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](C)c1nnc([C@H](C)N[C@H](C)c2cc(Cl)ccc2O)[nH]1 ZINC000754106656 1036251760 /nfs/dbraw/zinc/25/17/60/1036251760.db2.gz RYZWXAXNHMGZME-AXFHLTTASA-N 0 2 322.840 4.089 20 10 DICDLN CSc1cccc(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000756795071 1046136916 /nfs/dbraw/zinc/13/69/16/1046136916.db2.gz GLYYFEJPJUDZMH-SNVBAGLBSA-N 0 2 304.371 4.195 20 10 DICDLN CCOc1ccc(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)c(C)c1 ZINC000756795060 1046137489 /nfs/dbraw/zinc/13/74/89/1046137489.db2.gz GCCVZAKDGZQCLW-GFCCVEGCSA-N 0 2 316.357 4.181 20 10 DICDLN C[C@@H](Nc1cc(F)cc(Cl)c1)c1cc([N+](=O)[O-])ccc1O ZINC000756872801 1046147103 /nfs/dbraw/zinc/14/71/03/1046147103.db2.gz WKBNKNSOONBADI-MRVPVSSYSA-N 0 2 310.712 4.266 20 10 DICDLN Cc1ccc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)c2cccnc12 ZINC000756869299 1046147897 /nfs/dbraw/zinc/14/78/97/1046147897.db2.gz QVNNEDMLLYHZDX-LBPRGKRZSA-N 0 2 323.352 4.330 20 10 DICDLN CSCc1ccc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000757600897 1046191614 /nfs/dbraw/zinc/19/16/14/1046191614.db2.gz USKCAPJFHGXCFL-NSHDSACASA-N 0 2 318.398 4.337 20 10 DICDLN Oc1ccc(F)c(F)c1CN1CCC[C@@H]1c1ccccc1F ZINC001233334710 1054237583 /nfs/dbraw/zinc/23/75/83/1054237583.db2.gz QNYJBLBKSZCVLM-OAHLLOKOSA-N 0 2 307.315 4.147 20 10 DICDLN CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H](C)c1c(O)cccc1F)CCC2 ZINC001262077377 1063954370 /nfs/dbraw/zinc/95/43/70/1063954370.db2.gz CDBFRJZRICJOBN-SWLSCSKDSA-N 0 2 317.408 4.037 20 10 DICDLN CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)CCC2 ZINC001262077377 1063954388 /nfs/dbraw/zinc/95/43/88/1063954388.db2.gz CDBFRJZRICJOBN-SWLSCSKDSA-N 0 2 317.408 4.037 20 10 DICDLN COc1cccc(Cl)c1CN[C@@H](C)c1c(O)cccc1F ZINC000886599422 1044666861 /nfs/dbraw/zinc/66/68/61/1044666861.db2.gz YSMISUKHOSGEMJ-JTQLQIEISA-N 0 2 309.768 4.044 20 10 DICDLN CC[C@H](C)c1nnc([C@@H](C)N[C@H](C)c2cc(Cl)ccc2O)[nH]1 ZINC000754106661 1045848674 /nfs/dbraw/zinc/84/86/74/1045848674.db2.gz RYZWXAXNHMGZME-HBNTYKKESA-N 0 2 322.840 4.089 20 10 DICDLN CSc1ccc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000756797232 1046137400 /nfs/dbraw/zinc/13/74/00/1046137400.db2.gz PRYILGVXSRUHNJ-JTQLQIEISA-N 0 2 304.371 4.195 20 10 DICDLN C[C@H](Nc1ccc(F)c(Cl)c1)c1cc([N+](=O)[O-])ccc1O ZINC000756865196 1046145608 /nfs/dbraw/zinc/14/56/08/1046145608.db2.gz PCFHAOYLFWZLTJ-QMMMGPOBSA-N 0 2 310.712 4.266 20 10 DICDLN CCOc1cc(C)ccc1N[C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000756884308 1046149498 /nfs/dbraw/zinc/14/94/98/1046149498.db2.gz MMMHOXBEEJYQGN-LBPRGKRZSA-N 0 2 316.357 4.181 20 10 DICDLN CCOc1cc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)ccc1C ZINC000757585726 1046189116 /nfs/dbraw/zinc/18/91/16/1046189116.db2.gz ASJPDVHRQPWXED-LBPRGKRZSA-N 0 2 316.357 4.181 20 10 DICDLN C[C@H](Nc1ccc(F)c(C2CC2)c1)c1cc([N+](=O)[O-])ccc1O ZINC000798939366 1046990542 /nfs/dbraw/zinc/99/05/42/1046990542.db2.gz MEBOIJABBLLOCG-JTQLQIEISA-N 0 2 316.332 4.490 20 10 DICDLN C[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1(F)F ZINC001203574283 1048932940 /nfs/dbraw/zinc/93/29/40/1048932940.db2.gz SLRHZFLTLOUBAV-MRVPVSSYSA-N 0 2 310.171 4.176 20 10 DICDLN C[C@@H](N[C@H](C)C(F)(F)F)c1ccc(Cl)c(Cl)c1O ZINC000806660332 1051836919 /nfs/dbraw/zinc/83/69/19/1051836919.db2.gz BWNVFCPEXQIUAR-PHDIDXHHSA-N 0 2 302.123 4.300 20 10 DICDLN C[C@H](N[C@@H](C)C(F)(F)F)c1ccc(Cl)c(Cl)c1O ZINC000806660335 1051837002 /nfs/dbraw/zinc/83/70/02/1051837002.db2.gz BWNVFCPEXQIUAR-WDSKDSINSA-N 0 2 302.123 4.300 20 10 DICDLN Oc1c(Cl)cc(Cl)cc1CN[C@@H](C1CC1)C(F)(F)F ZINC000808438453 1052020248 /nfs/dbraw/zinc/02/02/48/1052020248.db2.gz FFNGKKPTKYHXAY-NSHDSACASA-N 0 2 314.134 4.130 20 10 DICDLN O=[N+]([O-])c1ccc(O)c(CNc2ccc3c(c2)C=CCCC3)c1 ZINC001560535260 1060339614 /nfs/dbraw/zinc/33/96/14/1060339614.db2.gz MOIPUIIEVQFORE-UHFFFAOYSA-N 0 2 310.353 4.262 20 10 DICDLN COc1c(C)ccc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1C ZINC000756793295 1046135827 /nfs/dbraw/zinc/13/58/27/1046135827.db2.gz YHGBYVZQDHLULL-LBPRGKRZSA-N 0 2 316.357 4.099 20 10 DICDLN CSc1cccc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000756795069 1046136895 /nfs/dbraw/zinc/13/68/95/1046136895.db2.gz GLYYFEJPJUDZMH-JTQLQIEISA-N 0 2 304.371 4.195 20 10 DICDLN CCOc1cc(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)ccc1C ZINC000757585723 1046189622 /nfs/dbraw/zinc/18/96/22/1046189622.db2.gz ASJPDVHRQPWXED-GFCCVEGCSA-N 0 2 316.357 4.181 20 10 DICDLN CCc1nc(C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])co1 