/351061882.db2.gz QOKPGZOETOMZOS-HNNXBMFYSA-N 1 0 283.416 0.115 10 0 CCAERO CN(CC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(N)=O ZINC000174997248 351113267 /nfs/dbraw/zinc/11/32/67/351113267.db2.gz FENHNCARXFSKPK-UHFFFAOYSA-N 1 0 296.415 0.910 10 0 CCAERO CC[C@@H](O)C[NH+]1CCN(Cc2ccc(C(=O)OC)o2)CC1 ZINC000174078605 351069402 /nfs/dbraw/zinc/06/94/02/351069402.db2.gz PIMHALMLXVHEFP-GFCCVEGCSA-N 1 0 296.367 0.955 10 0 CCAERO CC(C)c1nnnn1CC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000174199546 351074908 /nfs/dbraw/zinc/07/49/08/351074908.db2.gz KGVMQFXFIMFZEY-NSHDSACASA-N 1 0 278.360 0.103 10 0 CCAERO CC[N@H+](C)C[C@H]1CCN(C(=O)C2=NNC(=O)CC2)C1 ZINC000174505364 351088679 /nfs/dbraw/zinc/08/86/79/351088679.db2.gz IFRBHKFAWCUZLC-SNVBAGLBSA-N 1 0 266.345 0.053 10 0 CCAERO C[NH+](C)CCCNC(=O)[C@@H]1CCCn2ccnc21 ZINC000175919843 351148596 /nfs/dbraw/zinc/14/85/96/351148596.db2.gz BCIBADPOIYADCB-LLVKDONJSA-N 1 0 250.346 0.828 10 0 CCAERO CCOCCNC(=O)CN1CC[C@H](c2cnn(C)c2)C1 ZINC000175975247 351151896 /nfs/dbraw/zinc/15/18/96/351151896.db2.gz JORJONVUDXONTQ-LBPRGKRZSA-N 1 0 280.372 0.362 10 0 CCAERO COCCOCCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000176507927 351177129 /nfs/dbraw/zinc/17/71/29/351177129.db2.gz ZGRYOWFCOVRXOP-STQMWFEESA-N 1 0 287.404 0.677 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC000176982532 351189954 /nfs/dbraw/zinc/18/99/54/351189954.db2.gz CDCQXUKYSNNMPW-OLZOCXBDSA-N 1 0 269.389 0.260 10 0 CCAERO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000177282359 351199775 /nfs/dbraw/zinc/19/97/75/351199775.db2.gz YJUIQOXYKVPAEH-ZQDZILKHSA-N 1 0 297.443 0.942 10 0 CCAERO C[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@@H]1N1CCOCC1 ZINC000177275001 351199900 /nfs/dbraw/zinc/19/99/00/351199900.db2.gz NMYMHTJMJZBIFL-OLZOCXBDSA-N 1 0 283.416 0.554 10 0 CCAERO CN1CCO[C@H](CNC(=O)C(C)(Cl)Cl)C1 ZINC000180192774 351280667 /nfs/dbraw/zinc/28/06/67/351280667.db2.gz MYLJMQBWNUYRGM-SSDOTTSWSA-N 1 0 255.145 0.627 10 0 CCAERO C[C@@]1(C(=O)NCCCN2CCOC2=O)CCCC[NH2+]1 ZINC000180947345 351296200 /nfs/dbraw/zinc/29/62/00/351296200.db2.gz IZQMIBLDSJBSEB-ZDUSSCGKSA-N 1 0 269.345 0.477 10 0 CCAERO CC[C@H]1CN(Cc2c[nH]cn2)CC[N@@H+]1CCOC ZINC000179512387 351270206 /nfs/dbraw/zinc/27/02/06/351270206.db2.gz KSRQCYBVXSARMC-ZDUSSCGKSA-N 1 0 252.362 0.952 10 0 CCAERO CC(=O)N[C@@H](CC(C)C)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000183122578 351376304 /nfs/dbraw/zinc/37/63/04/351376304.db2.gz MWJTXQJLOMEKLC-KBPBESRZSA-N 1 0 299.415 0.326 10 0 CCAERO CNC(=O)[C@H]([NH2+]C[C@H](O)COCc1ccccc1)C(C)C ZINC000183658251 351386381 /nfs/dbraw/zinc/38/63/81/351386381.db2.gz LIMLTRIDOBGXQG-LSDHHAIUSA-N 1 0 294.395 0.924 10 0 CCAERO Cc1cnn(CCNC(=O)NCC2CC[NH+](C)CC2)c1 ZINC000118072248 186764236 /nfs/dbraw/zinc/76/42/36/186764236.db2.gz HKDHXLFPCODRAS-UHFFFAOYSA-N 1 0 279.388 0.833 10 0 CCAERO Cc1cc(N2CCC[C@H]([NH2+][C@H]3CCOC3)C2=O)n(C)n1 ZINC000182338272 351358673 /nfs/dbraw/zinc/35/86/73/351358673.db2.gz SZGWSQJRQNOJJB-RYUDHWBXSA-N 1 0 278.356 0.602 10 0 CCAERO COCc1nc(CN2CCC[N@@H+](C3CC3)CC2)no1 ZINC000182419460 351362983 /nfs/dbraw/zinc/36/29/83/351362983.db2.gz VVSPTSUFOYNJTP-UHFFFAOYSA-N 1 0 266.345 0.886 10 0 CCAERO COc1cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)on1 ZINC000184781874 351421668 /nfs/dbraw/zinc/42/16/68/351421668.db2.gz RVCODAKQKWKJRE-NXEZZACHSA-N 1 0 265.313 0.992 10 0 CCAERO C[C@H](C(=O)N(C[C@H]1CCC[NH2+]1)C1CC1)S(C)(=O)=O ZINC000186487433 351497947 /nfs/dbraw/zinc/49/79/47/351497947.db2.gz DRSPXDQKWBBLFD-NXEZZACHSA-N 1 0 274.386 0.163 10 0 CCAERO O=C1NCCN1C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000119256797 186813876 /nfs/dbraw/zinc/81/38/76/186813876.db2.gz ORPWDWDHQTVRRJ-QWHCGFSZSA-N 1 0 267.373 0.780 10 0 CCAERO CCCCOC(=O)[C@H](C)N1CCO[C@H](C[NH+](C)C)C1 ZINC000119301789 186817505 /nfs/dbraw/zinc/81/75/05/186817505.db2.gz DWYAIUAALQSXHC-QWHCGFSZSA-N 1 0 272.389 0.981 10 0 CCAERO COC(=O)c1coc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000186304789 351490126 /nfs/dbraw/zinc/49/01/26/351490126.db2.gz HZBIQKCDGULOQJ-NSHDSACASA-N 1 0 278.308 0.986 10 0 CCAERO Cc1cc(N2CC[NH+](CCC(=O)NC(C)C)CC2)n[nH]1 ZINC000187225170 351535051 /nfs/dbraw/zinc/53/50/51/351535051.db2.gz RICYCIGOOVVKCL-UHFFFAOYSA-N 1 0 279.388 0.755 10 0 CCAERO COC(=O)c1cc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)ncn1 ZINC000603297258 363053423 /nfs/dbraw/zinc/05/34/23/363053423.db2.gz 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/nfs/dbraw/zinc/83/62/98/351836298.db2.gz CUVQSMYJVJAIDO-UPJWGTAASA-N 1 0 253.390 0.785 10 0 CCAERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)NC1CCC(O)CC1 ZINC000193027189 351808353 /nfs/dbraw/zinc/80/83/53/351808353.db2.gz OVMASFXEXFMVRM-JXQTWKCFSA-N 1 0 299.415 0.436 10 0 CCAERO CCCNC(=O)CN(C)C(=O)C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000193122666 351812536 /nfs/dbraw/zinc/81/25/36/351812536.db2.gz VKUCRVHORJRGKG-VXGBXAGGSA-N 1 0 285.388 0.128 10 0 CCAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)N(C)C)CC2)CCO1 ZINC000194272143 351861649 /nfs/dbraw/zinc/86/16/49/351861649.db2.gz IKTLBNYFAMHYPR-LLVKDONJSA-N 1 0 255.362 0.853 10 0 CCAERO Cn1cc(CC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cn1 ZINC000194851156 351888564 /nfs/dbraw/zinc/88/85/64/351888564.db2.gz GOQVBHJWHKRYBP-ZDUSSCGKSA-N 1 0 262.357 0.659 10 0 CCAERO C[N@@H+](Cc1cccnc1)C[C@@H]1CCN([C@@H]2CCNC2=O)C1 ZINC000195270943 351906763 /nfs/dbraw/zinc/90/67/63/351906763.db2.gz ATLXXFATDZQLEH-LSDHHAIUSA-N 1 0 288.395 0.724 10 0 CCAERO CN(Cc1cccnc1)C[C@@H]1CC[N@H+](CCOCCO)C1 ZINC000195271220 351907157 /nfs/dbraw/zinc/90/71/57/351907157.db2.gz GLNCJURXBAEGQM-INIZCTEOSA-N 1 0 293.411 0.844 10 0 CCAERO O=C(C[NH+]1CCC(c2cc[nH]n2)CC1)N1CCNC1=O ZINC000195506136 351916247 /nfs/dbraw/zinc/91/62/47/351916247.db2.gz APNSMNQCBUTRGY-UHFFFAOYSA-N 1 0 277.328 0.141 10 0 CCAERO COC[C@@H](C[NH2+]Cc1c(C)nn(C)c1OC)OC ZINC000227705012 352058067 /nfs/dbraw/zinc/05/80/67/352058067.db2.gz IJKIPOKAMROSCU-SNVBAGLBSA-N 1 0 257.334 0.488 10 0 CCAERO CCCCOC[C@@H](O)C[NH2+]C[C@@]1(OC)CCOC1 ZINC000227896227 352062932 /nfs/dbraw/zinc/06/29/32/352062932.db2.gz CGADLIUBEAEZAT-STQMWFEESA-N 1 0 261.362 0.559 10 0 CCAERO C[C@H](NC(=O)C[C@H]1CCC[NH2+]C1)C(=O)N1CCCC1 ZINC000228122212 352069029 /nfs/dbraw/zinc/06/90/29/352069029.db2.gz CVFXCYSCEGPFCE-NWDGAFQWSA-N 1 0 267.373 0.503 10 0 CCAERO CCN(CCCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1ccccc1 ZINC000226827721 352034393 /nfs/dbraw/zinc/03/43/93/352034393.db2.gz GTIOLQRVNHVNTI-HUUCEWRRSA-N 1 0 291.395 0.742 10 0 CCAERO COC(=O)c1cnc(N2CC[N@@H+]3CCCC[C@@H]3C2)cn1 ZINC000231132099 352126781 /nfs/dbraw/zinc/12/67/81/352126781.db2.gz VXJJBYSQZIHGPL-LLVKDONJSA-N 1 0 276.340 0.938 10 0 CCAERO C[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@@H]1[NH+](C)C ZINC000229729564 352096295 /nfs/dbraw/zinc/09/62/95/352096295.db2.gz YXDGVLUNYQMNEV-PWSUYJOCSA-N 1 0 263.341 0.407 10 0 CCAERO CCN(C)C(=O)[C@H](C)[NH2+]C[C@H](O)COCc1ccco1 ZINC000231850869 352136292 /nfs/dbraw/zinc/13/62/92/352136292.db2.gz KZWKYFZIHIGOOL-RYUDHWBXSA-N 1 0 284.356 0.614 10 0 CCAERO NC(=O)[C@H]([NH3+])CNc1ccccc1Br ZINC000232437350 352144367 /nfs/dbraw/zinc/14/43/67/352144367.db2.gz SRCHYGSPOLHLIW-SSDOTTSWSA-N 1 0 258.119 0.674 10 0 CCAERO CCNC(=O)NC(=O)[C@H](C)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246186928 352353030 /nfs/dbraw/zinc/35/30/30/352353030.db2.gz LQLBLJDFIWKSBN-RYUDHWBXSA-N 1 0 282.388 0.391 10 0 CCAERO C[C@H](O)C[N@@H+]1CCN(Cc2ccnn2C)C[C@@H]1C ZINC000245690939 352334082 /nfs/dbraw/zinc/33/40/82/352334082.db2.gz BKUPBXIMZUANIO-RYUDHWBXSA-N 1 0 252.362 0.307 10 0 CCAERO CCc1nnc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)nn21 ZINC000246046447 352345843 /nfs/dbraw/zinc/34/58/43/352345843.db2.gz BPOZJJHBDWQNFR-NSHDSACASA-N 1 0 272.356 0.971 10 0 CCAERO C[C@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1N1CCOCC1 ZINC000246087575 352347769 /nfs/dbraw/zinc/34/77/69/352347769.db2.gz GMQOWUKGUJBGLE-UONOGXRCSA-N 1 0 281.400 0.261 10 0 CCAERO CCOC[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000246150967 352350896 /nfs/dbraw/zinc/35/08/96/352350896.db2.gz HHHHMHSPEIMQNK-CHWSQXEVSA-N 1 0 297.399 0.069 10 0 CCAERO CC(C)CNC(=O)C[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000246431086 352366792 /nfs/dbraw/zinc/36/67/92/352366792.db2.gz LFXVAMRJCZRVJI-UONOGXRCSA-N 1 0 283.416 0.411 10 0 CCAERO O=C(C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1)NC[C@H]1CCCO1 ZINC000246689619 352379318 /nfs/dbraw/zinc/37/93/18/352379318.db2.gz MVDUPMXPSCWURP-MCIONIFRSA-N 1 0 282.384 0.783 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H](C(=O)NC)C2)C1 ZINC000246795149 352383433 /nfs/dbraw/zinc/38/34/33/352383433.db2.gz SCMSESUBGHKLSG-OLZOCXBDSA-N 1 0 296.415 0.638 10 0 CCAERO CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246999767 352393013 /nfs/dbraw/zinc/39/30/13/352393013.db2.gz NWGHWHXHYLGBTL-CHWSQXEVSA-N 1 0 269.389 0.308 10 0 CCAERO C[C@H]1CCCCN1C(=O)CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000247043057 352394981 /nfs/dbraw/zinc/39/49/81/352394981.db2.gz DXANKIOANYNDDU-KBPBESRZSA-N 1 0 283.416 0.650 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCNC(=O)C1CC1 ZINC000247055321 352396046 /nfs/dbraw/zinc/39/60/46/352396046.db2.gz HDLHWSHTEWZFLI-YPMHNXCESA-N 1 0 294.399 0.391 10 0 CCAERO CCCNC(=O)[C@H](C)N1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000247380121 352411923 /nfs/dbraw/zinc/41/19/23/352411923.db2.gz VUZCGKRRFKWMAF-IHRRRGAJSA-N 1 0 285.432 0.678 10 0 CCAERO CCNC(=O)NC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248024779 352430148 /nfs/dbraw/zinc/43/01/48/352430148.db2.gz ORDHKCOPTXAFCE-SMDDNHRTSA-N 1 0 283.372 0.459 10 0 CCAERO CCCCCNC(=O)CN1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000247230061 352405271 /nfs/dbraw/zinc/40/52/71/352405271.db2.gz RGQJWYRVBMPNLO-KGLIPLIRSA-N 1 0 285.432 0.680 10 0 CCAERO CCOC(=O)NCCC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248571060 352445615 /nfs/dbraw/zinc/44/56/15/352445615.db2.gz CPNHTHWOFRLZDU-DCAQKATOSA-N 1 0 269.345 0.318 10 0 CCAERO CCN(CC1CC1)S(=O)(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000248640657 352450903 /nfs/dbraw/zinc/45/09/03/352450903.db2.gz MHTDDUJQNNUZJD-GFCCVEGCSA-N 1 0 275.418 0.599 10 0 CCAERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)N(C)C ZINC000248815162 352460343 /nfs/dbraw/zinc/46/03/43/352460343.db2.gz KWXCNHNUFCLRGS-GXTWGEPZSA-N 1 0 297.424 0.903 10 0 CCAERO CC[C@H](O)C[NH+]1CCN(C[C@@H]2CC[C@@H](C)O2)CC1 ZINC000248879934 352464145 /nfs/dbraw/zinc/46/41/45/352464145.db2.gz GAEOVSULDIVDMY-RDBSUJKOSA-N 1 0 256.390 0.942 10 0 CCAERO CSC[C@H](O)C[N@@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000249132775 352479120 /nfs/dbraw/zinc/47/91/20/352479120.db2.gz FYCRTTFLQASCDV-CQSZACIVSA-N 1 0 298.456 0.652 10 0 CCAERO [NH3+][C@H]1[C@@H](N2C(=O)c3ccccc3C2=O)[C@@H]2OCCC[C@@H]12 ZINC000250846294 352508293 /nfs/dbraw/zinc/50/82/93/352508293.db2.gz IRPIKBFHGSBEGB-UMSGYPCISA-N 1 0 272.304 0.787 10 0 CCAERO Cn1c2ccccc2nc1N1CCN(C)C[C@H]1C[NH3+] ZINC000250811561 352508443 /nfs/dbraw/zinc/50/84/43/352508443.db2.gz XOONJXJFEHZKNG-LLVKDONJSA-N 1 0 259.357 0.652 10 0 CCAERO COC[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1C(=O)N(C)C ZINC000253401492 352533201 /nfs/dbraw/zinc/53/32/01/352533201.db2.gz FRIPIYUBZVKUFN-UONOGXRCSA-N 1 0 294.399 0.511 10 0 CCAERO O=C(N1CCN([C@@H]2CC[NH2+]C2)CC1)C(F)(F)F ZINC000257656258 352553700 /nfs/dbraw/zinc/55/37/00/352553700.db2.gz FKECKQIBKDDYMR-MRVPVSSYSA-N 1 0 251.252 0.055 10 0 CCAERO Cc1cc(C)c(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c(=O)[nH]1 ZINC000266830932 352724405 /nfs/dbraw/zinc/72/44/05/352724405.db2.gz IBUMVHDPZDCKGF-LBPRGKRZSA-N 1 0 293.367 0.807 10 0 CCAERO [NH3+][C@H](CNC(=O)Cn1ncc(=O)c2ccccc21)C1CC1 ZINC000137400116 187897209 /nfs/dbraw/zinc/89/72/09/187897209.db2.gz SGYHCRQYJSROGL-GFCCVEGCSA-N 1 0 286.335 0.250 10 0 CCAERO CCn1nccc1S(=O)(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000274508599 353136693 /nfs/dbraw/zinc/13/66/93/353136693.db2.gz UFPMXBRWHHNNNF-JTQLQIEISA-N 1 0 272.374 0.228 10 0 CCAERO CSCC[C@@H]([NH3+])C(=O)N[C@@H](C)C(=O)NCc1ccco1 ZINC000157250579 188305897 /nfs/dbraw/zinc/30/58/97/188305897.db2.gz SHBPUXZDZPICBR-GXSJLCMTSA-N 1 0 299.396 0.481 10 0 CCAERO COc1ccc([C@H](CCO)NC(=O)[C@H](C)[NH3+])cc1 ZINC000158108682 188357917 /nfs/dbraw/zinc/35/79/17/188357917.db2.gz MUEOYXFXOCVCQL-CABZTGNLSA-N 1 0 252.314 0.582 10 0 CCAERO NC(=O)[C@]1(O)CCC[N@H+](C[C@H](O)c2ccccc2)C1 ZINC000286297665 353575443 /nfs/dbraw/zinc/57/54/43/353575443.db2.gz UFRDFCSGOWRYBY-JSGCOSHPSA-N 1 0 264.325 0.032 10 0 CCAERO O=C(C(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccc(O)cc1 ZINC000287715277 353663711 /nfs/dbraw/zinc/66/37/11/353663711.db2.gz YIAWJIUOAASTPV-LBPRGKRZSA-N 1 0 274.320 0.882 10 0 CCAERO [NH3+][C@H]1CC(=O)N(c2cncc(Br)c2)C1 ZINC000301002251 354068747 /nfs/dbraw/zinc/06/87/47/354068747.db2.gz WBJHVHKYDNDUNE-ZETCQYMHSA-N 1 0 256.103 0.908 10 0 CCAERO Cc1nc(NCC[C@H](C)[NH3+])sc1S(N)(=O)=O ZINC000304459154 354117499 /nfs/dbraw/zinc/11/74/99/354117499.db2.gz XTXPNMJZJHBGHT-YFKPBYRVSA-N 1 0 264.376 0.248 10 0 CCAERO COCC[C@H](CO)[NH2+]Cc1c(C)nn(C)c1OC ZINC000305909908 354168731 /nfs/dbraw/zinc/16/87/31/354168731.db2.gz HSHUSJLHXWEXRQ-SNVBAGLBSA-N 1 0 257.334 0.224 10 0 CCAERO CC(C)(C(=O)N[C@@H]1CCCOCC1)N1CC[NH2+]CC1 ZINC000311821551 354203890 /nfs/dbraw/zinc/20/38/90/354203890.db2.gz DTMPSIWVLOTENU-GFCCVEGCSA-N 1 0 269.389 0.356 10 0 CCAERO CCOC(=O)c1noc(CN2CC[C@H]([NH+](C)C)C2)n1 ZINC000314354813 354222584 /nfs/dbraw/zinc/22/25/84/354222584.db2.gz VMTNDDYMTPLYMI-VIFPVBQESA-N 1 0 268.317 0.382 10 0 CCAERO Cc1cc(N2CC[C@@H]([N@@H+]3CC[C@H](CCO)C3)C2=O)n(C)n1 ZINC000328611317 354236265 /nfs/dbraw/zinc/23/62/65/354236265.db2.gz OJIXZJANGGQHNH-CHWSQXEVSA-N 1 0 292.383 0.538 10 0 CCAERO O=C(C[NH2+][C@@H]1CCC(=O)NC12CCC2)N1CCC1 ZINC000328696847 202018720 /nfs/dbraw/zinc/01/87/20/202018720.db2.gz LBXJKGCBAZKWCA-SNVBAGLBSA-N 1 0 251.330 0.850 10 0 CCAERO C[C@H](CNC(=O)N[C@@H]1CCCC[NH2+]C1)CN1CCOCC1 ZINC000333527328 354760686 /nfs/dbraw/zinc/76/06/86/354760686.db2.gz HKPKLINQEHQDPB-ZIAGYGMSSA-N 1 0 298.431 0.396 10 0 CCAERO CCC1(CNC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)CCOCC1 ZINC000333622818 354764952 /nfs/dbraw/zinc/76/49/52/354764952.db2.gz RVVHBJAHHBVNSC-RYUDHWBXSA-N 1 0 285.388 0.167 10 0 CCAERO CCC[C@@H]1C[C@@H]1NC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000333746212 354787311 /nfs/dbraw/zinc/78/73/11/354787311.db2.gz JKURLYADRTWUGG-MNOVXSKESA-N 1 0 253.346 0.559 10 0 CCAERO CN(Cc1noc(C2CCCCC2)n1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333833667 354802255 /nfs/dbraw/zinc/80/22/55/354802255.db2.gz JUZIMAIRKQNGMK-RYUDHWBXSA-N 1 0 280.372 0.882 10 0 CCAERO CC[C@]1(O)CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000333856732 354806246 /nfs/dbraw/zinc/80/62/46/354806246.db2.gz 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354999867 /nfs/dbraw/zinc/99/98/67/354999867.db2.gz JOEUCCFSLZQBQS-JOYOIKCWSA-N 1 0 252.289 0.444 10 0 CCAERO CN1C(=O)CC[C@@H]1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000336505199 355116490 /nfs/dbraw/zinc/11/64/90/355116490.db2.gz AUCDBKXIWVVIJU-VXGBXAGGSA-N 1 0 265.357 0.304 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)c1nccc(CO)n1 ZINC000341403479 355666082 /nfs/dbraw/zinc/66/60/82/355666082.db2.gz VYGCYDMCGBNVAL-GFCCVEGCSA-N 1 0 250.346 0.889 10 0 CCAERO C[C@H]1C[C@@H](NC(=O)N2CCC3(CC[NH2+]3)CC2)CO1 ZINC000335367195 291072882 /nfs/dbraw/zinc/07/28/82/291072882.db2.gz DGHKSNZVTOGYNG-WDEREUQCSA-N 1 0 253.346 0.701 10 0 CCAERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)N2CC[C@@H](CO)C2)C1 ZINC000341621123 355705103 /nfs/dbraw/zinc/70/51/03/355705103.db2.gz TZDBMXJSSDLECW-GRYCIOLGSA-N 1 0 255.362 0.493 10 0 CCAERO C[N@H+](CC(=O)NCc1ccco1)[C@@H]1CCC[C@@H]1O ZINC000352667002 356046660 /nfs/dbraw/zinc/04/66/60/356046660.db2.gz JBNXCAKAUSAJRL-NEPJUHHUSA-N 1 0 252.314 0.741 10 0 CCAERO 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293.371 0.743 10 0 CCAERO CCCCOC[C@@H](O)C[NH2+]C[C@H](C)S(C)(=O)=O ZINC000564320242 291274323 /nfs/dbraw/zinc/27/43/23/291274323.db2.gz YVEBJJLDISAANC-QWRGUYRKSA-N 1 0 267.391 0.187 10 0 CCAERO COC(=O)[C@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000564471151 291282380 /nfs/dbraw/zinc/28/23/80/291282380.db2.gz QFZSLJODUICYJC-NEPJUHHUSA-N 1 0 268.357 0.788 10 0 CCAERO [NH3+]Cc1ccc(C(=O)NC[C@@H]2CN(C3CC3)CCO2)cc1 ZINC000186452208 189439084 /nfs/dbraw/zinc/43/90/84/189439084.db2.gz ISKCSHZJHPJWMZ-OAHLLOKOSA-N 1 0 289.379 0.738 10 0 CCAERO CCC[C@@]1(NC(=O)NC[C@H]2CC[NH2+]C2)CCOC1 ZINC000333733221 283746331 /nfs/dbraw/zinc/74/63/31/283746331.db2.gz WMNBBVQYQRQWAN-WCQYABFASA-N 1 0 255.362 0.854 10 0 CCAERO C[C@H]1CN(C(=O)Cn2cnc3ccccc32)C[C@H]1[NH3+] ZINC000565038263 291338754 /nfs/dbraw/zinc/33/87/54/291338754.db2.gz AYZLBADOCOCUET-WDEREUQCSA-N 1 0 258.325 0.842 10 0 CCAERO OCCN1CC[NH2+]C[C@@H]1c1cc2ccccc2nn1 ZINC000616636104 365394964 /nfs/dbraw/zinc/39/49/64/365394964.db2.gz 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HXAGQFNPJMIYHK-LOWVWBTDSA-N 1 0 256.346 0.520 10 0 CCAERO CCc1nn(C)cc1C(=O)N1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630374421 370076615 /nfs/dbraw/zinc/07/66/15/370076615.db2.gz MTDWACZTZBXNFT-IINYFYTJSA-N 1 0 280.372 0.561 10 0 CCAERO CO[C@@H]1CN(C(=O)c2c(Cl)cnn2C)[C@](C)(C[NH3+])C1 ZINC000630376403 370078350 /nfs/dbraw/zinc/07/83/50/370078350.db2.gz WHPUWWUOWDGLOL-UFBFGSQYSA-N 1 0 286.763 0.652 10 0 CCAERO CO[C@@H]1CN(C(=O)c2ncnc3[nH]ccc32)[C@@](C)(C[NH3+])C1 ZINC000630378466 370081356 /nfs/dbraw/zinc/08/13/56/370081356.db2.gz WKSIQEPCDLUSNK-LKFCYVNXSA-N 1 0 289.339 0.488 10 0 CCAERO CCCOc1nccnc1N1CCO[C@H](C[NH3+])C1 ZINC000630514978 370141582 /nfs/dbraw/zinc/14/15/82/370141582.db2.gz ZVBOEAHFCXUAND-SNVBAGLBSA-N 1 0 252.318 0.429 10 0 CCAERO CCCc1nccnc1NCC1([NH3+])CCOCC1 ZINC000630523787 370144462 /nfs/dbraw/zinc/14/44/62/370144462.db2.gz CPEIXKRMKMOBEK-UHFFFAOYSA-N 1 0 250.346 0.771 10 0 CCAERO CCCOc1nccnc1NCCOCCC[NH3+] ZINC000630535986 370155201 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CCN1CC[C@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1=O ZINC000634772711 372225249 /nfs/dbraw/zinc/22/52/49/372225249.db2.gz YQUQXCRLPLEHCG-MJVIPROJSA-N 1 0 265.357 0.113 10 0 CCAERO CC(C)N1C[C@H](NC(=O)N2CCC3(CC[NH2+]3)CC2)CC1=O ZINC000333286647 205184992 /nfs/dbraw/zinc/18/49/92/205184992.db2.gz NKJGIFREVHYNDC-GFCCVEGCSA-N 1 0 294.399 0.533 10 0 CCAERO Cc1cc(NC(=O)N2CCO[C@H](C[NH3+])C2)cn2ccnc12 ZINC000333313832 205209524 /nfs/dbraw/zinc/20/95/24/205209524.db2.gz MBDLCXFJPIIVQN-GFCCVEGCSA-N 1 0 289.339 0.834 10 0 CCAERO C[C@H](CO[C@H]1CCOC1)NC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333430251 205313802 /nfs/dbraw/zinc/31/38/02/205313802.db2.gz ULXDJHCHYHLCAO-UPJWGTAASA-N 1 0 285.388 0.622 10 0 CCAERO CO[C@@H]1COC[C@H]1[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000333495372 205372909 /nfs/dbraw/zinc/37/29/09/205372909.db2.gz BWVCUFFPEGTFJD-ZIAGYGMSSA-N 1 0 292.383 0.791 10 0 CCAERO COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH3+] ZINC000034571769 284392668 /nfs/dbraw/zinc/39/26/68/284392668.db2.gz 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CCN1CC[C@H](NC(=O)[C@H]2CCC[C@@H]2C[NH3+])C1=O ZINC000638822605 375390420 /nfs/dbraw/zinc/39/04/20/375390420.db2.gz AQINLJRRQQSJON-VWYCJHECSA-N 1 0 253.346 0.098 10 0 CCAERO CCN1CC[C@@H](NC(=O)[C@]2(C)CCCC[NH2+]2)C1=O ZINC000638824171 375391038 /nfs/dbraw/zinc/39/10/38/375391038.db2.gz FQIJJNARCARKNJ-MFKMUULPSA-N 1 0 253.346 0.256 10 0 CCAERO [NH3+][C@@H]1CC[C@H](C(=O)N[C@H]2CCN(C3CCC3)C2=O)C1 ZINC000638797647 375370917 /nfs/dbraw/zinc/37/09/17/375370917.db2.gz URRZKDSRCCAGHI-UMNHJUIQSA-N 1 0 265.357 0.383 10 0 CCAERO [NH3+][C@H](CCNC(=O)[C@@H]1CNC(=O)C1)Cc1ccccc1 ZINC000638877233 375419535 /nfs/dbraw/zinc/41/95/35/375419535.db2.gz JNNJEMOFCYHERJ-QWHCGFSZSA-N 1 0 275.352 0.199 10 0 CCAERO C[C@H](NC(=O)c1ccco1)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000638885957 375425229 /nfs/dbraw/zinc/42/52/29/375425229.db2.gz PKVGONPVNQYIMS-OUAUKWLOSA-N 1 0 279.340 0.451 10 0 CCAERO C[C@@H]1CN(C(=O)CCNC(=O)c2ccsc2)C[C@@H]1C[NH3+] ZINC000638885178 375425880 /nfs/dbraw/zinc/42/58/80/375425880.db2.gz HKYRTTNFFMVELW-PWSUYJOCSA-N 1 0 295.408 0.921 10 0 CCAERO C[C@@H]1CN(C(=O)c2cnc3sccn3c2=O)C[C@H]1C[NH3+] ZINC000638887671 375426632 /nfs/dbraw/zinc/42/66/32/375426632.db2.gz MGPMFWPDZWGENW-RKDXNWHRSA-N 1 0 292.364 0.423 10 0 CCAERO C[C@H]1CN(C(=O)CCCNC(=O)C(C)(C)C)C[C@H]1C[NH3+] ZINC000638888606 375427819 /nfs/dbraw/zinc/42/78/19/375427819.db2.gz NUEGLSBXSKIJIA-NWDGAFQWSA-N 1 0 283.416 0.982 10 0 CCAERO C[C@@H]1CN(C(=O)COCC(F)(F)F)C[C@H]1C[NH3+] ZINC000638888185 375427941 /nfs/dbraw/zinc/42/79/41/375427941.db2.gz NLNNUCFHEKENCC-HTQZYQBOSA-N 1 0 254.252 0.619 10 0 CCAERO C[C@@H]1CN(C(=O)c2sccc2-n2cnnn2)C[C@@H]1C[NH3+] ZINC000638890194 375428964 /nfs/dbraw/zinc/42/89/64/375428964.db2.gz LZUSSRJXNGIBQT-BDAKNGLRSA-N 1 0 292.368 0.391 10 0 CCAERO C[C@@H]1CN(C(=O)c2ccnc(N(C)C)c2)C[C@@H]1C[NH3+] ZINC000638891619 375430222 /nfs/dbraw/zinc/43/02/22/375430222.db2.gz GLLVRXDMUFHAKW-PWSUYJOCSA-N 1 0 262.357 0.814 10 0 CCAERO Cn1ccnc(N2CCC([C@@H]3CCC[NH2+]C3)CC2)c1=O ZINC000656608375 412835163 /nfs/dbraw/zinc/83/51/63/412835163.db2.gz JHDYEBACPSTWFD-CYBMUJFWSA-N 1 0 276.384 0.996 10 0 CCAERO [NH3+]C[C@H]1CCN(C(=O)[C@H]2CNC(=O)C2)c2ccccc21 ZINC000639070174 375559052 /nfs/dbraw/zinc/55/90/52/375559052.db2.gz DEWSDCDAXKPUAV-GHMZBOCLSA-N 1 0 273.336 0.602 10 0 CCAERO COc1cc(C[NH2+]C[C@@H]2CC(=O)N(C)C2)sn1 ZINC000639319533 375724278 /nfs/dbraw/zinc/72/42/78/375724278.db2.gz DCLBWHYIYJIVBJ-QMMMGPOBSA-N 1 0 255.343 0.720 10 0 CCAERO CC1(C)CO[C@@H](C[N@@H+]2CCC[C@@](O)(C(N)=O)C2)C1 ZINC000639640682 375880151 /nfs/dbraw/zinc/88/01/51/375880151.db2.gz XMPFSSOTMUHTES-MFKMUULPSA-N 1 0 256.346 0.114 10 0 CCAERO CCC(=O)N1CSC[C@@H]1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000334276068 206297087 /nfs/dbraw/zinc/29/70/87/206297087.db2.gz RSIAZBSDIUEDEJ-VXGBXAGGSA-N 1 0 297.424 0.605 10 0 CCAERO CC(C)n1nnnc1Cn1cc(C2CC[NH2+]CC2)nn1 ZINC000641036770 376696731 /nfs/dbraw/zinc/69/67/31/376696731.db2.gz PSCGRPGKKOLGIN-UHFFFAOYSA-N 1 0 276.348 0.361 10 0 CCAERO COC(C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)OC ZINC000037566750 284658576 /nfs/dbraw/zinc/65/85/76/284658576.db2.gz WXAJTTBVGDVVJU-SECBINFHSA-N 1 0 288.369 0.604 10 0 CCAERO COc1cc(OC)nc(N2CCC(C)([NH3+])CC2)n1 ZINC000643029211 377695822 /nfs/dbraw/zinc/69/58/22/377695822.db2.gz LZCIPOVWJMGVRJ-UHFFFAOYSA-N 1 0 252.318 0.811 10 0 CCAERO Cc1cc2ccccc2nc1NC[C@H]1C[NH2+]C[C@H]1O ZINC000643040268 377702657 /nfs/dbraw/zinc/70/26/57/377702657.db2.gz OVISTTUKEWSQIB-TZMCWYRMSA-N 1 0 257.337 0.957 10 0 CCAERO Cc1csc(=O)n1CC[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000334881336 207237796 /nfs/dbraw/zinc/23/77/96/207237796.db2.gz MLHYXHSMYZACLA-GXSJLCMTSA-N 1 0 256.371 0.921 10 0 CCAERO CC1(C)CN(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)CC[C@@H]1[NH3+] ZINC000334921017 207294599 /nfs/dbraw/zinc/29/45/99/207294599.db2.gz BCKFWOCRSUEORR-PWSUYJOCSA-N 1 0 294.399 0.519 10 0 CCAERO CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CNC(=O)C1)c1ccco1 ZINC000194882732 284937550 /nfs/dbraw/zinc/93/75/50/284937550.db2.gz AEROOQLURPTCFR-NEPJUHHUSA-N 1 0 293.367 0.915 10 0 CCAERO C[C@@H]1CN(C(=O)N2CC(C(C)(C)O)C2)C[C@@]1(C)C[NH3+] ZINC000334939237 207326621 /nfs/dbraw/zinc/32/66/21/207326621.db2.gz FIIZNPAKQZTHBQ-QMTHXVAHSA-N 1 0 269.389 0.726 10 0 CCAERO CC1CCC(OC[C@@H](O)C[NH2+]CCC(N)=O)CC1 ZINC000037891554 184543133 /nfs/dbraw/zinc/54/31/33/184543133.db2.gz NLOIZOAAMYBTGV-CXQJBGSLSA-N 1 0 258.362 0.408 10 0 CCAERO Cc1noc(CCNC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)n1 ZINC000246762923 285032047 /nfs/dbraw/zinc/03/20/47/285032047.db2.gz BWRYZOARISKXQL-PWSUYJOCSA-N 1 0 295.387 0.948 10 0 CCAERO COc1ccc(OCC(=O)N2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000423950154 533001626 /nfs/dbraw/zinc/00/16/26/533001626.db2.gz LGBGIGBEPLYXDO-GXFFZTMASA-N 1 0 264.325 0.880 10 0 CCAERO COC(=O)[C@H]1CCCN(C(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000571771442 291836014 /nfs/dbraw/zinc/83/60/14/291836014.db2.gz GQYWZBQAHLRRPX-GWCFXTLKSA-N 1 0 254.330 0.540 10 0 CCAERO O=S1(=O)N=C(O[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000051872537 285074142 /nfs/dbraw/zinc/07/41/42/285074142.db2.gz CQFHHHZFUWQMCL-SECBINFHSA-N 1 0 266.322 0.904 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)c1nnnn1C ZINC000248860624 285085621 /nfs/dbraw/zinc/08/56/21/285085621.db2.gz ADTBAHAKCVWOTR-GHMZBOCLSA-N 1 0 252.366 0.687 10 0 CCAERO C[C@@H]1CC[C@H](C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)O1 ZINC000249364686 285111703 /nfs/dbraw/zinc/11/17/03/285111703.db2.gz MFYSNDZSELUTSK-JHJVBQTASA-N 1 0 284.400 0.858 10 0 CCAERO Cc1scc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c1C ZINC000335469981 208535398 /nfs/dbraw/zinc/53/53/98/208535398.db2.gz MRDDGJDXWDUAOS-ONGXEEELSA-N 1 0 254.355 0.675 10 0 CCAERO CC(C)CCNC(=O)[C@H](C)[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000392946136 285206491 /nfs/dbraw/zinc/20/64/91/285206491.db2.gz SDCWWCJGBNDYPV-WOPDTQHZSA-N 1 0 269.389 0.794 10 0 CCAERO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000392959056 285207094 /nfs/dbraw/zinc/20/70/94/285207094.db2.gz XRWQVBNDWRLRNW-ONGXEEELSA-N 1 0 283.372 0.862 10 0 CCAERO C[C@@H]1NC(=O)CC[C@H]1[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000392959052 285207342 /nfs/dbraw/zinc/20/73/42/285207342.db2.gz XRWQVBNDWRLRNW-GXSJLCMTSA-N 1 0 283.372 0.862 10 0 CCAERO Cc1nn(C)c2ncc(C[NH2+][C@@H]3CCNC3=O)cc12 ZINC000657524253 413015982 /nfs/dbraw/zinc/01/59/82/413015982.db2.gz LNKJWRQYFNIQNH-LLVKDONJSA-N 1 0 259.313 0.255 10 0 CCAERO CCN(CC)c1ncc(C[NH2+][C@@H]2CCNC2=O)s1 ZINC000657523207 413016974 /nfs/dbraw/zinc/01/69/74/413016974.db2.gz DCIHCPSJRXOMIG-SNVBAGLBSA-N 1 0 268.386 0.967 10 0 CCAERO COc1c(C[NH2+][C@@H](C)C2(CO)CC2)c(C)nn1C ZINC000657603916 413033424 /nfs/dbraw/zinc/03/34/24/413033424.db2.gz RUYOOHPFZVTHPV-JTQLQIEISA-N 1 0 253.346 0.988 10 0 CCAERO Cc1cnc(C(=O)N2C[C@H]3COC[C@@]3(C[NH+](C)C)C2)cn1 ZINC000248091265 256691413 /nfs/dbraw/zinc/69/14/13/256691413.db2.gz FRVJDUJWVRMQPM-SWLSCSKDSA-N 1 0 290.367 0.435 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCCn1ccnn1 ZINC000183560983 388757585 /nfs/dbraw/zinc/75/75/85/388757585.db2.gz MEIZVWCYLNSTKV-ZDUSSCGKSA-N 1 0 294.403 0.794 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C)C[S@](C)=O ZINC000183638507 388759791 /nfs/dbraw/zinc/75/97/91/388759791.db2.gz FINDJUDIYPYKFN-CRTZDJKQSA-N 1 0 289.445 0.879 10 0 CCAERO CCCCCS(=O)(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000184502538 388774497 /nfs/dbraw/zinc/77/44/97/388774497.db2.gz DBVRQYUKTPMOHA-LBPRGKRZSA-N 1 0 278.418 0.769 10 0 CCAERO CC[C@H](O)CN1CCN(C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000184708441 388776820 /nfs/dbraw/zinc/77/68/20/388776820.db2.gz ZYQKXLLYGYCICS-AWEZNQCLSA-N 1 0 298.431 0.179 10 0 CCAERO C[N@@H+]1CCO[C@@H]2CCN(c3ncnc4nc[nH]c43)C[C@H]21 ZINC000284409543 388777110 /nfs/dbraw/zinc/77/71/10/388777110.db2.gz BMCQROWFHBONHT-NXEZZACHSA-N 1 0 274.328 0.262 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H]([C@@H](C)O)C2)C1 ZINC000184935538 388780708 /nfs/dbraw/zinc/78/07/08/388780708.db2.gz VAWYTHPSSDMWOE-AGIUHOORSA-N 1 0 269.389 0.883 10 0 CCAERO Cc1cc(N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)n2ncnc2n1 ZINC000285082616 388788239 /nfs/dbraw/zinc/78/82/39/388788239.db2.gz PVKHSICFOZCLQH-NEPJUHHUSA-N 1 0 288.355 0.342 10 0 CCAERO O=C(NCc1cccc(OC(F)F)c1)[C@H]1C[NH2+]CCO1 ZINC000187593798 388887819 /nfs/dbraw/zinc/88/78/19/388887819.db2.gz GYVLTPFBNGRMQZ-LLVKDONJSA-N 1 0 286.278 0.893 10 0 CCAERO CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000187998531 388907959 /nfs/dbraw/zinc/90/79/59/388907959.db2.gz KXYKOBUZNXMKMM-QJQMNWLJSA-N 1 0 288.413 0.171 10 0 CCAERO O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCCC2(C1)OCCO2 ZINC000188964159 388945901 /nfs/dbraw/zinc/94/59/01/388945901.db2.gz DGBACKQPNABVFN-VHSXEESVSA-N 1 0 258.293 0.052 10 0 CCAERO C[C@@H]1C[N@H+](CC2CCC3(CC2)OCCO3)C[C@@H](C(N)=O)O1 ZINC000190206558 388985257 /nfs/dbraw/zinc/98/52/57/388985257.db2.gz WLDPKXXYDGOPNY-YPMHNXCESA-N 1 0 298.383 0.494 10 0 CCAERO C[C@H](O)C[N@H+](C[C@H](O)COC(C)(C)C)[C@@H](C)CO ZINC000190827365 389000336 /nfs/dbraw/zinc/00/03/36/389000336.db2.gz RDAUKRSLOIVOFF-SRVKXCTJSA-N 1 0 263.378 0.226 10 0 CCAERO CCOC(=O)[C@H](C)N(C[C@H](O)CN1CCCC1=O)C1CC1 ZINC000190852738 389001283 /nfs/dbraw/zinc/00/12/83/389001283.db2.gz FKYUJQGFOUIALP-WCQYABFASA-N 1 0 298.383 0.386 10 0 CCAERO C[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)CC(=O)N1C ZINC000336917230 389032113 /nfs/dbraw/zinc/03/21/13/389032113.db2.gz NFTIGYJENCOLOR-IJLUTSLNSA-N 1 0 282.388 0.341 10 0 CCAERO CC[C@H]1CN(Cc2cocn2)CC[N@@H+]1C[C@@H](C)O ZINC000191941427 389020802 /nfs/dbraw/zinc/02/08/02/389020802.db2.gz HHJDKVVZPYEYRQ-YPMHNXCESA-N 1 0 253.346 0.952 10 0 CCAERO COCC[N@@H+]1CCN(c2ccncc2C(N)=O)C[C@H]1C ZINC000302033275 389062034 /nfs/dbraw/zinc/06/20/34/389062034.db2.gz ODNBRWTZDCJJMU-LLVKDONJSA-N 1 0 278.356 0.337 10 0 CCAERO CC[N@H+](CCO)CCNc1cnn(C)c(=O)c1Cl ZINC000302224886 389066500 /nfs/dbraw/zinc/06/65/00/389066500.db2.gz QOWRJZDPFZMGHT-UHFFFAOYSA-N 1 0 274.752 0.160 10 0 CCAERO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]C[C@H](O)COC(C)(C)C ZINC000193592109 389074011 /nfs/dbraw/zinc/07/40/11/389074011.db2.gz GSCXKCRJWWSRTH-OUAUKWLOSA-N 1 0 258.362 0.277 10 0 CCAERO CN1CCO[C@@H](CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000105144450 389085725 /nfs/dbraw/zinc/08/57/25/389085725.db2.gz DXQGEAFLNRHSHU-JSGCOSHPSA-N 1 0 296.415 0.101 10 0 CCAERO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@]1(O)CCSC1 ZINC000305709775 389087376 /nfs/dbraw/zinc/08/73/76/389087376.db2.gz JKXOYHSRUAMNQR-FZMZJTMJSA-N 1 0 284.425 0.988 10 0 CCAERO CC[C@@H]1CN(CCC(=O)OC)CC[N@@H+]1C[C@@H](C)O ZINC000105912801 389088378 /nfs/dbraw/zinc/08/83/78/389088378.db2.gz IABNMROTQQXIRN-VXGBXAGGSA-N 1 0 258.362 0.327 10 0 CCAERO CCOC(=O)[C@H](C)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862714 389088533 /nfs/dbraw/zinc/08/85/33/389088533.db2.gz DJRCBKYSOVXGLW-OLZOCXBDSA-N 1 0 286.416 0.963 10 0 CCAERO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCCCC(=O)N1 ZINC000194172134 389089760 /nfs/dbraw/zinc/08/97/60/389089760.db2.gz GBCVBOSCFFAMEO-QWHCGFSZSA-N 1 0 281.400 0.844 10 0 CCAERO O=C1c2ccccc2C(=O)N1CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000307618825 389091636 /nfs/dbraw/zinc/09/16/36/389091636.db2.gz UUSQFBYPMAWQOP-MFKMUULPSA-N 1 0 271.320 0.534 10 0 CCAERO CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@H](CO)C[C@H]2C1 ZINC000307650986 389091771 /nfs/dbraw/zinc/09/17/71/389091771.db2.gz IBSRGFUVJPIVEP-MNOVXSKESA-N 1 0 256.346 0.920 10 0 CCAERO CCCN(CC(C)C)C(=O)[C@H]([NH3+])CCS(C)(=O)=O ZINC000311051899 389101114 /nfs/dbraw/zinc/10/11/14/389101114.db2.gz IHZVIQQNTMVOAE-LLVKDONJSA-N 1 0 278.418 0.643 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CC(=O)N(C)C1 ZINC000113227547 389129321 /nfs/dbraw/zinc/12/93/21/389129321.db2.gz TVCPIPQFYITZDE-IJLUTSLNSA-N 1 0 265.357 0.160 10 0 CCAERO C[NH+](C)C[C@H]1CN(C(=O)CCc2ccccn2)CCO1 ZINC000116785419 389134567 /nfs/dbraw/zinc/13/45/67/389134567.db2.gz MJPMDBAFGVGSRP-AWEZNQCLSA-N 1 0 277.368 0.803 10 0 CCAERO CSC[C@H](C)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116785070 389134758 /nfs/dbraw/zinc/13/47/58/389134758.db2.gz IMIPOLOBZXCVEK-QWRGUYRKSA-N 1 0 260.403 0.775 10 0 CCAERO COCC[N@H+](CCO)C[C@H]1Cc2ccccc2O1 ZINC000125589252 389166193 /nfs/dbraw/zinc/16/61/93/389166193.db2.gz WZRCCWPZRCVUMZ-CYBMUJFWSA-N 1 0 251.326 0.931 10 0 CCAERO CCC[C@H]([NH3+])C(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000236877625 389176083 /nfs/dbraw/zinc/17/60/83/389176083.db2.gz OTYGBNUFOOGAAK-RYUDHWBXSA-N 1 0 255.362 0.093 10 0 CCAERO CC(C)OCCS(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000248335662 389244455 /nfs/dbraw/zinc/24/44/55/389244455.db2.gz GQLUTLQLRGXLMJ-OLZOCXBDSA-N 1 0 290.429 0.910 10 0 CCAERO C[NH+](C)C[C@H]1CN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)CCO1 ZINC000248357665 389245633 /nfs/dbraw/zinc/24/56/33/389245633.db2.gz PSZZRQZWYYOXOB-WUHRBBMRSA-N 1 0 252.358 0.822 10 0 CCAERO CCC[C@@H](C(=O)N[C@H](C)CN1CCOCC1)[NH+](C)C ZINC000136033194 389263431 /nfs/dbraw/zinc/26/34/31/389263431.db2.gz KZSRBYCNXCSVSG-OLZOCXBDSA-N 1 0 271.405 0.554 10 0 CCAERO C[C@@H]1CN(C)C[C@@H]1[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000330139444 389217674 /nfs/dbraw/zinc/21/76/74/389217674.db2.gz WGHGYLZHQBNJQR-BNOWGMLFSA-N 1 0 291.399 0.455 10 0 CCAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C1=NNC(=O)CC1 ZINC000252662167 389265891 /nfs/dbraw/zinc/26/58/91/389265891.db2.gz VPEUENOBRFUHBI-QWRGUYRKSA-N 1 0 278.356 0.338 10 0 CCAERO CCNC(=O)CC[N@@H+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000246208009 389225496 /nfs/dbraw/zinc/22/54/96/389225496.db2.gz DZGMITGZLUUJKZ-RWMBFGLXSA-N 1 0 270.373 0.781 10 0 CCAERO CC(C)N1C[C@@H](C)[C@H]([NH2+][C@H](C)CS(C)(=O)=O)C1 ZINC000246330978 389227771 /nfs/dbraw/zinc/22/77/71/389227771.db2.gz XUUYZZILAZOQHJ-IJLUTSLNSA-N 1 0 262.419 0.738 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(=O)n(C)c1 ZINC000246789900 389232242 /nfs/dbraw/zinc/23/22/42/389232242.db2.gz BKMVFSPMARUUSB-YPMHNXCESA-N 1 0 275.352 0.694 10 0 CCAERO CC[C@H](C(=O)OC)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000247013952 389235085 /nfs/dbraw/zinc/23/50/85/389235085.db2.gz CGPYSBAANGPZJK-CHWSQXEVSA-N 1 0 272.389 0.981 10 0 CCAERO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCO[C@H](CO)C1 ZINC000408379181 389343587 /nfs/dbraw/zinc/34/35/87/389343587.db2.gz JHPCIBFZPXORDY-RDBSUJKOSA-N 1 0 299.415 0.510 10 0 CCAERO COC(=O)C[C@@H]1CN(CCC[NH+]2CCCC2)CCO1 ZINC000152036396 389282878 /nfs/dbraw/zinc/28/28/78/389282878.db2.gz LXEWOGZCZSPMMP-CYBMUJFWSA-N 1 0 270.373 0.736 10 0 CCAERO CCOC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000152913530 389294660 /nfs/dbraw/zinc/29/46/60/389294660.db2.gz WTRGXVFEWCRJMD-OLZOCXBDSA-N 1 0 298.383 0.509 10 0 CCAERO CN(C(=O)Nc1ccc2c(n1)CCC2)[C@H]1C[NH2+]C[C@@H]1O ZINC000333255808 389407794 /nfs/dbraw/zinc/40/77/94/389407794.db2.gz DENMWTJMKZAPJI-RYUDHWBXSA-N 1 0 276.340 0.367 10 0 CCAERO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000333329908 389409803 /nfs/dbraw/zinc/40/98/03/389409803.db2.gz QUNYZFGMFVJSJX-CJNGLKHVSA-N 1 0 293.411 0.988 10 0 CCAERO C[C@H](CCn1cccn1)[NH2+]C[C@@H](C)N1CCOCC1 ZINC000158605576 389347619 /nfs/dbraw/zinc/34/76/19/389347619.db2.gz WRZZMJXNKDJDQD-ZIAGYGMSSA-N 1 0 266.389 0.972 10 0 CCAERO CNC(=O)C1(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000159059569 389357714 /nfs/dbraw/zinc/35/77/14/389357714.db2.gz