smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H]([NH2+]CCC(C)C)c1cc(Br)ccc1O ZINC000019912040 182163859 /nfs/dbraw/zinc/16/38/59/182163859.db2.gz BRJSODXIZULYIN-CYBMUJFWSA-N 1 0 300.240 4.242 10 10 DICERO CCOc1cccc(C[NH2+][C@@H](C)c2cccc(Cl)c2)c1O ZINC000021811282 182291817 /nfs/dbraw/zinc/29/18/17/182291817.db2.gz JLOMTXQREXXKPT-LBPRGKRZSA-N 1 0 305.805 4.295 10 10 DICERO CN1c2ccccc2S/C1=C\c1ccc2ccccc2[n+]1C ZINC000038611709 183004925 /nfs/dbraw/zinc/00/49/25/183004925.db2.gz LINQWMMTWMYBLQ-UHFFFAOYSA-N 1 0 305.426 4.205 10 10 DICERO C[C@@H]([NH3+])c1ccc(N(C)Cc2ccccc2Br)cc1 ZINC000048892526 183694115 /nfs/dbraw/zinc/69/41/15/183694115.db2.gz VKOUWXRFLAEGIR-GFCCVEGCSA-N 1 0 319.246 4.105 10 10 DICERO CCN(c1ccc([C@H](C)[NH3+])cc1Br)C1CCCC1 ZINC000061695155 184183543 /nfs/dbraw/zinc/18/35/43/184183543.db2.gz RTUUHIZCYQKEQX-NSHDSACASA-N 1 0 311.267 4.238 10 10 DICERO C[C@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1cc(F)ccc1O ZINC000185336223 337204226 /nfs/dbraw/zinc/20/42/26/337204226.db2.gz YFFTXFSQXXDGMB-VBKZILBWSA-N 1 0 322.383 4.367 10 10 DICERO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc2ccccc2c1O ZINC000248490653 337565657 /nfs/dbraw/zinc/56/56/57/337565657.db2.gz IDDHLXYSBYOVMV-CJODITQLSA-N 1 0 311.425 4.154 10 10 DICERO CCCOc1ccc([C@@H](C)[NH2+]Cc2cc(OC)ccc2O)cc1 ZINC000180895165 520414876 /nfs/dbraw/zinc/41/48/76/520414876.db2.gz OEVJEDAIXOIOBX-CQSZACIVSA-N 1 0 315.413 4.040 10 10 DICERO C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1ccc2ccccc2c1O ZINC000248951603 1046856539 /nfs/dbraw/zinc/85/65/39/1046856539.db2.gz ZWVVJKVWGMBIFS-URKNILKWSA-N 1 0 311.425 4.154 10 10 DICERO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2Cl)c(O)c1 ZINC000019985100 182173938 /nfs/dbraw/zinc/17/39/38/182173938.db2.gz GAHNAOHLTKIOCZ-VXGBXAGGSA-N 1 0 305.805 4.466 10 10 DICERO CN(Cc1ccc(Cl)s1)c1ccc(C[NH3+])cc1Cl ZINC000062793019 184253294 /nfs/dbraw/zinc/25/32/94/184253294.db2.gz HFXQOVQQLVCBKV-UHFFFAOYSA-N 1 0 301.242 4.150 10 10 DICERO CC[C@@H]1CCCN(c2ccc([C@@H](C)[NH3+])cc2Br)C1 ZINC000061695469 134803252 /nfs/dbraw/zinc/80/32/52/134803252.db2.gz WIXXYDDZMFRFNW-VXGBXAGGSA-N 1 0 311.267 4.095 10 10 DICERO Cc1ccc([C@H](C)[NH2+][C@@H](c2ccccc2)[C@H]2CCCO2)c(O)c1 ZINC000248485999 337565586 /nfs/dbraw/zinc/56/55/86/337565586.db2.gz FJJAIQTZTAGOGV-BEVDRBHNSA-N 1 0 311.425 4.272 10 10 DICERO CCCOc1ccc([C@H](C)[NH2+]Cc2cc(OC)ccc2O)cc1 ZINC000180895178 520428542 /nfs/dbraw/zinc/42/85/42/520428542.db2.gz OEVJEDAIXOIOBX-AWEZNQCLSA-N 1 0 315.413 4.040 10 10 DICERO Cc1ccc([N+](=O)[O-])cc1N[N+](=O)c1cc([N+](=O)[O-])ccc1C ZINC000006071185 181310733 /nfs/dbraw/zinc/31/07/33/181310733.db2.gz