smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC[C@H]([NH3+])C(=O)N[C@H](Cc1ccccc1)C(=O)OC ZINC000159430317 351963312 /nfs/dbraw/zinc/96/33/12/351963312.db2.gz OJPWZZQNGZIQSB-NWDGAFQWSA-N 1 0 280.324 -0.139 20 70 CBIDRO COCCN1C[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1=O ZINC000159753761 351965549 /nfs/dbraw/zinc/96/55/49/351965549.db2.gz CPSNDJQMNNVMCA-UPJWGTAASA-N 1 0 295.383 -0.166 20 70 CBIDRO O=C(C[C@@H]1NC(=O)NC1=O)NCC[NH+]1CCCCCC1 ZINC000159867536 351966625 /nfs/dbraw/zinc/96/66/25/351966625.db2.gz ABLRKEALSSLPTC-JTQLQIEISA-N 1 0 282.344 -0.423 20 70 CBIDRO O=C(NCC1CC[NH+](CCO)CC1)c1ccn[nH]1 ZINC000160643772 351971115 /nfs/dbraw/zinc/97/11/15/351971115.db2.gz OTSDDXDHWVGHHS-UHFFFAOYSA-N 1 0 252.318 -0.156 20 70 CBIDRO CCN1CCN(CC(=O)NCC([NH3+])(CC)CC)C(=O)C1=O ZINC000160513587 351971262 /nfs/dbraw/zinc/97/12/62/351971262.db2.gz UBBWOEMMAHJPBG-UHFFFAOYSA-N 1 0 298.387 -0.689 20 70 CBIDRO COC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000160577401 351971815 /nfs/dbraw/zinc/97/18/15/351971815.db2.gz MYFCJOIBXPZNRV-UTLUCORTSA-N 1 0 256.302 -0.567 20 70 CBIDRO Cn1cc(N2CC[C@H](NC(=O)[C@H]3CCC[NH2+]C3)C2=O)cn1 ZINC000161141872 351973641 /nfs/dbraw/zinc/97/36/41/351973641.db2.gz KQMMTVBTCMATMX-JQWIXIFHSA-N 1 0 291.355 -0.359 20 70 CBIDRO Cn1cc(N2CCN(C(=O)[C@H]3CCC[NH2+]C3)CC2=O)cn1 ZINC000161024454 351974115 /nfs/dbraw/zinc/97/41/15/351974115.db2.gz RUZNXNQWNBFPOU-NSHDSACASA-N 1 0 291.355 -0.405 20 70 CBIDRO Cc1nc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)cn1C ZINC000161457611 351974621 /nfs/dbraw/zinc/97/46/21/351974621.db2.gz LYLHIWHTTAOFOA-LLVKDONJSA-N 1 0 290.389 -0.681 20 70 CBIDRO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000216660218 352231440 /nfs/dbraw/zinc/23/14/40/352231440.db2.gz RVKOIGWNGDIBHC-UWVGGRQHSA-N 1 0 260.359 -0.416 20 70 CBIDRO COC(=O)CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000217024247 352232913 /nfs/dbraw/zinc/23/29/13/352232913.db2.gz PHKPTKPWSOHYLX-RYUDHWBXSA-N 1 0 283.372 -0.260 20 70 CBIDRO CS(=O)(=O)c1nc(C(=O)NCCC[NH3+])c2ccccn21 ZINC000160103858 188456418 /nfs/dbraw/zinc/45/64/18/188456418.db2.gz QFUMCAOACPBRRG-UHFFFAOYSA-N 1 0 296.352 -0.184 20 70 CBIDRO [NH3+]C[C@H]1CCCN1C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000160224938 283507359 /nfs/dbraw/zinc/50/73/59/283507359.db2.gz FAAOLAFNXJJZCQ-SNVBAGLBSA-N 1 0 294.355 -0.199 20 70 CBIDRO C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160685070 296141594 /nfs/dbraw/zinc/14/15/94/296141594.db2.gz YRRFHXYABQYLBF-BBBLOLIVSA-N 1 0 275.374 -0.723 20 70 CBIDRO CCN1C[C@@H](C(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1=O ZINC000160453240 372817959 /nfs/dbraw/zinc/81/79/59/372817959.db2.gz KGKBMCYDVWGEPO-STQMWFEESA-N 1 0 297.399 -0.182 20 70 CBIDRO O=C(CN1CCCCC1=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160069435 207390919 /nfs/dbraw/zinc/39/09/19/207390919.db2.gz WPTVCXHKOBFLSL-ZDUSSCGKSA-N 1 0 297.399 -0.038 20 70 CBIDRO C[NH2+][C@H]1CCN(C(=O)CCCN2C(=O)NC(C)(C)C2=O)C1 ZINC000160744316 207392241 /nfs/dbraw/zinc/39/22/41/207392241.db2.gz CZNUDUFDZUKXRL-JTQLQIEISA-N 1 0 296.371 -0.083 20 70 CBIDRO CC[C@@](C)(O)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000161148305 287394418 /nfs/dbraw/zinc/39/44/18/287394418.db2.gz RBLDKZQCUHIBBQ-VHSXEESVSA-N 1 0 250.364 -0.229 20 70 CBIDRO C[N@@H+](CC(=O)NCC(=O)N1CCCC1)C[C@H]1CCC[C@@H]1O ZINC000159835170 544473421 /nfs/dbraw/zinc/47/34/21/544473421.db2.gz VFKUZNMXNCGFFP-OLZOCXBDSA-N 1 0 297.399 -0.182 20 70 CBIDRO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+](C)C[C@H](O)C2CC2)CC1 ZINC000160789114 544475166 /nfs/dbraw/zinc/47/51/66/544475166.db2.gz KYEXCUKBNIVIDK-FZMZJTMJSA-N 1 0 297.399 -0.232 20 70 CBIDRO CC(C)(NS(C)(=O)=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161441679 544476453 /nfs/dbraw/zinc/47/64/53/544476453.db2.gz XNDJABAJQKISKY-IUCAKERBSA-N 1 0 277.390 -0.300 20 70 CBIDRO C[C@@H](CNC(=O)Cn1cnc(N)n1)[N@H+](C)C1CC1 ZINC000217949641 419564177 /nfs/dbraw/zinc/56/41/77/419564177.db2.gz XXJDXPFNRPICOA-QMMMGPOBSA-N 1 0 252.322 -0.541 20 70 CBIDRO C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000159749753 419502961 /nfs/dbraw/zinc/50/29/61/419502961.db2.gz HAXLQEAONPOZHG-GUBZILKMSA-N 1 0 276.358 -0.991 20 70 CBIDRO CS(=O)(=O)N[C@@H]1CCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000159397322 525208047 /nfs/dbraw/zinc/20/80/47/525208047.db2.gz LXBGVBJPKHTFOC-NXEZZACHSA-N 1 0 275.374 -0.721 20 70 CBIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000159436904 351963397 /nfs/dbraw/zinc/96/33/97/351963397.db2.gz WHSNKIXVFAUSJC-UWVGGRQHSA-N 1 0 271.361 -0.576 20 70 CBIDRO CCN1CCN(C(=O)[C@H](C)[N@H+](C)C[C@@H](C)O)CC1 ZINC000159424377 351963465 /nfs/dbraw/zinc/96/34/65/351963465.db2.gz CTHVUPYFIHEHFM-NEPJUHHUSA-N 1 0 257.378 -0.148 20 70 CBIDRO CS(=O)(=O)N[C@@H]1CCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000159394926 351963679 /nfs/dbraw/zinc/96/36/79/351963679.db2.gz QLTPURKXKDPKEO-SNVBAGLBSA-N 1 0 289.401 -0.344 20 70 CBIDRO CC[C@H](C(N)=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159410682 351963804 /nfs/dbraw/zinc/96/38/04/351963804.db2.gz WYZUERQFQSRPDU-VXGBXAGGSA-N 1 0 282.388 -0.336 20 70 CBIDRO COCCCS(=O)(=O)NCC[N@@H+]1CCCC[C@@H]1CO ZINC000159926660 351966901 /nfs/dbraw/zinc/96/69/01/351966901.db2.gz IIPQWLNXAWMILJ-GFCCVEGCSA-N 1 0 294.417 -0.211 20 70 CBIDRO [NH3+][C@H](Cc1ccccc1)C(=O)NCCN1C(=O)CCC1=O ZINC000160041238 351967813 /nfs/dbraw/zinc/96/78/13/351967813.db2.gz LRMKTHGLZYBAIJ-GFCCVEGCSA-N 1 0 289.335 -0.178 20 70 CBIDRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCNC(=O)C1 ZINC000160044225 351968030 /nfs/dbraw/zinc/96/80/30/351968030.db2.gz JBQAWLVCFOLGRY-PXWWUCIGSA-N 1 0 281.356 -0.523 20 70 CBIDRO CCS(=O)(=O)C[C@H](C)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000160095016 351968812 /nfs/dbraw/zinc/96/88/12/351968812.db2.gz JLNBJEWESVBUIN-UWVGGRQHSA-N 1 0 262.375 -0.075 20 70 CBIDRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)N1CC[NH2+]CC1 ZINC000160146440 351968883 /nfs/dbraw/zinc/96/88/83/351968883.db2.gz XHFRNNFPYGUWPD-GYSYKLTISA-N 1 0 267.373 -0.049 20 70 CBIDRO CN(Cc1cc(=O)n(C)c(=O)n1C)[C@@H](C[NH3+])C1CC1 ZINC000160101329 351969232 /nfs/dbraw/zinc/96/92/32/351969232.db2.gz QVPNDPJTDDZZQH-NSHDSACASA-N 1 0 266.345 -0.747 20 70 CBIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCNC(=O)C1 ZINC000160693068 351971374 /nfs/dbraw/zinc/97/13/74/351971374.db2.gz MMYOAJKMWLVYEI-LLVKDONJSA-N 1 0 266.345 -0.388 20 70 CBIDRO CCNC(=O)NC(=O)CN1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000161205795 351973909 /nfs/dbraw/zinc/97/39/09/351973909.db2.gz LOXFWDBIACHBQR-NXEZZACHSA-N 1 0 272.349 -0.730 20 70 CBIDRO CN(C(=O)[C@H]1CCCN1C)[C@H]1CCS(=O)(=O)C1 ZINC000216660600 352231513 /nfs/dbraw/zinc/23/15/13/352231513.db2.gz TZVKJLXKBYJCSL-VHSXEESVSA-N 1 0 260.359 -0.274 20 70 CBIDRO NC(=O)[C@H]1Cc2ccccc2CN1C(=O)C1C[NH2+]C1 ZINC000217509058 352233176 /nfs/dbraw/zinc/23/31/76/352233176.db2.gz VBOCFDKTLOJQBN-GFCCVEGCSA-N 1 0 259.309 -0.355 20 70 CBIDRO CSC[C@@](C)(O)C[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000217862540 352234230 /nfs/dbraw/zinc/23/42/30/352234230.db2.gz VEZGQOPNUKMSCL-LBPRGKRZSA-N 1 0 287.385 -0.712 20 70 CBIDRO COC(=O)[C@H](C)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159389323 284261827 /nfs/dbraw/zinc/26/18/27/284261827.db2.gz JXDWKJAZFXRMIL-CMPLNLGQSA-N 1 0 283.372 -0.038 20 70 CBIDRO COCC[NH2+]CC(=O)NCc1ccccc1OCCO ZINC000159811299 207390965 /nfs/dbraw/zinc/39/09/65/207390965.db2.gz SDCYOSDNYRNRKT-UHFFFAOYSA-N 1 0 282.340 -0.090 20 70 CBIDRO CC[C@@](C)(O)C[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000161475821 207391943 /nfs/dbraw/zinc/39/19/43/207391943.db2.gz MBFGPQJXMJGOEB-QWHCGFSZSA-N 1 0 260.378 -0.228 20 70 CBIDRO C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000160640828 207393065 /nfs/dbraw/zinc/39/30/65/207393065.db2.gz KEKXLJMALRGTSN-NWDGAFQWSA-N 1 0 282.388 -0.783 20 70 CBIDRO CCN(C)S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000161417839 207394076 /nfs/dbraw/zinc/39/40/76/207394076.db2.gz UCILAYDOMPEWEI-SECBINFHSA-N 1 0 253.368 -0.915 20 70 CBIDRO O=C1NC[C@@H]2CN(CCC[NH+]3CCCCC3)CCN2C1=O ZINC000161416169 296379423 /nfs/dbraw/zinc/37/94/23/296379423.db2.gz KMAMSIQFSGYLAC-CYBMUJFWSA-N 1 0 294.399 -0.495 20 70 CBIDRO C[C@H](C(=O)NCC(F)(F)F)N(C)CCN1CC[NH2+]CC1 ZINC000159865443 544474068 /nfs/dbraw/zinc/47/40/68/544474068.db2.gz VUPDZZJVFWARCO-SNVBAGLBSA-N 1 0 296.337 -0.110 20 70 CBIDRO CC[NH+]1CCC(NC(=O)[C@H]2COCCN2C(C)=O)CC1 ZINC000159486916 544474221 /nfs/dbraw/zinc/47/42/21/544474221.db2.gz JUANKBJJKPCKBB-CYBMUJFWSA-N 1 0 283.372 -0.166 20 70 CBIDRO CCN1CCN(CC(=O)N[C@H]2CCC[C@H]([NH3+])C2)C(=O)C1=O ZINC000161500116 544475938 /nfs/dbraw/zinc/47/59/38/544475938.db2.gz IBZKYALPDTYANW-QWRGUYRKSA-N 1 0 296.371 -0.937 20 70 CBIDRO CC1(C)C(=O)NC(=O)N1CC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000160832152 544476049 /nfs/dbraw/zinc/47/60/49/544476049.db2.gz YVXQFOHWODCHSK-DTWKUNHWSA-N 1 0 282.344 -0.297 20 70 CBIDRO CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161380289 544476488 /nfs/dbraw/zinc/47/64/88/544476488.db2.gz VXOBCTHQXHRPKD-HBNTYKKESA-N 1 0 289.401 -0.204 20 70 CBIDRO CNC(=O)C1(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000160246684 290351805 /nfs/dbraw/zinc/35/18/05/290351805.db2.gz KPMBWMZICORTEL-AOOOYVTPSA-N 1 0 251.330 -0.135 20 70 CBIDRO NC(=O)CSCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159756014 303254850 /nfs/dbraw/zinc/25/48/50/303254850.db2.gz JTTPZNHHJLRKSV-DTORHVGOSA-N 1 0 257.359 -0.442 20 70 CBIDRO CC[NH+](CC)CCNC(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000161483670 520672595 /nfs/dbraw/zinc/67/25/95/520672595.db2.gz YJUPCTOUDNYQQE-LLVKDONJSA-N 1 0 283.376 -0.253 20 70 CBIDRO C[C@H](NC(=O)[C@H]1C[C@@H](O)C[NH2+]1)C(=O)OC1CCCC1 ZINC000160889343 525182902 /nfs/dbraw/zinc/18/29/02/525182902.db2.gz KAHPNKNDGQMQMN-IQJOONFLSA-N 1 0 270.329 -0.300 20 70 CBIDRO Cn1cc(N2CCN(C(=O)C[C@H]3CCC[NH2+]3)CC2=O)cn1 ZINC000159388933 527249434 /nfs/dbraw/zinc/24/94/34/527249434.db2.gz RPRXUTPFPMGIAO-LLVKDONJSA-N 1 0 291.355 -0.263 20 70 CBIDRO C[NH2+]CCNC(=O)c1ccc2c(c1)N(C)C(=O)CO2 ZINC000216973343 582127845 /nfs/dbraw/zinc/12/78/45/582127845.db2.gz RQPRVGCLSZUPRW-UHFFFAOYSA-N 1 0 263.297 -0.009 20 70 CBIDRO CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000216660639 582127899 /nfs/dbraw/zinc/12/78/99/582127899.db2.gz JMLJRCOGGSFNSX-QWRGUYRKSA-N 1 0 274.386 -0.026 20 70 CBIDRO CC(C)NC(=O)CN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159421397 351963664 /nfs/dbraw/zinc/96/36/64/351963664.db2.gz AIEMLSZNJOQTBZ-CYBMUJFWSA-N 1 0 296.415 -0.075 20 70 CBIDRO [NH3+]C1(CNC(=O)CN2CC(=O)NC2=O)CCCCC1 ZINC000159498180 351964442 /nfs/dbraw/zinc/96/44/42/351964442.db2.gz SXDUIYZFVKRGSA-UHFFFAOYSA-N 1 0 268.317 -0.684 20 70 CBIDRO COC(=O)CNC(=O)CC[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159788507 351966021 /nfs/dbraw/zinc/96/60/21/351966021.db2.gz HKRRBBVLAUCPEO-MNOVXSKESA-N 1 0 272.345 -0.242 20 70 CBIDRO C[C@H](C[NH+]1CCCCC1)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000159896979 351967197 /nfs/dbraw/zinc/96/71/97/351967197.db2.gz MIGWNXLZKOSHTC-ZJUUUORDSA-N 1 0 282.344 -0.425 20 70 CBIDRO [NH3+]CCCNC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000160139726 351968807 /nfs/dbraw/zinc/96/88/07/351968807.db2.gz XFUCDTRGFPARTL-AOOOYVTPSA-N 1 0 267.329 -0.373 20 70 CBIDRO CCS(=O)(=O)C[C@H](C)NC(=O)[C@H]([NH3+])C(C)C ZINC000160095301 351969074 /nfs/dbraw/zinc/96/90/74/351969074.db2.gz HDHNYAXZRBRQNP-DTWKUNHWSA-N 1 0 250.364 -0.091 20 70 CBIDRO CCS(=O)(=O)C[C@@H](C)NC(=O)[C@@H]([NH3+])C(C)C ZINC000160095451 351969268 /nfs/dbraw/zinc/96/92/68/351969268.db2.gz HDHNYAXZRBRQNP-BDAKNGLRSA-N 1 0 250.364 -0.091 20 70 CBIDRO CNC(=O)c1cccc(CCNC(=O)C[NH2+]CCOC)c1 ZINC000160370952 351970071 /nfs/dbraw/zinc/97/00/71/351970071.db2.gz HXDPSQOEDMXNEL-UHFFFAOYSA-N 1 0 293.367 -0.059 20 70 CBIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CNC(N)=O ZINC000160393930 351970173 /nfs/dbraw/zinc/97/01/73/351970173.db2.gz ZUIFJTMFYFYDBL-SNVBAGLBSA-N 1 0 256.350 -0.109 20 70 CBIDRO C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CCC[C@@H]2O)CC1=O ZINC000161261026 351973893 /nfs/dbraw/zinc/97/38/93/351973893.db2.gz JTSKLJZGVJJCDT-WOPDTQHZSA-N 1 0 283.372 -0.574 20 70 CBIDRO NC(=O)CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000217056127 352232158 /nfs/dbraw/zinc/23/21/58/352232158.db2.gz WBUBCCMIMJEETL-GHMZBOCLSA-N 1 0 268.361 -0.948 20 70 CBIDRO CN1CC[C@H](N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)C1=O ZINC000159392233 283116691 /nfs/dbraw/zinc/11/66/91/283116691.db2.gz UJLMHPJPWXVKRG-OLZOCXBDSA-N 1 0 294.399 -0.369 20 70 CBIDRO CN1CC[C@@H](N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)C1=O ZINC000159392379 372816566 /nfs/dbraw/zinc/81/65/66/372816566.db2.gz UJLMHPJPWXVKRG-CHWSQXEVSA-N 1 0 294.399 -0.369 20 70 CBIDRO CC[C@](C)(O)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000161148202 372817816 /nfs/dbraw/zinc/81/78/16/372817816.db2.gz