GZICDPDNYDMCDA-QWRGUYRKSA-N 1 0 267.373 0.358 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2COCCO2)C1 ZINC000332750825 389364220 /nfs/dbraw/zinc/36/42/20/389364220.db2.gz YPSPLTUJOBXGKQ-NEPJUHHUSA-N 1 0 271.361 0.185 10 0 CCAERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc3c(c2)NC(=O)CO3)C1 ZINC000170859958 389465890 /nfs/dbraw/zinc/46/58/90/389465890.db2.gz BHXYBTINXBPIIR-NSHDSACASA-N 1 0 289.335 0.794 10 0 CCAERO CC(C)CNC(=O)NC(=O)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171642162 389478619 /nfs/dbraw/zinc/47/86/19/389478619.db2.gz HPYVMBZFSRZKRC-GFCCVEGCSA-N 1 0 282.388 0.248 10 0 CCAERO Cc1nnsc1CNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000333565103 389426405 /nfs/dbraw/zinc/42/64/05/389426405.db2.gz LUORHADFIKYGMJ-SFYZADRCSA-N 1 0 269.374 0.738 10 0 CCAERO CC[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C2)C[C@H]1N1CCOCC1 ZINC000333643029 389437610 /nfs/dbraw/zinc/43/76/10/389437610.db2.gz IOXDFNVWUDEWAE-MGPQQGTHSA-N 1 0 296.415 0.101 10 0 CCAERO O=C(C[N@@H+]1CC[C@@H](N2CCOCC2)C1)N1CCCCCC1 ZINC000173955521 389513527 /nfs/dbraw/zinc/51/35/27/389513527.db2.gz QKEHNOPLBNJLEG-OAHLLOKOSA-N 1 0 295.427 0.796 10 0 CCAERO CC[C@H](O)C[NH+]1CCN(CC(=O)N2CCC[C@@H](C)C2)CC1 ZINC000174074554 389514263 /nfs/dbraw/zinc/51/42/63/389514263.db2.gz MFCYZYQVOLAVIX-CABCVRRESA-N 1 0 297.443 0.633 10 0 CCAERO CC[C@@H](O)C[NH+]1CCN(CCOCC2CC2)CC1 ZINC000174088848 389515593 /nfs/dbraw/zinc/51/55/93/389515593.db2.gz GNIUJCWFEANJQS-CQSZACIVSA-N 1 0 256.390 0.802 10 0 CCAERO C[C@@H]1CN(CC[N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)CCO1 ZINC000373858192 389521932 /nfs/dbraw/zinc/52/19/32/389521932.db2.gz FOPMXUYFFKKWNW-CHWSQXEVSA-N 1 0 279.388 0.705 10 0 CCAERO COCCC[N@H+](C)CCNC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000174954250 389533269 /nfs/dbraw/zinc/53/32/69/389533269.db2.gz YUZXQHVDJMZCPZ-OLZOCXBDSA-N 1 0 287.404 0.821 10 0 CCAERO CC(C)OCCS(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000175115387 389535221 /nfs/dbraw/zinc/53/52/21/389535221.db2.gz GQLUTLQLRGXLMJ-QWHCGFSZSA-N 1 0 290.429 0.910 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)CCCS(C)(=O)=O ZINC000175346145 389540037 /nfs/dbraw/zinc/54/00/37/389540037.db2.gz IARPMSIJWITWDE-GFCCVEGCSA-N 1 0 262.419 0.837 10 0 CCAERO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCC(=O)N2CCCC2)C1 ZINC000175682497 389545943 /nfs/dbraw/zinc/54/59/43/389545943.db2.gz IMSCLNOQNDAQRG-OLZOCXBDSA-N 1 0 296.415 0.781 10 0 CCAERO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1nnnn1C ZINC000374208427 389557999 /nfs/dbraw/zinc/55/79/99/389557999.db2.gz LRPDUPPOBFTBMC-RYUDHWBXSA-N 1 0 264.377 0.659 10 0 CCAERO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H](C)COC ZINC000176919555 389568143 /nfs/dbraw/zinc/56/81/43/389568143.db2.gz SDTAOANGAASYQQ-NEPJUHHUSA-N 1 0 260.378 0.742 10 0 CCAERO CC(C)[C@H](O)CC(=O)NCCN1CCOCC1(C)C ZINC000178937441 389629096 /nfs/dbraw/zinc/62/90/96/389629096.db2.gz NDYPKPATBASSJN-GFCCVEGCSA-N 1 0 272.389 0.620 10 0 CCAERO Cc1cc([C@@H](C)[NH2+][C@@H]2CCc3ncnn3C2)nn1C ZINC000281999564 389644697 /nfs/dbraw/zinc/64/46/97/389644697.db2.gz CWRXVAXWMQSGJY-GHMZBOCLSA-N 1 0 260.345 0.986 10 0 CCAERO CC[C@H]1CN(Cc2ncnn2C)CC[N@@H+]1CCOC ZINC000177132292 389572467 /nfs/dbraw/zinc/57/24/67/389572467.db2.gz WRHHVWCSBFRJOG-LBPRGKRZSA-N 1 0 267.377 0.358 10 0 CCAERO CC(C)OC(=O)CC[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000177251100 389577972 /nfs/dbraw/zinc/57/79/72/389577972.db2.gz LZQPMDXBDVRUJC-KBPBESRZSA-N 1 0 284.400 0.981 10 0 CCAERO Cc1cc([C@@H](C)[NH2+][C@H]2CCc3ncnn3C2)nn1C ZINC000281999567 389645136 /nfs/dbraw/zinc/64/51/36/389645136.db2.gz CWRXVAXWMQSGJY-MNOVXSKESA-N 1 0 260.345 0.986 10 0 CCAERO CC(=O)N[C@H]1CCCN(C(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000335627175 389579862 /nfs/dbraw/zinc/57/98/62/389579862.db2.gz BPRYUZSFINTPMH-NWDGAFQWSA-N 1 0 253.346 0.241 10 0 CCAERO CN(C)C(=O)CC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000177418311 389582077 /nfs/dbraw/zinc/58/20/77/389582077.db2.gz CMVUBMMJCLKWSU-UHFFFAOYSA-N 1 0 281.400 0.988 10 0 CCAERO CCOC(=O)NCC(=O)N(C)C[C@H]1CCC[N@@H+]1CC 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CC[C@@H](O)C[NH+]1CCN(Cc2cnoc2C)CC1 ZINC000181721653 389692199 /nfs/dbraw/zinc/69/21/99/389692199.db2.gz ITLJVBZVVAETMW-CYBMUJFWSA-N 1 0 253.346 0.872 10 0 CCAERO CCN1CC[C@H]([NH2+]C[C@@H](O)COCc2ccco2)C1 ZINC000389416160 389771465 /nfs/dbraw/zinc/77/14/65/389771465.db2.gz UFUICXWIHNITTL-QWHCGFSZSA-N 1 0 268.357 0.841 10 0 CCAERO COc1c(CNCC2([NH+](C)C)CC2)c(C)nn1C ZINC000397883666 389779860 /nfs/dbraw/zinc/77/98/60/389779860.db2.gz HSWULCWRICBGIB-UHFFFAOYSA-N 1 0 252.362 0.921 10 0 CCAERO C[C@@H]1C[C@H](O)C[N@H+](CC(=O)N2CCC[C@H](C)C2)C1 ZINC000401751475 389803054 /nfs/dbraw/zinc/80/30/54/389803054.db2.gz QIWRGYDQRBMGKD-XQQFMLRXSA-N 1 0 254.374 0.948 10 0 CCAERO C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000407962285 389816721 /nfs/dbraw/zinc/81/67/21/389816721.db2.gz MTBDOVTWCUZSPW-WOPDTQHZSA-N 1 0 267.373 0.489 10 0 CCAERO COC(=O)C1CCN(C(=O)CN2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000408113280 389827075 /nfs/dbraw/zinc/82/70/75/389827075.db2.gz URHVKVJBQOGCLI-LBPRGKRZSA-N 1 0 297.399 0.034 10 0 CCAERO C[C@H]1CC[C@H](NC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000417554206 389830114 /nfs/dbraw/zinc/83/01/14/389830114.db2.gz JHMIJSJMPVBXBY-BJDJZHNGSA-N 1 0 255.362 0.445 10 0 CCAERO CCc1cc(CC)nc(NC[C@H]2C[NH2+]C[C@H]2O)n1 ZINC000420245275 389972348 /nfs/dbraw/zinc/97/23/48/389972348.db2.gz QZDGCIOXQCWSHJ-BXKDBHETSA-N 1 0 250.346 0.016 10 0 CCAERO Cc1nc2ccccc2nc1NC[C@H]1C[NH2+]C[C@@H]1O ZINC000420252280 389973882 /nfs/dbraw/zinc/97/38/82/389973882.db2.gz NQAXFXXFDBDLEM-MFKMUULPSA-N 1 0 258.325 0.930 10 0 CCAERO CNc1nc(N2CCCO[C@@H](C[NH3+])C2)nc2ccccc21 ZINC000420287182 389978300 /nfs/dbraw/zinc/97/83/00/389978300.db2.gz RFZOGRIYOAAJGA-NSHDSACASA-N 1 0 287.367 0.647 10 0 CCAERO Cc1ccc(S(=O)(=O)N(C)C2CC[NH2+]CC2)nc1 ZINC000095070673 184932203 /nfs/dbraw/zinc/93/22/03/184932203.db2.gz VZNVRWKALMSNSU-UHFFFAOYSA-N 1 0 269.370 0.763 10 0 CCAERO OC[C@@H](CC(F)F)[NH2+]C[C@@H](O)COCc1ccco1 ZINC000580192328 390228040 /nfs/dbraw/zinc/22/80/40/390228040.db2.gz 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COC[C@]1(C(=O)N[C@H]2CCC[C@@H](O)C2)CCC[NH2+]1 ZINC000643640929 390484708 /nfs/dbraw/zinc/48/47/08/390484708.db2.gz XKMOGCJUFHKYHH-LOWVWBTDSA-N 1 0 256.346 0.175 10 0 CCAERO CCO[C@@H]1CCCN(C(=O)[C@@]2(COC)CCC[NH2+]2)C1 ZINC000643642676 390486813 /nfs/dbraw/zinc/48/68/13/390486813.db2.gz SJSQFTGJEYQUSS-OCCSQVGLSA-N 1 0 270.373 0.783 10 0 CCAERO Cc1ncsc1CN(C)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649320667 390578866 /nfs/dbraw/zinc/57/88/66/390578866.db2.gz VCQNCBHGYQGLKS-SNVBAGLBSA-N 1 0 269.370 0.646 10 0 CCAERO COC[C@@]1(C(=O)NCc2scnc2C)CCC[NH2+]1 ZINC000649321900 390579821 /nfs/dbraw/zinc/57/98/21/390579821.db2.gz USRCETIJASNMFP-GFCCVEGCSA-N 1 0 269.370 0.836 10 0 CCAERO COCCC1(C(=O)N(C)Cc2cc[nH]n2)CC[NH2+]CC1 ZINC000649329740 390587426 /nfs/dbraw/zinc/58/74/26/390587426.db2.gz FNDIBVGMHAYHJD-UHFFFAOYSA-N 1 0 280.372 0.774 10 0 CCAERO Cc1nnc2n1CCN(C(=O)C[C@H]([NH3+])Cc1ccccc1)C2 ZINC000645939784 390536734 /nfs/dbraw/zinc/53/67/34/390536734.db2.gz DEOIDEMAHRZOOI-CQSZACIVSA-N 1 0 299.378 0.889 10 0 CCAERO COC[C@]1(C(=O)NC[C@H](O)C(C)(C)C)CCC[NH2+]1 ZINC000643778489 390542594 /nfs/dbraw/zinc/54/25/94/390542594.db2.gz FWJOEGNCPQQWNN-GWCFXTLKSA-N 1 0 258.362 0.278 10 0 CCAERO COC[C@@]1(C(=O)N2CCN(CC(C)C)CC2)CCC[NH2+]1 ZINC000649278785 390545675 /nfs/dbraw/zinc/54/56/75/390545675.db2.gz BIFCQFLQDMLBSZ-OAHLLOKOSA-N 1 0 283.416 0.555 10 0 CCAERO O=C(NCCc1cscn1)[C@H]1C[NH2+]CCOC1 ZINC000649285431 390550150 /nfs/dbraw/zinc/55/01/50/390550150.db2.gz ZSUPFCMNBZBLRZ-VIFPVBQESA-N 1 0 255.343 0.038 10 0 CCAERO O=C(NCC(F)(F)C(F)F)[C@@H]1C[NH2+]CCOC1 ZINC000643798252 390556656 /nfs/dbraw/zinc/55/66/56/390556656.db2.gz CJUZFOVHIQDNMX-ZCFIWIBFSA-N 1 0 258.215 0.239 10 0 CCAERO C[C@H](NC(=O)[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCCO1 ZINC000644020927 390627874 /nfs/dbraw/zinc/62/78/74/390627874.db2.gz BSXCGAHBTFQLOP-AEJSXWLSSA-N 1 0 262.300 0.915 10 0 CCAERO Cc1ncsc1C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000566975376 390663778 /nfs/dbraw/zinc/66/37/78/390663778.db2.gz BMYIWEYCKKAIBR-DTWKUNHWSA-N 1 0 253.327 0.264 10 0 CCAERO CC(C)n1cc(NC(=O)NC[C@@H]2C[NH2+]CCCO2)cn1 ZINC000570865600 390722578 /nfs/dbraw/zinc/72/25/78/390722578.db2.gz FMGMFWPTEWUXGA-LBPRGKRZSA-N 1 0 281.360 0.964 10 0 CCAERO CC(C)n1nnnc1CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000571325747 390731218 /nfs/dbraw/zinc/73/12/18/390731218.db2.gz RQWAWRRXQIPRPE-AXFHLTTASA-N 1 0 250.350 0.423 10 0 CCAERO O=C(CCc1ccccc1O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000647040931 390763589 /nfs/dbraw/zinc/76/35/89/390763589.db2.gz DEPZXJXZBDOAMX-DGCLKSJQSA-N 1 0 264.325 0.021 10 0 CCAERO CC[C@H]([NH3+])CNC(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000647069568 390769636 /nfs/dbraw/zinc/76/96/36/390769636.db2.gz BCQITQSSSOGPPX-BDAKNGLRSA-N 1 0 253.302 0.251 10 0 CCAERO C[C@H]1CN(C(=O)c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1[NH3+] ZINC000647084657 390772277 /nfs/dbraw/zinc/77/22/77/390772277.db2.gz SHUPHZCUYWYNGD-CABZTGNLSA-N 1 0 297.380 0.477 10 0 CCAERO COC(=O)[C@H]1CCCCN1C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000423757228 533376721 /nfs/dbraw/zinc/37/67/21/533376721.db2.gz LBONAWUGLPIQRE-SDDRHHMPSA-N 1 0 268.357 0.929 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccon1 ZINC000190346994 130092304 /nfs/dbraw/zinc/09/23/04/130092304.db2.gz MMGLJNRYXXOYDF-GHMZBOCLSA-N 1 0 292.339 0.698 10 0 CCAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccon1 ZINC000190347012 130092353 /nfs/dbraw/zinc/09/23/53/130092353.db2.gz MMGLJNRYXXOYDF-WDEREUQCSA-N 1 0 292.339 0.698 10 0 CCAERO CCc1nn(C)c(OC)c1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000237066816 131001919 /nfs/dbraw/zinc/00/19/19/131001919.db2.gz GWAYEAUHPMHWGN-NSHDSACASA-N 1 0 266.345 0.359 10 0 CCAERO C[C@H](C(=O)NC(N)=O)[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249569107 131122937 /nfs/dbraw/zinc/12/29/37/131122937.db2.gz NVRYZKOSOUCKQP-MIMYLULJSA-N 1 0 297.380 0.339 10 0 CCAERO C[C@H](O)c1ccc(CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1 ZINC000262164207 131195874 /nfs/dbraw/zinc/19/58/74/131195874.db2.gz YEVHURITERCFOB-GDLCADMTSA-N 1 0 278.352 0.862 10 0 CCAERO Cc1cc(C)cc(CCNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)c1 ZINC000262562788 131233845 /nfs/dbraw/zinc/23/38/45/131233845.db2.gz WVQDOQROHQAHTE-KBPBESRZSA-N 1 0 262.353 0.685 10 0 CCAERO CCC[C@@H](NC(N)=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000262593261 131238010 /nfs/dbraw/zinc/23/80/10/131238010.db2.gz SMFWCXMXKBDWSN-VXGBXAGGSA-N 1 0 278.356 0.640 10 0 CCAERO C[C@@](C[NH3+])(NC(=O)CNC(=O)c1ccccn1)C1CC1 ZINC000262615745 131241409 /nfs/dbraw/zinc/24/14/09/131241409.db2.gz GQXHVUFHIZWOBK-AWEZNQCLSA-N 1 0 276.340 0.055 10 0 CCAERO C[S@](=O)c1cccc(NC(=O)[C@H]2C[NH2+]CCO2)c1 ZINC000262641792 131245771 /nfs/dbraw/zinc/24/57/71/131245771.db2.gz ZTXKRUVMSURPHM-ZMZPIMSZSA-N 1 0 268.338 0.351 10 0 CCAERO CO[C@@H](C[NH3+])CC(=O)NCC[S@@](=O)Cc1ccccc1 ZINC000262896080 131271660 /nfs/dbraw/zinc/27/16/60/131271660.db2.gz PCRZVMRKNYIKHL-ZUOKHONESA-N 1 0 298.408 0.415 10 0 CCAERO Cc1nnc2ccc(C(=O)N3CC[C@H]([NH+](C)C)C3)cn12 ZINC000263991753 131374329 /nfs/dbraw/zinc/37/43/29/131374329.db2.gz GOKXOBJJDFJXJC-LBPRGKRZSA-N 1 0 273.340 0.814 10 0 CCAERO CNC(=O)C[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000268736062 132058414 /nfs/dbraw/zinc/05/84/14/132058414.db2.gz PZTUYKHDVGTSLX-GXTWGEPZSA-N 1 0 261.369 0.843 10 0 CCAERO [NH3+]C1CCC(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000037799591 397386317 /nfs/dbraw/zinc/38/63/17/397386317.db2.gz RLOPLDBXPXCZQL-NRXISQOPSA-N 1 0 295.427 0.827 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1c(F)c(F)cc(F)c1F ZINC000262107004 143938034 /nfs/dbraw/zinc/93/80/34/143938034.db2.gz FCPRWWCGPBFSMW-XRGYYRRGSA-N 1 0 292.232 0.553 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCC(=O)NCC(F)(F)F ZINC000393722024 397514440 /nfs/dbraw/zinc/51/44/40/397514440.db2.gz GEGGNSJIRVBOLX-JGVFFNPUSA-N 1 0 281.278 0.156 10 0 CCAERO Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000644148134 397600522 /nfs/dbraw/zinc/60/05/22/397600522.db2.gz MVRUAMQPGARMGT-ZWNOBZJWSA-N 1 0 296.392 0.960 10 0 CCAERO CO[C@H]1C[C@H](C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)N(C(C)=O)C1 ZINC000408272300 286104440 /nfs/dbraw/zinc/10/44/40/286104440.db2.gz BLOJJZLSIOGICP-RFQIPJPRSA-N 1 0 297.399 0.221 10 0 CCAERO CCOCCS(=O)(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261540109 286120797 /nfs/dbraw/zinc/12/07/97/286120797.db2.gz DNRNFEXAIQQXNU-QWRGUYRKSA-N 1 0 264.391 0.412 10 0 CCAERO C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000246387138 289340583 /nfs/dbraw/zinc/34/05/83/289340583.db2.gz ANZVDSYVYUHYCZ-NRUUGDAUSA-N 1 0 269.345 0.197 10 0 CCAERO COCCCNC(=O)CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000113518424 292357717 /nfs/dbraw/zinc/35/77/17/292357717.db2.gz ZLANAXQMJATLLA-CHWSQXEVSA-N 1 0 269.389 0.308 10 0 CCAERO CC[C@@H]1CN(C(=O)[C@@]2(COC)CCC[NH2+]2)[C@@H](C)CO1 ZINC000659329251 413420948 /nfs/dbraw/zinc/42/09/48/413420948.db2.gz VDECBESZUGXYHO-SCRDCRAPSA-N 1 0 270.373 0.781 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCC(=O)N(C)CC1 ZINC000659372391 413454620 /nfs/dbraw/zinc/45/46/20/413454620.db2.gz AYAFIPFUKQTGGT-WDEREUQCSA-N 1 0 253.346 0.065 10 0 CCAERO CN1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CCC1=O ZINC000659374487 413457950 /nfs/dbraw/zinc/45/79/50/413457950.db2.gz LTMVSNBHYUUJCC-MNOVXSKESA-N 1 0 253.346 0.195 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H]1CCN(C)C1=O ZINC000245657651 287227079 /nfs/dbraw/zinc/22/70/79/287227079.db2.gz CTNKIAPHFWABLO-FRRDWIJNSA-N 1 0 294.399 0.485 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H](C)C(=O)N(C)C ZINC000246423868 287227179 /nfs/dbraw/zinc/22/71/79/287227179.db2.gz SPPXMDWWKPEGNJ-UPJWGTAASA-N 1 0 296.415 0.731 10 0 CCAERO CC(C)N(CC(F)(F)F)C(=O)Cn1cc(C[NH3+])nn1 ZINC000123055922 411711325 /nfs/dbraw/zinc/71/13/25/411711325.db2.gz WIIDAFAKYVKEEW-UHFFFAOYSA-N 1 0 279.266 0.536 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)NCCC(=O)N1CCCCC1 ZINC000124144929 411712054 /nfs/dbraw/zinc/71/20/54/411712054.db2.gz ORIFTKZFDSEUGT-GFCCVEGCSA-N 1 0 269.389 0.879 10 0 CCAERO C[C@@H]1C[C@H](C)CN(C(=O)Cn2cc(C[NH3+])nn2)C1 ZINC000050224765 411677352 /nfs/dbraw/zinc/67/73/52/411677352.db2.gz BYYWUGUQTIZLFT-AOOOYVTPSA-N 1 0 251.334 0.241 10 0 CCAERO C[C@@H](NC(=O)Cn1cc(C[NH3+])nn1)c1ccccc1 ZINC000050224751 411677551 /nfs/dbraw/zinc/67/75/51/411677551.db2.gz MNRPVCYIMQAUIT-SNVBAGLBSA-N 1 0 259.313 0.614 10 0 CCAERO COCCCNC(=O)[C@H](C)n1cc(C(C)(C)[NH3+])nn1 ZINC000070118440 411690665 /nfs/dbraw/zinc/69/06/65/411690665.db2.gz ONVFEHZWZUMGBB-VIFPVBQESA-N 1 0 269.349 0.186 10 0 CCAERO O=C([C@H]1CC12CC[NH2+]CC2)N1CC[C@H](N2CCOCC2)C1 ZINC000070256639 411692122 /nfs/dbraw/zinc/69/21/22/411692122.db2.gz CWEIDJQIFKDZFY-UONOGXRCSA-N 1 0 293.411 0.309 10 0 CCAERO C[N@H+](CCCNC(=O)[C@@H]1CNC(=O)C1)C1CCCCC1 ZINC000110359462 411702394 /nfs/dbraw/zinc/70/23/94/411702394.db2.gz FFKDGVDIZMDKPM-LBPRGKRZSA-N 1 0 281.400 0.893 10 0 CCAERO CCc1ncnc(N2CCO[C@H]([C@H](C)[NH3+])C2)c1F ZINC000300485849 411743396 /nfs/dbraw/zinc/74/33/96/411743396.db2.gz GAPZXMAYKQWJAK-WPRPVWTQSA-N 1 0 254.309 0.731 10 0 CCAERO CC(C)(C(=O)NCC[C@H]1CCCO1)N1CC[NH2+]CC1 ZINC000131245573 411723522 /nfs/dbraw/zinc/72/35/22/411723522.db2.gz YDTSVXGZVVLZIJ-GFCCVEGCSA-N 1 0 269.389 0.356 10 0 CCAERO CCO[C@@H]1CN(c2nc(C)cnc2C)C[C@H]1C[NH3+] ZINC000405295510 411799789 /nfs/dbraw/zinc/79/97/89/411799789.db2.gz KPBYBQDGTRAATB-VXGBXAGGSA-N 1 0 250.346 0.893 10 0 CCAERO CCO[C@@H]1CN(c2nccn3c(C)nnc23)C[C@H]1C[NH3+] ZINC000405901439 411803908 /nfs/dbraw/zinc/80/39/08/411803908.db2.gz ZSKKCWKWVXIXRQ-GHMZBOCLSA-N 1 0 276.344 0.233 10 0 CCAERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2ccc(CO)cc2)C1 ZINC000284471162 196063589 /nfs/dbraw/zinc/06/35/89/196063589.db2.gz BIYMCGRLVDLEPV-UONOGXRCSA-N 1 0 251.326 0.761 10 0 CCAERO C[C@H]1CC[C@H](C(=O)N2CCC(C(N)=O)CC2)C[NH2+]1 ZINC000019506002 170818235 /nfs/dbraw/zinc/81/82/35/170818235.db2.gz YTVDRFWKAGXDNL-ONGXEEELSA-N 1 0 253.346 0.098 10 0 CCAERO C[C@H](c1ccc(S(=O)(=O)N(C)C)cc1)N1CC[NH2+]CC1 ZINC000019685528 170839579 /nfs/dbraw/zinc/83/95/79/170839579.db2.gz RLFDUYABKXAGPY-GFCCVEGCSA-N 1 0 297.424 0.903 10 0 CCAERO [NH3+]CCN1CCN(S(=O)(=O)CCc2ccccc2)CC1 ZINC000020181709 171045455 /nfs/dbraw/zinc/04/54/55/171045455.db2.gz ZRRIWGTUTHDWNT-UHFFFAOYSA-N 1 0 297.424 0.135 10 0 CCAERO [NH3+]Cc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000020188810 171053360 /nfs/dbraw/zinc/05/33/60/171053360.db2.gz QIMPMQHNNSJSRB-UHFFFAOYSA-N 1 0 274.317 0.305 10 0 CCAERO COc1ccc(C[NH3+])cc1S(=O)(=O)NC(C)C ZINC000020189629 171056172 /nfs/dbraw/zinc/05/61/72/171056172.db2.gz DFXHNNWAYOHFHB-UHFFFAOYSA-N 1 0 258.343 0.841 10 0 CCAERO Cc1ccc(C)c(NS(=O)(=O)N2CC[NH2+]CC2)c1 ZINC000020247773 171101197 /nfs/dbraw/zinc/10/11/97/171101197.db2.gz AHUBFFQUAZLQKP-UHFFFAOYSA-N 1 0 269.370 0.865 10 0 CCAERO NC(=O)[C@@H]1CCCN1C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000020294900 171135062 /nfs/dbraw/zinc/13/50/62/171135062.db2.gz YUNPGZZUSXYBBD-RYUDHWBXSA-N 1 0 261.325 0.553 10 0 CCAERO NC(=O)[C@@H]1CCCN1C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000020294903 171135583 /nfs/dbraw/zinc/13/55/83/171135583.db2.gz YUNPGZZUSXYBBD-NEPJUHHUSA-N 1 0 261.325 0.553 10 0 CCAERO COCCNC(=O)[C@@H](C)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000020358546 171157203 /nfs/dbraw/zinc/15/72/03/171157203.db2.gz RZDWRRPGJIVMHG-UONOGXRCSA-N 1 0 285.432 0.992 10 0 CCAERO CCCCNC(=O)[C@@H](C)[NH2+][C@H]1CN2CCC1CC2 ZINC000020366054 171164647 /nfs/dbraw/zinc/16/46/47/171164647.db2.gz RGJGDHPFHKNWOQ-YPMHNXCESA-N 1 0 253.390 0.975 10 0 CCAERO COc1cccc(OC[C@@H](C[NH3+])N2CCOCC2)c1 ZINC000020401038 171181957 /nfs/dbraw/zinc/18/19/57/171181957.db2.gz JAZNDQRHYGDMMU-GFCCVEGCSA-N 1 0 266.341 0.734 10 0 CCAERO COc1cc(OC)c([C@H]([NH3+])CC(N)=O)cc1OC ZINC000020578007 171256522 /nfs/dbraw/zinc/25/65/22/171256522.db2.gz IHSHTGFMGMGKIR-MRVPVSSYSA-N 1 0 254.286 0.588 10 0 CCAERO [NH3+]Cc1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000022177371 171371508 /nfs/dbraw/zinc/37/15/08/171371508.db2.gz ROMUJMLKUZNKIE-LLVKDONJSA-N 1 0 270.354 0.603 10 0 CCAERO COc1ccc(C(=O)NCCC[NH+](C)C)cc1N ZINC000022213802 171374917 /nfs/dbraw/zinc/37/49/17/171374917.db2.gz AOQULWRYTDWRBP-UHFFFAOYSA-N 1 0 251.330 0.959 10 0 CCAERO C[C@@H]1CN(S(=O)(=O)c2ccc(C[NH3+])cc2)CCO1 ZINC000022220942 171377670 /nfs/dbraw/zinc/37/76/70/171377670.db2.gz LKPMVSSENGWFHA-SNVBAGLBSA-N 1 0 270.354 0.555 10 0 CCAERO [NH3+][C@@H](Cn1cccnc1=O)c1ccc2c(c1)OCO2 ZINC000022566386 171392768 /nfs/dbraw/zinc/39/27/68/171392768.db2.gz NQUIEGLWWKAUNN-JTQLQIEISA-N 1 0 259.265 0.672 10 0 CCAERO COC[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)C1CC1 ZINC000653130460 412235389 /nfs/dbraw/zinc/23/53/89/412235389.db2.gz MKZOOINAMRLWQY-OPRDCNLKSA-N 1 0 280.290 0.926 10 0 CCAERO Cc1ccc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1O ZINC000653139155 412238160 /nfs/dbraw/zinc/23/81/60/412238160.db2.gz VJMVVVAGDTTWQY-JQWIXIFHSA-N 1 0 250.298 0.011 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc2cc[nH]c2c1 ZINC000653139297 412238312 /nfs/dbraw/zinc/23/83/12/412238312.db2.gz YZHDQSHSXNVSEO-DGCLKSJQSA-N 1 0 259.309 0.478 10 0 CCAERO O=C(Cc1c[nH]c2ccccc12)NC[C@H]1C[NH2+]C[C@H]1O ZINC000653139164 412238881 /nfs/dbraw/zinc/23/88/81/412238881.db2.gz VMTBGDFQCBEEDP-BXUZGUMPSA-N 1 0 273.336 0.407 10 0 CCAERO Cc1occc1CN(C)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000653174179 412252626 /nfs/dbraw/zinc/25/26/26/412252626.db2.gz LTPDZFRIXMHZAI-GFCCVEGCSA-N 1 0 252.314 0.782 10 0 CCAERO C[NH2+]Cc1ccc(O[C@H](C)C(=O)NC(N)=O)cc1 ZINC000034657370 171850555 /nfs/dbraw/zinc/85/05/55/171850555.db2.gz CZPPQVMUKWEGMG-MRVPVSSYSA-N 1 0 251.286 0.368 10 0 CCAERO C[NH+](C)CCCN[C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000035179228 172032606 /nfs/dbraw/zinc/03/26/06/172032606.db2.gz MDTYDIGKPSAVEE-ZDUSSCGKSA-N 1 0 275.352 0.860 10 0 CCAERO C[NH+](C)CCNc1cc2c(cc1N)OCC(=O)N2 ZINC000035452786 172205336 /nfs/dbraw/zinc/20/53/36/172205336.db2.gz VLMRJHFUZQOFAO-UHFFFAOYSA-N 1 0 250.302 0.573 10 0 CCAERO Cc1nnsc1C(=O)N1[C@H](C)C[C@@H]2C[NH2+]C[C@@H]21 ZINC000036258259 172550549 /nfs/dbraw/zinc/55/05/49/172550549.db2.gz QTVGHMSNZDCCHW-VDAHYXPESA-N 1 0 252.343 0.669 10 0 CCAERO CN(C(=O)c1ccc(F)c(F)c1)[C@@H]1C[NH2+]C[C@H]1O ZINC000036261343 172554088 /nfs/dbraw/zinc/55/40/88/172554088.db2.gz KSGGKQAWNHFFHZ-GHMZBOCLSA-N 1 0 256.252 0.370 10 0 CCAERO CN(C(=O)Cc1ccccc1Cl)[C@@H]1C[NH2+]C[C@H]1O ZINC000036261333 172554090 /nfs/dbraw/zinc/55/40/90/172554090.db2.gz JUTBYORZYKLLOD-VXGBXAGGSA-N 1 0 268.744 0.674 10 0 CCAERO CO[C@H]1C[NH2+]C[C@@H]1NS(=O)(=O)c1ccc(C)s1 ZINC000036265127 172559828 /nfs/dbraw/zinc/55/98/28/172559828.db2.gz OKEHPUKKQNTQHP-IUCAKERBSA-N 1 0 276.383 0.322 10 0 CCAERO CC(C)C[C@H]([NH3+])CNS(=O)(=O)c1ccn(C)c1 ZINC000036298759 172592347 /nfs/dbraw/zinc/59/23/47/172592347.db2.gz PKYTWPUGMQBJNU-JTQLQIEISA-N 1 0 259.375 0.677 10 0 CCAERO CN(Cc1ccncc1)S(=O)(=O)N1CCC[NH2+]CC1 ZINC000036776518 172692231 /nfs/dbraw/zinc/69/22/31/172692231.db2.gz AYYNPQNTEPDJMB-UHFFFAOYSA-N 1 0 284.385 0.054 10 0 CCAERO CC(=O)N1CCC([NH2+]C2CCN(C(N)=O)CC2)CC1 ZINC000037317999 173118153 /nfs/dbraw/zinc/11/81/53/173118153.db2.gz NYMCCKNVDVPTHJ-UHFFFAOYSA-N 1 0 268.361 0.130 10 0 CCAERO CS(=O)(=O)c1ccc(OC[C@@H](O)C[NH2+]C2CC2)cc1 ZINC000037369630 173158430 /nfs/dbraw/zinc/15/84/30/173158430.db2.gz DPDYHMKVKXGHNA-NSHDSACASA-N 1 0 285.365 0.582 10 0 CCAERO [NH3+]CCNC(=O)C(=O)Nc1cccc2cnccc21 ZINC000037372642 173161956 /nfs/dbraw/zinc/16/19/56/173161956.db2.gz TWAVVJQLZYHOFK-UHFFFAOYSA-N 1 0 258.281 0.248 10 0 CCAERO CCOC(=O)[C@@H]1CSCCN1C(=O)C1CC[NH2+]CC1 ZINC000037803800 173742828 /nfs/dbraw/zinc/74/28/28/173742828.db2.gz MQQUTULABLWEJA-NSHDSACASA-N 1 0 286.397 0.493 10 0 CCAERO NC(=O)NC[C@@H]1CCCN(C(=O)CCCCC[NH3+])C1 ZINC000037820880 173773546 /nfs/dbraw/zinc/77/35/46/173773546.db2.gz STDNBTLBZKKKSZ-NSHDSACASA-N 1 0 270.377 0.412 10 0 CCAERO CC(C)N(Cc1cccnc1)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000037822207 173775968 /nfs/dbraw/zinc/77/59/68/173775968.db2.gz LDGLMAKUTXUMDS-OLZOCXBDSA-N 1 0 263.341 0.541 10 0 CCAERO C[C@@](C(N)=O)(c1cccc(Cl)c1)N1CC[NH2+]CC1 ZINC000037951596 173892864 /nfs/dbraw/zinc/89/28/64/173892864.db2.gz FDDUIVNVPBUMCW-ZDUSSCGKSA-N 1 0 267.760 0.946 10 0 CCAERO Cc1ccc(CN(C)CC(=O)N2CC[NH2+]CC2)o1 ZINC000038031037 174024768 /nfs/dbraw/zinc/02/47/68/174024768.db2.gz MDJDKAAFMFNXPI-UHFFFAOYSA-N 1 0 251.330 0.452 10 0 CCAERO O=C([C@H]1CCCN1C1CC[NH2+]CC1)N1CCCC1 ZINC000038042789 174047228 /nfs/dbraw/zinc/04/72/28/174047228.db2.gz DGFPROFOEAVBMZ-CYBMUJFWSA-N 1 0 251.374 0.825 10 0 CCAERO C[C@H]([NH2+]CCCS(C)(=O)=O)C(=O)NC(C)(C)C ZINC000038048335 174058511 /nfs/dbraw/zinc/05/85/11/174058511.db2.gz MIMAALDCJISMEB-VIFPVBQESA-N 1 0 264.391 0.314 10 0 CCAERO C[C@H]([NH2+]C[C@@H]1COCCO1)C(=O)N1CCCCC1 ZINC000038061856 174073489 /nfs/dbraw/zinc/07/34/89/174073489.db2.gz LASRQHJLOYVRPI-NWDGAFQWSA-N 1 0 256.346 0.392 10 0 CCAERO [NH3+]Cc1cccc(NC(=O)NC[C@@H]2COCCO2)c1 ZINC000038063233 174074378 /nfs/dbraw/zinc/07/43/78/174074378.db2.gz BEWXTXULMXDMSF-GFCCVEGCSA-N 1 0 265.313 0.682 10 0 CCAERO CCOCCOC[C@@H](O)C[NH2+]CC[C@@H]1CCCO1 ZINC000038096612 174111081 /nfs/dbraw/zinc/11/10/81/174111081.db2.gz ZCVPSYHWCRBAII-STQMWFEESA-N 1 0 261.362 0.559 10 0 CCAERO CCCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)OCC)CC1 ZINC000038100991 174115960 /nfs/dbraw/zinc/11/59/60/174115960.db2.gz LJHXXFXDLQRROL-LLVKDONJSA-N 1 0 271.361 0.805 10 0 CCAERO CCOC(=O)N1CCN(C(=O)[C@@](C)([NH3+])C2CC2)CC1 ZINC000038100987 174116182 /nfs/dbraw/zinc/11/61/82/174116182.db2.gz NUFSIORWWJCZGE-ZDUSSCGKSA-N 1 0 269.345 0.415 10 0 CCAERO CCCC[C@@H]([NH3+])C(=O)N(CCC)CC(=O)N(C)C ZINC000038101160 174116342 /nfs/dbraw/zinc/11/63/42/174116342.db2.gz BTOOPVAIKJVUJF-LLVKDONJSA-N 1 0 257.378 0.831 10 0 CCAERO C[NH2+]CCCC(=O)N1CCCC[C@H]1CC(=O)OC ZINC000038101969 174118545 /nfs/dbraw/zinc/11/85/45/174118545.db2.gz VAKKVSROSUCKOX-NSHDSACASA-N 1 0 256.346 0.930 10 0 CCAERO OC[C@H](c1ccc2c(c1)OCCO2)N1CC[NH2+]CC1 ZINC000038120891 174128531 /nfs/dbraw/zinc/12/85/31/174128531.db2.gz FCHPROQNILMSBA-GFCCVEGCSA-N 1 0 264.325 0.396 10 0 CCAERO CCN(CC)c1nc[nH+]c(NN2CCN(C)CC2)c1N ZINC000040723193 174385201 /nfs/dbraw/zinc/38/52/01/174385201.db2.gz QZNGPJRNWOYPQF-UHFFFAOYSA-N 1 0 279.392 0.479 10 0 CCAERO CO[C@H](C(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1)C1CCC1 ZINC000662780864 414789215 /nfs/dbraw/zinc/78/92/15/414789215.db2.gz RZQYLXHCDOIPGU-AGIUHOORSA-N 1 0 268.357 0.391 10 0 CCAERO COC[C@]1(C(=O)N2CCC[C@H](OC)CC2)CCC[NH2+]1 ZINC000662835326 414828615 /nfs/dbraw/zinc/82/86/15/414828615.db2.gz MHWUBVYMXGXXIE-JSGCOSHPSA-N 1 0 270.373 0.783 10 0 CCAERO O=C([C@@H]1C[NH2+]CCOC1)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000662948744 414910404 /nfs/dbraw/zinc/91/04/04/414910404.db2.gz BEAIQKPFPZVOLM-ZJUUUORDSA-N 1 0 296.289 0.402 10 0 CCAERO C[NH2+][C@H](C)C(=O)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000662951685 414913182 /nfs/dbraw/zinc/91/31/82/414913182.db2.gz VQMROQQPTPGKLK-SFYZADRCSA-N 1 0 254.252 0.774 10 0 CCAERO C[C@@H]1CC[C@H](C(=O)N(C)[C@H](C[NH3+])C(F)(F)F)O1 ZINC000662987118 414935948 /nfs/dbraw/zinc/93/59/48/414935948.db2.gz QTPFVKZDPMLCOA-BWZBUEFSSA-N 1 0 254.252 0.902 10 0 CCAERO C[C@]1(C(F)F)CN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)CCO1 ZINC000663001371 414941738 /nfs/dbraw/zinc/94/17/38/414941738.db2.gz CWMLAZNYVPMIAQ-VAOFZXAKSA-N 1 0 266.263 0.569 10 0 CCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCO[C@](C)(C(F)F)C1 ZINC000663001702 414942215 /nfs/dbraw/zinc/94/22/15/414942215.db2.gz IBZSSKWJXDMPRI-LNLATYFQSA-N 1 0 262.300 0.725 10 0 CCAERO C[C@@H]1CCC[C@@H](NS(=O)(=O)N(C)CCC[NH3+])[C@@H]1C ZINC000042524869 174774509 /nfs/dbraw/zinc/77/45/09/174774509.db2.gz XHGYFXDWTVBCAV-IJLUTSLNSA-N 1 0 277.434 0.926 10 0 CCAERO NC(=S)CC[N@H+](CC(=O)NCC(F)(F)F)C1CC1 ZINC000042531567 174781998 /nfs/dbraw/zinc/78/19/98/174781998.db2.gz WHZKBHAGPBMIPS-UHFFFAOYSA-N 1 0 283.319 0.806 10 0 CCAERO CC(C)C[C@@H](C)N(C)S(=O)(=O)CCN1CC[NH2+]CC1 ZINC000042594126 174812946 /nfs/dbraw/zinc/81/29/46/174812946.db2.gz VHMAVOWBCRCFPM-CYBMUJFWSA-N 1 0 291.461 0.588 10 0 CCAERO COCCN(C(=O)C1CC[NH2+]CC1)[C@H](C)COC ZINC000042610172 174823286 /nfs/dbraw/zinc/82/32/86/174823286.db2.gz IRHPVFMJIFTOOL-LLVKDONJSA-N 1 0 258.362 0.496 10 0 CCAERO CCN(CC(F)(F)F)S(=O)(=O)C[C@@H]1CCC[NH2+]1 ZINC000042782356 174878222 /nfs/dbraw/zinc/87/82/22/174878222.db2.gz ULHZIJZELDPJJV-QMMMGPOBSA-N 1 0 274.308 0.952 10 0 CCAERO CN(C(=O)C1(C[NH3+])CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000044763007 175247152 /nfs/dbraw/zinc/24/71/52/175247152.db2.gz JQDHIEDNNFJEBI-NSHDSACASA-N 1 0 288.413 0.541 10 0 CCAERO Cc1[nH]nc(N)c1C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000045014823 175291110 /nfs/dbraw/zinc/29/11/10/175291110.db2.gz HFEBHUSMEROCRC-VIFPVBQESA-N 1 0 265.361 0.905 10 0 CCAERO C[NH2+]C[C@@H]1CCN(CC(=O)NCc2ccco2)C1 ZINC000071147088 176043134 /nfs/dbraw/zinc/04/31/34/176043134.db2.gz KCCBADWNXDZBTK-NSHDSACASA-N 1 0 251.330 0.437 10 0 CCAERO COCCN(CCC[NH3+])C(=O)c1ccccc1O ZINC000071222751 176088123 /nfs/dbraw/zinc/08/81/23/176088123.db2.gz SSNDXNAYUKKMKQ-UHFFFAOYSA-N 1 0 252.314 0.830 10 0 CCAERO CCN(c1ccnc(C(=O)N(C)C)c1)[C@@H]1CC[NH2+]C1 ZINC000071314292 176121003 /nfs/dbraw/zinc/12/10/03/176121003.db2.gz SVGKEFBHSIYJJS-GFCCVEGCSA-N 1 0 262.357 0.972 10 0 CCAERO O=C(OCc1ccccc1)N1CCC[NH2+][C@@H](CO)C1 ZINC000071864367 176280448 /nfs/dbraw/zinc/28/04/48/176280448.db2.gz SOEXIORJTTVCPB-CYBMUJFWSA-N 1 0 264.325 0.979 10 0 CCAERO CNc1nc(C2CC[NH2+]CC2)nc2c1CN(C(C)=O)CC2 ZINC000072343429 176371437 /nfs/dbraw/zinc/37/14/37/176371437.db2.gz CMWSIRRDPPNXNQ-UHFFFAOYSA-N 1 0 289.383 0.890 10 0 CCAERO CCC[C@@H](C[NH3+])CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000076675190 177055516 /nfs/dbraw/zinc/05/55/16/177055516.db2.gz HFPANULVVRZDNB-NXEZZACHSA-N 1 0 262.375 0.055 10 0 CCAERO CC(C)(C)OC(=O)N1CC[NH2+][C@@](CO)(C2CC2)C1 ZINC000685952273 545872178 /nfs/dbraw/zinc/87/21/78/545872178.db2.gz CPXAINLBOGWUFN-ZDUSSCGKSA-N 1 0 256.346 0.968 10 0 CCAERO OCCN1CCN([C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000725241176 545873967 /nfs/dbraw/zinc/87/39/67/545873967.db2.gz ATDYVNBAPGEWBY-KGLIPLIRSA-N 1 0 253.390 0.223 10 0 CCAERO CC[NH2+][C@@H](Cn1cc(S(C)(=O)=O)cn1)C(C)(C)OC ZINC000725252327 545876862 /nfs/dbraw/zinc/87/68/62/545876862.db2.gz MCZFQDGODAZXEJ-NSHDSACASA-N 1 0 289.401 0.690 10 0 CCAERO CS(=O)(=O)c1cnn(-c2ccc(C[NH3+])nc2)c1 ZINC000725251700 545876902 /nfs/dbraw/zinc/87/69/02/545876902.db2.gz FHQPNQRQKCIFOO-UHFFFAOYSA-N 1 0 252.299 0.130 10 0 CCAERO CC(C)(C)[NH2+]C[C@H](O)Cn1cc(S(C)(=O)=O)cn1 ZINC000725251752 545877085 /nfs/dbraw/zinc/87/70/85/545877085.db2.gz GKEWWWAPMRCVDS-VIFPVBQESA-N 1 0 275.374 0.036 10 0 CCAERO CS(=O)(=O)c1cnn([C@H](C[NH3+])c2ccncc2)c1 ZINC000725253478 545878894 /nfs/dbraw/zinc/87/88/94/545878894.db2.gz WDZJWPUTICKVGF-LLVKDONJSA-N 1 0 266.326 0.230 10 0 CCAERO CC(C)(C)[S@](N)(=O)=Nc1ccnn1C1C[NH2+]C1 ZINC000725258672 545881690 /nfs/dbraw/zinc/88/16/90/545881690.db2.gz WYIWNPCFZYOMQC-QGZVFWFLSA-N 1 0 257.363 0.799 10 0 CCAERO O=S1(=O)CC[C@@H]([C@H](CO)CC[NH2+]C2CCC2)C1 ZINC000725267409 545885919 /nfs/dbraw/zinc/88/59/19/545885919.db2.gz DFOPVTLKIQMXAZ-WDEREUQCSA-N 1 0 261.387 0.562 10 0 CCAERO OCCCc1cn([C@H]2CCOC3(CC[NH2+]CC3)C2)nn1 ZINC000725271933 545888366 /nfs/dbraw/zinc/88/83/66/545888366.db2.gz DXKSEDBBZCFRMH-ZDUSSCGKSA-N 1 0 280.372 0.677 10 0 CCAERO COCCNC(=O)N1C[C@@H](C)OC2(CC[NH2+]CC2)C1 ZINC000725272613 545888529 /nfs/dbraw/zinc/88/85/29/545888529.db2.gz RPHUNCFLFPUMKJ-LLVKDONJSA-N 1 0 271.361 0.185 10 0 CCAERO C[C@H](O)c1cn([C@@H]2CCOC3(CC[NH2+]CC3)C2)nn1 ZINC000725272593 545888746 /nfs/dbraw/zinc/88/87/46/545888746.db2.gz QOOHVNPCBYKVAY-WDEREUQCSA-N 1 0 266.345 0.805 10 0 CCAERO OCC[N@H+](Cc1ccccc1)[C@@H]1CCOC[C@@H]1O ZINC000725272864 545889447 /nfs/dbraw/zinc/88/94/47/545889447.db2.gz NQLHNPGFZRXCPB-KGLIPLIRSA-N 1 0 251.326 0.631 10 0 CCAERO CN1CCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])C(C)(C)C1=O ZINC000094866186 544547249 /nfs/dbraw/zinc/54/72/49/544547249.db2.gz XSQPCJLOQWTNND-MNOVXSKESA-N 1 0 267.373 0.441 10 0 CCAERO NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089449307 544513480 /nfs/dbraw/zinc/51/34/80/544513480.db2.gz XRYRZZSSIKHCGM-SKDRFNHKSA-N 1 0 297.380 0.648 10 0 CCAERO [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N1CCN(C2CC2)CC1 ZINC000089457987 544514975 /nfs/dbraw/zinc/51/49/75/544514975.db2.gz FQPWSFKOKKFDIB-AAEUAGOBSA-N 1 0 251.374 0.668 10 0 CCAERO CC[C@@H]1C(=O)NCCN1C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089462467 544515025 /nfs/dbraw/zinc/51/50/25/544515025.db2.gz PPFJPOFCXDTPMI-OUAUKWLOSA-N 1 0 253.346 0.098 10 0 CCAERO [NH3+]CCn1cc(C(=O)N[C@@H]2CCOc3ccccc32)nn1 ZINC000089699124 544516127 /nfs/dbraw/zinc/51/61/27/544516127.db2.gz RZPISEODEBWONZ-LLVKDONJSA-N 1 0 287.323 0.490 10 0 CCAERO CN(CC1([NH+](C)C)CCC1)C(=O)[C@@H]1CNC(=O)C1 ZINC000097935624 544553728 /nfs/dbraw/zinc/55/37/28/544553728.db2.gz GGBGVKKNBRWUKU-JTQLQIEISA-N 1 0 253.346 0.065 10 0 CCAERO CCCOc1nccnc1NC[C@H]1C[NH2+]C[C@@H]1O ZINC000630513049 419461095 /nfs/dbraw/zinc/46/10/95/419461095.db2.gz OIWTUXVOZDVWKX-ZJUUUORDSA-N 1 0 252.318 0.258 10 0 CCAERO CCCOc1nccnc1NCC(=O)N1CC[NH2+]CC1 ZINC000630509498 419463452 /nfs/dbraw/zinc/46/34/52/419463452.db2.gz ZTVUFSBPWYDILT-UHFFFAOYSA-N 1 0 279.344 0.109 10 0 CCAERO CC[C@H]1CN(Cc2cncnc2)CC[N@@H+]1C[C@@H](C)O ZINC000120678606 544572613 /nfs/dbraw/zinc/57/26/13/544572613.db2.gz XEMUCTGHAXCODS-OCCSQVGLSA-N 1 0 264.373 0.754 10 0 CCAERO C[C@H]1OCC[C@@H]1NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000124839579 544589622 /nfs/dbraw/zinc/58/96/22/544589622.db2.gz ARYKKBXSMYKDAE-OCCSQVGLSA-N 1 0 298.431 0.489 10 0 CCAERO O=C(C[C@@H]1CCC[NH2+]C1)NCCCn1ccnn1 ZINC000127086793 544602305 /nfs/dbraw/zinc/60/23/05/544602305.db2.gz OOPLOKIECNAMRF-NSHDSACASA-N 1 0 251.334 0.174 10 0 CCAERO CC(C)(C)NC(=O)CCNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000135365351 544635200 /nfs/dbraw/zinc/63/52/00/544635200.db2.gz HSZFAHMSUNVDHV-MNOVXSKESA-N 1 0 269.389 0.782 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000136358467 544638776 /nfs/dbraw/zinc/63/87/76/544638776.db2.gz LYGXMJVKBIHKNA-STQMWFEESA-N 1 0 291.399 0.935 10 0 CCAERO COCCN1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C[C@H]1C ZINC000168016709 544728235 /nfs/dbraw/zinc/72/82/35/544728235.db2.gz LFNXPBCFLUUORW-UPJWGTAASA-N 1 0 269.389 0.293 10 0 CCAERO Cc1c(C(=O)N2CCO[C@H](C[NH+](C)C)C2)ccn1C ZINC000195267094 544811846 /nfs/dbraw/zinc/81/18/46/544811846.db2.gz AAUPQYGMASKKKY-GFCCVEGCSA-N 1 0 265.357 0.736 10 0 CCAERO CCC[C@H](C(=O)N[C@H]1CCN(C)C(=O)C1)[NH+](C)C ZINC000190123210 544794027 /nfs/dbraw/zinc/79/40/27/544794027.db2.gz VUXZQPYQWASPHT-WDEREUQCSA-N 1 0 255.362 0.454 10 0 CCAERO CCCCOC[C@H](O)Cn1cc([C@@H]([NH3+])CC)nn1 ZINC000229934808 544849877 /nfs/dbraw/zinc/84/98/77/544849877.db2.gz HSWUSWACGGRVOF-MNOVXSKESA-N 1 0 256.350 0.866 10 0 CCAERO CCS(=O)(=O)c1ccccc1NC[C@@H]1COCC[NH2+]1 ZINC000233857922 544867086 /nfs/dbraw/zinc/86/70/86/544867086.db2.gz FIHUETYZNHQCLE-LLVKDONJSA-N 1 0 284.381 0.881 10 0 CCAERO COC[C@H](C)OC[C@H](O)C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000234838946 544873078 /nfs/dbraw/zinc/87/30/78/544873078.db2.gz CYBJJELNOVBQOO-RVMXOQNASA-N 1 0 261.362 0.149 10 0 CCAERO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000250641459 544924090 /nfs/dbraw/zinc/92/40/90/544924090.db2.gz HNIOUVIDPHOATQ-RRFJBIMHSA-N 1 0 295.427 0.827 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cnn(C)c1N ZINC000252689085 544930294 /nfs/dbraw/zinc/93/02/94/544930294.db2.gz QDQCHURNGHCCGY-UWVGGRQHSA-N 1 0 263.345 0.311 10 0 CCAERO C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261721094 544937202 /nfs/dbraw/zinc/93/72/02/544937202.db2.gz KDYRLBXKWWLXMR-WRWGMCAJSA-N 1 0 288.413 0.395 10 0 CCAERO CCc1nc(C)c(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)s1 ZINC000262065521 544938438 /nfs/dbraw/zinc/93/84/38/544938438.db2.gz BDXWEVMDKAODAO-BDAKNGLRSA-N 1 0 269.370 0.324 10 0 CCAERO COc1ccc(CCC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262094519 544939326 /nfs/dbraw/zinc/93/93/26/544939326.db2.gz DGCXWKLTBIYEBN-GXTWGEPZSA-N 1 0 278.352 0.324 10 0 CCAERO O=C(Cc1ccc2c(c1)CCCC2)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262117472 544940623 /nfs/dbraw/zinc/94/06/23/544940623.db2.gz FQVLJAUHYBNVKD-JKSUJKDBSA-N 