VYWCUBKLICQCGK-NXVVXOECSA-N 1 0 316.273 4.046 10 10 DICERO CC[C@H]([NH2+]CCC(C)C)c1cc(Br)ccc1O ZINC000019912041 182163966 /nfs/dbraw/zinc/16/39/66/182163966.db2.gz BRJSODXIZULYIN-ZDUSSCGKSA-N 1 0 300.240 4.242 10 10 DICERO Cc1ccc([N+](=O)[O-])cc1N[N+](=O)c1cc([N+](=O)[O-])ccc1C ZINC000100337758 193798317 /nfs/dbraw/zinc/79/83/17/193798317.db2.gz VYWCUBKLICQCGK-FOCLMDBBSA-N 1 0 316.273 4.046 10 10 DICERO CCCN(c1ccc([C@H](C)[NH2+]C)cc1Br)C1CC1 ZINC000061694857 184183369 /nfs/dbraw/zinc/18/33/69/184183369.db2.gz WKMJCHZMMHUQEW-NSHDSACASA-N 1 0 311.267 4.108 10 10 DICERO Oc1ccccc1C[NH2+][C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000131265694 526373581 /nfs/dbraw/zinc/37/35/81/526373581.db2.gz SESQXSREJIFAFZ-KRWDZBQOSA-N 1 0 309.409 4.318 10 10 DICERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](c2ccccc2)[C@H]2CCCO2)c1 ZINC000248532209 1046843060 /nfs/dbraw/zinc/84/30/60/1046843060.db2.gz YIXOXGJQDNUQJK-BEVDRBHNSA-N 1 0 311.425 4.272 10 10 DICERO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2Cl)c(O)c1 ZINC000019985104 182173967 /nfs/dbraw/zinc/17/39/67/182173967.db2.gz GAHNAOHLTKIOCZ-NEPJUHHUSA-N 1 0 305.805 4.466 10 10 DICERO Nc1cccc2c1C(=[NH2+])C1(C=C2)Nc2cccc3cccc(c32)N1 ZINC000044069547 183393740 /nfs/dbraw/zinc/39/37/40/183393740.db2.gz CXGACCZEFCWAJN-UHFFFAOYSA-N 1 0 312.376 4.051 10 10 DICERO CC[NH2+][C@@H](C)c1ccc(N(CC)C(C)C)c(Br)c1 ZINC000061694790 184183557 /nfs/dbraw/zinc/18/35/57/184183557.db2.gz SUVNBNWUUFNAAC-LBPRGKRZSA-N 1 0 313.283 4.354 10 10 DICERO CC(C)CN(c1ccc([C@@H](C)[NH3+])cc1Br)C1CC1 ZINC000061697671 184183974 /nfs/dbraw/zinc/18/39/74/184183974.db2.gz YYIUNPNMZDUJGG-LLVKDONJSA-N 1 0 311.267 4.094 10 10 DICERO CC[NH+](CC)CCCOc1ccccc1-n1c(C)ccc1C ZINC000584621147 337374858 /nfs/dbraw/zinc/37/48/58/337374858.db2.gz DDFVMIVXTLZNLQ-UHFFFAOYSA-N 1 0 300.446 4.205 10 10 DICERO Nc1ccc2c(c1)[nH+]c1cc(N)ccc1c2Nc1ccccc1 ZINC000005162467 181211586 /nfs/dbraw/zinc/21/15/86/181211586.db2.gz IKTQXUFHSUDVHW-UHFFFAOYSA-N 1 0 300.365 4.296 10 10 DICERO CCC[C@H](C)[NH2+][C@@H](CC)c1cc(Br)ccc1O ZINC000019902928 182162454 /nfs/dbraw/zinc/16/24/54/182162454.db2.gz QVTMZUBZWYUFSN-GWCFXTLKSA-N 1 0 300.240 4.384 10 10 DICERO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2Cl)c(O)c1 ZINC000019985092 182173529 /nfs/dbraw/zinc/17/35/29/182173529.db2.gz GAHNAOHLTKIOCZ-NWDGAFQWSA-N 1 0 305.805 4.466 10 10 DICERO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2Cl)c(O)c1 ZINC000019985096 182173891 /nfs/dbraw/zinc/17/38/91/182173891.db2.gz GAHNAOHLTKIOCZ-RYUDHWBXSA-N 1 0 305.805 4.466 10 10 DICERO C[C@H]([NH3+])c1ccc(N2CCCCCCC2)c(Br)c1 ZINC000061694599 184183249 /nfs/dbraw/zinc/18/32/49/184183249.db2.gz WUWKJERKZUQCTO-LBPRGKRZSA-N 1 0 311.267 4.239 10 10 DICERO CCN(c1ccc([C@@H](C)[NH3+])cc1Br)C1CCCC1 ZINC000061695154 184183301 /nfs/dbraw/zinc/18/33/01/184183301.db2.gz RTUUHIZCYQKEQX-LLVKDONJSA-N 1 0 311.267 4.238 10 10 DICERO Cc1ccc(O)c([C@H](C)[NH2+]C2CCN(c3cccs3)CC2)c1 ZINC000185692298 337250205 /nfs/dbraw/zinc/25/02/05/337250205.db2.gz FZFORZVEIDFJPE-AWEZNQCLSA-N 1 0 316.470 4.082 10 10 DICERO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1c(O)ccc2ccccc21 ZINC000188947261 337276761 /nfs/dbraw/zinc/27/67/61/337276761.db2.gz MZJLQIWAEYLYIN-IBGZPJMESA-N 1 0 319.404 4.467 10 10 DICERO Oc1ccc2ccccc2c1C[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC000189584727 337280443 /nfs/dbraw/zinc/28/04/43/337280443.db2.gz ZIFKOJNDESENJB-SFHVURJKSA-N 1 0 323.367 4.298 10 10 DICERO Oc1ccc2ccccc2c1C[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000191120481 337294188 /nfs/dbraw/zinc/29/41/88/337294188.db2.gz WMRREQDYZVXRRZ-SFHVURJKSA-N 1 0 323.367 4.298 10 10 DICERO CCCCC[NH2+][C@@H](CC)c1cc(Br)ccc1O ZINC000019901422 182162307 /nfs/dbraw/zinc/16/23/07/182162307.db2.gz ROHICNGXDAHMRX-ZDUSSCGKSA-N 1 0 300.240 4.386 10 10 DICERO CCC(CC)N(C)c1ccc([C@@H](C)[NH2+]C)cc1Br ZINC000061695395 184183253 /nfs/dbraw/zinc/18/32/53/184183253.db2.gz QWSOCOMASBHIRH-LLVKDONJSA-N 1 0 313.283 4.354 10 10 DICERO CCC(CC)N(C)c1ccc([C@H](C)[NH2+]C)cc1Br ZINC000061695396 184183293 /nfs/dbraw/zinc/18/32/93/184183293.db2.gz QWSOCOMASBHIRH-NSHDSACASA-N 1 0 313.283 4.354 10 10 DICERO C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)c(Br)c1 ZINC000061694055 184183500 /nfs/dbraw/zinc/18/35/00/184183500.db2.gz ILZOYRYRZHBRQS-LBPRGKRZSA-N 1 0 311.267 4.110 10 10 DICERO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)cc1OC ZINC000194350320 338515834 /nfs/dbraw/zinc/51/58/34/338515834.db2.gz ZYVSGSQGUKXEOP-UONOGXRCSA-N 1 0 315.413 4.130 10 10 DICERO Cc1ccc(O)c([C@@H](C)[NH2+]C2CCN(c3cccs3)CC2)c1 ZINC000185692279 337250171 /nfs/dbraw/zinc/25/01/71/337250171.db2.gz FZFORZVEIDFJPE-CQSZACIVSA-N 1 0 316.470 4.082 10 10 DICERO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2ccc(C)o2)c1O ZINC000182574265 518278821 /nfs/dbraw/zinc/27/88/21/518278821.db2.gz LDYLDZNCOMQZSP-JTQLQIEISA-N 1 0 307.777 4.000 10 10 DICERO C[C@H]([NH2+]Cc1ccccc1)c1cc2c(cc1O)OC(C)(C)C=C2 ZINC000096932126 185392486 /nfs/dbraw/zinc/39/24/86/185392486.db2.gz BKTBRJMYHRKCFT-AWEZNQCLSA-N 1 0 309.409 4.427 10 10 DICERO OCc1cc(O)cc(Nc2c3ccccc3[nH+]c3ccccc32)c1 ZINC000150276277 186055939 /nfs/dbraw/zinc/05/59/39/186055939.db2.gz GRIKLJLYWZNHEW-UHFFFAOYSA-N 1 0 316.360 4.330 10 10 DICERO Nc1ccc2c(c1)[nH+]c1cc(N)ccc1c2Nc1ccc(O)cc1 