ZINC000834900025 1046711435 /nfs/dbraw/zinc/71/14/35/1046711435.db2.gz SJWRHZSMCHOOOP-MRVPVSSYSA-N 0 2 315.200 4.100 20 10 DICDLN COc1cc(Cl)ccc1N[C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000775580608 1049186657 /nfs/dbraw/zinc/18/66/57/1049186657.db2.gz VRHQXWCJAXTIEI-VIFPVBQESA-N 0 2 322.748 4.136 20 10 DICDLN CC[C@H](NCc1cc(Cl)cc(Cl)c1O)C(F)(F)F ZINC000786837804 1050520389 /nfs/dbraw/zinc/52/03/89/1050520389.db2.gz XGQHYHAGVNKNHH-VIFPVBQESA-N 0 2 302.123 4.130 20 10 DICDLN C[C@@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1O)C(F)(F)F ZINC000806660328 1051836462 /nfs/dbraw/zinc/83/64/62/1051836462.db2.gz BWNVFCPEXQIUAR-NTSWFWBYSA-N 0 2 302.123 4.300 20 10 DICDLN CN(Cc1cccc(F)c1)Cc1c(O)ccc(Cl)c1Cl ZINC001237078873 1055362401 /nfs/dbraw/zinc/36/24/01/1055362401.db2.gz ZDBLEZXRUTVPKV-UHFFFAOYSA-N 0 2 314.187 4.470 20 10 DICDLN Oc1ccc(Cl)c(Cl)c1CN1CCC[C@@H]1c1ccncc1 ZINC001237080401 1055363677 /nfs/dbraw/zinc/36/36/77/1055363677.db2.gz BTXVJBFFKLJALH-CQSZACIVSA-N 0 2 323.223 4.431 20 10 DICDLN Oc1ccc(Cl)c(F)c1CN1CC[C@@](F)(c2ccccc2)C1 ZINC001462146611 1060967021 /nfs/dbraw/zinc/96/70/21/1060967021.db2.gz MFWMSERRXUWULW-KRWDZBQOSA-N 0 2 323.770 4.255 20 10 DICDLN Oc1cc(F)c(F)cc1CN1CCC[C@](F)(c2ccccc2)C1 ZINC001462515566 1061227017 /nfs/dbraw/zinc/22/70/17/1061227017.db2.gz IHLGSTVBAZUSMA-GOSISDBHSA-N 0 2 321.342 4.131 20 10 DICDLN CC(C)n1cc2c(n1)[C@H]([NH2+][C@H](C)c1c(O)cccc1F)CCC2 ZINC001262077376 1063954019 /nfs/dbraw/zinc/95/40/19/1063954019.db2.gz CDBFRJZRICJOBN-IUODEOHRSA-N 0 2 317.408 4.037 20 10 DICDLN CC(C)n1cc2c(n1)[C@H]([NH2+][C@H](C)c1c([O-])cccc1F)CCC2 ZINC001262077376 1063954046 /nfs/dbraw/zinc/95/40/46/1063954046.db2.gz CDBFRJZRICJOBN-IUODEOHRSA-N 0 2 317.408 4.037 20 10 DICDLN CC[C@H](C)c1cccc(NCc2cc([N+](=O)[O-])ccc2O)c1 ZINC001308471511 1066010534 /nfs/dbraw/zinc/01/05/34/1066010534.db2.gz ORQIBYCGYHRZCK-LBPRGKRZSA-N 0 2 300.358 4.426 20 10 DICDLN CCOCc1cccc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000273499698 535721044 /nfs/dbraw/zinc/72/10/44/535721044.db2.gz PUJTVSULGYQOMH-LBPRGKRZSA-N 0 2 316.357 4.010 20 10 DICDLN C[C@H]([NH2+][C@H](CF)c1ccc(F)cc1)c1cc(F)cc(F)c1[O-] ZINC000866596873 1043230066 /nfs/dbraw/zinc/23/00/66/1043230066.db2.gz TVAHWPNUKMDLPU-BJOHPYRUSA-N 0 2 313.294 4.171 20 10 DICDLN Oc1c(F)cccc1C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC001138129917 1046106684 /nfs/dbraw/zinc/10/66/84/1046106684.db2.gz ZGMYZQMDQXZCKO-MRXNPFEDSA-N 0 2 307.315 4.147 20 10 DICDLN Oc1c(F)cccc1C[N@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC001138129917 1046106691 /nfs/dbraw/zinc/10/66/91/1046106691.db2.gz ZGMYZQMDQXZCKO-MRXNPFEDSA-N 0 2 307.315 4.147 20 10 DICDLN CCCOc1ccccc1N[C@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000756833316 1046140007 /nfs/dbraw/zinc/14/00/07/1046140007.db2.gz XLXVAFOHXCZMOF-GFCCVEGCSA-N 0 2 316.357 4.262 20 10 DICDLN COc1ccc(Cl)cc1N[C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000756871237 1046147882 /nfs/dbraw/zinc/14/78/82/1046147882.db2.gz OBPPQUCIHVTBMT-VIFPVBQESA-N 0 2 322.748 4.136 20 10 DICDLN CCc1nc(C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])co1 ZINC000834900030 1046712357 /nfs/dbraw/zinc/71/23/57/1046712357.db2.gz SJWRHZSMCHOOOP-QMMMGPOBSA-N 0 2 315.200 4.100 20 10 DICDLN Oc1c(CNc2ccc(N3CCCCC3)cc2)ccc(F)c1F ZINC000864018835 1049624925 /nfs/dbraw/zinc/62/49/25/1049624925.db2.gz YTPLOJUUALLGBB-UHFFFAOYSA-N 0 2 318.367 4.273 20 10 DICDLN C[C@@H]1c2cccn2CCN1Cc1cc(Cl)cc(Cl)c1O ZINC000768163296 1051892448 /nfs/dbraw/zinc/89/24/48/1051892448.db2.gz XSLSXFRVRFZTAI-SNVBAGLBSA-N 0 2 311.212 4.077 20 10 DICDLN C[N@@H+](Cc1ccc(F)cc1)Cc1c(O)ccc(Cl)c1Cl ZINC001237077238 1055358751 /nfs/dbraw/zinc/35/87/51/1055358751.db2.gz DOJKSVHRBRSMBE-UHFFFAOYSA-N 0 2 314.187 4.470 20 10 DICDLN Oc1ccc(Cl)c(Cl)c1CN1CCC[C@H]1c1ccncc1 ZINC001237080400 1055362591 /nfs/dbraw/zinc/36/25/91/1055362591.db2.gz BTXVJBFFKLJALH-AWEZNQCLSA-N 0 2 323.223 4.431 20 10 DICDLN O=[N+]([O-])c1ccc(O)c(CNc2ccc3c(c2)CCCCC3)c1 ZINC001461618439 1063616503 /nfs/dbraw/zinc/61/65/03/1063616503.db2.gz WNDOQRTYDFWAPP-UHFFFAOYSA-N 0 2 312.369 4.181 20 10 DICDLN CC[C@H](C)Oc1cccc(NCc2cc([N+](=O)[O-])ccc2O)c1 ZINC000747099006 1065075323 /nfs/dbraw/zinc/07/53/23/1065075323.db2.gz DDOKGWXBYGLLGC-LBPRGKRZSA-N 0 2 316.357 4.090 20 10 DICDLN CCN(Cc1cc(Cl)cc(Cl)c1O)CC(F)(F)F ZINC000132514389 1044326987 /nfs/dbraw/zinc/32/69/87/1044326987.db2.gz FZYPOHBSENBSCL-UHFFFAOYSA-N 0 2 302.123 4.083 20 10 DICDLN COc1cccc(Cl)c1CN[C@H](C)c1c(O)cccc1F ZINC000886599423 1044666453 /nfs/dbraw/zinc/66/64/53/1044666453.db2.gz