1 0 288.391 0.804 10 0 CCAERO CCCc1ncc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)s1 ZINC000262129596 544941284 /nfs/dbraw/zinc/94/12/84/544941284.db2.gz GKENRHMNFQXIJO-BDAKNGLRSA-N 1 0 269.370 0.406 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)C12CC3CC(CC(C3)C1)C2 ZINC000262300428 544942773 /nfs/dbraw/zinc/94/27/73/544942773.db2.gz POBQUWAZWZPTFA-RGCZZKDASA-N 1 0 278.396 0.899 10 0 CCAERO CC(C)CN1CCN(C(=O)NC[C@@H]2CC[NH2+]C2)[C@H](C)C1=O ZINC000333749782 545042776 /nfs/dbraw/zinc/04/27/76/545042776.db2.gz YVFVKPPZPOZDPT-CHWSQXEVSA-N 1 0 296.415 0.494 10 0 CCAERO CN(C(=O)NC[C@H]1CCCSC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333790741 545043014 /nfs/dbraw/zinc/04/30/14/545043014.db2.gz MJSGPJWOYMKOPJ-VWYCJHECSA-N 1 0 273.402 0.104 10 0 CCAERO CNC(=O)[C@H]1CCCN1C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000333879682 545043989 /nfs/dbraw/zinc/04/39/89/545043989.db2.gz VZHVRYAQPCFMQS-GHMZBOCLSA-N 1 0 268.361 0.049 10 0 CCAERO CNC(=O)[C@H]1CCCN1C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000332861881 545035481 /nfs/dbraw/zinc/03/54/81/545035481.db2.gz DPCTWTHCBAZTLP-CHWSQXEVSA-N 1 0 279.384 0.598 10 0 CCAERO CCO[C@H]1C[C@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C12CCC2 ZINC000333141160 545038860 /nfs/dbraw/zinc/03/88/60/545038860.db2.gz DAEUCVJUJBQCFG-CYDGBPFRSA-N 1 0 297.399 0.308 10 0 CCAERO O=C(N[C@@H]1CCCNC1=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000333487696 545039718 /nfs/dbraw/zinc/03/97/18/545039718.db2.gz UJJWSMXHSBRGKW-CHWSQXEVSA-N 1 0 279.384 0.788 10 0 CCAERO C[C@@]12C[N@H+](Cc3nc(N)nc(N)n3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333739839 545042454 /nfs/dbraw/zinc/04/24/54/545042454.db2.gz VOPMBHWSJFFIBV-PUXPGTEJSA-N 1 0 274.372 0.565 10 0 CCAERO CC[C@@H](O)C[NH+]1CCN([C@@H]2CCN(C(C)C)C2=O)CC1 ZINC000175275440 261218084 /nfs/dbraw/zinc/21/80/84/261218084.db2.gz VMVCOMBZTOBPKQ-ZIAGYGMSSA-N 1 0 283.416 0.384 10 0 CCAERO NC(=O)c1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000195190776 265350661 /nfs/dbraw/zinc/35/06/61/265350661.db2.gz GBVHMPUNJAVUCJ-VIFPVBQESA-N 1 0 279.365 0.767 10 0 CCAERO C[C@H]([NH3+])CC(=O)N[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000261899695 274502530 /nfs/dbraw/zinc/50/25/30/274502530.db2.gz UVNISPDNASBINR-ONGXEEELSA-N 1 0 282.365 0.759 10 0 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CS(=O)(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000193437027 295536691 /nfs/dbraw/zinc/53/66/91/295536691.db2.gz JBSSOLUYBGTKGI-JOYOIKCWSA-N 1 0 290.335 0.960 10 0 CCAERO C[C@@H]1C[C@@H](NC(=O)CC(=O)N(C)C)C[N@@H+]1C1CC1 ZINC000177197079 297270235 /nfs/dbraw/zinc/27/02/35/297270235.db2.gz DKVUSOMNJSMRCA-NXEZZACHSA-N 1 0 253.346 0.206 10 0 CCAERO [NH3+]C[C@]12CCC[C@H]1CN(c1nccn3cnnc13)C2 ZINC000388665609 545086516 /nfs/dbraw/zinc/08/65/16/545086516.db2.gz BEGNEWYDCGODLW-GWCFXTLKSA-N 1 0 258.329 0.690 10 0 CCAERO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000408046338 298130821 /nfs/dbraw/zinc/13/08/21/298130821.db2.gz BMOMEPIDUNGPCA-OPRDCNLKSA-N 1 0 255.362 0.343 10 0 CCAERO C[C@H](NC(=O)C1(C[NH3+])CCOCC1)C(=O)N1CCCCC1 ZINC000135416946 299031122 /nfs/dbraw/zinc/03/11/22/299031122.db2.gz HMJWFCCEYWDOOF-LBPRGKRZSA-N 1 0 297.399 0.259 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N1CCOCC1 ZINC000113367066 300313131 /nfs/dbraw/zinc/31/31/31/300313131.db2.gz HHUZOEFGKBJJRM-NWDGAFQWSA-N 1 0 253.346 0.607 10 0 CCAERO [NH3+][C@@H]1CCC[C@H](NC(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)C1 ZINC000333716265 303465107 /nfs/dbraw/zinc/46/51/07/303465107.db2.gz TWJQPRWMJNTKJI-PPCPHDFISA-N 1 0 267.373 0.669 10 0 CCAERO O=C(NC1C[NH2+]C1)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000335397358 303747728 /nfs/dbraw/zinc/74/77/28/303747728.db2.gz VHKYNOLLFWBFRV-NEPJUHHUSA-N 1 0 265.357 0.701 10 0 CCAERO C[NH+](C)[C@@H]1CCN(C(=O)NCC(=O)N2CCCCC2)C1 ZINC000170829789 327664009 /nfs/dbraw/zinc/66/40/09/327664009.db2.gz OKLIPCPECPKHDU-GFCCVEGCSA-N 1 0 282.388 0.344 10 0 CCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N(C)Cc2nccs2)C1 ZINC000388747212 328205199 /nfs/dbraw/zinc/20/51/99/328205199.db2.gz JFUQGZYTEIQDHW-RKDXNWHRSA-N 1 0 255.343 0.478 10 0 CCAERO CCn1cc(CNC(=O)[C@H]2CCC[C@H]2C[NH3+])nn1 ZINC000404468400 545091586 /nfs/dbraw/zinc/09/15/86/545091586.db2.gz VSCCGVGMSXYBHL-ONGXEEELSA-N 1 0 251.334 0.289 10 0 CCAERO [NH3+]CCCC(=O)N1CCCN(Cc2cscn2)CC1 ZINC000573602574 327201149 /nfs/dbraw/zinc/20/11/49/327201149.db2.gz QSJQAMMQVQNYKK-UHFFFAOYSA-N 1 0 282.413 0.916 10 0 CCAERO OCC1(CC[NH2+]C[C@H](O)COCc2ccco2)CC1 ZINC000395900984 329301857 /nfs/dbraw/zinc/30/18/57/329301857.db2.gz ZUCWBJJERRBFLV-LBPRGKRZSA-N 1 0 269.341 0.909 10 0 CCAERO CN(C)c1ccc(C(=O)NCCCN2CC[NH2+]CC2)cc1 ZINC000035307439 330245683 /nfs/dbraw/zinc/24/56/83/330245683.db2.gz BFDHNRWOKQOZMH-UHFFFAOYSA-N 1 0 290.411 0.778 10 0 CCAERO COc1cc(OC)nc(N[C@H]2CC[C@H](C[NH3+])C2)n1 ZINC000382461880 336091061 /nfs/dbraw/zinc/09/10/61/336091061.db2.gz WWVQULHNLNZWBQ-IUCAKERBSA-N 1 0 252.318 0.455 10 0 CCAERO CC(C)NC(=O)CC[NH+]1CCC(n2cncn2)CC1 ZINC000156556140 519702574 /nfs/dbraw/zinc/70/25/74/519702574.db2.gz BEHBKWSHMIETLL-UHFFFAOYSA-N 1 0 265.361 0.830 10 0 CCAERO CC[NH2+][C@@H](C)CC(=O)NC1CCS(=O)(=O)CC1 ZINC000061269938 520063330 /nfs/dbraw/zinc/06/33/30/520063330.db2.gz JZNVOYYYMSWAHB-VIFPVBQESA-N 1 0 262.375 0.068 10 0 CCAERO C[NH2+]CCS(=O)(=O)NCc1cccc(OC)c1 ZINC000049630280 522013631 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ZINC000049632078 519722137 /nfs/dbraw/zinc/72/21/37/519722137.db2.gz ATYNGYFWMHRLLO-GHMZBOCLSA-N 1 0 264.391 0.423 10 0 CCAERO CC(C)CNC(=O)[C@H](C)[NH2+][C@@H]1CCN2CCC[C@H]12 ZINC000049568428 519740600 /nfs/dbraw/zinc/74/06/00/519740600.db2.gz SOMMSNCSBBWTKS-YNEHKIRRSA-N 1 0 253.390 0.973 10 0 CCAERO CCCNC(=O)[C@@H](C)NC(=O)[C@@]1(CC)CCC[NH2+]C1 ZINC000062854960 519888234 /nfs/dbraw/zinc/88/82/34/519888234.db2.gz GKYNINSHROIYFG-RISCZKNCSA-N 1 0 269.389 0.797 10 0 CCAERO CC[NH2+]C(C)(C)C(=O)NCCC(=O)N(CC)CC ZINC000061293396 519904974 /nfs/dbraw/zinc/90/49/74/519904974.db2.gz JKSLGJCQMFIMSU-UHFFFAOYSA-N 1 0 257.378 0.749 10 0 CCAERO CC[NH2+]C[C@@H](C)C(=O)NCCC(=O)N1CCCC1 ZINC000061267060 519934576 /nfs/dbraw/zinc/93/45/76/519934576.db2.gz OSQYOHWUZUQVAJ-LLVKDONJSA-N 1 0 255.362 0.361 10 0 CCAERO CC[NH2+]C[C@H](C)C(=O)N[C@H](C)CN1CCCC1=O ZINC000061234926 519965196 /nfs/dbraw/zinc/96/51/96/519965196.db2.gz VMWGRZBVGLIUOD-WDEREUQCSA-N 1 0 255.362 0.359 10 0 CCAERO CCOCCO[C@H]1CCN(C(=O)[C@@H]([NH3+])CCSC)C1 ZINC000157937003 520031329 /nfs/dbraw/zinc/03/13/29/520031329.db2.gz FIJIXAIUPGYIJM-RYUDHWBXSA-N 1 0 290.429 0.721 10 0 CCAERO CCN(CC(=O)N(C)C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055087497 520301208 /nfs/dbraw/zinc/30/12/08/520301208.db2.gz MCUXNFWERYZMND-QWRGUYRKSA-N 1 0 255.362 0.441 10 0 CCAERO CC1(C)NC(=O)N(Cc2[nH+]c(NN)ccc2Cl)C1=O ZINC000061639277 520603889 /nfs/dbraw/zinc/60/38/89/520603889.db2.gz BATBADNBXUHIFF-UHFFFAOYSA-N 1 0 283.719 0.851 10 0 CCAERO CCNC(=O)CN(C)C(=O)[C@@H]1CCC[C@@H](C)[C@@H]1[NH3+] ZINC000055139547 521736188 /nfs/dbraw/zinc/73/61/88/521736188.db2.gz FMSHLTLWEUWIGU-FOGDFJRCSA-N 1 0 255.362 0.344 10 0 CCAERO CN(C)c1nc(Cl)nc(NC[C@@H]2CC[N@H+](C)C2)n1 ZINC000061538156 522323487 /nfs/dbraw/zinc/32/34/87/522323487.db2.gz GUWGIIVWCHDMOV-QMMMGPOBSA-N 1 0 270.768 0.955 10 0 CCAERO CNc1ccc(C(=O)N[C@@H](C)CC[NH+](C)C)nn1 ZINC000050788263 522592633 /nfs/dbraw/zinc/59/26/33/522592633.db2.gz YEYYMAOSLFXEAT-VIFPVBQESA-N 1 0 251.334 0.588 10 0 CCAERO COC[C@H](C)NC(=O)C[NH2+][C@@H](C)CN1CCCC1 ZINC000049291015 522603109 /nfs/dbraw/zinc/60/31/09/522603109.db2.gz RRQAGOFMBXPAMF-RYUDHWBXSA-N 1 0 257.378 0.211 10 0 CCAERO CC[C@H]([NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)C(N)=O ZINC000182860472 522738579 /nfs/dbraw/zinc/73/85/79/522738579.db2.gz WVCDHJOZXHNGHZ-KCJUWKMLSA-N 1 0 285.369 0.249 10 0 CCAERO CC[C@H](Oc1ccc(OC)cc1CC[NH3+])C(N)=O ZINC000061678279 522874314 /nfs/dbraw/zinc/87/43/14/522874314.db2.gz UMZBEYCPANICQS-NSHDSACASA-N 1 0 252.314 0.839 10 0 CCAERO COC(=O)COc1ccccc1N1CC[NH2+]CC1 ZINC000058827015 523235145 /nfs/dbraw/zinc/23/51/45/523235145.db2.gz SEDRLAOIKZFNSL-UHFFFAOYSA-N 1 0 250.298 0.648 10 0 CCAERO COCCCNC(=O)C[NH2+][C@H](CN(C)C)C(C)C ZINC000049283061 523329131 /nfs/dbraw/zinc/32/91/31/523329131.db2.gz VNHGVSVLKSGAFW-GFCCVEGCSA-N 1 0 259.394 0.315 10 0 CCAERO COCC[N@H+](C)CCNC(=O)[C@@H](C(N)=S)C(C)C ZINC000061381057 523597204 /nfs/dbraw/zinc/59/72/04/523597204.db2.gz JGAAZOFNSVCQDG-SNVBAGLBSA-N 1 0 275.418 0.239 10 0 CCAERO O=C(Cc1cccs1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000367187447 534736675 /nfs/dbraw/zinc/73/66/75/534736675.db2.gz QTKYSBVZQXCFCJ-MNOVXSKESA-N 1 0 252.339 0.490 10 0 CCAERO CC[C@H](C)NC(=O)CC[NH2+]CC(=O)N(C)C1CC1 ZINC000049305108 523967493 /nfs/dbraw/zinc/96/74/93/523967493.db2.gz DNFDPKLHWIFLDG-JTQLQIEISA-N 1 0 255.362 0.502 10 0 CCAERO COCCOCCNC(=O)C[C@H]1CCC[C@H]([NH3+])C1 ZINC000055137880 524004737 /nfs/dbraw/zinc/00/47/37/524004737.db2.gz AEHLPZOZIDVYLL-RYUDHWBXSA-N 1 0 258.362 0.673 10 0 CCAERO COC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000616568911 545103105 /nfs/dbraw/zinc/10/31/05/545103105.db2.gz FAKITTFXLXYRGL-NEPJUHHUSA-N 1 0 262.309 0.421 10 0 CCAERO C[C@@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)NCCC(=O)N(C)C ZINC000055136040 524601595 /nfs/dbraw/zinc/60/15/95/524601595.db2.gz ZMKUKAXRGOEIDN-MXWKQRLJSA-N 1 0 255.362 0.344 10 0 CCAERO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCNC2=O)C[C@@H]1[NH3+] ZINC000055131402 524635727 /nfs/dbraw/zinc/63/57/27/524635727.db2.gz RHQPRCHDTPNCIM-VPOLOUISSA-N 1 0 253.346 0.145 10 0 CCAERO C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2)CC[NH2+]1 ZINC000052783396 524671982 /nfs/dbraw/zinc/67/19/82/524671982.db2.gz GDVRCENOULDHEK-VIFPVBQESA-N 1 0 255.343 0.132 10 0 CCAERO C[C@H](NC(=O)[C@@H]1CCC[C@H](C)[C@H]1[NH3+])C(=O)N(C)C ZINC000055129701 525144014 /nfs/dbraw/zinc/14/40/14/525144014.db2.gz XKJJTJWINMOEEK-UKKRHICBSA-N 1 0 255.362 0.343 10 0 CCAERO Cc1cc(NS(=O)(=O)C[C@H]2CCC[NH2+]2)n(C)n1 ZINC000049641566 525285422 /nfs/dbraw/zinc/28/54/22/525285422.db2.gz IYOHKYFHUAESPY-SECBINFHSA-N 1 0 258.347 0.222 10 0 CCAERO C[C@H](O)CN(C)S(=O)(=O)c1ccc(CC[NH3+])s1 ZINC000051840220 525744119 /nfs/dbraw/zinc/74/41/19/525744119.db2.gz XNPYPFXJVVCNOY-QMMMGPOBSA-N 1 0 278.399 0.251 10 0 CCAERO Cc1ccncc1NS(=O)(=O)C1CC[NH2+]CC1 ZINC000069051311 525765476 /nfs/dbraw/zinc/76/54/76/525765476.db2.gz MGIQQDHIERHNKH-UHFFFAOYSA-N 1 0 255.343 0.884 10 0 CCAERO C[C@H](C(=O)NCCc1ccncc1)N1CC[NH2+]CC1 ZINC000048262814 526059135 /nfs/dbraw/zinc/05/91/35/526059135.db2.gz UYRDYDKTVYZYFT-GFCCVEGCSA-N 1 0 262.357 0.034 10 0 CCAERO C[C@H](C(=O)Nc1ccc(-n2cncn2)nc1)C1C[NH2+]C1 ZINC000163987916 526132228 /nfs/dbraw/zinc/13/22/28/526132228.db2.gz OUDVLQYMBVFQPP-VIFPVBQESA-N 1 0 272.312 0.456 10 0 CCAERO CCC(CC)(CCO)CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262384541 534915522 /nfs/dbraw/zinc/91/55/22/534915522.db2.gz LYRATFQXIBHJOF-GHMZBOCLSA-N 1 0 258.362 0.014 10 0 CCAERO COCc1n[nH]c(CNC(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)n1 ZINC000666120812 545113162 /nfs/dbraw/zinc/11/31/62/545113162.db2.gz UBHGAKVEIOIDHV-NXEZZACHSA-N 1 0 296.375 0.043 10 0 CCAERO CC(=O)N1CC[C@@H](C(=O)NCC2CC[NH+](C)CC2)C1 ZINC000176345817 526642620 /nfs/dbraw/zinc/64/26/20/526642620.db2.gz IIJFETPCWLPBJU-CYBMUJFWSA-N 1 0 267.373 0.313 10 0 CCAERO NC(=O)C1CCN(C(=O)C[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000055091453 526855329 /nfs/dbraw/zinc/85/53/29/526855329.db2.gz JRJPAMFJURTJMU-CMPLNLGQSA-N 1 0 267.373 0.618 10 0 CCAERO NC(=S)C[C@H](c1ccccc1)[NH+](CCO)CCO ZINC000055024847 527109203 /nfs/dbraw/zinc/10/92/03/527109203.db2.gz QKUCUVJBDPEXSO-GFCCVEGCSA-N 1 0 268.382 0.691 10 0 CCAERO O=S(=O)(C[C@@H]1CCCC[NH2+]1)N1CCCC[C@@H]1CO ZINC000049631254 527181074 /nfs/dbraw/zinc/18/10/74/527181074.db2.gz IKZBPBLQBLQZND-NWDGAFQWSA-N 1 0 276.402 0.305 10 0 CCAERO [NH3+]C[C@H](Sc1n[nH]c(=O)n1C1CC1)C(F)(F)F ZINC000061594496 527229334 /nfs/dbraw/zinc/22/93/34/527229334.db2.gz SCZHKPIKEYKRSC-YFKPBYRVSA-N 1 0 268.264 0.888 10 0 CCAERO NC(=O)[C@H]1CCCN1C(=O)[C@H]1CCC[C@H](C[NH3+])C1 ZINC000055146485 527235475 /nfs/dbraw/zinc/23/54/75/527235475.db2.gz IFFUMLBEOOGHCJ-GARJFASQSA-N 1 0 253.346 0.228 10 0 CCAERO [NH3+]Cc1cn(CCN2CCc3sccc3C2)nn1 ZINC000052416545 527263018 /nfs/dbraw/zinc/26/30/18/527263018.db2.gz CKBJGAMOYZSCMP-UHFFFAOYSA-N 1 0 263.370 0.857 10 0 CCAERO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCS(=O)CC1 ZINC000156324937 527340205 /nfs/dbraw/zinc/34/02/05/527340205.db2.gz CIXSCSBKVROVSG-NWDGAFQWSA-N 1 0 272.414 0.875 10 0 CCAERO Cn1ccn(CCC[NH2+]C2CCCC2)c(=O)c1=O ZINC000061797380 527412133 /nfs/dbraw/zinc/41/21/33/527412133.db2.gz MEVWGKNAHMPONR-UHFFFAOYSA-N 1 0 251.330 0.469 10 0 CCAERO Cc1ccc(C[N@@H+]2CC[C@](O)(Cn3ccnn3)C2)o1 ZINC000671491556 545249845 /nfs/dbraw/zinc/24/98/45/545249845.db2.gz ZVYXYCWCODOBOO-CYBMUJFWSA-N 1 0 262.313 0.817 10 0 CCAERO CC(C)C(=O)N1C[C@H]2[C@@](C[NH3+])(C1)CCCS2(=O)=O ZINC000675072222 545321105 /nfs/dbraw/zinc/32/11/05/545321105.db2.gz AAHBDSCMJKWOGS-JQWIXIFHSA-N 1 0 274.386 0.007 10 0 CCAERO Cn1nnc(C2=C[C@@H]([NH3+])CN(C(=O)OC(C)(C)C)C2)n1 ZINC000675077219 545321304 /nfs/dbraw/zinc/32/13/04/545321304.db2.gz BAQXBTAKDIIJNW-SECBINFHSA-N 1 0 280.332 0.172 10 0 CCAERO Cn1nnc(C2=C[C@H]([NH3+])CN(C(=O)OC(C)(C)C)C2)n1 ZINC000675077220 545321412 /nfs/dbraw/zinc/32/14/12/545321412.db2.gz BAQXBTAKDIIJNW-VIFPVBQESA-N 1 0 280.332 0.172 10 0 CCAERO CCOCCC1(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CCCC1 ZINC000262548225 535483964 /nfs/dbraw/zinc/48/39/64/535483964.db2.gz SMYPUSFIKWVTER-CHWSQXEVSA-N 1 0 284.400 0.812 10 0 CCAERO COc1ccc(C[NH2+][C@@H]2CCNC2=O)cc1OC ZINC000676234031 545337204 /nfs/dbraw/zinc/33/72/04/545337204.db2.gz OGKHWDLPRMCXIF-SNVBAGLBSA-N 1 0 250.298 0.682 10 0 CCAERO CCOc1ccccc1OCC(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262353400 535536880 /nfs/dbraw/zinc/53/68/80/535536880.db2.gz UPISMYJIDDOALU-NWDGAFQWSA-N 1 0 294.351 0.161 10 0 CCAERO CCCn1[nH]cc/c1=N\C(=O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000261878398 535577694 /nfs/dbraw/zinc/57/76/94/535577694.db2.gz UHYATKRXHROHAX-IQGJIOQQSA-N 1 0 279.388 0.324 10 0 CCAERO CCOc1ccc(CNC[C@@H]2C[NH2+]C[C@H]2O)cc1F ZINC000263129572 535724201 /nfs/dbraw/zinc/72/42/01/535724201.db2.gz BOVNXQKVMLMHDC-DGCLKSJQSA-N 1 0 268.332 0.894 10 0 CCAERO CCN(C)c1ccc(CNC[C@H]2C[NH2+]C[C@@H]2O)cn1 ZINC000263184951 535764312 /nfs/dbraw/zinc/76/43/12/535764312.db2.gz HEPICUSHYZIBNZ-STQMWFEESA-N 1 0 264.373 0.208 10 0 CCAERO Cc1c(C[NH2+]CCCN(C)S(C)(=O)=O)cnn1C ZINC000677318694 545363741 /nfs/dbraw/zinc/36/37/41/545363741.db2.gz JMMOJAIUASIXKN-UHFFFAOYSA-N 1 0 274.390 0.100 10 0 CCAERO CN(C)[C@@H](CNC(=O)C1C[NH2+]C1)c1c(F)cccc1F ZINC000262268144 536125728 /nfs/dbraw/zinc/12/57/28/536125728.db2.gz SJTXMESZZUFAAZ-LBPRGKRZSA-N 1 0 283.322 0.903 10 0 CCAERO C[NH2+][C@H](C(=O)N1CCO[C@H]2CCCC[C@@H]21)c1cnn(C)c1 ZINC000262295533 536380370 /nfs/dbraw/zinc/38/03/70/536380370.db2.gz ZEHFPBAVCRIVNC-IHRRRGAJSA-N 1 0 292.383 0.851 10 0 CCAERO C[NH2+][C@H](C)CNC(=O)C[C@@H](NC(N)=O)c1cccs1 ZINC000261838009 536392719 /nfs/dbraw/zinc/39/27/19/536392719.db2.gz VYOXCRJTBRNTHA-RKDXNWHRSA-N 1 0 284.385 0.572 10 0 CCAERO C[NH2+][C@H](C)CNS(=O)(=O)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000261828360 536402931 /nfs/dbraw/zinc/40/29/31/536402931.db2.gz VCBPDMCHTNBDGV-AGIUHOORSA-N 1 0 289.445 0.941 10 0 CCAERO COC[C@@H]([NH3+])C(=O)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000262328083 536655304 /nfs/dbraw/zinc/65/53/04/536655304.db2.gz RGHWVJTWTOBESQ-NWDGAFQWSA-N 1 0 280.372 0.175 10 0 CCAERO CO[C@@H](C)C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000176442356 536856651 /nfs/dbraw/zinc/85/66/51/536856651.db2.gz XDRWPSXUHLIHMO-RYUDHWBXSA-N 1 0 272.389 0.573 10 0 CCAERO CCCCOC[C@@H](O)C[N@H+](C)C[C@@H]1CN(C)CCO1 ZINC000683923820 545586550 /nfs/dbraw/zinc/58/65/50/545586550.db2.gz KMTWAUSYADEYJL-KBPBESRZSA-N 1 0 274.405 0.426 10 0 CCAERO CC(C)[C@@](O)(C(=O)OCC1=CC[N@@H+]2CCC[C@@H]12)[C@@H](C)O ZINC000000899756 560179402 /nfs/dbraw/zinc/17/94/02/560179402.db2.gz DRVWTOSBCBKXOR-ZLDLUXBVSA-N 1 0 283.368 0.702 10 0 biogenic,in-vitro CCAERO C[C@@H]1C[NH2+]C[C@]12CN(CC(F)(F)F)CC[C@@H]2O ZINC000725246430 567908170 /nfs/dbraw/zinc/90/81/70/567908170.db2.gz VOBPYCRCZUZVOQ-UTLUCORTSA-N 1 0 252.280 0.841 10 0 CCAERO CCc1nn(C)cc1C[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000393037662 581151967 /nfs/dbraw/zinc/15/19/67/581151967.db2.gz YNIKBPPKAPLTCX-SKDRFNHKSA-N 1 0 250.346 0.739 10 0 CCAERO FCC1(CF)CC2(C1)[NH2+]C[C@@]1(COCCN1)CO2 ZINC000757148913 581680790 /nfs/dbraw/zinc/68/07/90/581680790.db2.gz VOWOACICAQLBOX-LLVKDONJSA-N 1 0 262.300 0.380 10 0 CCAERO CCN(C)S(=O)(=O)C[C@@H]([NH3+])[C@@H]1CCCOC1 ZINC000757151026 581696888 /nfs/dbraw/zinc/69/68/88/581696888.db2.gz MVIHLVFFUYWHSS-NXEZZACHSA-N 1 0 250.364 0.022 10 0 CCAERO CC(C)Cc1c(N)[nH]c(N2CC[NH2+]CC2)nc1=O ZINC000757180073 581697871 /nfs/dbraw/zinc/69/78/71/581697871.db2.gz UCGOYXMZLHXYKX-UHFFFAOYSA-N 1 0 251.334 0.373 10 0 CCAERO Nc1[nH]c(N2CC[NH2+]CC2)nc(=O)c1-c1ccc(F)cc1 ZINC000757180272 581697957 /nfs/dbraw/zinc/69/79/57/581697957.db2.gz ZDYIHBMXQKDLML-UHFFFAOYSA-N 1 0 289.314 0.980 10 0 CCAERO CC(C)(C)[NH2+]CCC(=O)N1CC[C@](O)(Cn2ccnn2)C1 ZINC000935906032 613953297 /nfs/dbraw/zinc/95/32/97/613953297.db2.gz SXFSXAHWWNDZLS-CQSZACIVSA-N 1 0 295.387 0.020 10 0 CCAERO CC(C)(C)[C@H](O)CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896988734 614038617 /nfs/dbraw/zinc/03/86/17/614038617.db2.gz JHIHVUOJAOPIGF-VXGBXAGGSA-N 1 0 270.373 0.230 10 0 CCAERO CC(=O)O[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000897161946 614227403 /nfs/dbraw/zinc/22/74/03/614227403.db2.gz IKAMJPJQPMTKJR-MJBXVCDLSA-N 1 0 296.367 0.404 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)Cn1nc2cnccn2c1=O ZINC000133395712 615144219 /nfs/dbraw/zinc/14/42/19/615144219.db2.gz XBKOMENXXZYXQH-LBPRGKRZSA-N 1 0 290.371 0.265 10 0 CCAERO CCOC(=O)N1CCN(C(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000136412318 615229457 /nfs/dbraw/zinc/22/94/57/615229457.db2.gz ZQOROJTUYRKCRG-LLVKDONJSA-N 1 0 271.361 0.661 10 0 CCAERO CCn1c(C)nn(CN2CCO[C@H](C[NH+](C)C)C2)c1=S ZINC000152982159 615919835 /nfs/dbraw/zinc/91/98/35/615919835.db2.gz URBJFBIXELRMIN-GFCCVEGCSA-N 1 0 299.444 0.962 10 0 CCAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1cnn(C)n1 ZINC000826683773 615920604 /nfs/dbraw/zinc/92/06/04/615920604.db2.gz CBPSALYKEMPKFU-KBPBESRZSA-N 1 0 291.399 0.833 10 0 CCAERO COC(=O)c1ncn(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1 ZINC000153239145 616275936 /nfs/dbraw/zinc/27/59/36/616275936.db2.gz RHOLIDZGBMXHLO-WDEREUQCSA-N 1 0 279.344 0.191 10 0 CCAERO COC(=O)c1cc(NC(=O)[C@H]2C[C@@H](OC)C[NH2+]2)ccc1F ZINC000040633210 616867834 /nfs/dbraw/zinc/86/78/34/616867834.db2.gz MWEYFSXDHDPUAI-BXKDBHETSA-N 1 0 296.298 0.928 10 0 CCAERO COC(=O)N[C@@H](C(=O)N1CC[C@H](C[NH+](C)C)C1)C(C)C ZINC000113448810 616900871 /nfs/dbraw/zinc/90/08/71/616900871.db2.gz UXVXPZGHTWFYRM-VXGBXAGGSA-N 1 0 285.388 0.777 10 0 CCAERO COCc1nn(C)cc1C(=O)N1C[C@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000908331694 616967622 /nfs/dbraw/zinc/96/76/22/616967622.db2.gz VKIABOWYQVJNHW-VXGBXAGGSA-N 1 0 292.383 0.590 10 0 CCAERO COC[C@H](C)NC(=S)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000123121913 617077145 /nfs/dbraw/zinc/07/71/45/617077145.db2.gz HNGUYOQDJKFDLL-VWYCJHECSA-N 1 0 259.419 0.778 10 0 CCAERO C(C[C@@H]1CCC[NH2+]1)c1nc([C@@H]2CN3CCN2CC3)no1 ZINC000312457937 625437185 /nfs/dbraw/zinc/43/71/85/625437185.db2.gz ACSZEJYPBSAAAI-RYUDHWBXSA-N 1 0 277.372 0.427 10 0 CCAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccn(CC(F)F)n2)C1 ZINC000194023303 625566072 /nfs/dbraw/zinc/56/60/72/625566072.db2.gz RKVCPNOMIMFMJY-SECBINFHSA-N 1 0 272.299 0.924 10 0 CCAERO Cc1nsc(N2CC[C@@H](N3CC[NH2+]CC3)C2)n1 ZINC000310200742 623254059 /nfs/dbraw/zinc/25/40/59/623254059.db2.gz BOBJRBREFCTOIW-SNVBAGLBSA-N 1 0 253.375 0.330 10 0 CCAERO C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CSCCS2)C1 ZINC000177099888 623328700 /nfs/dbraw/zinc/32/87/00/623328700.db2.gz ATFKODKXDHOMBM-VHSXEESVSA-N 1 0 260.428 0.998 10 0 CCAERO Cn1cc([C@H]2CCCN2C(=O)[C@]2(F)CC[NH2+]C2)cn1 ZINC000167632186 623395734 /nfs/dbraw/zinc/39/57/34/623395734.db2.gz NLEOBGBFJGRHNL-YPMHNXCESA-N 1 0 266.320 0.785 10 0 CCAERO C[C@@H]([NH2+]Cc1cccc(S(N)(=O)=O)c1)[C@H]1CCCO1 ZINC000311816578 623801983 /nfs/dbraw/zinc/80/19/83/623801983.db2.gz BWGRKPOLMFCDHT-ZWNOBZJWSA-N 1 0 284.381 0.991 10 0 CCAERO Nc1nc(C2CC2)nc(N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000311885118 623810799 /nfs/dbraw/zinc/81/07/99/623810799.db2.gz VMEMFBRJGYBGPP-SNVBAGLBSA-N 1 0 260.345 0.616 10 0 CCAERO C(Cc1nc([C@@H]2CN3CCC[C@@H]3CO2)no1)[NH2+]C1CC1 ZINC000091685575 624848362 /nfs/dbraw/zinc/84/83/62/624848362.db2.gz ZQZSPVVTYMUOMG-NEPJUHHUSA-N 1 0 278.356 0.900 10 0 CCAERO CC(=O)N1CSC[C@@H]1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000334479542 625765523 /nfs/dbraw/zinc/76/55/23/625765523.db2.gz SGTZSLQMTGACAR-VXGBXAGGSA-N 1 0 283.397 0.214 10 0 CCAERO [NH3+]CCCCCCc1nc([C@@H]2CN3CCN2CC3)no1 ZINC000094506171 631278830 /nfs/dbraw/zinc/27/88/30/631278830.db2.gz RJILCLFAYAIVGJ-LBPRGKRZSA-N 1 0 279.388 0.804 10 0 CCAERO CCC[C@H]([NH3+])C(=O)NC[C@H](O)c1ccc(OC)cc1 ZINC000236876003 631399718 /nfs/dbraw/zinc/39/97/18/631399718.db2.gz ALLBJJVSBNNRTL-STQMWFEESA-N 1 0 266.341 0.972 10 0 CCAERO CC[C@H](O)C[NH+]1CCN(C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000192045114 631973571 /nfs/dbraw/zinc/97/35/71/631973571.db2.gz MMSAMZHIXQQKGC-KBPBESRZSA-N 1 0 296.411 0.861 10 0 CCAERO O=C(C[C@@H]1CCC[NH2+]C1)NCCc1nnc2ccccn21 ZINC000054308670 632579073 /nfs/dbraw/zinc/57/90/73/632579073.db2.gz ARPJTLXIRZBAKW-LBPRGKRZSA-N 1 0 287.367 0.778 10 0 CCAERO C[C@@H](C(=O)N1CC[C@H](n2cc(C3CC3)nn2)C1)[NH+](C)C ZINC000899090828 633732911 /nfs/dbraw/zinc/73/29/11/633732911.db2.gz POBPLMHNJINANS-JQWIXIFHSA-N 1 0 277.372 0.879 10 0 CCAERO Cc1ncc(C(=O)N[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](O)C2)n1C ZINC000911418572 636248988 /nfs/dbraw/zinc/24/89/88/636248988.db2.gz OZJFRKJASFXHNL-UPJWGTAASA-N 1 0 292.383 0.446 10 0 CCAERO CC(C)(C(=O)NCCC1CCC1)N1CC[NH2+]CC1 ZINC000157044105 636900289 /nfs/dbraw/zinc/90/02/89/636900289.db2.gz CJMWWSRSQAPZRM-UHFFFAOYSA-N 1 0 253.390 0.977 10 0 CCAERO C[C@@H](c1nc(C[C@@H]2CCC[NH2+]C2)no1)n1cncn1 ZINC000225428625 636948549 /nfs/dbraw/zinc/94/85/49/636948549.db2.gz WAYORVIZIQRPTK-UWVGGRQHSA-N 1 0 262.317 0.813 10 0 CCAERO O=S(=O)([C@H]1CCC[NH2+]C1)N1CCN2CCCC[C@@H]2C1 ZINC000227382872 637023302 /nfs/dbraw/zinc/02/33/02/637023302.db2.gz HMGVRNVWHQFJJC-OLZOCXBDSA-N 1 0 287.429 0.238 10 0 CCAERO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCC(C)C)C[C@@H]1C ZINC000227754541 637034444 /nfs/dbraw/zinc/03/44/44/637034444.db2.gz CEPVFSZKRYFMFX-SDDRHHMPSA-N 1 0 270.373 0.888 10 0 CCAERO CCC[NH2+][C@H](CCn1cc(Br)cn1)C(N)=O ZINC000062536257 637173715 /nfs/dbraw/zinc/17/37/15/637173715.db2.gz NVEVPWIJIXFEGJ-SECBINFHSA-N 1 0 289.177 0.889 10 0 CCAERO CN(C)S(=O)(=O)CC[NH2+]CCc1ccccc1 ZINC000230994419 637194280 /nfs/dbraw/zinc/19/42/80/637194280.db2.gz IVGMAGDVHTWTBH-UHFFFAOYSA-N 1 0 256.371 0.710 10 0 CCAERO CC(C)N1C(=O)CN(CN2CC[C@@H]([NH+](C)C)C2)C1=O ZINC000170842696 638208534 /nfs/dbraw/zinc/20/85/34/638208534.db2.gz VAUQCWLUTFKGEQ-LLVKDONJSA-N 1 0 268.361 0.252 10 0 CCAERO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)CCO1 ZINC000248038037 638322205 /nfs/dbraw/zinc/32/22/05/638322205.db2.gz SDJBYQFQKMGIFX-YCPHGPKFSA-N 1 0 296.411 0.861 10 0 CCAERO CCc1nsc(NCCN2CCC([NH3+])CC2)n1 ZINC000321528831 639833770 /nfs/dbraw/zinc/83/37/70/639833770.db2.gz IQEZXCFEVISHOO-UHFFFAOYSA-N 1 0 255.391 0.936 10 0 CCAERO [NH3+]C[C@@H](C(=O)Nc1ccc[nH]c1=O)C1CCOCC1 ZINC000864741215 645271589 /nfs/dbraw/zinc/27/15/89/645271589.db2.gz JJJCTADCFRJWHV-SNVBAGLBSA-N 1 0 265.313 0.727 10 0 CCAERO c1ncn([C@H]2CCC[N@@H+](CCC3OCCO3)C2)n1 ZINC000124209478 646313776 /nfs/dbraw/zinc/31/37/76/646313776.db2.gz ABFUNRNFXMICAQ-NSHDSACASA-N 1 0 252.318 0.678 10 0 CCAERO C[C@@H]1C[C@@]([NH3+])(CC(N)=O)CCN1C(=O)OC(C)(C)C ZINC000211722166 647329987 /nfs/dbraw/zinc/32/99/87/647329987.db2.gz ZDRVHKLUBZKZHY-NOZJJQNGSA-N 1 0 271.361 0.979 10 0 CCAERO C[C@H]1CN(C(=O)CN(C)[C@H]2CCC[NH2+]CC2)CCO1 ZINC000300241354 648106261 /nfs/dbraw/zinc/10/62/61/648106261.db2.gz AXIKKKGTQXWVRP-STQMWFEESA-N 1 0 269.389 0.308 10 0 CCAERO O[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1C[C@@H]1COCCO1 ZINC000930412917 648859552 /nfs/dbraw/zinc/85/95/52/648859552.db2.gz WZCIFGSJAVFZGG-YIYPIFLZSA-N 1 0 271.357 0.264 10 0 CCAERO CCCOc1ccnc(N2CCO[C@@H](C[NH3+])C2)n1 ZINC000158835069 649310935 /nfs/dbraw/zinc/31/09/35/649310935.db2.gz VIAOMXKVNMNSPQ-JTQLQIEISA-N 1 0 252.318 0.429 10 0 CCAERO C[C@@H](NC(=O)N1CC[C@@H]([NH+](C)C)C1)c1nnnn1C1CC1 ZINC000188867458 649362442 /nfs/dbraw/zinc/36/24/42/649362442.db2.gz BQPXLZLZPBRUOE-MWLCHTKSSA-N 1 0 293.375 0.415 10 0 CCAERO CC[NH+](CC)[C@@H](C)CNC(=O)NOC[C@H]1CCOC1 ZINC000191447577 649477352 /nfs/dbraw/zinc/47/73/52/649477352.db2.gz JZLIIYNTHFAODB-RYUDHWBXSA-N 1 0 273.377 0.984 10 0 CCAERO COCCN(CC(=O)N(C)C)C(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089391529 649655997 /nfs/dbraw/zinc/65/59/97/649655997.db2.gz IHWHBMPMKPCAAJ-CHWSQXEVSA-N 1 0 299.415 0.315 10 0 CCAERO [NH3+][C@@H]1CC[C@@H](C(=O)NCC(=O)NCc2ccccc2)C1 ZINC000091546384 649706066 /nfs/dbraw/zinc/70/60/66/649706066.db2.gz NTCMRDXDWCQCDT-CHWSQXEVSA-N 1 0 275.352 0.546 10 0 CCAERO [NH3+][C@@H]1CC[C@@H](c2nc([C@@H]3CN4CCN3CC4)no2)C1 ZINC000094506093 649743241 /nfs/dbraw/zinc/74/32/41/649743241.db2.gz LGJSWDNEBIEMDL-MXWKQRLJSA-N 1 0 263.345 0.337 10 0 CCAERO COC(=O)[C@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC000095015406 649751654 /nfs/dbraw/zinc/75/16/54/649751654.db2.gz RXBVWNRZCIGZOB-MNOVXSKESA-N 1 0 254.330 0.350 10 0 CCAERO C[C@H]1CN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CCS1 ZINC000252979893 649837729 /nfs/dbraw/zinc/83/77/29/649837729.db2.gz JYKYJBZVQCCILJ-UWVGGRQHSA-N 1 0 264.416 0.506 10 0 CCAERO O=C([O-])[C@]12CCC[C@H]1C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C2 ZINC000701456321 977014258 /nfs/dbraw/zinc/01/42/58/977014258.db2.gz GFKJCLBDUSIMRD-YDHLFZDLSA-N 1 0 282.384 0.630 10 0 CCAERO C[NH+]1CCC(C[NH2+]C[C@@H]2[C@@H](C(=O)[O-])C2(F)F)CC1 ZINC000715300881 977733058 /nfs/dbraw/zinc/73/30/58/977733058.db2.gz GFVFGQFREVKDSC-ZJUUUORDSA-N 1 0 262.300 0.884 10 0 CCAERO CN1CCO[C@@H](CNC(=O)CCC2CC[NH2+]CC2)C1 ZINC000091669415 349473272 /nfs/dbraw/zinc/47/32/72/349473272.db2.gz DLSYKCFFMDVQRP-ZDUSSCGKSA-N 1 0 269.389 0.213 10 0 CCAERO Cc1nc2n(n1)CCN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])C2 ZINC000261851873 282108615 /nfs/dbraw/zinc/10/86/15/282108615.db2.gz VWCLXZVLUVWVEY-GHMZBOCLSA-N 1 0 263.345 0.304 10 0 CCAERO CCOC(=O)CCCCC[N@@H+]1CCO[C@H](CO)C1 ZINC000094268188 349564698 /nfs/dbraw/zinc/56/46/98/349564698.db2.gz HWUARYMNUHFHMQ-LBPRGKRZSA-N 1 0 259.346 0.803 10 0 CCAERO Cc1cnc(S(=O)(=O)[C@@H]2CCC[NH2+]C2)nc1Cl ZINC000095068686 349585265 /nfs/dbraw/zinc/58/52/65/349585265.db2.gz AVEZXLKPLRGDMK-MRVPVSSYSA-N 1 0 275.761 0.964 10 0 CCAERO Cc1cc(C)nc(S(=O)(=O)NC[C@H]2CCC[NH2+]C2)n1 ZINC000095068868 349586353 /nfs/dbraw/zinc/58/63/53/349586353.db2.gz CZKBDDXQHNIYRY-NSHDSACASA-N 1 0 284.385 0.371 10 0 CCAERO O=S(=O)(Cc1ccccn1)NC[C@H]1CCCC[NH2+]1 ZINC000095073090 349587946 /nfs/dbraw/zinc/58/79/46/349587946.db2.gz CQIWDPHOHLFNLC-LLVKDONJSA-N 1 0 269.370 0.643 10 0 CCAERO [NH3+]C1CCN(S(=O)(=O)Cc2ccncc2)CC1 ZINC000095072402 349588366 /nfs/dbraw/zinc/58/83/66/349588366.db2.gz SLSPUSBPZWSYER-UHFFFAOYSA-N 1 0 255.343 0.335 10 0 CCAERO Cc1ccc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@@H](C2)O3)cc1 ZINC000097694376 349645717 /nfs/dbraw/zinc/64/57/17/349645717.db2.gz UQVVYZGANBMGBQ-TXEJJXNPSA-N 1 0 282.365 0.356 10 0 CCAERO O=c1cc(C[NH2+][C@H]2CCCOC2)nc2ccccn12 ZINC000103954929 349704707 /nfs/dbraw/zinc/70/47/07/349704707.db2.gz LDFJUAQADCKSAK-NSHDSACASA-N 1 0 259.309 0.963 10 0 CCAERO CC(=O)NCCCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105139616 349720000 /nfs/dbraw/zinc/72/00/00/349720000.db2.gz BOPIGVFGFFZEPV-ZDUSSCGKSA-N 1 0 282.388 0.392 10 0 CCAERO C[NH+](C)C[C@@H]1CN(CC(=O)NCCC(C)(C)C)CCO1 ZINC000107305011 349737060 /nfs/dbraw/zinc/73/70/60/349737060.db2.gz GGDBNWLOLDJBFV-CYBMUJFWSA-N 1 0 285.432 0.801 10 0 CCAERO CC(C)NC(=O)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105882827 349726877 /nfs/dbraw/zinc/72/68/77/349726877.db2.gz VRSKYAVWTLOBHV-GFCCVEGCSA-N 1 0 265.361 0.515 10 0 CCAERO CCOC(=O)CCCN1CCO[C@@H](C[NH+](C)C)C1 ZINC000105924359 349728980 /nfs/dbraw/zinc/72/89/80/349728980.db2.gz NLTWPAKSHGAHCH-LBPRGKRZSA-N 1 0 258.362 0.592 10 0 CCAERO OCCC[N@@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000105917064 349729315 /nfs/dbraw/zinc/72/93/15/349729315.db2.gz IKZHCBQRBDAXKT-UHFFFAOYSA-N 1 0 280.372 0.837 10 0 CCAERO CC(=O)N[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 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C[NH2+][C@H]1CCCN(C2=NS(=O)(=O)c3ccccc32)C1 ZINC000053204701 348522192 /nfs/dbraw/zinc/52/21/92/348522192.db2.gz OWJUSJGILLVAOM-JTQLQIEISA-N 1 0 279.365 0.819 10 0 CCAERO CN(C)C(=O)C1CC[NH+](C[C@H](O)COC(C)(C)C)CC1 ZINC000053398885 348528107 /nfs/dbraw/zinc/52/81/07/348528107.db2.gz NEIHTSOOHIQYNY-ZDUSSCGKSA-N 1 0 286.416 0.963 10 0 CCAERO COC(=O)[C@@H]1CCCN1C(=O)NC1CC[NH2+]CC1 ZINC000053993779 348537728 /nfs/dbraw/zinc/53/77/28/348537728.db2.gz GBIXBUHCIXWTPH-JTQLQIEISA-N 1 0 255.318 0.085 10 0 CCAERO [NH3+]CCNC(=O)[C@@H]1CCCN(c2ncnc3c2CCC3)C1 ZINC000063180861 348682497 /nfs/dbraw/zinc/68/24/97/348682497.db2.gz ZHUXXCRERTZEPK-LLVKDONJSA-N 1 0 289.383 0.257 10 0 CCAERO O=C1C[C@@H](N2CC[NH2+]CC2)C(=O)N1Cc1ccccc1 ZINC000064875679 348704945 /nfs/dbraw/zinc/70/49/45/348704945.db2.gz PVPZEBJCSZAFLZ-CYBMUJFWSA-N 1 0 273.336 0.219 10 0 CCAERO NS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000070573661 348892847 /nfs/dbraw/zinc/89/28/47/348892847.db2.gz RGOCHSBHBCQAOC-ZJUUUORDSA-N 1 0 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277.372 0.412 10 0 CCAERO CCC(=O)N1CCCN(C(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000136177698 350417514 /nfs/dbraw/zinc/41/75/14/350417514.db2.gz PPINCRQYEAMHNY-OAHLLOKOSA-N 1 0 281.400 0.990 10 0 CCAERO COCCCNC(=O)[C@@H](C)[NH2+]CCn1cc(C)cn1 ZINC000105881743 186083754 /nfs/dbraw/zinc/08/37/54/186083754.db2.gz BYWVEZFBIQWXSZ-GFCCVEGCSA-N 1 0 268.361 0.322 10 0 CCAERO CCOCC[N@@H+]1CCN([C@@H](C)C(N)=O)C[C@H]1CC ZINC000105837487 186075254 /nfs/dbraw/zinc/07/52/54/186075254.db2.gz WBKMLJNZYXJEPF-NWDGAFQWSA-N 1 0 257.378 0.293 10 0 CCAERO CCNC(=O)CC[N@@H+]1CCN(CCOC)[C@@H](CC)C1 ZINC000105836906 186075989 /nfs/dbraw/zinc/07/59/89/186075989.db2.gz XWYIFIFOGUTBFQ-ZDUSSCGKSA-N 1 0 271.405 0.555 10 0 CCAERO CC[C@H]1CN(Cc2nccn2C)CC[N@@H+]1CCOC ZINC000105837061 186076268 /nfs/dbraw/zinc/07/62/68/186076268.db2.gz PYVOORGJKNWUJR-ZDUSSCGKSA-N 1 0 266.389 0.963 10 0 CCAERO CCOCC[N@@H+]1CCN(CCCNC(C)=O)C[C@@H]1C ZINC000105835576 186076390 /nfs/dbraw/zinc/07/63/90/186076390.db2.gz IFRIYTLUXSQMOI-ZDUSSCGKSA-N 1 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BHHJIYGANMXQQG-UHFFFAOYSA-N 1 0 272.345 0.154 10 0 CCAERO CC[NH+]1CCN(CCNC(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC000154636497 350594485 /nfs/dbraw/zinc/59/44/85/350594485.db2.gz CGHYYRBBOYTACK-CHWSQXEVSA-N 1 0 269.389 0.308 10 0 CCAERO C[NH+](C)C[C@H]1CN(CCCNC(=O)C(F)(F)F)CCO1 ZINC000154818126 350599641 /nfs/dbraw/zinc/59/96/41/350599641.db2.gz YUDPHIDTIWGFPF-JTQLQIEISA-N 1 0 297.321 0.317 10 0 CCAERO COC(=O)CN(C)CCOc1ccc(CC[NH3+])cc1 ZINC000109603577 186266327 /nfs/dbraw/zinc/26/63/27/186266327.db2.gz HENNPUVMONTXRJ-UHFFFAOYSA-N 1 0 266.341 0.671 10 0 CCAERO CCOC(=O)CCS(=O)(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000109844140 186276494 /nfs/dbraw/zinc/27/64/94/186276494.db2.gz LHBVSNSICSKDBE-LLVKDONJSA-N 1 0 292.401 0.343 10 0 CCAERO CC(C)(C)OC(=O)[C@H]1CCCN1C[C@@H]1CNC(=O)O1 ZINC000157237192 350641742 /nfs/dbraw/zinc/64/17/42/350641742.db2.gz HSPSJCGYEBPFLZ-VHSXEESVSA-N 1 0 270.329 0.901 10 0 CCAERO Cn1ncc(NCCCN2CC[NH2+]CC2)c(Cl)c1=O ZINC000159133090 350670630 /nfs/dbraw/zinc/67/06/30/350670630.db2.gz SWNWNUOBRXQCHY-UHFFFAOYSA-N 1 0 285.779 0.141 10 0 CCAERO O=C1[C@H]([N@@H+]2CCC[C@@H](Cn3ccnn3)C2)CCN1C1CC1 ZINC000162606674 350746897 /nfs/dbraw/zinc/74/68/97/350746897.db2.gz MZRLXHHDCNEESJ-TZMCWYRMSA-N 1 0 289.383 0.753 10 0 CCAERO COC[C@@H]([NH3+])C(=O)N[C@@H](CC(=O)OC)c1cccs1 ZINC000167801797 350814424 /nfs/dbraw/zinc/81/44/24/350814424.db2.gz ZBFFCUQTCNRUFD-BDAKNGLRSA-N 1 0 286.353 0.442 10 0 CCAERO CC[C@H]([NH3+])C(=O)N1CCC(Nc2cccnn2)CC1 ZINC000167908990 350816457 /nfs/dbraw/zinc/81/64/57/350816457.db2.gz DBUXBDUAUKLSIJ-NSHDSACASA-N 1 0 263.345 0.617 10 0 CCAERO Cc1cnn(C[C@H]2CN(C(=O)[C@@]3(F)CC[NH2+]C3)CCO2)c1 ZINC000168260043 350822841 /nfs/dbraw/zinc/82/28/41/350822841.db2.gz HULDQWRPNXMHCK-TZMCWYRMSA-N 1 0 296.346 0.121 10 0 CCAERO C[C@@H]([NH3+])[C@@H]1CCN(CN2C(=O)c3ccccc3C2=O)C1 ZINC000169238994 350836770 /nfs/dbraw/zinc/83/67/70/350836770.db2.gz APSOWCVHNWJPKG-GHMZBOCLSA-N 1 0 273.336 0.909 10 0 CCAERO CCCC[C@H](NC(N)=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170854781 350868002 /nfs/dbraw/zinc/86/80/02/350868002.db2.gz YAPRMLOFDJUAID-QWRGUYRKSA-N 1 0 270.377 0.376 10 0 CCAERO CNC(=O)N1CCC([C@H]2CCN(C(=O)C[NH2+]C)C2)CC1 ZINC000169783540 350839944 /nfs/dbraw/zinc/83/99/44/350839944.db2.gz NAOVDUNJAIJQHE-LBPRGKRZSA-N 1 0 282.388 0.106 10 0 CCAERO O=C(c1ccncc1)N1C[C@H](CO)C2(C1)CC[NH2+]CC2 ZINC000169789448 350840420 /nfs/dbraw/zinc/84/04/20/350840420.db2.gz CUPKATCTKFTHBG-CYBMUJFWSA-N 1 0 275.352 0.516 10 0 CCAERO CN1C[C@@H](C[NH+](C)C)[C@H](NC(=O)NC2CCCC2)C1 ZINC000169790650 350840725 /nfs/dbraw/zinc/84/07/25/350840725.db2.gz XJACDGRLBNRMRT-DGCLKSJQSA-N 1 0 268.405 0.720 10 0 CCAERO Cn1cc(C[N@@H+]2CCCN(Cc3ncc[nH]3)CC2)cn1 ZINC000111228893 186371323 /nfs/dbraw/zinc/37/13/23/186371323.db2.gz KWFWXXCOOKEKBS-UHFFFAOYSA-N 1 0 274.372 0.851 10 0 CCAERO C[C@H](CNC(=O)N1CC[C@@H]([NH+](C)C)C1)N1CCOCC1 ZINC000170829552 350865934 /nfs/dbraw/zinc/86/59/34/350865934.db2.gz PZGRAWUTRBYFEK-CHWSQXEVSA-N 1 0 284.404 0.053 10 0 CCAERO CC(C)NC(=O)CCNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171607938 350920027 /nfs/dbraw/zinc/92/00/27/350920027.db2.gz WBFCOTAEOXVJJD-CYBMUJFWSA-N 1 0 296.415 0.781 10 0 CCAERO O=C(CN1CC[N@@H+]2CCC[C@@H]2C1)NCC(F)(F)F ZINC000171641130 350923856 /nfs/dbraw/zinc/92/38/56/350923856.db2.gz APAUUJMNWKHQTE-SECBINFHSA-N 1 0 265.279 0.445 10 0 CCAERO CCCC(=O)N1CSC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170868473 350870425 /nfs/dbraw/zinc/87/04/25/350870425.db2.gz XWFQJIJJIYUJMM-VXGBXAGGSA-N 1 0 299.440 0.851 10 0 CCAERO NC(=O)NC(=O)CCC[N@@H+]1CCCN(C2CC2)CC1 ZINC000170929194 350875070 /nfs/dbraw/zinc/87/50/70/350875070.db2.gz