RBLDKZQCUHIBBQ-UWVGGRQHSA-N 1 0 250.364 -0.229 20 70 CBIDRO CC(C)N1C[C@H](NC(=O)NCCN2CC[NH2+]CC2)CC1=O ZINC000217288329 220236030 /nfs/dbraw/zinc/23/60/30/220236030.db2.gz AOQQFPWZHZEEDB-GFCCVEGCSA-N 1 0 297.403 -0.800 20 70 CBIDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000160640561 207391760 /nfs/dbraw/zinc/39/17/60/207391760.db2.gz KEKXLJMALRGTSN-VXGBXAGGSA-N 1 0 282.388 -0.783 20 70 CBIDRO CCOCCC[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000160311210 207393272 /nfs/dbraw/zinc/39/32/72/207393272.db2.gz RVDUSFHANHCBHO-NSHDSACASA-N 1 0 279.406 -0.082 20 70 CBIDRO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160793287 544475143 /nfs/dbraw/zinc/47/51/43/544475143.db2.gz VXLYTLHJGXVITH-GWCFXTLKSA-N 1 0 297.399 -0.185 20 70 CBIDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)CC[C@@H]1CCCO1 ZINC000161445717 544476328 /nfs/dbraw/zinc/47/63/28/544476328.db2.gz XIKINRMEDWWVNK-RYUDHWBXSA-N 1 0 294.417 -0.213 20 70 CBIDRO CC(C)([NH3+])CNC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000160010519 275551303 /nfs/dbraw/zinc/55/13/03/275551303.db2.gz XSZOGLGULIAIBW-UHFFFAOYSA-N 1 0 282.344 -0.296 20 70 CBIDRO NC(=O)CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000217056093 329316480 /nfs/dbraw/zinc/31/64/80/329316480.db2.gz WBUBCCMIMJEETL-QWRGUYRKSA-N 1 0 268.361 -0.948 20 70 CBIDRO CC(C)(C)C(=O)NCC(=O)NCC1CC[NH+](CCO)CC1 ZINC000160603086 518574549 /nfs/dbraw/zinc/57/45/49/518574549.db2.gz AYZPFXIYEHWVEB-UHFFFAOYSA-N 1 0 299.415 -0.031 20 70 CBIDRO CCC[N@@H+]1CCCN(C(=O)CC[C@H]2NC(=O)NC2=O)CC1 ZINC000160399634 519848856 /nfs/dbraw/zinc/84/88/56/519848856.db2.gz XGHZIDIOGKOVOL-LLVKDONJSA-N 1 0 296.371 -0.081 20 70 CBIDRO CN1CC(=O)N(CC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1=O ZINC000160345343 523741684 /nfs/dbraw/zinc/74/16/84/523741684.db2.gz NKOPMPGPORTOGZ-AOOOYVTPSA-N 1 0 280.328 -0.767 20 70 CBIDRO O=C(NCC1CC[NH+](CCO)CC1)c1cnccn1 ZINC000160629710 534820274 /nfs/dbraw/zinc/82/02/74/534820274.db2.gz PQYYBDJGQQZWHT-UHFFFAOYSA-N 1 0 264.329 -0.089 20 70 CBIDRO C[C@H](NC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)C(=O)OC1CCCC1 ZINC000160889190 525150915 /nfs/dbraw/zinc/15/09/15/525150915.db2.gz KAHPNKNDGQMQMN-NGZCFLSTSA-N 1 0 270.329 -0.300 20 70 CBIDRO O=C(NCCCN1C(=O)CNC1=O)[C@@H]1CCCC[NH2+]1 ZINC000159387549 351963701 /nfs/dbraw/zinc/96/37/01/351963701.db2.gz LYUQPLOZDUHPQX-VIFPVBQESA-N 1 0 268.317 -0.813 20 70 CBIDRO CC(C)[C@H]([NH3+])C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000159672667 351965307 /nfs/dbraw/zinc/96/53/07/351965307.db2.gz KHTDWUBYPXDFTO-NSHDSACASA-N 1 0 291.417 -0.195 20 70 CBIDRO C[N@@H+](CC(=O)N1CCC[C@H](C(N)=O)C1)C[C@H]1CCC[C@@H]1O ZINC000159745978 351965642 /nfs/dbraw/zinc/96/56/42/351965642.db2.gz NBUJSKWJBQCMGQ-AGIUHOORSA-N 1 0 297.399 -0.197 20 70 CBIDRO C[N@@H+](CC(=O)N1CCC[C@H](C(N)=O)C1)C[C@@H]1CCC[C@@H]1O ZINC000159745842 351965833 /nfs/dbraw/zinc/96/58/33/351965833.db2.gz NBUJSKWJBQCMGQ-AVGNSLFASA-N 1 0 297.399 -0.197 20 70 CBIDRO CCS(=O)(=O)C[C@@H](C)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000160094874 351968066 /nfs/dbraw/zinc/96/80/66/351968066.db2.gz JLNBJEWESVBUIN-ZJUUUORDSA-N 1 0 262.375 -0.075 20 70 CBIDRO COC(=O)[C@@H]1C[C@H]1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000159958064 351968190 /nfs/dbraw/zinc/96/81/90/351968190.db2.gz CEGBDEQHUGINSF-QJPTWQEYSA-N 1 0 284.356 -0.242 20 70 CBIDRO CCS(=O)(=O)C[C@@H](C)NC(=O)[C@H]([NH3+])C(C)C ZINC000160095173 351969488 /nfs/dbraw/zinc/96/94/88/351969488.db2.gz HDHNYAXZRBRQNP-RKDXNWHRSA-N 1 0 250.364 -0.091 20 70 CBIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cnnn1 ZINC000160389480 351969920 /nfs/dbraw/zinc/96/99/20/351969920.db2.gz KATBUMXEYFOZBB-LLVKDONJSA-N 1 0 266.349 -0.090 20 70 CBIDRO O=C(NCCCOCC1CCOCC1)[C@H]1C[NH2+]CCO1 ZINC000160582877 351971004 /nfs/dbraw/zinc/97/10/04/351971004.db2.gz UFMMFSWLCMNHAQ-CYBMUJFWSA-N 1 0 286.372 -0.076 20 70 CBIDRO O=C(NCC1CC[NH+](CCO)CC1)[C@H]1CCCO1 ZINC000160653820 351971888 /nfs/dbraw/zinc/97/18/88/351971888.db2.gz SQWMKQVWBBRONE-GFCCVEGCSA-N 1 0 256.346 -0.014 20 70 CBIDRO CSCC[C@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000160822502 351972619 /nfs/dbraw/zinc/97/26/19/351972619.db2.gz FRDDKOXNEREUMW-SCZZXKLOSA-N 1 0 271.386 -0.054 20 70 CBIDRO O=C(NCCC[NH+]1CCCC1)c1ccc(=O)[nH]n1 ZINC000218692549 137669255 /nfs/dbraw/zinc/66/92/55/137669255.db2.gz LXBYNLBDLROLAR-UHFFFAOYSA-N 1 0 250.302 -0.014 20 70 CBIDRO C[C@H](C(=O)N(C)CC(=O)NCC(C)(C)[NH3+])n1cccn1 ZINC000160091647 188455175 /nfs/dbraw/zinc/45/51/75/188455175.db2.gz FMKNMMZIZPPCBF-SNVBAGLBSA-N 1 0 281.360 -0.244 20 70 CBIDRO CC(C)[C@@H](NC(N)=O)C(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000159691005 372816385 /nfs/dbraw/zinc/81/63/85/372816385.db2.gz ARZSYYSAPCPHQL-HBNTYKKESA-N 1 0 284.360 -0.779 20 70 CBIDRO C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCCC[NH3+] ZINC000160026688 207391152 /nfs/dbraw/zinc/39/11/52/207391152.db2.gz KKFZHUXLRSBEAC-SNVBAGLBSA-N 1 0 285.369 -0.182 20 70 CBIDRO C[C@@H](C(N)=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000160595201 207392098 /nfs/dbraw/zinc/39/20/98/207392098.db2.gz UANJKCDRGDRAQS-WDEREUQCSA-N 1 0 268.361 -0.901 20 70 CBIDRO CCN1C[C@H](C(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1=O ZINC000160453349 285449461 /nfs/dbraw/zinc/44/94/61/285449461.db2.gz KGKBMCYDVWGEPO-CHWSQXEVSA-N 1 0 297.399 -0.182 20 70 CBIDRO CC[N@H+](CCNC(=O)Cn1cnc(N)n1)C1CC1 ZINC000217908680 419565095 /nfs/dbraw/zinc/56/50/95/419565095.db2.gz JSDOMSAWHOSRHW-UHFFFAOYSA-N 1 0 252.322 -0.539 20 70 CBIDRO CC[C@H](C)[N@H+](C)CCNC(=O)Cn1cnc(N)n1 ZINC000218042211 419565203 /nfs/dbraw/zinc/56/52/03/419565203.db2.gz SVCHBNVFWMGZMZ-VIFPVBQESA-N 1 0 254.338 -0.293 20 70 CBIDRO COCC[NH2+]CC(=O)N[C@@H]1CCCC[C@H]1C(N)=O ZINC000160872675 277229343 /nfs/dbraw/zinc/22/93/43/277229343.db2.gz ZDODXKXRTLUFPH-NXEZZACHSA-N 1 0 257.334 -0.617 20 70 CBIDRO O=C([C@@H]1CCC(=O)NC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159734231 280079938 /nfs/dbraw/zinc/07/99/38/280079938.db2.gz ZAYIZPHZVZTOQR-MXWKQRLJSA-N 1 0 251.330 -0.135 20 70 CBIDRO CC1(C)NC(=O)N(CC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1=O ZINC000160736099 281392307 /nfs/dbraw/zinc/39/23/07/281392307.db2.gz XNWULUFJYJYTKG-AOOOYVTPSA-N 1 0 294.355 -0.330 20 70 CBIDRO COC(=O)CCNC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159462511 327196807 /nfs/dbraw/zinc/19/68/07/327196807.db2.gz CXYNAEGTKSPKMH-QWRGUYRKSA-N 1 0 272.345 -0.242 20 70 CBIDRO COC(=O)CCNC(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159462643 327196856 /nfs/dbraw/zinc/19/68/56/327196856.db2.gz CXYNAEGTKSPKMH-MNOVXSKESA-N 1 0 272.345 -0.242 20 70 CBIDRO [NH3+]CCCNC(=O)CNC(=O)OCC(F)(F)F ZINC000160133702 534611883 /nfs/dbraw/zinc/61/18/83/534611883.db2.gz VMDXASYXIKGUJW-UHFFFAOYSA-N 1 0 257.212 -0.260 20 70 CBIDRO C[C@H](NC(=O)[C@@H]1C[NH2+]CCO1)C(=O)OC1CCCC1 ZINC000160891090 525147779 /nfs/dbraw/zinc/14/77/79/525147779.db2.gz CHQPSYAFCRATOL-ONGXEEELSA-N 1 0 270.329 -0.035 20 70 CBIDRO CS(=O)(=O)N[C@H]1CCN(C(=O)C[NH2+]CC2CC2)C1 ZINC000159396073 525213815 /nfs/dbraw/zinc/21/38/15/525213815.db2.gz FNUBVZJMGQXBCQ-JTQLQIEISA-N 1 0 275.374 -0.864 20 70 CBIDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000159652487 351964383 /nfs/dbraw/zinc/96/43/83/351964383.db2.gz WCWLXGJNZJYPOP-UWVGGRQHSA-N 1 0 282.344 -0.615 20 70 CBIDRO C[N@@H+](CC(=O)N1CCNC1=O)C[C@H]1CCC[C@@H]1O ZINC000159755072 351965214 /nfs/dbraw/zinc/96/52/14/351965214.db2.gz RFZHGLDBYHEACD-ZJUUUORDSA-N 1 0 255.318 -0.369 20 70 CBIDRO COCCN1C[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1=O ZINC000159753883 351965959 /nfs/dbraw/zinc/96/59/59/351965959.db2.gz CPSNDJQMNNVMCA-RWMBFGLXSA-N 1 0 295.383 -0.166 20 70 CBIDRO COC[C@H](O)CNC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000159943413 351967680 /nfs/dbraw/zinc/96/76/80/351967680.db2.gz IASWLLNCBFYHGU-NXEZZACHSA-N 1 0 262.375 -0.453 20 70 CBIDRO CN(CCN1C(=O)NC(C)(C)C1=O)[C@@H](C[NH3+])C1CC1 ZINC000160014889 351967911 /nfs/dbraw/zinc/96/79/11/351967911.db2.gz UHMVMAZCEDLBJA-JTQLQIEISA-N 1 0 268.361 -0.014 20 70 CBIDRO COC(=O)Cn1cc(CC[N@H+](C)[C@H]2CCOC2)nn1 ZINC000160065492 351967933 /nfs/dbraw/zinc/96/79/33/351967933.db2.gz UVJWHGLYYWIWEC-NSHDSACASA-N 1 0 268.317 -0.286 20 70 CBIDRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)N1CCNC(=O)C1 ZINC000160044479 351968209 /nfs/dbraw/zinc/96/82/09/351968209.db2.gz JBQAWLVCFOLGRY-UDZFHETQSA-N 1 0 281.356 -0.523 20 70 CBIDRO CN(CCN1C(=O)NC(C)(C)C1=O)[C@H](C[NH3+])C1CC1 ZINC000160015010 351968250 /nfs/dbraw/zinc/96/82/50/351968250.db2.gz UHMVMAZCEDLBJA-SNVBAGLBSA-N 1 0 268.361 -0.014 20 70 CBIDRO [NH3+]CCCNC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000160139869 351969005 /nfs/dbraw/zinc/96/90/05/351969005.db2.gz XFUCDTRGFPARTL-UWVGGRQHSA-N 1 0 267.329 -0.373 20 70 CBIDRO C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CC[C@@H]([NH3+])C2)C1=O ZINC000160200140 351969171 /nfs/dbraw/zinc/96/91/71/351969171.db2.gz MRCXMXDSIOAEAR-NOZJJQNGSA-N 1 0 280.328 -0.734 20 70 CBIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCNC(=O)C1 ZINC000160692931 351971585 /nfs/dbraw/zinc/97/15/85/351971585.db2.gz MMYOAJKMWLVYEI-NSHDSACASA-N 1 0 266.345 -0.388 20 70 CBIDRO COCC[NH2+]CC(=O)N[C@@H]1CCCC[C@@H]1C(N)=O ZINC000160872417 351972851 /nfs/dbraw/zinc/97/28/51/351972851.db2.gz ZDODXKXRTLUFPH-VHSXEESVSA-N 1 0 257.334 -0.617 20 70 CBIDRO COC(=O)[C@H]1CCCCN1C(=O)COC1(C)C[NH2+]C1 ZINC000161117836 351973887 /nfs/dbraw/zinc/97/38/87/351973887.db2.gz RBJPHNOFJQFJSS-SNVBAGLBSA-N 1 0 270.329 -0.081 20 70 CBIDRO CO[C@@H]1CCN(S(=O)(=O)C[C@@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000161158657 351974061 /nfs/dbraw/zinc/97/40/61/351974061.db2.gz AVYWWZLWVUNBQI-TUAOUCFPSA-N 1 0 292.401 -0.067 20 70 CBIDRO C[C@@H](C(=O)NC(N)=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161339997 351974945 /nfs/dbraw/zinc/97/49/45/351974945.db2.gz XLJXPTJPANLLPX-JTQLQIEISA-N 1 0 277.328 -0.213 20 70 CBIDRO O=C([C@H]1C[C@H](O)C[NH2+]1)N1CCN(C2CCC2)CC1 ZINC000218543367 352234795 /nfs/dbraw/zinc/23/47/95/352234795.db2.gz FXQPDYPRFCWJIJ-NWDGAFQWSA-N 1 0 253.346 -0.594 20 70 CBIDRO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000216660158 352231365 /nfs/dbraw/zinc/23/13/65/352231365.db2.gz RVKOIGWNGDIBHC-ZJUUUORDSA-N 1 0 260.359 -0.416 20 70 CBIDRO Cn1cc(N2CCN(C(=O)[C@H]3CC[C@H]([NH3+])C3)CC2=O)cn1 ZINC000159386148 188422246 /nfs/dbraw/zinc/42/22/46/188422246.db2.gz IMDCHZYVMPWROV-QWRGUYRKSA-N 1 0 291.355 -0.277 20 70 CBIDRO C[NH2+][C@H]1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000160598366 283683782 /nfs/dbraw/zinc/68/37/82/283683782.db2.gz IPDPMXHWJOVYEL-JTQLQIEISA-N 1 0 294.355 -0.329 20 70 CBIDRO CC[C@H](C(=O)N1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC000159969283 207389796 /nfs/dbraw/zinc/38/97/96/207389796.db2.gz AYASWIIAOCXCON-SNVBAGLBSA-N 1 0 277.390 -0.570 20 70 CBIDRO C[C@H](C(N)=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000160595087 207392653 /nfs/dbraw/zinc/39/26/53/207392653.db2.gz UANJKCDRGDRAQS-MNOVXSKESA-N 1 0 268.361 -0.901 20 70 CBIDRO C[NH2+][C@H]1CCN(C(=O)CS(=O)(=O)CC(C)C)C1 ZINC000160795915 207392932 /nfs/dbraw/zinc/39/29/32/207392932.db2.gz UPABUMXTKUGBTN-JTQLQIEISA-N 1 0 262.375 -0.123 20 70 CBIDRO NS(=O)(=O)NC[C@H]1CCC[N@H+](CCOCC2CC2)C1 ZINC000160307998 207392997 /nfs/dbraw/zinc/39/29/97/207392997.db2.gz URWFFEJCEAJLCT-GFCCVEGCSA-N 1 0 291.417 -0.082 20 70 CBIDRO C[C@@H](C(=O)NCCC[NH3+])N1C(=O)NC2(CCCC2)C1=O ZINC000160081704 286774592 /nfs/dbraw/zinc/77/45/92/286774592.db2.gz FNZRGQRUJMHYBT-VIFPVBQESA-N 1 0 282.344 -0.296 20 70 CBIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Cn1cnc(N)n1 ZINC000218042138 419564516 /nfs/dbraw/zinc/56/45/16/419564516.db2.gz SVCHBNVFWMGZMZ-SECBINFHSA-N 1 0 254.338 -0.293 20 70 CBIDRO CC(C)N1C[C@@H](NC(=O)N2CC[NH2+]CC2)CC1=O ZINC000217287844 260092759 /nfs/dbraw/zinc/09/27/59/260092759.db2.gz ODHNFDNQGLPNMM-JTQLQIEISA-N 1 0 254.334 -0.390 20 70 CBIDRO CC(C)([NH3+])CNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000160006472 277307759 /nfs/dbraw/zinc/30/77/59/277307759.db2.gz DRHGDZBQSCTIAO-QMMMGPOBSA-N 1 0 265.317 -0.384 20 70 CBIDRO [NH3+]C[C@@H]1CCCN1C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000160225052 279639187 /nfs/dbraw/zinc/63/91/87/279639187.db2.gz FAAOLAFNXJJZCQ-JTQLQIEISA-N 1 0 294.355 -0.199 20 70 CBIDRO CN1C[C@H](C(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1=O ZINC000160167851 290300993 /nfs/dbraw/zinc/30/09/93/290300993.db2.gz MAENKRLESNGQRS-NEPJUHHUSA-N 1 0 283.372 -0.572 20 70 CBIDRO CC(C)[C@@H]([NH3+])C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000161029354 328118286 /nfs/dbraw/zinc/11/82/86/328118286.db2.gz NGAOIGRQDCZIRW-RKDXNWHRSA-N 1 0 263.363 -0.880 20 70 CBIDRO CC(C)C[C@H](CO)NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000161088821 328128750 /nfs/dbraw/zinc/12/87/50/328128750.db2.gz WVERLWBQPLMASL-CHWSQXEVSA-N 1 0 299.415 -0.080 20 70 CBIDRO CC(C)C[C@@H](CO)NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000161088926 328128796 /nfs/dbraw/zinc/12/87/96/328128796.db2.gz WVERLWBQPLMASL-STQMWFEESA-N 1 0 299.415 -0.080 20 70 CBIDRO CO[C@@]1(C[NH2+]C[C@@H](O)CN2CCOCC2)CCOC1 ZINC000160352314 327606760 /nfs/dbraw/zinc/60/67/60/327606760.db2.gz UPCGDIVUSUQEHK-CHWSQXEVSA-N 1 0 274.361 -0.925 20 70 CBIDRO C[NH2+][C@H]1CCN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C1 ZINC000160505486 522501074 /nfs/dbraw/zinc/50/10/74/522501074.db2.gz RFBBZJQLEVKPFV-HZMBPMFUSA-N 1 0 294.355 -0.473 20 70 CBIDRO C[C@H](NC(=O)[C@H]1C[NH2+]CCO1)C(=O)OC1CCCC1 ZINC000160891226 525182440 /nfs/dbraw/zinc/18/24/40/525182440.db2.gz CHQPSYAFCRATOL-GXSJLCMTSA-N 1 0 270.329 -0.035 20 70 CBIDRO Cc1nc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)c(=O)[nH]c1C ZINC000160446462 526641498 /nfs/dbraw/zinc/64/14/98/526641498.db2.gz KEBARDBFEMVQJO-LLVKDONJSA-N 1 0 294.355 -0.211 20 70 CBIDRO C[NH2+]C[C@H]1CCCN1C(=O)CN(C)S(C)(=O)=O ZINC000161276244 290724949 /nfs/dbraw/zinc/72/49/49/290724949.db2.gz VAWZJOQGKSQZOS-SECBINFHSA-N 1 0 263.363 -0.912 20 70 CBIDRO [NH3+]C1(C(=O)NCCCN2C(=O)CNC2=O)CCCCC1 ZINC000159390803 351963112 /nfs/dbraw/zinc/96/31/12/351963112.db2.gz HFNMLSMMFMIJPF-UHFFFAOYSA-N 1 0 282.344 -0.294 20 70 CBIDRO CS(=O)(=O)N[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000159397138 351963210 /nfs/dbraw/zinc/96/32/10/351963210.db2.gz LXBGVBJPKHTFOC-VHSXEESVSA-N 1 0 275.374 -0.721 20 70 CBIDRO Cn1cc(N2CC[C@H](NC(=O)C[C@@H]3CCC[NH2+]3)C2=O)cn1 ZINC000159613744 351964689 /nfs/dbraw/zinc/96/46/89/351964689.db2.gz OUUADRAHRJDNQQ-JQWIXIFHSA-N 1 0 291.355 -0.216 20 70 CBIDRO CC[N@@H+]1CCCN(C(=O)NCCNC(C)=O)CC1 ZINC000159525662 351964941 /nfs/dbraw/zinc/96/49/41/351964941.db2.gz SZJYAGPCIJEXDZ-UHFFFAOYSA-N 1 0 256.350 -0.140 20 70 CBIDRO O=C(CN1CSCC1=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159545173 351965059 /nfs/dbraw/zinc/96/50/59/351965059.db2.gz JRGUYGHZSUOQKK-AOOOYVTPSA-N 1 0 269.370 -0.128 20 70 CBIDRO [NH3+][C@@H](Cc1ccccc1)C(=O)NCCN1C(=O)CNC1=O ZINC000160067572 351967694 /nfs/dbraw/zinc/96/76/94/351967694.db2.gz UDGKZNCDTQQZBF-NSHDSACASA-N 1 0 290.323 -0.776 20 70 CBIDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)CC1 ZINC000159986849 351967819 /nfs/dbraw/zinc/96/78/19/351967819.db2.gz FMCUHVINUPBPFS-NWDGAFQWSA-N 1 0 298.387 -0.244 20 70 CBIDRO [NH3+]CCCNC(=O)[C@H]1COCC(=O)N1Cc1ccccc1 ZINC000160085966 351968132 /nfs/dbraw/zinc/96/81/32/351968132.db2.gz NRXWZWWQKZGNKQ-CYBMUJFWSA-N 1 0 291.351 -0.121 20 70 CBIDRO C[C@H](NS(=O)(=O)c1cccs1)C(=O)NCCC[NH3+] ZINC000160079771 351968264 /nfs/dbraw/zinc/96/82/64/351968264.db2.gz NGGSBGQNGNLHPM-QMMMGPOBSA-N 1 0 291.398 -0.120 20 70 CBIDRO Cc1conc1NC(=O)C(=O)N1CCN(C)CC1 ZINC000160314678 351968682 /nfs/dbraw/zinc/96/86/82/351968682.db2.gz SQSDVZCFCARIQI-UHFFFAOYSA-N 1 0 252.274 -0.304 20 70 CBIDRO C[C@@H](C(=O)N(C)CC(=O)NCCC[NH3+])n1cccn1 ZINC000160144512 351969166 /nfs/dbraw/zinc/96/91/66/351969166.db2.gz WAOWPVRDVGKHKR-JTQLQIEISA-N 1 0 267.333 -0.633 20 70 CBIDRO CCC([NH3+])(CC)CNC(=O)C(C)(C)NS(C)(=O)=O ZINC000160521987 351971429 /nfs/dbraw/zinc/97/14/29/351971429.db2.gz FQSRTOWFSXXEAW-UHFFFAOYSA-N 1 0 279.406 -0.052 20 70 CBIDRO COC(=O)C1CCN(C(=O)COC2(C)C[NH2+]C2)CC1 ZINC000161094620 351973297 /nfs/dbraw/zinc/97/32/97/351973297.db2.gz CDAYXFIKLKZAAS-UHFFFAOYSA-N 1 0 270.329 -0.224 20 70 CBIDRO CC(C)[NH2+]CCC(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000161023770 351973578 /nfs/dbraw/zinc/97/35/78/351973578.db2.gz OGPTXJPASWVRTO-UHFFFAOYSA-N 1 0 293.371 -0.017 20 70 CBIDRO Cc1noc(C)c1S(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000161479676 351974557 /nfs/dbraw/zinc/97/45/57/351974557.db2.gz YAFVIKMJSBDZJK-NSHDSACASA-N 1 0 291.373 -0.118 20 70 CBIDRO CCCN(C)S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000161473829 351975246 /nfs/dbraw/zinc/97/52/46/351975246.db2.gz MUSWBYPGBYFSKR-SNVBAGLBSA-N 1 0 267.395 -0.525 20 70 CBIDRO CS(=O)(=O)NCCC[NH2+]Cc1cccc(C(N)=O)c1 ZINC000218087095 352234849 /nfs/dbraw/zinc/23/48/49/352234849.db2.gz HEBLWJKZLAIRST-UHFFFAOYSA-N 1 0 285.369 -0.186 20 70 CBIDRO O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CCN(C2CCC2)CC1 ZINC000218543284 352235027 /nfs/dbraw/zinc/23/50/27/352235027.db2.gz FXQPDYPRFCWJIJ-RYUDHWBXSA-N 1 0 253.346 -0.594 20 70 CBIDRO O=C(N[C@@H]1CCCN(c2ncccn2)C1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000217906285 352233933 /nfs/dbraw/zinc/23/39/33/352233933.db2.gz AGFOJPXEEAEOKS-UTUOFQBUSA-N 1 0 291.355 -0.716 20 70 CBIDRO Cn1cc(N2CC[C@H](NC(=O)[C@@H]3CCC[NH2+]C3)C2=O)cn1 ZINC000161141631 188510992 /nfs/dbraw/zinc/51/09/92/188510992.db2.gz KQMMTVBTCMATMX-PWSUYJOCSA-N 1 0 291.355 -0.359 20 70 CBIDRO O=C([C@@H]1CCCO1)N1CCCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000159419727 296020129 /nfs/dbraw/zinc/02/01/29/296020129.db2.gz AUYQBAHTPUOXBL-OLZOCXBDSA-N 1 0 295.383 -0.022 20 70 CBIDRO CC(C)N1C[C@H](NC(=O)NCC[NH+](C)C)CC1=O ZINC000217288771 220235639 /nfs/dbraw/zinc/23/56/39/220235639.db2.gz DIEYFWFJZBBHIX-SNVBAGLBSA-N 1 0 256.350 -0.144 20 70 CBIDRO O=C(CN1CCNCC1=O)NCC[NH2+]C1CCCCCC1 ZINC000159731517 207390697 /nfs/dbraw/zinc/39/06/97/207390697.db2.gz KEIANVLPSXLVKF-UHFFFAOYSA-N 1 0 296.415 -0.153 20 70 CBIDRO C[C@H]1CCCN(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000161420792 207392746 /nfs/dbraw/zinc/39/27/46/207392746.db2.gz TWACZMSRDZYMQD-RYUDHWBXSA-N 1 0 293.433 -0.135 20 70 CBIDRO C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)C1 ZINC000160746959 207392796 /nfs/dbraw/zinc/39/27/96/207392796.db2.gz GIXMUMCBOVGBKI-WOPDTQHZSA-N 1 0 293.367 -0.018 20 70 CBIDRO C[NH2+][C@H]1CCN(C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)C1 ZINC000160746834 207393796 /nfs/dbraw/zinc/39/37/96/207393796.db2.gz GIXMUMCBOVGBKI-SDDRHHMPSA-N 1 0 293.367 -0.018 20 70 CBIDRO [NH3+][C@H]1CCC[C@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC000160879824 544475187 /nfs/dbraw/zinc/47/51/87/544475187.db2.gz NNHPKFKUTZYFIV-QWRGUYRKSA-N 1 0 289.339 -0.118 20 70 CBIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CN2CSCC2=O)C1 ZINC000161355935 544475335 /nfs/dbraw/zinc/47/53/35/544475335.db2.gz BWYMVAFHYKPGGR-IUCAKERBSA-N 1 0 257.359 -0.095 20 70 CBIDRO CC1(OCC(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)C[NH2+]C1 ZINC000161223168 544475614 /nfs/dbraw/zinc/47/56/14/544475614.db2.gz RKALZKVWZLFKRB-WDEREUQCSA-N 1 0 281.356 -0.508 20 70 CBIDRO CC1(OCC(=O)Nc2cccc(S(N)(=O)=O)c2)C[NH2+]C1 ZINC000161092893 544475744 /nfs/dbraw/zinc/47/57/44/544475744.db2.gz KGLAWLAMSHLTQL-UHFFFAOYSA-N 1 0 299.352 -0.349 20 70 CBIDRO C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160793425 544475908 /nfs/dbraw/zinc/47/59/08/544475908.db2.gz VXLYTLHJGXVITH-MFKMUULPSA-N 1 0 297.399 -0.185 20 70 CBIDRO CC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161441814 544476212 /nfs/dbraw/zinc/47/62/12/544476212.db2.gz XNDJABAJQKISKY-RKDXNWHRSA-N 1 0 277.390 -0.300 20 70 CBIDRO Cc1nc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c(=O)[nH]c1C ZINC000160446608 279066787 /nfs/dbraw/zinc/06/67/87/279066787.db2.gz KEBARDBFEMVQJO-NSHDSACASA-N 1 0 294.355 -0.211 20 70 CBIDRO CN1C[C@@H](C(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1=O ZINC000160168230 290265777 /nfs/dbraw/zinc/26/57/77/290265777.db2.gz MAENKRLESNGQRS-NWDGAFQWSA-N 1 0 283.372 -0.572 20 70 CBIDRO O=C(C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000160864521 303534637 /nfs/dbraw/zinc/53/46/37/303534637.db2.gz FFTYAHUNZDTMLO-IUODEOHRSA-N 1 0 295.383 -0.428 20 70 CBIDRO CC[C@H]([NH3+])C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000159671674 327553729 /nfs/dbraw/zinc/55/37/29/327553729.db2.gz QRKXHAMPYCGIOB-JTQLQIEISA-N 1 0 277.390 -0.441 20 70 CBIDRO CCC[N@@H+]1CCCN(C(=O)CNC(=O)CNC(C)=O)CC1 ZINC000160377371 519848557 /nfs/dbraw/zinc/84/85/57/519848557.db2.gz OTFCCTQOYWDJJC-UHFFFAOYSA-N 1 0 298.387 -0.817 20 70 CBIDRO C[C@H](NC(=O)[C@@H]1C[C@H](O)C[NH2+]1)C(=O)OC1CCCC1 ZINC000160888949 525151891 /nfs/dbraw/zinc/15/18/91/525151891.db2.gz KAHPNKNDGQMQMN-QXEWZRGKSA-N 1 0 270.329 -0.300 20 70 CBIDRO O=C(CN1CCCC1=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160718213 526735055 /nfs/dbraw/zinc/73/50/55/526735055.db2.gz RPALTNYTIMBUSI-PHIMTYICSA-N 1 0 251.330 -0.038 20 70 CBIDRO CC(C)(C)C(=O)Cn1cc(C(=O)NCCC[NH3+])nn1 ZINC000160130532 527566994 /nfs/dbraw/zinc/56/69/94/527566994.db2.gz VUBHOOUGRJXXJM-UHFFFAOYSA-N 1 0 267.333 -0.028 20 70 CBIDRO Cn1cc(N2CCN(C(=O)[C@H]3CC[NH2+]C3)CC2=O)cn1 ZINC000159389239 351963711 /nfs/dbraw/zinc/96/37/11/351963711.db2.gz KQQBHPVYNIPFQC-JTQLQIEISA-N 1 0 277.328 -0.795 20 70 CBIDRO CS(=O)(=O)N[C@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000159397254 351963799 /nfs/dbraw/zinc/96/37/99/351963799.db2.gz LXBGVBJPKHTFOC-UWVGGRQHSA-N 1 0 275.374 -0.721 20 70 CBIDRO O=C([C@H]1CCCO1)N1CCCC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000159419879 351963843 /nfs/dbraw/zinc/96/38/43/351963843.db2.gz AUYQBAHTPUOXBL-QWHCGFSZSA-N 1 0 295.383 -0.022 20 70 CBIDRO CC(C)C[C@H]([NH3+])C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000159385373 351963860 /nfs/dbraw/zinc/96/38/60/351963860.db2.gz WXJUFTFRHPVBRC-LBPRGKRZSA-N 1 0 293.371 -0.031 20 70 CBIDRO CC[NH+](CC)CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC000159585395 351964971 /nfs/dbraw/zinc/96/49/71/351964971.db2.gz CAMLAZKXBHGFOX-QMMMGPOBSA-N 1 0 256.306 -0.958 20 70 CBIDRO CN1CC[C@H](NC(=O)[C@H]([NH3+])Cc2ccccc2)C1=O ZINC000159625485 351965013 /nfs/dbraw/zinc/96/50/13/351965013.db2.gz ZPQLLOWTSFNFOD-NEPJUHHUSA-N 1 0 261.325 -0.097 20 70 CBIDRO CC[N@@H+]1CCCN(C(=O)NCCN2C(=O)CCC2=O)CC1 ZINC000159859730 351967132 /nfs/dbraw/zinc/96/71/32/351967132.db2.gz CBVDVUSVRVBKAS-UHFFFAOYSA-N 1 0 296.371 -0.127 20 70 CBIDRO [NH3+]CCCNC(=O)CCn1nnc2ccccc2c1=O ZINC000160026831 351967802 /nfs/dbraw/zinc/96/78/02/351967802.db2.gz WNEVCTUVCHLNEI-UHFFFAOYSA-N 1 0 275.312 -0.353 20 70 CBIDRO COC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000159957795 351967943 /nfs/dbraw/zinc/96/79/43/351967943.db2.gz CEGBDEQHUGINSF-SDDRHHMPSA-N 1 0 284.356 -0.242 20 70 CBIDRO [NH3+]CCCNC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000160069723 351968319 /nfs/dbraw/zinc/96/83/19/351968319.db2.gz CFFVAWYSGVWRMI-UHFFFAOYSA-N 1 0 268.317 -0.684 20 70 CBIDRO CCC(=O)N1CSC[C@@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160214494 351968732 /nfs/dbraw/zinc/96/87/32/351968732.db2.gz BCKRHSBQFDLFIB-RKDXNWHRSA-N 1 0 257.359 -0.143 20 70 CBIDRO [NH3+][C@@H]1CCN(C(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000160282212 351969252 /nfs/dbraw/zinc/96/92/52/351969252.db2.gz YBCARJZBULKUAX-LLVKDONJSA-N 1 0 297.380 -0.085 20 70 CBIDRO [NH3+][C@@H]1CCN(C(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)C1 ZINC000160299600 351969395 /nfs/dbraw/zinc/96/93/95/351969395.db2.gz XWAZODGFISFHSN-GMTAPVOTSA-N 1 0 279.340 -0.279 20 70 CBIDRO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CC[NH2+]CC1 ZINC000160146168 351969474 /nfs/dbraw/zinc/96/94/74/351969474.db2.gz XHFRNNFPYGUWPD-WDMOLILDSA-N 1 0 267.373 -0.049 20 70 CBIDRO O=C(NCCCOCC1CCOCC1)[C@@H]1C[NH2+]CCO1 ZINC000160582735 351971828 /nfs/dbraw/zinc/97/18/28/351971828.db2.gz UFMMFSWLCMNHAQ-ZDUSSCGKSA-N 1 0 286.372 -0.076 20 70 CBIDRO O=C(NCC1CC[NH+](CCO)CC1)[C@H]1CCOC1 ZINC000160635900 351971873 /nfs/dbraw/zinc/97/18/73/351971873.db2.gz VRMJQASHKIFNRF-LBPRGKRZSA-N 1 0 256.346 -0.157 20 70 CBIDRO CC[NH2+]CC1CCN(C(=O)[C@H]2COCCN2)CC1 ZINC000161007094 351972608 /nfs/dbraw/zinc/97/26/08/351972608.db2.gz CFSUBEZTPHPMPB-GFCCVEGCSA-N 1 0 255.362 -0.177 20 70 CBIDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)CC1CCOCC1 ZINC000161428727 351974821 /nfs/dbraw/zinc/97/48/21/351974821.db2.gz BANNBUDLEOBJBX-LBPRGKRZSA-N 1 0 294.417 -0.355 20 70 CBIDRO CSC[C@](C)(O)C[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000217862620 352234011 /nfs/dbraw/zinc/23/40/11/352234011.db2.gz VEZGQOPNUKMSCL-GFCCVEGCSA-N 1 0 287.385 -0.712 20 70 CBIDRO CN1CC[N@H+](C)C[C@@H]1CNc1ccc(C(N)=O)nn1 ZINC000218053165 352234184 /nfs/dbraw/zinc/23/41/84/352234184.db2.gz LULLHKMMBAQFOM-VIFPVBQESA-N 1 0 264.333 -0.767 20 70 CBIDRO O=C(N[C@@H]1CCCN(c2ncccn2)C1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000217906359 352234250 /nfs/dbraw/zinc/23/42/50/352234250.db2.gz AGFOJPXEEAEOKS-GRYCIOLGSA-N 1 0 291.355 -0.716 20 70 CBIDRO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccn[nH]1 ZINC000160305308 188465105 /nfs/dbraw/zinc/46/51/05/188465105.db2.gz LOHPCJIYXCYARS-SNVBAGLBSA-N 1 0 252.318 -0.014 20 70 CBIDRO Cn1cc(N2CC[C@@H](NC(=O)[C@H]3CCC[NH2+]C3)C2=O)cn1 ZINC000161142002 188511204 /nfs/dbraw/zinc/51/12/04/188511204.db2.gz KQMMTVBTCMATMX-CMPLNLGQSA-N 1 0 291.355 -0.359 20 70 CBIDRO CCNC(=O)NC(=O)CN1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000161205667 188514432 /nfs/dbraw/zinc/51/44/32/188514432.db2.gz LOXFWDBIACHBQR-ZJUUUORDSA-N 1 0 272.349 -0.730 20 70 CBIDRO COC(=O)[C@@H](C)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159389447 291234144 /nfs/dbraw/zinc/23/41/44/291234144.db2.gz JXDWKJAZFXRMIL-ZYHUDNBSSA-N 1 0 283.372 -0.038 20 70 CBIDRO CC[C@@H](C)[C@H](NS(C)(=O)=O)C(=O)NCC(C)(C)[NH3+] ZINC000160051551 