smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc([C@@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3[C@@H]3C=CC[C@H]32)c1 ZINC000000653941 568459770 /nfs/dbraw/zinc/45/97/70/568459770.db2.gz BFPNPUOQODBWAM-RQTOMXEWSA-N -1 3 416.546 5.622 50 10 HKCAHM Cc1cccc(N[C@H](c2ccc3ccc(C)nc3c2[O-])c2ccccc2[N+](=O)[O-])n1 ZINC000000684022 557057704 /nfs/dbraw/zinc/05/77/04/557057704.db2.gz HCXGCAWPVBLUSN-QFIPXVFZSA-N -1 3 400.438 5.062 50 10 HKCAHM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 ZINC000000721734 557071001 /nfs/dbraw/zinc/07/10/01/557071001.db2.gz JDKXRPSDECBQLG-UHFFFAOYSA-N -1 3 405.560 5.187 50 10 HKCAHM CCc1ccc(S(=O)(=O)[N-]c2ccc(O)c(-c3c(O)ccc4ccccc43)c2)cc1 ZINC000000781553 568474950 /nfs/dbraw/zinc/47/49/50/568474950.db2.gz TUKGQHYMGHPXPZ-UHFFFAOYSA-N -1 3 419.502 5.281 50 10 HKCAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(-c3c(O)ccc4ccccc43)c2)cc1 ZINC000000781554 568475054 /nfs/dbraw/zinc/47/50/54/568475054.db2.gz LSZNNKFDPOPYBA-UHFFFAOYSA-N -1 3 405.475 5.027 50 10 HKCAHM O=C(CCc1ccccc1)N[C@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1[O-] ZINC000000801025 557084990 /nfs/dbraw/zinc/08/49/90/557084990.db2.gz YBGYATYBQKVXTK-HSZRJFAPSA-N -1 3 416.908 5.432 50 10 HKCAHM CC(C)CC(=O)N[C@@H](c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1[O-] ZINC000000801026 557084924 /nfs/dbraw/zinc/08/49/24/557084924.db2.gz RYNCRISZMOBICO-FQEVSTJZSA-N -1 3 403.309 5.499 50 10 HKCAHM CC(C)CC(=O)N[C@H](c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1[O-] ZINC000000801027 557084946 /nfs/dbraw/zinc/08/49/46/557084946.db2.gz RYNCRISZMOBICO-HXUWFJFHSA-N -1 3 403.309 5.499 50 10 HKCAHM COc1ccc([C@H](NC(=O)CCc2ccccc2)c2c([O-])ccc3ccccc32)cc1 ZINC000000801049 557084964 /nfs/dbraw/zinc/08/49/64/557084964.db2.gz LWUJPESXUWWCNS-MHZLTWQESA-N -1 3 411.501 5.392 50 10 HKCAHM COc1ccc([C@@H](NC(=O)CCc2ccccc2)c2c([O-])ccc3ccccc32)cc1 ZINC000000801050 557084894 /nfs/dbraw/zinc/08/48/94/557084894.db2.gz LWUJPESXUWWCNS-HHHXNRCGSA-N -1 3 411.501 5.392 50 10 HKCAHM O=C(CCc1ccccc1)N[C@@H](c1cccs1)c1cc(Cl)c2cccnc2c1[O-] ZINC000000801102 568484746 /nfs/dbraw/zinc/48/47/46/568484746.db2.gz SRLJNSQTNHJWPA-OAQYLSRUSA-N -1 3 422.937 5.494 50 10 HKCAHM O=C(CCc1ccccc1)N[C@H](c1cccs1)c1cc(Cl)c2cccnc2c1[O-] ZINC000000801103 568484808 /nfs/dbraw/zinc/48/48/08/568484808.db2.gz SRLJNSQTNHJWPA-NRFANRHFSA-N -1 3 422.937 5.494 50 10 HKCAHM O=C(Cc1ccccc1)N[C@@H](c1ccccc1Cl)c1ccc2cccnc2c1[O-] ZINC000000855591 568712949 /nfs/dbraw/zinc/71/29/49/568712949.db2.gz APNYAIWPQZJKMP-QHCPKHFHSA-N -1 3 402.881 5.042 50 10 HKCAHM O=C(Cc1ccccc1)N[C@H](c1ccccc1Cl)c1ccc2cccnc2c1[O-] ZINC000000855592 568712877 /nfs/dbraw/zinc/71/28/77/568712877.db2.gz APNYAIWPQZJKMP-HSZRJFAPSA-N -1 3 402.881 5.042 50 10 HKCAHM O=C(Cc1ccccc1)N[C@@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1[O-] ZINC000000855593 568712904 /nfs/dbraw/zinc/71/29/04/568712904.db2.gz QKUARQZZQSNWOP-QFIPXVFZSA-N -1 3 402.881 5.042 50 10 HKCAHM O=C(Cc1ccccc1)N[C@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1[O-] ZINC000000855780 568712970 /nfs/dbraw/zinc/71/29/70/568712970.db2.gz QKUARQZZQSNWOP-JOCHJYFZSA-N -1 3 402.881 5.042 50 10 HKCAHM CCC(=O)N[C@@H](c1ccc(Cl)cc1Cl)c1cc(Cl)c2cccnc2c1[O-] ZINC000000869286 568725469 /nfs/dbraw/zinc/72/54/69/568725469.db2.gz CSERSHHRAKBIBN-KRWDZBQOSA-N -1 3 409.700 5.516 50 10 HKCAHM CCC(=O)N[C@H](c1ccc(Cl)cc1Cl)c1cc(Cl)c2cccnc2c1[O-] ZINC000000869287 568725572 /nfs/dbraw/zinc/72/55/72/568725572.db2.gz CSERSHHRAKBIBN-QGZVFWFLSA-N -1 3 409.700 5.516 50 10 HKCAHM CC(C)=CCc1c([O-])c2c(=O)c(-c3ccc(O)c(O)c3)coc2c2c1OC(C)(C)C=C2 ZINC000000899897 291286753 /nfs/dbraw/zinc/28/67/53/291286753.db2.gz GHCZYXUOYFOXIP-UHFFFAOYSA-N -1 3 420.461 5.270 50 10 aggregator,biogenic,in-vitro HKCAHM Cc1ccc2ccc([C@H](Nc3cccc(C(F)(F)F)c3)c3cccnc3)c([O-])c2n1 ZINC000000940831 568753115 /nfs/dbraw/zinc/75/31/15/568753115.db2.gz SQRMMLZBFZELJU-HXUWFJFHSA-N -1 3 409.411 5.864 50 10 HKCAHM Cc1ccc2ccc([C@@H](Nc3cccc(C(F)(F)F)c3)c3cccnc3)c([O-])c2n1 ZINC000000940832 568753091 /nfs/dbraw/zinc/75/30/91/568753091.db2.gz SQRMMLZBFZELJU-FQEVSTJZSA-N -1 3 409.411 5.864 50 10 HKCAHM O=c1c2ccc([O-])c(CN3CCCC3)c2oc(C(F)(F)F)c1-c1ccc(Cl)cc1 ZINC000000944812 568754399 /nfs/dbraw/zinc/75/43/99/568754399.db2.gz BJRIMGQBYRRCGW-UHFFFAOYSA-N -1 3 423.818 5.434 50 10 biogenic HKCAHM O=c1c2ccc([O-])c(CN3CCCC3)c2oc(C(F)(F)F)c1-c1ccccc1Cl ZINC000000944817 568754323 /nfs/dbraw/zinc/75/43/23/568754323.db2.gz ISOQWYWWIWRDLV-UHFFFAOYSA-N -1 3 423.818 5.434 50 10 HKCAHM O=c1c2ccc([O-])c(CN3CCCC3)c2oc(C(F)(F)F)c1-c1cccc(Cl)c1 ZINC000000944818 568754422 /nfs/dbraw/zinc/75/44/22/568754422.db2.gz BYKFHSCEKSFEKX-UHFFFAOYSA-N -1 3 423.818 5.434 50 10 HKCAHM Cc1cccc(N[C@@H](c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2[O-])n1 ZINC000000946891 568754706 /nfs/dbraw/zinc/75/47/06/568754706.db2.gz HUHLXTYKRKEJDP-FQEVSTJZSA-N -1 3 409.411 5.864 50 10 HKCAHM Cc1cccc(N[C@H](c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2[O-])n1 ZINC000000946892 568754629 /nfs/dbraw/zinc/75/46/29/568754629.db2.gz HUHLXTYKRKEJDP-HXUWFJFHSA-N -1 3 409.411 5.864 50 10 HKCAHM COc1cc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc(Cl)c1[O-] ZINC000000998025 557138810 /nfs/dbraw/zinc/13/88/10/557138810.db2.gz QJLIVPIOOBMECF-LFYBBSHMSA-N -1 3 411.672 5.167 50 10 HKCAHM CC(C)c1ccc(/C=C2/SC(=S)N([N-]C(=O)c3ccccc3Cl)C2=O)cc1 ZINC000001028564 568763939 /nfs/dbraw/zinc/76/39/39/568763939.db2.gz FZWZMHPPIMPAKE-GZTJUZNOSA-N -1 3 416.955 5.010 50 10 HKCAHM CCOc1cc([C@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2[O-])ccc1OC ZINC000001169061 569284516 /nfs/dbraw/zinc/28/45/16/569284516.db2.gz ZUOOFZJZQYFZQW-QHCPKHFHSA-N -1 3 415.493 5.253 50 10 HKCAHM CCOc1cc([C@@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2[O-])ccc1OC ZINC000001169062 569284495 /nfs/dbraw/zinc/28/44/95/569284495.db2.gz ZUOOFZJZQYFZQW-HSZRJFAPSA-N -1 3 415.493 5.253 50 10 HKCAHM COc1ccc([C@H](NC(=O)c2cccc(OC)c2)c2c([O-])ccc3ccccc32)cc1 ZINC000001169936 558775821 /nfs/dbraw/zinc/77/58/21/558775821.db2.gz ACBKBFVYIWTPOR-VWLOTQADSA-N -1 3 413.473 5.082 50 10 HKCAHM COc1ccc([C@@H](NC(=O)c2cccc(OC)c2)c2c([O-])ccc3ccccc32)cc1 ZINC000001169937 558775815 /nfs/dbraw/zinc/77/58/15/558775815.db2.gz ACBKBFVYIWTPOR-RUZDIDTESA-N -1 3 413.473 5.082 50 10 HKCAHM CCOc1ccc([C@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2[O-])cc1OC ZINC000001184900 557233283 /nfs/dbraw/zinc/23/32/83/557233283.db2.gz XVTIDQOMNUCNHZ-QHCPKHFHSA-N -1 3 415.493 5.253 50 10 HKCAHM CCOc1ccc([C@@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2[O-])cc1OC ZINC000001184901 557233202 /nfs/dbraw/zinc/23/32/02/557233202.db2.gz XVTIDQOMNUCNHZ-HSZRJFAPSA-N -1 3 415.493 5.253 50 10 HKCAHM CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(CN(CC)CC)c1[O-] ZINC000001230866 568877776 /nfs/dbraw/zinc/87/77/76/568877776.db2.gz WPKYIRQWHZSCGE-UHFFFAOYSA-N -1 3 408.523 5.180 50 10 HKCAHM COc1ccc([C@H]2CC(c3cc(Cl)ccc3[O-])=NN2C(=O)c2ccc(C)cc2)cc1 ZINC000001274663 568910125 /nfs/dbraw/zinc/91/01/25/568910125.db2.gz LPYDAPIIZYKMAO-JOCHJYFZSA-N -1 3 420.896 5.354 50 10 HKCAHM COc1ccc([C@@H]2CC(c3cc(Cl)ccc3[O-])=NN2C(=O)c2ccc(C)cc2)cc1 ZINC000001274664 568910118 /nfs/dbraw/zinc/91/01/18/568910118.db2.gz LPYDAPIIZYKMAO-QFIPXVFZSA-N -1 3 420.896 5.354 50 10 HKCAHM COc1ccc([C@H]2CC(c3cc(Cl)ccc3[O-])=NN2C(=O)c2ccccc2)cc1 ZINC000001278073 568909945 /nfs/dbraw/zinc/90/99/45/568909945.db2.gz RWRWPEVKLHPRKW-OAQYLSRUSA-N -1 3 406.869 5.046 50 10 HKCAHM COc1ccc([C@@H]2CC(c3cc(Cl)ccc3[O-])=NN2C(=O)c2ccccc2)cc1 ZINC000001278074 568910066 /nfs/dbraw/zinc/91/00/66/568910066.db2.gz RWRWPEVKLHPRKW-NRFANRHFSA-N -1 3 406.869 5.046 50 10 HKCAHM Cc1cc(N[C@@H](c2cccc(Br)c2)c2ccc3cccnc3c2[O-])no1 ZINC000001463260 568989016 /nfs/dbraw/zinc/98/90/16/568989016.db2.gz BECYYTNLACTYRC-SFHVURJKSA-N -1 3 410.271 5.201 50 10 HKCAHM Cc1cc(N[C@H](c2cccc(Br)c2)c2ccc3cccnc3c2[O-])no1 ZINC000001463261 568988997 /nfs/dbraw/zinc/98/89/97/568988997.db2.gz BECYYTNLACTYRC-GOSISDBHSA-N -1 3 410.271 5.201 50 10 HKCAHM O=C(N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21)c1ccc(Cl)cc1Cl ZINC000001782197 557287134 /nfs/dbraw/zinc/28/71/34/557287134.db2.gz CVWMWYVROPXMSE-QHCPKHFHSA-N -1 3 422.311 6.372 50 10 HKCAHM O=C(N[C@H](c1ccccc1)c1c([O-])ccc2ccccc21)c1ccc(Cl)cc1Cl ZINC000001782198 557287449 /nfs/dbraw/zinc/28/74/49/557287449.db2.gz CVWMWYVROPXMSE-HSZRJFAPSA-N -1 3 422.311 6.372 50 10 HKCAHM O=C(COc1ccc(Cl)cc1)N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21 ZINC000001782200 569052805 /nfs/dbraw/zinc/05/28/05/569052805.db2.gz CXKYICAHSFCJJW-VWLOTQADSA-N -1 3 417.892 5.483 50 10 HKCAHM O=C(COc1ccc(Cl)cc1)N[C@H](c1ccccc1)c1c([O-])ccc2ccccc21 ZINC000001782201 569052843 /nfs/dbraw/zinc/05/28/43/569052843.db2.gz CXKYICAHSFCJJW-RUZDIDTESA-N -1 3 417.892 5.483 50 10 HKCAHM CCc1cc2c(=O)c(-c3nc4ccccc4s3)c(C)oc2c(CN(CC)CC)c1[O-] ZINC000002196636 569294641 /nfs/dbraw/zinc/29/46/41/569294641.db2.gz ZEOPXGBTZBRAML-UHFFFAOYSA-N -1 3 422.550 5.488 50 10 HKCAHM CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@H](c1cc(Br)ccc1[O-])N2 ZINC000002269743 557332844 /nfs/dbraw/zinc/33/28/44/557332844.db2.gz HUQQKHCPDVDHOZ-LJQANCHMSA-N -1 3 404.348 6.253 50 10 HKCAHM CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@@H](c1cc(Br)ccc1[O-])N2 ZINC000002269744 557332982 /nfs/dbraw/zinc/33/29/82/557332982.db2.gz HUQQKHCPDVDHOZ-IBGZPJMESA-N -1 3 404.348 6.253 50 10 HKCAHM CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(CN2CCCC[C@H]2CC)c1[O-] ZINC000002286047 560559502 /nfs/dbraw/zinc/55/95/02/560559502.db2.gz YUNACLYNVFWEMY-MRXNPFEDSA-N -1 3 412.555 5.257 50 10 HKCAHM CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(CN2CCCC[C@@H]2CC)c1[O-] ZINC000002286049 569364647 /nfs/dbraw/zinc/36/46/47/569364647.db2.gz YUNACLYNVFWEMY-INIZCTEOSA-N -1 3 412.555 5.257 50 10 HKCAHM CCOC(=O)c1[n-]c2ccc(F)cc2c1/N=N/N1CCC(Cc2ccccc2)CC1 ZINC000002310015 569372826 /nfs/dbraw/zinc/37/28/26/569372826.db2.gz LNMLLQBWOFUSAL-CYYJNZCTSA-N -1 3 408.477 5.437 50 10 HKCAHM [O-]c1c([C@@H](Nc2ccccn2)c2ccccc2Br)ccc2cccnc21 