ZINC000005161935 181212214 /nfs/dbraw/zinc/21/22/14/181212214.db2.gz AKHSRRVGTGMBMM-UHFFFAOYSA-N 1 0 316.364 4.002 10 10 DICERO NC(=O)c1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1 ZINC000005422212 181242517 /nfs/dbraw/zinc/24/25/17/181242517.db2.gz QTWNXHPBFYHFQH-UHFFFAOYSA-N 1 0 313.360 4.231 10 10 DICERO C[NH2+][C@H](C)c1ccc(N2CCCCCC2)c(Br)c1 ZINC000061694056 184183329 /nfs/dbraw/zinc/18/33/29/184183329.db2.gz ILZOYRYRZHBRQS-GFCCVEGCSA-N 1 0 311.267 4.110 10 10 DICERO C[C@@H]([NH3+])c1ccc(N2CCCCCCC2)c(Br)c1 ZINC000061694600 184183401 /nfs/dbraw/zinc/18/34/01/184183401.db2.gz WUWKJERKZUQCTO-GFCCVEGCSA-N 1 0 311.267 4.239 10 10 DICERO C[C@@H]([NH3+])c1ccc(N(C)Cc2ccccc2)c(Br)c1 ZINC000061694133 184183425 /nfs/dbraw/zinc/18/34/25/184183425.db2.gz BCJMNQMGVKBJHT-GFCCVEGCSA-N 1 0 319.246 4.105 10 10 DICERO Cc1ccc(-c2cc(C(=O)C[N+]#N)c3cc(C)cc(C)c3n2)cc1 ZINC000584603916 337371349 /nfs/dbraw/zinc/37/13/49/337371349.db2.gz WDDVWYPVIODMHW-UHFFFAOYSA-N 1 0 315.376 4.310 10 10 DICERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1ccc2ccccc2c1O ZINC000248516764 337564280 /nfs/dbraw/zinc/56/42/80/337564280.db2.gz OZOCHSPZXRTBGP-GJGHSUIPSA-N 1 0 311.425 4.010 10 10 DICERO CC[C@H]([NH2+][C@H](c1ccccc1)[C@H]1CCCO1)c1ccccc1O ZINC000248587115 337565834 /nfs/dbraw/zinc/56/58/34/337565834.db2.gz YBBOHKMSAXHUAL-DFQSSKMNSA-N 1 0 311.425 4.353 10 10 DICERO CC[C@H]([NH2+][C@@H](c1nc(C2CC2)no1)C(C)C)c1ccccc1O ZINC000156576793 522710573 /nfs/dbraw/zinc/71/05/73/522710573.db2.gz PRZHLYOWDOUNMT-GOEBONIOSA-N 1 0 315.417 4.091 10 10 DICERO CC[C@H]([NH2+][C@H](c1nc(C2CC2)no1)C(C)C)c1ccccc1O ZINC000156577040 522750710 /nfs/dbraw/zinc/75/07/10/522750710.db2.gz PRZHLYOWDOUNMT-HOCLYGCPSA-N 1 0 315.417 4.091 10 10 DICERO CC[C@@H]([NH2+][C@H](C)c1cc(C)ccc1O)c1cccc([N+](=O)[O-])c1 ZINC000185653882 522936748 /nfs/dbraw/zinc/93/67/48/522936748.db2.gz YZSGLSSNDJFWPX-CXAGYDPISA-N 1 0 314.385 4.411 10 10 DICERO c1ccc(C[NH2+]Cc2ccc(N3Cc4ccccc4C3)cc2)cc1 ZINC000072236217 191080489 /nfs/dbraw/zinc/08/04/89/191080489.db2.gz CMZRNVDADDQGJA-UHFFFAOYSA-N 1 0 314.432 4.497 10 10 DICERO CCC[NH2+][C@H](C)c1ccc(N2CCCC2)c(Br)c1 ZINC000061693904 184183429 /nfs/dbraw/zinc/18/34/29/184183429.db2.gz RLOGJBHGUNPYSG-GFCCVEGCSA-N 1 0 311.267 4.110 10 10 DICERO Cc1ccc([C@@H](C)[NH2+]C2CCN(c3cccs3)CC2)c(O)c1 ZINC000185692763 337250247 /nfs/dbraw/zinc/25/02/47/337250247.db2.gz TZSWSNZIPJBMPO-CQSZACIVSA-N 1 0 316.470 4.082 10 10 DICERO Oc1ccc2ccccc2c1C[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC000189584707 337280376 /nfs/dbraw/zinc/28/03/76/337280376.db2.gz ZIFKOJNDESENJB-GOSISDBHSA-N 1 0 323.367 4.298 10 10 DICERO