YSMISUKHOSGEMJ-SNVBAGLBSA-N 0 2 309.768 4.044 20 10 DICDLN CC[C@H](C)c1nnc([C@H](C)N[C@@H](C)c2cc(Cl)ccc2O)[nH]1 ZINC000754106658 1045848541 /nfs/dbraw/zinc/84/85/41/1045848541.db2.gz RYZWXAXNHMGZME-DCAQKATOSA-N 0 2 322.840 4.089 20 10 DICDLN CCOc1ccc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)cc1F ZINC000756812825 1046139019 /nfs/dbraw/zinc/13/90/19/1046139019.db2.gz AOVVYGREAICHHX-JTQLQIEISA-N 0 2 320.320 4.011 20 10 DICDLN Oc1c(Cl)cc(Cl)cc1CN1Cc2cccc(F)c2C1 ZINC001203580936 1048934629 /nfs/dbraw/zinc/93/46/29/1048934629.db2.gz XDZHLAANBUXYEB-UHFFFAOYSA-N 0 2 312.171 4.354 20 10 DICDLN COc1ccc2c(c1)CN(Cc1cc(Cl)cc(Cl)c1O)C2 ZINC001203579865 1048935376 /nfs/dbraw/zinc/93/53/76/1048935376.db2.gz GMJVFRSUAHJUKN-UHFFFAOYSA-N 0 2 324.207 4.223 20 10 DICDLN C[C@@H](N[C@@H](C)C(F)(F)F)c1ccc(Cl)c(Cl)c1O ZINC000806660333 1051835808 /nfs/dbraw/zinc/83/58/08/1051835808.db2.gz BWNVFCPEXQIUAR-RITPCOANSA-N 0 2 302.123 4.300 20 10 DICDLN Oc1ccc(F)c(F)c1CN1CCC[C@H]1c1ccccc1F ZINC001233334709 1054238835 /nfs/dbraw/zinc/23/88/35/1054238835.db2.gz QNYJBLBKSZCVLM-HNNXBMFYSA-N 0 2 307.315 4.147 20 10 DICDLN Oc1ccc(Cl)c(Cl)c1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC001237076945 1055358340 /nfs/dbraw/zinc/35/83/40/1055358340.db2.gz AYBITRQFTZYQCE-AWEZNQCLSA-N 0 2 323.223 4.431 20 10 DICDLN Oc1ccc(Cl)c(Cl)c1CN1CCC[C@H]1c1cccnc1 ZINC001237076945 1055358353 /nfs/dbraw/zinc/35/83/53/1055358353.db2.gz AYBITRQFTZYQCE-AWEZNQCLSA-N 0 2 323.223 4.431 20 10 DICDLN [O-]c1ccc(Cl)c(Cl)c1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC001237076945 1055358367 /nfs/dbraw/zinc/35/83/67/1055358367.db2.gz AYBITRQFTZYQCE-AWEZNQCLSA-N 0 2 323.223 4.431 20 10 DICDLN CC[C@@H](C)c1cccc(NCc2cc([N+](=O)[O-])ccc2O)c1 ZINC001308471493 1066010797 /nfs/dbraw/zinc/01/07/97/1066010797.db2.gz ORQIBYCGYHRZCK-GFCCVEGCSA-N 0 2 300.358 4.426 20 10 DICDLN C[C@H](Nc1ccccc1OC(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000756869671 1042140229 /nfs/dbraw/zinc/14/02/29/1042140229.db2.gz BZRITMXSNIGCBV-VIFPVBQESA-N 0 2 324.283 4.075 20 10 DICDLN CC[C@H](C)c1nnc([C@@H](C)N[C@@H](C)c2cc(Cl)ccc2O)[nH]1 ZINC000754106660 1045848889 /nfs/dbraw/zinc/84/88/89/1045848889.db2.gz RYZWXAXNHMGZME-GARJFASQSA-N 0 2 322.840 4.089 20 10 DICDLN C[N@@H+](Cc1cccc(F)c1[O-])Cc1ccc(Cl)cc1Cl ZINC001138122486 1046102448 /nfs/dbraw/zinc/10/24/48/1046102448.db2.gz IOLQOUAHZNZJFI-UHFFFAOYSA-N 0 2 314.187 4.470 20 10 DICDLN C[N@H+](Cc1cccc(F)c1[O-])Cc1ccc(Cl)cc1Cl ZINC001138122486 1046102455 /nfs/dbraw/zinc/10/24/55/1046102455.db2.gz IOLQOUAHZNZJFI-UHFFFAOYSA-N 0 2 314.187 4.470 20 10 DICDLN CN(Cc1cccc(F)c1O)Cc1ccc(Cl)cc1Cl ZINC001138122486 1046102465 /nfs/dbraw/zinc/10/24/65/1046102465.db2.gz IOLQOUAHZNZJFI-UHFFFAOYSA-N 0 2 314.187 4.470 20 10 DICDLN CC(C)Oc1ccc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000756800657 1046137314 /nfs/dbraw/zinc/13/73/14/1046137314.db2.gz BXVSLKIPFSOCAU-LBPRGKRZSA-N 0 2 316.357 4.261 20 10 DICDLN C[C@@H](Nc1ccc(F)c(Cl)c1)c1cc([N+](=O)[O-])ccc1O ZINC000756865193 1046145946 /nfs/dbraw/zinc/14/59/46/1046145946.db2.gz PCFHAOYLFWZLTJ-MRVPVSSYSA-N 0 2 310.712 4.266 20 10 DICDLN CCOc1cc(C)ccc1N[C@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000756884307 1046149780 /nfs/dbraw/zinc/14/97/80/1046149780.db2.gz MMMHOXBEEJYQGN-GFCCVEGCSA-N 0 2 316.357 4.181 20 10 DICDLN Oc1c(Cl)cc(Cl)cc1CN1Cc2ccc(F)cc2C1 ZINC001203579868 1048934806 /nfs/dbraw/zinc/93/48/06/1048934806.db2.gz GPLJMTCIFZKMPX-UHFFFAOYSA-N 0 2 312.171 4.354 20 10 DICDLN Oc1c(Cl)cc(Cl)cc1CNc1ccc2c[nH]nc2c1 ZINC000037134374 1051114076 /nfs/dbraw/zinc/11/40/76/1051114076.db2.gz UBEXUHIMTCLILU-UHFFFAOYSA-N 0 2 308.168 4.187 20 10 DICDLN C[C@H]1c2cccn2CCN1Cc1cc(Cl)cc(Cl)c1O ZINC000768163294 1051891522 /nfs/dbraw/zinc/89/15/22/1051891522.db2.gz XSLSXFRVRFZTAI-JTQLQIEISA-N 0 2 311.212 4.077 20 10 DICDLN CCOCc1ccc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC001337801766 1054287782 /nfs/dbraw/zinc/28/77/82/1054287782.db2.gz WUCPNYRMWCWKNP-LBPRGKRZSA-N 0 2 316.357 4.010 20 10 DICDLN CC(F)(F)c1cccc(NCc2cc([N+](=O)[O-])ccc2O)c1 ZINC000189544840 1041704657 /nfs/dbraw/zinc/70/46/57/1041704657.db2.gz PFYVSHIOMWJONS-UHFFFAOYSA-N 0 2 308.284 4.024 20 10 DICDLN C[C@H](Nc1ccc(OC(F)F)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000756794617 1046137200 /nfs/dbraw/zinc/13/72/00/1046137200.db2.gz JPYIWJXDVAJONL-VIFPVBQESA-N 0 2 324.283 4.075 20 10 DICDLN CCCOc1cccc(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000756805768 1046139054 /nfs/dbraw/zinc/13/90/54/1046139054.db2.gz VFPPRNWOLZKCDF-GFCCVEGCSA-N 0 2 