VRXYICDOIHLGGL-UHFFFAOYSA-N 1 0 268.361 0.132 10 0 CCAERO Cc1n[nH]cc1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000172306840 350975802 /nfs/dbraw/zinc/97/58/02/350975802.db2.gz QWAHKZQTGSFYQN-SNVBAGLBSA-N 1 0 252.318 0.121 10 0 CCAERO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H]1CCN(C)C1=O ZINC000172541827 350991136 /nfs/dbraw/zinc/99/11/36/350991136.db2.gz PRIIKJPEQVPBLU-QWRGUYRKSA-N 1 0 270.377 0.247 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCOCCOC ZINC000174039956 351067513 /nfs/dbraw/zinc/06/75/13/351067513.db2.gz YQAGAKJXIXPBJS-ZIAGYGMSSA-N 1 0 299.415 0.918 10 0 CCAERO CCCN(C)S(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000173361837 351036472 /nfs/dbraw/zinc/03/64/72/351036472.db2.gz JYQGSTWUOBDKNO-LLVKDONJSA-N 1 0 261.391 0.353 10 0 CCAERO c1ncn([C@H]2CCC[N@@H+](CCCN3CCOCC3)C2)n1 ZINC000173651658 351048815 /nfs/dbraw/zinc/04/88/15/351048815.db2.gz DYGHGIPJMDDQJA-AWEZNQCLSA-N 1 0 279.388 0.637 10 0 CCAERO CN(CC1CC1)C(=O)C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173948273 351063690 /nfs/dbraw/zinc/06/36/90/351063690.db2.gz FUXCCMHSTZKOLH-AWEZNQCLSA-N 1 0 281.400 0.261 10 0 CCAERO Cc1nc(C)c(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)o1 ZINC000174922867 351111245 /nfs/dbraw/zinc/11/12/45/351111245.db2.gz VBNMHAAFGRGJIN-NSHDSACASA-N 1 0 267.329 0.694 10 0 CCAERO CCNC(=O)NC(=O)CN1C[C@H]2CCC[N@@H+]2C[C@H]1CC ZINC000175038749 351115044 /nfs/dbraw/zinc/11/50/44/351115044.db2.gz BAQAMYGFASEPFH-VXGBXAGGSA-N 1 0 282.388 0.391 10 0 CCAERO CC(C)c1nnnn1CC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000174170885 351073013 /nfs/dbraw/zinc/07/30/13/351073013.db2.gz HTHAXJCDPHJQGV-LBPRGKRZSA-N 1 0 292.387 0.493 10 0 CCAERO CC[C@@H]1CN(C(=O)c2c[nH]nc2C)CC[N@@H+]1C[C@@H](C)O ZINC000174643290 351096449 /nfs/dbraw/zinc/09/64/49/351096449.db2.gz OIWFPQABCVORRJ-ZYHUDNBSSA-N 1 0 280.372 0.635 10 0 CCAERO COC[C@@H]1CN(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)CCO1 ZINC000176838044 351186087 /nfs/dbraw/zinc/18/60/87/351186087.db2.gz QEFRGGDPNLCMJD-RDBSUJKOSA-N 1 0 299.415 0.772 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)S(=O)(=O)CCOC ZINC000175394284 351127906 /nfs/dbraw/zinc/12/79/06/351127906.db2.gz UXVAHPOKWNHNPV-LLVKDONJSA-N 1 0 264.391 0.379 10 0 CCAERO CC[NH+](CC)CCN1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000179189855 351261187 /nfs/dbraw/zinc/26/11/87/351261187.db2.gz BNLYHZCCKKLLDR-OAHLLOKOSA-N 1 0 297.443 0.899 10 0 CCAERO CCNC(=O)C[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178293501 351227348 /nfs/dbraw/zinc/22/73/48/351227348.db2.gz BDOYETWBHLZZIP-LBPRGKRZSA-N 1 0 250.346 0.792 10 0 CCAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCOCCO ZINC000178331242 351228518 /nfs/dbraw/zinc/22/85/18/351228518.db2.gz LVVBXHRNSDFCEG-ZDUSSCGKSA-N 1 0 253.346 0.665 10 0 CCAERO CC[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1cnn(C)c1 ZINC000180498696 351287006 /nfs/dbraw/zinc/28/70/06/351287006.db2.gz YZJPKACYCYDKSI-QWHCGFSZSA-N 1 0 252.362 0.791 10 0 CCAERO CC(=O)N1CCC(CNC(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000180950549 351296255 /nfs/dbraw/zinc/29/62/55/351296255.db2.gz DCIRGBSFTMCQOC-HNNXBMFYSA-N 1 0 281.400 0.893 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ncnn1C ZINC000181279496 351310511 /nfs/dbraw/zinc/31/05/11/351310511.db2.gz HNBCBDSDIWAAPA-SNVBAGLBSA-N 1 0 266.349 0.763 10 0 CCAERO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCC(=O)NCC1CC1 ZINC000183778457 351390454 /nfs/dbraw/zinc/39/04/54/351390454.db2.gz MIAQOLJGNFYDEV-CYBMUJFWSA-N 1 0 296.415 0.494 10 0 CCAERO O=c1[nH]c2ccccc2cc1C[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000184011183 351398135 /nfs/dbraw/zinc/39/81/35/351398135.db2.gz KTHCMXHCZMQFOD-OLZOCXBDSA-N 1 0 274.320 0.456 10 0 CCAERO CCc1nc2n(n1)C[C@H](NC(=O)C[NH2+]C1CC1)CC2 ZINC000182176439 351349891 /nfs/dbraw/zinc/34/98/91/351349891.db2.gz DRMLPICVDHWRNH-SNVBAGLBSA-N 1 0 263.345 0.024 10 0 CCAERO Cn1nccc1CCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000185369085 351445175 /nfs/dbraw/zinc/44/51/75/351445175.db2.gz IMFZHBLDRGEFQP-CYBMUJFWSA-N 1 0 262.357 0.659 10 0 CCAERO CCCCCS(=O)(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000184530911 351413861 /nfs/dbraw/zinc/41/38/61/351413861.db2.gz PLLYFNBHZHBWLM-CYBMUJFWSA-N 1 0 292.445 0.943 10 0 CCAERO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000184740205 351421069 /nfs/dbraw/zinc/42/10/69/351421069.db2.gz QIHLSXDXCOCZNC-IYIPPKHMSA-N 1 0 284.400 0.497 10 0 CCAERO COCCOCC(=O)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186490586 351498293 /nfs/dbraw/zinc/49/82/93/351498293.db2.gz FWWNECARTPBWTB-LLVKDONJSA-N 1 0 256.346 0.392 10 0 CCAERO CCOCCONC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000186008689 351471947 /nfs/dbraw/zinc/47/19/47/351471947.db2.gz ABCSNRDHUGDFOE-RYUDHWBXSA-N 1 0 271.361 0.833 10 0 CCAERO CCOC(=O)c1nn(C)cc1C[NH2+]CCn1cc(C)cn1 ZINC000186339997 351491312 /nfs/dbraw/zinc/49/13/12/351491312.db2.gz RFECVKAYYMKGHZ-UHFFFAOYSA-N 1 0 291.355 0.892 10 0 CCAERO CN1CCCN(C(=O)NCCC2CC[NH+](C)CC2)CC1=O ZINC000188291818 351585554 /nfs/dbraw/zinc/58/55/54/351585554.db2.gz OERAYACZWLIGKO-UHFFFAOYSA-N 1 0 296.415 0.592 10 0 CCAERO Cc1c([C@H](C)NC(=O)c2[nH]nc3c2C[NH2+]CC3)cnn1C ZINC000188384635 351590539 /nfs/dbraw/zinc/59/05/39/351590539.db2.gz VSRLDGHGAPLVKI-QMMMGPOBSA-N 1 0 288.355 0.588 10 0 CCAERO O=C(NC[C@H]1CCCC[C@H]1O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188597177 351610183 /nfs/dbraw/zinc/61/01/83/351610183.db2.gz PJYOMWSZIPEBDZ-BXKDBHETSA-N 1 0 278.356 0.336 10 0 CCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H](C)C[C@@H](O)c2ccccc2)C1 ZINC000187854540 351559215 /nfs/dbraw/zinc/55/92/15/351559215.db2.gz LQSXGEHOPFJCOP-FAAHXZRKSA-N 1 0 292.379 0.992 10 0 CCAERO CSC[C@@H](O)C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000187886085 351561318 /nfs/dbraw/zinc/56/13/18/351561318.db2.gz RPBNMLJXTUUTEC-PWSUYJOCSA-N 1 0 255.387 0.933 10 0 CCAERO C[C@@H](c1nnnn1C)N1CCC(c2cc[nH]n2)CC1 ZINC000188995427 351644479 /nfs/dbraw/zinc/64/44/79/351644479.db2.gz CIQKEHUTWMHDEZ-VIFPVBQESA-N 1 0 261.333 0.874 10 0 CCAERO CC(C)COC(=O)[C@H](C)NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188987080 351644871 /nfs/dbraw/zinc/64/48/71/351644871.db2.gz XCTSTPQAHAIJGJ-LPEHRKFASA-N 1 0 260.309 0.390 10 0 CCAERO CCOCCN1CCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@@H]1C ZINC000188762291 351625853 /nfs/dbraw/zinc/62/58/53/351625853.db2.gz RZLBOMXTNYADOJ-RWMBFGLXSA-N 1 0 287.379 0.256 10 0 CCAERO O=S(=O)(CC[NH+]1CCCC1)N1CC[C@]2(CCOC2)C1 ZINC000189443517 351680319 /nfs/dbraw/zinc/68/03/19/351680319.db2.gz KTPRNVAPRWQIBA-ZDUSSCGKSA-N 1 0 288.413 0.524 10 0 CCAERO O=S(=O)(CC[NH+]1CCCC1)N1CC[C@@]2(CCOC2)C1 ZINC000189443535 351680430 /nfs/dbraw/zinc/68/04/30/351680430.db2.gz KTPRNVAPRWQIBA-CYBMUJFWSA-N 1 0 288.413 0.524 10 0 CCAERO CCC(CC)(CO)CNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000189306551 351667197 /nfs/dbraw/zinc/66/71/97/351667197.db2.gz DLMGBIZCEIGGTJ-WDEREUQCSA-N 1 0 258.362 0.278 10 0 CCAERO C[C@@H](C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@H](C)[NH3+] ZINC000192109234 351783869 /nfs/dbraw/zinc/78/38/69/351783869.db2.gz PJJHZOHFPYFLAZ-HZSPNIEDSA-N 1 0 283.416 0.541 10 0 CCAERO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCCNC(=O)[C@@H]1C ZINC000191448082 351758994 /nfs/dbraw/zinc/75/89/94/351758994.db2.gz FSSTWACNQSCDPT-OLZOCXBDSA-N 1 0 296.415 0.781 10 0 CCAERO C[C@H](CNC(=O)N1CCCNC(=O)[C@H]1C)C[NH+]1CCCC1 ZINC000191449659 351759133 /nfs/dbraw/zinc/75/91/33/351759133.db2.gz CJCINYBITNVUFO-CHWSQXEVSA-N 1 0 296.415 0.638 10 0 CCAERO CC1(C)CC[C@@H](CNS(=O)(=O)CC[NH+]2CCCC2)O1 ZINC000192915246 351803592 /nfs/dbraw/zinc/80/35/92/351803592.db2.gz MLQUPQXIDNCIIS-LBPRGKRZSA-N 1 0 290.429 0.959 10 0 CCAERO CC(C)n1nnnc1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193616810 351836217 /nfs/dbraw/zinc/83/62/17/351836217.db2.gz FALZEUXMVWATPE-PHIMTYICSA-N 1 0 250.350 0.247 10 0 CCAERO C[NH2+]CC(=O)N1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000193128411 351812646 /nfs/dbraw/zinc/81/26/46/351812646.db2.gz FSVANQLQTSXNIQ-UHFFFAOYSA-N 1 0 297.380 0.162 10 0 CCAERO C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)cn2)C1 ZINC000193188278 351816203 /nfs/dbraw/zinc/81/62/03/351816203.db2.gz YADHTXMURFCIND-JTQLQIEISA-N 1 0 296.758 0.836 10 0 CCAERO C[C@@H]1C[N@@H+](C2CCN(C(=O)Cn3cccn3)CC2)CCO1 ZINC000193666338 351840432 /nfs/dbraw/zinc/84/04/32/351840432.db2.gz ATLIKMHMFDWGQJ-CYBMUJFWSA-N 1 0 292.383 0.595 10 0 CCAERO COC(=O)c1ccc(=O)n(CC[NH+]2CCCCC2)n1 ZINC000194398859 351868521 /nfs/dbraw/zinc/86/85/21/351868521.db2.gz YEKWIMCEMGMFQH-UHFFFAOYSA-N 1 0 265.313 0.516 10 0 CCAERO Cc1ccn(CC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c(=O)c1 ZINC000194607163 351876502 /nfs/dbraw/zinc/87/65/02/351876502.db2.gz WUKBFVOIUROGRB-ZDUSSCGKSA-N 1 0 275.352 0.463 10 0 CCAERO COC(=O)C[C@H]1C[C@H]([NH3+])CN1C(=O)OC(C)(C)C ZINC000213712023 351931720 /nfs/dbraw/zinc/93/17/20/351931720.db2.gz BABLHJNREHQQCJ-DTWKUNHWSA-N 1 0 258.318 0.886 10 0 CCAERO CN1N=C(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CCC1=O ZINC000195079757 351896543 /nfs/dbraw/zinc/89/65/43/351896543.db2.gz UVIGGSNISUJCQV-NSHDSACASA-N 1 0 278.356 0.291 10 0 CCAERO NC(=O)NCCCCC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195086256 351896649 /nfs/dbraw/zinc/89/66/49/351896649.db2.gz POIOEPRCUUBOSI-GFCCVEGCSA-N 1 0 282.388 0.522 10 0 CCAERO Cc1csc(=O)n1CCC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195323287 351910216 /nfs/dbraw/zinc/91/02/16/351910216.db2.gz JBYQCYBFVTXPEZ-LBPRGKRZSA-N 1 0 295.408 0.915 10 0 CCAERO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CNC(=O)C3)CC[C@@H]21 ZINC000223943274 351992553 /nfs/dbraw/zinc/99/25/53/351992553.db2.gz CSJQICANBGGTNC-WOPDTQHZSA-N 1 0 265.357 0.065 10 0 CCAERO O=C1c2ccccc2C(=O)N1CC[N@H+]1CC[C@@H](CCO)C1 ZINC000227570789 352054784 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XDZUGJLNCWGUQP-CMPLNLGQSA-N 1 0 277.372 0.801 10 0 CCAERO CN(C(=O)C[N@@H+]1CC[C@H](N2CCOCC2)C1)C1CC1 ZINC000173944379 389512339 /nfs/dbraw/zinc/51/23/39/389512339.db2.gz AWMZQOUFSPDFPX-ZDUSSCGKSA-N 1 0 267.373 0.014 10 0 CCAERO [NH3+][C@H]1CCCN(C(=O)N[C@H]2Cc3cccc(O)c3C2)C1 ZINC000334960105 389513622 /nfs/dbraw/zinc/51/36/22/389513622.db2.gz CQSMBBDKVGTVFW-RYUDHWBXSA-N 1 0 275.352 0.992 10 0 CCAERO COCCCNC(=O)[C@@H](C)[N@@H+]1CCCC[C@H](CO)C1 ZINC000374052974 389540294 /nfs/dbraw/zinc/54/02/94/389540294.db2.gz XAUBOWZBWWROOJ-OLZOCXBDSA-N 1 0 272.389 0.622 10 0 CCAERO C[C@H]1COCCN1CC[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000374104838 389546474 /nfs/dbraw/zinc/54/64/74/389546474.db2.gz FYERAMWUUZESFL-STQMWFEESA-N 1 0 279.388 0.705 10 0 CCAERO C[C@@H]1CC2(CCC2)C[N@@H+]1CC(=O)N1CCNC(=O)C1 ZINC000335819447 389611958 /nfs/dbraw/zinc/61/19/58/389611958.db2.gz RVKGNCWMNCAPAL-LLVKDONJSA-N 1 0 265.357 0.209 10 0 CCAERO CN(C(=O)[C@H]1CCNCC1(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000336176394 389627231 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/nfs/dbraw/zinc/60/07/82/390600782.db2.gz ICSITKCLSNOOCJ-UHFFFAOYSA-N 1 0 280.372 0.741 10 0 CCAERO COC[C@]1(C(=O)N(C)Cc2ccccn2)CCC[NH2+]1 ZINC000649354124 390604262 /nfs/dbraw/zinc/60/42/62/390604262.db2.gz JXAXAGSVGMDMSI-AWEZNQCLSA-N 1 0 263.341 0.809 10 0 CCAERO Nc1cc(C[NH2+][C@@H]2CCC[C@@H]2N2CC[C@@H](O)C2)ccn1 ZINC000643960415 390609149 /nfs/dbraw/zinc/60/91/49/390609149.db2.gz VNAMUINFJVGOBT-MCIONIFRSA-N 1 0 276.384 0.571 10 0 CCAERO C[NH2+][C@H](C)CNC(=O)[C@H]1CC(=O)N(CC(C)C)C1 ZINC000647033130 390761116 /nfs/dbraw/zinc/76/11/16/390761116.db2.gz PGBQYZHLXSPCAP-MNOVXSKESA-N 1 0 255.362 0.215 10 0 CCAERO Cc1sc(NC(=O)CN(C)[C@H]2C[NH2+]C[C@@H]2O)c(C)c1C ZINC000572945811 390812511 /nfs/dbraw/zinc/81/25/11/390812511.db2.gz HTYPCCHYNFWVAV-RYUDHWBXSA-N 1 0 297.424 0.876 10 0 CCAERO [NH3+]CCCn1nncc1I ZINC000575524036 390841761 /nfs/dbraw/zinc/84/17/61/390841761.db2.gz PXAOCGRUFXWYIR-UHFFFAOYSA-N 1 0 252.059 0.232 10 0 CCAERO C[C@@]12C[NH2+]C[C@@H]1CN(CN1C(=O)c3ccccc3C1=O)C2 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Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)Nc2ccccn2)cn1 ZINC000261972827 131180736 /nfs/dbraw/zinc/18/07/36/131180736.db2.gz QSPHUTQEXGJUPP-NEPJUHHUSA-N 1 0 271.324 0.757 10 0 CCAERO O=C(Nc1ncccc1O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262209149 131201935 /nfs/dbraw/zinc/20/19/35/131201935.db2.gz IQSOEMHSMHVJPE-UHFFFAOYSA-N 1 0 287.323 0.701 10 0 CCAERO O=C(Nc1cnn(-c2ccccc2)c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262364933 131215464 /nfs/dbraw/zinc/21/54/64/131215464.db2.gz JEBLFSYEYLRWRL-OLZOCXBDSA-N 1 0 272.308 0.534 10 0 CCAERO CN[C@@H](C(=O)NCC[NH+](C(C)C)C(C)C)c1cnn(C)c1 ZINC000262446077 131221563 /nfs/dbraw/zinc/22/15/63/131221563.db2.gz VKOKMAGDCNNYAD-CQSZACIVSA-N 1 0 295.431 0.916 10 0 CCAERO CCC(CC)c1cc(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)on1 ZINC000262530513 131230664 /nfs/dbraw/zinc/23/06/64/131230664.db2.gz PLSHTGOWFWLAOD-MFKMUULPSA-N 1 0 281.356 0.917 10 0 CCAERO CCC[C@@H]([NH3+])C(=O)NCCNC(=O)c1ccc(O)cc1 ZINC000262694551 131251342 /nfs/dbraw/zinc/25/13/42/131251342.db2.gz DCTWCAOTUQOAML-GFCCVEGCSA-N 1 0 279.340 0.366 10 0 CCAERO CN1CCO[C@@H](CNC(=O)N[C@@H]2CCCc3c[nH]nc32)C1 ZINC000268867010 132079211 /nfs/dbraw/zinc/07/92/11/132079211.db2.gz KRYYACIIVWCMBW-NWDGAFQWSA-N 1 0 293.371 0.417 10 0 CCAERO COC(=O)NC(C)(C)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000171476859 335066562 /nfs/dbraw/zinc/06/65/62/335066562.db2.gz ODWHIVCNVFHSHX-LLVKDONJSA-N 1 0 283.372 0.818 10 0 CCAERO CN1C[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1=O ZINC000658243586 413111183 /nfs/dbraw/zinc/11/11/83/413111183.db2.gz OWCOKOGGUGZRCO-YGNMPJRFSA-N 1 0 252.358 0.868 10 0 CCAERO CS(=O)(=O)c1ccc(NC(=O)C2CCC([NH3+])CC2)cn1 ZINC000037627037 397382471 /nfs/dbraw/zinc/38/24/71/397382471.db2.gz XQFSZYGATWLLLG-UHFFFAOYSA-N 1 0 297.380 0.941 10 0 CCAERO CCCn1nc(C)c(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c1C ZINC000262094679 143937179 /nfs/dbraw/zinc/93/71/79/143937179.db2.gz DIBKBQKXTAKKDB-VXGBXAGGSA-N 1 0 280.372 0.220 10 0 CCAERO Cc1cccc(OCC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262097968 143937776 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C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CN1CCCCCC1=O ZINC000335502733 297715293 /nfs/dbraw/zinc/71/52/93/297715293.db2.gz XPUPYXCFIFGTHP-MNOVXSKESA-N 1 0 253.346 0.337 10 0 CCAERO COCCCNC(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247553285 292357867 /nfs/dbraw/zinc/35/78/67/292357867.db2.gz ZLANAXQMJATLLA-OLZOCXBDSA-N 1 0 269.389 0.308 10 0 CCAERO COCCN(CC(C)C)C(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000659263663 413359670 /nfs/dbraw/zinc/35/96/70/413359670.db2.gz YNNCOUPCIVGRBN-AWEZNQCLSA-N 1 0 272.389 0.886 10 0 CCAERO O=C([C@H]1CCCN1C(=O)C1CCCCC1)N1CC[NH2+]CC1 ZINC000020184159 304431245 /nfs/dbraw/zinc/43/12/45/304431245.db2.gz KBBCBKWBKBMBCO-CQSZACIVSA-N 1 0 293.411 0.990 10 0 CCAERO CC[C@@H]1CN(C(=O)[C@]2(COC)CCC[NH2+]2)[C@H](C)CO1 ZINC000659329252 413419065 /nfs/dbraw/zinc/41/90/65/413419065.db2.gz VDECBESZUGXYHO-YRGRVCCFSA-N 1 0 270.373 0.781 10 0 CCAERO C[C@@H]([NH3+])C(=O)N1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000157245286 286906421 /nfs/dbraw/zinc/90/64/21/286906421.db2.gz ZCFKFOCDCXQFNX-SECBINFHSA-N 1 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VYCWUCRKJPUYRN-DGCLKSJQSA-N 1 0 277.372 0.918 10 0 CCAERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(F)c(C(N)=O)c1 ZINC000111265779 411702180 /nfs/dbraw/zinc/70/21/80/411702180.db2.gz BMMIDBLMIOIPQV-GMSGAONNSA-N 1 0 265.288 0.719 10 0 CCAERO CC[C@@H]1CN(C(=O)C(C)(C)N2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000404130376 411792264 /nfs/dbraw/zinc/79/22/64/411792264.db2.gz WJPZMJUQTOJRGY-QWHCGFSZSA-N 1 0 283.416 0.696 10 0 CCAERO Cc1ccc(CNC(=O)C(C)(C)N2CC[NH2+]CC2)o1 ZINC000131278844 411723352 /nfs/dbraw/zinc/72/33/52/411723352.db2.gz UCLSHPMECFAPPM-UHFFFAOYSA-N 1 0 265.357 0.888 10 0 CCAERO C[C@H]1CCC[C@H](C(=O)N2CCC(C(N)=O)CC2)[NH2+]1 ZINC000019512564 170821103 /nfs/dbraw/zinc/82/11/03/170821103.db2.gz DRJGCHIBYBHCRC-GXSJLCMTSA-N 1 0 253.346 0.241 10 0 CCAERO CCc1nnc(CN2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1C ZINC000652352693 412036166 /nfs/dbraw/zinc/03/61/66/412036166.db2.gz NWRCAAPJIMGIDA-FZMZJTMJSA-N 1 0 263.389 0.938 10 0 CCAERO [NH3+]C1CCN(CC(=O)NCCc2ccccc2)CC1 ZINC000020135810 171023320 /nfs/dbraw/zinc/02/33/20/171023320.db2.gz BFZFJXLODBVDRN-UHFFFAOYSA-N 1 0 261.369 0.768 10 0 CCAERO COc1ccccc1NS(=O)(=O)N1CC[NH2+]CC1 ZINC000020247440 171099844 /nfs/dbraw/zinc/09/98/44/171099844.db2.gz XQVUMOPZCSWGTK-UHFFFAOYSA-N 1 0 271.342 0.257 10 0 CCAERO O=S(=O)(Nc1ccccc1Cl)N1CC[NH2+]CC1 ZINC000020247638 171101328 /nfs/dbraw/zinc/10/13/28/171101328.db2.gz CNRJIMGXCFZYEH-UHFFFAOYSA-N 1 0 275.761 0.902 10 0 CCAERO O=S(=O)(Nc1cc(F)cc(F)c1)N1CC[NH2+]CC1 ZINC000020247724 171101452 /nfs/dbraw/zinc/10/14/52/171101452.db2.gz HQTCOQGCEWSPHE-UHFFFAOYSA-N 1 0 277.296 0.527 10 0 CCAERO CCN1CCC[C@H]1C[NH2+][C@@H](C)C(=O)NCCOC ZINC000020316982 171147155 /nfs/dbraw/zinc/14/71/55/171147155.db2.gz LRBVOWOCMPIYQO-RYUDHWBXSA-N 1 0 257.378 0.211 10 0 CCAERO CCOc1ccccc1NC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000020433940 171198936 /nfs/dbraw/zinc/19/89/36/171198936.db2.gz BWWKFQIHSLOHJF-ONGXEEELSA-N 1 0 250.298 0.747 10 0 CCAERO O=C(CC[NH2+][C@H]1CN2CCC1CC2)N1CCCC1 ZINC000020441418 171204684 /nfs/dbraw/zinc/20/46/84/171204684.db2.gz MDPDDFRNWDMWIJ-ZDUSSCGKSA-N 1 0 251.374 0.683 10 0 CCAERO COC(=O)CNS(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000020548329 171245330 /nfs/dbraw/zinc/24/53/30/171245330.db2.gz OILUATULJVNMFR-QMMMGPOBSA-N 1 0 272.326 0.158 10 0 CCAERO C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)N1CC[NH2+]CC1 ZINC000021952540 171340132 /nfs/dbraw/zinc/34/01/32/171340132.db2.gz RMSCOISHIVZIJF-GHMZBOCLSA-N 1 0 261.391 0.399 10 0 CCAERO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CC(N)=O ZINC000022166581 171366349 /nfs/dbraw/zinc/36/63/49/171366349.db2.gz PFDJZDLIHTXJKK-VIFPVBQESA-N 1 0 250.298 0.811 10 0 CCAERO C[C@@H](O)CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653065706 412207725 /nfs/dbraw/zinc/20/77/25/412207725.db2.gz QCVREZNGUXKGOJ-BWZBUEFSSA-N 1 0 254.252 0.271 10 0 CCAERO Cc1ccc(C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)c(O)c1 ZINC000653165029 412249224 /nfs/dbraw/zinc/24/92/24/412249224.db2.gz FBKKEBKHQDVXBB-WCQYABFASA-N 1 0 262.309 0.513 10 0 CCAERO Cc1nn(CC(=O)NC2CC[NH+](C)CC2)c(C)c1N ZINC000035321249 172124676 /nfs/dbraw/zinc/12/46/76/172124676.db2.gz WPCZOTFEXHZRNG-UHFFFAOYSA-N 1 0 265.361 0.293 10 0 CCAERO Cc1cnn(C)c1S(=O)(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000285225313 196225575 /nfs/dbraw/zinc/22/55/75/196225575.db2.gz QBYWVVOXBGYMTN-JTQLQIEISA-N 1 0 272.374 0.053 10 0 CCAERO NC(=O)c1cc([C@@H]2C[NH2+]CCO2)nc2ccccc21 ZINC000035605778 172292925 /nfs/dbraw/zinc/29/29/25/172292925.db2.gz IIHWFNYEFLEVDZ-ZDUSSCGKSA-N 1 0 257.293 0.995 10 0 CCAERO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000035735685 172388576 /nfs/dbraw/zinc/38/85/76/172388576.db2.gz ITEKVXLOUAKQTO-BBBLOLIVSA-N 1 0 257.334 0.378 10 0 CCAERO O=C([C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N(CCO)C1CC1 ZINC000036136827 172460481 /nfs/dbraw/zinc/46/04/81/172460481.db2.gz HAPSDBBMRVBSJE-WCFLWFBJSA-N 1 0 252.358 0.890 10 0 CCAERO [NH3+]C[C@H]1CCCCC[C@@H]1N1CCS(=O)(=O)CC1 ZINC000036159964 172479982 /nfs/dbraw/zinc/47/99/82/172479982.db2.gz PFZUDZVCXIPPLA-NEPJUHHUSA-N 1 0 260.403 0.624 10 0 CCAERO [NH3+][C@H]1CC[C@@H]2CN(S(=O)(=O)c3cc[nH]c3)C[C@@H]2C1 ZINC000036267309 172561829 /nfs/dbraw/zinc/56/18/29/172561829.db2.gz VWMDMRHCQWIEDR-VWYCJHECSA-N 1 0 269.370 0.763 10 0 CCAERO COc1ccc(C[C@@H](C)[NH2+]CCS(N)(=O)=O)cc1 ZINC000036744712 172672435 /nfs/dbraw/zinc/67/24/35/172672435.db2.gz BHZZNHYYCBYLIB-SNVBAGLBSA-N 1 0 272.370 0.504 10 0 CCAERO Cc1n[nH]c(C)c1NC(=O)CN1CCC[NH2+]CC1 ZINC000036946417 172821904 /nfs/dbraw/zinc/82/19/04/172821904.db2.gz FNNNXIUSGOWLHI-UHFFFAOYSA-N 1 0 251.334 0.260 10 0 CCAERO C[NH2+]Cc1cc(OC)ccc1OC[C@H](C)C(N)=O ZINC000037226761 173046651 /nfs/dbraw/zinc/04/66/51/173046651.db2.gz QKCUJVWLBSLTIA-VIFPVBQESA-N 1 0 252.314 0.915 10 0 CCAERO C[NH2+]Cc1ccc(OC)c(OC[C@H](C)C(N)=O)c1 ZINC000037226871 173047451 /nfs/dbraw/zinc/04/74/51/173047451.db2.gz WESHROXSGWSSOQ-VIFPVBQESA-N 1 0 252.314 0.915 10 0 CCAERO COC1CC[NH+]([C@]2(CN)CN3CCC2CC3)CC1 ZINC000037265934 173074738 /nfs/dbraw/zinc/07/47/38/173074738.db2.gz FFCGDWNHTBVCNO-CQSZACIVSA-N 1 0 253.390 0.520 10 0 CCAERO CC[NH2+]C1CCN([C@H](C)C(=O)NCCCOC)CC1 ZINC000037537001 173256086 /nfs/dbraw/zinc/25/60/86/173256086.db2.gz IAUVGZJNAPQASD-GFCCVEGCSA-N 1 0 271.405 0.602 10 0 CCAERO CC[C@@H]([NH3+])Cc1ccc(OCC(N)=O)c(OC)c1 ZINC000037727301 173646131 /nfs/dbraw/zinc/64/61/31/173646131.db2.gz APKRNHKHTLNUTH-SNVBAGLBSA-N 1 0 252.314 0.839 10 0 CCAERO O=S1(=O)C[C@@H](O)[C@H]([NH2+]CCC2CCCCC2)C1 ZINC000037741862 173663412 /nfs/dbraw/zinc/66/34/12/173663412.db2.gz JIWSUBNZVOLGKS-VXGBXAGGSA-N 1 0 261.387 0.704 10 0 CCAERO O=C(C1CC1)N1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000037805225 173745782 /nfs/dbraw/zinc/74/57/82/173745782.db2.gz SKPVHSWXTOWCGZ-GFCCVEGCSA-N 1 0 265.357 0.067 10 0 CCAERO CC(C)[NH2+][C@@H](C(N)=O)c1ccc2c(c1)OCCO2 ZINC000037869293 173814923 /nfs/dbraw/zinc/81/49/23/173814923.db2.gz DXMPXXZXIVPFAR-GFCCVEGCSA-N 1 0 250.298 0.982 10 0 CCAERO C[NH+](C)CCCNc1cc(N)cc(S(N)(=O)=O)c1 ZINC000037934064 173875020 /nfs/dbraw/zinc/87/50/20/173875020.db2.gz XPCMBBKAMGLAEL-UHFFFAOYSA-N 1 0 272.374 0.280 10 0 CCAERO COc1cccc([C@@H](NCC[NH+](C)C)C(N)=O)c1 ZINC000038000828 173963491 /nfs/dbraw/zinc/96/34/91/173963491.db2.gz VDFIMBINTGFQNY-GFCCVEGCSA-N 1 0 251.330 0.373 10 0 CCAERO CCOCCOC[C@@H](O)C[NH2+]CCC(=O)N[C@@H](C)CC ZINC000038014368 173986167 /nfs/dbraw/zinc/98/61/67/173986167.db2.gz KMMYSMKCGZASIX-STQMWFEESA-N 1 0 290.404 0.295 10 0 CCAERO C[C@@H](c1cccc(O)c1)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000038030937 174023978 /nfs/dbraw/zinc/02/39/78/174023978.db2.gz VYEKJTSTCQHWAT-LBPRGKRZSA-N 1 0 277.368 0.817 10 0 CCAERO CN(CC(=O)N1CC[NH2+]CC1)C[C@@H](O)c1ccccc1 ZINC000038031598 174026220 /nfs/dbraw/zinc/02/62/20/174026220.db2.gz MGGHFTHKNBAUOG-CQSZACIVSA-N 1 0 277.368 0.084 10 0 CCAERO CCOCC[NH2+]CCCN(CC)S(C)(=O)=O ZINC000038035655 174033902 /nfs/dbraw/zinc/03/39/02/174033902.db2.gz BYALTPHFZAEXMS-UHFFFAOYSA-N 1 0 252.380 0.284 10 0 CCAERO CCN(CCC[NH2+]C[C@H](O)c1ccco1)S(C)(=O)=O ZINC000038035690 174034108 /nfs/dbraw/zinc/03/41/08/174034108.db2.gz UVNRXDUZADPYFX-NSHDSACASA-N 1 0 290.385 0.574 10 0 CCAERO Cc1cc(CS(=O)(=O)N[C@@H]2CCCC[C@@H]2[NH3+])no1 ZINC000038050412 174061835 /nfs/dbraw/zinc/06/18/35/174061835.db2.gz YLNYWQSWUFYRLI-WDEREUQCSA-N 1 0 273.358 0.672 10 0 CCAERO CCC(C)(C)NC(=O)[C@H](C)[NH2+]C[C@@H]1COCCO1 ZINC000038061845 174073246 /nfs/dbraw/zinc/07/32/46/174073246.db2.gz CITYZKGHAFSENU-WDEREUQCSA-N 1 0 258.362 0.685 10 0 CCAERO CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000038083815 174093608 /nfs/dbraw/zinc/09/36/08/174093608.db2.gz LJBKKUOUXZFPLJ-GXSJLCMTSA-N 1 0 262.375 0.055 10 0 CCAERO C[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)C(=O)NC(C)(C)C ZINC000038084219 174094306 /nfs/dbraw/zinc/09/43/06/174094306.db2.gz IQPQUOCQEWRPGO-NXEZZACHSA-N 1 0 276.402 0.314 10 0 CCAERO NC(=[NH2+])c1ccccc1O[C@H]1CCS(=O)(=O)C1 ZINC000038084916 174095114 /nfs/dbraw/zinc/09/51/14/174095114.db2.gz UGTPOGMYXBFPDK-QMMMGPOBSA-N 1 0 254.311 0.537 10 0 CCAERO CCS(=O)(=O)CCOc1cccc(C(N)=[NH2+])c1 ZINC000038085829 174097076 /nfs/dbraw/zinc/09/70/76/174097076.db2.gz JEQPDHNISDEEEP-UHFFFAOYSA-N 1 0 256.327 0.784 10 0 CCAERO CCOC(=O)CN(C(=O)[C@@H]1CCCC[NH2+]1)C(C)C ZINC000038101171 174116276 /nfs/dbraw/zinc/11/62/76/174116276.db2.gz YREYEBQYGXLZLD-NSHDSACASA-N 1 0 256.346 0.929 10 0 CCAERO CCC(=O)N1CCCN(C(=O)[C@@](C)([NH3+])C2CC2)CC1 ZINC000038101619 174117956 /nfs/dbraw/zinc/11/79/56/174117956.db2.gz YZISQYZFGJMBAM-AWEZNQCLSA-N 1 0 267.373 0.585 10 0 CCAERO [NH3+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N1CCCCC1 ZINC000040750337 174395326 /nfs/dbraw/zinc/39/53/26/174395326.db2.gz SKPJEZUKZXQPSM-YHWZYXNKSA-N 1 0 251.374 0.953 10 0 CCAERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1c(Cl)cnn1C ZINC000662774080 414781664 /nfs/dbraw/zinc/78/16/64/414781664.db2.gz LDANOXZSTIYGSF-VXNVDRBHSA-N 1 0 256.737 0.944 10 0 CCAERO Cn1ncc(Cl)c1C(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000662778184 414785010 /nfs/dbraw/zinc/78/50/10/414785010.db2.gz FKSPQCWTWRSVRO-ZJUUUORDSA-N 1 0 284.747 0.276 10 0 CCAERO C[C@@H]([NH3+])CCNC(=O)c1nn(C)cc1Br ZINC000662407606 414715350 /nfs/dbraw/zinc/71/53/50/414715350.db2.gz FMXGXAJGMZNYOP-ZCFIWIBFSA-N 1 0 275.150 0.650 10 0 CCAERO CN1C[C@@H](CNC(=O)[C@H](C[NH3+])c2ccccc2)CC1=O ZINC000662696407 414742808 /nfs/dbraw/zinc/74/28/08/414742808.db2.gz ZNXJQRUPFSLARK-DGCLKSJQSA-N 1 0 275.352 0.323 10 0 CCAERO CN(CC1=CCCOC1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000662872971 414857572 /nfs/dbraw/zinc/85/75/72/414857572.db2.gz RRYZUYXIFZWBMT-GFCCVEGCSA-N 1 0 254.330 0.028 10 0 CCAERO CN(C(=O)CCn1cncn1)[C@H](C[NH3+])C(F)(F)F ZINC000662978021 414932654 /nfs/dbraw/zinc/93/26/54/414932654.db2.gz OCSJISLQSFISKY-SSDOTTSWSA-N 1 0 265.239 0.016 10 0 CCAERO CN1C[C@@H](CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1=O ZINC000662886374 414869684 /nfs/dbraw/zinc/86/96/84/414869684.db2.gz FRQHZGUDTROBAE-PWSUYJOCSA-N 1 0 267.373 0.359 10 0 CCAERO CN1C[C@@H](CNC(=O)c2ccccc2CC[NH3+])CC1=O ZINC000662886851 414870556 /nfs/dbraw/zinc/87/05/56/414870556.db2.gz PAKJQPIQLVAANV-LLVKDONJSA-N 1 0 275.352 0.396 10 0 CCAERO CO[C@H](CNC(=O)[C@H]1C[NH2+]CCOC1)C1CCCCC1 ZINC000662928638 414897938 /nfs/dbraw/zinc/89/79/38/414897938.db2.gz RPWOHWMLFZYLOH-UONOGXRCSA-N 1 0 284.400 0.934 10 0 CCAERO CCC(CC)N(CCO)S(=O)(=O)C[C@@H]1CCC[NH2+]C1 ZINC000042526695 174776661 /nfs/dbraw/zinc/77/66/61/174776661.db2.gz YLKSYPADGYAVGA-GFCCVEGCSA-N 1 0 292.445 0.799 10 0 CCAERO CC[C@H](C)[C@H](C)NC(=O)[C@H]([NH3+])CCS(C)(=O)=O ZINC000042558889 174794710 /nfs/dbraw/zinc/79/47/10/174794710.db2.gz SYBIVSCVGWCKGQ-LPEHRKFASA-N 1 0 264.391 0.299 10 0 CCAERO C[C@@]1(C(F)F)CN(C(=O)C2([NH3+])CCOCC2)CCO1 ZINC000663009182 414947640 /nfs/dbraw/zinc/94/76/40/414947640.db2.gz PPLYRZVJAFUQKJ-NSHDSACASA-N 1 0 278.299 0.377 10 0 CCAERO C[C@]1(C(F)F)CN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CCO1 ZINC000663007423 414948075 /nfs/dbraw/zinc/94/80/75/414948075.db2.gz HPHXQAFJAQLPBP-KBVBSXBZSA-N 1 0 262.300 0.996 10 0 CCAERO CCC(CC)N(CCOC)S(=O)(=O)N(C)CCC[NH3+] ZINC000042680565 174835384 /nfs/dbraw/zinc/83/53/84/174835384.db2.gz PBBNJJIOPDWZGO-UHFFFAOYSA-N 1 0 295.449 0.649 10 0 CCAERO C[C@]1([NH2+]Cc2cccc(C(N)=O)c2)CCS(=O)(=O)C1 ZINC000044930517 175279779 /nfs/dbraw/zinc/27/97/79/175279779.db2.gz LPWZDSOQFZCYBV-ZDUSSCGKSA-N 1 0 282.365 0.452 10 0 CCAERO CN(CC(=O)N1CCC(=O)CC1)C[C@@H]1CC[N@H+](C)C1 ZINC000071189896 176065874 /nfs/dbraw/zinc/06/58/74/176065874.db2.gz GIQBFIVXNUGFTJ-GFCCVEGCSA-N 1 0 267.373 0.061 10 0 CCAERO Cn1ncc2c1ncn(CCC[C@@H]1CCC[NH2+]1)c2=O ZINC000071204846 176079208 /nfs/dbraw/zinc/07/92/08/176079208.db2.gz WURZDPXSBBOPKW-JTQLQIEISA-N 1 0 261.329 0.662 10 0 CCAERO [NH3+]Cc1cc(S(=O)(=O)NCc2cn[nH]c2)ccc1F ZINC000071243585 176094275 /nfs/dbraw/zinc/09/42/75/176094275.db2.gz NHRSHFVHZJDLQY-UHFFFAOYSA-N 1 0 284.316 0.486 10 0 CCAERO OCCN1CCC[N@H+](CCCn2ccnc2)CC1 ZINC000071350551 176133298 /nfs/dbraw/zinc/13/32/98/176133298.db2.gz GUOLNGHZHSJZRT-UHFFFAOYSA-N 1 0 252.362 0.273 10 0 CCAERO CC(C)n1c(C[NH3+])nnc1SCCC(=O)N(C)C ZINC000071374540 176140051 /nfs/dbraw/zinc/14/00/51/176140051.db2.gz PSLAZNSLLWOMFI-UHFFFAOYSA-N 1 0 271.390 0.888 10 0 CCAERO 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267.373 0.062 10 0 CCAERO CCCNC(=O)CN(CCC)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079517793 544474442 /nfs/dbraw/zinc/47/44/42/544474442.db2.gz DTHSZFUKQBIRHQ-CQSZACIVSA-N 1 0 269.389 0.893 10 0 CCAERO O[C@H](C[NH2+]C[C@@H]1CCC[C@@H]1O)COCc1ccco1 ZINC000089169311 544511616 /nfs/dbraw/zinc/51/16/16/544511616.db2.gz JGHBWZFTQGIFBF-SCRDCRAPSA-N 1 0 269.341 0.908 10 0 CCAERO CC(C)C(=O)N1CCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000089456008 544512823 /nfs/dbraw/zinc/51/28/23/544512823.db2.gz SACHBDVFIYQLBY-STQMWFEESA-N 1 0 281.400 0.688 10 0 CCAERO [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CCN(c2ncccn2)CC1 ZINC000089449362 544513770 /nfs/dbraw/zinc/51/37/70/544513770.db2.gz RNAXBIXAOAWDQQ-OLZOCXBDSA-N 1 0 289.383 0.500 10 0 CCAERO CN(CC(=O)N1CCCC1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091543160 544527637 /nfs/dbraw/zinc/52/76/37/544527637.db2.gz NFANXHNVAMLNOV-GHMZBOCLSA-N 1 0 253.346 0.195 10 0 CCAERO O[C@@H](C[NH2+]CC1CC(O)C1)COc1ccccc1F ZINC000091524395 544527770 /nfs/dbraw/zinc/52/77/70/544527770.db2.gz SQXOLXICNPAUJK-MCIGGMRASA-N 1 0 269.316 0.926 10 0 CCAERO C[C@H](NC(=O)COC1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000111757493 544562749 /nfs/dbraw/zinc/56/27/49/544562749.db2.gz BRZVTKTZIFNTPK-JQWIXIFHSA-N 1 0 256.346 0.439 10 0 CCAERO Cc1nnc2c(NCCOCCC[NH3+])nccn12 ZINC000630534958 419467112 /nfs/dbraw/zinc/46/71/12/419467112.db2.gz BVSCRKQEHOWPSK-UHFFFAOYSA-N 1 0 250.306 0.210 10 0 CCAERO COCC[NH2+]C[C@H](O)CS(=O)(=O)c1ccccc1 ZINC000126470752 544596607 /nfs/dbraw/zinc/59/66/07/544596607.db2.gz TYBAWOPCZSUZQU-NSHDSACASA-N 1 0 273.354 0.057 10 0 CCAERO C[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000147357902 544645418 /nfs/dbraw/zinc/64/54/18/544645418.db2.gz AMJLNXWJDDYCFE-SKDRFNHKSA-N 1 0 270.354 0.601 10 0 CCAERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000147358116 544645542 /nfs/dbraw/zinc/64/55/42/544645542.db2.gz AMJLNXWJDDYCFE-CABZTGNLSA-N 1 0 270.354 0.601 10 0 CCAERO COC(=O)c1ccc(N2CCO[C@@H]([C@@H](C)[NH3+])C2)nc1C ZINC000147701364 544647342 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CCc1nn(C)cc1CN1CC[NH+](C[C@@H](O)CC)CC1 ZINC000180163879 544752460 /nfs/dbraw/zinc/75/24/60/544752460.db2.gz OEIHWNZFUJUHHE-AWEZNQCLSA-N 1 0 280.416 0.871 10 0 CCAERO C[C@@H](C[NH2+][C@@H](C)c1nccn1C)N1CCOCC1 ZINC000182278351 544762589 /nfs/dbraw/zinc/76/25/89/544762589.db2.gz XXDUVPCMYDPIMW-RYUDHWBXSA-N 1 0 252.362 0.791 10 0 CCAERO CNC(=O)[C@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)C(C)C ZINC000183683129 544769159 /nfs/dbraw/zinc/76/91/59/544769159.db2.gz QSWGGVWULIGNEO-GXTWGEPZSA-N 1 0 298.358 0.926 10 0 CCAERO CNC(=O)[C@H]([NH2+]CC(=O)NCc1ccccc1)C(C)C ZINC000183649453 544770273 /nfs/dbraw/zinc/77/02/73/544770273.db2.gz MKGZQZUDKNJIKF-CQSZACIVSA-N 1 0 277.368 0.663 10 0 CCAERO C[C@H](CNC(=O)N(C)CCC[NH+](C)C)N1CCOCC1 ZINC000185365713 544775326 /nfs/dbraw/zinc/77/53/26/544775326.db2.gz LOFMLKITEROXSB-CYBMUJFWSA-N 1 0 286.420 0.300 10 0 CCAERO C[C@@H]1CCN(CCC[NH+]2CCCC2)CCS1(=O)=O ZINC000191713623 287589587 /nfs/dbraw/zinc/58/95/87/287589587.db2.gz QUKGZSTXHMCLHS-CYBMUJFWSA-N 1 0 274.430 0.981 10 0 CCAERO CCOc1cc(NCC[NH2+]CCOC)nc(C)n1 ZINC000215510334 544814022 /nfs/dbraw/zinc/81/40/22/544814022.db2.gz YFNSFVFDYJTXTD-UHFFFAOYSA-N 1 0 254.334 0.832 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)N1CCS(=O)(=O)C[C@@H]1C ZINC000228742016 544845307 /nfs/dbraw/zinc/84/53/07/544845307.db2.gz PIIHWBPQTRRPTG-UWVGGRQHSA-N 1 0 262.375 0.005 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)N[C@@H](C)C(=O)NC(C)(C)C ZINC000229070546 544847696 /nfs/dbraw/zinc/84/76/96/544847696.db2.gz LRXLUROMNFJJKF-VHSXEESVSA-N 1 0 257.378 0.779 10 0 CCAERO CCC[C@H]([NH3+])C(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000232016944 544861089 /nfs/dbraw/zinc/86/10/89/544861089.db2.gz WPYUHOJSEGUSNZ-GARJFASQSA-N 1 0 253.346 0.241 10 0 CCAERO CO[C@H]1C[NH2+][C@@H](C(=O)NC2Cc3ccccc3C2)C1 ZINC000234942388 544872971 /nfs/dbraw/zinc/87/29/71/544872971.db2.gz JFLHBRLHHWUQOH-ZIAGYGMSSA-N 1 0 260.337 0.647 10 0 CCAERO COC[C@H](C)OC[C@H](O)C[NH2+]CC[C@@H]1CCCO1 ZINC000234836299 544872897 /nfs/dbraw/zinc/87/28/97/544872897.db2.gz YYMZGIDYXMQACR-XQQFMLRXSA-N 1 0 261.362 0.558 10 0 CCAERO CC[C@H]([NH2+]C[C@@H](O)CN1CCCC1=O)[C@@H]1CCCO1 ZINC000248642627 544915095 /nfs/dbraw/zinc/91/50/95/544915095.db2.gz ZTVBUSAMADYULY-AGIUHOORSA-N 1 0 270.373 0.517 10 0 CCAERO O=C1C[C@H]([N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)C(=O)N1 ZINC000250806162 544925030 /nfs/dbraw/zinc/92/50/30/544925030.db2.gz CNDUKBXRKHIHIN-KWBADKCTSA-N 1 0 252.314 0.029 10 0 CCAERO C[C@@H]1CCC[C@H](CC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)C1 ZINC000261900530 544938177 /nfs/dbraw/zinc/93/81/77/544938177.db2.gz AETOCPXWRQYDGK-MROQNXINSA-N 1 0 254.374 0.899 10 0 CCAERO COc1cc(C)sc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262086116 544939195 /nfs/dbraw/zinc/93/91/95/544939195.db2.gz CSKGOHOLDZREFO-DTWKUNHWSA-N 1 0 270.354 0.375 10 0 CCAERO CSc1ccccc1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262150697 544941814 /nfs/dbraw/zinc/94/18/14/544941814.db2.gz HSNBSITZGHPLFS-MWLCHTKSSA-N 1 0 266.366 0.719 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc(F)c(F)c1F ZINC000262144360 544942285 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CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000332994167 545037813 /nfs/dbraw/zinc/03/78/13/545037813.db2.gz HJPCAHYHBATQCE-PWSUYJOCSA-N 1 0 267.373 0.596 10 0 CCAERO CCOc1cc(NC[C@H]2C[NH2+]CCCO2)ncn1 ZINC000390135749 262137194 /nfs/dbraw/zinc/13/71/94/262137194.db2.gz RKUIAPMCMOAWFE-SNVBAGLBSA-N 1 0 252.318 0.666 10 0 CCAERO C[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)n2)C[C@@H]1[NH3+] ZINC000235378289 274332287 /nfs/dbraw/zinc/33/22/87/274332287.db2.gz PLHVOPRBDOHQID-PWSUYJOCSA-N 1 0 271.324 0.687 10 0 CCAERO CCC(=O)N[C@H](C(=O)NC[C@@H](C)[NH2+]C)c1ccccc1 ZINC000261699275 275948686 /nfs/dbraw/zinc/94/86/86/275948686.db2.gz IZUXKCPMCMVXBY-RISCZKNCSA-N 1 0 277.368 0.978 10 0 CCAERO CCC[C@@H](C(=O)NCC1(C(N)=O)CCOCC1)[NH+](C)C ZINC000135809607 276020967 /nfs/dbraw/zinc/02/09/67/276020967.db2.gz DCHOAXNZDYEMFI-NSHDSACASA-N 1 0 285.388 0.115 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@]23CCOC3=O)C1 ZINC000190393279 276176600 /nfs/dbraw/zinc/17/66/00/276176600.db2.gz 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CCAERO CCCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)COC(C)(C)C ZINC000049203733 519888600 /nfs/dbraw/zinc/88/86/00/519888600.db2.gz RHSIWQMKRJVQCT-GHMZBOCLSA-N 1 0 260.378 0.667 10 0 CCAERO CCC[NH2+]C1CCN(CC(=O)NCCOC)CC1 ZINC000049277559 519906823 /nfs/dbraw/zinc/90/68/23/519906823.db2.gz LMJQOCUCJSBSTR-UHFFFAOYSA-N 1 0 257.378 0.213 10 0 CCAERO CCC[NH2+]CC1(CN2CCS(=O)CC2)CCOCC1 ZINC000052182730 519910823 /nfs/dbraw/zinc/91/08/23/519910823.db2.gz MMNSCAFULHXTSV-UHFFFAOYSA-N 1 0 288.457 0.847 10 0 CCAERO CCC[NH2+][C@@H](Cc1cnn(CC)c1)CS(C)(=O)=O ZINC000052789215 520016450 /nfs/dbraw/zinc/01/64/50/520016450.db2.gz