ZINC000002470329 557350840 /nfs/dbraw/zinc/35/08/40/557350840.db2.gz YZHVIFXNIMXFGO-FQEVSTJZSA-N -1 3 406.283 5.299 50 10 HKCAHM [O-]c1c([C@H](Nc2ccccn2)c2ccccc2Br)ccc2cccnc21 ZINC000002470335 557350878 /nfs/dbraw/zinc/35/08/78/557350878.db2.gz YZHVIFXNIMXFGO-HXUWFJFHSA-N -1 3 406.283 5.299 50 10 HKCAHM Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccc(Br)cc3)c([O-])c2n1 ZINC000002486092 568775304 /nfs/dbraw/zinc/77/53/04/568775304.db2.gz WVDJYHRKJJUSFE-HXUWFJFHSA-N -1 3 420.310 5.608 50 10 HKCAHM Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccc(Br)cc3)c([O-])c2n1 ZINC000002486098 568775296 /nfs/dbraw/zinc/77/52/96/568775296.db2.gz WVDJYHRKJJUSFE-FQEVSTJZSA-N -1 3 420.310 5.608 50 10 HKCAHM Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccccc3Br)c([O-])c2n1 ZINC000002497722 557352837 /nfs/dbraw/zinc/35/28/37/557352837.db2.gz IHCROUNMYVWTAS-OAQYLSRUSA-N -1 3 420.310 5.608 50 10 HKCAHM Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccccc3Br)c([O-])c2n1 ZINC000002497728 557352956 /nfs/dbraw/zinc/35/29/56/557352956.db2.gz IHCROUNMYVWTAS-NRFANRHFSA-N -1 3 420.310 5.608 50 10 HKCAHM Cc1ccc2ccc([C@H](Nc3ccccn3)c3cccc(Br)c3)c([O-])c2n1 ZINC000002502840 568777234 /nfs/dbraw/zinc/77/72/34/568777234.db2.gz YZUGFHRZBGXJSE-HXUWFJFHSA-N -1 3 420.310 5.608 50 10 HKCAHM Cc1ccc2ccc([C@@H](Nc3ccccn3)c3cccc(Br)c3)c([O-])c2n1 ZINC000002502841 568777316 /nfs/dbraw/zinc/77/73/16/568777316.db2.gz YZUGFHRZBGXJSE-FQEVSTJZSA-N -1 3 420.310 5.608 50 10 HKCAHM Cc1ccc(CN2C(=O)c3ccccc3N[C@@H]2c2cc(Br)ccc2[O-])cc1 ZINC000002631588 568791017 /nfs/dbraw/zinc/79/10/17/568791017.db2.gz ZUMOWGJFWRANJE-NRFANRHFSA-N -1 3 423.310 5.230 50 10 HKCAHM Cc1ccc(CN2C(=O)c3ccccc3N[C@H]2c2cc(Br)ccc2[O-])cc1 ZINC000002631589 568790987 /nfs/dbraw/zinc/79/09/87/568790987.db2.gz ZUMOWGJFWRANJE-OAQYLSRUSA-N -1 3 423.310 5.230 50 10 HKCAHM Cc1oc2c(ccc([O-])c2CN2CCC[C@@H](C)C2)c(=O)c1-c1nc2ccccc2s1 ZINC000002667140 569060562 /nfs/dbraw/zinc/06/05/62/569060562.db2.gz CXOCDNMWNQVADN-CQSZACIVSA-N -1 3 420.534 5.316 50 10 biogenic HKCAHM Cc1oc2c(ccc([O-])c2CN2CCC[C@H](C)C2)c(=O)c1-c1nc2ccccc2s1 ZINC000002667142 569060579 /nfs/dbraw/zinc/06/05/79/569060579.db2.gz CXOCDNMWNQVADN-AWEZNQCLSA-N -1 3 420.534 5.316 50 10 biogenic HKCAHM Cc1oc2c(ccc([O-])c2CN2CCC(C)CC2)c(=O)c1-c1nc2ccccc2s1 ZINC000002667144 568800302 /nfs/dbraw/zinc/80/03/02/568800302.db2.gz FUTJYHVXSCCQDJ-UHFFFAOYSA-N -1 3 420.534 5.316 50 10 biogenic HKCAHM Cc1oc2c(ccc([O-])c2CN2CCCCCC2)c(=O)c1-c1nc2ccccc2s1 ZINC000002667145 568800233 /nfs/dbraw/zinc/80/02/33/568800233.db2.gz DPTXOIFVCFTEAY-UHFFFAOYSA-N -1 3 420.534 5.460 50 10 HKCAHM [O-]c1c([C@H](Nc2ccccn2)c2cc(O)ccc2Br)ccc2cccnc12 ZINC000002745460 557376662 /nfs/dbraw/zinc/37/66/62/557376662.db2.gz RBAFPHOWXLPNFT-FQEVSTJZSA-N -1 3 422.282 5.005 50 10 HKCAHM [O-]c1c([C@@H](Nc2ccccn2)c2cc(O)ccc2Br)ccc2cccnc12 ZINC000002745461 557376603 /nfs/dbraw/zinc/37/66/03/557376603.db2.gz RBAFPHOWXLPNFT-HXUWFJFHSA-N -1 3 422.282 5.005 50 10 HKCAHM CCOc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2c([O-])ccc3ccccc32)c1 ZINC000002745715 132257552 /nfs/dbraw/zinc/25/75/52/132257552.db2.gz VZTVQKKFPYZENW-VWLOTQADSA-N -1 3 410.473 5.715 50 10 HKCAHM CCOc1cccc(N2C(=O)c3ccccc3N[C@H]2c2c([O-])ccc3ccccc32)c1 ZINC000002745716 132257570 /nfs/dbraw/zinc/25/75/70/132257570.db2.gz VZTVQKKFPYZENW-RUZDIDTESA-N -1 3 410.473 5.715 50 10 HKCAHM O=C(CCc1ccccc1)N[C@@H](c1ccc(Cl)cc1)c1c([O-])ccc2ccccc21 ZINC000002813227 557394393 /nfs/dbraw/zinc/39/43/93/557394393.db2.gz SZUBNWWCPNQEFW-SANMLTNESA-N -1 3 415.920 6.037 50 10 HKCAHM O=C(CCc1ccccc1)N[C@H](c1ccc(Cl)cc1)c1c([O-])ccc2ccccc21 ZINC000002813228 557394708 /nfs/dbraw/zinc/39/47/08/557394708.db2.gz SZUBNWWCPNQEFW-AREMUKBSSA-N -1 3 415.920 6.037 50 10 HKCAHM CC(C)CC(=O)N[C@@H](c1ccc(Cl)cc1Cl)c1c([O-])ccc2ccccc21 ZINC000002814569 557394964 /nfs/dbraw/zinc/39/49/64/557394964.db2.gz VNRNBUTVWGGSNR-QFIPXVFZSA-N -1 3 402.321 6.104 50 10 HKCAHM CC(C)CC(=O)N[C@H](c1ccc(Cl)cc1Cl)c1c([O-])ccc2ccccc21 ZINC000002814570 557394915 /nfs/dbraw/zinc/39/49/15/557394915.db2.gz VNRNBUTVWGGSNR-JOCHJYFZSA-N -1 3 402.321 6.104 50 10 HKCAHM Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccc(Cl)c(Cl)c3)c([O-])c2n1 ZINC000002822268 557396349 /nfs/dbraw/zinc/39/63/49/557396349.db2.gz UKDGXYACBOKNRR-HXUWFJFHSA-N -1 3 410.304 6.152 50 10 HKCAHM Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccc(Cl)c(Cl)c3)c([O-])c2n1 ZINC000002822269 557396280 /nfs/dbraw/zinc/39/62/80/557396280.db2.gz UKDGXYACBOKNRR-FQEVSTJZSA-N -1 3 410.304 6.152 50 10 HKCAHM CCOc1ccc([C@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2[O-])cc1 ZINC000002863262 557411082 /nfs/dbraw/zinc/41/10/82/557411082.db2.gz HLIMAZXIHFPEFE-NRFANRHFSA-N -1 3 405.885 5.589 50 10 HKCAHM CCOc1ccc([C@@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2[O-])cc1 ZINC000002863263 557411121 /nfs/dbraw/zinc/41/11/21/557411121.db2.gz HLIMAZXIHFPEFE-OAQYLSRUSA-N -1 3 405.885 5.589 50 10 HKCAHM CSc1ccc([C@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2[O-])cc1 ZINC000002868400 557413510 /nfs/dbraw/zinc/41/35/10/557413510.db2.gz UTBZNEGNWZYYGP-FQEVSTJZSA-N -1 3 407.926 5.912 50 10 HKCAHM CSc1ccc([C@@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2[O-])cc1 ZINC000002868401 557413497 /nfs/dbraw/zinc/41/34/97/557413497.db2.gz UTBZNEGNWZYYGP-HXUWFJFHSA-N -1 3 407.926 5.912 50 10 HKCAHM [O-]c1c([C@@H](Nc2ccccn2)c2cccc(OC3CCCC3)c2)ccc2cccnc21 ZINC000002868403 557413549 /nfs/dbraw/zinc/41/35/49/557413549.db2.gz GLUBUPGDNWUQTD-DEOSSOPVSA-N -1 3 411.505 5.858 50 10 HKCAHM [O-]c1c([C@H](Nc2ccccn2)c2cccc(OC3CCCC3)c2)ccc2cccnc21 ZINC000002868404 557413523 /nfs/dbraw/zinc/41/35/23/557413523.db2.gz GLUBUPGDNWUQTD-XMMPIXPASA-N -1 3 411.505 5.858 50 10 HKCAHM O=C(Cc1ccccc1)N[C@@H](c1ccccc1Cl)c1c([O-])ccc2ccccc21 ZINC000002870313 557414676 /nfs/dbraw/zinc/41/46/76/557414676.db2.gz CIFHGWKIDSYWIS-VWLOTQADSA-N -1 3 401.893 5.647 50 10 HKCAHM O=C(Cc1ccccc1)N[C@H](c1ccccc1Cl)c1c([O-])ccc2ccccc21 ZINC000002870314 557414671 /nfs/dbraw/zinc/41/46/71/557414671.db2.gz CIFHGWKIDSYWIS-RUZDIDTESA-N -1 3 401.893 5.647 50 10 HKCAHM O=C(Cc1ccccc1)N[C@@H](c1ccc(Cl)cc1)c1c([O-])ccc2ccccc21 ZINC000002873318 557415746 /nfs/dbraw/zinc/41/57/46/557415746.db2.gz UANYQOUDIMIUKC-VWLOTQADSA-N -1 3 401.893 5.647 50 10 HKCAHM O=C(Cc1ccccc1)N[C@H](c1ccc(Cl)cc1)c1c([O-])ccc2ccccc21 ZINC000002873319 557415671 /nfs/dbraw/zinc/41/56/71/557415671.db2.gz UANYQOUDIMIUKC-RUZDIDTESA-N -1 3 401.893 5.647 50 10 HKCAHM Cc1ccnc(N[C@H](c2ccc3cccnc3c2[O-])c2cccc(Cl)c2Cl)c1 ZINC000002878481 557418304 /nfs/dbraw/zinc/41/83/04/557418304.db2.gz HQICAVDTVBACIN-NRFANRHFSA-N -1 3 410.304 6.152 50 10 HKCAHM Cc1ccnc(N[C@@H](c2ccc3cccnc3c2[O-])c2cccc(Cl)c2Cl)c1 ZINC000002878482 557418444 /nfs/dbraw/zinc/41/84/44/557418444.db2.gz HQICAVDTVBACIN-OAQYLSRUSA-N -1 3 410.304 6.152 50 10 HKCAHM O=C(COc1ccccc1)N[C@@H](/C=C/c1ccccc1)c1c([O-])ccc2ccccc21 ZINC000002921383 568816802 /nfs/dbraw/zinc/81/68/02/568816802.db2.gz DOZJYTVHXGJEEI-BRGVFWSASA-N -1 3 409.485 5.495 50 10 HKCAHM O=C(COc1ccccc1)N[C@H](/C=C/c1ccccc1)c1c([O-])ccc2ccccc21 ZINC000002921385 568817001 /nfs/dbraw/zinc/81/70/01/568817001.db2.gz DOZJYTVHXGJEEI-VUNQTZOZSA-N -1 3 409.485 5.495 50 10 HKCAHM COc1cccc(C(=O)N[C@@H](/C=C/c2ccccc2)c2c([O-])ccc3ccccc32)c1 ZINC000002921387 568817014 /nfs/dbraw/zinc/81/70/14/568817014.db2.gz DLQOOFHLGXPYRZ-PCQKWUTHSA-N -1 3 409.485 5.739 50 10 HKCAHM COc1cccc(C(=O)N[C@H](/C=C/c2ccccc2)c2c([O-])ccc3ccccc32)c1 ZINC000002921389 568817048 /nfs/dbraw/zinc/81/70/48/568817048.db2.gz DLQOOFHLGXPYRZ-FTXPHJNYSA-N -1 3 409.485 5.739 50 10 HKCAHM COc1cccc(C(=O)N[C@@H](c2ccccc2)c2cc(Cl)c3cccnc3c2[O-])c1 ZINC000002921404 558779819 /nfs/dbraw/zinc/77/98/19/558779819.db2.gz JDDZIBLXGVHHBX-NRFANRHFSA-N -1 3 418.880 5.122 50 10 biogenic HKCAHM COc1cccc(C(=O)N[C@H](c2ccccc2)c2cc(Cl)c3cccnc3c2[O-])c1 ZINC000002921405 558779737 /nfs/dbraw/zinc/77/97/37/558779737.db2.gz JDDZIBLXGVHHBX-OAQYLSRUSA-N -1 3 418.880 5.122 50 10 biogenic HKCAHM Cc1ccc(N(Cc2c([O-])ccc3ccccc32)C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000002939711 557428615 /nfs/dbraw/zinc/42/86/15/557428615.db2.gz RDJRPTITLFERQV-UHFFFAOYSA-N -1 3 412.445 5.609 50 10 HKCAHM Cc1ccnc(N[C@@H](c2ccc(Cl)cc2Cl)c2ccc3cccnc3c2[O-])c1 ZINC000002977097 557433531 /nfs/dbraw/zinc/43/35/31/557433531.db2.gz GWIRXRRJIZAMRH-NRFANRHFSA-N -1 3 410.304 6.152 50 10 HKCAHM Cc1ccnc(N[C@H](c2ccc(Cl)cc2Cl)c2ccc3cccnc3c2[O-])c1 ZINC000002977098 557433559 /nfs/dbraw/zinc/43/35/59/557433559.db2.gz GWIRXRRJIZAMRH-OAQYLSRUSA-N -1 3 410.304 6.152 50 10 HKCAHM Cc1ccnc(N[C@@H](c2ccc3cccnc3c2[O-])c2c(Cl)cccc2Cl)c1 ZINC000002977183 557433462 /nfs/dbraw/zinc/43/34/62/557433462.db2.gz LNQAUBSYKUMDRN-NRFANRHFSA-N -1 3 410.304 6.152 50 10 HKCAHM Cc1ccnc(N[C@H](c2ccc3cccnc3c2[O-])c2c(Cl)cccc2Cl)c1 ZINC000002977184 557433575 /nfs/dbraw/zinc/43/35/75/557433575.db2.gz LNQAUBSYKUMDRN-OAQYLSRUSA-N -1 3 410.304 6.152 50 10 HKCAHM CCN(CC)c1ccc([C@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2[O-])cc1 ZINC000002977224 557433540 /nfs/dbraw/zinc/43/35/40/557433540.db2.gz IUSFCIPCWLGARI-DEOSSOPVSA-N -1 3 412.537 5.692 50 10 HKCAHM CCN(CC)c1ccc([C@@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2[O-])cc1 ZINC000002977225 557433483 /nfs/dbraw/zinc/43/34/83/557433483.db2.gz IUSFCIPCWLGARI-XMMPIXPASA-N -1 3 412.537 5.692 50 10 HKCAHM Cc1cccc(N[C@@H](c2ccc3ccc(C)nc3c2[O-])c2c(F)cccc2Cl)n1 ZINC000002978022 557433754 /nfs/dbraw/zinc/43/37/54/557433754.db2.gz MDOMBJYHRLLVTB-QFIPXVFZSA-N -1 3 407.876 5.946 50 10 HKCAHM Cc1cccc(N[C@H](c2ccc3ccc(C)nc3c2[O-])c2c(F)cccc2Cl)n1 ZINC000002978023 557433803 /nfs/dbraw/zinc/43/38/03/557433803.db2.gz MDOMBJYHRLLVTB-JOCHJYFZSA-N -1 3 407.876 5.946 50 10 HKCAHM COc1ccc(C(=O)N[C@@H](c2ccccc2OC)c2c([O-])ccc3ccccc32)cc1 ZINC000002978433 557434286 /nfs/dbraw/zinc/43/42/86/557434286.db2.gz PQZYFIHOABIQOJ-VWLOTQADSA-N -1 3 413.473 5.082 50 10 HKCAHM COc1ccc(C(=O)N[C@H](c2ccccc2OC)c2c([O-])ccc3ccccc32)cc1 ZINC000002978434 557434254 /nfs/dbraw/zinc/43/42/54/557434254.db2.gz PQZYFIHOABIQOJ-RUZDIDTESA-N -1 3 413.473 5.082 50 10 HKCAHM