207388998 /nfs/dbraw/zinc/38/89/98/207388998.db2.gz VBRUCLVRUMENQQ-BDAKNGLRSA-N 1 0 279.406 -0.196 20 70 CBIDRO CC(=O)N1CCN(C(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)CC1 ZINC000159485554 207390654 /nfs/dbraw/zinc/39/06/54/207390654.db2.gz GOYLAJUOPMHZSY-KBPBESRZSA-N 1 0 297.399 -0.230 20 70 CBIDRO CCCN(C)S(=O)(=O)N1CCN(CC(C)(C)O)CC1 ZINC000160823836 207391984 /nfs/dbraw/zinc/39/19/84/207391984.db2.gz APWMXJILGQRCRA-UHFFFAOYSA-N 1 0 293.433 -0.039 20 70 CBIDRO COC[C@H](C)S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000161467180 207392401 /nfs/dbraw/zinc/39/24/01/207392401.db2.gz QHTCZRGQIZHQOD-VHSXEESVSA-N 1 0 268.379 -0.747 20 70 CBIDRO C[NH2+][C@H]1CCN(C(=O)Cn2nnc3ccccc3c2=O)C1 ZINC000160794692 207394110 /nfs/dbraw/zinc/39/41/10/207394110.db2.gz LYPXQZMSTBXDEN-JTQLQIEISA-N 1 0 287.323 -0.388 20 70 CBIDRO C[NH2+][C@@H]1CCN(C(=O)CCCN2C(=O)NC(C)(C)C2=O)C1 ZINC000160744442 207394210 /nfs/dbraw/zinc/39/42/10/207394210.db2.gz CZNUDUFDZUKXRL-SNVBAGLBSA-N 1 0 296.371 -0.083 20 70 CBIDRO CC[NH+]1CCC(NC(=O)[C@@H]2COCCN2C(C)=O)CC1 ZINC000159486798 544473781 /nfs/dbraw/zinc/47/37/81/544473781.db2.gz JUANKBJJKPCKBB-ZDUSSCGKSA-N 1 0 283.372 -0.166 20 70 CBIDRO CN(C)C(=O)NCCNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000160844614 544475511 /nfs/dbraw/zinc/47/55/11/544475511.db2.gz XMOSWDJWWNJAQH-JTQLQIEISA-N 1 0 296.293 -0.084 20 70 CBIDRO CCN1CCN(CC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)C(=O)C1=O ZINC000161500317 544475765 /nfs/dbraw/zinc/47/57/65/544475765.db2.gz IBZKYALPDTYANW-MNOVXSKESA-N 1 0 296.371 -0.937 20 70 CBIDRO COC[C@H](O)CNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160681299 544475843 /nfs/dbraw/zinc/47/58/43/544475843.db2.gz ADQFEZWICLXQAI-NWDGAFQWSA-N 1 0 271.361 -0.223 20 70 CBIDRO O=C(C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)N1CC[NH2+]CC1 ZINC000160864420 419503668 /nfs/dbraw/zinc/50/36/68/419503668.db2.gz FFTYAHUNZDTMLO-DOMZBBRYSA-N 1 0 295.383 -0.428 20 70 CBIDRO CN(C)C(=O)NCCNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000160857448 328089107 /nfs/dbraw/zinc/08/91/07/328089107.db2.gz MTNCZQXJDOACSM-LBPRGKRZSA-N 1 0 278.356 -0.056 20 70 CBIDRO CC(C)[NH2+]CCC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000161028191 328118282 /nfs/dbraw/zinc/11/82/82/328118282.db2.gz PIUCCTOJASLWJE-JTQLQIEISA-N 1 0 277.390 -0.475 20 70 CBIDRO C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C1 ZINC000160505738 522389192 /nfs/dbraw/zinc/38/91/92/522389192.db2.gz RFBBZJQLEVKPFV-YGRLFVJLSA-N 1 0 294.355 -0.473 20 70 CBIDRO C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C1 ZINC000160505864 522390219 /nfs/dbraw/zinc/39/02/19/522390219.db2.gz RFBBZJQLEVKPFV-QMTHXVAHSA-N 1 0 294.355 -0.473 20 70 CBIDRO O=C(CO)N1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161458335 526903096 /nfs/dbraw/zinc/90/30/96/526903096.db2.gz LYIUCHOHWSNOPL-UHFFFAOYSA-N 1 0 269.389 -0.001 20 70 CBIDRO C[C@H](NC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O)C(=O)N(C)C ZINC000159764906 351965260 /nfs/dbraw/zinc/96/52/60/351965260.db2.gz DNEKTXNDVHUJRU-SRVKXCTJSA-N 1 0 285.388 -0.328 20 70 CBIDRO COC(=O)Cn1cc(CC[N@@H+]2CCC[C@H]2CO)nn1 ZINC000159851509 351967055 /nfs/dbraw/zinc/96/70/55/351967055.db2.gz ROSJUXFQVQPQAV-NSHDSACASA-N 1 0 268.317 -0.550 20 70 CBIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000159896850 351967223 /nfs/dbraw/zinc/96/72/23/351967223.db2.gz MIGWNXLZKOSHTC-UWVGGRQHSA-N 1 0 282.344 -0.425 20 70 CBIDRO Cn1cc(C[NH2+]CC2(CO)CCCC2)c(=O)n(C)c1=O ZINC000160084087 351967926 /nfs/dbraw/zinc/96/79/26/351967926.db2.gz JVCMCIHNTVSJFS-UHFFFAOYSA-N 1 0 281.356 -0.274 20 70 CBIDRO [NH3+]C1(C(=O)NCCN2C(=O)CNC2=O)CCCCC1 ZINC000160067836 351967980 /nfs/dbraw/zinc/96/79/80/351967980.db2.gz WXORECQMQSVQEL-UHFFFAOYSA-N 1 0 268.317 -0.684 20 70 CBIDRO CC(C)CS(=O)(=O)CCC(=O)NCCC[NH3+] ZINC000160053697 351968060 /nfs/dbraw/zinc/96/80/60/351968060.db2.gz MKLVFELXHXGPEG-UHFFFAOYSA-N 1 0 250.364 -0.088 20 70 CBIDRO CN(Cc1cc(=O)n(C)c(=O)n1C)[C@H](C[NH3+])C1CC1 ZINC000160101466 351969443 /nfs/dbraw/zinc/96/94/43/351969443.db2.gz QVPNDPJTDDZZQH-LLVKDONJSA-N 1 0 266.345 -0.747 20 70 CBIDRO Nc1nccnc1C(=O)NCC1CC[NH+](CCO)CC1 ZINC000160706955 351970993 /nfs/dbraw/zinc/97/09/93/351970993.db2.gz WIWAZXXUAIRMIK-UHFFFAOYSA-N 1 0 279.344 -0.507 20 70 CBIDRO O=C(N[C@H]1CC(=O)N(C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000160822080 351972291 /nfs/dbraw/zinc/97/22/91/351972291.db2.gz WYFJNMWILKXUAW-ZJUUUORDSA-N 1 0 251.330 -0.135 20 70 CBIDRO CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000161142395 351973264 /nfs/dbraw/zinc/97/32/64/351973264.db2.gz ZLUFEIAUYYUUTD-QWRGUYRKSA-N 1 0 279.344 -0.375 20 70 CBIDRO CCOC(=O)CN(C(=O)COC1(C)C[NH2+]C1)C1CC1 ZINC000161129223 351973927 /nfs/dbraw/zinc/97/39/27/351973927.db2.gz YAGPTKRCAOWPSQ-UHFFFAOYSA-N 1 0 270.329 -0.081 20 70 CBIDRO CN1CC[NH2+]C[C@@H]1CNS(=O)(=O)c1ccccc1 ZINC000217236878 352232474 /nfs/dbraw/zinc/23/24/74/352232474.db2.gz JUEUGFIPMSSNSV-LLVKDONJSA-N 1 0 269.370 -0.132 20 70 CBIDRO CN1CC[C@@H](NC(=O)[C@H]([NH3+])Cc2ccccc2)C1=O ZINC000159625598 188434701 /nfs/dbraw/zinc/43/47/01/188434701.db2.gz ZPQLLOWTSFNFOD-VXGBXAGGSA-N 1 0 261.325 -0.097 20 70 CBIDRO COc1ccc(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)nn1 ZINC000160155138 188457926 /nfs/dbraw/zinc/45/79/26/188457926.db2.gz OLDBQZNWGDYBPX-NSHDSACASA-N 1 0 293.371 -0.149 20 70 CBIDRO CN1C[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1=O ZINC000160496106 283189994 /nfs/dbraw/zinc/18/99/94/283189994.db2.gz JSVFBSFYVGURPI-GARJFASQSA-N 1 0 251.330 -0.182 20 70 CBIDRO CN1C[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1=O ZINC000160495986 283230118 /nfs/dbraw/zinc/23/01/18/283230118.db2.gz JSVFBSFYVGURPI-MXWKQRLJSA-N 1 0 251.330 -0.182 20 70 CBIDRO CNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159874169 283361781 /nfs/dbraw/zinc/36/17/81/283361781.db2.gz IVIHMFCLDYHXLD-GUBZILKMSA-N 1 0 257.334 -0.077 20 70 CBIDRO C[C@H](NS(C)(=O)=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160684957 299337718 /nfs/dbraw/zinc/33/77/18/299337718.db2.gz YRRFHXYABQYLBF-LPEHRKFASA-N 1 0 275.374 -0.723 20 70 CBIDRO O=C(C(=O)N1CC[C@]2(O)CCCC[C@H]2C1)N1CC[NH2+]CC1 ZINC000160864314 372817980 /nfs/dbraw/zinc/81/79/80/372817980.db2.gz FFTYAHUNZDTMLO-SWLSCSKDSA-N 1 0 295.383 -0.428 20 70 CBIDRO CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)NCC(C)(C)[NH3+] ZINC000160051958 207389174 /nfs/dbraw/zinc/38/91/74/207389174.db2.gz VBRUCLVRUMENQQ-DTWKUNHWSA-N 1 0 279.406 -0.196 20 70 CBIDRO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCCC[NH3+] ZINC000160026560 207391349 /nfs/dbraw/zinc/39/13/49/207391349.db2.gz KKFZHUXLRSBEAC-JTQLQIEISA-N 1 0 285.369 -0.182 20 70 CBIDRO CCC(=O)N1CC[C@H](C(=O)NCC[N@H+](C)CCOC)C1 ZINC000161451827 207392021 /nfs/dbraw/zinc/39/20/21/207392021.db2.gz LTRMHKZEYUIJQN-LBPRGKRZSA-N 1 0 285.388 -0.061 20 70 CBIDRO CCC1(CC)NC(=O)N(CC(=O)N2CC[C@H]([NH2+]C)C2)C1=O ZINC000160730407 207393056 /nfs/dbraw/zinc/39/30/56/207393056.db2.gz VMHHFKBUFAFXEW-JTQLQIEISA-N 1 0 296.371 -0.083 20 70 CBIDRO C[NH2+][C@@H]1CCN(C(=O)CS(=O)(=O)CC(C)C)C1 ZINC000160796054 207393209 /nfs/dbraw/zinc/39/32/09/207393209.db2.gz UPABUMXTKUGBTN-SNVBAGLBSA-N 1 0 262.375 -0.123 20 70 CBIDRO C[NH2+][C@@H]1CCN(C(=O)Cn2nnc3ccccc3c2=O)C1 ZINC000160794560 207393387 /nfs/dbraw/zinc/39/33/87/207393387.db2.gz LYPXQZMSTBXDEN-SNVBAGLBSA-N 1 0 287.323 -0.388 20 70 CBIDRO C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)C1 ZINC000160746709 207394100 /nfs/dbraw/zinc/39/41/00/207394100.db2.gz GIXMUMCBOVGBKI-UTUOFQBUSA-N 1 0 293.367 -0.018 20 70 CBIDRO Cn1cc(N2CC[C@@H](NC(=O)CC3([NH3+])CCC3)C2=O)cn1 ZINC000159614411 544474288 /nfs/dbraw/zinc/47/42/88/544474288.db2.gz NWMYJDUPQIRNQB-LLVKDONJSA-N 1 0 291.355 -0.087 20 70 CBIDRO C[C@@H](C(=O)NCC(F)(F)F)N(C)CCN1CC[NH2+]CC1 ZINC000159865296 544474511 /nfs/dbraw/zinc/47/45/11/544474511.db2.gz VUPDZZJVFWARCO-JTQLQIEISA-N 1 0 296.337 -0.110 20 70 CBIDRO Nc1nc(N)nc(CN2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000161358881 544475253 /nfs/dbraw/zinc/47/52/53/544475253.db2.gz KLJCCINLYXRZNL-UHFFFAOYSA-N 1 0 286.343 -0.247 20 70 CBIDRO COCC[N@@H+]1CCCN(C(=O)COC2(C)C[NH2+]C2)CC1 ZINC000161130231 544475696 /nfs/dbraw/zinc/47/56/96/544475696.db2.gz YJEXGPUECIFCPM-UHFFFAOYSA-N 1 0 285.388 -0.454 20 70 CBIDRO CC(C)(NS(C)(=O)=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161441539 544475752 /nfs/dbraw/zinc/47/57/52/544475752.db2.gz XNDJABAJQKISKY-DTWKUNHWSA-N 1 0 277.390 -0.300 20 70 CBIDRO CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@H](O)C2CC2)CC1 ZINC000160789241 544475945 /nfs/dbraw/zinc/47/59/45/544475945.db2.gz KYEXCUKBNIVIDK-RISCZKNCSA-N 1 0 297.399 -0.232 20 70 CBIDRO C[C@@H](O)C[N@H+](C)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000159507542 278393760 /nfs/dbraw/zinc/39/37/60/278393760.db2.gz LEOXFVICGINUPL-MWLCHTKSSA-N 1 0 252.318 -0.162 20 70 CBIDRO C[C@@H]1[C@H](C)N(C(=O)[C@@H]2C[NH2+]CCO2)CCS1(=O)=O ZINC000159750029 289011174 /nfs/dbraw/zinc/01/11/74/289011174.db2.gz HAXLQEAONPOZHG-AEJSXWLSSA-N 1 0 276.358 -0.991 20 70 CBIDRO COC[C@@H]([NH3+])C(=O)NC[C@@H](CC(C)C)N1CCOCC1 ZINC000159411574 292818139 /nfs/dbraw/zinc/81/81/39/292818139.db2.gz DBEFPBZKARIGOL-CHWSQXEVSA-N 1 0 287.404 -0.177 20 70 CBIDRO O=C(CNC(=O)NCc1ccccc1)N1CC[NH2+]CC1 ZINC000159413281 327183128 /nfs/dbraw/zinc/18/31/28/327183128.db2.gz NHOKBXWFAHOGHG-UHFFFAOYSA-N 1 0 276.340 -0.082 20 70 CBIDRO C[NH+](C)C[C@](C)(O)CNC(=O)CS(=O)(=O)C(C)(C)C ZINC000160101398 327594596 /nfs/dbraw/zinc/59/45/96/327594596.db2.gz MDPMKFXABUZMLE-GFCCVEGCSA-N 1 0 294.417 -0.372 20 70 CBIDRO CCC[N@@H+]1CCCN(C(=O)CCNC(N)=O)CC1 ZINC000160401700 519848825 /nfs/dbraw/zinc/84/88/25/519848825.db2.gz JLQXIIMQCVMFRX-UHFFFAOYSA-N 1 0 256.350 -0.011 20 70 CBIDRO C[C@H](NC(=O)[C@H]1C[C@H](O)C[NH2+]1)C(=O)OC1CCCC1 ZINC000160889076 525184476 /nfs/dbraw/zinc/18/44/76/525184476.db2.gz KAHPNKNDGQMQMN-ATZCPNFKSA-N 1 0 270.329 -0.300 20 70 CBIDRO O=C(C[C@H]1CC[NH2+]C1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000217768866 582128029 /nfs/dbraw/zinc/12/80/29/582128029.db2.gz YGXYLVYDNANMPE-UPJWGTAASA-N 1 0 267.373 -0.035 20 70 CBIDRO COC[C@H]([NH3+])C(=O)NCCNC(=O)c1ccc(C)cc1 ZINC000159373755 351963447 /nfs/dbraw/zinc/96/34/47/351963447.db2.gz UGLYZZIQFRABEY-LBPRGKRZSA-N 1 0 279.340 -0.185 20 70 CBIDRO CC(C)NC(=O)CN1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000159421531 351963599 /nfs/dbraw/zinc/96/35/99/351963599.db2.gz AIEMLSZNJOQTBZ-ZDUSSCGKSA-N 1 0 296.415 -0.075 20 70 CBIDRO CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@@H](C)O)CC1 ZINC000159429971 351963853 /nfs/dbraw/zinc/96/38/53/351963853.db2.gz KHZVKQFMZIJLHK-MNOVXSKESA-N 1 0 271.361 -0.622 20 70 CBIDRO Cn1cc(N2CC[C@@H](NC(=O)C[C@H]3CCC[NH2+]3)C2=O)cn1 ZINC000159614144 351964316 /nfs/dbraw/zinc/96/43/16/351964316.db2.gz OUUADRAHRJDNQQ-ZYHUDNBSSA-N 1 0 291.355 -0.216 20 70 CBIDRO CC(=O)N1CCOC[C@H]1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000159793266 351965169 /nfs/dbraw/zinc/96/51/69/351965169.db2.gz CPNXVSZQJKPSAA-ZDUSSCGKSA-N 1 0 283.372 -0.214 20 70 CBIDRO CC(C)[NH+]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC000159792811 351965536 /nfs/dbraw/zinc/96/55/36/351965536.db2.gz YFQZOZWNKYMOKB-VIFPVBQESA-N 1 0 268.317 -0.863 20 70 CBIDRO COC(=O)CNC(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159838957 351967233 /nfs/dbraw/zinc/96/72/33/351967233.db2.gz OTZPNXCQDNPEAO-ZJUUUORDSA-N 1 0 258.318 -0.632 20 70 CBIDRO Cn1cc(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cn1 ZINC000159989640 351967901 /nfs/dbraw/zinc/96/79/01/351967901.db2.gz IUFQNGRCIFMGQR-PHIMTYICSA-N 1 0 262.313 -0.044 20 70 CBIDRO [NH3+]CCCNC(=O)CCn1c2ccccc2c(=O)[nH]c1=O ZINC000160079017 351968053 /nfs/dbraw/zinc/96/80/53/351968053.db2.gz ZJFKNLHXUCSQOT-UHFFFAOYSA-N 1 0 290.323 -0.455 20 70 CBIDRO CCS(=O)(=O)C[C@@H](C)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000160094607 351968085 /nfs/dbraw/zinc/96/80/85/351968085.db2.gz JLNBJEWESVBUIN-NXEZZACHSA-N 1 0 262.375 -0.075 20 70 CBIDRO CC[N@@H+]1CCCN(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)CC1 ZINC000159986983 351968283 /nfs/dbraw/zinc/96/82/83/351968283.db2.gz FMCUHVINUPBPFS-VXGBXAGGSA-N 1 0 298.387 -0.244 20 70 CBIDRO CNC(=O)c1cccc(CCNC(=O)[C@H]2C[NH2+]CCO2)c1 ZINC000160370519 351970604 /nfs/dbraw/zinc/97/06/04/351970604.db2.gz SDTXYJUWJVHCIY-CYBMUJFWSA-N 1 0 291.351 -0.307 20 70 CBIDRO Cn1cc(N2CC[C@@H](NC(=O)[C@@H]3CCC[NH2+]C3)C2=O)cn1 ZINC000161141752 351973358 /nfs/dbraw/zinc/97/33/58/351973358.db2.gz KQMMTVBTCMATMX-ZYHUDNBSSA-N 1 0 291.355 -0.359 20 70 CBIDRO NC(=O)NC(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161308060 351974589 /nfs/dbraw/zinc/97/45/89/351974589.db2.gz PTYOEYGIICTYBC-UHFFFAOYSA-N 1 0 263.301 -0.602 20 70 CBIDRO CNC(=O)NC(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161319709 351974862 /nfs/dbraw/zinc/97/48/62/351974862.db2.gz XMYUTZAHLDDLOS-UHFFFAOYSA-N 1 0 277.328 -0.341 20 70 CBIDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)CC1CCOCC1 