VVUPBWMIDADWNS-LBPRGKRZSA-N 1 0 273.402 0.858 10 0 CCAERO CCN[C@@H](CC[N@H+](C)CCc1ccccn1)C(N)=O ZINC000062438897 520084538 /nfs/dbraw/zinc/08/45/38/520084538.db2.gz YKEUMIFYWNQGEN-ZDUSSCGKSA-N 1 0 264.373 0.409 10 0 CCAERO CC[NH2+][C@](C)(CSc1cc(C)nn1C)C(N)=O ZINC000052311837 520233933 /nfs/dbraw/zinc/23/39/33/520233933.db2.gz QLNQMBGRQZNUDN-LLVKDONJSA-N 1 0 256.375 0.674 10 0 CCAERO 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CCNC(=O)CN(C)C(=O)[C@H]1CCC[C@H](C)[C@@H]1[NH3+] ZINC000055139545 521736166 /nfs/dbraw/zinc/73/61/66/521736166.db2.gz FMSHLTLWEUWIGU-NHCYSSNCSA-N 1 0 255.362 0.344 10 0 CCAERO CCNC(=O)CN(CC)C(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050946048 521736319 /nfs/dbraw/zinc/73/63/19/521736319.db2.gz NOZZOFHQSJMBSX-LBPRGKRZSA-N 1 0 269.389 0.893 10 0 CCAERO C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccon2)CCO1 ZINC000183611241 521853205 /nfs/dbraw/zinc/85/32/05/521853205.db2.gz YTPSRPKBUFLDKE-SECBINFHSA-N 1 0 254.290 0.469 10 0 CCAERO C[NH2+]Cc1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC000052480250 522128653 /nfs/dbraw/zinc/12/86/53/522128653.db2.gz ABAGLOOZDXVDMO-UHFFFAOYSA-N 1 0 268.382 0.636 10 0 CCAERO C[NH2+]Cc1nnnn1-c1ccccc1OC(F)F ZINC000054745026 522158473 /nfs/dbraw/zinc/15/84/73/522158473.db2.gz VWUKCHQWOBIAHI-UHFFFAOYSA-N 1 0 255.228 0.983 10 0 CCAERO COC(=O)c1coc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000183673286 522356448 /nfs/dbraw/zinc/35/64/48/522356448.db2.gz GMROFEMCMGRZKK-NSHDSACASA-N 1 0 296.323 0.469 10 0 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AWVUFCZGHGUBDP-SNVBAGLBSA-N 1 0 284.404 0.670 10 0 CCAERO COCC[N@H+](C)CCNc1ccnc(C(N)=S)c1 ZINC000061813356 523616239 /nfs/dbraw/zinc/61/62/39/523616239.db2.gz WASJNQAWIIVXON-UHFFFAOYSA-N 1 0 268.386 0.706 10 0 CCAERO COCCN(CC[NH2+]C[C@@H]1CCOC1)CCOC ZINC000053386574 523700628 /nfs/dbraw/zinc/70/06/28/523700628.db2.gz GKWVSNCYUJMTMS-ZDUSSCGKSA-N 1 0 260.378 0.207 10 0 CCAERO CO[C@H](C(=O)N[C@H]1C[NH2+]C[C@@H]1OC)c1ccccc1 ZINC000050438005 523832861 /nfs/dbraw/zinc/83/28/61/523832861.db2.gz JSPDXRCXMZCRSV-AVGNSLFASA-N 1 0 264.325 0.477 10 0 CCAERO CN(C(=O)Cc1csc(N)n1)C1CC[NH+](C)CC1 ZINC000055271047 523853973 /nfs/dbraw/zinc/85/39/73/523853973.db2.gz YJZHUHPPYCQREM-UHFFFAOYSA-N 1 0 268.386 0.820 10 0 CCAERO Cc1cccc(CNS(=O)(=O)C[C@H]2CCC[NH2+]C2)n1 ZINC000051577323 524434754 /nfs/dbraw/zinc/43/47/54/524434754.db2.gz SFDVZUOSKBNBQW-LBPRGKRZSA-N 1 0 283.397 0.809 10 0 CCAERO Cc1cc(C)n(CCCNC(=O)[C@H]2C[NH2+]C[C@H]2C)n1 ZINC000157910487 524521120 /nfs/dbraw/zinc/52/11/20/524521120.db2.gz PWTMYXBVYSZEDK-MFKMUULPSA-N 1 0 264.373 0.862 10 0 CCAERO C[C@@H](CN1CCCCC1)[NH2+]CCN1CCOCC1 ZINC000049501920 524604523 /nfs/dbraw/zinc/60/45/23/524604523.db2.gz FCQVPBUIHOBCOM-AWEZNQCLSA-N 1 0 255.406 0.783 10 0 CCAERO C[C@@H]1CC[C@H](C(=O)N2CCC(C(N)=O)CC2)C[C@@H]1[NH3+] ZINC000055091402 524630509 /nfs/dbraw/zinc/63/05/09/524630509.db2.gz HWLYQUVRBIHZIZ-USWWRNFRSA-N 1 0 267.373 0.474 10 0 CCAERO C[C@H](Cn1ccnc1)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054291590 524784000 /nfs/dbraw/zinc/78/40/00/524784000.db2.gz WDOYTJNHNABSMP-VXGBXAGGSA-N 1 0 250.346 0.778 10 0 CCAERO C[C@H]([NH3+])C(=O)N1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000157245153 524820682 /nfs/dbraw/zinc/82/06/82/524820682.db2.gz ZCFKFOCDCXQFNX-VIFPVBQESA-N 1 0 297.380 0.290 10 0 CCAERO C[C@@H](Cc1ccsc1)[NH2+][C@H]1CS(=O)(=O)C[C@@H]1O ZINC000049182099 524941248 /nfs/dbraw/zinc/94/12/48/524941248.db2.gz WDLWHJVBKRAWOJ-LSJOCFKGSA-N 1 0 275.395 0.427 10 0 CCAERO C[C@H](NC(=O)N1CCO[C@H](C[NH+](C)C)C1)C1CCOCC1 ZINC000151318569 525034796 /nfs/dbraw/zinc/03/47/96/525034796.db2.gz CJVPOOPAPAFOCZ-GXTWGEPZSA-N 1 0 299.415 0.774 10 0 CCAERO Cc1cc(N)c[nH+]c1NC[C@@H]1CCS(=O)(=O)C1 ZINC000052813521 525039769 /nfs/dbraw/zinc/03/97/69/525039769.db2.gz OQRCAICFBYBWBW-VIFPVBQESA-N 1 0 255.343 0.819 10 0 CCAERO CS(=O)(=O)CCN1CCC[C@@H](C[NH2+]C2CC2)C1 ZINC000053656824 525122671 /nfs/dbraw/zinc/12/26/71/525122671.db2.gz MZLSNUCQJXTZNM-NSHDSACASA-N 1 0 260.403 0.495 10 0 CCAERO Cc1n[nH]cc1S(=O)(=O)N[C@H](C)C[NH+]1CCCC1 ZINC000049188660 525501472 /nfs/dbraw/zinc/50/14/72/525501472.db2.gz JENGHCXBDQXGQE-SECBINFHSA-N 1 0 272.374 0.481 10 0 CCAERO C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C(=O)NC1CC1 ZINC000049565269 525571504 /nfs/dbraw/zinc/57/15/04/525571504.db2.gz IWJPVTIMTBRRAN-CYZMBNFOSA-N 1 0 251.374 0.870 10 0 CCAERO C[C@@H]([NH2+][C@@H](C)CN1CCCCC1)C(=O)NC(N)=O ZINC000049501537 525599289 /nfs/dbraw/zinc/59/92/89/525599289.db2.gz QMXBXWIVYOWMRB-VHSXEESVSA-N 1 0 256.350 0.034 10 0 CCAERO C[C@@H](OC[C@@H]1CC[NH2+]C1)C(=O)NCc1ccco1 ZINC000051888165 525908550 /nfs/dbraw/zinc/90/85/50/525908550.db2.gz NORUACBCSOZGIV-GHMZBOCLSA-N 1 0 252.314 0.910 10 0 CCAERO COc1cccc(N(C)S(=O)(=O)CCC[NH3+])c1 ZINC000049972176 526131093 /nfs/dbraw/zinc/13/10/93/526131093.db2.gz AXKPZVVACRPMGJ-UHFFFAOYSA-N 1 0 258.343 0.810 10 0 CCAERO COCc1n[nH]c(CNC(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)n1 ZINC000666120814 545113431 /nfs/dbraw/zinc/11/34/31/545113431.db2.gz UBHGAKVEIOIDHV-VHSXEESVSA-N 1 0 296.375 0.043 10 0 CCAERO O=C(NCc1ccc(F)cc1F)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000051017869 526677003 /nfs/dbraw/zinc/67/70/03/526677003.db2.gz BFKANQVTQPEKMF-KOLCDFICSA-N 1 0 256.252 0.304 10 0 CCAERO NC(=O)[C@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000054289959 527001596 /nfs/dbraw/zinc/00/15/96/527001596.db2.gz AKTCPKPAAZXZQR-QWRGUYRKSA-N 1 0 253.346 0.100 10 0 CCAERO NC(=O)[C@H]1CCCN1C(=O)CCC1CC[NH2+]CC1 ZINC000050940906 527003030 /nfs/dbraw/zinc/00/30/30/527003030.db2.gz DPRJXVWCPCEEPA-LLVKDONJSA-N 1 0 253.346 0.243 10 0 CCAERO O=c1n(CC[NH2+]C[C@H]2CCCO2)nc2n1CCCC2 ZINC000061817934 527494015 /nfs/dbraw/zinc/49/40/15/527494015.db2.gz HKMAGSCRIHHCFG-LLVKDONJSA-N 1 0 266.345 0.150 10 0 CCAERO FC(F)(F)COCC[NH2+]CCN1CCOCC1 ZINC000049310877 527671039 /nfs/dbraw/zinc/67/10/39/527671039.db2.gz KDXFODBKNPMZRT-UHFFFAOYSA-N 1 0 256.268 0.487 10 0 CCAERO CC(C)Oc1cccc(CC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262213984 535033460 /nfs/dbraw/zinc/03/34/60/535033460.db2.gz IYSLFJVNFXLLGD-ZFWWWQNUSA-N 1 0 292.379 0.713 10 0 CCAERO CC(C)Oc1ccccc1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262348189 535055203 /nfs/dbraw/zinc/05/52/03/535055203.db2.gz UGRTZJHZCQTVPM-DGCLKSJQSA-N 1 0 278.352 0.784 10 0 CCAERO CCC[C@]1(CNS(=O)(=O)CCC)C[NH2+]CCO1 ZINC000675058071 545320579 /nfs/dbraw/zinc/32/05/79/545320579.db2.gz QYEZDWKJNFTNPA-LLVKDONJSA-N 1 0 264.391 0.475 10 0 CCAERO CCC[C@@]1(C[NH3+])CN(S(=O)(=O)C2CC2)CCO1 ZINC000675059347 545320897 /nfs/dbraw/zinc/32/08/97/545320897.db2.gz OXMIABXILDHEKT-LLVKDONJSA-N 1 0 262.375 0.308 10 0 CCAERO CCCC(=O)N1C[C@H]2[C@](C[NH3+])(C1)CCCS2(=O)=O ZINC000675072561 545321185 /nfs/dbraw/zinc/32/11/85/545321185.db2.gz FHDPTGPVVSIWMN-CMPLNLGQSA-N 1 0 274.386 0.151 10 0 CCAERO CC(C)NC(=O)NC(=O)[C@H](C)[N@H+](C)CC1CC(O)C1 ZINC000190180579 535274464 /nfs/dbraw/zinc/27/44/64/535274464.db2.gz VQCFTCLGGFCFLJ-WHXUTIOJSA-N 1 0 271.361 0.312 10 0 CCAERO CC1(C)CN(C(=O)CCN2C(=O)CCC2=O)CC[C@@H]1[NH3+] ZINC000261742643 535333576 /nfs/dbraw/zinc/33/35/76/535333576.db2.gz DLBCTUYFGJTUSM-JTQLQIEISA-N 1 0 281.356 0.111 10 0 CCAERO CCCC(=O)NCc1nc([C@H]2C[NH2+]CCN2C)no1 ZINC000263154534 535349666 /nfs/dbraw/zinc/34/96/66/535349666.db2.gz DGJBDYVBHDUUDI-SECBINFHSA-N 1 0 267.333 0.062 10 0 CCAERO CCN(CC)C(=O)[C@H]1CCCN1C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261740891 535468303 /nfs/dbraw/zinc/46/83/03/535468303.db2.gz KLOZUHDBLNKGLC-UPJWGTAASA-N 1 0 297.399 0.352 10 0 CCAERO COc1cc(C[NH2+][C@@H]2CCNC2=O)cc(OC)c1OC ZINC000676234552 545337730 /nfs/dbraw/zinc/33/77/30/545337730.db2.gz CSBMMUZHUUTPTE-SNVBAGLBSA-N 1 0 280.324 0.691 10 0 CCAERO CC[NH+](CC)C[C@@H](C)NC(=O)[C@H](NC)c1cnn(C)c1 ZINC000262415509 535576222 /nfs/dbraw/zinc/57/62/22/535576222.db2.gz RCTVMVDUXVITRF-DGCLKSJQSA-N 1 0 281.404 0.527 10 0 CCAERO COCc1nc(CNC[C@@](C)(O)C[NH+](C)C)cs1 ZINC000676907716 545355183 /nfs/dbraw/zinc/35/51/83/545355183.db2.gz LQLNJFIVYPXMRC-GFCCVEGCSA-N 1 0 273.402 0.692 10 0 CCAERO C[NH2+][C@H](C)CNC(=O)Cn1nnc(-c2ccc(C)cc2)n1 ZINC000261860576 536393041 /nfs/dbraw/zinc/39/30/41/536393041.db2.gz YITOVGAWAPGEJT-LLVKDONJSA-N 1 0 288.355 0.373 10 0 CCAERO COC(=O)C(C)(C)CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261887363 536425348 /nfs/dbraw/zinc/42/53/48/536425348.db2.gz ZVEKXLCHMZCNSR-NXEZZACHSA-N 1 0 256.346 0.677 10 0 CCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)Cc2ccc(O)cc2)C1 ZINC000189298154 536742342 /nfs/dbraw/zinc/74/23/42/536742342.db2.gz UGBAEDYGXGJHSD-LEWSCRJBSA-N 1 0 278.352 0.816 10 0 CCAERO CN(CCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)S(C)(=O)=O ZINC000680651191 545434580 /nfs/dbraw/zinc/43/45/80/545434580.db2.gz STKVLDSVSGPQKN-IJLUTSLNSA-N 1 0 290.429 0.671 10 0 CCAERO Cc1ncc(C[n+]2cccc(CCO)c2C)c(=O)[nH]1 ZINC000013548855 560219682 /nfs/dbraw/zinc/21/96/82/560219682.db2.gz PINBHFPAOLBYDE-UHFFFAOYSA-O 1 0 260.317 0.257 10 0 in-vitro CCAERO C[NH2+][C@](C)(CCn1cc(Br)cn1)C(N)=O ZINC000045437520 570273380 /nfs/dbraw/zinc/27/33/80/570273380.db2.gz JAZZQFMLYNPHIN-SECBINFHSA-N 1 0 275.150 0.499 10 0 CCAERO O=C(C[C@@H]1CSCC[NH2+]1)N[C@@H]1CCC[C@@H](O)C1 ZINC000091134612 581570748 /nfs/dbraw/zinc/57/07/48/581570748.db2.gz JDEZMXXLHPEIAB-GMTAPVOTSA-N 1 0 258.387 0.501 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CC(=O)N(CC)C1 ZINC000253548693 581588683 /nfs/dbraw/zinc/58/86/83/581588683.db2.gz JCOWVIQKWMYRBL-MCIONIFRSA-N 1 0 293.411 0.940 10 0 CCAERO CCN(CC)S(=O)(=O)C[C@@H]([NH3+])[C@H]1CCCOC1 ZINC000757150536 581681030 /nfs/dbraw/zinc/68/10/30/581681030.db2.gz GUONFKCKZNBBKL-WDEREUQCSA-N 1 0 264.391 0.412 10 0 CCAERO [NH3+][C@H](CS(=O)(=O)N1CCCC1)c1cccnc1 ZINC000757152334 581681856 /nfs/dbraw/zinc/68/18/56/581681856.db2.gz KDXNKRDHTXHWLV-LLVKDONJSA-N 1 0 255.343 0.507 10 0 CCAERO CC(C)(C)[C@H]([NH3+])CS(=O)(=O)N1CCOCC1 ZINC000757149778 581697026 /nfs/dbraw/zinc/69/70/26/581697026.db2.gz GDCHTTIITWOAOG-SECBINFHSA-N 1 0 250.364 0.022 10 0 CCAERO CC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000895764124 614126519 /nfs/dbraw/zinc/12/65/19/614126519.db2.gz FMARLCVBOJIWRI-STQMWFEESA-N 1 0 281.400 0.986 10 0 CCAERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CSc2nncn2C)C1 ZINC000155709528 614390395 /nfs/dbraw/zinc/39/03/95/614390395.db2.gz RFTQQMMNFSLHCT-MNOVXSKESA-N 1 0 297.428 0.752 10 0 CCAERO C[C@H](NS(=O)(=O)[C@@H]1CCC[NH2+]C1)[C@H]1CCCO1 ZINC000035735126 625425149 /nfs/dbraw/zinc/42/51/49/625425149.db2.gz CUSJTRNLQLDGGG-HBNTYKKESA-N 1 0 262.375 0.225 10 0 CCAERO CC[C@H]1CN(C(=O)c2n[nH]nc2C)CCN1C[C@@H](C)O ZINC000194216866 625577768 /nfs/dbraw/zinc/57/77/68/625577768.db2.gz YWWLLCAUZKLJKO-KOLCDFICSA-N 1 0 281.360 0.030 10 0 CCAERO CC(C)[N@H+]1C[C@H](N2C(=O)[C@H](C)NC2=S)[C@@H](C)C1 ZINC000176899968 623134590 /nfs/dbraw/zinc/13/45/90/623134590.db2.gz QKFDJZMDAXSTOJ-GUBZILKMSA-N 1 0 255.387 0.820 10 0 CCAERO C[C@@H]1C[NH2+]C[C@H]1c1nc([C@H]2CN3CCN2CC3)no1 ZINC000235273923 623134942 /nfs/dbraw/zinc/13/49/42/623134942.db2.gz KGJQDBRGGJZTOE-GMTAPVOTSA-N 1 0 263.345 0.065 10 0 CCAERO C[C@@H](O)C1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC000235315105 623192248 /nfs/dbraw/zinc/19/22/48/623192248.db2.gz PQBRQFYQBJLGSL-LLVKDONJSA-N 1 0 290.429 0.409 10 0 CCAERO Cn1cc([C@@H]2CCCN2C(=O)[C@]2(F)CC[NH2+]C2)cn1 ZINC000167632065 623395744 /nfs/dbraw/zinc/39/57/44/623395744.db2.gz NLEOBGBFJGRHNL-AAEUAGOBSA-N 1 0 266.320 0.785 10 0 CCAERO COC(=O)N[C@@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)C(C)C ZINC000066652335 623554309 /nfs/dbraw/zinc/55/43/09/623554309.db2.gz IMWNLDHNKKANTQ-WDEREUQCSA-N 1 0 271.361 0.435 10 0 CCAERO CO[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000310877923 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252.289 0.929 10 0 CCAERO O=C(CNC(=O)C1C[NH2+]C1)N1CCCc2ccccc21 ZINC000263322779 137064067 /nfs/dbraw/zinc/06/40/67/137064067.db2.gz RUVBIZNPTKFPFO-UHFFFAOYSA-N 1 0 273.336 0.301 10 0 CCAERO O=C(N[C@H]1CCN(c2ccccc2Cl)C1=O)C1C[NH2+]C1 ZINC000263347199 137064394 /nfs/dbraw/zinc/06/43/94/137064394.db2.gz ZMDOIRSRVFEQMD-NSHDSACASA-N 1 0 293.754 0.781 10 0 CCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CC(=O)N(C(C)C)C(C)C)C1 ZINC000311847740 137076014 /nfs/dbraw/zinc/07/60/14/137076014.db2.gz RZNRQJBUEHCSKG-QWHCGFSZSA-N 1 0 272.389 0.713 10 0 CCAERO CNC(=O)C[C@@H](C)[NH2+]Cc1c(C)nn(C)c1OC ZINC000322493981 137079593 /nfs/dbraw/zinc/07/95/93/137079593.db2.gz DCRNWVCTPDPKON-MRVPVSSYSA-N 1 0 254.334 0.351 10 0 CCAERO O=C(C[C@H]1CCCCNC1=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000332847348 137081748 /nfs/dbraw/zinc/08/17/48/137081748.db2.gz RERXLKFWUHBIOD-CHWSQXEVSA-N 1 0 293.411 0.893 10 0 CCAERO O[C@@H]1C[NH2+]C[C@@H]1CNCc1cn2cc(Cl)ccc2n1 ZINC000263201393 137060013 /nfs/dbraw/zinc/06/00/13/137060013.db2.gz 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C[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1C[NH3+] ZINC000631967384 370795337 /nfs/dbraw/zinc/79/53/37/370795337.db2.gz HMVAEVNGMGULEX-QWRGUYRKSA-N 1 0 254.355 0.902 10 0 CCAERO COc1ccccc1S(=O)(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631967099 370795691 /nfs/dbraw/zinc/79/56/91/370795691.db2.gz CDRXPOOMRHZWEI-MNOVXSKESA-N 1 0 284.381 0.911 10 0 CCAERO C[C@H]1CN(S(=O)(=O)c2c[nH]c3ncccc23)C[C@H]1C[NH3+] ZINC000631967419 370795729 /nfs/dbraw/zinc/79/57/29/370795729.db2.gz HVBRSFKGVONBMU-VHSXEESVSA-N 1 0 294.380 0.778 10 0 CCAERO CS(=O)(=O)CCN(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000220380456 189723167 /nfs/dbraw/zinc/72/31/67/189723167.db2.gz UMUZDYACBDTDCZ-LLVKDONJSA-N 1 0 260.403 0.495 10 0 CCAERO COC(=O)N1CC[NH2+]C[C@@H]1c1ccc(C(N)=O)cc1 ZINC000616636293 365395931 /nfs/dbraw/zinc/39/59/31/365395931.db2.gz HZUWFUHKWNIICK-LLVKDONJSA-N 1 0 263.297 0.498 10 0 CCAERO C[NH2+][C@@H]1CN(CCNC(=O)OC(C)(C)C)CCO1 ZINC000616648441 365407399 /nfs/dbraw/zinc/40/73/99/365407399.db2.gz MEZSSNUTYBFCMB-JTQLQIEISA-N 1 0 259.350 0.389 10 0 CCAERO CC(C)(C)OC(=O)NCC[C@@H]1C[N@H+](CCO)CCCO1 ZINC000616649887 365408540 /nfs/dbraw/zinc/40/85/40/365408540.db2.gz NPDYXDYNGUKQLX-GFCCVEGCSA-N 1 0 288.388 0.984 10 0 CCAERO OCC[N@@H+]1CCOCC[C@@H]1c1ccccc1CO ZINC000616597573 365379505 /nfs/dbraw/zinc/37/95/05/365379505.db2.gz BONGCNYXOGGNOV-CQSZACIVSA-N 1 0 251.326 0.935 10 0 CCAERO NS(=O)(=O)N1CC[NH2+]C[C@H]1c1ccc2ccncc2c1 ZINC000616600203 365381485 /nfs/dbraw/zinc/38/14/85/365381485.db2.gz BNUKKEMAYGXCBP-ZDUSSCGKSA-N 1 0 292.364 0.385 10 0 CCAERO CN(CCO)CC[N@H+](C)[C@H]1CCOC2(CCC2)C1 ZINC000623090417 367448055 /nfs/dbraw/zinc/44/80/55/367448055.db2.gz MWSBRNXEIPOVAM-ZDUSSCGKSA-N 1 0 256.390 0.944 10 0 CCAERO COc1c(C[NH2+]C[C@H]2COCCN2C)c(C)nn1C ZINC000623710498 367626649 /nfs/dbraw/zinc/62/66/49/367626649.db2.gz DQIQMUPNSFTKPX-NSHDSACASA-N 1 0 268.361 0.157 10 0 CCAERO CCCCOC[C@H](O)C[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC000629617027 369741231 /nfs/dbraw/zinc/74/12/31/369741231.db2.gz FOEJNOYNOUWTBP-KGLIPLIRSA-N 1 0 284.400 0.907 10 0 CCAERO O=C(N[C@H]1CCOC[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC000630087590 369945139 /nfs/dbraw/zinc/94/51/39/369945139.db2.gz DIYJLJJMGRNIOU-NWDGAFQWSA-N 1 0 268.357 0.128 10 0 CCAERO CO[C@@H]1CN(S(=O)(=O)Cc2ccccc2)[C@](C)(C[NH3+])C1 ZINC000630359773 370062352 /nfs/dbraw/zinc/06/23/52/370062352.db2.gz FBHBXVNRFFBLMU-KBPBESRZSA-N 1 0 298.408 0.955 10 0 CCAERO CO[C@@H]1CN(C(=O)c2cc(C)n[nH]2)[C@](C)(C[NH3+])C1 ZINC000630367593 370067758 /nfs/dbraw/zinc/06/77/58/370067758.db2.gz OEVSZOSZICWCOC-CABZTGNLSA-N 1 0 252.318 0.296 10 0 CCAERO CO[C@H]1CN(Cc2snnc2C)[C@@](C)(C[NH3+])C1 ZINC000630368576 370068562 /nfs/dbraw/zinc/06/85/62/370068562.db2.gz ROLIGWKMLGIZRO-MWLCHTKSSA-N 1 0 256.375 0.785 10 0 CCAERO CCc1nnsc1C(=O)N1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630367801 370068796 /nfs/dbraw/zinc/06/87/96/370068796.db2.gz PXJGWNFTMPDCNO-UFBFGSQYSA-N 1 0 284.385 0.679 10 0 CCAERO CCc1nnsc1C(=O)N1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630367800 370069118 /nfs/dbraw/zinc/06/91/18/370069118.db2.gz PXJGWNFTMPDCNO-QPUJVOFHSA-N 1 0 284.385 0.679 10 0 CCAERO CO[C@@H]1CN(C(=O)CC[C@@H]2CCCO2)[C@](C)(C[NH3+])C1 ZINC000630368814 370070330 /nfs/dbraw/zinc/07/03/30/370070330.db2.gz IAPREMHADISCEF-OBJOEFQTSA-N 1 0 270.373 0.910 10 0 CCAERO CO[C@H]1CN(CCCc2cncn2C)[C@](C)(C[NH3+])C1 ZINC000630369621 370070719 /nfs/dbraw/zinc/07/07/19/370070719.db2.gz WZPRJMDZYVEBRN-KGLIPLIRSA-N 1 0 266.389 0.791 10 0 CCAERO CO[C@@H]1CN(CC(=O)N2CCC[C@H](C)C2)[C@](C)(C[NH3+])C1 ZINC000630369665 370070792 /nfs/dbraw/zinc/07/07/92/370070792.db2.gz XFDOBWQHIMGQJQ-YDHLFZDLSA-N 1 0 283.416 0.683 10 0 CCAERO CO[C@@H]1CN(C(=O)CCc2ccncc2)[C@@](C)(C[NH3+])C1 ZINC000630371119 370072230 /nfs/dbraw/zinc/07/22/30/370072230.db2.gz JPPQWRSMKZDOLO-DZGCQCFKSA-N 1 0 277.368 0.979 10 0 CCAERO COc1cc(OC)nc(N[C@H]2CC[C@H](C[NH3+])CC2)n1 ZINC000630557172 370168938 /nfs/dbraw/zinc/16/89/38/370168938.db2.gz CGYCFKMBPRHYIU-MGCOHNPYSA-N 1 0 266.345 0.845 10 0 CCAERO [NH3+]C1(CNc2nc(C3CC3)ns2)CCOCC1 ZINC000630524750 370145467 /nfs/dbraw/zinc/14/54/67/370145467.db2.gz XGPWMVWGWGGCRZ-UHFFFAOYSA-N 1 0 254.359 0.757 10 0 CCAERO Cc1nc(N[C@H]2CC[C@@H](C)[NH2+]C2)sc1S(N)(=O)=O ZINC000630533746 370154093 /nfs/dbraw/zinc/15/40/93/370154093.db2.gz QQMMDIJFXBRWQK-SVRRBLITSA-N 1 0 290.414 0.651 10 0 CCAERO COc1cc(OC)nc(N[C@@H]2CC[C@@H](C)[NH2+]C2)n1 ZINC000630534482 370154614 /nfs/dbraw/zinc/15/46/14/370154614.db2.gz XRZXHUXHMWKFRZ-RKDXNWHRSA-N 1 0 252.318 0.468 10 0 CCAERO O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCO[C@@H]2CCCC[C@H]21 ZINC000188390686 296159362 /nfs/dbraw/zinc/15/93/62/296159362.db2.gz ZHENLWOONIIWQV-CHWSQXEVSA-N 1 0 290.367 0.839 10 0 CCAERO O=C(N[C@H]1CCc2ncnn2C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000247439865 284239980 /nfs/dbraw/zinc/23/99/80/284239980.db2.gz XPNHNPYAAVXNQC-RYUDHWBXSA-N 1 0 290.371 0.083 10 0 CCAERO CC(C)NC(=O)CCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634736812 372179629 /nfs/dbraw/zinc/17/96/29/372179629.db2.gz AMMNQGVJBUGGQZ-FZMZJTMJSA-N 1 0 267.373 0.407 10 0 CCAERO C[C@@H]1C[C@@H](NC(=O)[C@]23CCC[C@H]2C[NH2+]C3)CC[N@@H+]1C ZINC000634768526 372216041 /nfs/dbraw/zinc/21/60/41/372216041.db2.gz NQXMFZYDJYJKNO-OSFYFWSMSA-N 1 0 265.401 0.975 10 0 CCAERO [NH3+]CC1(C(=O)N2CCO[C@@H](C(F)F)CC2)CCOCC1 ZINC000634752065 372198047 /nfs/dbraw/zinc/19/80/47/372198047.db2.gz DGNYSVZTGVSSEW-SNVBAGLBSA-N 1 0 292.326 0.625 10 0 CCAERO CCC[C@@H]([NH3+])C(=O)N1CCO[C@@H](C(F)F)CC1 ZINC000634752192 372200397 /nfs/dbraw/zinc/20/03/97/372200397.db2.gz HJQUFODDUGINCP-RKDXNWHRSA-N 1 0 250.289 0.996 10 0 CCAERO CCC[C@@H]([NH3+])C(=O)N1CCO[C@H](C(F)F)CC1 ZINC000634752189 372200542 /nfs/dbraw/zinc/20/05/42/372200542.db2.gz HJQUFODDUGINCP-BDAKNGLRSA-N 1 0 250.289 0.996 10 0 CCAERO C[C@@H](O)C[C@@H](C)CNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634757060 372203677 /nfs/dbraw/zinc/20/36/77/372203677.db2.gz KUGYRUYXEOIMJB-NMKXLXIOSA-N 1 0 254.374 0.899 10 0 CCAERO CC(C)(C)[C@@H](O)C[NH2+][C@@H]1CCCS(=O)(=O)CC1 ZINC000634961124 372314069 /nfs/dbraw/zinc/31/40/69/372314069.db2.gz LNUDXCRUTHQWFK-MNOVXSKESA-N 1 0 263.403 0.950 10 0 CCAERO CC[N@@H+]1CCC[C@H](NC(=O)N(C)CC2(O)CCOCC2)C1 ZINC000333115927 205041303 /nfs/dbraw/zinc/04/13/03/205041303.db2.gz GICKBTQCDOJXKJ-ZDUSSCGKSA-N 1 0 299.415 0.654 10 0 CCAERO CN(CC1CC(O)C1)C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000333115780 205042087 /nfs/dbraw/zinc/04/20/87/205042087.db2.gz UCOYRGDPRVWGEY-PESDSKBTSA-N 1 0 296.411 0.859 10 0 CCAERO CCc1csc(NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)n1 ZINC000333201053 205114525 /nfs/dbraw/zinc/11/45/25/205114525.db2.gz XTYSPEDIGWDUSH-IUCAKERBSA-N 1 0 270.358 0.502 10 0 CCAERO Cc1cc(N(C)C)nc(NC(=O)N[C@H]2CCC[NH2+]C2)n1 ZINC000333243230 205147648 /nfs/dbraw/zinc/14/76/48/205147648.db2.gz BJALVGVUOLZXJU-JTQLQIEISA-N 1 0 278.360 0.725 10 0 CCAERO COc1cnc(NC(=O)N[C@@H]2CC[NH2+]C2(C)C)nc1 ZINC000333298145 205195993 /nfs/dbraw/zinc/19/59/93/205195993.db2.gz KBJDYKNNAMPRPH-SECBINFHSA-N 1 0 265.317 0.747 10 0 CCAERO CN(C(=O)NCCC1=CCCC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333354599 205245067 /nfs/dbraw/zinc/24/50/67/205245067.db2.gz KCTILTZUJTXXCE-RYUDHWBXSA-N 1 0 253.346 0.461 10 0 CCAERO C[C@H]1C[NH2+]CCN1C(=O)NCC[C@@H]1CCCCO1 ZINC000333478013 205357140 /nfs/dbraw/zinc/35/71/40/205357140.db2.gz BBQCUHAFJKQCKE-RYUDHWBXSA-N 1 0 255.362 0.949 10 0 CCAERO CO[C@@H]1COC[C@@H]1[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000333495367 205373275 /nfs/dbraw/zinc/37/32/75/205373275.db2.gz BWVCUFFPEGTFJD-UONOGXRCSA-N 1 0 292.383 0.791 10 0 CCAERO C[C@@H]1CN(C(=O)NC[C@H]2CC[NH2+]C2)C[C@@H](C2CC2)O1 ZINC000333499505 205378338 /nfs/dbraw/zinc/37/83/38/205378338.db2.gz FGTMVFILZIAMAH-MDZLAQPJSA-N 1 0 267.373 0.805 10 0 CCAERO OCC(CO)[NH2+][C@H](c1ccccc1)[C@H]1C[C@@H](O)C1 ZINC000244674010 189909089 /nfs/dbraw/zinc/90/90/89/189909089.db2.gz HZSYVOYPNSTQLM-KWCYVHTRSA-N 1 0 251.326 0.441 10 0 CCAERO CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000637849748 374405780 /nfs/dbraw/zinc/40/57/80/374405780.db2.gz HUIKPSQYDVVTQM-YNEHKIRRSA-N 1 0 269.389 0.781 10 0 CCAERO CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H](C)[C@H]2CCCO2)C1 ZINC000637929957 374483118 /nfs/dbraw/zinc/48/31/18/374483118.db2.gz QUYPRDBKTOTQFY-XZUYRWCXSA-N 1 0 256.346 0.437 10 0 CCAERO COC[C@]1(C(=O)NCC2(C)COC2)CCCC[NH2+]1 ZINC000637991767 374535487 /nfs/dbraw/zinc/53/54/87/374535487.db2.gz DXVHYWGTTGVKAM-ZDUSSCGKSA-N 1 0 256.346 0.298 10 0 CCAERO CN(C[C@@H]1CCC[C@H]1O)C(=O)C1(C[NH3+])CCOCC1 ZINC000568513295 291600362 /nfs/dbraw/zinc/60/03/62/291600362.db2.gz VJFHNEGDSZAEMO-NWDGAFQWSA-N 1 0 270.373 0.361 10 0 CCAERO [NH3+]C[C@@]1(C(=O)N2CCN3CCCC[C@@H]3C2)CCCOC1 ZINC000638087329 374647429 /nfs/dbraw/zinc/64/74/29/374647429.db2.gz QZKNPARNLKQNBA-HIFRSBDPSA-N 1 0 281.400 0.439 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1cscc1Cl ZINC000638234504 374826876 /nfs/dbraw/zinc/82/68/76/374826876.db2.gz YITHJRARYBFODT-RCOVLWMOSA-N 1 0 260.746 0.712 10 0 CCAERO CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H](C)c2ncc(C)o2)C1 ZINC000638281590 374886701 /nfs/dbraw/zinc/88/67/01/374886701.db2.gz RYKMSPBXEVDAQD-KWBADKCTSA-N 1 0 267.329 0.927 10 0 CCAERO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NCC[C@@H]1CC=CCC1 ZINC000638597787 375179379 /nfs/dbraw/zinc/17/93/79/375179379.db2.gz AUOGZFIMWXXFLW-VXGBXAGGSA-N 1 0 288.413 0.611 10 0 CCAERO C[C@H]1CC(F)(F)CCN1C(=O)[C@H]1C[NH2+]CCOC1 ZINC000638630039 375234467 /nfs/dbraw/zinc/23/44/67/375234467.db2.gz LOAKHUMWVNKREE-UWVGGRQHSA-N 1 0 262.300 0.869 10 0 CCAERO CN(C(=O)C[C@H]1CCC[NH2+]C1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000638696395 375301271 /nfs/dbraw/zinc/30/12/71/375301271.db2.gz BRIYUQGXBKKJBG-MXWKQRLJSA-N 1 0 253.346 0.098 10 0 CCAERO CN(C(=O)[C@H]1CCC[C@H]([NH3+])C1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000638698008 375305572 /nfs/dbraw/zinc/30/55/72/375305572.db2.gz KXHGUOKRXYZSNV-XWLWVQCSSA-N 1 0 253.346 0.226 10 0 CCAERO CO[C@H]1C[C@@H](CNC(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000638804052 375377680 /nfs/dbraw/zinc/37/76/80/375377680.db2.gz AFSKZKWIFIVJOW-TXEJJXNPSA-N 1 0 269.389 0.211 10 0 CCAERO CCc1cc(C(=O)N2C[C@@H](OC)C[C@]2(C)C[NH3+])n(C)n1 ZINC000638863141 375414557 /nfs/dbraw/zinc/41/45/57/375414557.db2.gz KNHDIHZEJOROSP-SMDDNHRTSA-N 1 0 280.372 0.561 10 0 CCAERO C[C@H]1CN(C(=O)CCNC(=O)c2ccsc2)C[C@@H]1C[NH3+] ZINC000638885177 375425771 /nfs/dbraw/zinc/42/57/71/375425771.db2.gz HKYRTTNFFMVELW-JQWIXIFHSA-N 1 0 295.408 0.921 10 0 CCAERO C[C@H](NC(=O)C(C)(C)C)C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638891119 375429115 /nfs/dbraw/zinc/42/91/15/375429115.db2.gz SPZKEJULPOTBSB-VWYCJHECSA-N 1 0 269.389 0.590 10 0 CCAERO COC[C@]1(C(=O)N[C@@H]2C[C@@H](C)O[C@@H]2C)CCC[NH2+]1 ZINC000638944645 375478363 /nfs/dbraw/zinc/47/83/63/375478363.db2.gz WWCAYOVLBXEXJF-UZWSLXQKSA-N 1 0 256.346 0.437 10 0 CCAERO COC[C@]1(C(=O)N[C@@H]2C[C@@H](C)O[C@H]2C)CCC[NH2+]1 ZINC000638944648 375478943 /nfs/dbraw/zinc/47/89/43/375478943.db2.gz WWCAYOVLBXEXJF-XZUYRWCXSA-N 1 0 256.346 0.437 10 0 CCAERO CC(C)C[C@H](C[NH+](C)C)NC(=O)NCCC(N)=O ZINC000079146439 284597081 /nfs/dbraw/zinc/59/70/81/284597081.db2.gz DUMDFFCHGSNOCH-SNVBAGLBSA-N 1 0 258.366 0.137 10 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NSJYLFPEOKGITD-QJPTWQEYSA-N 1 0 255.362 0.683 10 0 CCAERO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C)CCO1 ZINC000247402605 285050091 /nfs/dbraw/zinc/05/00/91/285050091.db2.gz YREHBBPHNSEEEG-TUAOUCFPSA-N 1 0 257.378 0.210 10 0 CCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2nccnc2N)C1 ZINC000247438476 285051206 /nfs/dbraw/zinc/05/12/06/285051206.db2.gz RVDURZXFZJVGCR-VHSXEESVSA-N 1 0 263.345 0.517 10 0 CCAERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CN1CCCNC1=O ZINC000335338290 208223945 /nfs/dbraw/zinc/22/39/45/208223945.db2.gz GWNQJDRDWUSLQH-STQMWFEESA-N 1 0 294.399 0.487 10 0 CCAERO COCCOCCC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000190746861 285087468 /nfs/dbraw/zinc/08/74/68/285087468.db2.gz DOAGKPRFJVETCF-LBPRGKRZSA-N 1 0 270.373 0.783 10 0 CCAERO CO[C@H](C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)c1cnn(C)c1 ZINC000281127450 195113529 /nfs/dbraw/zinc/11/35/29/195113529.db2.gz COYHVOQTMNCBDM-BNOWGMLFSA-N 1 0 292.383 0.803 10 0 CCAERO C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]23)CCO1 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NDCOFIUBEHERQK-DZGCQCFKSA-N 1 0 278.352 0.876 10 0 CCAERO CCOC(=O)CCCNC(=O)C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401502264 389799099 /nfs/dbraw/zinc/79/90/99/389799099.db2.gz POGAYHCQGFEWEL-RYUDHWBXSA-N 1 0 286.372 0.149 10 0 CCAERO CCCCOC[C@H](O)C[N@@H+]1CCSC[C@@H]1CO ZINC000387802893 389768131 /nfs/dbraw/zinc/76/81/31/389768131.db2.gz AYITVDZSBCDLID-NWDGAFQWSA-N 1 0 263.403 0.574 10 0 CCAERO CC[N@@H+]1CC[C@@H](NC(=O)c2c(O)cccc2O)C1 ZINC000390009638 389772170 /nfs/dbraw/zinc/77/21/70/389772170.db2.gz SHTXFXWGIDYEHF-SECBINFHSA-N 1 0 250.298 0.922 10 0 CCAERO CC(C)CNC(=O)[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000392868896 389774926 /nfs/dbraw/zinc/77/49/26/389774926.db2.gz CBKKDXNYDYIYEP-OUAUKWLOSA-N 1 0 255.362 0.404 10 0 CCAERO Cc1oc2nc[nH]c(=O)c2c1C(=O)NCC[C@@H](C)[NH3+] ZINC000429029449 389734035 /nfs/dbraw/zinc/73/40/35/389734035.db2.gz OITZXZOTTCGEOD-ZCFIWIBFSA-N 1 0 264.285 0.704 10 0 CCAERO CC(C)CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)C[C@H](O)C1 ZINC000401914591 389805314 /nfs/dbraw/zinc/80/53/14/389805314.db2.gz RUQDSKGGVQQKJQ-QWRGUYRKSA-N 1 0 271.361 0.171 10 0 CCAERO CC[C@@]1(CO)CCCN(C(=O)[C@@H]2C[C@H](OC)C[N@@H+]2C)C1 ZINC000408048103 389822885 /nfs/dbraw/zinc/82/28/85/389822885.db2.gz VGJPPSPZWSDATK-KCQAQPDRSA-N 1 0 284.400 0.717 10 0 CCAERO C[C@@H]1C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC(=O)N1 ZINC000408166801 389831322 /nfs/dbraw/zinc/83/13/22/389831322.db2.gz UOJXWCMPPAEONH-XQHKEYJVSA-N 1 0 279.384 0.596 10 0 CCAERO CCNC(=O)NC(=O)CN1[C@@H](C)C[NH+](CC)C[C@@H]1C ZINC000408200101 389834315 /nfs/dbraw/zinc/83/43/15/389834315.db2.gz ZMHJSHWWTUJNMR-QWRGUYRKSA-N 1 0 270.377 0.247 10 0 CCAERO CCCNS(=O)(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000408233105 389836674 /nfs/dbraw/zinc/83/66/74/389836674.db2.gz RSXSJVGFARKVJJ-NWDGAFQWSA-N 1 0 275.418 0.789 10 0 CCAERO Cc1ccc(S(=O)(=O)N(C)C2CC[NH2+]CC2)nn1 ZINC000095070674 184931961 /nfs/dbraw/zinc/93/19/61/184931961.db2.gz WSESKYMTLIMSFH-UHFFFAOYSA-N 1 0 270.358 0.158 10 0 CCAERO CC(=O)N1CCC[C@H](C(=O)N2CC[C@H]([NH3+])[C@H]2C)C1 ZINC000644148063 390147077 /nfs/dbraw/zinc/14/70/77/390147077.db2.gz LNCFQKAPUKGOKZ-USWWRNFRSA-N 1 0 253.346 0.193 10 0 CCAERO C[C@@H]([NH3+])CCNC(=O)[C@@H]1CCCN1c1ncccn1 ZINC000647740300 390154564 /nfs/dbraw/zinc/15/45/64/390154564.db2.gz FKKIZOGFDRGWES-MNOVXSKESA-N 1 0 263.345 0.299 10 0 CCAERO OC[C@H](CC(F)F)[NH2+]C[C@@H](O)COCc1ccco1 ZINC000580192330 390228216 /nfs/dbraw/zinc/22/82/16/390228216.db2.gz JYHOGLYFAQKQKE-VHSXEESVSA-N 1 0 279.283 0.763 10 0 CCAERO O=C(NC[C@@H]1CCC[C@@H]1O)[C@H]1C[NH2+]CCC1(F)F ZINC000648045576 390264520 /nfs/dbraw/zinc/26/45/20/390264520.db2.gz HEECQHLPRVJNTE-AEJSXWLSSA-N 1 0 262.300 0.508 10 0 CCAERO C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC000648137707 390304164 /nfs/dbraw/zinc/30/41/64/390304164.db2.gz FDEHDBLHZSNZMX-JLLWLGSASA-N 1 0 265.357 0.336 10 0 CCAERO COCCC1(C(=O)N[C@H]2CO[C@H](C)C2)CC[NH2+]CC1 ZINC000648204756 390341139 /nfs/dbraw/zinc/34/11/39/390341139.db2.gz HPZJJAPBKNQJNO-VXGBXAGGSA-N 1 0 270.373 0.686 10 0 CCAERO COC[C@]1(C(=O)N[C@H](C)C(=O)NC(C)(C)C)CCC[NH2+]1 ZINC000643656173 390491641 /nfs/dbraw/zinc/49/16/41/390491641.db2.gz WVLZGGJKJOFHDM-YGRLFVJLSA-N 1 0 285.388 0.174 10 0 CCAERO CC[C@@H](O)CCNC(=O)C1(CCOC)CC[NH2+]CC1 ZINC000643672191 390496684 /nfs/dbraw/zinc/49/66/84/390496684.db2.gz HKWNKTLNNAMZOF-GFCCVEGCSA-N 1 0 272.389 0.670 10 0 CCAERO COC[C@@]1(C(=O)NC[C@H]2CCCS2)CCC[NH2+]1 ZINC000643705116 390506855 /nfs/dbraw/zinc/50/68/55/390506855.db2.gz JJEVKKOOOCEQMQ-ZYHUDNBSSA-N 1 0 258.387 0.767 10 0 CCAERO CC1(C)CN(C(=O)[C@@H]2C[NH2+]CCOC2)CCCO1 ZINC000643708902 390508675 /nfs/dbraw/zinc/50/86/75/390508675.db2.gz JUXSXINHHWYBNM-LLVKDONJSA-N 1 0 256.346 0.250 10 0 CCAERO CO[C@H](C)CN(C(=O)[C@H]1C[NH2+]CCOC1)C(C)C ZINC000643711462 390509882 /nfs/dbraw/zinc/50/98/82/390509882.db2.gz SKUVTDFMNGWVDS-NEPJUHHUSA-N 1 0 258.362 0.494 10 0 CCAERO CCOC[C@@H]1CCN(C(=O)[C@@]2(COC)CCC[NH2+]2)C1 ZINC000643725777 390518578 /nfs/dbraw/zinc/51/85/78/390518578.db2.gz AUNVKUDBWMHMLE-OCCSQVGLSA-N 1 0 270.373 0.640 10 0 CCAERO C[C@@H]1CN(C(=O)CNC(=O)Nc2ccccc2)C[C@@H]1[NH3+] ZINC000643600339 390465984 /nfs/dbraw/zinc/46/59/84/390465984.db2.gz IJBBDDDCIBMAFE-PWSUYJOCSA-N 1 0 276.340 0.614 10 0 CCAERO CC(=O)Nc1ccc(NC(=O)[C@@H]2C[NH2+]CCOC2)cc1 ZINC000643613931 390468479 /nfs/dbraw/zinc/46/84/79/390468479.db2.gz GSMMPGAJPYNVNM-LLVKDONJSA-N 1 0 277.324 0.820 10 0 CCAERO Cc1cccc(OCCNC(=O)[C@@H]2C[NH2+]CCOC2)c1 ZINC000643621698 390475573 /nfs/dbraw/zinc/47/55/73/390475573.db2.gz RSEBCYGEJFSQJK-CYBMUJFWSA-N 1 0 278.352 0.726 10 0 CCAERO O=C([C@@H]1C[NH2+]CCOC1)N(C[C@@H]1CCOC1)C1CC1 ZINC000643633447 390482648 /nfs/dbraw/zinc/48/26/48/390482648.db2.gz HWVVSKPKMZWVJY-NWDGAFQWSA-N 1 0 268.357 0.250 10 0 CCAERO COC[C@]1(C(=O)N[C@H](C)[C@@H]2CCCO2)CCC[NH2+]1 ZINC000643641620 390485542 /nfs/dbraw/zinc/48/55/42/390485542.db2.gz JPTZDNPHKGCUKA-MDZLAQPJSA-N 1 0 256.346 0.439 10 0 CCAERO CN(CCn1cccn1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000649333185 390588420 /nfs/dbraw/zinc/58/84/20/390588420.db2.gz CFJBDUZJPOPJDZ-NWDGAFQWSA-N 1 0 250.346 0.717 10 0 CCAERO Cc1cnc([C@@H](C)NC(=O)[C@@H]2C[NH2+]CCOC2)o1 ZINC000643779178 390542840 /nfs/dbraw/zinc/54/28/40/390542840.db2.gz SUSWKFGCGBWKJT-NXEZZACHSA-N 1 0 253.302 0.396 10 0 CCAERO COC[C@@]1(C(=O)NCc2cscn2)CCC[NH2+]1 ZINC000649312408 390571804 /nfs/dbraw/zinc/57/18/04/390571804.db2.gz NORDSZHSFBANQK-LLVKDONJSA-N 1 0 255.343 0.528 10 0 CCAERO Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)C[NH3+])cs1 ZINC000566974177 390662520 /nfs/dbraw/zinc/66/25/20/390662520.db2.gz WZNXETXJAKYVBR-ONGXEEELSA-N 1 0 286.376 0.439 10 0 CCAERO Cc1nn(C)c(=O)c(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])c1C ZINC000644064946 390641534 /nfs/dbraw/zinc/64/15/34/390641534.db2.gz GHPBNDGTQWURHA-WDEREUQCSA-N 1 0 278.356 0.254 10 0 CCAERO Cc1nn(C)c(=O)c(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])c1C ZINC000644064944 390641716 /nfs/dbraw/zinc/64/17/16/390641716.db2.gz GHPBNDGTQWURHA-MNOVXSKESA-N 1 0 278.356 0.254 10 0 CCAERO CN1CCC[C@@H]([NH2+]C[C@H](O)COCc2ccco2)C1=O ZINC000572632304 390794016 /nfs/dbraw/zinc/79/40/16/390794016.db2.gz XRFOIOOXLPDBBQ-WCQYABFASA-N 1 0 282.340 0.368 10 0 CCAERO O=C(NC[C@H]1CC[NH2+]C1)c1cnc2ccccc2c1O ZINC000646967314 390750584 /nfs/dbraw/zinc/75/05/84/390750584.db2.gz HJXGLAAFFNBFJR-JTQLQIEISA-N 1 0 271.320 0.867 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccn(C)c(=O)c1 ZINC000247519377 131105624 /nfs/dbraw/zinc/10/56/24/131105624.db2.gz WPKBHBZTEBNEBC-AAEUAGOBSA-N 1 0 275.352 0.694 10 0 CCAERO CCc1cc(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)n(C)n1 ZINC000261674065 131161230 /nfs/dbraw/zinc/16/12/30/131161230.db2.gz GMXPCEKLKFVMBC-ZJUUUORDSA-N 1 0 252.318 0.427 10 0 CCAERO CCOCCN(C)C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262708514 131253823 /nfs/dbraw/zinc/25/38/23/131253823.db2.gz DVOQGZACKCXQBG-LBPRGKRZSA-N 1 0 280.372 0.916 10 0 CCAERO CCC[C@@](C)([NH3+])C(=O)N[C@@H](C)C(=O)NCc1ccco1 ZINC000262710867 131254264 /nfs/dbraw/zinc/25/42/64/131254264.db2.gz QLAGOLSQBNDDGF-IINYFYTJSA-N 1 0 281.356 0.918 10 0 CCAERO CCC[C@@H]([NH3+])C(=O)NCCCNC(=O)c1cccc(O)c1 ZINC000262719858 131255900 /nfs/dbraw/zinc/25/59/00/131255900.db2.gz YNSGJNKSIQHPDU-CYBMUJFWSA-N 1 0 293.367 0.756 10 0 CCAERO CN1C[C@H](C[NH2+]Cc2ccc(C(N)=O)cc2)CC1=O ZINC000657698278 413052718 /nfs/dbraw/zinc/05/27/18/413052718.db2.gz UHOJJNDJWCUJHZ-NSHDSACASA-N 1 0 261.325 0.353 10 0 CCAERO Nc1nc(N2CCC3(CC2)[C@H](O)C[C@@H]3O)c2c([nH+]1)CCC2 ZINC000091679708 135073161 /nfs/dbraw/zinc/07/31/61/135073161.db2.gz QURNWUOHNILYJQ-TXEJJXNPSA-N 1 0 290.367 0.260 10 0 CCAERO CCN(CC)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000658408471 413139251 /nfs/dbraw/zinc/13/92/51/413139251.db2.gz HZBUBILJCJKKFA-UHFFFAOYSA-N 1 0 253.306 0.192 10 0 CCAERO CNS(=O)(=O)c1ccc(NC(=O)C[C@@H](C)[NH3+])cc1 ZINC000037608485 397382847 /nfs/dbraw/zinc/38/28/47/397382847.db2.gz YVLLKBNEXKMLNB-MRVPVSSYSA-N 1 0 271.342 0.271 10 0 CCAERO CCOc1ccccc1CCC(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262063873 143934766 /nfs/dbraw/zinc/93/47/66/143934766.db2.gz BBTTWPYGMKDCBH-UONOGXRCSA-N 1 0 292.379 0.714 10 0 CCAERO O=C(Cc1cccc(F)c1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262105366 143938135 /nfs/dbraw/zinc/93/81/35/143938135.db2.gz FAXJCBAIRDNGNI-ZYHUDNBSSA-N 1 0 252.289 0.065 10 0 CCAERO CCn1nc(CNC[C@@H]2C[NH2+]C[C@@H]2O)c2ccccc21 ZINC000262148703 143942365 /nfs/dbraw/zinc/94/23/65/143942365.db2.gz QSQUWOFXMQLLBN-ABAIWWIYSA-N 1 0 274.368 0.726 10 0 CCAERO C[C@H]1[N@H+](Cc2ccccc2)CC[C@@]12NCC(=O)NC2=O ZINC000307536594 397447929 /nfs/dbraw/zinc/44/79/29/397447929.db2.gz LHMIQYXUTNCDCX-IAQYHMDHSA-N 1 0 273.336 0.266 10 0 CCAERO [NH3+]C1CCC(C(=O)N2CCN(C3CC3)CC2)CC1 ZINC000037827041 397388628 /nfs/dbraw/zinc/38/86/28/397388628.db2.gz KJRZAENYODBPHW-UHFFFAOYSA-N 1 0 251.374 0.811 10 0 CCAERO C[C@@H]1CC[C@H](C(=O)NCC2(O)CC[NH+](C)CC2)O1 ZINC000357015294 144051222 /nfs/dbraw/zinc/05/12/22/144051222.db2.gz QDCDGNQEEAKPGP-GHMZBOCLSA-N 1 0 256.346 0.127 10 0 CCAERO CNC(=O)[C@@H]1CCC[N@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000380960945 397484176 /nfs/dbraw/zinc/48/41/76/397484176.db2.gz SQKHLLMZMIPZAJ-YNEHKIRRSA-N 1 0 254.374 0.996 10 0 CCAERO CC[C@@H]1C[C@H]([NH2+][C@H]2CCCN(CCO)C2)CCO1 ZINC000384427472 397495446 /nfs/dbraw/zinc/49/54/46/397495446.db2.gz