316.357 4.262 20 10 DICDLN C[C@@H](Nc1ccccc1OC(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000756869670 1046148103 /nfs/dbraw/zinc/14/81/03/1046148103.db2.gz BZRITMXSNIGCBV-SECBINFHSA-N 0 2 324.283 4.075 20 10 DICDLN C[C@@H](Nc1ccc(F)c(C2CC2)c1)c1cc([N+](=O)[O-])ccc1O ZINC000798939367 1046990060 /nfs/dbraw/zinc/99/00/60/1046990060.db2.gz MEBOIJABBLLOCG-SNVBAGLBSA-N 0 2 316.332 4.490 20 10 DICDLN Cc1ccc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)cc1Cl ZINC000863988375 1049609193 /nfs/dbraw/zinc/60/91/93/1049609193.db2.gz NCVYHMMIVQOJOZ-JTQLQIEISA-N 0 2 306.749 4.435 20 10 DICDLN CC[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(C)cc1O ZINC000794795866 1049696647 /nfs/dbraw/zinc/69/66/47/1049696647.db2.gz JHWPCDUTHSGXBQ-SJLPKXTDSA-N 0 2 315.461 4.053 20 10 DICDLN Oc1cc(F)c(F)cc1CN1CCC[C@@](F)(c2ccccc2)C1 ZINC001462515569 1061225253 /nfs/dbraw/zinc/22/52/53/1061225253.db2.gz IHLGSTVBAZUSMA-SFHVURJKSA-N 0 2 321.342 4.131 20 10 DICDLN CC(F)(F)c1ccccc1NCc1cc([N+](=O)[O-])ccc1O ZINC001461523562 1063555691 /nfs/dbraw/zinc/55/56/91/1063555691.db2.gz RMIIYMVHTKQJPC-UHFFFAOYSA-N 0 2 308.284 4.024 20 10 DICDLN CC(C)n1cc2c(n1)[C@@H]([NH2+][C@H](C)c1c(O)cccc1F)CCC2 ZINC001262077375 1063954852 /nfs/dbraw/zinc/95/48/52/1063954852.db2.gz CDBFRJZRICJOBN-DOMZBBRYSA-N 0 2 317.408 4.037 20 10 DICDLN CC(C)n1cc2c(n1)[C@@H]([NH2+][C@H](C)c1c([O-])cccc1F)CCC2 ZINC001262077375 1063954867 /nfs/dbraw/zinc/95/48/67/1063954867.db2.gz CDBFRJZRICJOBN-DOMZBBRYSA-N 0 2 317.408 4.037 20 10 DICDLN Cc1cc(C)c2cc(NCc3cc([N+](=O)[O-])ccc3O)ccc2n1 ZINC001308522356 1066043298 /nfs/dbraw/zinc/04/32/98/1066043298.db2.gz SLRCDMFFXDFYRO-UHFFFAOYSA-N 0 2 323.352 4.078 20 10 DICDLN C[C@H]([NH2+][C@@H](CF)c1ccc(F)cc1)c1cc(F)cc(F)c1[O-] ZINC000866596880 1043230584 /nfs/dbraw/zinc/23/05/84/1043230584.db2.gz TVAHWPNUKMDLPU-VFZGTOFNSA-N 0 2 313.294 4.171 20 10 DICDLN Oc1c(F)cccc1C[N@@H+]1CCC[C@H]1c1c(F)cccc1F ZINC001138129393 1046105103 /nfs/dbraw/zinc/10/51/03/1046105103.db2.gz ARCJYERLISPMCC-HNNXBMFYSA-N 0 2 307.315 4.147 20 10 DICDLN Oc1c(F)cccc1C[N@H+]1CCC[C@H]1c1c(F)cccc1F ZINC001138129393 1046105121 /nfs/dbraw/zinc/10/51/21/1046105121.db2.gz ARCJYERLISPMCC-HNNXBMFYSA-N 0 2 307.315 4.147 20 10 DICDLN Oc1c(F)cccc1CN1CCC[C@H]1c1c(F)cccc1F ZINC001138129393 1046105128 /nfs/dbraw/zinc/10/51/28/1046105128.db2.gz ARCJYERLISPMCC-HNNXBMFYSA-N 0 2 307.315 4.147 20 10 DICDLN [O-]c1c(F)cccc1C[N@H+]1CCC[C@H]1c1c(F)cccc1F ZINC001138129393 1046105135 /nfs/dbraw/zinc/10/51/35/1046105135.db2.gz ARCJYERLISPMCC-HNNXBMFYSA-N 0 2 307.315 4.147 20 10 DICDLN Oc1c(F)cccc1C[N@@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC001138129916 1046106366 /nfs/dbraw/zinc/10/63/66/1046106366.db2.gz ZGMYZQMDQXZCKO-INIZCTEOSA-N 0 2 307.315 4.147 20 10 DICDLN Oc1c(F)cccc1C[N@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC001138129916 1046106371 /nfs/dbraw/zinc/10/63/71/1046106371.db2.gz ZGMYZQMDQXZCKO-INIZCTEOSA-N 0 2 307.315 4.147 20 10 DICDLN CC(C)Oc1ccc(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000756800656 1046136759 /nfs/dbraw/zinc/13/67/59/1046136759.db2.gz BXVSLKIPFSOCAU-GFCCVEGCSA-N 0 2 316.357 4.261 20 10 DICDLN COc1ccc(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)cc1Cl ZINC000756794391 1046137550 /nfs/dbraw/zinc/13/75/50/1046137550.db2.gz GMZQFONWTFGGMN-SECBINFHSA-N 0 2 322.748 4.136 20 10 DICDLN CCOc1ccc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)c(C)c1 ZINC000756795061 1046137662 /nfs/dbraw/zinc/13/76/62/1046137662.db2.gz GCCVZAKDGZQCLW-LBPRGKRZSA-N 0 2 316.357 4.181 20 10 DICDLN COc1ccc(Cl)c(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000757626518 1046195921 /nfs/dbraw/zinc/19/59/21/1046195921.db2.gz ASTKJFAIEWDHKA-SECBINFHSA-N 0 2 322.748 4.136 20 10 DICDLN Cc1ccc(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)cc1Cl ZINC000863988376 1049609122 /nfs/dbraw/zinc/60/91/22/1049609122.db2.gz NCVYHMMIVQOJOZ-SNVBAGLBSA-N 0 2 306.749 4.435 20 10 DICDLN Oc1c(Cl)cc(Cl)cc1CN[C@H](C1CC1)C(F)(F)F ZINC000808438451 1052020862 /nfs/dbraw/zinc/02/08/62/1052020862.db2.gz FFNGKKPTKYHXAY-LLVKDONJSA-N 0 2 314.134 4.130 20 10 DICDLN Oc1cc(Cl)c(Cl)cc1CN1CCC[C@H]1c1ccncc1 ZINC001236797633 1055261097 /nfs/dbraw/zinc/26/10/97/1055261097.db2.gz ZQKMVOLWYLWMMW-HNNXBMFYSA-N 0 2 323.223 4.431 20 10 DICDLN Oc1cc(Cl)c(Cl)cc1CN1CCC[C@H]1c1cccnc1 ZINC001236792046 1055261976 /nfs/dbraw/zinc/26/19/76/1055261976.db2.gz AUVUYSFHHJTOGT-HNNXBMFYSA-N 0 2 323.223 4.431 20 10 DICDLN [O-]c1cc(Cl)c(Cl)cc1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC001236792046 1055261988 /nfs/dbraw/zinc/26/19/88/1055261988.db2.gz AUVUYSFHHJTOGT-HNNXBMFYSA-N 0 2 323.223 4.431 20 10 DICDLN [O-]c1cc(Cl)c(Cl)cc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC001236792046 1055262005 /nfs/dbraw/zinc/26/20/05/1055262005.db2.gz AUVUYSFHHJTOGT-HNNXBMFYSA-N 0 2 323.223 4.431 20 10 DICDLN CCCCc1ccc(NCc2cc([N+](=O)[O-])ccc2O)cc1 ZINC001648855820 1036645270 /nfs/dbraw/zinc/64/52/70/1036645270.db2.gz IMXMKYRZPZGGQI-UHFFFAOYSA-N 0 2 300.358 4.255 20 10 DICDLN C[C@@H]([NH2+][C@@H](CF)c1ccc(F)cc1)c1cc(F)cc(F)c1[O-] ZINC000866596876 1043230727 /nfs/dbraw/zinc/23/07/27/1043230727.db2.gz TVAHWPNUKMDLPU-PSLIRLAXSA-N 0 2 313.294 4.171 20 10 DICDLN CC(C)(C)Nc1ccccc1NCc1cc([N+](=O)[O-])ccc1O ZINC000281230653 1044108460 /nfs/dbraw/zinc/10/84/60/1044108460.db2.gz DRVPANPIGVNBJJ-UHFFFAOYSA-N 0 2 315.373 4.123 20 10 DICDLN CCCOc1ccc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000756854915 1046144337 /nfs/dbraw/zinc/14/43/37/1046144337.db2.gz BNPVROJTWSCEGB-LBPRGKRZSA-N 0 2 316.357 4.262 20 10 DICDLN Cc1ccc2cccc(N[C@H](C)c3cc([N+](=O)[O-])ccc3O)c2n1 ZINC000756871542 1046148080 /nfs/dbraw/zinc/14/80/80/1046148080.db2.gz ODCCBHXEGPRUHI-GFCCVEGCSA-N 0 2 323.352 4.330 20 10 DICDLN CO[C@@H](C)c1cccc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000757600518 1046191015 /nfs/dbraw/zinc/19/10/15/1046191015.db2.gz RPLFJNUNPVAYFP-RYUDHWBXSA-N 0 2 316.357 4.181 20 10 DICDLN CO[C@H](C)c1cccc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000757600517 1046191077 /nfs/dbraw/zinc/19/10/77/1046191077.db2.gz RPLFJNUNPVAYFP-NWDGAFQWSA-N 0 2 316.357 4.181 20 10 DICDLN COc1ccc(Cl)c(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000757626520 1046194944 /nfs/dbraw/zinc/19/49/44/1046194944.db2.gz ASTKJFAIEWDHKA-VIFPVBQESA-N 0 2 322.748 4.136 20 10 DICDLN CC[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(C)cc1O ZINC000794795863 1049696119 /nfs/dbraw/zinc/69/61/19/1049696119.db2.gz JHWPCDUTHSGXBQ-FUHWJXTLSA-N 0 2 315.461 4.053 20 10 DICDLN [O-]c1c(C[N@@H+]2CCc3sccc3C2)cccc1C(F)(F)F ZINC001233416708 1054267880 /nfs/dbraw/zinc/26/78/80/1054267880.db2.gz SGYBYKLMKORKRH-UHFFFAOYSA-N 0 2 313.344 4.031 20 10 DICDLN [O-]c1c(C[N@H+]2CCc3sccc3C2)cccc1C(F)(F)F ZINC001233416708 1054267894 /nfs/dbraw/zinc/26/78/94/1054267894.db2.gz SGYBYKLMKORKRH-UHFFFAOYSA-N 0 2 313.344 4.031 20 10 DICDLN Oc1c(CN2CCc3sccc3C2)cccc1C(F)(F)F ZINC001233416708 1054267908 /nfs/dbraw/zinc/26/79/08/1054267908.db2.gz SGYBYKLMKORKRH-UHFFFAOYSA-N 0 2 313.344 4.031 20 10 DICDLN Oc1ccc(Cl)c(F)c1CN1CC[C@](F)(c2ccccc2)C1 ZINC001462146617 1060968446 /nfs/dbraw/zinc/96/84/46/1060968446.db2.gz MFWMSERRXUWULW-QGZVFWFLSA-N 0 2 323.770 4.255 20 10 DICDLN COc1c(C)ccc(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)c1C ZINC000756793293 1046135178 /nfs/dbraw/zinc/13/51/78/1046135178.db2.gz YHGBYVZQDHLULL-GFCCVEGCSA-N 0 2 316.357 4.099 20 10 DICDLN C[C@@H](Nc1cccc(OC(F)F)c1)c1cc([N+](=O)[O-])ccc1O ZINC000756800784 1046137473 /nfs/dbraw/zinc/13/74/73/1046137473.db2.gz GCOJNTPGYQYFLX-SECBINFHSA-N 0 2 324.283 4.075 20 10 DICDLN CO[C@@H](C)c1cccc(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000757600516 1046191485 /nfs/dbraw/zinc/19/14/85/1046191485.db2.gz RPLFJNUNPVAYFP-NEPJUHHUSA-N 0 2 316.357 4.181 20 10 DICDLN Oc1c(Cl)cc(Cl)cc1CN1CCCCC(F)(F)C1 ZINC001203574016 1047953338 /nfs/dbraw/zinc/95/33/38/1047953338.db2.gz JTOPOXYULXHBOT-UHFFFAOYSA-N 0 2 310.171 4.320 20 10 DICDLN C[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1(F)F ZINC001203574285 1048933544 /nfs/dbraw/zinc/93/35/44/1048933544.db2.gz SLRHZFLTLOUBAV-QMMMGPOBSA-N 0 2 310.171 4.176 20 10 DICDLN COc1cccc2c1CN(Cc1cc(Cl)cc(Cl)c1O)C2 ZINC001203582000 1048937311 /nfs/dbraw/zinc/93/73/11/1048937311.db2.gz LJELSCIPDTVJOR-UHFFFAOYSA-N 0 2 324.207 4.223 20 10 DICDLN CC[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(C)cc1O ZINC000794795870 1049697428 /nfs/dbraw/zinc/69/74/28/1049697428.db2.gz JHWPCDUTHSGXBQ-WMZOPIPTSA-N 0 2 315.461 4.053 20 10 DICDLN COc1cc(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)ccc1Cl ZINC000788609435 1050707280 /nfs/dbraw/zinc/70/72/80/1050707280.db2.gz DJMYNCFMDMOHRZ-SECBINFHSA-N 0 2 322.748 4.136 20 10 DICDLN Oc1cc(Cl)c(Cl)cc1CN1CCC[C@H]1c1ccccn1 ZINC001236795963 1055264579 /nfs/dbraw/zinc/26/45/79/1055264579.db2.gz LOHPSTAHEMDBDZ-HNNXBMFYSA-N 0 2 323.223 4.431 20 10 DICDLN [O-]c1cc(Cl)c(Cl)cc1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC001236795963 1055264596 /nfs/dbraw/zinc/26/45/96/1055264596.db2.gz LOHPSTAHEMDBDZ-HNNXBMFYSA-N 0 2 323.223 4.431 20 10 DICDLN [O-]c1cc(Cl)c(Cl)cc1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC001236795963 