COc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2c([O-])ccc3ccccc32)cc1 ZINC000002978591 557434227 /nfs/dbraw/zinc/43/42/27/557434227.db2.gz RWIZVIYUODONSA-DEOSSOPVSA-N -1 3 417.892 5.727 50 10 HKCAHM COc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)c2c([O-])ccc3ccccc32)cc1 ZINC000002978592 557434211 /nfs/dbraw/zinc/43/42/11/557434211.db2.gz RWIZVIYUODONSA-XMMPIXPASA-N -1 3 417.892 5.727 50 10 HKCAHM COc1ccc(C(=O)N[C@@H](c2ccccc2Cl)c2c([O-])ccc3ccccc32)cc1 ZINC000002979519 569364403 /nfs/dbraw/zinc/36/44/03/569364403.db2.gz MUPJWZFTJXBWCG-DEOSSOPVSA-N -1 3 417.892 5.727 50 10 HKCAHM COc1ccc(C(=O)N[C@H](c2ccccc2Cl)c2c([O-])ccc3ccccc32)cc1 ZINC000002979520 558780189 /nfs/dbraw/zinc/78/01/89/558780189.db2.gz MUPJWZFTJXBWCG-XMMPIXPASA-N -1 3 417.892 5.727 50 10 HKCAHM O=C(COc1ccccc1)N[C@@H](c1ccccc1Cl)c1c([O-])ccc2ccccc21 ZINC000002981923 557435568 /nfs/dbraw/zinc/43/55/68/557435568.db2.gz MLHDWKXNYCVVIU-VWLOTQADSA-N -1 3 417.892 5.483 50 10 HKCAHM O=C(COc1ccccc1)N[C@H](c1ccccc1Cl)c1c([O-])ccc2ccccc21 ZINC000002981924 557435588 /nfs/dbraw/zinc/43/55/88/557435588.db2.gz MLHDWKXNYCVVIU-RUZDIDTESA-N -1 3 417.892 5.483 50 10 HKCAHM COc1cccc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2c([O-])ccc3ccccc32)c1 ZINC000002982975 557435852 /nfs/dbraw/zinc/43/58/52/557435852.db2.gz GRUHIGAIZNFZPS-DEOSSOPVSA-N -1 3 417.892 5.727 50 10 HKCAHM COc1cccc(C(=O)N[C@H](c2ccc(Cl)cc2)c2c([O-])ccc3ccccc32)c1 ZINC000002982976 557435857 /nfs/dbraw/zinc/43/58/57/557435857.db2.gz GRUHIGAIZNFZPS-XMMPIXPASA-N -1 3 417.892 5.727 50 10 HKCAHM CC(C)c1ccc([C@H](NC(=O)C2CCCCC2)c2ccc3cccnc3c2[O-])cc1 ZINC000002996892 557438907 /nfs/dbraw/zinc/43/89/07/557438907.db2.gz SJOPIOKNSQOWOH-QHCPKHFHSA-N -1 3 402.538 5.850 50 10 HKCAHM CC(C)c1ccc([C@@H](NC(=O)C2CCCCC2)c2ccc3cccnc3c2[O-])cc1 ZINC000002996893 557438910 /nfs/dbraw/zinc/43/89/10/557438910.db2.gz SJOPIOKNSQOWOH-HSZRJFAPSA-N -1 3 402.538 5.850 50 10 HKCAHM CCCCC(=O)N[C@@H](c1ccc(N(CC)CC)cc1)c1ccc2cccnc2c1[O-] ZINC000002998195 558780153 /nfs/dbraw/zinc/78/01/53/558780153.db2.gz WTVLPUWOVVAQKG-QHCPKHFHSA-N -1 3 405.542 5.182 50 10 HKCAHM CCCCC(=O)N[C@H](c1ccc(N(CC)CC)cc1)c1ccc2cccnc2c1[O-] ZINC000002998196 558780192 /nfs/dbraw/zinc/78/01/92/558780192.db2.gz WTVLPUWOVVAQKG-HSZRJFAPSA-N -1 3 405.542 5.182 50 10 HKCAHM [O-]c1c([C@@H](Nc2ccccn2)c2cccc(Oc3ccccc3)c2)ccc2cccnc21 ZINC000003003529 557440265 /nfs/dbraw/zinc/44/02/65/557440265.db2.gz WJNJQDQWGRQWCD-VWLOTQADSA-N -1 3 419.484 6.329 50 10 HKCAHM [O-]c1c([C@H](Nc2ccccn2)c2cccc(Oc3ccccc3)c2)ccc2cccnc21 ZINC000003003530 557440244 /nfs/dbraw/zinc/44/02/44/557440244.db2.gz WJNJQDQWGRQWCD-RUZDIDTESA-N -1 3 419.484 6.329 50 10 HKCAHM Cc1ccc2ccc([C@H](Nc3ccccn3)c3cccc(Cl)c3Cl)c([O-])c2n1 ZINC000003634558 557495434 /nfs/dbraw/zinc/49/54/34/557495434.db2.gz XFEWMVHDNGEETH-OAQYLSRUSA-N -1 3 410.304 6.152 50 10 HKCAHM Cc1ccc2ccc([C@@H](Nc3ccccn3)c3cccc(Cl)c3Cl)c([O-])c2n1 ZINC000003634563 557495367 /nfs/dbraw/zinc/49/53/67/557495367.db2.gz XFEWMVHDNGEETH-NRFANRHFSA-N -1 3 410.304 6.152 50 10 HKCAHM CCOc1cc([C@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2[O-])ccc1OC ZINC000003640831 557496005 /nfs/dbraw/zinc/49/60/05/557496005.db2.gz HZFXBOSCUCIPSU-QHCPKHFHSA-N -1 3 415.493 5.253 50 10 HKCAHM CCOc1cc([C@@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2[O-])ccc1OC ZINC000003640837 557496045 /nfs/dbraw/zinc/49/60/45/557496045.db2.gz HZFXBOSCUCIPSU-HSZRJFAPSA-N -1 3 415.493 5.253 50 10 HKCAHM [O-]c1ccc(Cl)cc1C1=NN(c2ccccc2)[C@H](c2ccc3c(c2)OCCO3)C1 ZINC000004158412 568947186 /nfs/dbraw/zinc/94/71/86/568947186.db2.gz LTDXWBNPUOKHCT-FQEVSTJZSA-N -1 3 406.869 5.173 50 10 HKCAHM [O-]c1ccc(Cl)cc1C1=NN(c2ccccc2)[C@@H](c2ccc3c(c2)OCCO3)C1 ZINC000004158413 568947341 /nfs/dbraw/zinc/94/73/41/568947341.db2.gz LTDXWBNPUOKHCT-HXUWFJFHSA-N -1 3 406.869 5.173 50 10 HKCAHM Cc1cccc(N[C@@H](c2ccc([N+](=O)[O-])cc2)c2ccc3ccc(C)nc3c2[O-])n1 ZINC000004164708 557522933 /nfs/dbraw/zinc/52/29/33/557522933.db2.gz VKIROHYSILFCHR-NRFANRHFSA-N -1 3 400.438 5.062 50 10 HKCAHM Cc1cccc(N[C@H](c2ccc([N+](=O)[O-])cc2)c2ccc3ccc(C)nc3c2[O-])n1 ZINC000004164709 557522894 /nfs/dbraw/zinc/52/28/94/557522894.db2.gz VKIROHYSILFCHR-OAQYLSRUSA-N -1 3 400.438 5.062 50 10 HKCAHM Cc1cccc(N[C@@H](c2ccc(Br)cc2)c2ccc3cccnc3c2[O-])n1 ZINC000004164770 557522875 /nfs/dbraw/zinc/52/28/75/557522875.db2.gz ZEGBYJZQTIPKGK-FQEVSTJZSA-N -1 3 420.310 5.608 50 10 HKCAHM Cc1cccc(N[C@H](c2ccc(Br)cc2)c2ccc3cccnc3c2[O-])n1 ZINC000004164771 557522866 /nfs/dbraw/zinc/52/28/66/557522866.db2.gz ZEGBYJZQTIPKGK-HXUWFJFHSA-N -1 3 420.310 5.608 50 10 HKCAHM CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(CN2CCCCC2)c1[O-] ZINC000004247241 560197862 /nfs/dbraw/zinc/19/78/62/560197862.db2.gz JKIXLEKBXHMXTN-UHFFFAOYSA-N -1 3 420.534 5.324 50 10 in-vitro HKCAHM Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000004289720 557536355 /nfs/dbraw/zinc/53/63/55/557536355.db2.gz BFPNPUOQODBWAM-SGIRGMQISA-N -1 3 416.546 5.622 50 10 HKCAHM COc1cc(Cl)cc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1[O-] ZINC000004361235 557546541 /nfs/dbraw/zinc/54/65/41/557546541.db2.gz CTMMFJRACJWHSJ-HRAATJIYSA-N -1 3 412.898 5.358 50 10 HKCAHM COc1cc(Cl)cc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1[O-] ZINC000004361238 557546483 /nfs/dbraw/zinc/54/64/83/557546483.db2.gz CTMMFJRACJWHSJ-KKSFZXQISA-N -1 3 412.898 5.358 50 10 HKCAHM CC[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)ccc2[O-])N3)C1 ZINC000004545438 558664736 /nfs/dbraw/zinc/66/47/36/558664736.db2.gz GHNLJVKVRLUJGS-ABKXIKBNSA-N -1 3 407.333 5.160 50 10 HKCAHM CC[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)ccc2[O-])N3)C1 ZINC000004545439 558664721 /nfs/dbraw/zinc/66/47/21/558664721.db2.gz GHNLJVKVRLUJGS-FVMDXXJSSA-N -1 3 407.333 5.160 50 10 HKCAHM CC[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)ccc2[O-])N3)C1 ZINC000004545440 558664725 /nfs/dbraw/zinc/66/47/25/558664725.db2.gz GHNLJVKVRLUJGS-JDNHERCYSA-N -1 3 407.333 5.160 50 10 HKCAHM CC[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)ccc2[O-])N3)C1 ZINC000004545441 558664755 /nfs/dbraw/zinc/66/47/55/558664755.db2.gz GHNLJVKVRLUJGS-XXFAHNHDSA-N -1 3 407.333 5.160 50 10 HKCAHM [O-]c1ccc2ccccc2c1CNc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000004546906 558672242 /nfs/dbraw/zinc/67/22/42/558672242.db2.gz GTLDQYZLIMWSDB-UHFFFAOYSA-N -1 3 408.526 6.948 50 10 HKCAHM Cc1cc(Br)cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)c1[O-] ZINC000004571303 558743919 /nfs/dbraw/zinc/74/39/19/558743919.db2.gz NVGVUQORWSKBCQ-BCTVWOGZSA-N -1 3 407.333 5.078 50 10 HKCAHM Cc1cc(Br)cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)c1[O-] ZINC000004571307 558743935 /nfs/dbraw/zinc/74/39/35/558743935.db2.gz NVGVUQORWSKBCQ-VPTHRUTESA-N -1 3 407.333 5.078 50 10 HKCAHM Cc1cc(Br)cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C)C4)c1[O-] ZINC000004571311 558743932 /nfs/dbraw/zinc/74/39/32/558743932.db2.gz NVGVUQORWSKBCQ-PWJLMRLQSA-N -1 3 407.333 5.078 50 10 HKCAHM Cc1cc(Br)cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C)C4)c1[O-] ZINC000004571314 558743971 /nfs/dbraw/zinc/74/39/71/558743971.db2.gz NVGVUQORWSKBCQ-ZKANADHPSA-N -1 3 407.333 5.078 50 10 HKCAHM O=C1N[C@H](c2cc(Br)ccc2[O-])Nc2scc(-c3ccccc3)c21 ZINC000004571777 558746404 /nfs/dbraw/zinc/74/64/04/558746404.db2.gz YOMALIALVUXGNV-INIZCTEOSA-N -1 3 401.285 5.312 50 10 HKCAHM O=C1N[C@@H](c2cc(Br)ccc2[O-])Nc2scc(-c3ccccc3)c21 ZINC000004571779 558746323 /nfs/dbraw/zinc/74/63/23/558746323.db2.gz YOMALIALVUXGNV-MRXNPFEDSA-N -1 3 401.285 5.312 50 10 HKCAHM COc1ccc(-c2nc(NCc3cc(Br)ccc3[O-])sc2C)cc1 ZINC000004616966 558863384 /nfs/dbraw/zinc/86/33/84/558863384.db2.gz JZFRQIWTOMAUMO-UHFFFAOYSA-N -1 3 405.317 5.207 50 10 HKCAHM CCSc1nnc2c(n1)O[C@@H](c1c([O-])ccc3ccccc31)Nc1ccccc1-2 ZINC000004619063 557573356 /nfs/dbraw/zinc/57/33/56/557573356.db2.gz UYMPJJAHTXDARR-FQEVSTJZSA-N -1 3 402.479 5.013 50 10 HKCAHM CCSc1nnc2c(n1)O[C@H](c1c([O-])ccc3ccccc31)Nc1ccccc1-2 ZINC000004619064 557573328 /nfs/dbraw/zinc/57/33/28/557573328.db2.gz UYMPJJAHTXDARR-HXUWFJFHSA-N -1 3 402.479 5.013 50 10 HKCAHM Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1ccc(C)c(Cl)c1 ZINC000004627773 558927757 /nfs/dbraw/zinc/92/77/57/558927757.db2.gz BNSQTLABNUXPBW-MHWRWJLKSA-N -1 3 404.695 5.129 50 10 HKCAHM Cc1cccc(N[C@@H](c2ccc3ccc(C)nc3c2[O-])c2ccccc2[N+](=O)[O-])n1 ZINC000004631164 557574448 /nfs/dbraw/zinc/57/44/48/557574448.db2.gz HCXGCAWPVBLUSN-JOCHJYFZSA-N -1 3 400.438 5.062 50 10 HKCAHM Cc1cccc(N[C@@H](c2cccc([N+](=O)[O-])c2)c2ccc3ccc(C)nc3c2[O-])n1 ZINC000004631202 557574435 /nfs/dbraw/zinc/57/44/35/557574435.db2.gz NEXQMABZRZRZOX-NRFANRHFSA-N -1 3 400.438 5.062 50 10 HKCAHM Cc1cccc(N[C@H](c2cccc([N+](=O)[O-])c2)c2ccc3ccc(C)nc3c2[O-])n1 ZINC000004631203 557574418 /nfs/dbraw/zinc/57/44/18/557574418.db2.gz NEXQMABZRZRZOX-OAQYLSRUSA-N -1 3 400.438 5.062 50 10 HKCAHM CCOc1ccc(-c2cnc(NCc3cc(Cl)ccc3[O-])n2C[C@H](C)CC)cc1 ZINC000004679299 558890266 /nfs/dbraw/zinc/89/02/66/558890266.db2.gz QZJHZTVTTONZFV-MRXNPFEDSA-N -1 3 413.949 5.966 50 10 HKCAHM CCOc1ccc(-c2cnc(NCc3cc(Cl)ccc3[O-])n2C[C@@H](C)CC)cc1 ZINC000004679300 568934988 /nfs/dbraw/zinc/93/49/88/568934988.db2.gz QZJHZTVTTONZFV-INIZCTEOSA-N -1 3 413.949 5.966 50 10 HKCAHM CCCCN(Cc1ccccc1)C(=O)C1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000004700429 558908061 /nfs/dbraw/zinc/90/80/61/558908061.db2.gz RXKNAWBRWBIOOY-UHFFFAOYSA-N -1 3 414.977 5.087 50 10 HKCAHM CCOc1ccc(C2=N[C@H](C(C)C)N[C@H](c3cc(Br)ccc3[O-])C2)cc1 ZINC000004729445 558985890 /nfs/dbraw/zinc/98/58/90/558985890.db2.gz DLTVNGKCSIWRRJ-FPOVZHCZSA-N -1 3 417.347 5.059 50 10 HKCAHM CCOc1ccc(C2=N[C@@H](C(C)C)N[C@H](c3cc(Br)ccc3[O-])C2)cc1 ZINC000004729447 558985863 /nfs/dbraw/zinc/98/58/63/558985863.db2.gz DLTVNGKCSIWRRJ-PZJWPPBQSA-N -1 3 417.347 5.059 50 10 HKCAHM CCOc1ccc(C2=N[C@H](C(C)C)N[C@@H](c3cc(Br)ccc3[O-])C2)cc1 ZINC000004729448 558985933 /nfs/dbraw/zinc/98/59/33/558985933.db2.gz DLTVNGKCSIWRRJ-CTNGQTDRSA-N -1 3 417.347 5.059 50 10 HKCAHM CCOc1ccc(C2=N[C@@H](C(C)C)N[C@@H](c3cc(Br)ccc3[O-])C2)cc1 ZINC000004729449 