ZINC000161428629 351975141 /nfs/dbraw/zinc/97/51/41/351975141.db2.gz BANNBUDLEOBJBX-GFCCVEGCSA-N 1 0 294.417 -0.355 20 70 CBIDRO CCCN(C)S(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000161473725 351975169 /nfs/dbraw/zinc/97/51/69/351975169.db2.gz MUSWBYPGBYFSKR-JTQLQIEISA-N 1 0 267.395 -0.525 20 70 CBIDRO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCN(C2CCC2)CC1 ZINC000218543460 352235208 /nfs/dbraw/zinc/23/52/08/352235208.db2.gz FXQPDYPRFCWJIJ-VXGBXAGGSA-N 1 0 253.346 -0.594 20 70 CBIDRO CN(C(=O)[C@@H]1CCCN1C)[C@H]1CCS(=O)(=O)C1 ZINC000216660572 352231391 /nfs/dbraw/zinc/23/13/91/352231391.db2.gz TZVKJLXKBYJCSL-UWVGGRQHSA-N 1 0 260.359 -0.274 20 70 CBIDRO NC(=O)CN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000217056058 352232783 /nfs/dbraw/zinc/23/27/83/352232783.db2.gz WBUBCCMIMJEETL-WDEREUQCSA-N 1 0 268.361 -0.948 20 70 CBIDRO CCC([NH3+])(CC)CNC(=O)CN(C)S(=O)(=O)CC ZINC000160464965 188474870 /nfs/dbraw/zinc/47/48/70/188474870.db2.gz VMESMNIGEUQLQV-UHFFFAOYSA-N 1 0 279.406 -0.098 20 70 CBIDRO C[N@H+](CCNS(C)(=O)=O)C[C@@H]1CCC[C@@H]1O ZINC000159536288 207390365 /nfs/dbraw/zinc/39/03/65/207390365.db2.gz GBEBRCZOVDJOPH-UWVGGRQHSA-N 1 0 250.364 -0.372 20 70 CBIDRO CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)NCC(C)(C)[NH3+] ZINC000160051823 207391040 /nfs/dbraw/zinc/39/10/40/207391040.db2.gz VBRUCLVRUMENQQ-RKDXNWHRSA-N 1 0 279.406 -0.196 20 70 CBIDRO CC[NH+]1CCN(CC(=O)N2CCC[C@H]2C[NH3+])CC1 ZINC000160322786 207392950 /nfs/dbraw/zinc/39/29/50/207392950.db2.gz IUMKXZYZUGUEPM-LBPRGKRZSA-N 1 0 254.378 -0.426 20 70 CBIDRO CNC(=O)CN1CCC(NC(=O)[C@H]2CCCCO2)CC1 ZINC000161423945 207393430 /nfs/dbraw/zinc/39/34/30/207393430.db2.gz VSBDZXHGNHBYKX-GFCCVEGCSA-N 1 0 283.372 -0.118 20 70 CBIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CN2CSCC2=O)C1 ZINC000161356064 544476042 /nfs/dbraw/zinc/47/60/42/544476042.db2.gz BWYMVAFHYKPGGR-BDAKNGLRSA-N 1 0 257.359 -0.095 20 70 CBIDRO NC(=O)N1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159985840 279566105 /nfs/dbraw/zinc/56/61/05/279566105.db2.gz SYLTVOLIPNWALT-AXFHLTTASA-N 1 0 266.345 -0.118 20 70 CBIDRO CC(C)C[C@H](CO)NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000161089061 328128775 /nfs/dbraw/zinc/12/87/75/328128775.db2.gz WVERLWBQPLMASL-QWHCGFSZSA-N 1 0 299.415 -0.080 20 70 CBIDRO CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000159388530 351963216 /nfs/dbraw/zinc/96/32/16/351963216.db2.gz AERGQCWAZONWEI-ZWNOBZJWSA-N 1 0 293.371 -0.031 20 70 CBIDRO Cn1cc(N2CCN(C(=O)[C@@H]3CC[C@@H]([NH3+])C3)CC2=O)cn1 ZINC000159386270 351963269 /nfs/dbraw/zinc/96/32/69/351963269.db2.gz IMDCHZYVMPWROV-GHMZBOCLSA-N 1 0 291.355 -0.277 20 70 CBIDRO COC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)OC ZINC000159430086 351963642 /nfs/dbraw/zinc/96/36/42/351963642.db2.gz OJPWZZQNGZIQSB-RYUDHWBXSA-N 1 0 280.324 -0.139 20 70 CBIDRO Cn1cc(N2CC[C@@H](NC(=O)C[C@@H]3CCC[NH2+]3)C2=O)cn1 ZINC000159613899 351964354 /nfs/dbraw/zinc/96/43/54/351964354.db2.gz OUUADRAHRJDNQQ-CMPLNLGQSA-N 1 0 291.355 -0.216 20 70 CBIDRO COC(=O)CNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159578495 351964799 /nfs/dbraw/zinc/96/47/99/351964799.db2.gz BHNSPBWQDAZZTB-DCAQKATOSA-N 1 0 272.345 -0.243 20 70 CBIDRO C[N@@H+](CC(=O)N1CCNC1=O)C[C@@H]1CCC[C@@H]1O ZINC000159754935 351965143 /nfs/dbraw/zinc/96/51/43/351965143.db2.gz RFZHGLDBYHEACD-UWVGGRQHSA-N 1 0 255.318 -0.369 20 70 CBIDRO COC(=O)CNC(=O)CC[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159788371 351965880 /nfs/dbraw/zinc/96/58/80/351965880.db2.gz HKRRBBVLAUCPEO-QWRGUYRKSA-N 1 0 272.345 -0.242 20 70 CBIDRO CCNC(=O)NC(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159673215 351965985 /nfs/dbraw/zinc/96/59/85/351965985.db2.gz ICGZPHHZDLNISB-ZJUUUORDSA-N 1 0 257.334 -0.075 20 70 CBIDRO CS(=O)(=O)NCCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159752414 351966057 /nfs/dbraw/zinc/96/60/57/351966057.db2.gz YWPMEEDWIMGGNM-AOOOYVTPSA-N 1 0 275.374 -0.721 20 70 CBIDRO COC[C@@H](O)CNC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000159943277 351967153 /nfs/dbraw/zinc/96/71/53/351967153.db2.gz IASWLLNCBFYHGU-ZJUUUORDSA-N 1 0 262.375 -0.453 20 70 CBIDRO COC(=O)[C@H]1C[C@H]1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000159958204 351967766 /nfs/dbraw/zinc/96/77/66/351967766.db2.gz CEGBDEQHUGINSF-TUAOUCFPSA-N 1 0 284.356 -0.242 20 70 CBIDRO CC[NH+](CC)[C@H](C)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC000159973656 351967785 /nfs/dbraw/zinc/96/77/85/351967785.db2.gz WOZAULSSXOYPNV-BDAKNGLRSA-N 1 0 270.333 -0.569 20 70 CBIDRO CC(=O)N1CCN(C(=O)CN(C)[C@@H](C[NH3+])C2CC2)CC1 ZINC000160084215 351967922 /nfs/dbraw/zinc/96/79/22/351967922.db2.gz YNWKXVBCGMTBEF-ZDUSSCGKSA-N 1 0 282.388 -0.654 20 70 CBIDRO CCS(=O)(=O)C[C@H](C)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000160094733 351968238 /nfs/dbraw/zinc/96/82/38/351968238.db2.gz JLNBJEWESVBUIN-VHSXEESVSA-N 1 0 262.375 -0.075 20 70 CBIDRO CNS(=O)(=O)c1ccc(C(=O)NCC(C)(C)[NH3+])o1 ZINC000160115366 351969428 /nfs/dbraw/zinc/96/94/28/351969428.db2.gz HQQVVFCZYMTGDG-UHFFFAOYSA-N 1 0 275.330 -0.345 20 70 CBIDRO CNC(=O)[C@@H](C)NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160384225 351970446 /nfs/dbraw/zinc/97/04/46/351970446.db2.gz UHXUKTHRQQVNSY-DLVJRCHESA-N 1 0 283.372 -0.230 20 70 CBIDRO O=C(N[C@@H]1CC(=O)N(C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000160821805 351972277 /nfs/dbraw/zinc/97/22/77/351972277.db2.gz WYFJNMWILKXUAW-NXEZZACHSA-N 1 0 251.330 -0.135 20 70 CBIDRO CSCC[C@H]([NH3+])C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000160822749 351972362 /nfs/dbraw/zinc/97/23/62/351972362.db2.gz FRDDKOXNEREUMW-WPRPVWTQSA-N 1 0 271.386 -0.054 20 70 CBIDRO COCC[NH2+]CC(=O)N[C@H]1CCCC[C@H]1C(N)=O ZINC000160872804 351972551 /nfs/dbraw/zinc/97/25/51/351972551.db2.gz ZDODXKXRTLUFPH-ZJUUUORDSA-N 1 0 257.334 -0.617 20 70 CBIDRO C[NH2+][C@@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)C1 ZINC000160785457 351972663 /nfs/dbraw/zinc/97/26/63/351972663.db2.gz HGIONTQJRBOGTG-SNVBAGLBSA-N 1 0 275.312 -0.684 20 70 CBIDRO C[NH2+][C@@H]1CCN(C(=O)CN(C)c2ncnc3nc[nH]c32)C1 ZINC000160788993 351972804 /nfs/dbraw/zinc/97/28/04/351972804.db2.gz WNYYZRZNIBPLML-SECBINFHSA-N 1 0 289.343 -0.391 20 70 CBIDRO CC(C)[C@H]([NH3+])C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000161028940 351973336 /nfs/dbraw/zinc/97/33/36/351973336.db2.gz NGAOIGRQDCZIRW-IUCAKERBSA-N 1 0 263.363 -0.880 20 70 CBIDRO COCCN(CC[NH+](C)C)C(=O)C(=O)Nc1nocc1C ZINC000161076698 351974043 /nfs/dbraw/zinc/97/40/43/351974043.db2.gz ULGUFUMWXPBHTL-UHFFFAOYSA-N 1 0 298.343 -0.042 20 70 CBIDRO C[C@H](C(=O)NC(N)=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161340116 351974488 /nfs/dbraw/zinc/97/44/88/351974488.db2.gz XLJXPTJPANLLPX-SNVBAGLBSA-N 1 0 277.328 -0.213 20 70 CBIDRO Cn1cc(N2CCN(C(=O)[C@@H]3CC[C@H]([NH3+])C3)CC2=O)cn1 ZINC000159386041 188422649 /nfs/dbraw/zinc/42/26/49/188422649.db2.gz IMDCHZYVMPWROV-MNOVXSKESA-N 1 0 291.355 -0.277 20 70 CBIDRO CCC(=O)N1CSC[C@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160214618 188460019 /nfs/dbraw/zinc/46/00/19/188460019.db2.gz BCKRHSBQFDLFIB-BDAKNGLRSA-N 1 0 257.359 -0.143 20 70 CBIDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C[C@@H]1NC(=O)NC1=O ZINC000159652620 372817646 /nfs/dbraw/zinc/81/76/46/372817646.db2.gz WCWLXGJNZJYPOP-ZJUUUORDSA-N 1 0 282.344 -0.615 20 70 CBIDRO CC[N@H+](C)CCNC(=O)NCCN1C(=O)CCC1=O ZINC000217190056 372867352 /nfs/dbraw/zinc/86/73/52/372867352.db2.gz YCLWQQOEYFRXKW-UHFFFAOYSA-N 1 0 270.333 -0.614 20 70 CBIDRO CC(C)N1C[C@@H](NC(=O)NCC[NH+](C)C)CC1=O ZINC000217288773 220235779 /nfs/dbraw/zinc/23/57/79/220235779.db2.gz DIEYFWFJZBBHIX-JTQLQIEISA-N 1 0 256.350 -0.144 20 70 CBIDRO NC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCCC[C@@H]2CO)C1 ZINC000159888694 207389139 /nfs/dbraw/zinc/38/91/39/207389139.db2.gz KYYRUSOMCYCADU-VXGBXAGGSA-N 1 0 283.372 -0.443 20 70 CBIDRO CS(=O)(=O)N[C@H]1CCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000159395034 207390837 /nfs/dbraw/zinc/39/08/37/207390837.db2.gz QLTPURKXKDPKEO-JTQLQIEISA-N 1 0 289.401 -0.344 20 70 CBIDRO CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000159396673 207391024 /nfs/dbraw/zinc/39/10/24/207391024.db2.gz QVQFSSMPEJGFIV-UTLUCORTSA-N 1 0 277.390 -0.490 20 70 CBIDRO C[C@@H](C(N)=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000160594997 207392610 /nfs/dbraw/zinc/39/26/10/207392610.db2.gz UANJKCDRGDRAQS-QWRGUYRKSA-N 1 0 268.361 -0.901 20 70 CBIDRO CCN(C)S(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000161417718 207392880 /nfs/dbraw/zinc/39/28/80/207392880.db2.gz UCILAYDOMPEWEI-VIFPVBQESA-N 1 0 253.368 -0.915 20 70 CBIDRO CNC(=O)CN1CCC(NC(=O)[C@@H]2CCCCO2)CC1 ZINC000161423817 207393513 /nfs/dbraw/zinc/39/35/13/207393513.db2.gz VSBDZXHGNHBYKX-LBPRGKRZSA-N 1 0 283.372 -0.118 20 70 CBIDRO COC[C@@H](C)S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000161467303 207393613 /nfs/dbraw/zinc/39/36/13/207393613.db2.gz QHTCZRGQIZHQOD-NXEZZACHSA-N 1 0 268.379 -0.747 20 70 CBIDRO COC[C@H](C)S(=O)(=O)N1CCN(CC(C)(C)O)CC1 ZINC000160826315 207393699 /nfs/dbraw/zinc/39/36/99/207393699.db2.gz BZRCMYYFNRHPJY-NSHDSACASA-N 1 0 294.417 -0.260 20 70 CBIDRO CCN(CC)S(=O)(=O)CC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000160807481 207393743 /nfs/dbraw/zinc/39/37/43/207393743.db2.gz DAPPNEXFFDBPEZ-JTQLQIEISA-N 1 0 277.390 -0.522 20 70 CBIDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)CCCF ZINC000161509762 207393837 /nfs/dbraw/zinc/39/38/37/207393837.db2.gz RKVPGASAPSGFIB-SECBINFHSA-N 1 0 256.343 -0.422 20 70 CBIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCN2C(=O)CCC2=O)C1 ZINC000160896918 544475279 /nfs/dbraw/zinc/47/52/79/544475279.db2.gz PIITZHONHVEXQW-UWVGGRQHSA-N 1 0 267.329 -0.088 20 70 CBIDRO CC1(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C[NH2+]C1 ZINC000161093029 544475526 /nfs/dbraw/zinc/47/55/26/544475526.db2.gz YKWKHUJMMKPAIL-UHFFFAOYSA-N 1 0 299.352 -0.349 20 70 CBIDRO CC1(OCC(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)C[NH2+]C1 ZINC000161223067 544475555 /nfs/dbraw/zinc/47/55/55/544475555.db2.gz RKALZKVWZLFKRB-MNOVXSKESA-N 1 0 281.356 -0.508 20 70 CBIDRO CC1(OCC(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)C[NH2+]C1 ZINC000161222940 544476291 /nfs/dbraw/zinc/47/62/91/544476291.db2.gz RKALZKVWZLFKRB-GHMZBOCLSA-N 1 0 281.356 -0.508 20 70 CBIDRO CC(C)[C@@H](C(=O)N1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC000160080486 279768460 /nfs/dbraw/zinc/76/84/60/279768460.db2.gz CEQRCVZRUUILPP-NSHDSACASA-N 1 0 291.417 -0.324 20 70 CBIDRO C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000159749905 297697089 /nfs/dbraw/zinc/69/70/89/297697089.db2.gz HAXLQEAONPOZHG-BBBLOLIVSA-N 1 0 276.358 -0.991 20 70 CBIDRO COC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000159437100 327191218 /nfs/dbraw/zinc/19/12/18/327191218.db2.gz JBGOOSKZMOBIPC-JTQLQIEISA-N 1 0 255.318 -0.103 20 70 CBIDRO O=C(CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1CCOCC1 ZINC000160353349 526383494 /nfs/dbraw/zinc/38/34/94/526383494.db2.gz CKXIBRLBPMJXGK-BETUJISGSA-N 1 0 295.383 -0.022 20 70 CBIDRO CS(=O)(=O)N[C@@H]1CCN(C(=O)C[NH2+]CC2CC2)C1 ZINC000159395957 351963193 /nfs/dbraw/zinc/96/31/93/351963193.db2.gz FNUBVZJMGQXBCQ-SNVBAGLBSA-N 1 0 275.374 -0.864 20 70 CBIDRO CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@H](C)O)CC1 ZINC000159429859 351963293 /nfs/dbraw/zinc/96/32/93/351963293.db2.gz KHZVKQFMZIJLHK-QWRGUYRKSA-N 1 0 271.361 -0.622 20 70 CBIDRO CCN1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@@H](C)O)CC1 ZINC000159424238 351963524 /nfs/dbraw/zinc/96/35/24/351963524.db2.gz CTHVUPYFIHEHFM-VXGBXAGGSA-N 1 0 257.378 -0.148 20 70 CBIDRO O=C(Cn1nc2n(c1=O)CCCCC2)N1CC[NH2+]CC1 ZINC000159443594 351963592 /nfs/dbraw/zinc/96/35/92/351963592.db2.gz FTTASYPIJGKFRX-UHFFFAOYSA-N 1 0 279.344 -0.797 20 70 CBIDRO C[C@H]([NH3+])C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000159670806 351964371 /nfs/dbraw/zinc/96/43/71/351964371.db2.gz JTVAARNKLUDHMJ-QMMMGPOBSA-N 1 0 263.363 -0.831 20 70 CBIDRO COC(=O)CNC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159838800 351967263 /nfs/dbraw/zinc/96/72/63/351967263.db2.gz OTZPNXCQDNPEAO-UWVGGRQHSA-N 1 0 258.318 -0.632 20 70 CBIDRO [NH3+][C@H](Cc1ccccc1)C(=O)NCCN1C(=O)CNC1=O ZINC000160067694 351967660 /nfs/dbraw/zinc/96/76/60/351967660.db2.gz UDGKZNCDTQQZBF-LLVKDONJSA-N 1 0 290.323 -0.776 20 70 CBIDRO C[C@@H]1CN(C(=O)CN2CCO[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000160030132 351968096 /nfs/dbraw/zinc/96/80/96/351968096.db2.gz CNUYOUMOXDFEFP-GRYCIOLGSA-N 1 0 271.361 -0.718 20 70 CBIDRO CS(=O)(=O)N1CCC[C@H](C(=O)NCCC[NH3+])C1 ZINC000160028243 351968172 /nfs/dbraw/zinc/96/81/72/351968172.db2.gz DGPRYLYLSZZTHJ-VIFPVBQESA-N 1 0 263.363 -0.877 20 70 CBIDRO [NH3+]CCCNC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000160139614 351968781 /nfs/dbraw/zinc/96/87/81/351968781.db2.gz XFUCDTRGFPARTL-NXEZZACHSA-N 1 0 267.329 -0.373 20 70 CBIDRO