C[C@H]([NH2+][C@@H](c1ccccc1)[C@H]1CCCO1)c1cc(F)ccc1O ZINC000248489895 337565666 /nfs/dbraw/zinc/56/56/66/337565666.db2.gz HSCHFRDMXFZESX-BKTGTZMESA-N 1 0 315.388 4.102 10 10 DICERO Cc1ccc(O)c([C@H](C)[NH2+][C@H](c2ccccc2)[C@H]2CCCO2)c1 ZINC000248532211 1046842946 /nfs/dbraw/zinc/84/29/46/1046842946.db2.gz YIXOXGJQDNUQJK-CWFSZBLJSA-N 1 0 311.425 4.272 10 10 DICERO NC(=O)c1ccccc1Nc1c2ccccc2[nH+]c2ccccc21 ZINC000005422265 181242369 /nfs/dbraw/zinc/24/23/69/181242369.db2.gz ZWKAHPSFZCHZIZ-UHFFFAOYSA-N 1 0 313.360 4.231 10 10 DICERO CCC[C@@H](C)[NH2+][C@@H](CC)c1cc(Br)ccc1O ZINC000019902927 182162647 /nfs/dbraw/zinc/16/26/47/182162647.db2.gz QVTMZUBZWYUFSN-MFKMUULPSA-N 1 0 300.240 4.384 10 10 DICERO CCC(CC)[NH2+][C@@H](CC)c1cc(Br)ccc1O ZINC000019883952 182160668 /nfs/dbraw/zinc/16/06/68/182160668.db2.gz YNDUJWDEJIXGQA-ZDUSSCGKSA-N 1 0 300.240 4.384 10 10 DICERO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(C)ccc2O)cc1OC ZINC000194350857 338515837 /nfs/dbraw/zinc/51/58/37/338515837.db2.gz TXEXCESGSUINKS-KGLIPLIRSA-N 1 0 315.413 4.130 10 10 DICERO C[C@@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1cc(F)ccc1O ZINC000185336211 337204161 /nfs/dbraw/zinc/20/41/61/337204161.db2.gz YFFTXFSQXXDGMB-VLIAUNLRSA-N 1 0 322.383 4.367 10 10 DICERO CC[C@H]([NH2+][C@@H](CC)c1ccccc1O)c1cccc([N+](=O)[O-])c1 ZINC000156238902 522706136 /nfs/dbraw/zinc/70/61/36/522706136.db2.gz CZZCCDYKDUWLJU-IRXDYDNUSA-N 1 0 314.385 4.492 10 10 DICERO C[C@H]([NH2+]Cc1ccc(O)cc1O)c1ccc(Cl)cc1Cl ZINC000019230658 182109682 /nfs/dbraw/zinc/10/96/82/182109682.db2.gz AVBRBPGJMJTEMZ-VIFPVBQESA-N 1 0 312.196 4.255 10 10 DICERO Cc1occc1CN(C)c1ccc([C@@H](C)[NH3+])cc1Br ZINC000061696523 184183809 /nfs/dbraw/zinc/18/38/09/184183809.db2.gz ODOIKFJQHWMGMG-SNVBAGLBSA-N 1 0 323.234 4.007 10 10 DICERO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)cc1OC ZINC000194350842 338515771 /nfs/dbraw/zinc/51/57/71/338515771.db2.gz TXEXCESGSUINKS-ZIAGYGMSSA-N 1 0 315.413 4.130 10 10 DICERO CC[C@@H]([NH2+][C@@H](C)c1ccc(OC)c(OC)c1)c1ccccc1O ZINC000194348809 338515776 /nfs/dbraw/zinc/51/57/76/338515776.db2.gz JPGXBIPNYRANKV-XJKSGUPXSA-N 1 0 315.413 4.211 10 10 DICERO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2ccc(C)o2)c1O ZINC000182574243 518278459 /nfs/dbraw/zinc/27/84/59/518278459.db2.gz LDYLDZNCOMQZSP-SNVBAGLBSA-N 1 0 307.777 4.000 10 10 DICERO CC[C@H]([NH2+]C1CCN(c2cccs2)CC1)c1ccccc1O ZINC000156324322 522564765 /nfs/dbraw/zinc/56/47/65/522564765.db2.gz QPUFYUYMAHDYKB-INIZCTEOSA-N 1 0 316.470 4.163 10 10 DICERO CC[C@@H]([NH2+][C@@H](CC)c1ccccc1O)c1cccc([N+](=O)[O-])c1 ZINC000156239014 522918845 /nfs/dbraw/zinc/91/88/45/522918845.db2.gz CZZCCDYKDUWLJU-SJORKVTESA-N 