1055264602 /nfs/dbraw/zinc/26/46/02/1055264602.db2.gz LOHPSTAHEMDBDZ-HNNXBMFYSA-N 0 2 323.223 4.431 20 10 DICDLN Oc1ccc(Cl)c(Cl)c1CN1CCC[C@H]1c1ccccn1 ZINC001237082355 1055362664 /nfs/dbraw/zinc/36/26/64/1055362664.db2.gz RAWXBUDOMMMSAW-AWEZNQCLSA-N 0 2 323.223 4.431 20 10 DICDLN [O-]c1ccc(Cl)c(Cl)c1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC001237082355 1055362683 /nfs/dbraw/zinc/36/26/83/1055362683.db2.gz RAWXBUDOMMMSAW-AWEZNQCLSA-N 0 2 323.223 4.431 20 10 DICDLN [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC001237082355 1055362699 /nfs/dbraw/zinc/36/26/99/1055362699.db2.gz RAWXBUDOMMMSAW-AWEZNQCLSA-N 0 2 323.223 4.431 20 10 DICDLN CCOCc1cccc(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000273499696 535720337 /nfs/dbraw/zinc/72/03/37/535720337.db2.gz PUJTVSULGYQOMH-GFCCVEGCSA-N 0 2 316.357 4.010 20 10 DICDLN Oc1c(F)cccc1C[N@@H+]1CCC[C@@H]1c1c(F)cccc1F ZINC001138129394 1046105469 /nfs/dbraw/zinc/10/54/69/1046105469.db2.gz ARCJYERLISPMCC-OAHLLOKOSA-N 0 2 307.315 4.147 20 10 DICDLN Oc1c(F)cccc1C[N@H+]1CCC[C@@H]1c1c(F)cccc1F ZINC001138129394 1046105482 /nfs/dbraw/zinc/10/54/82/1046105482.db2.gz ARCJYERLISPMCC-OAHLLOKOSA-N 0 2 307.315 4.147 20 10 DICDLN Oc1c(F)cccc1CN1CCC[C@@H]1c1c(F)cccc1F ZINC001138129394 1046105488 /nfs/dbraw/zinc/10/54/88/1046105488.db2.gz ARCJYERLISPMCC-OAHLLOKOSA-N 0 2 307.315 4.147 20 10 DICDLN [O-]c1c(F)cccc1C[N@H+]1CCC[C@@H]1c1c(F)cccc1F ZINC001138129394 1046105502 /nfs/dbraw/zinc/10/55/02/1046105502.db2.gz ARCJYERLISPMCC-OAHLLOKOSA-N 0 2 307.315 4.147 20 10 DICDLN COc1cc(C)cc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1C ZINC000786953551 1050528196 /nfs/dbraw/zinc/52/81/96/1050528196.db2.gz ZMZKJAVQFGQGJI-LBPRGKRZSA-N 0 2 316.357 4.099 20 10 DICDLN Oc1ccc(Cl)c(Cl)c1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC001237076952 1055358474 /nfs/dbraw/zinc/35/84/74/1055358474.db2.gz AYBITRQFTZYQCE-CQSZACIVSA-N 0 2 323.223 4.431 20 10 DICDLN Oc1ccc(Cl)c(Cl)c1CN1CCC[C@@H]1c1cccnc1 ZINC001237076952 1055358484 /nfs/dbraw/zinc/35/84/84/1055358484.db2.gz AYBITRQFTZYQCE-CQSZACIVSA-N 0 2 323.223 4.431 20 10 DICDLN [O-]c1ccc(Cl)c(Cl)c1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC001237076952 1055358496 /nfs/dbraw/zinc/35/84/96/1055358496.db2.gz AYBITRQFTZYQCE-CQSZACIVSA-N 0 2 323.223 4.431 20 10 DICDLN C[C@@H](Nc1ccc(OC(F)F)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000756794614 1046136798 /nfs/dbraw/zinc/13/67/98/1046136798.db2.gz JPYIWJXDVAJONL-SECBINFHSA-N 0 2 324.283 4.075 20 10 DICDLN COc1ccc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)cc1Cl ZINC000756794395 1046137720 /nfs/dbraw/zinc/13/77/20/1046137720.db2.gz GMZQFONWTFGGMN-VIFPVBQESA-N 0 2 322.748 4.136 20 10 DICDLN CCCOc1ccc(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000756854913 1046144127 /nfs/dbraw/zinc/14/41/27/1046144127.db2.gz BNPVROJTWSCEGB-GFCCVEGCSA-N 0 2 316.357 4.262 20 10 DICDLN COc1cc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)ccc1Cl ZINC000788609439 1050706584 /nfs/dbraw/zinc/70/65/84/1050706584.db2.gz DJMYNCFMDMOHRZ-VIFPVBQESA-N 0 2 322.748 4.136 20 10 DICDLN Oc1cc(Cl)c(Cl)cc1CN1CCC[C@@H]1c1ccccn1 ZINC001236795964 1055261196 /nfs/dbraw/zinc/26/11/96/1055261196.db2.gz LOHPSTAHEMDBDZ-OAHLLOKOSA-N 0 2 323.223 4.431 20 10 DICDLN [O-]c1cc(Cl)c(Cl)cc1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC001236795964 1055261209 /nfs/dbraw/zinc/26/12/09/1055261209.db2.gz LOHPSTAHEMDBDZ-OAHLLOKOSA-N 0 2 323.223 4.431 20 10 DICDLN [O-]c1cc(Cl)c(Cl)cc1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC001236795964 1055261220 /nfs/dbraw/zinc/26/12/20/1055261220.db2.gz LOHPSTAHEMDBDZ-OAHLLOKOSA-N 0 2 323.223 4.431 20 10 DICDLN Oc1cc(Cl)c(Cl)cc1CN1CCC[C@@H]1c1cccnc1 ZINC001236792048 1055263275 /nfs/dbraw/zinc/26/32/75/1055263275.db2.gz AUVUYSFHHJTOGT-OAHLLOKOSA-N 0 2 323.223 4.431 20 10 DICDLN [O-]c1cc(Cl)c(Cl)cc1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC001236792048 1055263292 /nfs/dbraw/zinc/26/32/92/1055263292.db2.gz AUVUYSFHHJTOGT-OAHLLOKOSA-N 0 2 323.223 4.431 20 10 DICDLN [O-]c1cc(Cl)c(Cl)cc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC001236792048 1055263307 /nfs/dbraw/zinc/26/33/07/1055263307.db2.gz AUVUYSFHHJTOGT-OAHLLOKOSA-N 0 2 323.223 4.431 20 10 DICDLN C[N@H+](Cc1ccsc1)Cc1c([O-])ccc(Cl)c1Cl ZINC001237083049 1055367988 /nfs/dbraw/zinc/36/79/88/1055367988.db2.gz XLOUNBNCJQBSMV-UHFFFAOYSA-N 0 2 302.226 4.393 20 10 DICDLN C[N@@H+](Cc1ccsc1)Cc1c([O-])ccc(Cl)c1Cl ZINC001237083049 1055367999 /nfs/dbraw/zinc/36/79/99/1055367999.db2.gz XLOUNBNCJQBSMV-UHFFFAOYSA-N 