558985937 /nfs/dbraw/zinc/98/59/37/558985937.db2.gz DLTVNGKCSIWRRJ-TZIWHRDSSA-N -1 3 417.347 5.059 50 10 HKCAHM CCc1ccc(C2=N[C@H](c3ccc(OC)c(OC)c3)N[C@H](c3ccccc3[O-])C2)cc1 ZINC000004729456 558986145 /nfs/dbraw/zinc/98/61/45/558986145.db2.gz NAFXRZWOCSMECU-NVQXNPDNSA-N -1 3 416.521 5.194 50 10 HKCAHM CCc1ccc(C2=N[C@@H](c3ccc(OC)c(OC)c3)N[C@H](c3ccccc3[O-])C2)cc1 ZINC000004729457 558986008 /nfs/dbraw/zinc/98/60/08/558986008.db2.gz NAFXRZWOCSMECU-BKMJKUGQSA-N -1 3 416.521 5.194 50 10 HKCAHM CCc1ccc(C2=N[C@H](c3ccc(OC)c(OC)c3)N[C@@H](c3ccccc3[O-])C2)cc1 ZINC000004729459 558986111 /nfs/dbraw/zinc/98/61/11/558986111.db2.gz NAFXRZWOCSMECU-GJZUVCINSA-N -1 3 416.521 5.194 50 10 HKCAHM CCc1ccc(C2=N[C@@H](c3ccc(OC)c(OC)c3)N[C@@H](c3ccccc3[O-])C2)cc1 ZINC000004729460 558986029 /nfs/dbraw/zinc/98/60/29/558986029.db2.gz NAFXRZWOCSMECU-ATIYNZHBSA-N -1 3 416.521 5.194 50 10 HKCAHM CCC[C@H]1N=C(c2ccc(CC)cc2)C[C@@H](c2cc(Br)ccc2[O-])N1 ZINC000004729501 558986023 /nfs/dbraw/zinc/98/60/23/558986023.db2.gz QYDVTZOFYGNQOR-FPOVZHCZSA-N -1 3 401.348 5.367 50 10 HKCAHM CCC[C@@H]1N=C(c2ccc(CC)cc2)C[C@@H](c2cc(Br)ccc2[O-])N1 ZINC000004729503 558986105 /nfs/dbraw/zinc/98/61/05/558986105.db2.gz QYDVTZOFYGNQOR-PZJWPPBQSA-N -1 3 401.348 5.367 50 10 HKCAHM CCC[C@H]1N=C(c2ccc(CC)cc2)C[C@H](c2cc(Br)ccc2[O-])N1 ZINC000004729504 558986063 /nfs/dbraw/zinc/98/60/63/558986063.db2.gz QYDVTZOFYGNQOR-CTNGQTDRSA-N -1 3 401.348 5.367 50 10 HKCAHM CCC[C@@H]1N=C(c2ccc(CC)cc2)C[C@H](c2cc(Br)ccc2[O-])N1 ZINC000004729506 558986131 /nfs/dbraw/zinc/98/61/31/558986131.db2.gz QYDVTZOFYGNQOR-TZIWHRDSSA-N -1 3 401.348 5.367 50 10 HKCAHM CCc1ccc(C2=N[C@H](C(C)C)N[C@H](c3cc(Br)ccc3[O-])C2)cc1 ZINC000004729529 558986126 /nfs/dbraw/zinc/98/61/26/558986126.db2.gz SGSSSPWKJGSXRN-FPOVZHCZSA-N -1 3 401.348 5.223 50 10 HKCAHM CCc1ccc(C2=N[C@@H](C(C)C)N[C@H](c3cc(Br)ccc3[O-])C2)cc1 ZINC000004729530 558986034 /nfs/dbraw/zinc/98/60/34/558986034.db2.gz SGSSSPWKJGSXRN-PZJWPPBQSA-N -1 3 401.348 5.223 50 10 HKCAHM CCc1ccc(C2=N[C@H](C(C)C)N[C@@H](c3cc(Br)ccc3[O-])C2)cc1 ZINC000004729533 558985991 /nfs/dbraw/zinc/98/59/91/558985991.db2.gz SGSSSPWKJGSXRN-CTNGQTDRSA-N -1 3 401.348 5.223 50 10 HKCAHM CCc1ccc(C2=N[C@@H](C(C)C)N[C@@H](c3cc(Br)ccc3[O-])C2)cc1 ZINC000004729535 558985999 /nfs/dbraw/zinc/98/59/99/558985999.db2.gz SGSSSPWKJGSXRN-TZIWHRDSSA-N -1 3 401.348 5.223 50 10 HKCAHM CCc1ccc(C2=N[C@H](c3ccc(SC)cc3)N[C@H](c3ccccc3[O-])C2)cc1 ZINC000004729813 558986468 /nfs/dbraw/zinc/98/64/68/558986468.db2.gz NCFGVIIDIIBRAH-ZCYQVOJMSA-N -1 3 402.563 5.899 50 10 HKCAHM CCc1ccc(C2=N[C@@H](c3ccc(SC)cc3)N[C@H](c3ccccc3[O-])C2)cc1 ZINC000004729814 558986490 /nfs/dbraw/zinc/98/64/90/558986490.db2.gz NCFGVIIDIIBRAH-UKILVPOCSA-N -1 3 402.563 5.899 50 10 HKCAHM CCc1ccc(C2=N[C@H](c3ccc(SC)cc3)N[C@@H](c3ccccc3[O-])C2)cc1 ZINC000004729815 558986512 /nfs/dbraw/zinc/98/65/12/558986512.db2.gz NCFGVIIDIIBRAH-NOZRDPDXSA-N -1 3 402.563 5.899 50 10 HKCAHM CCc1ccc(C2=N[C@@H](c3ccc(SC)cc3)N[C@@H](c3ccccc3[O-])C2)cc1 ZINC000004729816 558986299 /nfs/dbraw/zinc/98/62/99/558986299.db2.gz NCFGVIIDIIBRAH-ILBGXUMGSA-N -1 3 402.563 5.899 50 10 HKCAHM CCC[C@@]1(C)N=C(c2ccc(CC)cc2)C[C@@H](c2cc(Br)ccc2[O-])N1 ZINC000004729877 558986474 /nfs/dbraw/zinc/98/64/74/558986474.db2.gz DKEGDMRGWFGUIS-UNMCSNQZSA-N -1 3 415.375 5.757 50 10 HKCAHM CCC[C@]1(C)N=C(c2ccc(CC)cc2)C[C@@H](c2cc(Br)ccc2[O-])N1 ZINC000004729878 558986430 /nfs/dbraw/zinc/98/64/30/558986430.db2.gz DKEGDMRGWFGUIS-RBBKRZOGSA-N -1 3 415.375 5.757 50 10 HKCAHM CCC[C@@]1(C)N=C(c2ccc(CC)cc2)C[C@H](c2cc(Br)ccc2[O-])N1 ZINC000004729879 558986498 /nfs/dbraw/zinc/98/64/98/558986498.db2.gz DKEGDMRGWFGUIS-IRLDBZIGSA-N -1 3 415.375 5.757 50 10 HKCAHM CCC[C@]1(C)N=C(c2ccc(CC)cc2)C[C@H](c2cc(Br)ccc2[O-])N1 ZINC000004729880 558986452 /nfs/dbraw/zinc/98/64/52/558986452.db2.gz DKEGDMRGWFGUIS-IFMALSPDSA-N -1 3 415.375 5.757 50 10 HKCAHM Cc1ccc(C2=N[C@H](c3ccc(Cl)cc3Cl)N[C@H](c3ccccc3[O-])C2)cc1 ZINC000004730037 568937469 /nfs/dbraw/zinc/93/74/69/568937469.db2.gz FIKBKRWWPDWUPY-GMAHTHKFSA-N -1 3 411.332 6.230 50 10 HKCAHM Cc1ccc(C2=N[C@@H](c3ccc(Cl)cc3Cl)N[C@H](c3ccccc3[O-])C2)cc1 ZINC000004730038 558986695 /nfs/dbraw/zinc/98/66/95/558986695.db2.gz FIKBKRWWPDWUPY-JTHBVZDNSA-N -1 3 411.332 6.230 50 10 HKCAHM Cc1ccc(C2=N[C@H](c3ccc(Cl)cc3Cl)N[C@@H](c3ccccc3[O-])C2)cc1 ZINC000004730039 558986688 /nfs/dbraw/zinc/98/66/88/558986688.db2.gz FIKBKRWWPDWUPY-GGAORHGYSA-N -1 3 411.332 6.230 50 10 HKCAHM Cc1ccc(C2=N[C@@H](c3ccc(Cl)cc3Cl)N[C@@H](c3ccccc3[O-])C2)cc1 ZINC000004730040 568937520 /nfs/dbraw/zinc/93/75/20/568937520.db2.gz FIKBKRWWPDWUPY-FYYLOGMGSA-N -1 3 411.332 6.230 50 10 HKCAHM CC(C)C[C@H]1N=C(c2ccc(Cl)cc2)C[C@@H](c2cc(Br)ccc2[O-])N1 ZINC000004730045 558986660 /nfs/dbraw/zinc/98/66/60/558986660.db2.gz BOCQBTDETHRKSO-ICSRJNTNSA-N -1 3 421.766 5.704 50 10 HKCAHM CC(C)C[C@@H]1N=C(c2ccc(Cl)cc2)C[C@@H](c2cc(Br)ccc2[O-])N1 ZINC000004730046 558986855 /nfs/dbraw/zinc/98/68/55/558986855.db2.gz BOCQBTDETHRKSO-AZUAARDMSA-N -1 3 421.766 5.704 50 10 HKCAHM CC(C)C[C@H]1N=C(c2ccc(Cl)cc2)C[C@H](c2cc(Br)ccc2[O-])N1 ZINC000004730047 558986828 /nfs/dbraw/zinc/98/68/28/558986828.db2.gz BOCQBTDETHRKSO-QUCCMNQESA-N -1 3 421.766 5.704 50 10 HKCAHM CC(C)C[C@@H]1N=C(c2ccc(Cl)cc2)C[C@H](c2cc(Br)ccc2[O-])N1 ZINC000004730048 558986801 /nfs/dbraw/zinc/98/68/01/558986801.db2.gz BOCQBTDETHRKSO-UYAOXDASSA-N -1 3 421.766 5.704 50 10 HKCAHM COc1cccc([C@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2[O-])c1OC ZINC000004755194 557593541 /nfs/dbraw/zinc/59/35/41/557593541.db2.gz UCMJCWYWSCWETO-HSZRJFAPSA-N -1 3 415.493 5.171 50 10 HKCAHM COc1cccc([C@@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2[O-])c1OC ZINC000004755195 557593555 /nfs/dbraw/zinc/59/35/55/557593555.db2.gz UCMJCWYWSCWETO-QHCPKHFHSA-N -1 3 415.493 5.171 50 10 HKCAHM CSc1ccc([C@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2[O-])cc1 ZINC000004755363 557593505 /nfs/dbraw/zinc/59/35/05/557593505.db2.gz ZNKLDPBOHOOXCP-QFIPXVFZSA-N -1 3 401.535 5.876 50 10 HKCAHM CSc1ccc([C@@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2[O-])cc1 ZINC000004755364 557593571 /nfs/dbraw/zinc/59/35/71/557593571.db2.gz ZNKLDPBOHOOXCP-JOCHJYFZSA-N -1 3 401.535 5.876 50 10 HKCAHM O=[N+]([O-])c1cccc([C@H](Nc2cccnc2)c2cc(Cl)c3cccnc3c2[O-])c1 ZINC000004759489 557595270 /nfs/dbraw/zinc/59/52/70/557595270.db2.gz KMQVCVLZHQSGLT-IBGZPJMESA-N -1 3 406.829 5.099 50 10 HKCAHM O=[N+]([O-])c1cccc([C@@H](Nc2cccnc2)c2cc(Cl)c3cccnc3c2[O-])c1 ZINC000004759491 557595194 /nfs/dbraw/zinc/59/51/94/557595194.db2.gz KMQVCVLZHQSGLT-LJQANCHMSA-N -1 3 406.829 5.099 50 10 HKCAHM COc1cc(Cl)cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C(C)(C)C)C4)c1[O-] ZINC000004785256 559063399 /nfs/dbraw/zinc/06/33/99/559063399.db2.gz WICNLJAPEFWECX-MGNBDDOMSA-N -1 3 420.962 5.696 50 10 HKCAHM COc1cc(Cl)cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C(C)(C)C)C4)c1[O-] ZINC000004785257 559063418 /nfs/dbraw/zinc/06/34/18/559063418.db2.gz WICNLJAPEFWECX-YPMLDQLKSA-N -1 3 420.962 5.696 50 10 HKCAHM COc1cc(Cl)cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C(C)(C)C)C4)c1[O-] ZINC000004785260 559063404 /nfs/dbraw/zinc/06/34/04/559063404.db2.gz WICNLJAPEFWECX-MLCYQJTMSA-N -1 3 420.962 5.696 50 10 HKCAHM COc1cc(Cl)cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C(C)(C)C)C4)c1[O-] ZINC000004785262 559063394 /nfs/dbraw/zinc/06/33/94/559063394.db2.gz WICNLJAPEFWECX-XTZNXHDOSA-N -1 3 420.962 5.696 50 10 HKCAHM [O-]c1ccc(Br)cc1C1=NN(c2ccccc2)[C@H](c2ccc(F)cc2)C1 ZINC000004808350 559068581 /nfs/dbraw/zinc/06/85/81/559068581.db2.gz QWEMEWQJEZJVOO-FQEVSTJZSA-N -1 3 411.274 5.650 50 10 HKCAHM [O-]c1ccc(Br)cc1C1=NN(c2ccccc2)[C@@H](c2ccc(F)cc2)C1 ZINC000004808351 559068545 /nfs/dbraw/zinc/06/85/45/559068545.db2.gz QWEMEWQJEZJVOO-HXUWFJFHSA-N -1 3 411.274 5.650 50 10 HKCAHM O=C(CCc1ccccc1)N[C@@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1[O-] ZINC000004873197 557608827 /nfs/dbraw/zinc/60/88/27/557608827.db2.gz YBGYATYBQKVXTK-QHCPKHFHSA-N -1 3 416.908 5.432 50 10 HKCAHM CCCCC(=O)N[C@@H](c1ccc(Cl)cc1)c1cc(Cl)c2cccnc2c1[O-] ZINC000004959837 559216908 /nfs/dbraw/zinc/21/69/08/559216908.db2.gz KXGUMKSWYVWGFR-IBGZPJMESA-N -1 3 403.309 5.643 50 10 HKCAHM CCCCC(=O)N[C@H](c1ccc(Cl)cc1)c1cc(Cl)c2cccnc2c1[O-] ZINC000004959838 559216923 /nfs/dbraw/zinc/21/69/23/559216923.db2.gz KXGUMKSWYVWGFR-LJQANCHMSA-N -1 3 403.309 5.643 50 10 HKCAHM CCCCC(=O)N[C@@H](c1ccccc1Cl)c1cc(Cl)c2cccnc2c1[O-] ZINC000004959839 559216937 /nfs/dbraw/zinc/21/69/37/559216937.db2.gz VHEHQRCJBYQVCQ-IBGZPJMESA-N -1 3 403.309 5.643 50 10 HKCAHM CCCCC(=O)N[C@H](c1ccccc1Cl)c1cc(Cl)c2cccnc2c1[O-] ZINC000004959840 559216957 /nfs/dbraw/zinc/21/69/57/559216957.db2.gz VHEHQRCJBYQVCQ-LJQANCHMSA-N -1 3 403.309 5.643 50 10 HKCAHM Cc1ccnc(N[C@H](c2ccc3ccc(C)nc3c2[O-])c2ccccc2[N+](=O)[O-])c1 ZINC000004978749 569284503 /nfs/dbraw/zinc/28/45/03/569284503.db2.gz VXPGAZJVEWWXED-QFIPXVFZSA-N -1 3 400.438 5.062 50 10 HKCAHM Cc1ccnc(N[C@@H](c2ccc3ccc(C)nc3c2[O-])c2ccccc2[N+](=O)[O-])c1 ZINC000004978750 569284488 /nfs/dbraw/zinc/28/44/88/569284488.db2.gz VXPGAZJVEWWXED-JOCHJYFZSA-N -1 3 400.438 5.062 50 10 HKCAHM Cc1ccnc(N[C@@H](c2ccc([N+](=O)[O-])cc2)c2ccc3ccc(C)nc3c2[O-])c1 ZINC000004978759 557619875 /nfs/dbraw/zinc/61/98/75/557619875.db2.gz QOROSSPFXOLAQI-NRFANRHFSA-N -1 3 400.438 5.062 50 10 HKCAHM Cc1ccnc(N[C@H](c2ccc([N+](=O)[O-])cc2)c2ccc3ccc(C)nc3c2[O-])c1 ZINC000004978760 557619844 /nfs/dbraw/zinc/61/98/44/557619844.db2.gz QOROSSPFXOLAQI-OAQYLSRUSA-N -1 3 400.438 5.062 50 10 HKCAHM Cc1ccnc(N[C@@H](c2cccc([N+](=O)[O-])c2)c2ccc3ccc(C)nc3c2[O-])c1 ZINC000004983054 557620585 /nfs/dbraw/zinc/62/05/85/557620585.db2.gz TVXGPVQFFRJBBV-NRFANRHFSA-N -1 3 400.438 5.062 50 10 HKCAHM Cc1ccnc(N[C@H](c2cccc([N+](=O)[O-])c2)c2ccc3ccc(C)nc3c2[O-])c1 ZINC000004983055 557620553 /nfs/dbraw/zinc/62/05/53/557620553.db2.gz TVXGPVQFFRJBBV-OAQYLSRUSA-N -1 3 400.438 5.062 50 10 HKCAHM CCOC(=O)c1ccc(N[C@H](c2cccs2)c2ccc3cccnc3c2[O-])cc1 ZINC000005009299 559227770 /nfs/dbraw/zinc/22/77/70/559227770.db2.gz NYGYLOJPQOIXMZ-NRFANRHFSA-N -1 3 404.491 5.380 50 10 