1 0 314.385 4.492 10 10 DICERO Oc1ccccc1C[NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000131265477 526374148 /nfs/dbraw/zinc/37/41/48/526374148.db2.gz SESQXSREJIFAFZ-QGZVFWFLSA-N 1 0 309.409 4.318 10 10 DICERO C[C@@H]([NH2+]Cc1ccc(O)cc1O)c1ccc(Cl)cc1Cl ZINC000019230657 182108771 /nfs/dbraw/zinc/10/87/71/182108771.db2.gz AVBRBPGJMJTEMZ-SECBINFHSA-N 1 0 312.196 4.255 10 10 DICERO C[C@@H]([NH2+]CCc1ccccc1)c1ccc(N2CCCC2)c(F)c1 ZINC000020550915 182230379 /nfs/dbraw/zinc/23/03/79/182230379.db2.gz UZCMCGXXIPUCMY-MRXNPFEDSA-N 1 0 312.432 4.319 10 10 DICERO C[C@@H]([NH3+])c1ccc(N(C)C2CCCCC2)c(Br)c1 ZINC000061694265 184183524 /nfs/dbraw/zinc/18/35/24/184183524.db2.gz RLYHVRHJNIMJNM-LLVKDONJSA-N 1 0 311.267 4.238 10 10 DICERO C[NH2+][C@H](C)c1ccc(N2CCCC2(C)C)c(Br)c1 ZINC000063067504 184269249 /nfs/dbraw/zinc/26/92/49/184269249.db2.gz SXCAIIWFCFVYTI-LLVKDONJSA-N 1 0 311.267 4.108 10 10 DICERO Cn1c(C2=CCC[N@H+](Cc3ccccc3)C2)cc2ccccc21 ZINC000584618346 337373190 /nfs/dbraw/zinc/37/31/90/337373190.db2.gz CKSYIZVZTWWHQS-UHFFFAOYSA-N 1 0 302.421 4.468 10 10 DICERO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc2ccccc2c1O ZINC000248490655 337565648 /nfs/dbraw/zinc/56/56/48/337565648.db2.gz IDDHLXYSBYOVMV-YFYLHZKVSA-N 1 0 311.425 4.154 10 10 DICERO CC[C@@H]([NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)c1ccccc1O ZINC000156239130 522919907 /nfs/dbraw/zinc/91/99/07/522919907.db2.gz CZZCCDYKDUWLJU-DLBZAZTESA-N 1 0 314.385 4.492 10 10 DICERO CCCN(c1ccc([C@@H](C)[NH2+]C)cc1Br)C1CC1 ZINC000061694856 184183296 /nfs/dbraw/zinc/18/32/96/184183296.db2.gz WKMJCHZMMHUQEW-LLVKDONJSA-N 1 0 311.267 4.108 10 10 DICERO CCC[NH2+][C@@H](C)c1ccc(N2CCCC2)c(Br)c1 ZINC000061693903 184183356 /nfs/dbraw/zinc/18/33/56/184183356.db2.gz RLOGJBHGUNPYSG-LBPRGKRZSA-N 1 0 311.267 4.110 10 10 DICERO CC[C@H]([NH2+][C@@H](C)c1ccc(OC)c(OC)c1)c1ccccc1O ZINC000194348797 338515813 /nfs/dbraw/zinc/51/58/13/338515813.db2.gz JPGXBIPNYRANKV-BBRMVZONSA-N 1 0 315.413 4.211 10 10 DICERO COc1ccc([C@H](C)[NH2+][C@H](C)c2cc(C)ccc2O)cc1OC ZINC000194350817 338515828 /nfs/dbraw/zinc/51/58/28/338515828.db2.gz TXEXCESGSUINKS-UONOGXRCSA-N 1 0 315.413 4.130 10 10 DICERO C[C@@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1cc(F)ccc1O ZINC000185336246 337204291 /nfs/dbraw/zinc/20/42/91/337204291.db2.gz YFFTXFSQXXDGMB-JLTOFOAXSA-N 1 0 322.383 4.367 10 10 DICERO Cc1ccc([C@H](C)[NH2+]C2CCN(c3cccs3)CC2)c(O)c1 ZINC000185692782 337250345 /nfs/dbraw/zinc/25/03/45/337250345.db2.gz TZSWSNZIPJBMPO-AWEZNQCLSA-N 1 0 316.470 4.082 10 10 DICERO Cc1nc([C@@H]2CCC[N@@H+]2Cc2cc(C)c(C)cc2O)cs1 ZINC000186864658 1043236600 /nfs/dbraw/zinc/23/66/00/1043236600.db2.gz