NC(=O)c1ccc(OCC(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000160260974 351968931 /nfs/dbraw/zinc/96/89/31/351968931.db2.gz RAHHGZQSWDSLSM-SNVBAGLBSA-N 1 0 263.297 -0.276 20 70 CBIDRO Cn1ccc(C(=O)NCC2CC[NH+](CCO)CC2)cc1=O ZINC000160541098 351970983 /nfs/dbraw/zinc/97/09/83/351970983.db2.gz FROCIOKTHFIETI-UHFFFAOYSA-N 1 0 293.367 -0.181 20 70 CBIDRO C[NH+](C)CCN1C[C@@H](C(=O)N[C@H]2CCC[C@@H]2O)CC1=O ZINC000161261158 351973812 /nfs/dbraw/zinc/97/38/12/351973812.db2.gz JTSKLJZGVJJCDT-SRVKXCTJSA-N 1 0 283.372 -0.574 20 70 CBIDRO Cn1cc(N2CCN(C(=O)[C@H]3CCCC[NH2+]3)CC2=O)cn1 ZINC000161023244 351973855 /nfs/dbraw/zinc/97/38/55/351973855.db2.gz CAHAWPPEIPHEGA-GFCCVEGCSA-N 1 0 291.355 -0.263 20 70 CBIDRO Cc1noc(C)c1S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000161479791 351975018 /nfs/dbraw/zinc/97/50/18/351975018.db2.gz YAFVIKMJSBDZJK-LLVKDONJSA-N 1 0 291.373 -0.118 20 70 CBIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CN(C)S(C)(=O)=O ZINC000161276130 351975114 /nfs/dbraw/zinc/97/51/14/351975114.db2.gz VAWZJOQGKSQZOS-VIFPVBQESA-N 1 0 263.363 -0.912 20 70 CBIDRO COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](C)[NH3+] ZINC000217052064 352232362 /nfs/dbraw/zinc/23/23/62/352232362.db2.gz SNKIJYNOTQPHAR-BDAKNGLRSA-N 1 0 273.333 -0.846 20 70 CBIDRO CCC1(CC)NC(=O)N(CC(=O)NCC(C)(C)[NH3+])C1=O ZINC000160077483 188454599 /nfs/dbraw/zinc/45/45/99/188454599.db2.gz DXERHIFALDRHSB-UHFFFAOYSA-N 1 0 284.360 -0.050 20 70 CBIDRO CC[NH+]1CCN(CCNC(=O)c2ccc(OC)nn2)CC1 ZINC000160080888 188454742 /nfs/dbraw/zinc/45/47/42/188454742.db2.gz YZUXETCRFFQVRG-UHFFFAOYSA-N 1 0 293.371 -0.148 20 70 CBIDRO [NH3+][C@@H]1CCN(C(=O)Cn2c3ccccc3[nH]c2=O)C1 ZINC000160312747 188465925 /nfs/dbraw/zinc/46/59/25/188465925.db2.gz JWCWTGKFSFVKRQ-SECBINFHSA-N 1 0 260.297 -0.111 20 70 CBIDRO C[C@@H]1CN(C(=O)CN2CCO[C@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000160030393 188451740 /nfs/dbraw/zinc/45/17/40/188451740.db2.gz CNUYOUMOXDFEFP-IJLUTSLNSA-N 1 0 271.361 -0.718 20 70 CBIDRO CCn1cc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)cn1 ZINC000161442578 188528244 /nfs/dbraw/zinc/52/82/44/188528244.db2.gz CHVSRYXMYWWSIB-LLVKDONJSA-N 1 0 290.389 -0.506 20 70 CBIDRO CCCNC(=O)CN(C)C(=O)CN(C)[C@@H](C[NH3+])C1CC1 ZINC000160147949 283363397 /nfs/dbraw/zinc/36/33/97/283363397.db2.gz SZPQBEZGOULFJO-LBPRGKRZSA-N 1 0 284.404 -0.360 20 70 CBIDRO [NH3+][C@@H]1CCN(C(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)C1 ZINC000160299720 372816354 /nfs/dbraw/zinc/81/63/54/372816354.db2.gz XWAZODGFISFHSN-MXWKQRLJSA-N 1 0 279.340 -0.279 20 70 CBIDRO CC[C@@H](C)[N@H+](C)CCNCc1cn(C)c(=O)n(C)c1=O ZINC000217393997 220235623 /nfs/dbraw/zinc/23/56/23/220235623.db2.gz FURDIMHCQORIPD-LLVKDONJSA-N 1 0 282.388 -0.096 20 70 CBIDRO O=C(CN1CCCCC1=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160069306 207389972 /nfs/dbraw/zinc/38/99/72/207389972.db2.gz WPTVCXHKOBFLSL-CYBMUJFWSA-N 1 0 297.399 -0.038 20 70 CBIDRO CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)NCC(C)(C)[NH3+] ZINC000160051702 207391341 /nfs/dbraw/zinc/39/13/41/207391341.db2.gz VBRUCLVRUMENQQ-IUCAKERBSA-N 1 0 279.406 -0.196 20 70 CBIDRO CCC([NH3+])(CC)CNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000160526568 207391838 /nfs/dbraw/zinc/39/18/38/207391838.db2.gz NQKPLYHBBVTOBS-UHFFFAOYSA-N 1 0 284.360 -0.050 20 70 CBIDRO C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000160640688 207392628 /nfs/dbraw/zinc/39/26/28/207392628.db2.gz KEKXLJMALRGTSN-NEPJUHHUSA-N 1 0 282.388 -0.783 20 70 CBIDRO COCC[NH2+]CC(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C ZINC000159750972 285074662 /nfs/dbraw/zinc/07/46/62/285074662.db2.gz AQISGKZVQQNOFE-NXEZZACHSA-N 1 0 278.374 -0.744 20 70 CBIDRO CN(C)C(=O)NCCNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000160844747 544475271 /nfs/dbraw/zinc/47/52/71/544475271.db2.gz XMOSWDJWWNJAQH-SNVBAGLBSA-N 1 0 296.293 -0.084 20 70 CBIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CN2CSCC2=O)C1 ZINC000161355815 544475429 /nfs/dbraw/zinc/47/54/29/544475429.db2.gz BWYMVAFHYKPGGR-RKDXNWHRSA-N 1 0 257.359 -0.095 20 70 CBIDRO CCN1CCN(CC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C(=O)C1=O ZINC000161500214 544475519 /nfs/dbraw/zinc/47/55/19/544475519.db2.gz IBZKYALPDTYANW-GHMZBOCLSA-N 1 0 296.371 -0.937 20 70 CBIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC000160879699 544475609 /nfs/dbraw/zinc/47/56/09/544475609.db2.gz NNHPKFKUTZYFIV-WDEREUQCSA-N 1 0 289.339 -0.118 20 70 CBIDRO CCN1CCN(CC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C(=O)C1=O ZINC000161499977 544475667 /nfs/dbraw/zinc/47/56/67/544475667.db2.gz IBZKYALPDTYANW-WDEREUQCSA-N 1 0 296.371 -0.937 20 70 CBIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC000160879967 544475709 /nfs/dbraw/zinc/47/57/09/544475709.db2.gz NNHPKFKUTZYFIV-GHMZBOCLSA-N 1 0 289.339 -0.118 20 70 CBIDRO CC1(OCC(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)C[NH2+]C1 ZINC000161223295 544475959 /nfs/dbraw/zinc/47/59/59/544475959.db2.gz RKALZKVWZLFKRB-QWRGUYRKSA-N 1 0 281.356 -0.508 20 70 CBIDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)CC[C@@H]1CCCO1 ZINC000161445587 544476315 /nfs/dbraw/zinc/47/63/15/544476315.db2.gz XIKINRMEDWWVNK-NWDGAFQWSA-N 1 0 294.417 -0.213 20 70 CBIDRO CC(C)N1C[C@H](NC(=O)N2CC[NH2+]CC2)CC1=O ZINC000217287843 260092827 /nfs/dbraw/zinc/09/28/27/260092827.db2.gz ODHNFDNQGLPNMM-SNVBAGLBSA-N 1 0 254.334 -0.390 20 70 CBIDRO C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000159749604 289022910 /nfs/dbraw/zinc/02/29/10/289022910.db2.gz HAXLQEAONPOZHG-UTLUCORTSA-N 1 0 276.358 -0.991 20 70 CBIDRO COC[C@H]([NH3+])C(=O)NC[C@@H](CC(C)C)N1CCOCC1 ZINC000159411836 293118136 /nfs/dbraw/zinc/11/81/36/293118136.db2.gz DBEFPBZKARIGOL-OLZOCXBDSA-N 1 0 287.404 -0.177 20 70 CBIDRO COC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000159437240 327191025 /nfs/dbraw/zinc/19/10/25/327191025.db2.gz JBGOOSKZMOBIPC-SNVBAGLBSA-N 1 0 255.318 -0.103 20 70 CBIDRO CNC(=O)c1cncc(/C=C/C(=O)N2CC[NH2+]CC2)c1 ZINC000159452450 327195799 /nfs/dbraw/zinc/19/57/99/327195799.db2.gz YLMFBEHADMUJNY-NSCUHMNNSA-N 1 0 274.324 -0.114 20 70 CBIDRO CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000159396786 521948560 /nfs/dbraw/zinc/94/85/60/521948560.db2.gz QVQFSSMPEJGFIV-GUBZILKMSA-N 1 0 277.390 -0.490 20 70 CBIDRO CC[NH+](CC)CCNC(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000161483754 520671512 /nfs/dbraw/zinc/67/15/12/520671512.db2.gz YJUPCTOUDNYQQE-NSHDSACASA-N 1 0 283.376 -0.253 20 70 CBIDRO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000159388650 351963284 /nfs/dbraw/zinc/96/32/84/351963284.db2.gz AERGQCWAZONWEI-GXFFZTMASA-N 1 0 293.371 -0.031 20 70 CBIDRO COC[C@@H]([NH3+])C(=O)NC[C@H](CC(C)C)N1CCOCC1 ZINC000159411423 351963420 /nfs/dbraw/zinc/96/34/20/351963420.db2.gz DBEFPBZKARIGOL-QWHCGFSZSA-N 1 0 287.404 -0.177 20 70 CBIDRO COC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000159434612 351963502 /nfs/dbraw/zinc/96/35/02/351963502.db2.gz LLIBLFYUMUKPOW-ZDUSSCGKSA-N 1 0 291.351 -0.055 20 70 CBIDRO O=C([C@@H]1CCCO1)N1CCCC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000159419603 351963584 /nfs/dbraw/zinc/96/35/84/351963584.db2.gz AUYQBAHTPUOXBL-STQMWFEESA-N 1 0 295.383 -0.022 20 70 CBIDRO CCS(=O)(=O)C[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C ZINC000160095592 351968828 /nfs/dbraw/zinc/96/88/28/351968828.db2.gz HDHNYAXZRBRQNP-IUCAKERBSA-N 1 0 250.364 -0.091 20 70 CBIDRO CCC([NH3+])(CC)CNC(=O)CN1C(=O)CN(C)C1=O ZINC000160445208 351970465 /nfs/dbraw/zinc/97/04/65/351970465.db2.gz JATIHIYCVZYPDN-UHFFFAOYSA-N 1 0 270.333 -0.486 20 70 CBIDRO O=C(CCn1nc2ccccn2c1=O)N1CCC[NH2+]CC1 ZINC000160821597 351972947 /nfs/dbraw/zinc/97/29/47/351972947.db2.gz NWXVAMWSQBHANF-UHFFFAOYSA-N 1 0 289.339 -0.292 20 70 CBIDRO CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000161029202 351973740 /nfs/dbraw/zinc/97/37/40/351973740.db2.gz NGAOIGRQDCZIRW-BDAKNGLRSA-N 1 0 263.363 -0.880 20 70 CBIDRO CCC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000161141251 351974025 /nfs/dbraw/zinc/97/40/25/351974025.db2.gz KUIKKKDBYCIBJM-WDEREUQCSA-N 1 0 279.344 -0.231 20 70 CBIDRO Cn1cc(N2CCN(C(=O)[C@@H]3CCC[NH2+]C3)CC2=O)cn1 ZINC000161024312 351974064 /nfs/dbraw/zinc/97/40/64/351974064.db2.gz RUZNXNQWNBFPOU-LLVKDONJSA-N 1 0 291.355 -0.405 20 70 CBIDRO CC(=O)N1CCN(C(=O)CN(C)[C@H](C[NH3+])C2CC2)CC1 ZINC000160084354 188454527 /nfs/dbraw/zinc/45/45/27/188454527.db2.gz YNWKXVBCGMTBEF-CYBMUJFWSA-N 1 0 282.388 -0.654 20 70 CBIDRO C[C@H](C(=O)N(C)CC(=O)NCCC[NH3+])n1cccn1 ZINC000160144620 188456833 /nfs/dbraw/zinc/45/68/33/188456833.db2.gz WAOWPVRDVGKHKR-SNVBAGLBSA-N 1 0 267.333 -0.633 20 70 CBIDRO O=C(N[C@@H]1CCCN(c2ncccn2)C1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000217906456 284026703 /nfs/dbraw/zinc/02/67/03/284026703.db2.gz AGFOJPXEEAEOKS-IJLUTSLNSA-N 1 0 291.355 -0.716 20 70 CBIDRO NC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CCCC[C@@H]2CCO)C1 ZINC000217628117 220235439 /nfs/dbraw/zinc/23/54/39/220235439.db2.gz BFMZOULQLGVZLO-CHWSQXEVSA-N 1 0 297.399 -0.053 20 70 CBIDRO O=C(NCc1ccccc1OCCO)[C@H]1C[NH2+]CCO1 ZINC000159810885 207389201 /nfs/dbraw/zinc/38/92/01/207389201.db2.gz GXUCMUBMVYAUED-CYBMUJFWSA-N 1 0 280.324 -0.338 20 70 CBIDRO C[N@@H+](CC(=O)N1CCNC(=O)C1)C[C@@H]1CCC[C@@H]1O ZINC000159815318 207390128 /nfs/dbraw/zinc/39/01/28/207390128.db2.gz TYHJLPIWCZYLMU-QWRGUYRKSA-N 1 0 269.345 -0.962 20 70 CBIDRO [NH3+]C[C@@H]1CCCN1C(=O)Cn1nnc2ccccc2c1=O ZINC000160381565 207392153 /nfs/dbraw/zinc/39/21/53/207392153.db2.gz PLFVQZTVXSJJEL-JTQLQIEISA-N 1 0 287.323 -0.259 20 70 CBIDRO COc1ccc(C(=O)NCC(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000160297939 207392508 /nfs/dbraw/zinc/39/25/08/207392508.db2.gz WRYSFVKBBHCGBL-LLVKDONJSA-N 1 0 277.324 -0.015 20 70 CBIDRO CC[NH+]1CCN(CC(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000160322702 207393330 /nfs/dbraw/zinc/39/33/30/207393330.db2.gz IUMKXZYZUGUEPM-GFCCVEGCSA-N 1 0 254.378 -0.426 20 70 CBIDRO CCC(=O)N1CC[C@@H](C(=O)NCC[N@H+](C)CCOC)C1 ZINC000161451941 207393475 /nfs/dbraw/zinc/39/34/75/207393475.db2.gz LTRMHKZEYUIJQN-GFCCVEGCSA-N 1 0 285.388 -0.061 20 70 CBIDRO Cn1cc(N2CC[C@H](NC(=O)CC3([NH3+])CCC3)C2=O)cn1 ZINC000159614287 544473694 /nfs/dbraw/zinc/47/36/94/544473694.db2.gz NWMYJDUPQIRNQB-NSHDSACASA-N 1 0 291.355 -0.087 20 70 CBIDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)CC[C@H]1CCCO1 ZINC000161445859 544475873 /nfs/dbraw/zinc/47/58/73/544475873.db2.gz XIKINRMEDWWVNK-VXGBXAGGSA-N 1 0 294.417 -0.213 20 70 CBIDRO CC1(C)C(=O)NC(=O)N1CC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000160832500 544476172 /nfs/dbraw/zinc/47/61/72/544476172.db2.gz YVXQFOHWODCHSK-BDAKNGLRSA-N 1 0 282.344 -0.297 20 70 CBIDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)CC[C@H]1CCCO1 ZINC000161445991 544476361 /nfs/dbraw/zinc/47/63/61/544476361.db2.gz XIKINRMEDWWVNK-NEPJUHHUSA-N 1 0 294.417 -0.213 20 70 CBIDRO O=C([C@@H]1CC(=O)N(c2cn[nH]c2)C1)N1CC[NH2+]CC1 ZINC000159379257 275003314 /nfs/dbraw/zinc/00/33/14/275003314.db2.gz CEIVWHMWPMALKS-SECBINFHSA-N 1 0 263.301 -0.806 20 70 CBIDRO COCC[NH2+]CC(=O)N1CCS(=O)(=O)[C@@H](C)[C@@H]1C ZINC000159750842 277229325 /nfs/dbraw/zinc/22/93/25/277229325.db2.gz AQISGKZVQQNOFE-UWVGGRQHSA-N 1 0 278.374 -0.744 20 70 CBIDRO C[NH+](C)C[C@@](C)(O)CNC(=O)CS(=O)(=O)C(C)(C)C ZINC000160101252 327656334 /nfs/dbraw/zinc/65/63/34/327656334.db2.gz MDPMKFXABUZMLE-LBPRGKRZSA-N 1 0 294.417 -0.372 20 70 CBIDRO CN(C)C(=O)NCCNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000160854352 328089229 /nfs/dbraw/zinc/08/92/29/328089229.db2.gz MTNCZQXJDOACSM-GFCCVEGCSA-N 1 0 278.356 -0.056 20 70 CBIDRO CC(C)[C@@H]([NH3+])C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000161029067 328118273 /nfs/dbraw/zinc/11/82/73/328118273.db2.gz NGAOIGRQDCZIRW-DTWKUNHWSA-N 1 0 263.363 -0.880 20 70 CBIDRO COC[C@H]([NH3+])C(=O)NC[C@H](CC(C)C)N1CCOCC1 ZINC000159411712 351963199 /nfs/dbraw/zinc/96/31/99/351963199.db2.gz DBEFPBZKARIGOL-STQMWFEESA-N 1 0 287.404 -0.177 20 70 CBIDRO CNS(=O)(=O)c1cc(C(=O)N2CC[NH2+]CC2)c(C)o1 ZINC000159408083 351963347 /nfs/dbraw/zinc/96/33/47/351963347.db2.gz CYYDCLGNWPAXAS-UHFFFAOYSA-N 1 0 287.341 -0.458 20 70 CBIDRO CC[C@@H](C(N)=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159410540 351963429 /nfs/dbraw/zinc/96/34/29/351963429.db2.gz WYZUERQFQSRPDU-NWDGAFQWSA-N 1 0 282.388 -0.336 20 70 CBIDRO Cn1cc(N2CCN(C(=O)[C@@H]3CC[NH2+]C3)CC2=O)cn1 ZINC000159389116 351963623 /nfs/dbraw/zinc/96/36/23/351963623.db2.gz KQQBHPVYNIPFQC-SNVBAGLBSA-N 1 0 277.328 -0.795 20 70 CBIDRO CCS(=O)(=O)N(C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159400403 351963654 /nfs/dbraw/zinc/96/36/54/351963654.db2.gz GWMKNLBTDLQERS-PHIMTYICSA-N 1 0 289.401 -0.379 20 70 CBIDRO CC[N@@H+]1CCCN(C(=O)NCCNS(C)(=O)=O)CC1 ZINC000159589117 351964387 /nfs/dbraw/zinc/96/43/87/351964387.db2.gz DHJASBLGRHWAQP-UHFFFAOYSA-N 1 0 292.405 -0.727 20 70 CBIDRO C[C@@H]([NH3+])C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000159671095 351964417 /nfs/dbraw/zinc/96/44/17/351964417.db2.gz JTVAARNKLUDHMJ-MRVPVSSYSA-N 