HKCAHM CCOC(=O)c1ccc(N[C@@H](c2cccs2)c2ccc3cccnc3c2[O-])cc1 ZINC000005009300 559227728 /nfs/dbraw/zinc/22/77/28/559227728.db2.gz NYGYLOJPQOIXMZ-OAQYLSRUSA-N -1 3 404.491 5.380 50 10 HKCAHM COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(Cc1ccccc1[O-])CC2 ZINC000005010344 569366466 /nfs/dbraw/zinc/36/64/66/569366466.db2.gz CMMRBJKEUPHUEY-DEOSSOPVSA-N -1 3 409.913 5.211 50 10 HKCAHM COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(Cc1ccccc1[O-])CC2 ZINC000005010345 558781214 /nfs/dbraw/zinc/78/12/14/558781214.db2.gz CMMRBJKEUPHUEY-XMMPIXPASA-N -1 3 409.913 5.211 50 10 HKCAHM O=[N+]([O-])c1ccccc1[C@H](Nc1ccccn1)c1cc(Cl)c2cccnc2c1[O-] ZINC000005049622 557630165 /nfs/dbraw/zinc/63/01/65/557630165.db2.gz OCYVWYYXKBHAPT-IBGZPJMESA-N -1 3 406.829 5.099 50 10 HKCAHM O=[N+]([O-])c1ccccc1[C@@H](Nc1ccccn1)c1cc(Cl)c2cccnc2c1[O-] ZINC000005049624 557630155 /nfs/dbraw/zinc/63/01/55/557630155.db2.gz OCYVWYYXKBHAPT-LJQANCHMSA-N -1 3 406.829 5.099 50 10 HKCAHM CN(C)c1ccc([C@H](NC(=O)Cc2ccccc2)c2c([O-])ccc3ccccc32)cc1 ZINC000005059869 557632372 /nfs/dbraw/zinc/63/23/72/557632372.db2.gz VAFNHEBJHXGMSW-MHZLTWQESA-N -1 3 410.517 5.060 50 10 HKCAHM CN(C)c1ccc([C@@H](NC(=O)Cc2ccccc2)c2c([O-])ccc3ccccc32)cc1 ZINC000005059871 557632297 /nfs/dbraw/zinc/63/22/97/557632297.db2.gz VAFNHEBJHXGMSW-HHHXNRCGSA-N -1 3 410.517 5.060 50 10 HKCAHM COc1ccc([C@H](NC(=O)c2ccccc2)c2c([O-])ccc3ccccc32)cc1OC ZINC000005060343 558781461 /nfs/dbraw/zinc/78/14/61/558781461.db2.gz HWBWCPLTILZUBR-VWLOTQADSA-N -1 3 413.473 5.082 50 10 HKCAHM COc1ccc([C@@H](NC(=O)c2ccccc2)c2c([O-])ccc3ccccc32)cc1OC ZINC000005060346 558781596 /nfs/dbraw/zinc/78/15/96/558781596.db2.gz HWBWCPLTILZUBR-RUZDIDTESA-N -1 3 413.473 5.082 50 10 HKCAHM O=[N+]([O-])c1cccc([C@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2[O-])c1 ZINC000005065737 557633647 /nfs/dbraw/zinc/63/36/47/557633647.db2.gz UHSSEKBLOXZQBL-IBGZPJMESA-N -1 3 406.829 5.099 50 10 HKCAHM O=[N+]([O-])c1cccc([C@@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2[O-])c1 ZINC000005065738 557633878 /nfs/dbraw/zinc/63/38/78/557633878.db2.gz UHSSEKBLOXZQBL-LJQANCHMSA-N -1 3 406.829 5.099 50 10 HKCAHM O=[N+]([O-])c1ccc([C@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2[O-])cc1 ZINC000005077534 557634276 /nfs/dbraw/zinc/63/42/76/557634276.db2.gz USIQCHRWOBQZTQ-IBGZPJMESA-N -1 3 406.829 5.099 50 10 HKCAHM O=[N+]([O-])c1ccc([C@@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2[O-])cc1 ZINC000005077537 557634164 /nfs/dbraw/zinc/63/41/64/557634164.db2.gz USIQCHRWOBQZTQ-LJQANCHMSA-N -1 3 406.829 5.099 50 10 HKCAHM [O-]c1c([C@@H](Nc2ccccn2)c2ccc(Br)cc2)ccc2cccnc21 ZINC000005102077 557635959 /nfs/dbraw/zinc/63/59/59/557635959.db2.gz GJOFFFPLJMPGBK-IBGZPJMESA-N -1 3 406.283 5.299 50 10 HKCAHM [O-]c1c([C@H](Nc2ccccn2)c2ccc(Br)cc2)ccc2cccnc21 ZINC000005102079 557635916 /nfs/dbraw/zinc/63/59/16/557635916.db2.gz GJOFFFPLJMPGBK-LJQANCHMSA-N -1 3 406.283 5.299 50 10 HKCAHM COc1cccc(C(=O)N[C@@H](c2ccccc2Cl)c2c([O-])ccc3ccccc32)c1 ZINC000005105601 558781637 /nfs/dbraw/zinc/78/16/37/558781637.db2.gz HLYWOINQHAUFTL-DEOSSOPVSA-N -1 3 417.892 5.727 50 10 HKCAHM COc1cccc(C(=O)N[C@H](c2ccccc2Cl)c2c([O-])ccc3ccccc32)c1 ZINC000005105613 558781661 /nfs/dbraw/zinc/78/16/61/558781661.db2.gz HLYWOINQHAUFTL-XMMPIXPASA-N -1 3 417.892 5.727 50 10 HKCAHM O=C([N-]N1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=S)c1ccccc1Cl ZINC000005171679 559287757 /nfs/dbraw/zinc/28/77/57/559287757.db2.gz SXWDELUTMUCSDM-NTEUORMPSA-N -1 3 409.319 5.176 50 10 HKCAHM O=C(/C=C/c1ccccc1)N1N=C(c2ccc3ccccc3c2[O-])C[C@H]1c1ccccc1 ZINC000005180333 559289356 /nfs/dbraw/zinc/28/93/56/559289356.db2.gz GXQVKTRLDIKLCQ-BUVIUBTMSA-N -1 3 418.496 5.937 50 10 HKCAHM O=C(/C=C/c1ccccc1)N1N=C(c2ccc3ccccc3c2[O-])C[C@@H]1c1ccccc1 ZINC000005180334 559289501 /nfs/dbraw/zinc/28/95/01/559289501.db2.gz GXQVKTRLDIKLCQ-DHIVUKOYSA-N -1 3 418.496 5.937 50 10 HKCAHM Cc1cc(C)cc(Oc2c(C)oc3c(ccc([O-])c3CN3CCC[C@H](C)C3)c2=O)c1 ZINC000005182794 559290095 /nfs/dbraw/zinc/29/00/95/559290095.db2.gz WXVOWAYQWFGMRU-HNNXBMFYSA-N -1 3 407.510 5.448 50 10 HKCAHM Cc1cc(C)cc(Oc2c(C)oc3c(ccc([O-])c3CN3CCC[C@@H](C)C3)c2=O)c1 ZINC000005182796 559290107 /nfs/dbraw/zinc/29/01/07/559290107.db2.gz WXVOWAYQWFGMRU-OAHLLOKOSA-N -1 3 407.510 5.448 50 10 HKCAHM Cc1cc(C)cc(Oc2c(C)oc3c(ccc([O-])c3CN3CCC(C)CC3)c2=O)c1 ZINC000005182800 559290066 /nfs/dbraw/zinc/29/00/66/559290066.db2.gz QHDHOTGPFKAILP-UHFFFAOYSA-N -1 3 407.510 5.448 50 10 HKCAHM Cc1cc(C)cc(Oc2c(C)oc3c(ccc([O-])c3CN3CCCCCC3)c2=O)c1 ZINC000005182805 559290090 /nfs/dbraw/zinc/29/00/90/559290090.db2.gz GHCQANLUGHWYGZ-UHFFFAOYSA-N -1 3 407.510 5.592 50 10 HKCAHM Cc1ccc(C(=O)N2N=C(c3ccc4ccccc4c3[O-])C[C@H]2c2ccccc2)cc1 ZINC000005218661 560544007 /nfs/dbraw/zinc/54/40/07/560544007.db2.gz LFPAJJGLCHRMII-VWLOTQADSA-N -1 3 406.485 5.845 50 10 HKCAHM Cc1ccc(C(=O)N2N=C(c3ccc4ccccc4c3[O-])C[C@@H]2c2ccccc2)cc1 ZINC000005218666 560543992 /nfs/dbraw/zinc/54/39/92/560543992.db2.gz LFPAJJGLCHRMII-RUZDIDTESA-N -1 3 406.485 5.845 50 10 HKCAHM O=[N+]([O-])c1ccc(N[C@@H](c2ccccc2Cl)c2ccc3cccnc3c2[O-])cc1 ZINC000005278152 557643352 /nfs/dbraw/zinc/64/33/52/557643352.db2.gz ZNAGPVDUXCMETL-NRFANRHFSA-N -1 3 405.841 5.704 50 10 HKCAHM O=[N+]([O-])c1ccc(N[C@H](c2ccccc2Cl)c2ccc3cccnc3c2[O-])cc1 ZINC000005278174 557643409 /nfs/dbraw/zinc/64/34/09/557643409.db2.gz ZNAGPVDUXCMETL-OAQYLSRUSA-N -1 3 405.841 5.704 50 10 HKCAHM [O-]c1c([C@@H](Nc2ccccn2)c2cccc(Br)c2)ccc2cccnc21 ZINC000005590462 560627262 /nfs/dbraw/zinc/62/72/62/560627262.db2.gz CEZRPXUKXINVND-IBGZPJMESA-N -1 3 406.283 5.299 50 10 HKCAHM [O-]c1c([C@H](Nc2ccccn2)c2cccc(Br)c2)ccc2cccnc21 ZINC000005590469 560627300 /nfs/dbraw/zinc/62/73/00/560627300.db2.gz CEZRPXUKXINVND-LJQANCHMSA-N -1 3 406.283 5.299 50 10 HKCAHM CC(=C\c1cc(Cl)ccc1[O-])/C=C1/SC(=S)N(Cc2ccccc2)C1=O ZINC000005612443 557665168 /nfs/dbraw/zinc/66/51/68/557665168.db2.gz BXWTZAIDGCXROD-BUHHDHKDSA-N -1 3 401.940 5.393 50 10 HKCAHM [O-]c1c([C@@H](Nc2ccccn2)c2ccc(OC3CCCC3)cc2)ccc2cccnc21 ZINC000005660957 557666978 /nfs/dbraw/zinc/66/69/78/557666978.db2.gz LTZWVBLOCVAVAH-DEOSSOPVSA-N -1 3 411.505 5.858 50 10 HKCAHM [O-]c1c([C@H](Nc2ccccn2)c2ccc(OC3CCCC3)cc2)ccc2cccnc21 ZINC000005660958 557667074 /nfs/dbraw/zinc/66/70/74/557667074.db2.gz LTZWVBLOCVAVAH-XMMPIXPASA-N -1 3 411.505 5.858 50 10 HKCAHM CCOc1cccc([C@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2[O-])c1OC ZINC000005737127 557671726 /nfs/dbraw/zinc/67/17/26/557671726.db2.gz VSZDXAQTZNLUPR-HSZRJFAPSA-N -1 3 415.493 5.253 50 10 HKCAHM CCOc1cccc([C@@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2[O-])c1OC ZINC000005737130 557671833 /nfs/dbraw/zinc/67/18/33/557671833.db2.gz VSZDXAQTZNLUPR-QHCPKHFHSA-N -1 3 415.493 5.253 50 10 HKCAHM CCOc1cc(/C=C2\C(=O)N(c3ccc(C)c(Cl)c3)N=C2C)cc(Cl)c1[O-] ZINC000005872029 557678352 /nfs/dbraw/zinc/67/83/52/557678352.db2.gz HIBZEGCJMGDZSN-CHHVJCJISA-N -1 3 405.281 5.212 50 10 HKCAHM Cc1ccnc(N[C@@H](c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2[O-])c1 ZINC000005931908 568830234 /nfs/dbraw/zinc/83/02/34/568830234.db2.gz NGAWFARRBBNJRI-FQEVSTJZSA-N -1 3 409.411 5.864 50 10 HKCAHM Cc1ccnc(N[C@H](c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2[O-])c1 ZINC000005931909 568830136 /nfs/dbraw/zinc/83/01/36/568830136.db2.gz NGAWFARRBBNJRI-HXUWFJFHSA-N -1 3 409.411 5.864 50 10 HKCAHM COc1cc(-n2[n-]c(C)c(C=Nc3ccc(Cl)c(Cl)c3)c2=O)ccc1Cl ZINC000005955618 557682705 /nfs/dbraw/zinc/68/27/05/557682705.db2.gz WSEFPDLXJXHBJD-LCYFTJDESA-N -1 3 410.688 5.374 50 10 HKCAHM Cc1cccc([C@@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1 ZINC000006270331 569036271 /nfs/dbraw/zinc/03/62/71/569036271.db2.gz BFPNPUOQODBWAM-SLSDLSHTSA-N -1 3 416.546 5.622 50 10 HKCAHM O=c1oc2ccc(/N=N/c3ccc(Cl)cc3)cc2cc1-c1nc2ccccc2[n-]1 ZINC000006424121 569048460 /nfs/dbraw/zinc/04/84/60/569048460.db2.gz JRCGWSQOYNGNSY-CYYJNZCTSA-N -1 3 400.825 6.405 50 10 HKCAHM Cc1cccc([C@@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3[C@H]3C=CC[C@H]32)c1 ZINC000006707071 569095318 /nfs/dbraw/zinc/09/53/18/569095318.db2.gz BFPNPUOQODBWAM-FBLLAGFSSA-N -1 3 416.546 5.622 50 10 HKCAHM Cc1cccc([C@@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3[C@H]3C=CC[C@@H]32)c1 ZINC000006707073 569095295 /nfs/dbraw/zinc/09/52/95/569095295.db2.gz BFPNPUOQODBWAM-HWBMXIPRSA-N -1 3 416.546 5.622 50 10 HKCAHM CCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4[O-])=NN32)cc1OC ZINC000006721615 569099149 /nfs/dbraw/zinc/09/91/49/569099149.db2.gz NOPNGIPQCQNRQM-NBGIEHNGSA-N -1 3 416.477 5.042 50 10 HKCAHM CCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4[O-])=NN32)cc1OC ZINC000006721616 569099145 /nfs/dbraw/zinc/09/91/45/569099145.db2.gz NOPNGIPQCQNRQM-CPJSRVTESA-N -1 3 416.477 5.042 50 10 HKCAHM CCOc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccccc4[O-])=NN32)cc1 ZINC000006721739 569099287 /nfs/dbraw/zinc/09/92/87/569099287.db2.gz PJJBDLPWNGRRFT-SQJMNOBHSA-N -1 3 416.477 5.042 50 10 HKCAHM CCOc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccccc4[O-])=NN32)cc1 ZINC000006721740 568457967 /nfs/dbraw/zinc/45/79/67/568457967.db2.gz PJJBDLPWNGRRFT-OFVILXPXSA-N -1 3 416.477 5.042 50 10 HKCAHM O=c1oc2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)cc2cc1-c1nc2ccccc2[n-]1 ZINC000007342803 569234561 /nfs/dbraw/zinc/23/45/61/569234561.db2.gz MIPYQHAVFMYQEI-OCEACIFDSA-N -1 3 411.377 5.660 50 10 HKCAHM Cc1cc(C)cc(Oc2c(C)oc3c(ccc([O-])c3CN3CCCC[C@@H]3C)c2=O)c1 ZINC000007995046 568967127 /nfs/dbraw/zinc/96/71/27/568967127.db2.gz ZPWICQYHBDZVIL-KRWDZBQOSA-N -1 3 407.510 5.591 50 10 HKCAHM Cc1cc(C)cc(Oc2c(C)oc3c(ccc([O-])c3CN3CCCC[C@H]3C)c2=O)c1 ZINC000007995047 568967119 /nfs/dbraw/zinc/96/71/19/568967119.db2.gz ZPWICQYHBDZVIL-QGZVFWFLSA-N -1 3 407.510 5.591 50 10 HKCAHM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(Br)c2ccccc12 ZINC000008430010 557788222 /nfs/dbraw/zinc/78/82/22/557788222.db2.gz DVKGAPHIKAHATG-UYRXBGFRSA-N -1 3 420.310 5.629 50 10 HKCAHM Cc1[n-]n(-c2ccc(Br)cc2C)c(=O)c1C=Nc1ccc(C)c(Cl)c1 ZINC000008437832 557789102 /nfs/dbraw/zinc/78/91/02/557789102.db2.gz