XZJADJWGGIJUFY-INIZCTEOSA-N 1 0 302.443 4.111 10 10 DICERO Nc1ccc(Nc2c3ccccc3[nH+]c3cc(N)ccc32)cc1 ZINC000005162746 181212653 /nfs/dbraw/zinc/21/26/53/181212653.db2.gz CNDFYXGJGAULBO-UHFFFAOYSA-N 1 0 300.365 4.296 10 10 DICERO C[C@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1cc(F)ccc1O ZINC000185336194 337204223 /nfs/dbraw/zinc/20/42/23/337204223.db2.gz YFFTXFSQXXDGMB-XOBRGWDASA-N 1 0 322.383 4.367 10 10 DICERO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1ccc2ccccc2c1O ZINC000248516765 337564242 /nfs/dbraw/zinc/56/42/42/337564242.db2.gz OZOCHSPZXRTBGP-PHRNICBLSA-N 1 0 311.425 4.010 10 10 DICERO C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1cc(F)ccc1O ZINC000094617443 193385308 /nfs/dbraw/zinc/38/53/08/193385308.db2.gz HVNDRBKQVUXZBY-BMQDGWLCSA-N 1 0 305.315 4.303 10 10 DICERO CCC[C@@H](C)[NH2+][C@H](CC)c1cc(Br)ccc1O ZINC000019902929 182162198 /nfs/dbraw/zinc/16/21/98/182162198.db2.gz QVTMZUBZWYUFSN-ZWNOBZJWSA-N 1 0 300.240 4.384 10 10 DICERO CCC[C@H](C)[NH2+][C@H](CC)c1cc(Br)ccc1O ZINC000019902930 182162534 /nfs/dbraw/zinc/16/25/34/182162534.db2.gz QVTMZUBZWYUFSN-GXFFZTMASA-N 1 0 300.240 4.384 10 10 DICERO CCCCN(c1ccc([C@@H](C)[NH3+])cc1Br)C1CC1 ZINC000061696983 184183857 /nfs/dbraw/zinc/18/38/57/184183857.db2.gz SJFYUQQBSLAJSX-LLVKDONJSA-N 1 0 311.267 4.238 10 10 DICERO C[NH2+][C@@H](C)c1ccc(N2CCCC2(C)C)c(Br)c1 ZINC000063067503 184269192 /nfs/dbraw/zinc/26/91/92/184269192.db2.gz SXCAIIWFCFVYTI-NSHDSACASA-N 1 0 311.267 4.108 10 10 DICERO C[C@H]([NH3+])c1ccc(N2CCC(C)(C)CC2)c(Br)c1 ZINC000061820431 134803873 /nfs/dbraw/zinc/80/38/73/134803873.db2.gz QAPVLVYDURJZDR-NSHDSACASA-N 1 0 311.267 4.095 10 10 DICERO Cc1cccc2c1OCC[C@H]2[NH2+]Cc1c(O)ccc2ccccc21 ZINC000188874702 337275866 /nfs/dbraw/zinc/27/58/66/337275866.db2.gz MZJLQIWAEYLYIN-LJQANCHMSA-N 1 0 319.404 4.467 10 10 DICERO CC[C@@H]([NH2+]C1CCN(c2cccs2)CC1)c1ccccc1O ZINC000156324454 522813045 /nfs/dbraw/zinc/81/30/45/522813045.db2.gz QPUFYUYMAHDYKB-MRXNPFEDSA-N 1 0 316.470 4.163 10 10 DICERO CC[C@@H]([NH2+][C@H](CC)c1ccccc1O)c1cccc([N+](=O)[O-])c1 ZINC000156239242 522943334 /nfs/dbraw/zinc/94/33/34/522943334.db2.gz CZZCCDYKDUWLJU-IAGOWNOFSA-N 1 0 314.385 4.492 10 10 DICERO CC[C@@H]([NH2+][C@H](c1nc(C2CC2)no1)C(C)C)c1ccccc1O ZINC000156577167 522946278 /nfs/dbraw/zinc/94/62/78/522946278.db2.gz PRZHLYOWDOUNMT-ZBFHGGJFSA-N 1 0 315.417 4.091 10 10 DICERO C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1cc(F)ccc1O ZINC000094617444 193385480 /nfs/dbraw/zinc/38/54/80/193385480.db2.gz HVNDRBKQVUXZBY-GRZMOONWSA-N 1 0 305.315 4.303 10 10 DICERO CN(C)c1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1 ZINC000013723161 