DMUYLNGXYWGFLG-HZSPNIEDSA-N 1 0 256.390 0.990 10 0 CCAERO OCCN1CCC[C@H]([NH2+]Cc2cnn(CC(F)F)c2)C1 ZINC000384375475 397495505 /nfs/dbraw/zinc/49/55/05/397495505.db2.gz MNQYDSBKIMBWKI-LBPRGKRZSA-N 1 0 288.342 0.695 10 0 CCAERO [NH3+]CC1(CCNc2nnnn2-c2ccccc2)CC1 ZINC000395840876 397520234 /nfs/dbraw/zinc/52/02/34/397520234.db2.gz FMWWMMSKBRGBLW-UHFFFAOYSA-N 1 0 258.329 0.625 10 0 CCAERO c1cc2n(n1)C[C@H](C[N@@H+]1CCO[C@@H]([C@@H]3CCCO3)C1)CN2 ZINC000684195452 545626338 /nfs/dbraw/zinc/62/63/38/545626338.db2.gz AITGLWHMEIHVSN-MELADBBJSA-N 1 0 292.383 0.805 10 0 CCAERO C[NH+](C)[C@H]1CN(C(=O)CCc2ccsc2)C[C@@H]1O ZINC000552439159 286166598 /nfs/dbraw/zinc/16/65/98/286166598.db2.gz BHNZSTLITBKEBP-RYUDHWBXSA-N 1 0 268.382 0.814 10 0 CCAERO CCO[C@@H]1C[C@@H]([NH2+]CC[C@@H](O)COC)C12CCOCC2 ZINC000248987011 286282456 /nfs/dbraw/zinc/28/24/56/286282456.db2.gz KFQOHIKRVFMQRK-MGPQQGTHSA-N 1 0 287.400 0.948 10 0 CCAERO COCCCS(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113305406 292369768 /nfs/dbraw/zinc/36/97/68/292369768.db2.gz NKUNJMGXEWRGGP-NWDGAFQWSA-N 1 0 276.402 0.521 10 0 CCAERO COC[C@]1(C(=O)N2C[C@@H](C)OC[C@@H]2C)CCC[NH2+]1 ZINC000659261856 413362340 /nfs/dbraw/zinc/36/23/40/413362340.db2.gz HTOFSRYASNQPMN-LOWVWBTDSA-N 1 0 256.346 0.391 10 0 CCAERO COCCN(C(=O)[C@@H]1CCCN1C1CC[NH2+]CC1)C1CC1 ZINC000038043323 292397628 /nfs/dbraw/zinc/39/76/28/292397628.db2.gz HPZTTZWLIYHEJW-HNNXBMFYSA-N 1 0 295.427 0.840 10 0 CCAERO CC[C@@H]1CN(C(=O)[C@@]2(COC)CCC[NH2+]2)[C@H](C)CO1 ZINC000659329249 413420941 /nfs/dbraw/zinc/42/09/41/413420941.db2.gz VDECBESZUGXYHO-BZPMIXESSA-N 1 0 270.373 0.781 10 0 CCAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCC(=O)N(C)CC1 ZINC000659372388 413452582 /nfs/dbraw/zinc/45/25/82/413452582.db2.gz AYAFIPFUKQTGGT-GHMZBOCLSA-N 1 0 253.346 0.065 10 0 CCAERO C[C@@H](O)C[N@@H+]1CCN(CC(=O)N2CCC(C)CC2)C[C@H]1C ZINC000105821995 287094197 /nfs/dbraw/zinc/09/41/97/287094197.db2.gz HPBKJDMEEWOOBM-HUUCEWRRSA-N 1 0 297.443 0.632 10 0 CCAERO Cc1c(Br)cnn1CC(=O)NCC[NH3+] ZINC000002537887 169805396 /nfs/dbraw/zinc/80/53/96/169805396.db2.gz SHGQHLMLJPXVRA-UHFFFAOYSA-N 1 0 261.123 0.029 10 0 CCAERO CC(C)[NH2+]C[C@H](O)COc1ccccc1C(N)=O ZINC000003608432 169901468 /nfs/dbraw/zinc/90/14/68/169901468.db2.gz WMULHDZBIOUOPD-JTQLQIEISA-N 1 0 252.314 0.523 10 0 CCAERO CC(C)[NH2+]C[C@@H](O)COc1cccc2c1OC[C@H](O)C2 ZINC000005760546 170138068 /nfs/dbraw/zinc/13/80/68/170138068.db2.gz GEKRLAMHPJMGFS-CHWSQXEVSA-N 1 0 281.352 0.720 10 0 CCAERO [NH3+][C@H](Cc1ccccc1)C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000050227272 411677587 /nfs/dbraw/zinc/67/75/87/411677587.db2.gz FVHASGBLQJTQQI-MGPQQGTHSA-N 1 0 262.353 0.976 10 0 CCAERO C[C@H](C[NH3+])C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000054338579 411682784 /nfs/dbraw/zinc/68/27/84/411682784.db2.gz ZUFSBVAJPYNSLO-BDAKNGLRSA-N 1 0 285.369 0.106 10 0 CCAERO Cc1csc(CCNC(=O)[C@@H]2C[NH2+]C[C@H]2C)n1 ZINC000111272873 411702406 /nfs/dbraw/zinc/70/24/06/411702406.db2.gz RYNXXAZMTNQSHI-PSASIEDQSA-N 1 0 253.371 0.966 10 0 CCAERO NS(=O)(=O)c1ccc(NC(=O)CC[C@H]2CCC[NH2+]2)cc1 ZINC000313418562 411755231 /nfs/dbraw/zinc/75/52/31/411755231.db2.gz WUTYPMMRTBEBIC-SNVBAGLBSA-N 1 0 297.380 0.805 10 0 CCAERO Nc1cccnc1C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000132507117 411725036 /nfs/dbraw/zinc/72/50/36/411725036.db2.gz TXPQASARSYDEJQ-LLVKDONJSA-N 1 0 260.341 0.974 10 0 CCAERO C[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)C2)[C@H]1CC[NH3+] ZINC000404283163 411795089 /nfs/dbraw/zinc/79/50/89/411795089.db2.gz PLFOMDOABBNFLG-VWYCJHECSA-N 1 0 253.346 0.098 10 0 CCAERO Nc1n[nH]cc1[C@H]1CNc2ccccc2N1CC[NH3+] ZINC000616583880 411839943 /nfs/dbraw/zinc/83/99/43/411839943.db2.gz CXRJPFDKVYFVRN-GFCCVEGCSA-N 1 0 258.329 0.924 10 0 CCAERO O[C@@H](COc1ccc2c(c1)OCO2)CN1CC[NH2+]CC1 ZINC000019668797 170834857 /nfs/dbraw/zinc/83/48/57/170834857.db2.gz PQPXKYUIRKZDES-LLVKDONJSA-N 1 0 280.324 0.060 10 0 CCAERO CCC(CC)C(=O)N[C@@H](CC)C(=O)N1CC[NH2+]CC1 ZINC000020183980 171047249 /nfs/dbraw/zinc/04/72/49/171047249.db2.gz QGQRLZIAKXQQBD-LBPRGKRZSA-N 1 0 269.389 0.749 10 0 CCAERO COc1ccccc1[C@H](C[NH3+])N1CCN(CCO)CC1 ZINC000020225747 171090659 /nfs/dbraw/zinc/09/06/59/171090659.db2.gz AMUKRKHUINKLKG-AWEZNQCLSA-N 1 0 279.384 0.305 10 0 CCAERO Cc1ccc(NS(=O)(=O)N2CC[NH2+]CC2)c(C)c1 ZINC000020247286 171099958 /nfs/dbraw/zinc/09/99/58/171099958.db2.gz YKHKHAIZJDWLOE-UHFFFAOYSA-N 1 0 269.370 0.865 10 0 CCAERO CN(CC[C@H]1CCCC[NH2+]1)S(=O)(=O)N1CCCC1 ZINC000020255739 171110361 /nfs/dbraw/zinc/11/03/61/171110361.db2.gz MQAXKWMKFJTDAJ-GFCCVEGCSA-N 1 0 275.418 0.791 10 0 CCAERO C[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)C(=O)NC(N)=O ZINC000020309464 171143490 /nfs/dbraw/zinc/14/34/90/171143490.db2.gz NKYBHLVNEQINHA-SECBINFHSA-N 1 0 293.323 0.173 10 0 CCAERO COc1ccccc1OC[C@@H](C[NH3+])N1CCOCC1 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O=C([C@@H]1C[NH2+]C[C@H]1C(F)(F)F)N1CC[C@@H]2COC[C@H]2C1 ZINC000662709708 414744702 /nfs/dbraw/zinc/74/47/02/414744702.db2.gz DQTBEVDIOSPSLG-GWOFURMSSA-N 1 0 292.301 0.879 10 0 CCAERO COC[C@@H](CCNC(=O)C1CCC([NH3+])CC1)OC ZINC000662848181 414839985 /nfs/dbraw/zinc/83/99/85/414839985.db2.gz VRVXIEYUMIGKIC-HTAVTVPLSA-N 1 0 258.362 0.672 10 0 CCAERO O=C([C@H]1CC[NH2+]C1)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000662949883 414912568 /nfs/dbraw/zinc/91/25/68/414912568.db2.gz HZOIRYKBMUZBJQ-IUCAKERBSA-N 1 0 266.263 0.776 10 0 CCAERO O=S1CCC([NH2+]CCc2nnc3ccccn32)CC1 ZINC000042335990 174689049 /nfs/dbraw/zinc/68/90/49/174689049.db2.gz ZEYGZLWNTOOBNZ-UHFFFAOYSA-N 1 0 278.381 0.773 10 0 CCAERO CNC(=O)[C@@H]1CCCN1C(=O)C[C@@H]1CCCC[NH2+]1 ZINC000042396830 174709028 /nfs/dbraw/zinc/70/90/28/174709028.db2.gz MTWHZVDHNFOEIY-QWRGUYRKSA-N 1 0 253.346 0.256 10 0 CCAERO CCN(CC(F)(F)F)S(=O)(=O)N(C)CCC[NH3+] ZINC000042768419 174870170 /nfs/dbraw/zinc/87/01/70/174870170.db2.gz AYUGWOBGTQPVCO-UHFFFAOYSA-N 1 0 277.312 0.396 10 0 CCAERO CCC[NH2+]C1CCN(S(=O)(=O)CCOC)CC1 ZINC000042806938 174883113 /nfs/dbraw/zinc/88/31/13/174883113.db2.gz HCMYYQMZAYXODF-UHFFFAOYSA-N 1 0 264.391 0.427 10 0 CCAERO Cn1ncc(NCC23CC(C2)C[NH2+]3)c(Br)c1=O ZINC000663275007 415033928 /nfs/dbraw/zinc/03/39/28/415033928.db2.gz YPTLPWANOPMZJV-UHFFFAOYSA-N 1 0 299.172 0.707 10 0 CCAERO CCOC(=O)[C@@H](CCN(C)C[C@@H]1CC[N@H+](C)C1)NC ZINC000071190964 176067864 /nfs/dbraw/zinc/06/78/64/176067864.db2.gz VKSDMAIJIHJBBQ-CHWSQXEVSA-N 1 0 271.405 0.411 10 0 CCAERO COCCN(CCC[NH3+])c1ccc(S(N)(=O)=O)cc1 ZINC000071223413 176088477 /nfs/dbraw/zinc/08/84/77/176088477.db2.gz KKTVZYWZGQPBAM-UHFFFAOYSA-N 1 0 287.385 0.136 10 0 CCAERO COCCCS(=O)(=O)Nc1ccc(C[NH3+])cn1 ZINC000071233626 176092695 /nfs/dbraw/zinc/09/26/95/176092695.db2.gz KVKIYUZYOHRLCJ-UHFFFAOYSA-N 1 0 259.331 0.319 10 0 CCAERO Cn1ccnc1CNC(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000071275582 176106857 /nfs/dbraw/zinc/10/68/57/176106857.db2.gz GCSNNUZHKYPWHV-UHFFFAOYSA-N 1 0 280.719 0.684 10 0 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/nfs/dbraw/zinc/83/03/58/544830358.db2.gz FEIRCMWSWYQRSI-OYNCUSHFSA-N 1 0 266.263 0.822 10 0 CCAERO CO[C@H]1C[NH2+][C@@H](C(=O)N2CCO[C@@H]3CCCC[C@H]32)C1 ZINC000227044036 544830913 /nfs/dbraw/zinc/83/09/13/544830913.db2.gz SZGIKBRAEHDHLO-FDYHWXHSSA-N 1 0 268.357 0.533 10 0 CCAERO CNC(=O)C(C)(C)CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000226692002 544831320 /nfs/dbraw/zinc/83/13/20/544831320.db2.gz ONBMVYDPEMRLMS-ZJUUUORDSA-N 1 0 255.362 0.250 10 0 CCAERO CCN1CCO[C@H](CNc2ncnc(N)c2Cl)C1 ZINC000233478822 544866247 /nfs/dbraw/zinc/86/62/47/544866247.db2.gz KMJOKTRNCUCPIK-MRVPVSSYSA-N 1 0 271.752 0.845 10 0 CCAERO Cc1noc2ncnc(N3CC[N@@H+](C[C@@H](C)O)[C@@H](C)C3)c12 ZINC000248795399 544915671 /nfs/dbraw/zinc/91/56/71/544915671.db2.gz YOUUAXZTFLIHDD-VHSXEESVSA-N 1 0 291.355 0.818 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000251309912 544926499 /nfs/dbraw/zinc/92/64/99/544926499.db2.gz JWDLHYGUDSXZLM-QJPTWQEYSA-N 1 0 267.373 0.487 10 0 CCAERO 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FC(F)(F)COCC[NH2+]CCCN1CCOCC1 ZINC000049310935 527670386 /nfs/dbraw/zinc/67/03/86/527670386.db2.gz OCQGFILACUHKJD-UHFFFAOYSA-N 1 0 270.295 0.877 10 0 CCAERO Cc1[nH]n(C)c2nnc(NC(=O)[C@@H]3CCC[C@@H]3[NH3+])c1-2 ZINC000237839874 302787189 /nfs/dbraw/zinc/78/71/89/302787189.db2.gz UGMUSRSFBWMFAE-SFYZADRCSA-N 1 0 262.317 0.671 10 0 CCAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@@H]1CSC(=O)N1 ZINC000261910676 303364122 /nfs/dbraw/zinc/36/41/22/303364122.db2.gz TUZDWHXPIMOFQA-DYKAEWMKSA-N 1 0 283.397 0.834 10 0 CCAERO C[C@@H](NC(=O)[C@H]1C[C@H](F)C[NH2+]1)[C@H](O)Cc1ccccc1 ZINC000188969305 327762517 /nfs/dbraw/zinc/76/25/17/327762517.db2.gz HQKJWOPZEJZFKB-YXCITZCRSA-N 1 0 280.343 0.795 10 0 CCAERO C[C@@H]1CN2CCCC[C@H]2C[N@@H+]1CC1(CO)COC1 ZINC000310557614 328079792 /nfs/dbraw/zinc/07/97/92/328079792.db2.gz SJNMZAJELYVVPK-OLZOCXBDSA-N 1 0 254.374 0.554 10 0 CCAERO CC(C)n1nnnc1CN1CCC([C@@H](C)[NH3+])CC1 ZINC000582487602 329097107 /nfs/dbraw/zinc/09/71/07/329097107.db2.gz IUIPAQSALDCYFB-SNVBAGLBSA-N 1 0 252.366 0.813 10 0 CCAERO O=C([C@@H]1CC(F)(F)CN1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000582603333 329114408 /nfs/dbraw/zinc/11/44/08/329114408.db2.gz VFUDASBTBMCCPL-MNOVXSKESA-N 1 0 273.327 0.680 10 0 CCAERO C[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)CC(=O)[C@@H]2C1 ZINC000536959425 330383923 /nfs/dbraw/zinc/38/39/23/330383923.db2.gz NHZIHDFYBDWPPC-VHSXEESVSA-N 1 0 254.330 0.984 10 0 CCAERO O=C([C@@H]1COC[C@@H]2C[N@H+](CC3CC3)C[C@@H]21)N1CCCO1 ZINC000253615487 333186020 /nfs/dbraw/zinc/18/60/20/333186020.db2.gz OAZPUWNTLSHJLH-MELADBBJSA-N 1 0 280.368 0.755 10 0 CCAERO CS[C@H](C)C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000174337019 335153027 /nfs/dbraw/zinc/15/30/27/335153027.db2.gz OGUDSJKDACIOFA-GMTAPVOTSA-N 1 0 260.403 0.651 10 0 CCAERO C(CN1CC[C@H]2OCC[NH2+][C@H]2C1)C[NH+]1CCCCC1 ZINC000577759390 335398258 /nfs/dbraw/zinc/39/82/58/335398258.db2.gz DPEHQYFYFFHDAV-LSDHHAIUSA-N 1 0 267.417 0.925 10 0 CCAERO O=C(NC1CCN(CC(F)(F)F)CC1)[C@@H]1CC[NH2+]C1 ZINC000178687265 335445210 /nfs/dbraw/zinc/44/52/10/335445210.db2.gz LVXHJIWNRFFYTA-SECBINFHSA-N 1 0 279.306 0.739 10 0 CCAERO C[C@@H](C[NH3+])N(C)c1cnn(C)c(=O)c1Br ZINC000382969469 336100259 /nfs/dbraw/zinc/10/02/59/336100259.db2.gz GSHPOHSXCIDXNH-LURJTMIESA-N 1 0 275.150 0.326 10 0 CCAERO C[C@H]1[C@H](O)CCC[N@@H+]1CC(=O)NC(=O)NC(C)(C)C ZINC000384982898 336135643 /nfs/dbraw/zinc/13/56/43/336135643.db2.gz ZHAMULHHBRIWEZ-VHSXEESVSA-N 1 0 271.361 0.456 10 0 CCAERO CC[NH2+]Cc1cccc(NC(=O)[C@H](C)NC(N)=O)c1 ZINC000262515496 535482638 /nfs/dbraw/zinc/48/26/38/535482638.db2.gz RMTSQWLDRHJAIU-VIFPVBQESA-N 1 0 264.329 0.791 10 0 CCAERO CC(C)[NH2+][C@H](CCN1CCC[N@H+](C)CC1)C(=O)[O-] ZINC000062444263 519738073 /nfs/dbraw/zinc/73/80/73/519738073.db2.gz AQDAWVJVEAYSQG-GFCCVEGCSA-N 1 0 257.378 0.465 10 0 CCAERO CC[NH2+]CCC(=O)N(CC)[C@H]1CCS(=O)(=O)C1 ZINC000061294635 519915506 /nfs/dbraw/zinc/91/55/06/519915506.db2.gz PWXYLKYPDINJQY-JTQLQIEISA-N 1 0 262.375 0.022 10 0 CCAERO CC[NH2+]CCS(=O)(=O)NC[C@H]1Cc2ccccc2O1 ZINC000051087582 519925357 /nfs/dbraw/zinc/92/53/57/519925357.db2.gz ILBUHZMRUUUGMR-GFCCVEGCSA-N 1 0 284.381 0.519 10 0 CCAERO COCC[C@@H]([NH3+])C(=O)Nc1ccc(NC(N)=O)cc1 ZINC000052792594 521827657 /nfs/dbraw/zinc/82/76/57/521827657.db2.gz LUOVSXHOEGFDDY-SNVBAGLBSA-N 1 0 266.301 0.480 10 0 CCAERO C[C@H](NC(=O)c1ccccc1)C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000423966643 533758993 /nfs/dbraw/zinc/75/89/93/533758993.db2.gz WWLKBUFZBIFVAL-GMXVVIOVSA-N 1 0 275.352 0.611 10 0 CCAERO COc1ccccc1CC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424044761 534009670 /nfs/dbraw/zinc/00/96/70/534009670.db2.gz KPEIVJVXGMSPJL-GXTWGEPZSA-N 1 0 276.336 0.437 10 0 CCAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)C(=O)NC(N)=O ZINC000049555827 519343040 /nfs/dbraw/zinc/34/30/40/519343040.db2.gz MHBLPUHOUSOQHM-NXEZZACHSA-N 1 0 258.366 0.136 10 0 CCAERO CC(C)CN(CC(N)=O)C(=O)[C@H]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000055138548 519714583 /nfs/dbraw/zinc/71/45/83/519714583.db2.gz UNEKCCIUKBGIIX-WOPDTQHZSA-N 1 0 269.389 0.720 10 0 CCAERO CC(C)[C@@H](C[NH+](C)C)NS(=O)(=O)c1ccnc(N)c1 ZINC000050672956 519793797 /nfs/dbraw/zinc/79/37/97/519793797.db2.gz VONZDNYTNQULGK-LLVKDONJSA-N 1 0 286.401 0.528 10 0 CCAERO CCCNC(=O)[C@H](C)[NH2+]CC(=O)N(CC)C1CC1 ZINC000049302741 519892507 /nfs/dbraw/zinc/89/25/07/519892507.db2.gz PJBZLJYLINRLRW-JTQLQIEISA-N 1 0 255.362 0.502 10 0 CCAERO CC[NH2+][C@@H](C)CC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000061271639 520064894 /nfs/dbraw/zinc/06/48/94/520064894.db2.gz HWLVYOLTFCYJAP-RYUDHWBXSA-N 1 0 269.389 0.892 10 0 CCAERO CCN(CC)C(=O)C[NH2+][C@H](C)CN1CCOCC1 ZINC000049505267 520487721 /nfs/dbraw/zinc/48/77/21/520487721.db2.gz YBILMZZWGKTAKD-GFCCVEGCSA-N 1 0 257.378 0.165 10 0 CCAERO CCOC(=O)[C@@H](CC[N@@H+]1CCCO[C@H](C)C1)NC ZINC000062533119 521057614 /nfs/dbraw/zinc/05/76/14/521057614.db2.gz HLOQZYTUOJEFHB-VXGBXAGGSA-N 1 0 258.362 0.638 10 0 CCAERO CCCN(CC(=O)NC)C(=O)[C@@H]1C[C@@H]([NH3+])CC[C@@H]1C ZINC000055135747 521542575 /nfs/dbraw/zinc/54/25/75/521542575.db2.gz ROVFSBDDGBPSJA-SDDRHHMPSA-N 1 0 269.389 0.735 10 0 CCAERO CCCN(CC(=O)NC)C(=O)[C@H]1C[C@H]([NH3+])CC[C@@H]1C ZINC000055135745 521544290 /nfs/dbraw/zinc/54/42/90/521544290.db2.gz ROVFSBDDGBPSJA-TUAOUCFPSA-N 1 0 269.389 0.735 10 0 CCAERO CCCn1c(SCCC[C@@](C)([NH3+])C(N)=O)n[nH]c1=O ZINC000061608016 521634333 /nfs/dbraw/zinc/63/43/33/521634333.db2.gz YBUAZPBONGAWPV-LLVKDONJSA-N 1 0 287.389 0.056 10 0 CCAERO CCCn1ccnc(N2CCCC[C@H]2C[NH3+])c1=O ZINC000061768070 521659502 /nfs/dbraw/zinc/65/95/02/521659502.db2.gz AJBXGRZFSCXRBY-NSHDSACASA-N 1 0 250.346 0.971 10 0 CCAERO C[NH+](C)C[C@H]1CCCN1CC(=O)N1CCC(=O)CC1 ZINC000061645567 521866877 /nfs/dbraw/zinc/86/68/77/521866877.db2.gz AXJFEHWXPJTREL-GFCCVEGCSA-N 1 0 267.373 0.204 10 0 CCAERO CN1CCO[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000156029823 521915476 /nfs/dbraw/zinc/91/54/76/521915476.db2.gz OWLKMYGHHXLRFA-HNNXBMFYSA-N 1 0 291.395 0.809 10 0 CCAERO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H]1CCCNC1=O ZINC000054602263 521953779 /nfs/dbraw/zinc/95/37/79/521953779.db2.gz MLTPOQYDHGDUCG-PSEXLTFBSA-N 1 0 251.374 0.870 10 0 CCAERO CNS(=O)(=O)c1ccc(O[C@H]2CCC[NH2+]C2)cc1 ZINC000051872719 522294123 /nfs/dbraw/zinc/29/41/23/522294123.db2.gz UQCWRBUJSJKXAT-NSHDSACASA-N 1 0 270.354 0.726 10 0 CCAERO CN[C@@H](CC[N@H+](CCOC)[C@H](C)C1CC1)C(=O)OC ZINC000062463446 522343224 /nfs/dbraw/zinc/34/32/24/522343224.db2.gz XTNUNGKTMCUTQS-YPMHNXCESA-N 1 0 272.389 0.884 10 0 CCAERO COC[C@H](C)NC(=O)Cn1nc(C)c(C[NH3+])c1C ZINC000049291662 522604295 /nfs/dbraw/zinc/60/42/95/522604295.db2.gz SCOCSBAKKMMHCA-QMMMGPOBSA-N 1 0 254.334 0.110 10 0 CCAERO COC(=O)CS(=O)(=O)N1CCC[C@@H](C[NH2+]C(C)C)C1 ZINC000063138578 523235122 /nfs/dbraw/zinc/23/51/22/523235122.db2.gz HOYWHUGZBHETKG-NSHDSACASA-N 1 0 292.401 0.199 10 0 CCAERO CC[C@H]1CN(S(=O)(=O)CC[NH2+]C(C)C)CCO1 ZINC000049643619 523298100 /nfs/dbraw/zinc/29/81/00/523298100.db2.gz SRCFUAXWTDFVMB-NSHDSACASA-N 1 0 264.391 0.425 10 0 CCAERO COC(=O)C[C@H]1CCCN1C(=O)C1CC[NH2+]CC1 ZINC000182659270 523345204 /nfs/dbraw/zinc/34/52/04/523345204.db2.gz XMOWSVZYTDVNMZ-LLVKDONJSA-N 1 0 254.330 0.540 10 0 CCAERO CC[C@@H]1COCCN1CCn1cc(C[NH2+]C)nn1 ZINC000052481519 523498033 /nfs/dbraw/zinc/49/80/33/523498033.db2.gz OOXGPBNSWJASLZ-GFCCVEGCSA-N 1 0 253.350 0.108 10 0 CCAERO CN(c1ccccn1)S(=O)(=O)C[C@H]1CCC[NH2+]1 ZINC000049641403 523656111 /nfs/dbraw/zinc/65/61/11/523656111.db2.gz YLYRHHIYZQYORF-SNVBAGLBSA-N 1 0 255.343 0.600 10 0 CCAERO C[N@@H+]1CC[C@@H](CNC(=O)Cc2csc(N)n2)C1 ZINC000055272227 523959044 /nfs/dbraw/zinc/95/90/44/523959044.db2.gz HMCSPVXENISDAY-QMMMGPOBSA-N 1 0 254.359 0.336 10 0 CCAERO C[NH+](C)C1CCN(S(=O)(=O)c2ccc(N)nc2)CC1 ZINC000050657458 524041186 /nfs/dbraw/zinc/04/11/86/524041186.db2.gz ZJRFGWOHRUQABA-UHFFFAOYSA-N 1 0 284.385 0.379 10 0 CCAERO CNC(=O)NC(=O)[C@H](C)[NH2+]CCc1ccsc1 ZINC000049181243 524078012 /nfs/dbraw/zinc/07/80/12/524078012.db2.gz MOCTUVXENRVIKH-QMMMGPOBSA-N 1 0 255.343 0.724 10 0 CCAERO C[C@@H]1CCC[C@H](C(=O)NC[C@@H]2CCS(=O)(=O)C2)[NH2+]1 ZINC000050603343 524346496 /nfs/dbraw/zinc/34/64/96/524346496.db2.gz MBHRXGCIOVCEDE-OUAUKWLOSA-N 1 0 274.386 0.068 10 0 CCAERO C[C@H](CN1CCOCC1)[NH2+]CCOCC(F)(F)F ZINC000049504497 524357930 /nfs/dbraw/zinc/35/79/30/524357930.db2.gz RVCVPWWCKJAXDD-SNVBAGLBSA-N 1 0 270.295 0.876 10 0 CCAERO COc1ccccc1CCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000150723402 524418956 /nfs/dbraw/zinc/41/89/56/524418956.db2.gz DOEUVAVIUONABM-NEPJUHHUSA-N 1 0 264.325 0.077 10 0 CCAERO COC(=O)C(=O)N1CC[C@H](c2ccccc2)[C@@H]([NH3+])C1 ZINC000616570060 545103092 /nfs/dbraw/zinc/10/30/92/545103092.db2.gz LQTKMOJAGQMYER-NEPJUHHUSA-N 1 0 262.309 0.503 10 0 CCAERO COc1ccc(NC(=O)Cn2ccnc2C[NH3+])cc1 ZINC000051004149 524531082 /nfs/dbraw/zinc/53/10/82/524531082.db2.gz GKWYIXJGESIVTR-UHFFFAOYSA-N 1 0 260.297 0.989 10 0 CCAERO Cc1cccc(S(=O)(=O)CCN2CC[NH2+]CC2)c1 ZINC000057556432 524789648 /nfs/dbraw/zinc/78/96/48/524789648.db2.gz GGTKCBNXYHUCOU-UHFFFAOYSA-N 1 0 268.382 0.674 10 0 CCAERO Cc1cc(N)c[nH+]c1NC[C@H]1CCS(=O)(=O)C1 ZINC000052813522 525039125 /nfs/dbraw/zinc/03/91/25/525039125.db2.gz OQRCAICFBYBWBW-SECBINFHSA-N 1 0 255.343 0.819 10 0 CCAERO C[C@@H]1CN(S(=O)(=O)C[C@@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000049632090 525040215 /nfs/dbraw/zinc/04/02/15/525040215.db2.gz NFLWKIZUPFJOPS-MXWKQRLJSA-N 1 0 262.375 0.177 10 0 CCAERO C[C@H]([NH2+]CCn1ccn(C)c(=O)c1=O)c1cccs1 ZINC000061797385 525376327 /nfs/dbraw/zinc/37/63/27/525376327.db2.gz ROKXEQOVPAKFIM-JTQLQIEISA-N 1 0 279.365 0.959 10 0 CCAERO C[C@H]([NH2+][C@H]1CCN2CCC[C@H]12)C(=O)N1CCCC1 ZINC000049568458 525619745 /nfs/dbraw/zinc/61/97/45/525619745.db2.gz SUQRXHYTSMWCFJ-RWMBFGLXSA-N 1 0 251.374 0.824 10 0 CCAERO C[C@H](C(=O)N1CCC[C@H](C)[C@@H]1C)N1CC[NH2+]CC1 ZINC000050567530 525976624 /nfs/dbraw/zinc/97/66/24/525976624.db2.gz OFBRXUTWUVEFTP-RWMBFGLXSA-N 1 0 253.390 0.927 10 0 CCAERO O=C(CC[N@H+]1C[C@H](O)C[C@@H]1CO)Nc1ccccc1F ZINC000184728959 526496172 /nfs/dbraw/zinc/49/61/72/526496172.db2.gz MWQRUAIZUUEPDV-GHMZBOCLSA-N 1 0 282.315 0.582 10 0 CCAERO [NH3+]CCCS(=O)(=O)N1CCOc2ccccc2C1 ZINC000063012865 527181512 /nfs/dbraw/zinc/18/15/12/527181512.db2.gz ZIJDWEAQKHEKHI-UHFFFAOYSA-N 1 0 270.354 0.560 10 0 CCAERO Cn1ccnc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1=O ZINC000183840615 527414961 /nfs/dbraw/zinc/41/49/61/527414961.db2.gz VWGYTOQBQFBVSZ-SNVBAGLBSA-N 1 0 277.328 0.092 10 0 CCAERO Nc1n[nH]c(C(=O)N2CCC([NH+]3CCCCC3)CC2)n1 ZINC000055168388 527543116 /nfs/dbraw/zinc/54/31/16/527543116.db2.gz WGUCCVVUCDJYQX-UHFFFAOYSA-N 1 0 278.360 0.477 10 0 CCAERO CN1C[C@H]([C@@H]2CC[NH2+]C[C@@H]2NC(=O)OC(C)(C)C)CN1 ZINC000669384894 545206396 /nfs/dbraw/zinc/20/63/96/545206396.db2.gz LUAVAJTWANYMQV-WOPDTQHZSA-N 1 0 284.404 0.555 10 0 CCAERO CC[NH+](CC)CCN(CC(C)C)C(=O)[C@@H]1CNC(=O)C1 ZINC000110353194 528119687 /nfs/dbraw/zinc/11/96/87/528119687.db2.gz OQCJZQHHWUYOME-ZDUSSCGKSA-N 1 0 283.416 0.949 10 0 CCAERO CC(C)c1noc(N2CCN([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000333586750 528504417 /nfs/dbraw/zinc/50/44/17/528504417.db2.gz USRWJWBPDQBUEL-LLVKDONJSA-N 1 0 265.361 0.677 10 0 CCAERO CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCc3ncnn3C2)CC1 ZINC000174815546 528987599 /nfs/dbraw/zinc/98/75/99/528987599.db2.gz RQAQFYNOMAVKBV-CYBMUJFWSA-N 1 0 291.399 0.830 10 0 CCAERO CC(C)S(=O)(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC000675055406 545320684 /nfs/dbraw/zinc/32/06/84/545320684.db2.gz SGNIYDLXGIZBPQ-UHFFFAOYSA-N 1 0 262.375 0.177 10 0 CCAERO C[C@H]1C[NH2+]CCN1Cc1c2c(nn1C)CCOC2 ZINC000675055979 545320688 /nfs/dbraw/zinc/32/06/88/545320688.db2.gz GGFAPPCIAYQANM-JTQLQIEISA-N 1 0 250.346 0.287 10 0 CCAERO CS(=O)(=O)CCCCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000675293906 545324367 /nfs/dbraw/zinc/32/43/67/545324367.db2.gz BMPALMGXJGQNKX-GFCCVEGCSA-N 1 0 260.403 0.591 10 0 CCAERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCCCS(C)(=O)=O ZINC000675295391 545324416 /nfs/dbraw/zinc/32/44/16/545324416.db2.gz LSKIAMQEKGAPEZ-STQMWFEESA-N 1 0 274.430 0.980 10 0 CCAERO CCOc1ccccc1OCC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000262353409 535536903 /nfs/dbraw/zinc/53/69/03/535536903.db2.gz UPISMYJIDDOALU-RYUDHWBXSA-N 1 0 294.351 0.161 10 0 CCAERO CC[N@H+](CC(=O)N1C[C@@H](OC)C[C@H]1COC)C1CC1 ZINC000344813597 535769271 /nfs/dbraw/zinc/76/92/71/535769271.db2.gz QYIQNUIURKCAJD-STQMWFEESA-N 1 0 270.373 0.733 10 0 CCAERO C[NH2+][C@H](C(=O)N1CC[C@@]2(CCOC2)C1)c1cnn(C)c1 ZINC000262504486 536379727 /nfs/dbraw/zinc/37/97/27/536379727.db2.gz IZMHBCZDTBHTEE-GXTWGEPZSA-N 1 0 278.356 0.320 10 0 CCAERO COc1cc(C)c(CNC[C@@H]2C[NH2+]C[C@@H]2O)cc1OC ZINC000263259616 536576771 /nfs/dbraw/zinc/57/67/71/536576771.db2.gz QTWOSDRKLVJIET-OLZOCXBDSA-N 1 0 280.368 0.682 10 0 CCAERO COC[C@@H]([NH3+])C(=O)NCc1cccnc1-n1ccnc1C ZINC000262261839 536663238 /nfs/dbraw/zinc/66/32/38/536663238.db2.gz JMSPMHJOCBNJRX-GFCCVEGCSA-N 1 0 289.339 0.166 10 0 CCAERO COCCn1cc(C[N@@H+]2C[C@@H](OC)C[C@H]2COC)cn1 ZINC000343827335 536845361 /nfs/dbraw/zinc/84/53/61/536845361.db2.gz MXHIMQDNQCBHBQ-KBPBESRZSA-N 1 0 283.372 0.765 10 0 CCAERO CN1CCO[C@@H](C[N@H+](C)C[C@@H](O)CC(F)(F)F)C1 ZINC000682525747 545482278 /nfs/dbraw/zinc/48/22/78/545482278.db2.gz MQTJOXYBAHUEMQ-VHSXEESVSA-N 1 0 270.295 0.562 10 0 CCAERO CC(C)C[C@H]([NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-] ZINC000034266417 571750575 /nfs/dbraw/zinc/75/05/75/571750575.db2.gz OTXBNHIUIHNGAO-UWVGGRQHSA-N 1 0 259.350 0.058 10 0 endogenous,in-man CCAERO CC(C)[NH+]1CCC(C(=O)[O-])(N2CC[NH2+]CC2)CC1 ZINC000037963265 570248612 /nfs/dbraw/zinc/24/86/12/570248612.db2.gz HCLILWXYWSURHD-UHFFFAOYSA-N 1 0 255.362 0.219 10 0 CCAERO COC(=O)[C@](C)([NH3+])CCn1cc(Br)cn1 ZINC000045437501 570273327 /nfs/dbraw/zinc/27/33/27/570273327.db2.gz HTJPYDPCFMGQAM-SECBINFHSA-N 1 0 276.134 0.926 10 0 CCAERO Cc1nn(C)cc1C[NH2+]C1CCN(CCO)CC1 ZINC000399241321 581208459 /nfs/dbraw/zinc/20/84/59/581208459.db2.gz IXISYTQUBVFDSG-UHFFFAOYSA-N 1 0 252.362 0.275 10 0 CCAERO CCCC[C@H]([NH3+])CS(=O)(=O)N1CCOCC1 ZINC000757154341 581683987 /nfs/dbraw/zinc/68/39/87/581683987.db2.gz XIJXHRWUVNOAEU-JTQLQIEISA-N 1 0 250.364 0.166 10 0 CCAERO CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@]12CCS(=O)(=O)C2 ZINC000757185879 581685193 /nfs/dbraw/zinc/68/51/93/581685193.db2.gz URISPSJKKOFISJ-SKDRFNHKSA-N 1 0 275.370 0.352 10 0 CCAERO CC(C)(C)OC(=O)N(C[C@@H](O)CO)c1ccc(C[NH3+])nc1 ZINC000757135587 581696304 /nfs/dbraw/zinc/69/63/04/581696304.db2.gz WNTOQZCYMUZYPK-GFCCVEGCSA-N 1 0 297.355 0.635 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@@]12CCCN2CCS(C)(=O)=O ZINC000757134673 581940950 /nfs/dbraw/zinc/94/09/50/581940950.db2.gz WZLSIRSRTCPORM-NWDGAFQWSA-N 1 0 260.403 0.638 10 0 CCAERO CC(C)(C)[C@H](O)CNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896988732 614038802 /nfs/dbraw/zinc/03/88/02/614038802.db2.gz JHIHVUOJAOPIGF-NWDGAFQWSA-N 1 0 270.373 0.230 10 0 CCAERO CCOC(=O)NCC(=O)NC[C@H](C)[NH+](CC)CC ZINC000042481684 615243699 /nfs/dbraw/zinc/24/36/99/615243699.db2.gz RXDPGIDNKUMWRR-JTQLQIEISA-N 1 0 259.350 0.579 10 0 CCAERO CC[C@H]1C[N@H+](CCC2OCCO2)CCN1CCOC ZINC000124175776 615914359 /nfs/dbraw/zinc/91/43/59/615914359.db2.gz YKHLVFVRBITXGX-ZDUSSCGKSA-N 1 0 272.389 0.792 10 0 CCAERO C[NH+](C)[C@@H]1CN(Cc2cocn2)C[C@@H]1n1ccnn1 ZINC000862497522 615983012 /nfs/dbraw/zinc/98/30/12/615983012.db2.gz HJVFKDHIPJDCKJ-NEPJUHHUSA-N 1 0 262.317 0.253 10 0 CCAERO COC[C@@H](O)C[N@@H+]1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000931117960 616909962 /nfs/dbraw/zinc/90/99/62/616909962.db2.gz ATGDKXCASCKBLQ-RYUDHWBXSA-N 1 0 266.345 0.410 10 0 CCAERO COC(=O)c1cn(CN2CC[C@H](c3cnn(C)c3)C2)nn1 ZINC000116257880 616962642 /nfs/dbraw/zinc/96/26/42/616962642.db2.gz BKEKFLDGWCRSML-JTQLQIEISA-N 1 0 290.327 0.245 10 0 CCAERO COC(=O)[C@@H]1CCCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000312107199 625371703 /nfs/dbraw/zinc/37/17/03/625371703.db2.gz KRQAFCYAGVHYSF-OLZOCXBDSA-N 1 0 270.373 0.328 10 0 CCAERO O=C1NCC[C@@H]1CC[N@@H+]1CC[C@H](n2cc(C3CC3)nn2)C1 ZINC000931120691 625477839 /nfs/dbraw/zinc/47/78/39/625477839.db2.gz IGEBCWUCFPXZCZ-OLZOCXBDSA-N 1 0 289.383 0.929 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1n[nH]nc1C ZINC000194252886 625580934 /nfs/dbraw/zinc/58/09/34/625580934.db2.gz PMXCSPVYILGGRX-JTQLQIEISA-N 1 0 251.334 0.669 10 0 CCAERO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)/C=C\c1ccccc1 ZINC000255677581 623238149 /nfs/dbraw/zinc/23/81/49/623238149.db2.gz YEMRDISITPQQFO-CMUBDUJZSA-N 1 0 298.408 0.889 10 0 CCAERO C[C@H](C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O)c1ccccc1 ZINC000252895794 624483747 /nfs/dbraw/zinc/48/37/47/624483747.db2.gz ZZFHDEZQANWGTG-RAIGVLPGSA-N 1 0 269.366 0.538 10 0 CCAERO Cn1nccc1-c1ccnc(N2CCC([NH3+])CC2)n1 ZINC000236094579 624781055 /nfs/dbraw/zinc/78/10/55/624781055.db2.gz UQTLNCAWOHQFPV-UHFFFAOYSA-N 1 0 258.329 0.805 10 0 CCAERO CNC(=O)c1ccc(NCCCCCC[NH3+])nn1 ZINC000234376826 624930662 /nfs/dbraw/zinc/93/06/62/624930662.db2.gz MKVLSZFBTSOZTP-UHFFFAOYSA-N 1 0 251.334 0.767 10 0 CCAERO CCCCOC[C@H](O)CN1CCCO[C@H](C[NH3+])C1 ZINC000313333530 625770854 /nfs/dbraw/zinc/77/08/54/625770854.db2.gz FIAHQOGMSAMGCS-CHWSQXEVSA-N 1 0 260.378 0.214 10 0 CCAERO CN1CCO[C@H](C[NH2+][C@@H]2CCOC3(CCOCC3)C2)C1 ZINC000094374880 631066977 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0.656 10 0 CCAERO COC[C@H](C)C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000103535052 349703223 /nfs/dbraw/zinc/70/32/23/349703223.db2.gz PJXCHEYRRVIDDI-NWDGAFQWSA-N 1 0 257.378 0.021 10 0 CCAERO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@]2(C)CCCNC2=O)C1 ZINC000365294347 282193507 /nfs/dbraw/zinc/19/35/07/282193507.db2.gz YJXPASPNKRKFIW-ZOWXZIJZSA-N 1 0 281.400 0.892 10 0 CCAERO Cc1noc(CCNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000105221800 349721451 /nfs/dbraw/zinc/72/14/51/349721451.db2.gz VGUHNLSSFNFNPO-GFCCVEGCSA-N 1 0 293.371 0.800 10 0 CCAERO CC(C)C(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000104186676 349709890 /nfs/dbraw/zinc/70/98/90/349709890.db2.gz GOGILOBGOFAWOR-STQMWFEESA-N 1 0 281.400 0.701 10 0 CCAERO Cc1nnc([C@H](C)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)o1 ZINC000105824401 349725427 /nfs/dbraw/zinc/72/54/27/349725427.db2.gz RMOWOXHPIFTVQB-MXWKQRLJSA-N 1 0 268.361 0.826 10 0 CCAERO CC(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105817812 349725507 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VSMMELKVRMQSKS-GMOODISLSA-N 1 0 284.306 0.765 10 0 CCAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000262378356 137041324 /nfs/dbraw/zinc/04/13/24/137041324.db2.gz WSVPWWOWBDYGNE-UKKREREHSA-N 1 0 296.317 0.765 10 0 CCAERO CCOc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262388003 137041590 /nfs/dbraw/zinc/04/15/90/137041590.db2.gz XPFSEZNPBBXSFA-DGCLKSJQSA-N 1 0 264.325 0.395 10 0 CCAERO Cc1ccc(F)c(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000262383755 137041726 /nfs/dbraw/zinc/04/17/26/137041726.db2.gz XGKCTGKMAZYECR-BXKDBHETSA-N 1 0 252.289 0.444 10 0 CCAERO CCc1oc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1C ZINC000262408995 137042595 /nfs/dbraw/zinc/04/25/95/137042595.db2.gz ZAXJIBSSKVWBJX-NXEZZACHSA-N 1 0 252.314 0.461 10 0 CCAERO CN1CC[NH2+]C[C@@H]1c1noc(-c2c[nH]c(C3CC3)n2)n1 ZINC000263176516 137059519 /nfs/dbraw/zinc/05/95/19/137059519.db2.gz GGIFLKNNRQBFHC-SNVBAGLBSA-N 1 0 274.328 0.913 10 0 CCAERO C[C@H]1CN([C@H](CNC(N)=[NH2+])c2cccs2)CCO1 ZINC000262499736 137045186 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NZWPECPOEJJTOV-OLZOCXBDSA-N 1 0 297.399 0.034 10 0 CCAERO COC(=O)C[C@@H]1CCCN1C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188965716 351642669 /nfs/dbraw/zinc/64/26/69/351642669.db2.gz UCYXYVVTVFAONC-VIFPVBQESA-N 1 0 292.339 0.223 10 0 CCAERO CC(C)=CCNC(=O)NCC1CC[NH+](CCO)CC1 ZINC000188807385 351631107 /nfs/dbraw/zinc/63/11/07/351631107.db2.gz CKPYEIYQIWNOMF-UHFFFAOYSA-N 1 0 269.389 0.956 10 0 CCAERO C[C@@H]1OCCC[C@H]1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000189720941 351697526 /nfs/dbraw/zinc/69/75/26/351697526.db2.gz MNEHEKUEAOQPQU-LOWVWBTDSA-N 1 0 258.362 0.230 10 0 CCAERO CC[C@H](C(=O)N1CCN(c2cc(C)[nH]n2)CC1)[NH+](C)C ZINC000189773658 351700760 /nfs/dbraw/zinc/70/07/60/351700760.db2.gz JWZUQXGIXKNVQL-GFCCVEGCSA-N 1 0 279.388 0.707 10 0 CCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H](CO)c2ccccc2)C1 ZINC000189280858 351664249 /nfs/dbraw/zinc/66/42/49/351664249.db2.gz KGMNGMCVXUBJCR-MELADBBJSA-N 1 0 278.352 0.256 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NOC[C@@H]1CCOC1 ZINC000190441178 351722733 /nfs/dbraw/zinc/72/27/33/351722733.db2.gz ZUVUPADTPCAAAE-JHJVBQTASA-N 1 0 283.372 0.833 10 0 CCAERO C[C@H]1OCCC[C@H]1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000191164183 351749651 /nfs/dbraw/zinc/74/96/51/351749651.db2.gz FCFSUVYFOLETPF-ZIAGYGMSSA-N 1 0 283.416 0.555 10 0 CCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)NCCSC(F)(F)F)C1 ZINC000191896988 351776875 /nfs/dbraw/zinc/77/68/75/351776875.db2.gz NDRKZWBHHVIJMD-NKWVEPMBSA-N 1 0 272.292 0.733 10 0 CCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H](O)c2ccc(C)cc2)C1 ZINC000191898413 351777200 /nfs/dbraw/zinc/77/72/00/351777200.db2.gz AXPUQCUHKKARSU-BFHYXJOUSA-N 1 0 278.352 0.522 10 0 CCAERO CC(C)[NH2+]CCN1CCC(Cn2ccnn2)CC1 ZINC000191593764 351765028 /nfs/dbraw/zinc/76/50/28/351765028.db2.gz ITITYKKBGVYOML-UHFFFAOYSA-N 1 0 251.378 0.988 10 0 CCAERO CC(C)c1nnc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)n1C ZINC000193606119 351835343 /nfs/dbraw/zinc/83/53/43/351835343.db2.gz MAWFRQBBGYPXAF-TXEJJXNPSA-N 1 0 263.389 0.932 10 0 CCAERO C[N@H+]1C[C@H]2CN(CC(=O)NC3CCCC3)C[C@H]2C1 ZINC000193637815 351838736 /nfs/dbraw/zinc/83/87/36/351838736.db2.gz LAVXYXWLODXOIF-TXEJJXNPSA-N 1 0 251.374 0.539 10 0 CCAERO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](C[C@@H](C)O)C2)n1 ZINC000192979186 351806519 /nfs/dbraw/zinc/80/65/19/351806519.db2.gz JCUABMAIGXFKJF-ZWNOBZJWSA-N 1 0 252.362 0.988 10 0 CCAERO C[C@H](C(=O)NC[C@H]1CCCO1)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193648170 351838757 /nfs/dbraw/zinc/83/87/57/351838757.db2.gz XKSQOBCOAKSKHV-YIYPIFLZSA-N 1 0 281.400 0.164 10 0 CCAERO COC(=O)C1CCC(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000212508020 351929726 /nfs/dbraw/zinc/92/97/26/351929726.db2.gz RSCSMOUCHGAGET-QONHTCSSSA-N 1 0 272.320 0.534 10 0 CCAERO [NH3+][C@H]1CC[C@@H](C(=O)NCc2nnnn2-c2ccccc2)C1 ZINC000215337697 351934958 /nfs/dbraw/zinc/93/49/58/351934958.db2.gz PUNZPPWLAADTEN-MNOVXSKESA-N 1 0 286.339 0.406 10 0 CCAERO O=C(C[NH+]1CCC(c2cc[nH]n2)CC1)N1CCOCC1 ZINC000195506930 351915738 /nfs/dbraw/zinc/91/57/38/351915738.db2.gz DKVZHKCCFQJEQP-UHFFFAOYSA-N 1 0 278.356 0.448 10 0 CCAERO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)NC1CC1 ZINC000220410248 351973217 /nfs/dbraw/zinc/97/32/17/351973217.db2.gz CSFAGUYLERXMRO-RISCZKNCSA-N 1 0 252.358 0.892 10 0 CCAERO CC(=O)NCC1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000227424479 352050968 /nfs/dbraw/zinc/05/09/68/352050968.db2.gz AARRXWAVKVRGOO-ZWNOBZJWSA-N 1 0 267.373 0.217 10 0 CCAERO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](CCO)C2)C[C@H](C)O1 ZINC000227571752 352054774 /nfs/dbraw/zinc/05/47/74/352054774.db2.gz TWQPKCGOUOZQCV-XQQFMLRXSA-N 1 0 270.373 0.327 10 0 CCAERO CCCCOC[C@@H](O)C[NH+]1CCC(OCCO)CC1 ZINC000227907750 352062840 /nfs/dbraw/zinc/06/28/40/352062840.db2.gz FSZHUEZUBPTMQV-ZDUSSCGKSA-N 1 0 275.389 0.637 10 0 CCAERO CCc1nnc(NC(=O)C(C)(C)N2CC[NH2+]CC2)s1 ZINC000226299423 352022573 /nfs/dbraw/zinc/02/25/73/352022573.db2.gz FUSKVDPQCPZHIW-UHFFFAOYSA-N 1 0 283.401 0.723 10 0 CCAERO Cc1c(CNC(=O)C(C)(C)N2CC[NH2+]CC2)cnn1C ZINC000226414312 352027058 /nfs/dbraw/zinc/02/70/58/352027058.db2.gz UYDQISWGQSHHHA-UHFFFAOYSA-N 1 0 279.388 0.029 10 0 CCAERO C[NH2+]C(C)(C)C(=O)c1c(Br)nnn1C ZINC000234383428 352158372 /nfs/dbraw/zinc/15/83/72/352158372.db2.gz VGYBRYIYBKSFQY-UHFFFAOYSA-N 1 0 261.123 0.758 10 0 CCAERO COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCS[C@@H](C)C1 ZINC000234716908 352167341 /nfs/dbraw/zinc/16/73/41/352167341.db2.gz FPRSZJRFTIRQPX-SRVKXCTJSA-N 1 0 263.403 0.836 10 0 CCAERO Cn1nc(C2CC2)c2ncnc(N3CC[NH2+]CC3)c21 ZINC000040542546 282804029 /nfs/dbraw/zinc/80/40/29/282804029.db2.gz NRHILXMPGMETLV-UHFFFAOYSA-N 1 0 258.329 0.650 10 0 CCAERO COc1cccc(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)c1O ZINC000234977184 352179597 /nfs/dbraw/zinc/17/95/97/352179597.db2.gz LLAYWWOLCNFRMB-WCBMZHEXSA-N 1 0 250.298 0.820 10 0 CCAERO Nc1ncnc(N2CC[NH2+]CC2)c1Br ZINC000236389751 352194388 /nfs/dbraw/zinc/19/43/88/352194388.db2.gz CYVOXWZIMZAVMC-UHFFFAOYSA-N 1 0 258.123 0.231 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1COCCO1 ZINC000245438296 352322749 /nfs/dbraw/zinc/32/27/49/352322749.db2.gz XUIFIWUKTSYULN-VXGBXAGGSA-N 1 0 256.346 0.345 10 0 CCAERO Cc1nc(SCC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)n[nH]1 ZINC000245458595 352324319 /nfs/dbraw/zinc/32/43/19/352324319.db2.gz KPTYRYOCZPIACG-MWLCHTKSSA-N 1 0 295.412 0.900 10 0 CCAERO CC[C@H]1CN(Cc2cc[nH]n2)CC[N@@H+]1C[C@H](C)O ZINC000245693366 352333641 /nfs/dbraw/zinc/33/36/41/352333641.db2.gz BUKZXJWGQFWNSZ-AAEUAGOBSA-N 1 0 252.362 0.687 10 0 CCAERO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCC(=O)NCC1CC1 ZINC000245961996 352342627 /nfs/dbraw/zinc/34/26/27/352342627.db2.gz MTDMJIRTTDDHHG-DGCLKSJQSA-N 1 0 296.415 0.494 10 0 CCAERO CCCNC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCCCNC2=O)C1 ZINC000246000421 352343948 /nfs/dbraw/zinc/34/39/48/352343948.db2.gz YECSPTVXVVGDFD-OLZOCXBDSA-N 1 0 281.400 0.893 10 0 CCAERO C[C@@H](c1cnn(C)c1)[N@H+](C)C[C@@H](O)CN1CCCC1=O ZINC000246052192 352345645 /nfs/dbraw/zinc/34/56/45/352345645.db2.gz ALTOZZMDFSKKQU-WCQYABFASA-N 1 0 280.372 0.396 10 0 CCAERO C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CC[C@H](C)O1 ZINC000246113842 352349025 /nfs/dbraw/zinc/34/90/25/352349025.db2.gz XVJPICFOHRFWQQ-FRRDWIJNSA-N 1 0 269.389 0.306 10 0 CCAERO COC[C@@H](C)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246135944 352350369 /nfs/dbraw/zinc/35/03/69/352350369.db2.gz NCRUNLQTCOAUSE-UPJWGTAASA-N 1 0 272.389 0.884 10 0 CCAERO C[C@H](CN1CCOCC1)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000246148066 352350397 /nfs/dbraw/zinc/35/03/97/352350397.db2.gz SRPIIOHLWAPQMQ-ZIAGYGMSSA-N 1 0 278.400 0.930 10 0 CCAERO COC(=O)C[C@H](C)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246152127 352350966 /nfs/dbraw/zinc/35/09/66/352350966.db2.gz ZWKVEFDTNXHOKP-QWRGUYRKSA-N 1 0 254.330 0.492 10 0 CCAERO C[C@@H](CN1CC[N@@H+]2CCC[C@H]2C1)CS(C)(=O)=O ZINC000246590402 352374675 /nfs/dbraw/zinc/37/46/75/352374675.db2.gz POPLKPFVILUWFG-RYUDHWBXSA-N 1 0 260.403 0.447 10 