YOKIQETVSDCCNQ-YBEGLDIGSA-N -1 3 418.722 5.438 50 10 HKCAHM FC(F)(F)c1cc([N-]c2nnc(/N=N/c3ccccc3)s2)cc(C(F)(F)F)c1 ZINC000008648185 557798264 /nfs/dbraw/zinc/79/82/64/557798264.db2.gz ZQOIKTKKWDRVPX-SHHOIMCASA-N -1 3 417.338 6.735 50 10 HKCAHM O=C1c2c([O-])ccc(O)c2C(=O)c2c(Nc3ccccc3)ccc(Nc3ccccc3)c21 ZINC000008927328 571160312 /nfs/dbraw/zinc/16/03/12/571160312.db2.gz ZFPNHHAKQMROGS-UHFFFAOYSA-N -1 3 422.440 5.360 50 10 HKCAHM O=c1oc2ccc(/N=N/c3cccc(Cl)c3)cc2cc1-c1nc2ccccc2[n-]1 ZINC000009187267 571235158 /nfs/dbraw/zinc/23/51/58/571235158.db2.gz YRLJLGGBLCJYRD-CYYJNZCTSA-N -1 3 400.825 6.405 50 10 HKCAHM O=c1oc2ccc(/N=N/c3cccc4ccccc43)cc2cc1-c1nc2ccccc2[n-]1 ZINC000009187311 571235123 /nfs/dbraw/zinc/23/51/23/571235123.db2.gz BUVVMMAYHWYIST-QVIHXGFCSA-N -1 3 416.440 6.905 50 10 HKCAHM COc1ccc([C@@H]2CC(c3ccc4ccccc4c3[O-])=NN2C(=O)c2ccccc2)cc1 ZINC000009281245 571244594 /nfs/dbraw/zinc/24/45/94/571244594.db2.gz ACQVDWDZYDCAIC-VWLOTQADSA-N -1 3 422.484 5.546 50 10 HKCAHM COc1ccc([C@H]2CC(c3ccc4ccccc4c3[O-])=NN2C(=O)c2ccccc2)cc1 ZINC000009281246 571244588 /nfs/dbraw/zinc/24/45/88/571244588.db2.gz ACQVDWDZYDCAIC-RUZDIDTESA-N -1 3 422.484 5.546 50 10 HKCAHM Cc1c([O-])c(CNCc2c(F)cccc2Cl)cc2c(-c3ccccc3)cc(=O)oc12 ZINC000009410339 571255746 /nfs/dbraw/zinc/25/57/46/571255746.db2.gz CFRPKRUNCPJCGF-UHFFFAOYSA-N -1 3 423.871 5.556 50 10 HKCAHM Cc1ccc(C2=N[C@H](c3ccc(Br)cc3)N[C@H](c3ccccc3[O-])C2)cc1 ZINC000009541292 571267348 /nfs/dbraw/zinc/26/73/48/571267348.db2.gz SACYCUBACUGWEK-GMAHTHKFSA-N -1 3 421.338 5.686 50 10 HKCAHM Cc1ccc(C2=N[C@@H](c3ccc(Br)cc3)N[C@H](c3ccccc3[O-])C2)cc1 ZINC000009541294 571267385 /nfs/dbraw/zinc/26/73/85/571267385.db2.gz SACYCUBACUGWEK-JTHBVZDNSA-N -1 3 421.338 5.686 50 10 HKCAHM Cc1ccc(C2=N[C@H](c3ccc(Br)cc3)N[C@@H](c3ccccc3[O-])C2)cc1 ZINC000009541296 571267431 /nfs/dbraw/zinc/26/74/31/571267431.db2.gz SACYCUBACUGWEK-GGAORHGYSA-N -1 3 421.338 5.686 50 10 HKCAHM Cc1ccc(C2=N[C@@H](c3ccc(Br)cc3)N[C@@H](c3ccccc3[O-])C2)cc1 ZINC000009541297 571267403 /nfs/dbraw/zinc/26/74/03/571267403.db2.gz SACYCUBACUGWEK-FYYLOGMGSA-N -1 3 421.338 5.686 50 10 HKCAHM [O-]c1ccc2ncccc2c1[C@@H](Nc1ccccn1)c1cccc(Br)c1 ZINC000009775241 557849669 /nfs/dbraw/zinc/84/96/69/557849669.db2.gz IOJCTGUDFQVUEZ-NRFANRHFSA-N -1 3 406.283 5.299 50 10 HKCAHM [O-]c1ccc2ncccc2c1[C@@H](Nc1ccccn1)c1ccc(Br)cc1 ZINC000009775244 557849685 /nfs/dbraw/zinc/84/96/85/557849685.db2.gz RLKMCPRJMIJCJK-NRFANRHFSA-N -1 3 406.283 5.299 50 10 HKCAHM [O-]c1ccc2ncccc2c1[C@H](Nc1ccccn1)c1ccc(Br)cc1 ZINC000009775245 557849576 /nfs/dbraw/zinc/84/95/76/557849576.db2.gz RLKMCPRJMIJCJK-OAQYLSRUSA-N -1 3 406.283 5.299 50 10 HKCAHM [O-]c1ccc2ncccc2c1[C@H](Nc1ccccn1)c1cccc(Br)c1 ZINC000009777395 557849679 /nfs/dbraw/zinc/84/96/79/557849679.db2.gz IOJCTGUDFQVUEZ-OAQYLSRUSA-N -1 3 406.283 5.299 50 10 HKCAHM [O-]c1ccc(Cl)cc1C1=NN2[C@@H](C1)c1cc(Cl)ccc1O[C@@H]2c1ccsc1 ZINC000010215344 571297092 /nfs/dbraw/zinc/29/70/92/571297092.db2.gz RKFLGADYNUIFSK-FXAWDEMLSA-N -1 3 417.317 6.003 50 10 HKCAHM [O-]c1ccc(Cl)cc1C1=NN2[C@H](C1)c1cc(Cl)ccc1O[C@@H]2c1ccsc1 ZINC000010215349 571297121 /nfs/dbraw/zinc/29/71/21/571297121.db2.gz RKFLGADYNUIFSK-YLJYHZDGSA-N -1 3 417.317 6.003 50 10 HKCAHM [O-]c1ccc(Cl)cc1C1=NN2[C@@H](C1)c1cc(Cl)ccc1O[C@@H]2c1ccco1 ZINC000010215352 571297043 /nfs/dbraw/zinc/29/70/43/571297043.db2.gz LKGLOWHRKVOXEQ-OXJNMPFZSA-N -1 3 401.249 5.534 50 10 HKCAHM [O-]c1ccc(Cl)cc1C1=NN2[C@@H](C1)c1cc(Cl)ccc1O[C@H]2c1ccco1 ZINC000010215356 571297112 /nfs/dbraw/zinc/29/71/12/571297112.db2.gz LKGLOWHRKVOXEQ-JXFKEZNVSA-N -1 3 401.249 5.534 50 10 HKCAHM CCOc1cccc2c1O[C@H](c1sccc1C)N1N=C(c3ccccc3[O-])C[C@H]21 ZINC000010215903 571297133 /nfs/dbraw/zinc/29/71/33/571297133.db2.gz DNLGNANDJKVQJH-WZONZLPQSA-N -1 3 406.507 5.403 50 10 HKCAHM CCOc1cccc2c1O[C@@H](c1sccc1C)N1N=C(c3ccccc3[O-])C[C@H]21 ZINC000010215906 571297220 /nfs/dbraw/zinc/29/72/20/571297220.db2.gz DNLGNANDJKVQJH-JPYJTQIMSA-N -1 3 406.507 5.403 50 10 HKCAHM COc1cccc2c1O[C@H](c1cccs1)N1N=C(c3cc(Cl)ccc3[O-])C[C@H]21 ZINC000010215967 571297155 /nfs/dbraw/zinc/29/71/55/571297155.db2.gz TVDGONDTPAVSRV-IIBYNOLFSA-N -1 3 412.898 5.358 50 10 HKCAHM COc1cccc2c1O[C@@H](c1cccs1)N1N=C(c3cc(Cl)ccc3[O-])C[C@H]21 ZINC000010215972 571297169 /nfs/dbraw/zinc/29/71/69/571297169.db2.gz TVDGONDTPAVSRV-IERDGZPVSA-N -1 3 412.898 5.358 50 10 HKCAHM COc1cccc2c1O[C@H](c1ccsc1)N1N=C(c3cc(Cl)ccc3[O-])C[C@H]21 ZINC000010215977 571297181 /nfs/dbraw/zinc/29/71/81/571297181.db2.gz NISITWDMQGXPRL-DYESRHJHSA-N -1 3 412.898 5.358 50 10 HKCAHM COc1cccc2c1O[C@@H](c1ccsc1)N1N=C(c3cc(Cl)ccc3[O-])C[C@H]21 ZINC000010215981 571297232 /nfs/dbraw/zinc/29/72/32/571297232.db2.gz NISITWDMQGXPRL-UTKZUKDTSA-N -1 3 412.898 5.358 50 10 HKCAHM CCOc1cccc2c1O[C@H](c1ccncc1)N1N=C(c3cc(Cl)ccc3[O-])C[C@H]21 ZINC000010215996 571297225 /nfs/dbraw/zinc/29/72/25/571297225.db2.gz FTZPGFNNZGFBAR-AUSIDOKSSA-N -1 3 421.884 5.082 50 10 HKCAHM CCOc1cccc2c1O[C@@H](c1ccncc1)N1N=C(c3cc(Cl)ccc3[O-])C[C@H]21 ZINC000010215999 571297229 /nfs/dbraw/zinc/29/72/29/571297229.db2.gz FTZPGFNNZGFBAR-XXBNENTESA-N -1 3 421.884 5.082 50 10 HKCAHM CCOc1cccc2c1O[C@H](c1cccnc1)N1N=C(c3cc(Cl)ccc3[O-])C[C@H]21 ZINC000010216005 571297193 /nfs/dbraw/zinc/29/71/93/571297193.db2.gz SCMJVIXUSKAJOR-AUSIDOKSSA-N -1 3 421.884 5.082 50 10 HKCAHM CCOc1cccc2c1O[C@@H](c1cccnc1)N1N=C(c3cc(Cl)ccc3[O-])C[C@H]21 ZINC000010216008 571297177 /nfs/dbraw/zinc/29/71/77/571297177.db2.gz SCMJVIXUSKAJOR-XXBNENTESA-N -1 3 421.884 5.082 50 10 HKCAHM CCOc1cccc2c1O[C@H](c1ccccn1)N1N=C(c3cc(Cl)ccc3[O-])C[C@H]21 ZINC000010216013 571297138 /nfs/dbraw/zinc/29/71/38/571297138.db2.gz VPQWFAYSCJGCNW-AUSIDOKSSA-N -1 3 421.884 5.082 50 10 HKCAHM CCOc1cccc2c1O[C@@H](c1ccccn1)N1N=C(c3cc(Cl)ccc3[O-])C[C@H]21 ZINC000010216017 571297272 /nfs/dbraw/zinc/29/72/72/571297272.db2.gz VPQWFAYSCJGCNW-XXBNENTESA-N -1 3 421.884 5.082 50 10 HKCAHM CCOc1cccc2c1O[C@H](c1ccco1)N1N=C(c3cc(Cl)ccc3[O-])C[C@H]21 ZINC000010216032 571297350 /nfs/dbraw/zinc/29/73/50/571297350.db2.gz IJRHJQJXMMJUEF-VGOFRKELSA-N -1 3 410.857 5.280 50 10 HKCAHM CCOc1cccc2c1O[C@@H](c1ccco1)N1N=C(c3cc(Cl)ccc3[O-])C[C@H]21 ZINC000010216036 571297311 /nfs/dbraw/zinc/29/73/11/571297311.db2.gz IJRHJQJXMMJUEF-VGSWGCGISA-N -1 3 410.857 5.280 50 10 HKCAHM [O-]c1ccc(-c2ccccn2)cc1CN[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000011786079 558276210 /nfs/dbraw/zinc/27/62/10/558276210.db2.gz XVRJUKHJDAIXGK-VWLOTQADSA-N -1 3 400.909 5.987 50 10 HKCAHM [O-]c1ccc(-c2ccccn2)cc1CN[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000011786080 558276301 /nfs/dbraw/zinc/27/63/01/558276301.db2.gz XVRJUKHJDAIXGK-RUZDIDTESA-N -1 3 400.909 5.987 50 10 HKCAHM CN(Cc1csc(-c2ccccc2)n1)Cc1cc(-c2ccc(F)cc2)ccc1[O-] ZINC000012128465 558331887 /nfs/dbraw/zinc/33/18/87/558331887.db2.gz GWHYSJSJLIOHMG-UHFFFAOYSA-N -1 3 404.510 5.954 50 10 HKCAHM [O-]c1ccc(-c2nc3ccccc3s2)cc1CNC(c1ccccc1)c1ccccc1 ZINC000012211871 558354147 /nfs/dbraw/zinc/35/41/47/558354147.db2.gz RTEVHTKTFQTDJD-UHFFFAOYSA-N -1 3 422.553 6.548 50 10 HKCAHM Cc1cc([C@@]([O-])(c2nc3ccccc3s2)C(F)(F)F)c(C)n1-c1ccc(C)cc1 ZINC000012619456 568872423 /nfs/dbraw/zinc/87/24/23/568872423.db2.gz VPIYPLIUHCGJQI-OAQYLSRUSA-N -1 3 416.468 5.810 50 10 HKCAHM Cc1cc([C@]([O-])(c2nc3ccccc3s2)C(F)(F)F)c(C)n1-c1ccc(C)cc1 ZINC000012619461 568872443 /nfs/dbraw/zinc/87/24/43/568872443.db2.gz VPIYPLIUHCGJQI-NRFANRHFSA-N -1 3 416.468 5.810 50 10 HKCAHM O=C(c1ccccc1)N1N=C(c2ccccc2[O-])C[C@H]1c1ccc(Br)cc1 ZINC000013121887 558517511 /nfs/dbraw/zinc/51/75/11/558517511.db2.gz KJVCBZOAOWMSJT-FQEVSTJZSA-N -1 3 421.294 5.146 50 10 HKCAHM O=C(c1ccccc1)N1N=C(c2ccccc2[O-])C[C@@H]1c1ccc(Br)cc1 ZINC000013121888 558517529 /nfs/dbraw/zinc/51/75/29/558517529.db2.gz KJVCBZOAOWMSJT-HXUWFJFHSA-N -1 3 421.294 5.146 50 10 HKCAHM CCCC(=O)N[C@@H](c1ccc(Cl)cc1Cl)c1cc(Cl)c2cccnc2c1[O-] ZINC000013402226 558531575 /nfs/dbraw/zinc/53/15/75/558531575.db2.gz FHZWPXVIPFVYMQ-SFHVURJKSA-N -1 3 423.727 5.906 50 10 HKCAHM CCCC(=O)N[C@H](c1ccc(Cl)cc1Cl)c1cc(Cl)c2cccnc2c1[O-] ZINC000013402230 558531470 /nfs/dbraw/zinc/53/14/70/558531470.db2.gz FHZWPXVIPFVYMQ-GOSISDBHSA-N -1 3 423.727 5.906 50 10 HKCAHM CCCCCCn1c2ccccc2nc1NCc1cc(Br)ccc1[O-] ZINC000013535670 558537289 /nfs/dbraw/zinc/53/72/89/558537289.db2.gz FKAMNBDKFVTICX-UHFFFAOYSA-N -1 3 402.336 5.697 50 10 HKCAHM Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1cccc2ccccc21 ZINC000013549101 560815509 /nfs/dbraw/zinc/81/55/09/560815509.db2.gz CWZRTQVXLQFZAV-UYRXBGFRSA-N -1 3 406.283 5.321 50 10 HKCAHM CC(C)c1ccc(/C=C2\SC(=S)N([N-]C(=O)c3ccccc3Cl)C2=O)cc1 ZINC000013601318 558547595 /nfs/dbraw/zinc/54/75/95/558547595.db2.gz FZWZMHPPIMPAKE-BOPFTXTBSA-N -1 3 416.955 5.010 50 10 HKCAHM CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1cc(C)cc(C)c1 ZINC000013661296 558559714 /nfs/dbraw/zinc/55/97/14/558559714.db2.gz AQOHOSGMSHELRG-LTGZKZEYSA-N -1 3 404.539 5.802 50 10 HKCAHM CCOc1cc(/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)cc(Cl)c1[O-] ZINC000013913971 558664186 /nfs/dbraw/zinc/66/41/86/558664186.db2.gz MKXUBQJWZFRVPX-CHHVJCJISA-N -1 3 424.806 5.269 50 10 HKCAHM COc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc(Cl)c1[O-] ZINC000013914948 558938331 /nfs/dbraw/zinc/93/83/31/558938331.db2.gz QJLIVPIOOBMECF-XGICHPGQSA-N -1 3 411.672 5.167 50 10 HKCAHM COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1[O-] ZINC000013943401 558605433 /nfs/dbraw/zinc/60/54/33/558605433.db2.gz YTARBRUXNJBGPC-AUWJEWJLSA-N -1 3 412.319 5.113 50 10 HKCAHM COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1[O-] ZINC000015008355 558699473 /nfs/dbraw/zinc/69/94/73/558699473.db2.gz YHWFXIKWTWCJAR-CXUHLZMHSA-N -1 3 405.928 5.077 50 10 HKCAHM COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1[O-] ZINC000015011894 558700752 /nfs/dbraw/zinc/70/07/52/558700752.db2.gz YTARBRUXNJBGPC-VGOFMYFVSA-N -1 3 412.319 5.113 50 10 HKCAHM CCOc1cc(/C=C2\C(=O)N(c3ccc4ccccc4c3)N=C2C)cc(Cl)c1[O-] ZINC000015016256 558702055 /nfs/dbraw/zinc/70/20/55/558702055.db2.gz QGNYXRBUGQLCSE-GRSHGNNSSA-N -1 3 406.869 5.404 50 10 HKCAHM Cc1ccnc(N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)c2ccc3cccnc3c2[O-])c1 