1 0 263.363 -0.831 20 70 CBIDRO Cn1cc(N2CC[C@H](NC(=O)C[C@H]3CCC[NH2+]3)C2=O)cn1 ZINC000159614024 351964627 /nfs/dbraw/zinc/96/46/27/351964627.db2.gz OUUADRAHRJDNQQ-PWSUYJOCSA-N 1 0 291.355 -0.216 20 70 CBIDRO CN1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2ccccc2)C1=O ZINC000159625210 351964886 /nfs/dbraw/zinc/96/48/86/351964886.db2.gz ZPQLLOWTSFNFOD-RYUDHWBXSA-N 1 0 261.325 -0.097 20 70 CBIDRO CCNC(=O)NC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159673079 351965489 /nfs/dbraw/zinc/96/54/89/351965489.db2.gz ICGZPHHZDLNISB-UWVGGRQHSA-N 1 0 257.334 -0.075 20 70 CBIDRO C[N@H+](CCN1C(=O)CNC1=O)C[C@H]1CCC[C@@H]1O ZINC000159788226 351965606 /nfs/dbraw/zinc/96/56/06/351965606.db2.gz DBSYBHSODFPTCU-ZJUUUORDSA-N 1 0 255.318 -0.369 20 70 CBIDRO COCC[NH2+]CC(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C ZINC000159750701 351965669 /nfs/dbraw/zinc/96/56/69/351965669.db2.gz AQISGKZVQQNOFE-ZJUUUORDSA-N 1 0 278.374 -0.744 20 70 CBIDRO CC(C)[C@@H](C(=O)NCCN1C(=O)CNC1=O)[NH+](C)C ZINC000159704360 351965689 /nfs/dbraw/zinc/96/56/89/351965689.db2.gz HDEOIGOIVMBGSC-JTQLQIEISA-N 1 0 270.333 -0.759 20 70 CBIDRO [NH3+]CCCNC(=O)c1nc2ncc(Br)cn2n1 ZINC000160081558 351967954 /nfs/dbraw/zinc/96/79/54/351967954.db2.gz PQZCEHMCZSABQD-UHFFFAOYSA-N 1 0 299.132 -0.035 20 70 CBIDRO C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCC[NH3+] ZINC000160079901 351967958 /nfs/dbraw/zinc/96/79/58/351967958.db2.gz NGGSBGQNGNLHPM-MRVPVSSYSA-N 1 0 291.398 -0.120 20 70 CBIDRO CC(C)([NH3+])CNC(=O)C(C)(C)NS(C)(=O)=O ZINC000160073796 351967995 /nfs/dbraw/zinc/96/79/95/351967995.db2.gz PUBZPDNWZVAVGS-UHFFFAOYSA-N 1 0 251.352 -0.832 20 70 CBIDRO [NH3+][C@@H]1CCN(C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)C1 ZINC000160299861 351968869 /nfs/dbraw/zinc/96/88/69/351968869.db2.gz XWAZODGFISFHSN-VWYCJHECSA-N 1 0 279.340 -0.279 20 70 CBIDRO NS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)o1 ZINC000160279053 351969280 /nfs/dbraw/zinc/96/92/80/351969280.db2.gz LGXBGDWBDHQZSC-DTORHVGOSA-N 1 0 299.352 -0.107 20 70 CBIDRO Cn1cc(N2CCN(C(=O)[C@@H]3CCCC[NH2+]3)CC2=O)cn1 ZINC000161023119 351973387 /nfs/dbraw/zinc/97/33/87/351973387.db2.gz CAHAWPPEIPHEGA-LBPRGKRZSA-N 1 0 291.355 -0.263 20 70 CBIDRO CCC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000161141367 351973564 /nfs/dbraw/zinc/97/35/64/351973564.db2.gz KUIKKKDBYCIBJM-GHMZBOCLSA-N 1 0 279.344 -0.231 20 70 CBIDRO CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000161142270 351974020 /nfs/dbraw/zinc/97/40/20/351974020.db2.gz ZLUFEIAUYYUUTD-MNOVXSKESA-N 1 0 279.344 -0.375 20 70 CBIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CN1CSCC1=O ZINC000161364456 351975202 /nfs/dbraw/zinc/97/52/02/351975202.db2.gz MDEJOPFWOXNGAN-VIFPVBQESA-N 1 0 257.359 -0.270 20 70 CBIDRO CN1CC[NH2+]C[C@H]1CNS(=O)(=O)c1ccccc1 ZINC000217236879 352232651 /nfs/dbraw/zinc/23/26/51/352232651.db2.gz JUEUGFIPMSSNSV-NSHDSACASA-N 1 0 269.370 -0.132 20 70 CBIDRO [NH3+][C@@H]1CCN(C(=O)Cn2nc3n(c2=O)CCCCC3)C1 ZINC000160314548 137626555 /nfs/dbraw/zinc/62/65/55/137626555.db2.gz MIQUDPDEBUQLHV-SNVBAGLBSA-N 1 0 279.344 -0.669 20 70 CBIDRO CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCC(=O)NC1CC1 ZINC000160136640 188457354 /nfs/dbraw/zinc/45/73/54/188457354.db2.gz FXFOQBXTYRARFY-HCKVZZMMSA-N 1 0 295.383 -0.086 20 70 CBIDRO CCn1cc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)cn1 ZINC000161442440 188528398 /nfs/dbraw/zinc/52/83/98/188528398.db2.gz CHVSRYXMYWWSIB-NSHDSACASA-N 1 0 290.389 -0.506 20 70 CBIDRO O=C([C@H]1CCCO1)N1CCCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000159420019 296111503 /nfs/dbraw/zinc/11/15/03/296111503.db2.gz AUYQBAHTPUOXBL-CHWSQXEVSA-N 1 0 295.383 -0.022 20 70 CBIDRO CC[C@@H](C(=O)N1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC000159969151 207389473 /nfs/dbraw/zinc/38/94/73/207389473.db2.gz AYASWIIAOCXCON-JTQLQIEISA-N 1 0 277.390 -0.570 20 70 CBIDRO [NH3+]C1(CNC(=O)Cn2ccc(=O)[nH]c2=O)CCCCC1 ZINC000159747006 207391000 /nfs/dbraw/zinc/39/10/00/207391000.db2.gz GJAJPRLOSANXRL-UHFFFAOYSA-N 1 0 280.328 -0.686 20 70 CBIDRO NS(=O)(=O)NC[C@@H]1CCC[N@H+](CCOCC2CC2)C1 ZINC000160308125 207391962 /nfs/dbraw/zinc/39/19/62/207391962.db2.gz URWFFEJCEAJLCT-LBPRGKRZSA-N 1 0 291.417 -0.082 20 70 CBIDRO CCN(C)S(=O)(=O)N1CCN(CC(C)(C)O)CC1 ZINC000160832722 207392057 /nfs/dbraw/zinc/39/20/57/207392057.db2.gz VFBUBBNKUJWQPT-UHFFFAOYSA-N 1 0 279.406 -0.429 20 70 CBIDRO C[C@H](C(N)=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000160595298 207393777 /nfs/dbraw/zinc/39/37/77/207393777.db2.gz UANJKCDRGDRAQS-GHMZBOCLSA-N 1 0 268.361 -0.901 20 70 CBIDRO CC[C@](C)(O)C[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000161475691 207394064 /nfs/dbraw/zinc/39/40/64/207394064.db2.gz MBFGPQJXMJGOEB-STQMWFEESA-N 1 0 260.378 -0.228 20 70 CBIDRO CO[C@@H]1CCN(S(=O)(=O)c2c[nH]nc2C)[C@@H](C[NH3+])C1 ZINC000161153638 285718736 /nfs/dbraw/zinc/71/87/36/285718736.db2.gz MWVBANDNJRGZRX-NXEZZACHSA-N 1 0 288.373 -0.155 20 70 CBIDRO C[N@@H+](CC(=O)NCC(=O)N1CCCC1)C[C@@H]1CCC[C@@H]1O ZINC000159835011 544474708 /nfs/dbraw/zinc/47/47/08/544474708.db2.gz VFKUZNMXNCGFFP-STQMWFEESA-N 1 0 297.399 -0.182 20 70 CBIDRO CC(C)(NS(C)(=O)=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161441949 544476024 /nfs/dbraw/zinc/47/60/24/544476024.db2.gz XNDJABAJQKISKY-BDAKNGLRSA-N 1 0 277.390 -0.300 20 70 CBIDRO CC1(C)C(=O)NC(=O)N1CC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000160832236 544476301 /nfs/dbraw/zinc/47/63/01/544476301.db2.gz YVXQFOHWODCHSK-IUCAKERBSA-N 1 0 282.344 -0.297 20 70 CBIDRO O=C(NCCN1CC[NH2+]CC1)NCC1CCOCC1 ZINC000218707676 419564264 /nfs/dbraw/zinc/56/42/64/419564264.db2.gz NCNHTWHDMZRZIW-UHFFFAOYSA-N 1 0 270.377 -0.383 20 70 CBIDRO CN1C[C@@H](C(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1=O ZINC000160167979 290265855 /nfs/dbraw/zinc/26/58/55/290265855.db2.gz MAENKRLESNGQRS-RYUDHWBXSA-N 1 0 283.372 -0.572 20 70 CBIDRO CC(C)[C@@H]([NH3+])C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000159672812 327647971 /nfs/dbraw/zinc/64/79/71/327647971.db2.gz KHTDWUBYPXDFTO-LLVKDONJSA-N 1 0 291.417 -0.195 20 70 CBIDRO CC(C)C[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000161088706 328128783 /nfs/dbraw/zinc/12/87/83/328128783.db2.gz WVERLWBQPLMASL-OLZOCXBDSA-N 1 0 299.415 -0.080 20 70 CBIDRO CCC[N@@H+]1CCCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1 ZINC000160399789 519848633 /nfs/dbraw/zinc/84/86/33/519848633.db2.gz XGHZIDIOGKOVOL-NSHDSACASA-N 1 0 296.371 -0.081 20 70 CBIDRO C[NH2+][C@H]1CCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C1 ZINC000160505604 522500854 /nfs/dbraw/zinc/50/08/54/522500854.db2.gz RFBBZJQLEVKPFV-IINYFYTJSA-N 1 0 294.355 -0.473 20 70 CBIDRO CSCC[C@@H]([NH3+])C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000160822880 525545782 /nfs/dbraw/zinc/54/57/82/525545782.db2.gz FRDDKOXNEREUMW-WCBMZHEXSA-N 1 0 271.386 -0.054 20 70 CBIDRO C[C@H](O)C[N@H+](C)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000159507420 351964578 /nfs/dbraw/zinc/96/45/78/351964578.db2.gz LEOXFVICGINUPL-GXSJLCMTSA-N 1 0 252.318 -0.162 20 70 CBIDRO C[N@H+](CCN1C(=O)CNC1=O)C[C@@H]1CCC[C@@H]1O ZINC000159788101 351965430 /nfs/dbraw/zinc/96/54/30/351965430.db2.gz DBSYBHSODFPTCU-UWVGGRQHSA-N 1 0 255.318 -0.369 20 70 CBIDRO CC(=O)N1CCOC[C@@H]1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000159793364 351966086 /nfs/dbraw/zinc/96/60/86/351966086.db2.gz CPNXVSZQJKPSAA-CYBMUJFWSA-N 1 0 283.372 -0.214 20 70 CBIDRO [NH3+][C@@H](Cc1ccccc1)C(=O)NCCN1C(=O)CCC1=O ZINC000160041161 351968087 /nfs/dbraw/zinc/96/80/87/351968087.db2.gz LRMKTHGLZYBAIJ-LBPRGKRZSA-N 1 0 289.335 -0.178 20 70 CBIDRO C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CC[C@@H]([NH3+])C2)C1=O ZINC000160200001 351968999 /nfs/dbraw/zinc/96/89/99/351968999.db2.gz MRCXMXDSIOAEAR-RNCFNFMXSA-N 1 0 280.328 -0.734 20 70 CBIDRO CO[C@]1(C[NH2+]C[C@H](O)CN2CCOCC2)CCOC1 ZINC000160351910 351970024 /nfs/dbraw/zinc/97/00/24/351970024.db2.gz UPCGDIVUSUQEHK-STQMWFEESA-N 1 0 274.361 -0.925 20 70 CBIDRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(F)nc1 ZINC000160418664 351970105 /nfs/dbraw/zinc/97/01/05/351970105.db2.gz DXTRPHQIPCLBOK-UHFFFAOYSA-N 1 0 298.318 -0.146 20 70 CBIDRO CNC(=O)c1cccc(CCNC(=O)[C@@H]2C[NH2+]CCO2)c1 ZINC000160370377 351970392 /nfs/dbraw/zinc/97/03/92/351970392.db2.gz SDTXYJUWJVHCIY-ZDUSSCGKSA-N 1 0 291.351 -0.307 20 70 CBIDRO CNC(=O)[C@H](C)NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160384123 351970507 /nfs/dbraw/zinc/97/05/07/351970507.db2.gz UHXUKTHRQQVNSY-AEISUSGSSA-N 1 0 283.372 -0.230 20 70 CBIDRO NC(=O)[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCO1 ZINC000160713219 351970918 /nfs/dbraw/zinc/97/09/18/351970918.db2.gz BZBXQXBHEGKVTF-RYUDHWBXSA-N 1 0 296.371 -0.634 20 70 CBIDRO NC(=O)[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCO1 ZINC000160713356 351971191 /nfs/dbraw/zinc/97/11/91/351971191.db2.gz BZBXQXBHEGKVTF-NEPJUHHUSA-N 1 0 296.371 -0.634 20 70 CBIDRO C[NH2+][C@H]1CCN(C(=O)Cn2nc3ccccn3c2=O)C1 ZINC000160785569 351972391 /nfs/dbraw/zinc/97/23/91/351972391.db2.gz HGIONTQJRBOGTG-JTQLQIEISA-N 1 0 275.312 -0.684 20 70 CBIDRO CC[NH2+]CC1CCN(C(=O)[C@@H]2COCCN2)CC1 ZINC000161006941 351972921 /nfs/dbraw/zinc/97/29/21/351972921.db2.gz CFSUBEZTPHPMPB-LBPRGKRZSA-N 1 0 255.362 -0.177 20 70 CBIDRO COCC[N@H+](C)CCNC(=O)CNC(=O)c1cccnc1 ZINC000161175897 351973400 /nfs/dbraw/zinc/97/34/00/351973400.db2.gz GEZHXQDZXROTCQ-UHFFFAOYSA-N 1 0 294.355 -0.494 20 70 CBIDRO COC(=O)CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000217024208 352232537 /nfs/dbraw/zinc/23/25/37/352232537.db2.gz PHKPTKPWSOHYLX-NEPJUHHUSA-N 1 0 283.372 -0.260 20 70 CBIDRO COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)[NH3+] ZINC000217052138 352232808 /nfs/dbraw/zinc/23/28/08/352232808.db2.gz SNKIJYNOTQPHAR-IUCAKERBSA-N 1 0 273.333 -0.846 20 70 CBIDRO O[C@H](C[NH2+][C@H]1CCN(C2CC2)C1)CN1CCOCC1 ZINC000217811367 372869251 /nfs/dbraw/zinc/86/92/51/372869251.db2.gz YMQMMRDPNGAAON-GXTWGEPZSA-N 1 0 269.389 -0.494 20 70 CBIDRO [NH3+][C@@H]1CCN(C(=O)Cn2nnc3ccccc3c2=O)C1 ZINC000160317272 207393096 /nfs/dbraw/zinc/39/30/96/207393096.db2.gz GBXIWQMHXYVBPX-SECBINFHSA-N 1 0 273.296 -0.649 20 70 CBIDRO C[C@@H]1CCCN(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000161420668 207393177 /nfs/dbraw/zinc/39/31/77/207393177.db2.gz TWACZMSRDZYMQD-NEPJUHHUSA-N 1 0 293.433 -0.135 20 70 CBIDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)CCCF ZINC000161509826 207394967 /nfs/dbraw/zinc/39/49/67/207394967.db2.gz RKVPGASAPSGFIB-VIFPVBQESA-N 1 0 256.343 -0.422 20 70 CBIDRO CCNC(=O)CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000160168262 285514986 /nfs/dbraw/zinc/51/49/86/285514986.db2.gz MWBYYENZFUADOJ-OLUVUFQESA-N 1 0 283.372 -0.229 20 70 CBIDRO C[C@H](C(=O)NCCC[NH3+])N1C(=O)NC2(CCCC2)C1=O ZINC000160081829 298152190 /nfs/dbraw/zinc/15/21/90/298152190.db2.gz FNZRGQRUJMHYBT-SECBINFHSA-N 1 0 282.344 -0.296 20 70 CBIDRO COCC[NH2+]CC(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C ZINC000159751121 292558666 /nfs/dbraw/zinc/55/86/66/292558666.db2.gz AQISGKZVQQNOFE-VHSXEESVSA-N 1 0 278.374 -0.744 20 70 CBIDRO CC(C)C[C@@H]([NH3+])C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000159385497 544474372 /nfs/dbraw/zinc/47/43/72/544474372.db2.gz WXJUFTFRHPVBRC-GFCCVEGCSA-N 1 0 293.371 -0.031 20 70 CBIDRO CC1(C)C(=O)NC(=O)N1CC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000160832353 544475002 /nfs/dbraw/zinc/47/50/02/544475002.db2.gz YVXQFOHWODCHSK-RKDXNWHRSA-N 1 0 282.344 -0.297 20 70 CBIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCN2C(=O)CCC2=O)C1 ZINC000160897035 544475995 /nfs/dbraw/zinc/47/59/95/544475995.db2.gz PIITZHONHVEXQW-ZJUUUORDSA-N 1 0 267.329 -0.088 20 70 CBIDRO C[C@H](CNC(=O)Cn1cnc(N)n1)[N@H+](C)C1CC1 ZINC000217949715 419564908 /nfs/dbraw/zinc/56/49/08/419564908.db2.gz XXJDXPFNRPICOA-MRVPVSSYSA-N 1 0 252.322 -0.541 20 70 CBIDRO C[NH2+][C@@H]1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000160598231 277039694 /nfs/dbraw/zinc/03/96/94/277039694.db2.gz IPDPMXHWJOVYEL-SNVBAGLBSA-N 1 0 294.355 -0.329 20 70 CBIDRO CO[C@@]1(C[NH2+]C[C@H](O)CN2CCOCC2)CCOC1 ZINC000160352041 327606754 /nfs/dbraw/zinc/60/67/54/327606754.db2.gz UPCGDIVUSUQEHK-QWHCGFSZSA-N 1 0 274.361 -0.925 20 70 CBIDRO CSCC[C@@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000160822624 525545265 /nfs/dbraw/zinc/54/52/65/525545265.db2.gz FRDDKOXNEREUMW-PSASIEDQSA-N 1 0 271.386 -0.054 20 70 CBIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000159437031 351963225 /nfs/dbraw/zinc/96/32/25/351963225.db2.gz WHSNKIXVFAUSJC-ZJUUUORDSA-N 1 0 271.361 -0.576 20 70 CBIDRO O=C(NCCCN1C(=O)CNC1=O)[C@H]1CCCC[NH2+]1 ZINC000159387683 351963541 /nfs/dbraw/zinc/96/35/41/351963541.db2.gz LYUQPLOZDUHPQX-SECBINFHSA-N 1 0 268.317 -0.813 20 70 CBIDRO CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000159397017 351963612 /nfs/dbraw/zinc/96/36/12/351963612.db2.gz QVQFSSMPEJGFIV-LPEHRKFASA-N 1 0 277.390 -0.490 20 70 CBIDRO O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1CC[NH2+]CC1 