0 CCAERO COCCc1noc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1 ZINC000246786781 352383186 /nfs/dbraw/zinc/38/31/86/352383186.db2.gz BIXMBSYEONLGMT-RYUDHWBXSA-N 1 0 280.372 0.927 10 0 CCAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NC[C@H]1CCCO1 ZINC000246961408 352391163 /nfs/dbraw/zinc/39/11/63/352391163.db2.gz DJZIRODBZWHFOT-MGPQQGTHSA-N 1 0 281.400 0.450 10 0 CCAERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCn1cncn1 ZINC000247030922 352394417 /nfs/dbraw/zinc/39/44/17/352394417.db2.gz UJQOINLAUKSDRH-STQMWFEESA-N 1 0 277.372 0.753 10 0 CCAERO CCOCCC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000247059811 352396173 /nfs/dbraw/zinc/39/61/73/352396173.db2.gz YYSICMILRJKDDS-QWHCGFSZSA-N 1 0 272.389 0.717 10 0 CCAERO CC(C)[C@H](C)NC(=O)CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000247083621 352397274 /nfs/dbraw/zinc/39/72/74/352397274.db2.gz HDLAHJUDPPGFOM-STQMWFEESA-N 1 0 271.405 0.410 10 0 CCAERO O=C(CN1CC[N@@H+]2CCC[C@H]2C1)NCc1cccnc1 ZINC000247506349 352418520 /nfs/dbraw/zinc/41/85/20/352418520.db2.gz IYJKDFGCVZJSLM-AWEZNQCLSA-N 1 0 274.368 0.478 10 0 CCAERO CCn1cc(C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000248629117 352449574 /nfs/dbraw/zinc/44/95/74/352449574.db2.gz ORTJJZMPLMZWCZ-ZMLRMANQSA-N 1 0 276.340 0.281 10 0 CCAERO COC1(CNC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)CCC1 ZINC000248645699 352450873 /nfs/dbraw/zinc/45/08/73/352450873.db2.gz SJFCAQKWSZZSRB-OLZOCXBDSA-N 1 0 299.415 0.652 10 0 CCAERO COC(=O)N[C@H](CC(C)C)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248647316 352451522 /nfs/dbraw/zinc/45/15/22/352451522.db2.gz SXTWHPPIXWVSFS-WUHRBBMRSA-N 1 0 297.399 0.953 10 0 CCAERO C[C@@H]1C[C@H](NC(=O)[C@H]2CCCCC(=O)N2)C[N@@H+]1C1CC1 ZINC000248685794 352453778 /nfs/dbraw/zinc/45/37/78/352453778.db2.gz TWIIKCPSLJDRDM-NTZNESFSSA-N 1 0 279.384 0.787 10 0 CCAERO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@H]1C[C@@H]1C ZINC000248705152 352454680 /nfs/dbraw/zinc/45/46/80/352454680.db2.gz LTSJMHROGBOQMM-XQQFMLRXSA-N 1 0 268.405 0.720 10 0 CCAERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCO ZINC000248704503 352454987 /nfs/dbraw/zinc/45/49/87/352454987.db2.gz AQHUAGKQAJEQQM-GXTWGEPZSA-N 1 0 277.368 0.798 10 0 CCAERO CCNC(=O)CC[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC ZINC000248828313 352461440 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Cc1cc(C)nc(N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)n1 ZINC000266378787 352699156 /nfs/dbraw/zinc/69/91/56/352699156.db2.gz MSAAGGYWEHAOEM-STQMWFEESA-N 1 0 264.373 0.985 10 0 CCAERO Cc1cc2c(N3CC[N@@H+](C[C@H](C)O)[C@@H](C)C3)nccn2n1 ZINC000274711445 353155471 /nfs/dbraw/zinc/15/54/71/353155471.db2.gz YASRHPDDPMVGAU-STQMWFEESA-N 1 0 289.383 0.929 10 0 CCAERO Cc1cc(CC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)[nH]n1 ZINC000154790836 188162549 /nfs/dbraw/zinc/16/25/49/188162549.db2.gz JNLIVCQYCLVISD-AAEUAGOBSA-N 1 0 262.357 0.956 10 0 CCAERO C[C@H]([NH3+])C(=O)NCc1cccnc1OCC(F)F ZINC000158122635 188358911 /nfs/dbraw/zinc/35/89/11/188358911.db2.gz RSLYESMOSMTVLL-ZETCQYMHSA-N 1 0 259.256 0.689 10 0 CCAERO COc1ccnc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)c1OC ZINC000282203136 353402280 /nfs/dbraw/zinc/40/22/80/353402280.db2.gz CUIOIOBXQQYFOQ-VHSXEESVSA-N 1 0 279.340 0.856 10 0 CCAERO Cc1nc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c(C)o1 ZINC000293822043 353842622 /nfs/dbraw/zinc/84/26/22/353842622.db2.gz 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354222641 /nfs/dbraw/zinc/22/26/41/354222641.db2.gz QKDAEIQHUKROIF-ZDUSSCGKSA-N 1 0 252.362 0.273 10 0 CCAERO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@H]1CNC(=O)C1 ZINC000329906232 354271063 /nfs/dbraw/zinc/27/10/63/354271063.db2.gz KAOWXIDNWBHISY-VXGBXAGGSA-N 1 0 295.383 0.675 10 0 CCAERO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CNC(=O)C2)C1 ZINC000333696960 354778695 /nfs/dbraw/zinc/77/86/95/354778695.db2.gz DHJCTWRKNKNYGA-GHMZBOCLSA-N 1 0 253.346 0.064 10 0 CCAERO O=C(NC1CC[NH2+]CC1)N1CC[C@H](Oc2ccccn2)C1 ZINC000333846653 354804497 /nfs/dbraw/zinc/80/44/97/354804497.db2.gz WJUXKXQACJEVQU-ZDUSSCGKSA-N 1 0 290.367 0.996 10 0 CCAERO CC[C@@]1(O)CCN(C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000333856729 354806163 /nfs/dbraw/zinc/80/61/63/354806163.db2.gz RCOOLJGHLGHPBU-WCQYABFASA-N 1 0 255.362 0.685 10 0 CCAERO C[C@@H](Nc1nc2c(cnn2C)c(N)n1)[C@H]1CCC[NH2+]C1 ZINC000333927328 354817225 /nfs/dbraw/zinc/81/72/25/354817225.db2.gz WGYTXLGODDJPLT-BDAKNGLRSA-N 1 0 275.360 0.167 10 0 CCAERO O=C(N[C@H]1CCCOCC1)N[C@H]1CCCC[NH2+]C1 ZINC000333791460 354795155 /nfs/dbraw/zinc/79/51/55/354795155.db2.gz MMNOLAAEUAANEJ-RYUDHWBXSA-N 1 0 255.362 0.997 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1cc(F)c(Cl)cc1F ZINC000335162151 354977083 /nfs/dbraw/zinc/97/70/83/354977083.db2.gz PIQYSAQZKLKYIL-KBUNVGBDSA-N 1 0 290.697 0.928 10 0 CCAERO O=C1NCCC[C@@H]1C[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000335394713 354994890 /nfs/dbraw/zinc/99/48/90/354994890.db2.gz HIGPIBLNMBHFEL-YPMHNXCESA-N 1 0 270.398 0.721 10 0 CCAERO O=C(NC1C[NH2+]C1)N1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000335397879 354996056 /nfs/dbraw/zinc/99/60/56/354996056.db2.gz WYXPHQLTJNVKMP-AAEUAGOBSA-N 1 0 251.330 0.311 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1sccc1Cl ZINC000335469439 354999585 /nfs/dbraw/zinc/99/95/85/354999585.db2.gz IMQLXAVVJUEQCV-SVRRBLITSA-N 1 0 260.746 0.712 10 0 CCAERO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000335925915 355047773 /nfs/dbraw/zinc/04/77/73/355047773.db2.gz LHXSIYDWXRSMKE-STQMWFEESA-N 1 0 281.400 0.938 10 0 CCAERO C[NH+](C)C[C@H]1CN(C(=O)NCc2ccccn2)CCO1 ZINC000172113492 188782050 /nfs/dbraw/zinc/78/20/50/188782050.db2.gz QKFDNFKJJOFABR-ZDUSSCGKSA-N 1 0 278.356 0.554 10 0 CCAERO COC1(CC[N@@H+]2CCC[C@](O)(C(N)=O)C2)CCC1 ZINC000336795325 355168482 /nfs/dbraw/zinc/16/84/82/355168482.db2.gz JRZSCTUVMXXRGE-CYBMUJFWSA-N 1 0 256.346 0.258 10 0 CCAERO CC(=O)N1CCC[C@H](C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)C1 ZINC000337152171 355274898 /nfs/dbraw/zinc/27/48/98/355274898.db2.gz MDPNHNSAYATBSJ-MELADBBJSA-N 1 0 281.400 0.844 10 0 CCAERO C[C@@H](CN1CCCC[C@H]1C(=[NH2+])NO)CS(C)(=O)=O ZINC000368523128 295910725 /nfs/dbraw/zinc/91/07/25/295910725.db2.gz CHZSUAOGRIFLOT-UWVGGRQHSA-N 1 0 277.390 0.478 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)Cc2cc(C)on2)C1 ZINC000328901518 202105873 /nfs/dbraw/zinc/10/58/73/202105873.db2.gz ZDJCBUXKYKKJBG-LLVKDONJSA-N 1 0 287.385 0.887 10 0 CCAERO CO[C@H]1C[C@@H](C(=O)N2CCC[C@@H](n3cccn3)C2)[N@H+](C)C1 ZINC000328948681 202125864 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CCAERO C[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000408021626 357871295 /nfs/dbraw/zinc/87/12/95/357871295.db2.gz ITBYYSRHESKOAR-DGCLKSJQSA-N 1 0 281.400 0.844 10 0 CCAERO CCOC(C)(C)CNC(=O)N1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000408023911 357871739 /nfs/dbraw/zinc/87/17/39/357871739.db2.gz WJBAWTBGGOAJQG-STQMWFEESA-N 1 0 299.415 0.916 10 0 CCAERO COC(=O)c1cnc(N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)nc1 ZINC000408027632 357874665 /nfs/dbraw/zinc/87/46/65/357874665.db2.gz AIMBBWFFIJNCEI-NWDGAFQWSA-N 1 0 292.339 0.173 10 0 CCAERO CO[C@H]1C[C@@H](C(=O)N2CCC(c3ncc[nH]3)CC2)[N@H+](C)C1 ZINC000408035597 357878373 /nfs/dbraw/zinc/87/83/73/357878373.db2.gz MXKXJEIJQQSHNA-STQMWFEESA-N 1 0 292.383 0.835 10 0 CCAERO CO[C@H]1C[C@@H](CO)[N@@H+]([C@@H]2CCCN(C(C)C)C2=O)C1 ZINC000408036307 357879223 /nfs/dbraw/zinc/87/92/23/357879223.db2.gz SEJFIXNOIYFLTQ-RWMBFGLXSA-N 1 0 270.373 0.467 10 0 CCAERO CSC[C@H](O)C[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O ZINC000408046919 357886756 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C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCO[C@@H](CO)C1 ZINC000408375587 358060094 /nfs/dbraw/zinc/06/00/94/358060094.db2.gz TVLRANTWUVOGKV-IJLUTSLNSA-N 1 0 256.346 0.079 10 0 CCAERO Cc1noc([C@H]2C[C@H](O)CN2c2cc(C)ncn2)n1 ZINC000408386398 358066950 /nfs/dbraw/zinc/06/69/50/358066950.db2.gz PCWGTBSWAGDMNG-VHSXEESVSA-N 1 0 261.285 0.789 10 0 CCAERO C[C@@H]1OCC[C@@H]1NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000408402824 358076005 /nfs/dbraw/zinc/07/60/05/358076005.db2.gz BJJGUMUKZHCHOU-AVGNSLFASA-N 1 0 299.415 0.650 10 0 CCAERO [NH3+][C@H]1CCc2nnc(N3CCSCC3)cc2C1 ZINC000409422265 358111802 /nfs/dbraw/zinc/11/18/02/358111802.db2.gz DIFMUFKNTSWMAA-JTQLQIEISA-N 1 0 250.371 0.846 10 0 CCAERO C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)C2)CC1 ZINC000336196656 213016399 /nfs/dbraw/zinc/01/63/99/213016399.db2.gz KBJRZWAWXQFTGC-GHMZBOCLSA-N 1 0 253.346 0.065 10 0 CCAERO CN(C(=O)c1ccc(C(N)=O)cc1)[C@H]1CCC[NH2+]CC1 ZINC000336150071 212963895 /nfs/dbraw/zinc/96/38/95/212963895.db2.gz 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283.397 0.879 10 0 CCAERO CN1CCN(C(=O)[C@H]2C[NH2+]CCOC2)c2ccccc21 ZINC000649302822 390562753 /nfs/dbraw/zinc/56/27/53/390562753.db2.gz SXMJHVQCFSVEBO-LBPRGKRZSA-N 1 0 275.352 0.705 10 0 CCAERO Cc1cnc([C@@H](C)NC(=O)[C@@H]2C[NH2+]CCOC2)s1 ZINC000649346462 390600047 /nfs/dbraw/zinc/60/00/47/390600047.db2.gz JKAIRVMQKMWQNU-NXEZZACHSA-N 1 0 269.370 0.865 10 0 CCAERO COC[C@]1(C(=O)N[C@@H](C)Cn2cccn2)CCC[NH2+]1 ZINC000649354320 390604291 /nfs/dbraw/zinc/60/42/91/390604291.db2.gz YQGQPKUOHROWRR-AAEUAGOBSA-N 1 0 266.345 0.156 10 0 CCAERO Cc1nccn1CC[NH2+][C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1 ZINC000643960685 390609200 /nfs/dbraw/zinc/60/92/00/390609200.db2.gz ADKPBMCIDDQKJP-KFWWJZLASA-N 1 0 278.400 0.769 10 0 CCAERO COc1cc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)ccc1F ZINC000647038027 390762533 /nfs/dbraw/zinc/76/25/33/390762533.db2.gz NPVGWFWOYKNKFG-MWLCHTKSSA-N 1 0 268.288 0.144 10 0 CCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(CNC(N)=O)cc1 ZINC000647044679 390764778 /nfs/dbraw/zinc/76/47/78/390764778.db2.gz KBASUMKDJBDOOF-SKDRFNHKSA-N 1 0 276.340 0.417 10 0 CCAERO C[C@@H](NC(=O)c1ccco1)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000647070273 390769512 /nfs/dbraw/zinc/76/95/12/390769512.db2.gz VCZVPNCNSWFAMO-HTQZYQBOSA-N 1 0 289.282 0.497 10 0 CCAERO Cc1ccc(S(C)(=O)=O)cc1C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000647084314 390772228 /nfs/dbraw/zinc/77/22/28/390772228.db2.gz DWSDPAONKCITBX-ZWNOBZJWSA-N 1 0 296.392 0.818 10 0 CCAERO C[C@H]1C[C@@H]([NH3+])CN1CN1C(=O)c2ccccc2C1=O ZINC000575589497 390842254 /nfs/dbraw/zinc/84/22/54/390842254.db2.gz LOSCCZNIHYTUJD-VHSXEESVSA-N 1 0 259.309 0.662 10 0 CCAERO C[NH+](C)C[C@H]1CN(C(=O)Nc2ccncn2)CCO1 ZINC000194096975 130671422 /nfs/dbraw/zinc/67/14/22/130671422.db2.gz CMELSIFVIAWLTD-JTQLQIEISA-N 1 0 265.317 0.271 10 0 CCAERO CCc1nn(C)c(OC)c1CNC(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC000237046812 131000462 /nfs/dbraw/zinc/00/04/62/131000462.db2.gz LRUGUHBCYBCRRE-CABZTGNLSA-N 1 0 282.388 0.981 10 0 CCAERO C[NH2+]CCN(C)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 ZINC000237316885 131023476 /nfs/dbraw/zinc/02/34/76/131023476.db2.gz DMNRWLJTHFWDSF-GXTWGEPZSA-N 1 0 290.367 0.279 10 0 CCAERO C[C@@H]1CCCN(c2ccc(S(N)(=O)=O)cn2)[C@H]1C[NH3+] ZINC000252115647 131132315 /nfs/dbraw/zinc/13/23/15/131132315.db2.gz INCOOOIYBHCNKW-KOLCDFICSA-N 1 0 284.385 0.293 10 0 CCAERO C[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1)[C@H]1CCCO1 ZINC000262029085 131185335 /nfs/dbraw/zinc/18/53/35/131185335.db2.gz XIOOCXJANOSOJN-AHLTXXRQSA-N 1 0 292.383 0.407 10 0 CCAERO C[C@H](C[NH3+])C(=O)N1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000262366659 131215155 /nfs/dbraw/zinc/21/51/55/131215155.db2.gz LCYXPJSEFKEGJO-UTUOFQBUSA-N 1 0 298.408 0.994 10 0 CCAERO COc1ccc(CCNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)cc1F ZINC000262460391 131222838 /nfs/dbraw/zinc/22/28/38/131222838.db2.gz FSJXKTVSPLAOHE-JQWIXIFHSA-N 1 0 282.315 0.216 10 0 CCAERO O=C(Nc1nc(-c2ccccn2)cs1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262617976 131242114 /nfs/dbraw/zinc/24/21/14/131242114.db2.gz ZGJVHHIZKONAEN-WPRPVWTQSA-N 1 0 290.348 0.866 10 0 CCAERO C[S@](=O)c1cccc(NC(=O)[C@@H]2CC[NH2+]C2)c1 ZINC000262633988 131244978 /nfs/dbraw/zinc/24/49/78/131244978.db2.gz VOAFJCKCQIIEAZ-XLFHBGCDSA-N 1 0 252.339 0.972 10 0 CCAERO CC[C@H]([NH3+])C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000037015584 397379398 /nfs/dbraw/zinc/37/93/98/397379398.db2.gz XWLQBTZNUXWAQR-KCJUWKMLSA-N 1 0 285.369 0.249 10 0 CCAERO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCC[C@@H](n3cccn3)C2)O1 ZINC000261938813 143929205 /nfs/dbraw/zinc/92/92/05/143929205.db2.gz JFTCUEVKSXYDGT-UPJWGTAASA-N 1 0 278.356 0.553 10 0 CCAERO CSc1ccsc1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262144205 143941772 /nfs/dbraw/zinc/94/17/72/143941772.db2.gz HHVZRJLDNYKKJD-HTQZYQBOSA-N 1 0 272.395 0.780 10 0 CCAERO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cc2ccccc2oc1=O ZINC000262150806 143942104 /nfs/dbraw/zinc/94/21/04/143942104.db2.gz HTNSHPMEYPIPBC-ZYHUDNBSSA-N 1 0 288.303 0.103 10 0 CCAERO CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)Cc1nnc2n1CCC2 ZINC000037818516 397387302 /nfs/dbraw/zinc/38/73/02/397387302.db2.gz RYYVUPRPHKVMGE-JOYOIKCWSA-N 1 0 265.361 0.556 10 0 CCAERO CO[C@H]1C[NH2+][C@@H](C(=O)Nc2ccc(F)c(C(N)=O)c2)C1 ZINC000040633134 397393645 /nfs/dbraw/zinc/39/36/45/397393645.db2.gz JXUIGDADDQREMT-LDYMZIIASA-N 1 0 281.287 0.240 10 0 CCAERO C[C@@H]1C[C@@H](NC(=O)C(C)(C)N2CC[NH2+]CC2)[C@H](C)O1 ZINC000384921860 397497853 /nfs/dbraw/zinc/49/78/53/397497853.db2.gz PLLIGPLEZSEADZ-GRYCIOLGSA-N 1 0 269.389 0.352 10 0 CCAERO C[C@@H]1C[C@H](NC(=O)C(C)(C)N2CC[NH2+]CC2)[C@H](C)O1 ZINC000384921866 397498020 /nfs/dbraw/zinc/49/80/20/397498020.db2.gz PLLIGPLEZSEADZ-WOPDTQHZSA-N 1 0 269.389 0.352 10 0 CCAERO C[C@H](COCc1ccccc1)NC(=O)CN1CC[NH2+]CC1 ZINC000390762570 397512675 /nfs/dbraw/zinc/51/26/75/397512675.db2.gz BWZCESHSYZLSLF-CQSZACIVSA-N 1 0 291.395 0.613 10 0 CCAERO CSCC[C@@H]([NH3+])c1nnc2c(=O)n(C)ccn21 ZINC000616573785 397598509 /nfs/dbraw/zinc/59/85/09/397598509.db2.gz LDQSETMVNVRVAG-SSDOTTSWSA-N 1 0 253.331 0.181 10 0 CCAERO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)Cn1cnc2sccc2c1=O ZINC000644148286 397600622 /nfs/dbraw/zinc/60/06/22/397600622.db2.gz QSIZEACRDCCAAI-SCZZXKLOSA-N 1 0 292.364 0.406 10 0 CCAERO CO[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C[C@H](C)O)[N@H+](C)C1 ZINC000408043284 286082485 /nfs/dbraw/zinc/08/24/85/286082485.db2.gz PFIQNNWYDXTJRZ-CYDGBPFRSA-N 1 0 270.373 0.467 10 0 CCAERO CCCC[C@@H]([NH3+])CS(=O)(=O)N1CCOCC1 ZINC000757154344 581683956 /nfs/dbraw/zinc/68/39/56/581683956.db2.gz XIJXHRWUVNOAEU-SNVBAGLBSA-N 1 0 250.364 0.166 10 0 CCAERO CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H](O)C(F)(F)F)C1(C)C ZINC000261636077 286307135 /nfs/dbraw/zinc/30/71/35/286307135.db2.gz GVZBRYHRLAZQED-VAOFZXAKSA-N 1 0 298.305 0.558 10 0 CCAERO CN(C(=O)c1nnn(C(C)(C)C)n1)[C@H]1CCC[NH2+]CC1 ZINC000659303735 413391767 /nfs/dbraw/zinc/39/17/67/413391767.db2.gz ITNSPAUTLZPZTF-JTQLQIEISA-N 1 0 280.376 0.642 10 0 CCAERO [NH3+][C@H](CCC(=O)N[C@@H]1CCNC1=O)c1ccccc1 ZINC000659329398 413419836 /nfs/dbraw/zinc/41/98/36/413419836.db2.gz MZSPJEYTOBFEKG-VXGBXAGGSA-N 1 0 261.325 0.471 10 0 CCAERO C[C@@H]([NH3+])CCNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000178623877 286911839 /nfs/dbraw/zinc/91/18/39/286911839.db2.gz XMZMDYVGSHKWJJ-GHMZBOCLSA-N 1 0 267.373 0.631 10 0 CCAERO CC[C@@H]1CCC[C@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C1 ZINC000333619134 287079776 /nfs/dbraw/zinc/07/97/76/287079776.db2.gz RJVVVEPYQVPKFE-VOAKCMCISA-N 1 0 269.389 0.929 10 0 CCAERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCC(=O)N(C)C ZINC000173449916 287219894 /nfs/dbraw/zinc/21/98/94/287219894.db2.gz CSYWNWHDSAGQAN-VXGBXAGGSA-N 1 0 282.388 0.343 10 0 CCAERO CN1CCO[C@@H]2CCN(C(=O)c3n[nH]c4c3CCC4)C[C@@H]21 ZINC000284224282 196007000 /nfs/dbraw/zinc/00/70/00/196007000.db2.gz VJYGCLVSCPQXQC-QWHCGFSZSA-N 1 0 290.367 0.444 10 0 CCAERO CCN(CC(F)(F)F)C(=O)Cn1cc(C[NH3+])nn1 ZINC000123108203 411711638 /nfs/dbraw/zinc/71/16/38/411711638.db2.gz MFCIXTQPGOCRPZ-UHFFFAOYSA-N 1 0 265.239 0.148 10 0 CCAERO CCO[C@H]1CCCN(C(=O)C2([NH3+])CCOCC2)C1 ZINC000127889574 411715942 /nfs/dbraw/zinc/71/59/42/411715942.db2.gz GJMVGCATAMXTES-NSHDSACASA-N 1 0 256.346 0.522 10 0 CCAERO COc1ccccc1CNC(=O)Cn1cc(C[NH3+])nn1 ZINC000050224287 411678225 /nfs/dbraw/zinc/67/82/25/411678225.db2.gz QHLYKXDLQRNERZ-UHFFFAOYSA-N 1 0 275.312 0.062 10 0 CCAERO NC(=O)C[C@@H](N)C(=O)N[C@@H]1CCCc2sccc21 ZINC000061365707 411684403 /nfs/dbraw/zinc/68/44/03/411684403.db2.gz CVCLGCCQVSRVEP-RKDXNWHRSA-N 1 0 267.354 0.444 10 0 CCAERO COc1ccc(NC(=O)[C@H](C)n2cc(C[NH3+])nn2)cc1 ZINC000062272113 411688251 /nfs/dbraw/zinc/68/82/51/411688251.db2.gz AZNRDHGOIDJFIA-VIFPVBQESA-N 1 0 275.312 0.945 10 0 CCAERO CCC(C)(C)NC(=O)Cn1cc(C(C)(C)[NH3+])nn1 ZINC000070118879 411690119 /nfs/dbraw/zinc/69/01/19/411690119.db2.gz ABYBQKWXNNZWGI-UHFFFAOYSA-N 1 0 253.350 0.777 10 0 CCAERO C[C@@H]1CCCCN1C(=O)Cn1cc(C(C)(C)[NH3+])nn1 ZINC000070118162 411690293 /nfs/dbraw/zinc/69/02/93/411690293.db2.gz LPZISZRCNZGWSP-SNVBAGLBSA-N 1 0 265.361 0.873 10 0 CCAERO CC(C)(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000132903147 411728415 /nfs/dbraw/zinc/72/84/15/411728415.db2.gz XOYBFKTTXAPBGL-ZIAGYGMSSA-N 1 0 294.443 0.413 10 0 CCAERO CC1(C)[C@H]([NH2+]CC[C@]2(O)CCOC2)[C@@H]2CCO[C@@H]21 ZINC000404149206 411792009 /nfs/dbraw/zinc/79/20/09/411792009.db2.gz NXMNQMWFBWEECI-OPDFLTKYSA-N 1 0 255.358 0.931 10 0 CCAERO CCOC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccccc1 ZINC000616570521 411840407 /nfs/dbraw/zinc/84/04/07/411840407.db2.gz MYPDBMYQYNXEMM-QWHCGFSZSA-N 1 0 276.336 0.811 10 0 CCAERO COC(=O)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000616572037 411841161 /nfs/dbraw/zinc/84/11/61/411841161.db2.gz SVMKLFGPIYJSML-VXGBXAGGSA-N 1 0 280.299 0.642 10 0 CCAERO CCCS(=O)(=O)N(CCC[NH3+])Cc1cccnc1 ZINC000019811680 170879139 /nfs/dbraw/zinc/87/91/39/170879139.db2.gz SIUWAKOUYJFMBG-UHFFFAOYSA-N 1 0 271.386 0.972 10 0 CCAERO [NH3+]Cc1ccc(F)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000020188814 171053514 /nfs/dbraw/zinc/05/35/14/171053514.db2.gz XRGDFPBPNWQKIN-SNVBAGLBSA-N 1 0 288.344 0.742 10 0 CCAERO C[C@@H]([NH2+]CCc1ccccc1F)C(=O)NC(N)=O ZINC000020310268 171144196 /nfs/dbraw/zinc/14/41/96/171144196.db2.gz LYVFQOHYMKKZDB-MRVPVSSYSA-N 1 0 253.277 0.541 10 0 CCAERO CC[NH+](CC)CCCN[C@@H](C)C(=O)NCCOC ZINC000020316016 171146128 /nfs/dbraw/zinc/14/61/28/171146128.db2.gz FHLOJAOHFABYHY-LBPRGKRZSA-N 1 0 259.394 0.459 10 0 CCAERO COCCNC(=O)[C@@H](C)Oc1ccc(C[NH3+])cc1 ZINC000020386290 171175695 /nfs/dbraw/zinc/17/56/95/171175695.db2.gz MUNZXILSBJUHNW-SNVBAGLBSA-N 1 0 252.314 0.675 10 0 CCAERO COc1ccc(OC[C@@H](C[NH3+])N2CCOCC2)cc1 ZINC000020401042 171181364 /nfs/dbraw/zinc/18/13/64/171181364.db2.gz TWQYSAYCDPMAQU-GFCCVEGCSA-N 1 0 266.341 0.734 10 0 CCAERO COc1ccc(OC[C@H](C[NH3+])N2CCOCC2)cc1 ZINC000020401044 171181475 /nfs/dbraw/zinc/18/14/75/171181475.db2.gz TWQYSAYCDPMAQU-LBPRGKRZSA-N 1 0 266.341 0.734 10 0 CCAERO CN(Cc1cccc(F)c1)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000020434617 171200038 /nfs/dbraw/zinc/20/00/38/171200038.db2.gz CWJTUIFDWOKUMY-RYUDHWBXSA-N 1 0 252.289 0.507 10 0 CCAERO COc1ccc(C[C@H](C[NH3+])C(N)=O)cc1OC(F)F ZINC000020580042 171256996 /nfs/dbraw/zinc/25/69/96/171256996.db2.gz GIYITTKLXUMFIY-MRVPVSSYSA-N 1 0 274.267 0.899 10 0 CCAERO COC[C@@H](C)NS(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000021816526 171332480 /nfs/dbraw/zinc/33/24/80/171332480.db2.gz KPYJDRBFCLPAID-SNVBAGLBSA-N 1 0 272.370 0.600 10 0 CCAERO [NH3+]Cc1ccc(CS(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000022148308 171357557 /nfs/dbraw/zinc/35/75/57/171357557.db2.gz OMYFZPPRRXOESQ-ZDUSSCGKSA-N 1 0 284.381 0.744 10 0 CCAERO C[C@H](C(=O)Nc1cccc(C[NH3+])c1)N1CCOCC1 ZINC000022152545 171359724 /nfs/dbraw/zinc/35/97/24/171359724.db2.gz QZWWDMNMSNOWLJ-LLVKDONJSA-N 1 0 263.341 0.805 10 0 CCAERO NC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2N)C1 ZINC000022212887 171374426 /nfs/dbraw/zinc/37/44/26/171374426.db2.gz IXCDVABQRPWKMO-NSHDSACASA-N 1 0 290.367 0.795 10 0 CCAERO C[C@@H](O)C[C@H](C)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653095011 412215072 /nfs/dbraw/zinc/21/50/72/412215072.db2.gz XVXAQNPPTKVDCP-SGIHWFKDSA-N 1 0 282.306 0.908 10 0 CCAERO CN1CCC[C@H](NC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1=O ZINC000653092068 412215244 /nfs/dbraw/zinc/21/52/44/412215244.db2.gz QOLXCDGPALLXBH-HLTSFMKQSA-N 1 0 293.289 0.121 10 0 CCAERO CCN(CC(=O)N(C)C)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653068994 412207799 /nfs/dbraw/zinc/20/77/99/412207799.db2.gz ZTMBHTNSPPLGKL-RKDXNWHRSA-N 1 0 295.305 0.321 10 0 CCAERO CNC(=O)[C@H](C)CN(C)C(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653102293 412219137 /nfs/dbraw/zinc/21/91/37/412219137.db2.gz UPTIBKMMJJEAHC-IWSPIJDZSA-N 1 0 295.305 0.225 10 0 CCAERO Cc1ccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c(O)c1 ZINC000653138532 412238412 /nfs/dbraw/zinc/23/84/12/412238412.db2.gz AGVNUBULTHMZNK-SKDRFNHKSA-N 1 0 250.298 0.011 10 0 CCAERO O=C(N[C@H]1CCOC1)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000653151378 412243306 /nfs/dbraw/zinc/24/33/06/412243306.db2.gz FANOCUSIKYYQRJ-XLPZGREQSA-N 1 0 252.236 0.289 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(NN)cc1 ZINC000035354623 172145603 /nfs/dbraw/zinc/14/56/03/172145603.db2.gz SEBZZMQNXAPJFO-GFCCVEGCSA-N 1 0 298.412 0.735 10 0 CCAERO COc1cc(N2C[C@H]([NH3+])CC2=O)cc(OC)c1OC ZINC000035679639 172350850 /nfs/dbraw/zinc/35/08/50/172350850.db2.gz PKOIQSFLCYCAHH-MRVPVSSYSA-N 1 0 266.297 0.776 10 0 CCAERO C[C@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1ccncc1 ZINC000035693567 172362312 /nfs/dbraw/zinc/36/23/12/172362312.db2.gz BMWQSAYWMYVCHP-ONGXEEELSA-N 1 0 285.369 0.021 10 0 CCAERO Cc1cnc(C(=O)N2C[C@@H]3C[C@@H]([NH3+])CC[C@@H]3C2)cn1 ZINC000036262043 172554765 /nfs/dbraw/zinc/55/47/65/172554765.db2.gz VIXFRAJWKWNDTK-WOPDTQHZSA-N 1 0 260.341 0.984 10 0 CCAERO CO[C@H]1C[NH2+]C[C@H]1NS(=O)(=O)c1cccc(C)c1 ZINC000036265286 172560150 /nfs/dbraw/zinc/56/01/50/172560150.db2.gz LIJSCWFHPKOWNA-NEPJUHHUSA-N 1 0 270.354 0.260 10 0 CCAERO NC(=O)NC1CC[NH+](C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000659994622 414031138 /nfs/dbraw/zinc/03/11/38/414031138.db2.gz XRCATDYGRQUBSR-ZYHUDNBSSA-N 1 0 255.362 0.670 10 0 CCAERO Cc1ccc(S(=O)(=O)NC2CC[NH+](C)CC2)cc1N ZINC000037267236 173077380 /nfs/dbraw/zinc/07/73/80/173077380.db2.gz UCJVJASYGBADBN-UHFFFAOYSA-N 1 0 283.397 0.950 10 0 CCAERO C[NH2+]Cc1cc2ccccc2nc1N(C)CC(N)=O ZINC000037268952 173079729 /nfs/dbraw/zinc/07/97/29/173079729.db2.gz WJCQOCQTBSSBDV-UHFFFAOYSA-N 1 0 258.325 0.876 10 0 CCAERO C[N@@H+]1CC[C@H]2OCCN(C(=O)Cc3ccc(O)cc3)[C@@H]2C1 ZINC000285702313 196372036 /nfs/dbraw/zinc/37/20/36/196372036.db2.gz IVDYTTADQMTGFI-HUUCEWRRSA-N 1 0 290.363 0.866 10 0 CCAERO O=c1c2ccccc2cnn1C[C@@H](O)C[NH2+]C1CC1 ZINC000037372106 173161077 /nfs/dbraw/zinc/16/10/77/173161077.db2.gz FSCQDNDJICAHGX-LBPRGKRZSA-N 1 0 259.309 0.509 10 0 CCAERO C[C@H]([NH2+]CCCN1CCOCC1)C(=O)NC(C)(C)C ZINC000037388547 173171863 /nfs/dbraw/zinc/17/18/63/173171863.db2.gz NLEGNYVAWVIAFY-LBPRGKRZSA-N 1 0 271.405 0.602 10 0 CCAERO COCc1cc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)no1 ZINC000285778680 196396215 /nfs/dbraw/zinc/39/62/15/196396215.db2.gz MYGIYSWWNYQIMO-QWHCGFSZSA-N 1 0 295.339 0.366 10 0 CCAERO CCCN(CC(=O)NC(=O)OC)C1CC[NH2+]CC1 ZINC000037539155 173259750 /nfs/dbraw/zinc/25/97/50/173259750.db2.gz AHAPXTHCLSGYHR-UHFFFAOYSA-N 1 0 257.334 0.333 10 0 CCAERO NC(=O)CN(C[C@H]1CCCCO1)C1CC[NH2+]CC1 ZINC000037543118 173263837 /nfs/dbraw/zinc/26/38/37/173263837.db2.gz CDETVVOICHKLRL-GFCCVEGCSA-N 1 0 255.362 0.095 10 0 CCAERO CO[C@@H]1C[C@@H](CO)[N@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000660507615 414366656 /nfs/dbraw/zinc/36/66/56/414366656.db2.gz ZQYVKXJAHXJAKC-IVZWLZJFSA-N 1 0 251.273 0.492 10 0 CCAERO CO[C@H]1C[C@@H](C[N@H+](C)C[C@]2(O)CCCOC2)N(C)C1 ZINC000660512194 414371495 /nfs/dbraw/zinc/37/14/95/414371495.db2.gz NXIPCPIXSPFGGR-MELADBBJSA-N 1 0 272.389 0.179 10 0 CCAERO C[C@H](CN1CCCC1=O)NC(=O)C1CCC([NH3+])CC1 ZINC000037769331 173700548 /nfs/dbraw/zinc/70/05/48/173700548.db2.gz WTPMPOPHYJOEAW-VOMCLLRMSA-N 1 0 267.373 0.631 10 0 CCAERO CN(C)C(=O)C1CCN(C(=O)C[NH2+]CC2CC2)CC1 ZINC000037810416 173754137 /nfs/dbraw/zinc/75/41/37/173754137.db2.gz BEFVOCCEAPLFPP-UHFFFAOYSA-N 1 0 267.373 0.313 10 0 CCAERO C[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)CCO)cc1 ZINC000037899658 173828319 /nfs/dbraw/zinc/82/83/19/173828319.db2.gz WYBZPUJSEIUCGL-SNVBAGLBSA-N 1 0 272.370 0.580 10 0 CCAERO CC[C@@H]([NH2+]C)c1cccc(S(=O)(=O)N(C)CCO)c1 ZINC000037899672 173828336 /nfs/dbraw/zinc/82/83/36/173828336.db2.gz XROPJUDSHBHRGP-CYBMUJFWSA-N 1 0 286.397 0.970 10 0 CCAERO COCCOCCOCCC[N@@H+]1C[C@H](O)CC[C@@H]1C ZINC000660833795 414497062 /nfs/dbraw/zinc/49/70/62/414497062.db2.gz VWHRHXNFIJECPK-UONOGXRCSA-N 1 0 275.389 0.901 10 0 CCAERO CN(CC(=O)N1CC[NH2+]CC1)Cc1nc2ccccc2o1 ZINC000038031343 174025042 /nfs/dbraw/zinc/02/50/42/174025042.db2.gz KVFQSDAQQPBWQR-UHFFFAOYSA-N 1 0 288.351 0.691 10 0 CCAERO CCN(CCC[NH2+]CCCC(=O)OC)S(C)(=O)=O ZINC000038035706 174034099 /nfs/dbraw/zinc/03/40/99/174034099.db2.gz NDHOSHAJJHDFKW-UHFFFAOYSA-N 1 0 280.390 0.201 10 0 CCAERO C[C@H](CNC(=O)C1=NNC(=O)CC1)C[NH+]1CCCCC1 ZINC000038042369 174045276 /nfs/dbraw/zinc/04/52/76/174045276.db2.gz LPWZSTBDHLMRNX-LLVKDONJSA-N 1 0 280.372 0.491 10 0 CCAERO CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000038045780 174053716 /nfs/dbraw/zinc/05/37/16/174053716.db2.gz AFXRTBNSCSGVHG-ZJUUUORDSA-N 1 0 257.334 0.237 10 0 CCAERO Cn1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000038049961 174061738 /nfs/dbraw/zinc/06/17/38/174061738.db2.gz BTRFVBPNWSJCST-GHMZBOCLSA-N 1 0 257.359 0.573 10 0 CCAERO Oc1ccc2c(c1)OC[C@@H]2[NH2+]C[C@@H]1COCCO1 ZINC000038060496 174070674 /nfs/dbraw/zinc/07/06/74/174070674.db2.gz IGPZTWVVHFIBFW-PWSUYJOCSA-N 1 0 251.282 0.831 10 0 CCAERO CO[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000038083593 174093766 /nfs/dbraw/zinc/09/37/66/174093766.db2.gz FAUJNJVNEADAAK-TUAOUCFPSA-N 1 0 261.387 0.968 10 0 CCAERO Cc1nc(C)c([C@@H](C)[NH2+]C[C@@H](C)N(C)C)c(=O)[nH]1 ZINC000038087517 174099763 /nfs/dbraw/zinc/09/97/63/174099763.db2.gz YXGWSWMEZPDRES-RKDXNWHRSA-N 1 0 252.362 0.987 10 0 CCAERO C[C@H](CNC(=O)[C@H]1CNc2ccccc2O1)[NH+](C)C ZINC000038089299 174102728 /nfs/dbraw/zinc/10/27/28/174102728.db2.gz AUCRNXMYCYXSBZ-ZWNOBZJWSA-N 1 0 263.341 0.926 10 0 CCAERO NC(=O)C1CCC([NH2+][C@H]2CCCCNC2=O)CC1 ZINC000038092010 174105738 /nfs/dbraw/zinc/10/57/38/174105738.db2.gz XOVTVPKUEIPSNR-ILDUYXDCSA-N 1 0 253.346 0.289 10 0 CCAERO FC1(F)C[C@@H]1OCCN1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000662285459 414706152 /nfs/dbraw/zinc/70/61/52/414706152.db2.gz KBQUURRYHUEGAE-AXFHLTTASA-N 1 0 262.300 0.473 10 0 CCAERO CC[C@@H](C)CCNC(=O)[C@H]([NH3+])CCS(C)(=O)=O ZINC000662627262 414734515 /nfs/dbraw/zinc/73/45/15/414734515.db2.gz PFAFGQGSTUEFTJ-NXEZZACHSA-N 1 0 264.391 0.301 10 0 CCAERO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC1(S(=O)(=O)CC)CC1 ZINC000662708680 414744385 /nfs/dbraw/zinc/74/43/85/414744385.db2.gz YPUCEUXSZPGAKG-NXEZZACHSA-N 1 0 276.402 0.443 10 0 CCAERO C[C@@H]1CN(C(=O)c2nn(C)cc2Br)C[C@@H]1[NH3+] ZINC000662812247 414813226 /nfs/dbraw/zinc/81/32/26/414813226.db2.gz GOOWMJIYQWBAGV-SVRRBLITSA-N 1 0 287.161 0.602 10 0 CCAERO C[C@H]1CN(C(=O)c2nn(C)cc2Br)C[C@@H]1[NH3+] ZINC000662812249 414813355 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ZINC000663271662 415032780 /nfs/dbraw/zinc/03/27/80/415032780.db2.gz FAEFZHHMUWEBAN-JQWIXIFHSA-N 1 0 250.346 0.982 10 0 CCAERO CCc1nsc(NCc2nc(C[NH3+])cc(=O)[nH]2)n1 ZINC000663276878 415033390 /nfs/dbraw/zinc/03/33/90/415033390.db2.gz DZFHUSLDGUANHL-UHFFFAOYSA-N 1 0 266.330 0.667 10 0 CCAERO CNC(=O)[C@@H]1CCCCN1C(=O)C1(C[NH3+])CCCC1 ZINC000044763976 175247948 /nfs/dbraw/zinc/24/79/48/175247948.db2.gz WCPFGRJOXLWHPM-NSHDSACASA-N 1 0 267.373 0.633 10 0 CCAERO CC(C)N(C)S(=O)(=O)N(CC[NH3+])C1CCCC1 ZINC000070975364 176017887 /nfs/dbraw/zinc/01/78/87/176017887.db2.gz VOJMSAZQOHKELA-UHFFFAOYSA-N 1 0 263.407 0.775 10 0 CCAERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cc(N)cn1C ZINC000071187622 176060664 /nfs/dbraw/zinc/06/06/64/176060664.db2.gz GLFJTIOFWSITIF-SNVBAGLBSA-N 1 0 250.346 0.631 10 0 CCAERO CCc1[nH]nc(C(=O)N(C)C[C@H]2CC[N@H+](C)C2)c1N ZINC000071187643 176060690 /nfs/dbraw/zinc/06/06/90/176060690.db2.gz WVLRRFDBKRFPEL-VIFPVBQESA-N 1 0 265.361 0.578 10 0 CCAERO Cc1ncsc1CNS(=O)(=O)CC[NH2+]C(C)C 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CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000136358350 544638692 /nfs/dbraw/zinc/63/86/92/544638692.db2.gz LYGXMJVKBIHKNA-CHWSQXEVSA-N 1 0 291.399 0.935 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000136372404 544638823 /nfs/dbraw/zinc/63/88/23/544638823.db2.gz MDJFVLQLVXQJPT-GFCCVEGCSA-N 1 0 293.371 0.474 10 0 CCAERO CC(C)[C@H]([NH3+])CC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000136374798 544639011 /nfs/dbraw/zinc/63/90/11/544639011.db2.gz GEGBUUQQFXMXHL-OLZOCXBDSA-N 1 0 297.399 0.210 10 0 CCAERO CCCn1nccc1C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000160173024 544695997 /nfs/dbraw/zinc/69/59/97/544695997.db2.gz KMYSKNPBLWQLMP-CYBMUJFWSA-N 1 0 252.362 0.713 10 0 CCAERO CNC(=O)[C@H]([NH2+]CC(=O)NCc1ccccc1C)C(C)C ZINC000183662563 544769441 /nfs/dbraw/zinc/76/94/41/544769441.db2.gz VSXHLSPQHPNEOP-OAHLLOKOSA-N 1 0 291.395 0.971 10 0 CCAERO CNC(=O)[C@H]([NH2+]CC(=O)Nc1ccccc1OC)C(C)C ZINC000183644319 544770298 /nfs/dbraw/zinc/77/02/98/544770298.db2.gz TUUGEWLRIOFUEF-CQSZACIVSA-N 1 0 293.367 0.994 10 0 CCAERO Cc1cc(CS(=O)(=O)N[C@H]2CCC[NH2+][C@@H]2C)no1 ZINC000229594924 544849063 /nfs/dbraw/zinc/84/90/63/544849063.db2.gz GTMUTWIIIRSADO-KOLCDFICSA-N 1 0 273.358 0.543 10 0 CCAERO CCc1cc(NC(=O)C2(C[NH3+])CCOCC2)n[nH]1 ZINC000228334918 544843964 /nfs/dbraw/zinc/84/39/64/544843964.db2.gz RLSBXSIIQYVPJB-UHFFFAOYSA-N 1 0 252.318 0.666 10 0 CCAERO [NH3+]CCN(Cc1ccccc1)C(=O)[C@H]1CNC(=O)C1 ZINC000231786803 544860208 /nfs/dbraw/zinc/86/02/08/544860208.db2.gz WZFRCHUOEYESMW-GFCCVEGCSA-N 1 0 261.325 0.110 10 0 CCAERO COc1nc(NC2C[NH2+]C2)ncc1Br ZINC000235034616 544874020 /nfs/dbraw/zinc/87/40/20/544874020.db2.gz IUUVFLOVHSXADQ-UHFFFAOYSA-N 1 0 259.107 0.631 10 0 CCAERO C[C@@H](NC(=O)c1ccco1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000237575717 544896898 /nfs/dbraw/zinc/89/68/98/544896898.db2.gz MRURKGYDUWMIQL-GHMZBOCLSA-N 1 0 279.340 0.656 10 0 CCAERO CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000250419846 544922860 /nfs/dbraw/zinc/92/28/60/544922860.db2.gz YWDZPOVINSCUJJ-AXFHLTTASA-N 1 0 253.346 0.098 10 0 CCAERO C[C@H](Cn1ccnc1)NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000251567280 544927661 /nfs/dbraw/zinc/92/76/61/544927661.db2.gz KXOHROAZXTUQMW-WOPDTQHZSA-N 1 0 250.346 0.763 10 0 CCAERO CC(=O)N[C@@H]1CCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000252800825 544931718 /nfs/dbraw/zinc/93/17/18/544931718.db2.gz YMWQAWZUSMTTPL-TUAOUCFPSA-N 1 0 253.346 0.098 10 0 CCAERO C[C@H]1CCCN(c2cnn(C)c(=O)c2Cl)[C@H]1C[NH3+] ZINC000253163752 544932944 /nfs/dbraw/zinc/93/29/44/544932944.db2.gz XGQPTGWKQDMJEW-IUCAKERBSA-N 1 0 270.764 0.997 10 0 CCAERO [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCc2cncnc2C1 ZINC000261670577 544937149 /nfs/dbraw/zinc/93/71/49/544937149.db2.gz GCFNLGAHVRZMKZ-CMPLNLGQSA-N 1 0 260.341 0.879 10 0 CCAERO Cc1ccc(C(=O)CCC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000262085963 544938890 /nfs/dbraw/zinc/93/88/90/544938890.db2.gz CQJFTMHYLDKZHS-ZFWWWQNUSA-N 1 0 290.363 0.654 10 0 CCAERO CSc1ccsc1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000262144207 544942074 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RERUBTZGEQBHLD-UHFFFAOYSA-N 1 0 278.341 0.713 10 0 CCAERO COCCOCCNC(=O)[C@@H]1CCC[C@H]([NH3+])[C@H]1C ZINC000055137850 524007697 /nfs/dbraw/zinc/00/76/97/524007697.db2.gz KARXHLLWEBLYSF-TUAOUCFPSA-N 1 0 258.362 0.529 10 0 CCAERO C[C@@H]1CCC[NH2+][C@H]1C(=O)NCCCN1CCOCC1 ZINC000051792506 524263280 /nfs/dbraw/zinc/26/32/80/524263280.db2.gz LDVIOBDMXPHETH-CHWSQXEVSA-N 1 0 269.389 0.213 10 0 CCAERO C[C@@H](CCc1ccco1)[NH2+][C@H]1CS(=O)(=O)C[C@@H]1O ZINC000049566424 524546890 /nfs/dbraw/zinc/54/68/90/524546890.db2.gz FJVFNGCVNOKMGF-DLOVCJGASA-N 1 0 273.354 0.348 10 0 CCAERO C[C@@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)NCCN1CCOCC1 ZINC000055123624 524601384 /nfs/dbraw/zinc/60/13/84/524601384.db2.gz NUIFJASNPXDIDK-UPJWGTAASA-N 1 0 269.389 0.198 10 0 CCAERO C[C@@H]1CC[C@H](C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)O1 ZINC000157057074 524632682 /nfs/dbraw/zinc/63/26/82/524632682.db2.gz NZOKKDGTIIDISL-MGPQQGTHSA-N 1 0 282.384 0.735 10 0 CCAERO Cc1cccc(NS(=O)(=O)[C@H]2CCC[NH2+]C2)n1 ZINC000049641450 524690570 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298.427 0.963 10 0 CCAERO C[NH2+]C[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)nc1 ZINC000092133568 536448454 /nfs/dbraw/zinc/44/84/54/536448454.db2.gz HKQUTBUHOSIJQT-LLVKDONJSA-N 1 0 278.356 0.712 10 0 CCAERO O=C(CC[C@@H]1CCCC[NH2+]1)N[C@@H]1CCCCNC1=O ZINC000050944056 526548534 /nfs/dbraw/zinc/54/85/34/526548534.db2.gz KGKALRZPJCRHBT-NWDGAFQWSA-N 1 0 267.373 0.694 10 0 CCAERO O=C(C[N@H+]1CCCC[C@H](CO)C1)NCc1ccco1 ZINC000374049783 526743395 /nfs/dbraw/zinc/74/33/95/526743395.db2.gz LGJFWTUCPZJGBM-LBPRGKRZSA-N 1 0 266.341 0.990 10 0 CCAERO O=C(C[NH2+][C@@H]1CCN2CCC[C@H]12)N1CCCCC1 ZINC000049568363 526888828 /nfs/dbraw/zinc/88/88/28/526888828.db2.gz PHAANBFHLJXDBW-CHWSQXEVSA-N 1 0 251.374 0.825 10 0 CCAERO O=S(=O)(CCN1CC[NH2+]CC1)NC1CCCCC1 ZINC000049631828 527174496 /nfs/dbraw/zinc/17/44/96/527174496.db2.gz RDHMTSUALDCCDO-UHFFFAOYSA-N 1 0 275.418 0.144 10 0 CCAERO O=S(=O)(C[C@@H]1CCCC[NH2+]1)Nc1cccnc1 ZINC000049630574 527181098 /nfs/dbraw/zinc/18/10/98/527181098.db2.gz IFILKNYZLSHFSL-NSHDSACASA-N 1 0 255.343 0.965 10 0 CCAERO O=S(=O)(C[C@@H]1CCCC[NH2+]1)NC1CCOCC1 ZINC000049631160 527182144 /nfs/dbraw/zinc/18/21/44/527182144.db2.gz GWWAIMRBHHDNPJ-NSHDSACASA-N 1 0 262.375 0.227 10 0 CCAERO O=S(=O)(C[C@H]1CCC[NH2+]C1)Nc1ccncc1 ZINC000049632204 527187626 /nfs/dbraw/zinc/18/76/26/527187626.db2.gz BEFJYOYZAQLEGU-JTQLQIEISA-N 1 0 255.343 0.823 10 0 CCAERO O=C(Cc1cccc(F)c1F)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262132987 527266605 /nfs/dbraw/zinc/26/66/05/527266605.db2.gz GONZTDZUNZXWAX-KOLCDFICSA-N 1 0 270.279 0.204 10 0 CCAERO [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC1CCS(=O)(=O)CC1 ZINC000055129754 527344217 /nfs/dbraw/zinc/34/42/17/527344217.db2.gz NUWNZVHSLQAFGJ-CMPLNLGQSA-N 1 0 288.413 0.587 10 0 CCAERO [NH3+][C@H](Cn1ncccc1=O)c1ccc2c(c1)OCO2 ZINC000061402802 527390707 /nfs/dbraw/zinc/39/07/07/527390707.db2.gz GTQRXYSGWKXBFS-SNVBAGLBSA-N 1 0 