ZINC000015016379 558702075 /nfs/dbraw/zinc/70/20/75/558702075.db2.gz CALYGCWCEXJTET-FQEVSTJZSA-N -1 3 420.856 5.407 50 10 HKCAHM Cc1ccnc(N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)c2ccc3cccnc3c2[O-])c1 ZINC000015016380 558701992 /nfs/dbraw/zinc/70/19/92/558701992.db2.gz CALYGCWCEXJTET-HXUWFJFHSA-N -1 3 420.856 5.407 50 10 HKCAHM Cc1ccnc(N[C@@H](c2ccc3ccc(C)nc3c2[O-])c2c(F)cccc2Cl)c1 ZINC000015016650 558702320 /nfs/dbraw/zinc/70/23/20/558702320.db2.gz SYYZYVVAJRRBMP-QFIPXVFZSA-N -1 3 407.876 5.946 50 10 HKCAHM Cc1ccnc(N[C@H](c2ccc3ccc(C)nc3c2[O-])c2c(F)cccc2Cl)c1 ZINC000015016651 558702287 /nfs/dbraw/zinc/70/22/87/558702287.db2.gz SYYZYVVAJRRBMP-JOCHJYFZSA-N -1 3 407.876 5.946 50 10 HKCAHM CSc1ccc([C@@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2[O-])cc1 ZINC000015016652 558702307 /nfs/dbraw/zinc/70/23/07/558702307.db2.gz XGXDLULMEQQWTN-JOCHJYFZSA-N -1 3 401.535 5.876 50 10 HKCAHM CSc1ccc([C@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2[O-])cc1 ZINC000015016653 558702261 /nfs/dbraw/zinc/70/22/61/558702261.db2.gz XGXDLULMEQQWTN-QFIPXVFZSA-N -1 3 401.535 5.876 50 10 HKCAHM COc1cc(Cl)cc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1[O-] ZINC000015016856 558702540 /nfs/dbraw/zinc/70/25/40/558702540.db2.gz CTMMFJRACJWHSJ-IERDGZPVSA-N -1 3 412.898 5.358 50 10 HKCAHM COc1cc(Cl)cc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1[O-] ZINC000015016857 558702498 /nfs/dbraw/zinc/70/24/98/558702498.db2.gz CTMMFJRACJWHSJ-IIBYNOLFSA-N -1 3 412.898 5.358 50 10 HKCAHM [O-]c1c([C@@H](Nc2ccccn2)c2c(F)cccc2Cl)cc(Cl)c2cccnc12 ZINC000015016963 558702736 /nfs/dbraw/zinc/70/27/36/558702736.db2.gz QPRHRZANSCEYHV-LJQANCHMSA-N -1 3 414.267 5.983 50 10 HKCAHM [O-]c1c([C@H](Nc2ccccn2)c2c(F)cccc2Cl)cc(Cl)c2cccnc12 ZINC000015016964 558702700 /nfs/dbraw/zinc/70/27/00/558702700.db2.gz QPRHRZANSCEYHV-IBGZPJMESA-N -1 3 414.267 5.983 50 10 HKCAHM CC[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)cc(C)c2[O-])N3)C1 ZINC000015945402 558763450 /nfs/dbraw/zinc/76/34/50/558763450.db2.gz HTRALBVLQRXMGO-QGHHPUGFSA-N -1 3 421.360 5.468 50 10 HKCAHM CC[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)cc(C)c2[O-])N3)C1 ZINC000015945404 558763509 /nfs/dbraw/zinc/76/35/09/558763509.db2.gz HTRALBVLQRXMGO-BTDLBPIBSA-N -1 3 421.360 5.468 50 10 HKCAHM CC[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)cc(C)c2[O-])N3)C1 ZINC000015945406 558763485 /nfs/dbraw/zinc/76/34/85/558763485.db2.gz HTRALBVLQRXMGO-BMLIUANNSA-N -1 3 421.360 5.468 50 10 HKCAHM CC[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)cc(C)c2[O-])N3)C1 ZINC000015945408 558763398 /nfs/dbraw/zinc/76/33/98/558763398.db2.gz HTRALBVLQRXMGO-DYZYQPBXSA-N -1 3 421.360 5.468 50 10 HKCAHM Cc1[n-]n(-c2ccccc2)c(=S)c1C=Nc1ccc(Br)c2cccnc12 ZINC000017186187 569276299 /nfs/dbraw/zinc/27/62/99/569276299.db2.gz PXASPSQXDLVEIJ-FOWTUZBSSA-N -1 3 423.339 5.517 50 10 HKCAHM [O-]c1ccc2ccccc2c1CNc1ncc(Br)cc1Br ZINC000018136997 560779642 /nfs/dbraw/zinc/77/96/42/560779642.db2.gz RCIUHRPXTLPEAX-UHFFFAOYSA-N -1 3 408.093 5.078 50 10 HKCAHM Cc1ccnc(N[C@@H](c2ccc3ccc(C)nc3c2[O-])c2c(Cl)cccc2Cl)c1 ZINC000018190082 558832901 /nfs/dbraw/zinc/83/29/01/558832901.db2.gz AUWBYGKTYGPRHY-QFIPXVFZSA-N -1 3 424.331 6.461 50 10 HKCAHM Cc1ccnc(N[C@H](c2ccc3ccc(C)nc3c2[O-])c2c(Cl)cccc2Cl)c1 ZINC000018190084 558832932 /nfs/dbraw/zinc/83/29/32/558832932.db2.gz AUWBYGKTYGPRHY-JOCHJYFZSA-N -1 3 424.331 6.461 50 10 HKCAHM CCOc1ccc([C@@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2[O-])cc1OC ZINC000018190477 558832881 /nfs/dbraw/zinc/83/28/81/558832881.db2.gz HKCRQZKYEZZYKD-HSZRJFAPSA-N -1 3 415.493 5.253 50 10 HKCAHM CCOc1ccc([C@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2[O-])cc1OC ZINC000018190480 558832925 /nfs/dbraw/zinc/83/29/25/558832925.db2.gz HKCRQZKYEZZYKD-QHCPKHFHSA-N -1 3 415.493 5.253 50 10 HKCAHM CCN(CC)c1ccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)c([O-])c1 ZINC000019323313 558867601 /nfs/dbraw/zinc/86/76/01/558867601.db2.gz FSMOGYAYOBTPSD-UHFFFAOYSA-N -1 3 415.581 5.255 50 10 HKCAHM Cc1oc2c(c1C(=O)c1ccc(Cl)cc1)c(CN(C)C)c([O-])c(Cl)c2Cl ZINC000019594758 558945584 /nfs/dbraw/zinc/94/55/84/558945584.db2.gz VIYMPGWTEWZRDT-UHFFFAOYSA-N -1 3 412.700 5.700 50 10 HKCAHM O=c1c2ccc([O-])c(CN3CCCCC3)c2occ1-c1ccc(Cl)cc1Cl ZINC000019682152 558956893 /nfs/dbraw/zinc/95/68/93/558956893.db2.gz MVJMELYOOGQQRY-UHFFFAOYSA-N -1 3 404.293 5.458 50 10 biogenic HKCAHM Cc1ccc(Oc2c(=O)c3ccc([O-])c(CN4CCCC4)c3oc2C(F)(F)F)cc1 ZINC000019691244 558960609 /nfs/dbraw/zinc/96/06/09/558960609.db2.gz HAFVKGSMTVKXDX-UHFFFAOYSA-N -1 3 419.399 5.214 50 10 HKCAHM CC1CCN(Cc2c([O-])ccc3c(=O)c(-c4ccc(Cl)cc4Cl)coc32)CC1 ZINC000019789600 569429837 /nfs/dbraw/zinc/42/98/37/569429837.db2.gz HTZVRPLGRVZHRA-UHFFFAOYSA-N -1 3 418.320 5.704 50 10 HKCAHM O=c1c2ccc([O-])c(CN3CCCCCC3)c2occ1-c1ccc(Cl)cc1Cl ZINC000019789604 558282293 /nfs/dbraw/zinc/28/22/93/558282293.db2.gz BFHHVFRLXHSMES-UHFFFAOYSA-N -1 3 418.320 5.848 50 10 HKCAHM CCN(CC)Cc1c([O-])ccc2c(=O)c(-c3ccccc3OC)c(C(F)(F)F)oc21 ZINC000019790366 558282180 /nfs/dbraw/zinc/28/21/80/558282180.db2.gz UVDQHGNTHJYSAP-UHFFFAOYSA-N -1 3 421.415 5.035 50 10 biogenic HKCAHM CC1CCN(Cc2c([O-])ccc3c(=O)c(-c4ccccc4)c(C(F)(F)F)oc32)CC1 ZINC000019791517 569429876 /nfs/dbraw/zinc/42/98/76/569429876.db2.gz MNYIIKDOBWJKNU-UHFFFAOYSA-N -1 3 417.427 5.416 50 10 HKCAHM O=c1c2ccc([O-])c(CN3CCCCC3)c2oc(C(F)(F)F)c1-c1ccccc1 ZINC000019791518 569429887 /nfs/dbraw/zinc/42/98/87/569429887.db2.gz SPNKBIKMBXQPTK-UHFFFAOYSA-N -1 3 403.400 5.170 50 10 HKCAHM O=c1c2ccc([O-])c(CN3CCCCCC3)c2oc(C(F)(F)F)c1-c1ccccc1 ZINC000019791524 558282669 /nfs/dbraw/zinc/28/26/69/558282669.db2.gz ZSPVRWPLBGRZPO-UHFFFAOYSA-N -1 3 417.427 5.560 50 10 biogenic HKCAHM C[C@@H]1CCCCN1Cc1c([O-])ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc21 ZINC000019791534 558282853 /nfs/dbraw/zinc/28/28/53/558282853.db2.gz CTSZSOSUWPEOKL-CQSZACIVSA-N -1 3 417.427 5.559 50 10 biogenic HKCAHM C[C@H]1CCCCN1Cc1c([O-])ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc21 ZINC000019791535 558282818 /nfs/dbraw/zinc/28/28/18/558282818.db2.gz CTSZSOSUWPEOKL-AWEZNQCLSA-N -1 3 417.427 5.559 50 10 biogenic HKCAHM C[C@@H]1CCCCN1Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3Cl)coc21 ZINC000019791537 558283019 /nfs/dbraw/zinc/28/30/19/558283019.db2.gz VFKFAHXTUGUHIJ-CYBMUJFWSA-N -1 3 418.320 5.847 50 10 HKCAHM C[C@H]1CCCCN1Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3Cl)coc21 ZINC000019791538 558282976 /nfs/dbraw/zinc/28/29/76/558282976.db2.gz VFKFAHXTUGUHIJ-ZDUSSCGKSA-N -1 3 418.320 5.847 50 10 HKCAHM CCN(CC)Cc1c([O-])ccc2c(=O)c(Oc3cccc(C)c3)c(C(F)(F)F)oc21 ZINC000019791545 558283098 /nfs/dbraw/zinc/28/30/98/558283098.db2.gz HONLVPPREWTNHN-UHFFFAOYSA-N -1 3 421.415 5.460 50 10 biogenic HKCAHM Cc1cccc(Oc2c(=O)c3ccc([O-])c(CN4CCCC4)c3oc2C(F)(F)F)c1 ZINC000019791775 558282965 /nfs/dbraw/zinc/28/29/65/558282965.db2.gz AGKYEWBUYBYQFA-UHFFFAOYSA-N -1 3 419.399 5.214 50 10 HKCAHM CCN(CC)Cc1c([O-])ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)coc21 ZINC000019791837 558283075 /nfs/dbraw/zinc/28/30/75/558283075.db2.gz HEDHREYQKRQWIN-UHFFFAOYSA-N -1 3 415.489 5.800 50 10 HKCAHM CCCCN(C)Cc1c([O-])ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc21 ZINC000019792791 569429893 /nfs/dbraw/zinc/42/98/93/569429893.db2.gz VNJMHUOCMTXGMK-UHFFFAOYSA-N -1 3 405.416 5.416 50 10 HKCAHM Cc1oc2c(ccc([O-])c2CN2CCCC[C@H]2C)c(=O)c1-c1nc2ccccc2s1 ZINC000019794746 569430232 /nfs/dbraw/zinc/43/02/32/569430232.db2.gz GTULVKNEFCCPIH-CQSZACIVSA-N -1 3 420.534 5.458 50 10 biogenic HKCAHM Cc1oc2c(ccc([O-])c2CN2CCCC[C@@H]2C)c(=O)c1-c1nc2ccccc2s1 ZINC000019794747 569430202 /nfs/dbraw/zinc/43/02/02/569430202.db2.gz GTULVKNEFCCPIH-AWEZNQCLSA-N -1 3 420.534 5.458 50 10 biogenic HKCAHM CCOc1cc([C@@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2[O-])ccc1O ZINC000019849871 558295360 /nfs/dbraw/zinc/29/53/60/558295360.db2.gz YYVXSAJIUCJTPC-HSZRJFAPSA-N -1 3 415.493 5.258 50 10 HKCAHM CCOc1cc([C@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2[O-])ccc1O ZINC000019849872 558295385 /nfs/dbraw/zinc/29/53/85/558295385.db2.gz YYVXSAJIUCJTPC-QHCPKHFHSA-N -1 3 415.493 5.258 50 10 HKCAHM O=c1c2ccc([O-])c(CN3CCCCC3)c2oc(C(F)(F)F)c1Oc1ccccc1 ZINC000019867786 558299347 /nfs/dbraw/zinc/29/93/47/558299347.db2.gz WNSRLWJIDGAXRU-UHFFFAOYSA-N -1 3 419.399 5.296 50 10 HKCAHM CCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4[O-])=NN32)cc1OC ZINC000020070670 568587357 /nfs/dbraw/zinc/58/73/57/568587357.db2.gz NOPNGIPQCQNRQM-NLFFAJNJSA-N -1 3 416.477 5.042 50 10 HKCAHM CCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4[O-])=NN32)cc1OC ZINC000020070673 568587504 /nfs/dbraw/zinc/58/75/04/568587504.db2.gz NOPNGIPQCQNRQM-CJFMBICVSA-N -1 3 416.477 5.042 50 10 HKCAHM COc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4[O-])=NN32)cc1O ZINC000020070736 568587310 /nfs/dbraw/zinc/58/73/10/568587310.db2.gz MNFBIVTZUKIBJQ-MBSDFSHPSA-N -1 3 422.868 5.002 50 10 HKCAHM COc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4[O-])=NN32)cc1O ZINC000020070739 568587307 /nfs/dbraw/zinc/58/73/07/568587307.db2.gz MNFBIVTZUKIBJQ-FDDCHVKYSA-N -1 3 422.868 5.002 50 10 HKCAHM COc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4[O-])=NN32)cc1O ZINC000020070742 568587418 /nfs/dbraw/zinc/58/74/18/568587418.db2.gz MNFBIVTZUKIBJQ-JPYJTQIMSA-N -1 3 422.868 5.002 50 10 HKCAHM COc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4[O-])=NN32)cc1O ZINC000020070744 568587299 /nfs/dbraw/zinc/58/72/99/568587299.db2.gz MNFBIVTZUKIBJQ-WZONZLPQSA-N -1 3 422.868 5.002 50 10 HKCAHM COc1cc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4[O-])=NN32)ccc1O ZINC000020070747 568587469 /nfs/dbraw/zinc/58/74/69/568587469.db2.gz SKXNYHUOXSATSX-MBSDFSHPSA-N -1 3 422.868 5.002 50 10 HKCAHM COc1cc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4[O-])=NN32)ccc1O ZINC000020070750 568587412 /nfs/dbraw/zinc/58/74/12/568587412.db2.gz SKXNYHUOXSATSX-FDDCHVKYSA-N -1 3 422.868 5.002 50 10 HKCAHM COc1cc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4[O-])=NN32)ccc1O