ZINC000159379401 351963743 /nfs/dbraw/zinc/96/37/43/351963743.db2.gz CEIVWHMWPMALKS-VIFPVBQESA-N 1 0 263.301 -0.806 20 70 CBIDRO CC(C)(NS(C)(=O)=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159656654 351964287 /nfs/dbraw/zinc/96/42/87/351964287.db2.gz ALVLSLVEUSUOFN-AOOOYVTPSA-N 1 0 289.401 -0.333 20 70 CBIDRO CC[N@@H+]1CCCN(C(=O)NCC(=O)N(C)C)CC1 ZINC000159544109 351964323 /nfs/dbraw/zinc/96/43/23/351964323.db2.gz PNLGTHCQMFFDOL-UHFFFAOYSA-N 1 0 256.350 -0.188 20 70 CBIDRO Cn1cc(N2CC[C@@H](NC(=O)[C@H]3CCCC[NH2+]3)C2=O)cn1 ZINC000159609370 351964633 /nfs/dbraw/zinc/96/46/33/351964633.db2.gz KPZKSZWICKGDMF-VXGBXAGGSA-N 1 0 291.355 -0.216 20 70 CBIDRO COc1cc(OC)nc(N2CCC[N@H+](CCO)CC2)n1 ZINC000159814661 351966495 /nfs/dbraw/zinc/96/64/95/351966495.db2.gz LLEXESXISLGAMI-UHFFFAOYSA-N 1 0 282.344 -0.002 20 70 CBIDRO CNS(=O)(=O)c1ccc(C(=O)NCCC[NH3+])cc1 ZINC000160029138 351967648 /nfs/dbraw/zinc/96/76/48/351967648.db2.gz JKKAQQCJCDGMMD-UHFFFAOYSA-N 1 0 271.342 -0.327 20 70 CBIDRO CC[NH+](CC)[C@@H](C)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC000159973516 351967744 /nfs/dbraw/zinc/96/77/44/351967744.db2.gz WOZAULSSXOYPNV-IUCAKERBSA-N 1 0 270.333 -0.569 20 70 CBIDRO CN(CC(C)(C)CN1CCOCC1)C(=O)[C@@H]1CNC(=O)C1 ZINC000160144945 351969174 /nfs/dbraw/zinc/96/91/74/351969174.db2.gz CDQREWLXLUQZMH-LBPRGKRZSA-N 1 0 297.399 -0.061 20 70 CBIDRO CO[C@]1(C[NH2+]C[C@@H](O)CN2CCOCC2)CCOC1 ZINC000160352175 351970190 /nfs/dbraw/zinc/97/01/90/351970190.db2.gz UPCGDIVUSUQEHK-OLZOCXBDSA-N 1 0 274.361 -0.925 20 70 CBIDRO C[NH2+][C@H]1CCN(C(=O)CN(C)c2ncnc3nc[nH]c32)C1 ZINC000160789112 351972721 /nfs/dbraw/zinc/97/27/21/351972721.db2.gz WNYYZRZNIBPLML-VIFPVBQESA-N 1 0 289.343 -0.391 20 70 CBIDRO CCC[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000161141552 351973675 /nfs/dbraw/zinc/97/36/75/351973675.db2.gz KUIKKKDBYCIBJM-MNOVXSKESA-N 1 0 279.344 -0.231 20 70 CBIDRO CCC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000161141468 351973902 /nfs/dbraw/zinc/97/39/02/351973902.db2.gz KUIKKKDBYCIBJM-QWRGUYRKSA-N 1 0 279.344 -0.231 20 70 CBIDRO Cc1nc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)cn1C ZINC000161457506 351974531 /nfs/dbraw/zinc/97/45/31/351974531.db2.gz LYLHIWHTTAOFOA-NSHDSACASA-N 1 0 290.389 -0.681 20 70 CBIDRO Cn1cc(N2CCN(C(=O)[C@H]3CC[C@@H]([NH3+])C3)CC2=O)cn1 ZINC000159386396 188423582 /nfs/dbraw/zinc/42/35/82/188423582.db2.gz IMDCHZYVMPWROV-WDEREUQCSA-N 1 0 291.355 -0.277 20 70 CBIDRO CNS(=O)(=O)c1ccc(CCC(=O)NCCC[NH3+])cc1 ZINC000160135663 188456643 /nfs/dbraw/zinc/45/66/43/188456643.db2.gz SGGVJRABXWEWMC-UHFFFAOYSA-N 1 0 299.396 -0.008 20 70 CBIDRO CN1CC(=O)N(CC(=O)NCC2([NH3+])CCCCC2)C1=O ZINC000159503486 207390597 /nfs/dbraw/zinc/39/05/97/207390597.db2.gz FMGKBOKGLXRWGC-UHFFFAOYSA-N 1 0 282.344 -0.342 20 70 CBIDRO O=C(NCc1ccccc1OCCO)[C@@H]1C[NH2+]CCO1 ZINC000159810754 207390604 /nfs/dbraw/zinc/39/06/04/207390604.db2.gz GXUCMUBMVYAUED-ZDUSSCGKSA-N 1 0 280.324 -0.338 20 70 CBIDRO COC[C@@H](C)S(=O)(=O)N1CCN(CC(C)(C)O)CC1 ZINC000160826456 207393686 /nfs/dbraw/zinc/39/36/86/207393686.db2.gz BZRCMYYFNRHPJY-LLVKDONJSA-N 1 0 294.417 -0.260 20 70 CBIDRO [NH3+]C[C@H]1CCCN1C(=O)Cn1nnc2ccccc2c1=O ZINC000160381435 207393804 /nfs/dbraw/zinc/39/38/04/207393804.db2.gz PLFVQZTVXSJJEL-SNVBAGLBSA-N 1 0 287.323 -0.259 20 70 CBIDRO CC(C)([NH3+])CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O ZINC000160035650 544474241 /nfs/dbraw/zinc/47/42/41/544474241.db2.gz XLNKWPSYYQLIFG-VIFPVBQESA-N 1 0 277.390 -0.346 20 70 CBIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCN2C(=O)CCC2=O)C1 ZINC000160896669 544476013 /nfs/dbraw/zinc/47/60/13/544476013.db2.gz PIITZHONHVEXQW-VHSXEESVSA-N 1 0 267.329 -0.088 20 70 CBIDRO CO[C@H]1CCN(S(=O)(=O)c2c[nH]nc2C)[C@@H](C[NH3+])C1 ZINC000161153518 277340921 /nfs/dbraw/zinc/34/09/21/277340921.db2.gz MWVBANDNJRGZRX-ZJUUUORDSA-N 1 0 288.373 -0.155 20 70 CBIDRO CC(C)[C@H](C(=O)N1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC000160152643 280151242 /nfs/dbraw/zinc/15/12/42/280151242.db2.gz CEQRCVZRUUILPP-LLVKDONJSA-N 1 0 291.417 -0.324 20 70 CBIDRO CC(C)[NH2+]CCC(=O)NCCN1C(=O)CCC1=O ZINC000160041021 327588485 /nfs/dbraw/zinc/58/84/85/327588485.db2.gz XVUMCICWFSODGS-UHFFFAOYSA-N 1 0 255.318 -0.360 20 70 CBIDRO CC1(C)NC(=O)N(CC[NH+]2CCC(OCCO)CC2)C1=O ZINC000160430114 520603957 /nfs/dbraw/zinc/60/39/57/520603957.db2.gz KJGKDNNYVHUPSZ-UHFFFAOYSA-N 1 0 299.371 -0.210 20 70 CBIDRO [NH3+]CCCNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000160119941 534611354 /nfs/dbraw/zinc/61/13/54/534611354.db2.gz OIQWKFYBLBVVGQ-UHFFFAOYSA-N 1 0 276.296 -0.845 20 70 CBIDRO CS(=O)(=O)N[C@H]1CCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000159397341 525213923 /nfs/dbraw/zinc/21/39/23/525213923.db2.gz LXBGVBJPKHTFOC-ZJUUUORDSA-N 1 0 275.374 -0.721 20 70 CBIDRO Cn1cc(N2CCN(C(=O)C[C@@H]3CCC[NH2+]3)CC2=O)cn1 ZINC000159388806 527249458 /nfs/dbraw/zinc/24/94/58/527249458.db2.gz RPRXUTPFPMGIAO-NSHDSACASA-N 1 0 291.355 -0.263 20 70 CBIDRO CC(C)([NH3+])CNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000160006362 535206506 /nfs/dbraw/zinc/20/65/06/535206506.db2.gz DRHGDZBQSCTIAO-MRVPVSSYSA-N 1 0 265.317 -0.384 20 70 CBIDRO CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000216660663 582127789 /nfs/dbraw/zinc/12/77/89/582127789.db2.gz JMLJRCOGGSFNSX-MNOVXSKESA-N 1 0 274.386 -0.026 20 70 CBIDRO O=C(C[C@H]1CC[NH2+]C1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000217768795 582128055 /nfs/dbraw/zinc/12/80/55/582128055.db2.gz YGXYLVYDNANMPE-JHJVBQTASA-N 1 0 267.373 -0.035 20 70 CBIDRO CCOC(=O)[C@H](N)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000159556134 351964598 /nfs/dbraw/zinc/96/45/98/351964598.db2.gz VSEORKDYVAUOOW-LLVKDONJSA-N 1 0 271.361 -0.134 20 70 CBIDRO CN1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2ccccc2)C1=O ZINC000159625356 351964931 /nfs/dbraw/zinc/96/49/31/351964931.db2.gz ZPQLLOWTSFNFOD-NWDGAFQWSA-N 1 0 261.325 -0.097 20 70 CBIDRO CCOC(=O)[C@@H](N)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000159556280 351964994 /nfs/dbraw/zinc/96/49/94/351964994.db2.gz VSEORKDYVAUOOW-NSHDSACASA-N 1 0 271.361 -0.134 20 70 CBIDRO CC(C)([NH3+])CNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000160079672 351967861 /nfs/dbraw/zinc/96/78/61/351967861.db2.gz WHHKHOQDYVYIQH-UHFFFAOYSA-N 1 0 256.306 -0.830 20 70 CBIDRO COC(=O)Cn1cc(CC[N@H+](C)[C@@H]2CCOC2)nn1 ZINC000160065361 351967878 /nfs/dbraw/zinc/96/78/78/351967878.db2.gz UVJWHGLYYWIWEC-LLVKDONJSA-N 1 0 268.317 -0.286 20 70 CBIDRO O=C(NCC1CC[NH+](CCO)CC1)[C@@H]1CCCO1 ZINC000160007036 351968349 /nfs/dbraw/zinc/96/83/49/351968349.db2.gz SQWMKQVWBBRONE-LBPRGKRZSA-N 1 0 256.346 -0.014 20 70 CBIDRO CCC([NH3+])(CC)CNC(=O)CS(=O)(=O)NC ZINC000160445674 351969867 /nfs/dbraw/zinc/96/98/67/351969867.db2.gz PDJBZYKRNBZUQU-UHFFFAOYSA-N 1 0 251.352 -0.831 20 70 CBIDRO COC(=O)[C@@H]1CCC[C@@H]1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000160576961 351971126 /nfs/dbraw/zinc/97/11/26/351971126.db2.gz DKBOTUJNBHBMRP-MXWKQRLJSA-N 1 0 270.329 -0.177 20 70 CBIDRO O=C(NCC1CC[NH+](CCO)CC1)[C@@H]1CCOC1 ZINC000160635779 351971523 /nfs/dbraw/zinc/97/15/23/351971523.db2.gz VRMJQASHKIFNRF-GFCCVEGCSA-N 1 0 256.346 -0.157 20 70 CBIDRO [NH3+]CCc1nc(C(=O)NCCNC(=O)C2CC2)cs1 ZINC000160755542 351972535 /nfs/dbraw/zinc/97/25/35/351972535.db2.gz KNGVEGYSJRMZIK-UHFFFAOYSA-N 1 0 282.369 -0.100 20 70 CBIDRO COCC[NH2+]CC(=O)N[C@H]1CCCC[C@@H]1C(N)=O ZINC000160872551 351973103 /nfs/dbraw/zinc/97/31/03/351973103.db2.gz ZDODXKXRTLUFPH-UWVGGRQHSA-N 1 0 257.334 -0.617 20 70 CBIDRO C[NH2+]C[C@H]1CCCN1C(=O)CN1CSCC1=O ZINC000161364591 351974766 /nfs/dbraw/zinc/97/47/66/351974766.db2.gz MDEJOPFWOXNGAN-SECBINFHSA-N 1 0 257.359 -0.270 20 70 CBIDRO CN(C(=O)CN1CCNCC1=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161446757 351975186 /nfs/dbraw/zinc/97/51/86/351975186.db2.gz RPYWBDJFAOMRCE-FOSCPWQOSA-N 1 0 280.372 -0.840 20 70 CBIDRO C[NH+](C)CC(=O)NCc1ccc(S(N)(=O)=O)s1 ZINC000218029173 352234327 /nfs/dbraw/zinc/23/43/27/352234327.db2.gz YUKAMUWQOBIXAF-UHFFFAOYSA-N 1 0 277.371 -0.427 20 70 CBIDRO Cn1cc(N2CC[C@H](NC(=O)[C@H]3CCCC[NH2+]3)C2=O)cn1 ZINC000159609232 188433841 /nfs/dbraw/zinc/43/38/41/188433841.db2.gz KPZKSZWICKGDMF-NEPJUHHUSA-N 1 0 291.355 -0.216 20 70 CBIDRO CCCNC(=O)CN(C)C(=O)CN(C)[C@H](C[NH3+])C1CC1 ZINC000160148069 283363159 /nfs/dbraw/zinc/36/31/59/283363159.db2.gz SZPQBEZGOULFJO-GFCCVEGCSA-N 1 0 284.404 -0.360 20 70 CBIDRO CCN1C[C@@H](C(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1=O ZINC000160453450 372816643 /nfs/dbraw/zinc/81/66/43/372816643.db2.gz KGKBMCYDVWGEPO-QWHCGFSZSA-N 1 0 297.399 -0.182 20 70 CBIDRO O=C(C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)N1CC[NH2+]CC1 ZINC000160864184 372817838 /nfs/dbraw/zinc/81/78/38/372817838.db2.gz FFTYAHUNZDTMLO-WFASDCNBSA-N 1 0 295.383 -0.428 20 70 CBIDRO CC[C@H](C)[N@H+](C)CCNCc1cn(C)c(=O)n(C)c1=O ZINC000217394091 220235507 /nfs/dbraw/zinc/23/55/07/220235507.db2.gz FURDIMHCQORIPD-NSHDSACASA-N 1 0 282.388 -0.096 20 70 CBIDRO CC(C)N1C[C@@H](NC(=O)NCCN2CC[NH2+]CC2)CC1=O ZINC000217288331 220235813 /nfs/dbraw/zinc/23/58/13/220235813.db2.gz AOQQFPWZHZEEDB-LBPRGKRZSA-N 1 0 297.403 -0.800 20 70 CBIDRO O=C1NC[C@H]2CN(CCC[NH+]3CCCCC3)CCN2C1=O ZINC000161416308 284907202 /nfs/dbraw/zinc/90/72/02/284907202.db2.gz KMAMSIQFSGYLAC-ZDUSSCGKSA-N 1 0 294.399 -0.495 20 70 CBIDRO C[N@@H+](CC(=O)N1CCNC(=O)C1)C[C@H]1CCC[C@@H]1O ZINC000159815434 207389690 /nfs/dbraw/zinc/38/96/90/207389690.db2.gz TYHJLPIWCZYLMU-MNOVXSKESA-N 1 0 269.345 -0.962 20 70 CBIDRO CC(=O)N1CCN(C(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)CC1 ZINC000159485644 207391408 /nfs/dbraw/zinc/39/14/08/207391408.db2.gz GOYLAJUOPMHZSY-KGLIPLIRSA-N 1 0 297.399 -0.230 20 70 CBIDRO C[N@H+](CCNS(C)(=O)=O)C[C@H]1CCC[C@@H]1O ZINC000159536409 207391490 /nfs/dbraw/zinc/39/14/90/207391490.db2.gz GBEBRCZOVDJOPH-ZJUUUORDSA-N 1 0 250.364 -0.372 20 70 CBIDRO COC[C@@H](C)S(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000161467073 207392144 /nfs/dbraw/zinc/39/21/44/207392144.db2.gz QHTCZRGQIZHQOD-ZJUUUORDSA-N 1 0 268.379 -0.747 20 70 CBIDRO CCOCCC[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000160311083 207393219 /nfs/dbraw/zinc/39/32/19/207393219.db2.gz RVDUSFHANHCBHO-LLVKDONJSA-N 1 0 279.406 -0.082 20 70 CBIDRO CCC1(CC)NC(=O)N(CC(=O)N2CC[C@@H]([NH2+]C)C2)C1=O ZINC000160730540 207393952 /nfs/dbraw/zinc/39/39/52/207393952.db2.gz VMHHFKBUFAFXEW-SNVBAGLBSA-N 1 0 296.371 -0.083 20 70 CBIDRO CCN(CC)S(=O)(=O)CC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000160807644 207394118 /nfs/dbraw/zinc/39/41/18/207394118.db2.gz DAPPNEXFFDBPEZ-SNVBAGLBSA-N 1 0 277.390 -0.522 20 70 CBIDRO COC[C@H](C)S(=O)(=O)NC[C@](C)(O)C[NH+](C)C ZINC000161466941 207394139 /nfs/dbraw/zinc/39/41/39/207394139.db2.gz QHTCZRGQIZHQOD-UWVGGRQHSA-N 1 0 268.379 -0.747 20 70 CBIDRO CC(C)([NH3+])CNC(=O)[C@H]1CCCCN1S(C)(=O)=O ZINC000160035735 544473525 /nfs/dbraw/zinc/47/35/25/544473525.db2.gz XLNKWPSYYQLIFG-SECBINFHSA-N 1 0 277.390 -0.346 20 70 CBIDRO COC[C@H](O)CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160681053 544475070 /nfs/dbraw/zinc/47/50/70/544475070.db2.gz ADQFEZWICLXQAI-VXGBXAGGSA-N 1 0 271.361 -0.223 20 70 CBIDRO O=C(C[C@@H]1NC(=O)NC1=O)NCCC[NH+]1CCCCCC1 ZINC000161089225 544475198 /nfs/dbraw/zinc/47/51/98/544475198.db2.gz SNGWBJGFIFUMEU-NSHDSACASA-N 1 0 296.371 -0.033 20 70 CBIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CN2CSCC2=O)C1 ZINC000161355687 544475724 /nfs/dbraw/zinc/47/57/24/544475724.db2.gz BWYMVAFHYKPGGR-DTWKUNHWSA-N 1 0 257.359 -0.095 20 70 CBIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCN2C(=O)CCC2=O)C1 ZINC000160896795 544476322 /nfs/dbraw/zinc/47/63/22/544476322.db2.gz PIITZHONHVEXQW-NXEZZACHSA-N 1 0 267.329 -0.088 20 70 CBIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)Cn2nc3ccccn3c2=O)C1 ZINC000160880098 544476391 /nfs/dbraw/zinc/47/63/91/544476391.db2.gz NNHPKFKUTZYFIV-MNOVXSKESA-N 1 0 289.339 -0.118 20 70 CBIDRO CCC[N@H+](CC)CCNC(=O)Cn1cnc(N)n1 ZINC000217998123 419564067 /nfs/dbraw/zinc/56/40/67/419564067.db2.gz WSZLMOUXJYDPRP-UHFFFAOYSA-N 1 0 254.338 -0.292 20 70 CBIDRO CN1C[C@H](C(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1=O ZINC000160168106 290300736 /nfs/dbraw/zinc/30/07/36/290300736.db2.gz MAENKRLESNGQRS-VXGBXAGGSA-N 1 0 283.372 -0.572 20 70 CBIDRO CC(C)[NH2+]CCC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000161028300 328118346 /nfs/dbraw/zinc/11/83/46/328118346.db2.gz PIUCCTOJASLWJE-SNVBAGLBSA-N 1 0 277.390 -0.475 20 70 CBIDRO NC(=O)CN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000217056164 329316723 /nfs/dbraw/zinc/31/67/23/329316723.db2.gz WBUBCCMIMJEETL-MNOVXSKESA-N 1 0 268.361 -0.948 20 70 CBIDRO O[C@H](C[NH2+][C@@H]1CCN(C2CC2)C1)CN1CCOCC1 ZINC000217811274 329456880 /nfs/dbraw/zinc/45/68/80/329456880.db2.gz YMQMMRDPNGAAON-TZMCWYRMSA-N 1 0 269.389 -0.494 20 70 CBIDRO O=C(NCCS(=O)(=O)NCC1CCC1)[C@@H]1CCC[NH2+]1 ZINC000159671984 526368766 /nfs/dbraw/zinc/36/87/66/526368766.db2.gz JEIFYURTGDPROR-NSHDSACASA-N 1 0 289.401 -0.426 20 70 CBIDRO