0 2 302.226 4.393 20 10 DICDLN CN(Cc1ccsc1)Cc1c(O)ccc(Cl)c1Cl ZINC001237083049 1055368014 /nfs/dbraw/zinc/36/80/14/1055368014.db2.gz XLOUNBNCJQBSMV-UHFFFAOYSA-N 0 2 302.226 4.393 20 10 DICDLN C[C@@H](Nc1ccc2scnc2c1)c1cc([N+](=O)[O-])ccc1O ZINC000754119701 1065923779 /nfs/dbraw/zinc/92/37/79/1065923779.db2.gz ARMHQTJGTXKLEG-SECBINFHSA-N 0 2 315.354 4.083 20 10 DICDLN CCOc1ccc(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)cc1F ZINC000756812826 1046138934 /nfs/dbraw/zinc/13/89/34/1046138934.db2.gz AOVVYGREAICHHX-SNVBAGLBSA-N 0 2 320.320 4.011 20 10 DICDLN Cc1ccc2cccc(N[C@@H](C)c3cc([N+](=O)[O-])ccc3O)c2n1 ZINC000756871548 1046147782 /nfs/dbraw/zinc/14/77/82/1046147782.db2.gz ODCCBHXEGPRUHI-LBPRGKRZSA-N 0 2 323.352 4.330 20 10 DICDLN CSCc1cccc(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000757605165 1046192881 /nfs/dbraw/zinc/19/28/81/1046192881.db2.gz TXHPCKGMMDMEMU-LLVKDONJSA-N 0 2 318.398 4.337 20 10 DICDLN CSCc1ccc(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000757600891 1047208646 /nfs/dbraw/zinc/20/86/46/1047208646.db2.gz USKCAPJFHGXCFL-LLVKDONJSA-N 0 2 318.398 4.337 20 10 DICDLN CCSCc1cccc(NCc2cc([N+](=O)[O-])ccc2O)c1 ZINC001178037368 1048982551 /nfs/dbraw/zinc/98/25/51/1048982551.db2.gz GSLLJWVNKFUSGY-UHFFFAOYSA-N 0 2 318.398 4.166 20 10 DICDLN COc1cc(Cl)ccc1N[C@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000775580606 1049186816 /nfs/dbraw/zinc/18/68/16/1049186816.db2.gz VRHQXWCJAXTIEI-SECBINFHSA-N 0 2 322.748 4.136 20 10 DICDLN CC[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(C)cc1O ZINC000794795859 1049697537 /nfs/dbraw/zinc/69/75/37/1049697537.db2.gz JHWPCDUTHSGXBQ-AEFFLSMTSA-N 0 2 315.461 4.053 20 10 DICDLN CC(C)[C@H](NCc1cc(Cl)cc(Cl)c1O)C(F)(F)F ZINC000786835676 1050519551 /nfs/dbraw/zinc/51/95/51/1050519551.db2.gz FNDDYIRFXAGTMW-NSHDSACASA-N 0 2 316.150 4.376 20 10 DICDLN CC[N@H+](Cc1ccncc1)Cc1c([O-])ccc(Cl)c1Cl ZINC001237077617 1055365286 /nfs/dbraw/zinc/36/52/86/1055365286.db2.gz ISIIWXYMLCPHJY-UHFFFAOYSA-N 0 2 311.212 4.116 20 10 DICDLN CC[N@@H+](Cc1ccncc1)Cc1c([O-])ccc(Cl)c1Cl ZINC001237077617 1055365300 /nfs/dbraw/zinc/36/53/00/1055365300.db2.gz ISIIWXYMLCPHJY-UHFFFAOYSA-N 0 2 311.212 4.116 20 10 DICDLN CCN(Cc1ccncc1)Cc1c(O)ccc(Cl)c1Cl ZINC001237077617 1055365319 /nfs/dbraw/zinc/36/53/19/1055365319.db2.gz ISIIWXYMLCPHJY-UHFFFAOYSA-N 0 2 311.212 4.116 20 10 DICDLN CCc1ccc(CC)c(NCc2cc([N+](=O)[O-])ccc2O)c1 ZINC001620847175 1055474116 /nfs/dbraw/zinc/47/41/16/1055474116.db2.gz IHERTMHDKIIKQA-UHFFFAOYSA-N 0 2 300.358 4.037 20 10 DICDLN C[C@H](Nc1cccc(OC(F)F)c1)c1cc([N+](=O)[O-])ccc1O ZINC000756800786 1042068260 /nfs/dbraw/zinc/06/82/60/1042068260.db2.gz GCOJNTPGYQYFLX-VIFPVBQESA-N 0 2 324.283 4.075 20 10 DICDLN CCC[C@@H](C(=O)c1ccccc1)[N@H+](C)Cc1cccc(F)c1O ZINC001138131172 1046104997 /nfs/dbraw/zinc/10/49/97/1046104997.db2.gz SEKXJEZNMWBCDI-KRWDZBQOSA-N 0 2 315.388 4.015 20 10 DICDLN CCC[C@@H](C(=O)c1ccccc1)[N@@H+](C)Cc1cccc(F)c1O ZINC001138131172 1046105015 /nfs/dbraw/zinc/10/50/15/1046105015.db2.gz SEKXJEZNMWBCDI-KRWDZBQOSA-N 0 2 315.388 4.015 20 10 DICDLN CSCc1cccc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000757605166 1046193467 /nfs/dbraw/zinc/19/34/67/1046193467.db2.gz TXHPCKGMMDMEMU-NSHDSACASA-N 0 2 318.398 4.337 20 10 DICDLN Oc1c(Cl)cc(Cl)cc1CN1CCC[C@H]1C(F)(F)F ZINC001203573422 1048933663 /nfs/dbraw/zinc/93/36/63/1048933663.db2.gz AIQYECBXZKWRKU-JTQLQIEISA-N 0 2 314.134 4.226 20 10 DICDLN Cc1ccc(NCc2cc([N+](=O)[O-])ccc2O)cc1OC(C)C ZINC000785537095 1050386767 /nfs/dbraw/zinc/38/67/67/1050386767.db2.gz IGHIEBWCVPPRHM-UHFFFAOYSA-N 0 2 316.357 4.008 20 10 DICDLN CC[C@@H](C)Oc1cccc(NCc2cc([N+](=O)[O-])ccc2O)c1 ZINC000747099005 1065074999 /nfs/dbraw/zinc/07/49/99/1065074999.db2.gz DDOKGWXBYGLLGC-GFCCVEGCSA-N 0 2 316.357 4.090 20 10 DICDLN Cc1cc(OC(C)C)ccc1NCc1cc([N+](=O)[O-])ccc1O ZINC001308210514 1065817863 /nfs/dbraw/zinc/81/78/63/1065817863.db2.gz CLWKQKNKUUIVNE-UHFFFAOYSA-N 0 2 316.357 4.008 20 10 DICDLN C[C@@H]([NH2+][C@H](CF)c1ccc(F)cc1)c1cc(F)cc(F)c1[O-] ZINC000866596878 1043229893 /nfs/dbraw/zinc/22/98/93/1043229893.db2.gz TVAHWPNUKMDLPU-RFAUZJTJSA-N 0 2 313.294 4.171 20 10 DICDLN CN(Cc1cccc(F)c1O)Cc1cccc(Cl)c1Cl ZINC001138127767 1046101968 /nfs/dbraw/zinc/10/19/68/1046101968.db2.gz OURUILGCBKKALZ-UHFFFAOYSA-N 0 2 314.187 4.470 20 10 DICDLN C[N@H+](Cc1cccc(F)c1[O-])Cc1cccc(Cl)c1Cl ZINC001138127767 1046101978 /nfs/dbraw/zinc/10/19/78/1046101978.db2.gz OURUILGCBKKALZ-UHFFFAOYSA-N 0 2 314.187 4.470 20 10 DICDLN C[N@@H+](Cc1cccc(F)c1[O-])Cc1cccc(Cl)c1Cl ZINC001138127767 1046101985 /nfs/dbraw/zinc/10/19/85/1046101985.db2.gz OURUILGCBKKALZ-UHFFFAOYSA-N 0 2 314.187 4.470 20 10 DICDLN CCC[C@H](C(=O)c1ccccc1)[N@H+](C)Cc1cccc(F)c1O ZINC001138131173 1046105883 /nfs/dbraw/zinc/10/58/83/1046105883.db2.gz SEKXJEZNMWBCDI-QGZVFWFLSA-N 0 2 315.388 4.015 20 10 DICDLN CCC[C@H](C(=O)c1ccccc1)[N@@H+](C)Cc1cccc(F)c1O ZINC001138131173 1046105892 /nfs/dbraw/zinc/10/58/92/1046105892.db2.gz SEKXJEZNMWBCDI-QGZVFWFLSA-N 0 2 315.388 4.015 20 10 DICDLN CSc1ccc(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000756797233 1046136979 /nfs/dbraw/zinc/13/69/79/1046136979.db2.gz PRYILGVXSRUHNJ-SNVBAGLBSA-N 0 2 304.371 4.195 20 10 DICDLN CCCOc1ccccc1N[C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000756833317 1046140360 /nfs/dbraw/zinc/14/03/60/1046140360.db2.gz XLXVAFOHXCZMOF-LBPRGKRZSA-N 0 2 316.357 4.262 20 10 DICDLN C[C@H](Nc1cc(F)cc(Cl)c1)c1cc([N+](=O)[O-])ccc1O ZINC000756872803 1046147600 /nfs/dbraw/zinc/14/76/00/1046147600.db2.gz WKBNKNSOONBADI-QMMMGPOBSA-N 0 2 310.712 4.266 20 10 DICDLN COc1ccc(Cl)cc1N[C@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000756871233 1046147720 /nfs/dbraw/zinc/14/77/20/1046147720.db2.gz OBPPQUCIHVTBMT-SECBINFHSA-N 0 2 322.748 4.136 20 10 DICDLN Cc1ccc(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)c2cccnc12 ZINC000756869298 1046148122 /nfs/dbraw/zinc/14/81/22/1046148122.db2.gz QVNNEDMLLYHZDX-GFCCVEGCSA-N 0 2 323.352 4.330 20 10 DICDLN COc1cc(C)c(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)cc1C ZINC000774481116 1049673823 /nfs/dbraw/zinc/67/38/23/1049673823.db2.gz APBRQLFLQKHSNR-GFCCVEGCSA-N 0 2 316.357 4.099 20 10 DICDLN COc1cc(C)c(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)cc1C ZINC000774481118 1049674325 /nfs/dbraw/zinc/67/43/25/1049674325.db2.gz APBRQLFLQKHSNR-LBPRGKRZSA-N 0 2 316.357 4.099 20 10 DICDLN COc1cc(C)cc(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)c1C ZINC000786953548 1050528737 /nfs/dbraw/zinc/52/87/37/1050528737.db2.gz ZMZKJAVQFGQGJI-GFCCVEGCSA-N 0 2 316.357 4.099 20 10 DICDLN Oc1cc(Cl)c(Cl)cc1CN1CCC[C@@H]1c1ccncc1 ZINC001236797634 1055262643 /nfs/dbraw/zinc/26/26/43/1055262643.db2.gz ZQKMVOLWYLWMMW-OAHLLOKOSA-N 0 2 323.223 4.431 20 10 DICDLN Cc1cc(NCc2cc([N+](=O)[O-])ccc2O)cc(C)c1Cl ZINC001560451020 1060241910 /nfs/dbraw/zinc/24/19/10/1060241910.db2.gz XAVPDMBGEUUZNO-UHFFFAOYSA-N 0 2 306.749 4.183 20 10 DICDLN C[C@H](Nc1ccc2scnc2c1)c1cc([N+](=O)[O-])ccc1O ZINC000754119703 1065922765 /nfs/dbraw/zinc/92/27/65/1065922765.db2.gz ARMHQTJGTXKLEG-VIFPVBQESA-N 0 2 315.354 4.083 20 10 DICDLN CCCOc1cccc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000756805769 1046139000 /nfs/dbraw/zinc/13/90/00/1046139000.db2.gz VFPPRNWOLZKCDF-LBPRGKRZSA-N 0 2 316.357 4.262 20 10 DICDLN CO[C@H](C)c1cccc(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000757600519 1047208361 /nfs/dbraw/zinc/20/83/61/1047208361.db2.gz RPLFJNUNPVAYFP-VXGBXAGGSA-N 0 2 316.357 4.181 20 10 DICDLN COc1ccc2cc(NCc3cc([N+](=O)[O-])ccc3O)ccc2c1 ZINC000796457354 1047298877 /nfs/dbraw/zinc/29/88/77/1047298877.db2.gz DMYXUNPZUXEMHQ-UHFFFAOYSA-N 0 2 324.336 4.074 20 10 DICDLN CCSc1cccc(NCc2cc([N+](=O)[O-])ccc2O)c1 ZINC001178103954 1048985502 /nfs/dbraw/zinc/98/55/02/1048985502.db2.gz JOGWLIPQKMKPKC-UHFFFAOYSA-N 0 2 304.371 4.025 20 10 DICDLN CCOCc1ccc(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC001337801765 1054287746 /nfs/dbraw/zinc/28/77/46/1054287746.db2.gz WUCPNYRMWCWKNP-GFCCVEGCSA-N 0 2 316.357 4.010 20 10 DICDLN Oc1ccc(Cl)c(Cl)c1CN1CCC[C@@H]1c1ccccn1 ZINC001237082363 1055364350 /nfs/dbraw/zinc/36/43/50/1055364350.db2.gz RAWXBUDOMMMSAW-CQSZACIVSA-N 0 2 323.223 4.431 20 10 DICDLN [O-]c1ccc(Cl)c(Cl)c1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC001237082363 1055364365 /nfs/dbraw/zinc/36/43/65/1055364365.db2.gz RAWXBUDOMMMSAW-CQSZACIVSA-N 0 2 323.223 4.431 20 10 DICDLN [O-]c1ccc(Cl)c(Cl)c1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC001237082363 1055364379 /nfs/dbraw/zinc/36/43/79/1055364379.db2.gz RAWXBUDOMMMSAW-CQSZACIVSA-N 0 2 323.223 4.431 20 10 DICDLN CCCOc1ccc(NCc2cc([N+](=O)[O-])ccc2O)cc1C ZINC001621023984 1055988721 /nfs/dbraw/zinc/98/87/21/1055988721.db2.gz FVRZSQAPNRXRBH-UHFFFAOYSA-N 0 2 316.357 4.010 20 10 DICDLN CC(C)n1cc2c(n1)[C@@H]([NH2+][C@@H](C)c1c(O)cccc1F)CCC2 ZINC001262077378 1063954603 /nfs/dbraw/zinc/95/46/03/1063954603.db2.gz CDBFRJZRICJOBN-WFASDCNBSA-N 0 2 317.408 4.037 20 10 DICDLN CC(C)n1cc2c(n1)[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)CCC2 ZINC001262077378 1063954622 /nfs/dbraw/zinc/95/46/22/1063954622.db2.gz CDBFRJZRICJOBN-WFASDCNBSA-N 0 2 317.408 4.037 20 10 DICDLN