181883897 /nfs/dbraw/zinc/88/38/97/181883897.db2.gz HBAOJTVKBYCHNG-UHFFFAOYSA-N 1 0 323.267 4.392 10 10 DICERO C[C@H]([NH2+]CCc1ccccc1)c1ccc(N2CCCC2)c(F)c1 ZINC000020550917 182230345 /nfs/dbraw/zinc/23/03/45/182230345.db2.gz UZCMCGXXIPUCMY-INIZCTEOSA-N 1 0 312.432 4.319 10 10 DICERO CC[NH2+][C@H](C)c1ccc(N(CC)C(C)C)c(Br)c1 ZINC000061694791 184183486 /nfs/dbraw/zinc/18/34/86/184183486.db2.gz SUVNBNWUUFNAAC-GFCCVEGCSA-N 1 0 313.283 4.354 10 10 DICERO C[C@H]([NH2+][C@H](c1ccccc1)[C@H]1CCCO1)c1cc(F)ccc1O ZINC000248489896 337565641 /nfs/dbraw/zinc/56/56/41/337565641.db2.gz HSCHFRDMXFZESX-MJXNMMHHSA-N 1 0 315.388 4.102 10 10 DICERO C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1ccc2ccccc2c1O ZINC000248951597 337568856 /nfs/dbraw/zinc/56/88/56/337568856.db2.gz ZWVVJKVWGMBIFS-IYJAJMOOSA-N 1 0 311.425 4.154 10 10 DICERO CC[C@@H]([NH2+][C@@H](c1nc(C2CC2)no1)C(C)C)c1ccccc1O ZINC000156576935 522922128 /nfs/dbraw/zinc/92/21/28/522922128.db2.gz PRZHLYOWDOUNMT-GDBMZVCRSA-N 1 0 315.417 4.091 10 10 DICERO C[C@@H]([NH2+]Cc1ccccc1)c1cc2c(cc1O)OC(C)(C)C=C2 ZINC000096932127 185392584 /nfs/dbraw/zinc/39/25/84/185392584.db2.gz BKTBRJMYHRKCFT-CQSZACIVSA-N 1 0 309.409 4.427 10 10 DICERO CCOc1cccc(C[N@@H+]2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c1O ZINC000006048454 181308020 /nfs/dbraw/zinc/30/80/20/181308020.db2.gz OADAEVSWRUEUBR-KXBFYZLASA-N 1 0 303.446 4.192 10 10 DICERO CCCCC[NH2+][C@H](CC)c1cc(Br)ccc1O ZINC000019901423 182162497 /nfs/dbraw/zinc/16/24/97/182162497.db2.gz ROHICNGXDAHMRX-CYBMUJFWSA-N 1 0 300.240 4.386 10 10 DICERO CCC(CC)[NH2+][C@H](CC)c1cc(Br)ccc1O ZINC000019883953 182160552 /nfs/dbraw/zinc/16/05/52/182160552.db2.gz YNDUJWDEJIXGQA-CYBMUJFWSA-N 1 0 300.240 4.384 10 10 DICERO C[C@@H]([NH3+])c1ccc(N2CCC[C@H](C)[C@H]2C)c(Br)c1 ZINC000061698138 134803233 /nfs/dbraw/zinc/80/32/33/134803233.db2.gz PWTRKSCRILUSQX-QJPTWQEYSA-N 1 0 311.267 4.094 10 10 DICERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1ccc2ccccc2c1O ZINC000248516766 337564203 /nfs/dbraw/zinc/56/42/03/337564203.db2.gz OZOCHSPZXRTBGP-ZLKDORHNSA-N 1 0 311.425 4.010 10 10 DICERO Cc1ccc([C@H](C)[NH2+][C@H](c2ccccc2)[C@H]2CCCO2)c(O)c1 ZINC000248486188 337565635 /nfs/dbraw/zinc/56/56/35/337565635.db2.gz FJJAIQTZTAGOGV-CWFSZBLJSA-N 1 0 311.425 4.272 10 10 DICERO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc2ccccc2c1O ZINC000248490654 1046846276 /nfs/dbraw/zinc/84/62/76/1046846276.db2.gz IDDHLXYSBYOVMV-NOENWEJRSA-N 1 0 311.425 4.154 10 10 DICERO CC[C@H]([NH2+][C@@H](c1ccccc1)[C@H]1CCCO1)c1ccccc1O ZINC000248587117 1046848343 /nfs/dbraw/zinc/84/83/43/1046848343.db2.gz YBBOHKMSAXHUAL-SXLOBPIMSA-N 1 0 311.425 4.353 10 10 DICERO