259.265 0.672 10 0 CCAERO Cn1ccnc(N2CCC[C@H](C[NH2+]C3CC3)C2)c1=O ZINC000061752661 527413159 /nfs/dbraw/zinc/41/31/59/527413159.db2.gz PPRALVJAPKBUJM-LLVKDONJSA-N 1 0 262.357 0.749 10 0 CCAERO O=c1n(CCCC[NH2+]C2CC2)nc2n1CCCC2 ZINC000061817876 527494039 /nfs/dbraw/zinc/49/40/39/527494039.db2.gz GASKNMLYOWOMQO-UHFFFAOYSA-N 1 0 250.346 0.913 10 0 CCAERO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]C2CC(CO)C2)C1 ZINC000668780606 545190550 /nfs/dbraw/zinc/19/05/50/545190550.db2.gz UMTQULXZPDEBKC-POSLAHMBSA-N 1 0 261.387 0.703 10 0 CCAERO CCC(CC)[C@@H](CNC(=O)C1C[NH2+]C1)N1CCOCC1 ZINC000262223662 535103536 /nfs/dbraw/zinc/10/35/36/535103536.db2.gz KXBKTDKCQLYBAZ-CQSZACIVSA-N 1 0 283.416 0.459 10 0 CCAERO CCOc1cccc(CNC[C@@H]2C[NH2+]C[C@H]2O)n1 ZINC000263270703 535458614 /nfs/dbraw/zinc/45/86/14/535458614.db2.gz SDWUHCUVWKFZHM-ZYHUDNBSSA-N 1 0 251.330 0.150 10 0 CCAERO CCC[C@@](C)([NH3+])C(=O)NCCNC(=O)c1ccc(O)cc1 ZINC000262696527 535527849 /nfs/dbraw/zinc/52/78/49/535527849.db2.gz DWZTYMPOFVKGKQ-OAHLLOKOSA-N 1 0 293.367 0.756 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)NC(C)C ZINC000408146506 535593317 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251.355 0.994 10 0 CCAERO CO[C@H]1C[C@@H](CN(C)C(=O)CCc2nc(C)no2)[N@H+](C)C1 ZINC000346711372 137301453 /nfs/dbraw/zinc/30/14/53/137301453.db2.gz YSIALNMRLFWWCJ-RYUDHWBXSA-N 1 0 296.371 0.488 10 0 CCAERO O=C(NCc1cscn1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000051751041 348494165 /nfs/dbraw/zinc/49/41/65/348494165.db2.gz LOPJOEQKEHTEKN-LBPRGKRZSA-N 1 0 298.412 0.789 10 0 CCAERO CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC(NC(C)=O)CC2)C1 ZINC000051711620 348493085 /nfs/dbraw/zinc/49/30/85/348493085.db2.gz ZIICVLTVYSFYLG-CQSZACIVSA-N 1 0 296.415 0.781 10 0 CCAERO C[NH2+][C@H](C)C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000054073346 348540663 /nfs/dbraw/zinc/54/06/63/348540663.db2.gz POJMUWLVCFGVCI-HTQZYQBOSA-N 1 0 263.297 0.952 10 0 CCAERO NS(=O)(=O)c1ccc(NC(=O)C[C@H]2CCC[NH2+]C2)cc1 ZINC000054290001 348547978 /nfs/dbraw/zinc/54/79/78/348547978.db2.gz JQHQVDNQBRJXCF-SNVBAGLBSA-N 1 0 297.380 0.662 10 0 CCAERO O=C(C[C@@H]1CCC[NH2+]C1)NCCCN1CCOCC1 ZINC000054290699 348548079 /nfs/dbraw/zinc/54/80/79/348548079.db2.gz 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ZINC000127454806 350169827 /nfs/dbraw/zinc/16/98/27/350169827.db2.gz BGCIMULTYUWDJF-VIFPVBQESA-N 1 0 268.342 0.131 10 0 CCAERO CSC[C@H]1CCC[N@@H+]1C[C@H](O)CN1CCCC1=O ZINC000128170988 350186394 /nfs/dbraw/zinc/18/63/94/350186394.db2.gz DACQMUDGJKNCQI-NEPJUHHUSA-N 1 0 272.414 0.797 10 0 CCAERO CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 ZINC000129611103 350218457 /nfs/dbraw/zinc/21/84/57/350218457.db2.gz ZRSDBCJNOSDEEL-WOPDTQHZSA-N 1 0 282.388 0.389 10 0 CCAERO C[NH2+][C@H]1CCN(CN2C(=O)c3ccccc3C2=O)C1 ZINC000129072195 350204679 /nfs/dbraw/zinc/20/46/79/350204679.db2.gz ORCORLGKKAHUSW-JTQLQIEISA-N 1 0 259.309 0.534 10 0 CCAERO COc1c(C[NH2+]CC[C@H](C)[S@](C)=O)c(C)nn1C ZINC000129387004 350212766 /nfs/dbraw/zinc/21/27/66/350212766.db2.gz WICDYXMMWJYTFY-NIVTXAMTSA-N 1 0 273.402 0.984 10 0 CCAERO CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CN(C)CCO2)C1 ZINC000105180068 186045112 /nfs/dbraw/zinc/04/51/12/186045112.db2.gz ZMPWOGFEQNMRAA-UONOGXRCSA-N 1 0 298.431 0.348 10 0 CCAERO CCNC(=O)CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000132246403 350301719 /nfs/dbraw/zinc/30/17/19/350301719.db2.gz NVFQGROSEPWADK-QWRGUYRKSA-N 1 0 270.377 0.150 10 0 CCAERO OCCOCC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000132709731 350314762 /nfs/dbraw/zinc/31/47/62/350314762.db2.gz PRPZDXLJZJMMPV-ZDUSSCGKSA-N 1 0 265.357 0.824 10 0 CCAERO CNC(=O)c1ccc(N(C)CC[C@H]([NH3+])C(C)C)nn1 ZINC000133580308 350339487 /nfs/dbraw/zinc/33/94/87/350339487.db2.gz WIHOVFXGWQFERP-JTQLQIEISA-N 1 0 265.361 0.646 10 0 CCAERO CCOC(=O)c1cnc(N(C)[C@@H]2CC[NH2+]C2)nc1C ZINC000134315486 350360200 /nfs/dbraw/zinc/36/02/00/350360200.db2.gz LETKOQWUGNUJAK-SNVBAGLBSA-N 1 0 264.329 0.760 10 0 CCAERO CCOC(=O)c1cnc(NC[C@H]2C[NH2+]CCO2)nc1C ZINC000134319416 350360826 /nfs/dbraw/zinc/36/08/26/350360826.db2.gz DWLRNSZQXONYRG-SNVBAGLBSA-N 1 0 280.328 0.362 10 0 CCAERO C[C@@H]1OCC[C@@H]1[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC000135363411 350393009 /nfs/dbraw/zinc/39/30/09/350393009.db2.gz QABNBLVREVSZFQ-JQWIXIFHSA-N 1 0 255.362 0.899 10 0 CCAERO CC[C@@H]1CN(CC(=O)N(C)C2CC2)CC[N@@H+]1C[C@@H](C)O ZINC000105827750 186074110 /nfs/dbraw/zinc/07/41/10/186074110.db2.gz RYCXLXLHFUVTRG-CHWSQXEVSA-N 1 0 283.416 0.384 10 0 CCAERO CCCNC(=O)[C@H](C)N1CC[N@H+](C[C@@H](C)O)[C@H](CC)C1 ZINC000105826438 186074164 /nfs/dbraw/zinc/07/41/64/186074164.db2.gz VUZCGKRRFKWMAF-HZSPNIEDSA-N 1 0 285.432 0.678 10 0 CCAERO Cc1nn(C)c(C)c1CN1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000105824686 186074187 /nfs/dbraw/zinc/07/41/87/186074187.db2.gz WGBMPIBUJRXTSD-VXGBXAGGSA-N 1 0 280.416 0.924 10 0 CCAERO CC[C@@H]1CN(C[C@@H]2CCCO2)CC[N@@H+]1C[C@@H](C)O ZINC000105826673 186074652 /nfs/dbraw/zinc/07/46/52/186074652.db2.gz DYERTGZYWAULPP-MCIONIFRSA-N 1 0 256.390 0.942 10 0 CCAERO COC(C[N@@H+]1CCCN(Cc2cnn(C)c2)CC1)OC ZINC000136761891 350428470 /nfs/dbraw/zinc/42/84/70/350428470.db2.gz RCTCEHUBJNINHC-UHFFFAOYSA-N 1 0 282.388 0.547 10 0 CCAERO CC(C)OC[C@H](O)C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000105902014 186087458 /nfs/dbraw/zinc/08/74/58/186087458.db2.gz YSRPHLRJKFERMZ-CQSZACIVSA-N 1 0 294.399 0.775 10 0 CCAERO COC(=O)CC[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000105909484 186089792 /nfs/dbraw/zinc/08/97/92/186089792.db2.gz KDMIBPFEEHUUTI-UHFFFAOYSA-N 1 0 278.356 0.860 10 0 CCAERO CC(C)[C@@H](C)NC(=O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000105927869 186091754 /nfs/dbraw/zinc/09/17/54/186091754.db2.gz HDLAHJUDPPGFOM-CHWSQXEVSA-N 1 0 271.405 0.410 10 0 CCAERO C[C@@H]1CCCC[C@H]1NC(=O)CN1CCO[C@H](C[NH+](C)C)C1 ZINC000105927276 186092822 /nfs/dbraw/zinc/09/28/22/186092822.db2.gz FQFYGCXBUUSQNQ-RBSFLKMASA-N 1 0 297.443 0.944 10 0 CCAERO CC[C@H](O)C[NH+]1CCN(C[C@H](O)COC(C)(C)C)CC1 ZINC000106387006 186113058 /nfs/dbraw/zinc/11/30/58/186113058.db2.gz HUANZFZUVIDTKE-KBPBESRZSA-N 1 0 288.432 0.551 10 0 CCAERO Cn1nc(I)cc1C1C[NH2+]C1 ZINC000148081172 350472089 /nfs/dbraw/zinc/47/20/89/350472089.db2.gz CIEHSGYSIFYITJ-UHFFFAOYSA-N 1 0 263.082 0.712 10 0 CCAERO CCNC(=O)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000151099873 350492769 /nfs/dbraw/zinc/49/27/69/350492769.db2.gz CQZVPKAGIVTPAC-LBPRGKRZSA-N 1 0 262.357 0.952 10 0 CCAERO COC(=O)[C@H](NC(=O)OCc1ccccc1)C1C[NH2+]C1 ZINC000149839445 350478574 /nfs/dbraw/zinc/47/85/74/350478574.db2.gz NWHPQLLQUOQYLQ-GFCCVEGCSA-N 1 0 278.308 0.674 10 0 CCAERO O=C(C[C@H]1COC(=O)C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000152732410 350539443 /nfs/dbraw/zinc/53/94/43/350539443.db2.gz MCNGMTBQJJENLM-VXGBXAGGSA-N 1 0 266.341 0.636 10 0 CCAERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCNC(=O)[C@H]1C ZINC000152390807 350526489 /nfs/dbraw/zinc/52/64/89/350526489.db2.gz MVOXLOALMBQEQL-CHWSQXEVSA-N 1 0 296.415 0.637 10 0 CCAERO O=C(CC[N@@H+]1CC[C@@H]2OCCC[C@H]2C1)N1CCOCC1 ZINC000152970733 350546968 /nfs/dbraw/zinc/54/69/68/350546968.db2.gz PKSDRSAPQMNCLM-KBPBESRZSA-N 1 0 282.384 0.736 10 0 CCAERO COc1ccc(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c(OC)c1 ZINC000109554925 186262567 /nfs/dbraw/zinc/26/25/67/186262567.db2.gz LLOVDYOGODMVIF-PWSUYJOCSA-N 1 0 280.324 0.043 10 0 CCAERO 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0.960 10 0 CCAERO CCC[C@H](C(=O)NC[C@H](C)CN1CCOCC1)[NH+](C)C ZINC000162234223 350739135 /nfs/dbraw/zinc/73/91/35/350739135.db2.gz XBRVHOFCWWIHMY-UONOGXRCSA-N 1 0 285.432 0.801 10 0 CCAERO COC[C@@H]([NH3+])C(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000167816290 350814402 /nfs/dbraw/zinc/81/44/02/350814402.db2.gz BIKNBPOXAKDOQL-LLVKDONJSA-N 1 0 260.297 0.989 10 0 CCAERO COC[C@H]([NH3+])C(=O)N1CCN(Cc2ccsc2)CC1 ZINC000167845932 350815789 /nfs/dbraw/zinc/81/57/89/350815789.db2.gz ZIKQDDVLSJDICK-LBPRGKRZSA-N 1 0 283.397 0.366 10 0 CCAERO C[C@H](C[S@](C)=O)[NH2+]C[C@H](O)COCc1ccco1 ZINC000168909954 350833286 /nfs/dbraw/zinc/83/32/86/350833286.db2.gz SVKBXYDBNYLRTL-LIBAHTEVSA-N 1 0 275.370 0.514 10 0 CCAERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccccc2OCC(N)=O)C1 ZINC000170857746 350867631 /nfs/dbraw/zinc/86/76/31/350867631.db2.gz AFPANZLTXNZJFX-LLVKDONJSA-N 1 0 291.351 0.327 10 0 CCAERO COC(=O)CCCNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170862528 350868506 /nfs/dbraw/zinc/86/85/06/350868506.db2.gz 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O=C(CN1CC[N@@H+]2CCCC[C@H]2C1)NCC1CC1 ZINC000172804098 351011904 /nfs/dbraw/zinc/01/19/04/351011904.db2.gz PZKBYNIPHPXIPS-ZDUSSCGKSA-N 1 0 251.374 0.683 10 0 CCAERO CC[N@@H+]1CCC[C@@H]1CN(C)CCC(=O)NCC(=O)OC ZINC000175338714 351126087 /nfs/dbraw/zinc/12/60/87/351126087.db2.gz NTCWUPWJHCMBNH-GFCCVEGCSA-N 1 0 285.388 0.082 10 0 CCAERO O=C([C@@H]1CSC(=O)N1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000174343657 351080135 /nfs/dbraw/zinc/08/01/35/351080135.db2.gz FCBQOGRIDFYENE-UWVGGRQHSA-N 1 0 269.370 0.508 10 0 CCAERO CC(C)[N@@H+]1CCC[C@H](CNC(=O)CC(=O)N(C)C)C1 ZINC000174364717 351082366 /nfs/dbraw/zinc/08/23/66/351082366.db2.gz UDBWDLHSQPRYLC-GFCCVEGCSA-N 1 0 269.389 0.701 10 0 CCAERO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CC(=O)N(C)C)C1 ZINC000174649252 351097431 /nfs/dbraw/zinc/09/74/31/351097431.db2.gz CGSRARWRJZRPDX-STQMWFEESA-N 1 0 283.416 0.949 10 0 CCAERO CCOCCNC(=O)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000175966683 351152329 /nfs/dbraw/zinc/15/23/29/351152329.db2.gz JLHLMKVJJBBLPL-ZDUSSCGKSA-N 1 0 295.387 0.143 10 0 CCAERO CC[NH+](CC)CCNC(=O)N[C@H]1CCCn2ncnc21 ZINC000176334512 351169041 /nfs/dbraw/zinc/16/90/41/351169041.db2.gz ZCMPAGFXKKICTM-NSHDSACASA-N 1 0 280.376 0.754 10 0 CCAERO CCN(C)S(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000175396102 351128389 /nfs/dbraw/zinc/12/83/89/351128389.db2.gz IKWMEFGHGAKOCS-LLVKDONJSA-N 1 0 263.407 0.599 10 0 CCAERO C[C@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@@H]1N1CCOCC1 ZINC000177226441 351198896 /nfs/dbraw/zinc/19/88/96/351198896.db2.gz NPAVJAZHAHPZAF-ZFWWWQNUSA-N 1 0 295.427 0.555 10 0 CCAERO Cn1cc(NC(=O)C(=O)N2CCC[N@@H+](C3CC3)CC2)cn1 ZINC000177914045 351216439 /nfs/dbraw/zinc/21/64/39/351216439.db2.gz DTAIQBJAUZWYON-UHFFFAOYSA-N 1 0 291.355 0.055 10 0 CCAERO O=C(CN1CC[C@@H]2OCCC[C@@H]2C1)Nc1nncs1 ZINC000178064720 351218006 /nfs/dbraw/zinc/21/80/06/351218006.db2.gz KXEICTMDWCGMCY-ZJUUUORDSA-N 1 0 282.369 0.978 10 0 CCAERO C[S@@](=O)CCC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000179219598 351262302 /nfs/dbraw/zinc/26/23/02/351262302.db2.gz WTVZAUGNQGKFGJ-KPZWWZAWSA-N 1 0 272.414 0.842 10 0 CCAERO CCS(=O)(=O)NCCN(C)[C@H](C)c1cnn(C)c1 ZINC000180436621 351285256 /nfs/dbraw/zinc/28/52/56/351285256.db2.gz UEFXITMVCFYWDB-SNVBAGLBSA-N 1 0 274.390 0.352 10 0 CCAERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)COCCCOC ZINC000181180471 351305714 /nfs/dbraw/zinc/30/57/14/351305714.db2.gz XOOLGCCXHLYTBX-ZDUSSCGKSA-N 1 0 272.389 0.982 10 0 CCAERO C[C@H](CNC(=O)CCc1cncc(F)c1)N1CCOCC1 ZINC000179881942 351277097 /nfs/dbraw/zinc/27/70/97/351277097.db2.gz KEAFQOIBMLXECM-GFCCVEGCSA-N 1 0 295.358 0.990 10 0 CCAERO NC(=O)NC(=O)CC[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183780923 351390238 /nfs/dbraw/zinc/39/02/38/351390238.db2.gz JRIDHFRYBJSSNR-UHFFFAOYSA-N 1 0 291.355 0.179 10 0 CCAERO CC(C)N(CC[NH+](C)C)C(=O)NCC(=O)NCC1CC1 ZINC000183774573 351390660 /nfs/dbraw/zinc/39/06/60/351390660.db2.gz SBZFZJHWPDAURB-UHFFFAOYSA-N 1 0 284.404 0.494 10 0 CCAERO C[NH+](C)[C@@H]1CCCN(C(=O)NCC(=O)NCC2CC2)C1 ZINC000183786739 351391136 /nfs/dbraw/zinc/39/11/36/351391136.db2.gz 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CCC1(CO)CCN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC1 ZINC000189316102 351668559 /nfs/dbraw/zinc/66/85/59/351668559.db2.gz NFOPRILEQCRZNP-NWDGAFQWSA-N 1 0 270.373 0.374 10 0 CCAERO O=C(NOC[C@@H]1CCOC1)N1CCC[N@@H+](C2CC2)CC1 ZINC000190431760 351721824 /nfs/dbraw/zinc/72/18/24/351721824.db2.gz RHXLVSOBUCAFJJ-GFCCVEGCSA-N 1 0 283.372 0.834 10 0 CCAERO COC(=O)NCCCC(=O)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000190746440 351733511 /nfs/dbraw/zinc/73/35/11/351733511.db2.gz YEYYIICTDKSVIC-NSHDSACASA-N 1 0 283.372 0.866 10 0 CCAERO COCCN1CCC[N@@H+]([C@H]2CCCC[C@@H]2O)CC1=O ZINC000190769556 351733616 /nfs/dbraw/zinc/73/36/16/351733616.db2.gz BYPWAKVMHDMJJQ-STQMWFEESA-N 1 0 270.373 0.471 10 0 CCAERO CC(C)COC[C@@H](O)C[N@@H+]1CCCN(C)C(=O)C1 ZINC000191079304 351745897 /nfs/dbraw/zinc/74/58/97/351745897.db2.gz DHWVVNYZZQOFJQ-LBPRGKRZSA-N 1 0 258.362 0.184 10 0 CCAERO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc([S@@](C)=O)cc2)C1 ZINC000191903718 351778112 /nfs/dbraw/zinc/77/81/12/351778112.db2.gz UWLKHDOHQBUDII-KFHAODIQSA-N 1 0 282.365 0.739 10 0 CCAERO O=S(=O)(CC[NH+]1CCCC1)N[C@@H]1CCCn2ncnc21 ZINC000192025002 351781959 /nfs/dbraw/zinc/78/19/59/351781959.db2.gz QPNKGVPIHMWPDY-LLVKDONJSA-N 1 0 299.400 0.128 10 0 CCAERO [NH3+]CC(=O)N1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000121896492 187003507 /nfs/dbraw/zinc/00/35/07/187003507.db2.gz KWKDZVQIRMUTEY-VHSXEESVSA-N 1 0 270.354 0.358 10 0 CCAERO C[N@H+]1C[C@H]2CN(CC(=O)Nc3nccs3)C[C@H]2C1 ZINC000193622168 351836347 /nfs/dbraw/zinc/83/63/47/351836347.db2.gz DOJXJTALTPULLL-AOOOYVTPSA-N 1 0 266.370 0.575 10 0 CCAERO CC1CC[NH+](CC(=O)N[C@@H]2CCCn3ncnc32)CC1 ZINC000122302167 187025616 /nfs/dbraw/zinc/02/56/16/187025616.db2.gz DEDPUKAEDVVXQC-GFCCVEGCSA-N 1 0 277.372 0.961 10 0 CCAERO NC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@H](Cc2ccccc2)C1 ZINC000193198384 351816333 /nfs/dbraw/zinc/81/63/33/351816333.db2.gz YSNAWJTVTXUNAL-ZIAGYGMSSA-N 1 0 289.379 0.670 10 0 CCAERO C[N@H+]1C[C@H]2CN(CC(=O)NCc3ccc(F)cc3)C[C@H]2C1 ZINC000193658676 351839382 /nfs/dbraw/zinc/83/93/82/351839382.db2.gz 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CC[C@H](C(N)=O)[NH+]1CCC(Nc2nccc(OC)n2)CC1 ZINC000192867547 389056968 /nfs/dbraw/zinc/05/69/68/389056968.db2.gz OXFFSARVEBEQRM-LLVKDONJSA-N 1 0 293.371 0.625 10 0 CCAERO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3C[C@@H]3C(=O)OC)[C@H]2C1 ZINC000355353596 389065266 /nfs/dbraw/zinc/06/52/66/389065266.db2.gz XKJGTTCPTGYWKH-VOAKCMCISA-N 1 0 296.367 0.117 10 0 CCAERO CC[N@H+](CCO)CCNc1ncc(Br)cn1 ZINC000302228835 389066439 /nfs/dbraw/zinc/06/64/39/389066439.db2.gz VVNHBLNTPJVNEQ-UHFFFAOYSA-N 1 0 289.177 0.965 10 0 CCAERO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCCCC(=O)N1 ZINC000193882962 389081796 /nfs/dbraw/zinc/08/17/96/389081796.db2.gz CVKXLKWXOSJNQH-YPMHNXCESA-N 1 0 279.384 0.646 10 0 CCAERO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCCCC(=O)N1 ZINC000193882937 389082244 /nfs/dbraw/zinc/08/22/44/389082244.db2.gz CVKXLKWXOSJNQH-AAEUAGOBSA-N 1 0 279.384 0.646 10 0 CCAERO CC[C@H]1CN(CC(=O)N2CCCCC2)CC[N@@H+]1C[C@@H](C)O ZINC000105825669 389087415 /nfs/dbraw/zinc/08/74/15/389087415.db2.gz 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C[C@@H]([NH3+])[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000133905286 411729620 /nfs/dbraw/zinc/72/96/20/411729620.db2.gz KKYZPYQULBRNEB-AEJSXWLSSA-N 1 0 299.396 0.495 10 0 CCAERO C[C@@H]1CCC[C@H](NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)CC1 ZINC000300561471 411743442 /nfs/dbraw/zinc/74/34/42/411743442.db2.gz BTLYSIFUOVTCBJ-GRYCIOLGSA-N 1 0 290.429 0.833 10 0 CCAERO O=C(COCC(F)(F)F)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404087202 411792223 /nfs/dbraw/zinc/79/22/23/411792223.db2.gz VCBKKXGSJBMIII-BDAKNGLRSA-N 1 0 282.262 0.155 10 0 CCAERO O=C(CC[C@H]1CCC[NH2+]1)NCCCn1ccnn1 ZINC000310920264 411748112 /nfs/dbraw/zinc/74/81/12/411748112.db2.gz FUHMKWUPIGPQGD-LLVKDONJSA-N 1 0 251.334 0.317 10 0 CCAERO COc1cccc(S(=O)(=O)NCC[C@@H](C)[NH3+])c1 ZINC000130746926 411722734 /nfs/dbraw/zinc/72/27/34/411722734.db2.gz KCHBOKDUPHOVCQ-SECBINFHSA-N 1 0 258.343 0.711 10 0 CCAERO C[C@@H](NC(=O)C(C)(C)N1CC[NH2+]CC1)[C@H]1CCCO1 ZINC000131218947 411723469 /nfs/dbraw/zinc/72/34/69/411723469.db2.gz 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263.297 0.389 10 0 CCAERO CCOC(=O)N1CCN(C(=O)[C@H](C)CC[NH3+])CC1 ZINC000076664084 177050216 /nfs/dbraw/zinc/05/02/16/177050216.db2.gz CLLDRUVDAHCNFZ-SNVBAGLBSA-N 1 0 257.334 0.272 10 0 CCAERO CN(Cc1ccccc1)[C@@H](C[NH3+])CN1CCOCC1 ZINC000076678781 177057073 /nfs/dbraw/zinc/05/70/73/177057073.db2.gz MYHPOQBPIODHOB-HNNXBMFYSA-N 1 0 263.385 0.778 10 0 CCAERO CCC[C@H](C[NH3+])CCC(=O)N1CCN(C(C)=O)CC1 ZINC000076707811 177066234 /nfs/dbraw/zinc/06/62/34/177066234.db2.gz CBMFMRPZXREFPW-ZDUSSCGKSA-N 1 0 269.389 0.832 10 0 CCAERO COC(=O)c1cccc(N(CC[NH3+])S(C)(=O)=O)c1 ZINC000076713241 177068554 /nfs/dbraw/zinc/06/85/54/177068554.db2.gz CYZCJBRCJIIFBB-UHFFFAOYSA-N 1 0 272.326 0.198 10 0 CCAERO C[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1nnc2ccccn21 ZINC000235298371 269749777 /nfs/dbraw/zinc/74/97/77/269749777.db2.gz QOUDQOWNZJAUEF-GMTAPVOTSA-N 1 0 273.340 0.762 10 0 CCAERO CS(=O)(=O)c1cnn(C[C@H](C[NH3+])C2CCC2)c1 ZINC000725242163 545873880 /nfs/dbraw/zinc/87/38/80/545873880.db2.gz 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[NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CC[C@H](N2CCOCC2)C1 ZINC000089462260 544514095 /nfs/dbraw/zinc/51/40/95/544514095.db2.gz VHAURKOEOVBXDR-MELADBBJSA-N 1 0 281.400 0.295 10 0 CCAERO CC(C)CN(CC(N)=O)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089457339 544514497 /nfs/dbraw/zinc/51/44/97/544514497.db2.gz RVMLAIUIPFABGB-QWRGUYRKSA-N 1 0 255.362 0.331 10 0 CCAERO CCc1cc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])n(C)n1 ZINC000090125136 544519189 /nfs/dbraw/zinc/51/91/89/544519189.db2.gz OKGHIIKWGOUJTP-ONGXEEELSA-N 1 0 250.346 0.840 10 0 CCAERO NC(=O)CN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)C1CCCC1 ZINC000091542274 544528519 /nfs/dbraw/zinc/52/85/19/544528519.db2.gz MXWUQOINHMBFOB-NXEZZACHSA-N 1 0 253.346 0.370 10 0 CCAERO CC[NH+]1CCC(N(C)C(=O)COCc2nc(C)no2)CC1 ZINC000114327028 544564787 /nfs/dbraw/zinc/56/47/87/544564787.db2.gz MSNWXWFKHKUHBZ-UHFFFAOYSA-N 1 0 296.371 0.837 10 0 CCAERO O=C(COC1CC[NH2+]CC1)N[C@@H]1CCC[C@H](O)C1 ZINC000111757678 544562931 /nfs/dbraw/zinc/56/29/31/544562931.db2.gz AXHCSIBPCKQWGV-MNOVXSKESA-N 1 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FVGOBULZFHNIPE-GFCCVEGCSA-N 1 0 271.405 0.587 10 0 CCAERO CC(C)[C@@H]([NH3+])CC(=O)Nc1ccc(OCC(N)=O)cc1 ZINC000136343343 544639519 /nfs/dbraw/zinc/63/95/19/544639519.db2.gz STDLVFILJTUTLN-LBPRGKRZSA-N 1 0 279.340 0.863 10 0 CCAERO CCN1CCO[C@H](C[NH2+][C@@H](C)CS(=O)(=O)CC)C1 ZINC000165252229 544720945 /nfs/dbraw/zinc/72/09/45/544720945.db2.gz XQPLNMHXWVKZHN-NWDGAFQWSA-N 1 0 278.418 0.120 10 0 CCAERO CCN1CCO[C@@H](C[NH2+]Cc2cnc(N(C)C)n2C)C1 ZINC000165899538 544723227 /nfs/dbraw/zinc/72/32/27/544723227.db2.gz WAAHHKMNYLUCPG-ZDUSSCGKSA-N 1 0 281.404 0.296 10 0 CCAERO CN(CCc1ccccn1)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000168172865 544730249 /nfs/dbraw/zinc/73/02/49/544730249.db2.gz BMHFMADVYNERAV-UHFFFAOYSA-N 1 0 290.411 0.766 10 0 CCAERO CCC[C@@H](C(=O)N1CCC(NC(C)=O)CC1)[NH+](C)C ZINC000161852786 544709303 /nfs/dbraw/zinc/70/93/03/544709303.db2.gz CAIVPQVBTYLNCZ-ZDUSSCGKSA-N 1 0 269.389 0.844 10 0 CCAERO Cc1c(C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)ccn1C ZINC000195282020 544811626 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252.318 0.597 10 0 CCAERO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333827958 545043315 /nfs/dbraw/zinc/04/33/15/545043315.db2.gz IUXZJZFXIGDWQJ-QMVSFRDZSA-N 1 0 283.416 0.334 10 0 CCAERO C[C@H](NC(=O)N1CC[NH2+]C[C@@H]1C)[C@H]1CCCCO1 ZINC000333862885 545043981 /nfs/dbraw/zinc/04/39/81/545043981.db2.gz ZTWVGYGNUCFMFT-SDDRHHMPSA-N 1 0 255.362 0.947 10 0 CCAERO C[C@@H]1C[C@@H](C)C[NH+](CCN2CCO[C@@H](CO)C2)C1 ZINC000318713270 545015798 /nfs/dbraw/zinc/01/57/98/545015798.db2.gz SINVXQUTVOPAGL-MGPQQGTHSA-N 1 0 256.390 0.657 10 0 CCAERO CC1(C)C[C@H]1NC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000333253178 545038929 /nfs/dbraw/zinc/03/89/29/545038929.db2.gz CVNNXIHCQPBDSM-LLVKDONJSA-N 1 0 290.371 0.806 10 0 CCAERO Cn1ncc2c1nc(N[C@@H]1CCC[C@H]([NH3+])C1)nc2N ZINC000333544088 545040073 /nfs/dbraw/zinc/04/00/73/545040073.db2.gz OHDQINSCFOLRQI-JGVFFNPUSA-N 1 0 261.333 0.049 10 0 CCAERO O=C(NC[C@@H]1CCC[C@@H]1O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000333552660 545040177 /nfs/dbraw/zinc/04/01/77/545040177.db2.gz JSRBIOMBXNIEHK-LOWVWBTDSA-N 1 0 293.371 0.093 10 0 CCAERO C[C@@H]1OCC[C@@H]1NC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000333600255 545040545 /nfs/dbraw/zinc/04/05/45/545040545.db2.gz PLCJBRUMNJKPDZ-SVNGYHJRSA-N 1 0 253.346 0.543 10 0 CCAERO CC1CCN(C(=O)NC[C@@](C)(O)C[NH+](C)C)CC1 ZINC000227908538 260051467 /nfs/dbraw/zinc/05/14/67/260051467.db2.gz GXTBKYAXCJHJBX-CYBMUJFWSA-N 1 0 257.378 0.741 10 0 CCAERO CN(CCC[NH3+])S(=O)(=O)CCCC(F)(F)F ZINC000214960715 260107001 /nfs/dbraw/zinc/10/70/01/260107001.db2.gz YUGQQCLSRAJKLC-UHFFFAOYSA-N 1 0 262.297 0.939 10 0 CCAERO C[C@@H]1CC[C@H](C(=O)N2CCO[C@@H](C[NH+](C)C)C2)O1 ZINC000246008710 287723759 /nfs/dbraw/zinc/72/37/59/287723759.db2.gz KQQRNJXHCWFFOZ-GRYCIOLGSA-N 1 0 256.346 0.343 10 0 CCAERO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCc2ncnn2C1 ZINC000246533362 276155101 /nfs/dbraw/zinc/15/51/01/276155101.db2.gz GSTNYXLUQKFFGZ-NWDGAFQWSA-N 1 0 277.372 0.584 10 0 CCAERO CCN1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)C(C)(C)C1=O ZINC000335019975 276191651 /nfs/dbraw/zinc/19/16/51/276191651.db2.gz ZSLUHUZMTYKRCW-WDEREUQCSA-N 1 0 267.373 0.583 10 0 CCAERO CCC[C@H]([NH3+])C(=O)N1CCNC[C@H]1c1cnn(C)c1 ZINC000181409868 276285364 /nfs/dbraw/zinc/28/53/64/276285364.db2.gz RHLUWGOYKIXMQA-RYUDHWBXSA-N 1 0 265.361 0.020 10 0 CCAERO CCOC(=O)c1ccc(N2CCCO[C@@H](C[NH3+])C2)nc1 ZINC000313361003 276299325 /nfs/dbraw/zinc/29/93/25/276299325.db2.gz RYPFARKOQFWDSM-LBPRGKRZSA-N 1 0 279.340 0.812 10 0 CCAERO CCOc1cc(N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)ncn1 ZINC000284462157 276370364 /nfs/dbraw/zinc/37/03/64/276370364.db2.gz FCHXHEAVMCZWMS-RYUDHWBXSA-N 1 0 278.356 0.785 10 0 CCAERO CC(=O)N[C@H](C)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106790896 277052462 /nfs/dbraw/zinc/05/24/62/277052462.db2.gz SHODNSSLVPBSTQ-PWSUYJOCSA-N 1 0 267.373 0.644 10 0 CCAERO C[N@@H+]1CCC[C@H](C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)C1 ZINC000241693984 277073170 /nfs/dbraw/zinc/07/31/70/277073170.db2.gz QJMIVJCWEFJADB-XQQFMLRXSA-N 1 0 279.384 0.598 10 0 CCAERO CC(C)(C)OC(=O)N1CCC(N2CC([C@@H]([NH3+])CO)C2)CC1 ZINC000090410981 277180970 /nfs/dbraw/zinc/18/09/70/277180970.db2.gz GGTBLAXNVIUSMZ-ZDUSSCGKSA-N 1 0 299.415 0.637 10 0 CCAERO CN1C[C@@H](C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)CC1=O ZINC000262004766 277191921 /nfs/dbraw/zinc/19/19/21/277191921.db2.gz NSPDQVZLWVPIQP-UWVGGRQHSA-N 1 0 253.346 0.051 10 0 CCAERO COCCOC[C@H](O)C[N@@H+]1C[C@H]2CCCCN2C[C@H]1C ZINC000300286631 277232757 /nfs/dbraw/zinc/23/27/57/277232757.db2.gz WCPWFUWJWNFNSF-RBSFLKMASA-N 1 0 286.416 0.569 10 0 CCAERO COC(=O)N1CCC(NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000497127177 277333167 /nfs/dbraw/zinc/33/31/67/277333167.db2.gz INNYHKLXUKIKAO-ZYHUDNBSSA-N 1 0 283.372 0.722 10 0 CCAERO COC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000448549004 277345065 /nfs/dbraw/zinc/34/50/65/277345065.db2.gz LBONAWUGLPIQRE-TUAOUCFPSA-N 1 0 268.357 0.929 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CCO[C@H](C2CC2)C1 ZINC000333841998 278049589 /nfs/dbraw/zinc/04/95/89/278049589.db2.gz OKVJNFAKEWZLDX-UHTWSYAYSA-N 1 0 267.373 0.947 10 0 CCAERO CC(=O)N[C@H](C)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000186281381 278165197 /nfs/dbraw/zinc/16/51/97/278165197.db2.gz VVIBVFUKCRPCEY-NWDGAFQWSA-N 1 0 269.389 0.892 10 0 CCAERO CC1(C)CCC[C@H]1[NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000191859929 278247975 /nfs/dbraw/zinc/24/79/75/278247975.db2.gz HJNKNAGUEXVSOL-VXGBXAGGSA-N 1 0 281.400 0.879 10 0 CCAERO CC(C)C(=O)N1CCCN(C(=O)[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000152330936 278679595 /nfs/dbraw/zinc/67/95/95/278679595.db2.gz IRZLUPJHNPBHRK-CHWSQXEVSA-N 1 0 281.400 0.831 10 0 CCAERO CCC[C@@H](C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C)[NH+](C)C ZINC000408050941 278855038 /nfs/dbraw/zinc/85/50/38/278855038.db2.gz GXABDIKUJYEGCH-WOPDTQHZSA-N 1 0 282.388 0.341 10 0 CCAERO C[C@@H]1C[C@@H](C(=O)NC2(C[NH+](C)C)CCC2)CC(=O)N1 ZINC000408068853 278877436 /nfs/dbraw/zinc/87/74/36/278877436.db2.gz YFNYJNXIWSEKRQ-GHMZBOCLSA-N 1 0 267.373 0.502 10 0 CCAERO 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ZINC000262625452 303278723 /nfs/dbraw/zinc/27/87/23/303278723.db2.gz RXMDNODZJSIXBG-AXFHLTTASA-N 1 0 268.361 0.163 10 0 CCAERO O=C(NC1C[NH2+]C1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000335286129 303747985 /nfs/dbraw/zinc/74/79/85/303747985.db2.gz PHDKNLANAHXXDC-MFKMUULPSA-N 1 0 253.346 0.295 10 0 CCAERO O=C(NCc1n[nH]cc1Br)[C@H]1CC[NH2+]C1 ZINC000309912227 328060068 /nfs/dbraw/zinc/06/00/68/328060068.db2.gz NIMJOAPXDJYDTC-LURJTMIESA-N 1 0 273.134 0.398 10 0 CCAERO CC[NH2+][C@H](C)CNc1ncccc1S(C)(=O)=O ZINC000387506732 326875914 /nfs/dbraw/zinc/87/59/14/326875914.db2.gz DOZSAJSKBHDGEM-SECBINFHSA-N 1 0 257.359 0.895 10 0 CCAERO Cc1nc(N2CC[NH2+]CC2)cnc1Br ZINC000095762181 327203151 /nfs/dbraw/zinc/20/31/51/327203151.db2.gz SMAMXLQEGDJNQU-UHFFFAOYSA-N 1 0 257.135 0.957 10 0 CCAERO C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000177599312 335375651 /nfs/dbraw/zinc/37/56/51/335375651.db2.gz OSLKRQQDDDPGEH-ZYHUDNBSSA-N 1 0 280.372 0.095 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1cccc(C(N)=O)c1 ZINC000384230013 336122674 /nfs/dbraw/zinc/12/26/74/336122674.db2.gz GBVNLAMNCXHJQN-GWCFXTLKSA-N 1 0 275.352 0.790 10 0 CCAERO C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)Cc1nnc2n1CCC2 ZINC000384379019 336124186 /nfs/dbraw/zinc/12/41/86/336124186.db2.gz KURHJWLHGYMRGA-GHMZBOCLSA-N 1 0 277.372 0.571 10 0 CCAERO CCN(CCC[NH2+]CCn1cccn1)S(C)(=O)=O ZINC000049314367 521020797 /nfs/dbraw/zinc/02/07/97/521020797.db2.gz AGONOALMYQLRDQ-UHFFFAOYSA-N 1 0 274.390 0.144 10 0 CCAERO CCOC(=O)[C@H](CC[N@@H+]1CCCO[C@H](C)C1)NC ZINC000062533123 521246024 /nfs/dbraw/zinc/24/60/24/521246024.db2.gz HLOQZYTUOJEFHB-NEPJUHHUSA-N 1 0 258.362 0.638 10 0 CCAERO CCN(C[C@H]1CCOC1)C(=O)CN1CCC[NH2+]CC1 ZINC000061272833 521272619 /nfs/dbraw/zinc/27/26/19/521272619.db2.gz SPOUHAOWNMCAKY-CYBMUJFWSA-N 1 0 269.389 0.167 10 0 CCAERO CCCN(CC[C@@H]([NH2+]C)C(N)=O)CC(F)(F)F ZINC000062455839 521669807 /nfs/dbraw/zinc/66/98/07/521669807.db2.gz HIYLXQOSOTUEDQ-MRVPVSSYSA-N 1 0 255.284 0.724 10 0 CCAERO C[NH2+]CCS(=O)(=O)NCCCc1ccccc1 ZINC000049630266 522013679 /nfs/dbraw/zinc/01/36/79/522013679.db2.gz NSOHKQOIJXKBDS-UHFFFAOYSA-N 1 0 256.371 0.758 10 0 CCAERO C[NH2+]CCS(=O)(=O)N[C@H](C)CCc1ccco1 ZINC000049630471 522013720 /nfs/dbraw/zinc/01/37/20/522013720.db2.gz HWBOAUBPHCZKGZ-SNVBAGLBSA-N 1 0 260.359 0.740 10 0 CCAERO C[NH2+]CCS(=O)(=O)NCc1ccccc1OC ZINC000049629892 522014474 /nfs/dbraw/zinc/01/44/74/522014474.db2.gz JDWBHSQNFQKECP-UHFFFAOYSA-N 1 0 258.343 0.334 10 0 CCAERO CC(C)CCNC(=O)C[NH2+][C@H]1CCN2CCC[C@H]12 ZINC000049567398 519656238 /nfs/dbraw/zinc/65/62/38/519656238.db2.gz GXKQGPNUDPUUKU-QWHCGFSZSA-N 1 0 253.390 0.975 10 0 CCAERO CC(C)[NH2+]CCCS(=O)(=O)N1CCn2ccnc2C1 ZINC000062326881 519720861 /nfs/dbraw/zinc/72/08/61/519720861.db2.gz QJYOSVYATUKLAR-UHFFFAOYSA-N 1 0 286.401 0.417 10 0 CCAERO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cccnc1N ZINC000050708747 519814493 /nfs/dbraw/zinc/81/44/93/519814493.db2.gz AAUMJLZGGXRJLR-NSHDSACASA-N 1 0 250.346 0.980 10 0 CCAERO CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCNS(C)(=O)=O ZINC000054628182 519907915 /nfs/dbraw/zinc/90/79/15/519907915.db2.gz BIOMHJQUJIVLNN-YHWZYXNKSA-N 1 0 289.445 0.531 10 0 CCAERO CC[NH2+]CCC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC000061294631 519915297 /nfs/dbraw/zinc/91/52/97/519915297.db2.gz PWXYLKYPDINJQY-SNVBAGLBSA-N 1 0 262.375 0.022 10 0 CCAERO CCOCC[N@@H+]1CCN(CCn2ccnc2)C[C@@H]1C ZINC000161675812 519920400 /nfs/dbraw/zinc/92/04/00/519920400.db2.gz OBELYOQSKKZRKP-AWEZNQCLSA-N 1 0 266.389 0.926 10 0 CCAERO CCC[NH2+]C[C@@H]1CC[C@@H](CN2CCS(=O)CC2)O1 ZINC000052516451 519923748 /nfs/dbraw/zinc/92/37/48/519923748.db2.gz VKNXKLCSWYMSPO-STQMWFEESA-N 1 0 274.430 0.598 10 0 CCAERO CCCCN(CC(N)=O)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000055089914 520448555 /nfs/dbraw/zinc/44/85/55/520448555.db2.gz VIKXUHFWCBWQMJ-QWRGUYRKSA-N 1 0 255.362 0.618 10 0 CCAERO CCOC(=O)[C@@H]1CCCCN1C(=O)C(C)(C)[NH2+]C ZINC000061317695 521095337 /nfs/dbraw/zinc/09/53/37/521095337.db2.gz KJODUEKEQRMGGB-JTQLQIEISA-N 1 0 256.346 0.929 10 0 CCAERO CCC[C@]1(C(=O)N(CCOC)CCOC)CC[NH2+]C1 ZINC000062891226 521297809 /nfs/dbraw/zinc/29/78/09/521297809.db2.gz BIWDBSYWCGPNOO-AWEZNQCLSA-N 1 0 272.389 0.888 10 0 CCAERO CCOC(=O)[C@]1(NCC[NH+](C)C)CCCSC1 ZINC000061590603 521358305 /nfs/dbraw/zinc/35/83/05/521358305.db2.gz SQKJSBCMTOWBRR-LBPRGKRZSA-N 1 0 260.403 0.967 10 0 CCAERO CCC(CC)NC(=O)CN1CCCN(CC[NH3+])CC1 ZINC000049285429 521575011 /nfs/dbraw/zinc/57/50/11/521575011.db2.gz GXRRSPKJVCEJQC-UHFFFAOYSA-N 1 0 270.421 0.258 10 0 CCAERO CCOc1nc(Cl)nc(NCC[N@H+](C)CCOC)n1 ZINC000061517461 521603191 /nfs/dbraw/zinc/60/31/91/521603191.db2.gz CGUCMPNVAIPYPM-UHFFFAOYSA-N 1 0 289.767 0.914 10 0 CCAERO CCCn1c(SCc2ccc(NN)[nH+]c2)n[nH]c1=O ZINC000061608384 521634560 /nfs/dbraw/zinc/63/45/60/521634560.db2.gz SYELVZAIXONWKA-UHFFFAOYSA-N 1 0 280.357 0.954 10 0 CCAERO CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)CC[NH+](C)C ZINC000049557548 521742289 /nfs/dbraw/zinc/74/22/89/521742289.db2.gz QQBSPJQLSXHTCR-UWVGGRQHSA-N 1 0 258.366 0.150 10 0 CCAERO CNC(=O)c1ccc(CNC(=O)C(C)(C)[NH2+]C)cc1 ZINC000061318283 521813477 /nfs/dbraw/zinc/81/34/77/521813477.db2.gz FGSUONAXLUJRGU-UHFFFAOYSA-N 1 0 263.341 0.660 10 0 CCAERO CN(C)C[C@H]1CCC[N@@H+]1CCCC[C@@](C)([NH3+])C(=O)[O-] ZINC000061652967 521866642 /nfs/dbraw/zinc/86/66/42/521866642.db2.gz XOCKDLNVBMZWDJ-TZMCWYRMSA-N 1 0 271.405 0.985 10 0 CCAERO COCC[C@H]([NH3+])C(=O)N(Cc1cccnc1)C1CC1 ZINC000052808368 521939350 /nfs/dbraw/zinc/93/93/50/521939350.db2.gz SUDWASDYHRYDMO-ZDUSSCGKSA-N 1 0 263.341 0.936 10 0 CCAERO CC[C@H](CC[NH3+])NS(=O)(=O)CCc1ccccn1 ZINC000054161978 522129333 /nfs/dbraw/zinc/12/93/33/522129333.db2.gz HKMZPLJAWLUSOS-LLVKDONJSA-N 1 0 271.386 0.671 10 0 CCAERO C[NH2+]Cc1cn(CCN2C[C@@H](C)O[C@H](C)C2)nn1 ZINC000052380544 522145885 /nfs/dbraw/zinc/14/58/85/522145885.db2.gz QIUBWOJTLWOCQZ-GHMZBOCLSA-N 1 0 253.350 0.107 10 0 CCAERO COc1cc(F)ccc1NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000049569969 522610528 /nfs/dbraw/zinc/61/05/28/522610528.db2.gz QFVVGSONFKPAQA-PSASIEDQSA-N 1 0 254.261 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CN1c2cc(C(=O)N[C@@H]3CC[C@@H]([NH3+])C3)ccc2OCC1=O ZINC000072119449 638687575 /nfs/dbraw/zinc/68/75/75/638687575.db2.gz AQZASTQZJLGQQL-GHMZBOCLSA-N 1 0 289.335 0.651 10 0 CCAERO CCOC(CN1CC[N@H+](C[C@@H](C)O)[C@H](C)C1)OCC ZINC000184966736 638733791 /nfs/dbraw/zinc/73/37/91/638733791.db2.gz JLCHIQYKZHOSDQ-CHWSQXEVSA-N 1 0 274.405 0.772 10 0 CCAERO [NH3+][C@@H](CC(=O)N1CC[C@H](N2CCOCC2)C1)C1CC1 ZINC000124032131 646240343 /nfs/dbraw/zinc/24/03/43/646240343.db2.gz JSVHKJKIQBCFPW-STQMWFEESA-N 1 0 267.373 0.047 10 0 CCAERO Cc1noc([C@H](C)N2CC[NH+](CCC3OCCO3)CC2)n1 ZINC000124186839 646303518 /nfs/dbraw/zinc/30/35/18/646303518.db2.gz RWTIEIHGXULXEC-NSHDSACASA-N 1 0 296.371 0.820 10 0 CCAERO C[C@@H]1C[C@]([NH3+])(CC(N)=O)CCN1C(=O)OC(C)(C)C ZINC000211722015 647329839 /nfs/dbraw/zinc/32/98/39/647329839.db2.gz ZDRVHKLUBZKZHY-RNCFNFMXSA-N 1 0 271.361 0.979 10 0 CCAERO C[C@@H]1CN(C(=O)CN(C)[C@H]2CCC[NH2+]CC2)CCO1 ZINC000300241353 648106227 /nfs/dbraw/zinc/10/62/27/648106227.db2.gz AXIKKKGTQXWVRP-OLZOCXBDSA-N 1 0 269.389 0.308 10 0 CCAERO C[C@@H]1CN(C(=O)CCCCC[NH3+])C[C@@H]1N1CCOCC1 ZINC000155819678 649293367 /nfs/dbraw/zinc/29/33/67/649293367.db2.gz JSKBASRHIJOCSW-KGLIPLIRSA-N 1 0 283.416 0.685 10 0 CCAERO [NH3+]C[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000089389316 649655093 /nfs/dbraw/zinc/65/50/93/649655093.db2.gz HHZHBBAGMNRHHV-QJPTWQEYSA-N 1 0 267.373 0.536 10 0 CCAERO COCC(=O)N1CCN(C(=O)[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000089391958 649655994 /nfs/dbraw/zinc/65/59/94/649655994.db2.gz CVTAIWYIEBWWCB-STQMWFEESA-N 1 0 297.399 0.069 10 0 CCAERO CCOC(=O)CCNC(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000089397469 649656597 /nfs/dbraw/zinc/65/65/97/649656597.db2.gz NXUAJUGYOONPSW-QWRGUYRKSA-N 1 0 256.346 0.821 10 0 CCAERO CC(C)[N@@H+]1C[C@H](C)[C@H](N2C(=O)[C@H](C)NC2=S)C1 ZINC000246258677 649667025 /nfs/dbraw/zinc/66/70/25/649667025.db2.gz QKFDJZMDAXSTOJ-LPEHRKFASA-N 1 0 255.387 0.820 10 0 CCAERO [NH3+]C1CC(CNS(=O)(=O)Cc2ccccc2)C1 ZINC000091525603 649706386 /nfs/dbraw/zinc/70/63/86/649706386.db2.gz POGBBCIBSWLONO-UHFFFAOYSA-N 1 0 254.355 0.843 10 0 CCAERO CN1CCO[C@H](CNC(=O)CC[NH2+]C(C)(C)C)C1 ZINC000091669200 649708670 /nfs/dbraw/zinc/70/86/70/649708670.db2.gz KJGUNVRUAXYGFO-LLVKDONJSA-N 1 0 257.378 0.211 10 0 CCAERO COC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)O1 ZINC000248681471 649735755 /nfs/dbraw/zinc/73/57/55/649735755.db2.gz DDKVMQAJRILGDO-RVMXOQNASA-N 1 0 296.367 0.402 10 0 CCAERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000248895209 649738762 /nfs/dbraw/zinc/73/87/62/649738762.db2.gz XNDJKTHKFBRTBS-JBLDHEPKSA-N 1 0 291.355 0.019 10 0 CCAERO CCCNC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000094996490 649750990 /nfs/dbraw/zinc/75/09/90/649750990.db2.gz XRGDPUXRUTWBDW-GARJFASQSA-N 1 0 256.346 0.642 10 0 CCAERO CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000094996418 649751117 /nfs/dbraw/zinc/75/11/17/649751117.db2.gz SPYREDIVQDWUNM-SDDRHHMPSA-N 1 0 270.373 0.984 10 0 CCAERO CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC000249987298 649754643 /nfs/dbraw/zinc/75/46/43/649754643.db2.gz SPYREDIVQDWUNM-SRVKXCTJSA-N 1 0 270.373 0.984 10 0 CCAERO [NH3+][C@H]1CC[C@H](C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000097093246 649830390 /nfs/dbraw/zinc/83/03/90/649830390.db2.gz KZEDZICIBMDFMY-YUMQZZPRSA-N 1 0 260.297 0.922 10 0 CCAERO C[C@@H](CC[NH2+]CC1(O)CCC(C(=O)[O-])CC1)[NH+](C)C ZINC000697905424 954835306 /nfs/dbraw/zinc/83/53/06/954835306.db2.gz MECKTGKJHWFVAX-DCBWTQNWSA-N 1 0 272.389 0.922 10 0 CCAERO COC[C@@]1(C(=O)[O-])CCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000692379137 976440780 /nfs/dbraw/zinc/44/07/80/976440780.db2.gz PWGUQIQXSVFWIC-CQSZACIVSA-N 1 0 270.373 0.894 10 0 CCAERO C[NH+]1CCC(C[N@@H+]2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)CC1 ZINC000715767419 977782983 /nfs/dbraw/zinc/78/29/83/977782983.db2.gz YWKSKFYTYXVRIL-DZGCQCFKSA-N 1 0 282.384 0.751 10 0 CCAERO