ZINC000020070753 568587402 /nfs/dbraw/zinc/58/74/02/568587402.db2.gz SKXNYHUOXSATSX-JPYJTQIMSA-N -1 3 422.868 5.002 50 10 HKCAHM COc1cc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4[O-])=NN32)ccc1O ZINC000020070756 568587331 /nfs/dbraw/zinc/58/73/31/568587331.db2.gz SKXNYHUOXSATSX-WZONZLPQSA-N -1 3 422.868 5.002 50 10 HKCAHM COc1cc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cc(Cl)ccc4[O-])=NN32)ccc1O ZINC000020070821 568587383 /nfs/dbraw/zinc/58/73/83/568587383.db2.gz YWGRYVMRUYWRCD-MBSDFSHPSA-N -1 3 422.868 5.002 50 10 HKCAHM COc1cc([C@H]2Oc3ccccc3[C@@H]3CC(c4cc(Cl)ccc4[O-])=NN32)ccc1O ZINC000020070823 568587490 /nfs/dbraw/zinc/58/74/90/568587490.db2.gz YWGRYVMRUYWRCD-FDDCHVKYSA-N -1 3 422.868 5.002 50 10 HKCAHM COc1cc([C@@H]2Oc3ccccc3[C@H]3CC(c4cc(Cl)ccc4[O-])=NN32)ccc1O ZINC000020070826 568587438 /nfs/dbraw/zinc/58/74/38/568587438.db2.gz YWGRYVMRUYWRCD-JPYJTQIMSA-N -1 3 422.868 5.002 50 10 HKCAHM COc1cc([C@H]2Oc3ccccc3[C@H]3CC(c4cc(Cl)ccc4[O-])=NN32)ccc1O ZINC000020070829 568587424 /nfs/dbraw/zinc/58/74/24/568587424.db2.gz YWGRYVMRUYWRCD-WZONZLPQSA-N -1 3 422.868 5.002 50 10 HKCAHM CCOc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccccc4[O-])=NN32)cc1 ZINC000020071051 568587680 /nfs/dbraw/zinc/58/76/80/568587680.db2.gz PJJBDLPWNGRRFT-BWKNWUBXSA-N -1 3 416.477 5.042 50 10 HKCAHM CCOc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccccc4[O-])=NN32)cc1 ZINC000020071053 568587751 /nfs/dbraw/zinc/58/77/51/568587751.db2.gz PJJBDLPWNGRRFT-PXDATVDWSA-N -1 3 416.477 5.042 50 10 HKCAHM COc1cccc2c1O[C@H](c1cccc(O)c1)N1N=C(c3cc(Cl)ccc3[O-])C[C@@H]21 ZINC000020071199 568587663 /nfs/dbraw/zinc/58/76/63/568587663.db2.gz SULFABMBIPMFDQ-WMZHIEFXSA-N -1 3 422.868 5.002 50 10 HKCAHM COc1cccc2c1O[C@H](c1cccc(O)c1)N1N=C(c3cc(Cl)ccc3[O-])C[C@H]21 ZINC000020071201 568587715 /nfs/dbraw/zinc/58/77/15/568587715.db2.gz SULFABMBIPMFDQ-AUSIDOKSSA-N -1 3 422.868 5.002 50 10 HKCAHM COc1cccc2c1O[C@H](c1ccc(O)cc1)N1N=C(c3cc(Cl)ccc3[O-])C[C@@H]21 ZINC000020071227 568587735 /nfs/dbraw/zinc/58/77/35/568587735.db2.gz LPGAGUCQEXUGTO-WMZHIEFXSA-N -1 3 422.868 5.002 50 10 HKCAHM COc1cccc2c1O[C@H](c1ccc(O)cc1)N1N=C(c3cc(Cl)ccc3[O-])C[C@H]21 ZINC000020071230 568587581 /nfs/dbraw/zinc/58/75/81/568587581.db2.gz LPGAGUCQEXUGTO-AUSIDOKSSA-N -1 3 422.868 5.002 50 10 HKCAHM CC1CCN(Cc2c([O-])ccc3c(=O)c(-c4nc5ccccc5s4)coc32)CC1 ZINC000020192424 568593562 /nfs/dbraw/zinc/59/35/62/568593562.db2.gz ATCMOHWSWARZAW-UHFFFAOYSA-N -1 3 406.507 5.007 50 10 HKCAHM C[C@@H]1CCCN(Cc2c([O-])ccc3c(=O)c(-c4nc5ccccc5s4)coc32)C1 ZINC000020231470 569064359 /nfs/dbraw/zinc/06/43/59/569064359.db2.gz WFRSFJHNRAQMBY-CQSZACIVSA-N -1 3 406.507 5.007 50 10 HKCAHM C[C@H]1CCCN(Cc2c([O-])ccc3c(=O)c(-c4nc5ccccc5s4)coc32)C1 ZINC000020231473 568595220 /nfs/dbraw/zinc/59/52/20/568595220.db2.gz WFRSFJHNRAQMBY-AWEZNQCLSA-N -1 3 406.507 5.007 50 10 HKCAHM C[C@@H]1CCCCN1Cc1c([O-])ccc2c(=O)c(-c3nc4ccccc4s3)coc21 ZINC000020233247 568595478 /nfs/dbraw/zinc/59/54/78/568595478.db2.gz JPMBWXPVXZPNGX-CQSZACIVSA-N -1 3 406.507 5.150 50 10 HKCAHM C[C@H]1CCCCN1Cc1c([O-])ccc2c(=O)c(-c3nc4ccccc4s3)coc21 ZINC000020233252 568595521 /nfs/dbraw/zinc/59/55/21/568595521.db2.gz JPMBWXPVXZPNGX-AWEZNQCLSA-N -1 3 406.507 5.150 50 10 HKCAHM CCCCCCc1c(C)c2cc(Cl)c([O-])c(CN3CCC[C@@H](C)C3)c2oc1=O ZINC000020266624 558352745 /nfs/dbraw/zinc/35/27/45/558352745.db2.gz YTXMQFMTPUVPAO-OAHLLOKOSA-N -1 3 405.966 5.815 50 10 HKCAHM CCCCCCc1c(C)c2cc(Cl)c([O-])c(CN3CCC[C@H](C)C3)c2oc1=O ZINC000020266627 558352814 /nfs/dbraw/zinc/35/28/14/558352814.db2.gz YTXMQFMTPUVPAO-HNNXBMFYSA-N -1 3 405.966 5.815 50 10 HKCAHM Cc1c2cc(Cl)c([O-])c(CN3CCC[C@@H](C)C3)c2oc(=O)c1Cc1ccccc1 ZINC000020328637 558355904 /nfs/dbraw/zinc/35/59/04/558355904.db2.gz IMSTWSGOWCZXAJ-OAHLLOKOSA-N -1 3 411.929 5.283 50 10 HKCAHM Cc1c2cc(Cl)c([O-])c(CN3CCC[C@H](C)C3)c2oc(=O)c1Cc1ccccc1 ZINC000020328643 558355842 /nfs/dbraw/zinc/35/58/42/558355842.db2.gz IMSTWSGOWCZXAJ-HNNXBMFYSA-N -1 3 411.929 5.283 50 10 HKCAHM C[C@@H]1CCCN(Cc2c([O-])ccc3c(=O)c(-c4ccccc4)c(C(F)(F)F)oc32)C1 ZINC000020412395 568605583 /nfs/dbraw/zinc/60/55/83/568605583.db2.gz CEJHQXJNVXBZGW-CQSZACIVSA-N -1 3 417.427 5.416 50 10 HKCAHM C[C@H]1CCCN(Cc2c([O-])ccc3c(=O)c(-c4ccccc4)c(C(F)(F)F)oc32)C1 ZINC000020412397 568605420 /nfs/dbraw/zinc/60/54/20/568605420.db2.gz CEJHQXJNVXBZGW-AWEZNQCLSA-N -1 3 417.427 5.416 50 10 HKCAHM [O-]c1ccccc1[C@@H]1CC(c2cccs2)=N[C@@H](c2ccc(Br)cc2)N1 ZINC000020763478 568642770 /nfs/dbraw/zinc/64/27/70/568642770.db2.gz RUVSDLFTMKWXDI-JXFKEZNVSA-N -1 3 413.340 5.439 50 10 HKCAHM [O-]c1ccccc1[C@H]1CC(c2cccs2)=N[C@@H](c2ccc(Br)cc2)N1 ZINC000020763483 568642720 /nfs/dbraw/zinc/64/27/20/568642720.db2.gz RUVSDLFTMKWXDI-UZLBHIALSA-N -1 3 413.340 5.439 50 10 HKCAHM [O-]c1ccccc1[C@@H]1CC(c2cccs2)=N[C@H](c2ccc(Br)cc2)N1 ZINC000020763488 568642648 /nfs/dbraw/zinc/64/26/48/568642648.db2.gz RUVSDLFTMKWXDI-OXJNMPFZSA-N -1 3 413.340 5.439 50 10 HKCAHM [O-]c1ccccc1[C@H]1CC(c2cccs2)=N[C@H](c2ccc(Br)cc2)N1 ZINC000020763493 568642612 /nfs/dbraw/zinc/64/26/12/568642612.db2.gz RUVSDLFTMKWXDI-OXQOHEQNSA-N -1 3 413.340 5.439 50 10 HKCAHM [O-]c1ccccc1[C@@H]1CC(c2cccs2)=N[C@@H](c2cccc(Br)c2)N1 ZINC000020763823 568642898 /nfs/dbraw/zinc/64/28/98/568642898.db2.gz KRHHVDRHIPGCBO-JXFKEZNVSA-N -1 3 413.340 5.439 50 10 HKCAHM [O-]c1ccccc1[C@H]1CC(c2cccs2)=N[C@@H](c2cccc(Br)c2)N1 ZINC000020763828 568642906 /nfs/dbraw/zinc/64/29/06/568642906.db2.gz KRHHVDRHIPGCBO-UZLBHIALSA-N -1 3 413.340 5.439 50 10 HKCAHM [O-]c1ccccc1[C@@H]1CC(c2cccs2)=N[C@H](c2cccc(Br)c2)N1 ZINC000020763832 568642934 /nfs/dbraw/zinc/64/29/34/568642934.db2.gz KRHHVDRHIPGCBO-OXJNMPFZSA-N -1 3 413.340 5.439 50 10 HKCAHM [O-]c1ccccc1[C@H]1CC(c2cccs2)=N[C@H](c2cccc(Br)c2)N1 ZINC000020763836 568642892 /nfs/dbraw/zinc/64/28/92/568642892.db2.gz KRHHVDRHIPGCBO-OXQOHEQNSA-N -1 3 413.340 5.439 50 10 HKCAHM COc1ccc(C2=N[C@@H](c3ccccc3F)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000020764545 568642956 /nfs/dbraw/zinc/64/29/56/568642956.db2.gz KFXUAGFVRDWBHE-FYYLOGMGSA-N -1 3 410.876 5.416 50 10 HKCAHM COc1ccc(C2=N[C@H](c3ccccc3F)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000020764549 568642987 /nfs/dbraw/zinc/64/29/87/568642987.db2.gz KFXUAGFVRDWBHE-GGAORHGYSA-N -1 3 410.876 5.416 50 10 HKCAHM COc1ccc(C2=N[C@@H](c3ccccc3F)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000020764553 568642915 /nfs/dbraw/zinc/64/29/15/568642915.db2.gz KFXUAGFVRDWBHE-JTHBVZDNSA-N -1 3 410.876 5.416 50 10 HKCAHM COc1ccc(C2=N[C@H](c3ccccc3F)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000020764556 568642959 /nfs/dbraw/zinc/64/29/59/568642959.db2.gz KFXUAGFVRDWBHE-GMAHTHKFSA-N -1 3 410.876 5.416 50 10 HKCAHM CCOc1ccc(C2=N[C@@H](c3ccccc3F)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000020764636 568642967 /nfs/dbraw/zinc/64/29/67/568642967.db2.gz QYYUDNNKBVTBBK-ISKFKSNPSA-N -1 3 424.903 5.806 50 10 HKCAHM CCOc1ccc(C2=N[C@H](c3ccccc3F)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000020764640 568643047 /nfs/dbraw/zinc/64/30/47/568643047.db2.gz QYYUDNNKBVTBBK-VWNXMTODSA-N -1 3 424.903 5.806 50 10 HKCAHM CCOc1ccc(C2=N[C@@H](c3ccccc3F)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000020764644 568642926 /nfs/dbraw/zinc/64/29/26/568642926.db2.gz QYYUDNNKBVTBBK-LADGPHEKSA-N -1 3 424.903 5.806 50 10 HKCAHM CCOc1ccc(C2=N[C@H](c3ccccc3F)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000020764648 568643054 /nfs/dbraw/zinc/64/30/54/568643054.db2.gz QYYUDNNKBVTBBK-UPVQGACJSA-N -1 3 424.903 5.806 50 10 HKCAHM CCc1ccc(C2=N[C@@H](c3ccccc3F)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000020764792 568643009 /nfs/dbraw/zinc/64/30/09/568643009.db2.gz MBOOVQLMKIVTJS-ISKFKSNPSA-N -1 3 408.904 5.970 50 10 HKCAHM CCc1ccc(C2=N[C@H](c3ccccc3F)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000020764796 568642931 /nfs/dbraw/zinc/64/29/31/568642931.db2.gz MBOOVQLMKIVTJS-VWNXMTODSA-N -1 3 408.904 5.970 50 10 HKCAHM CCc1ccc(C2=N[C@@H](c3ccccc3F)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000020764800 568643058 /nfs/dbraw/zinc/64/30/58/568643058.db2.gz MBOOVQLMKIVTJS-LADGPHEKSA-N -1 3 408.904 5.970 50 10 HKCAHM CCc1ccc(C2=N[C@H](c3ccccc3F)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000020764804 568642971 /nfs/dbraw/zinc/64/29/71/568642971.db2.gz MBOOVQLMKIVTJS-UPVQGACJSA-N -1 3 408.904 5.970 50 10 HKCAHM COc1ccc(C2=N[C@@H](c3c(F)cccc3Cl)N[C@@H](c3ccccc3[O-])C2)cc1 ZINC000020765053 568642947 /nfs/dbraw/zinc/64/29/47/568642947.db2.gz PTHTVBWAAXPKKT-NFBKMPQASA-N -1 3 410.876 5.416 50 10 HKCAHM COc1ccc(C2=N[C@H](c3c(F)cccc3Cl)N[C@@H](c3ccccc3[O-])C2)cc1 ZINC000020765057 568642902 /nfs/dbraw/zinc/64/29/02/568642902.db2.gz PTHTVBWAAXPKKT-OFNKIYASSA-N -1 3 410.876 5.416 50 10 HKCAHM COc1ccc(C2=N[C@@H](c3c(F)cccc3Cl)N[C@H](c3ccccc3[O-])C2)cc1 ZINC000020765061 568642922 /nfs/dbraw/zinc/64/29/22/568642922.db2.gz PTHTVBWAAXPKKT-NZQKXSOJSA-N -1 3 410.876 5.416 50 10 HKCAHM COc1ccc(C2=N[C@H](c3c(F)cccc3Cl)N[C@H](c3ccccc3[O-])C2)cc1 ZINC000020765065 568643344 /nfs/dbraw/zinc/64/33/44/568643344.db2.gz PTHTVBWAAXPKKT-REWPJTCUSA-N -1 3 410.876 5.416 50 10 HKCAHM [O-]c1c([C@H](c2ccc(Cl)cc2Cl)N2CCCC2)cc(Cl)c2cccnc12 ZINC000021548844 558441433 /nfs/dbraw/zinc/44/14/33/558441433.db2.gz MOGKPFGPMXIXNU-IBGZPJMESA-N -1 3 407.728 6.086 50 10 HKCAHM [O-]c1c([C@@H](c2ccc(Cl)cc2Cl)N2CCCC2)cc(Cl)c2cccnc12 ZINC000021548845 558441344 /nfs/dbraw/zinc/44/13/44/558441344.db2.gz MOGKPFGPMXIXNU-LJQANCHMSA-N -1 3 407.728 6.086 50 10 HKCAHM [O-]c1c([C@H](c2ccc(Br)cc2)N2CCCC2)cc(Cl)c2cccnc12 ZINC000021673443 558445525 /nfs/dbraw/zinc/44/55/25/558445525.db2.gz YALZROWWBROHGY-IBGZPJMESA-N -1 3 417.734 5.542 50 10 HKCAHM [O-]c1c([C@@H](c2ccc(Br)cc2)N2CCCC2)cc(Cl)c2cccnc12 ZINC000021673446 558445729 /nfs/dbraw/zinc/44/57/29/558445729.db2.gz YALZROWWBROHGY-LJQANCHMSA-N -1 3 417.734 5.542 50 10 HKCAHM CCCOC(=O)c1ccc(N[C@@H](c2ccccn2)c2ccc3cccnc3c2[O-])cc1 ZINC000021729030 568751962 /nfs/dbraw/zinc/75/19/62/568751962.db2.gz PJZIQKWXWYGRDI-HSZRJFAPSA-N -1 3 413.477 5.104 50 10 HKCAHM CCCOC(=O)c1ccc(N[C@H](c2ccccn2)c2ccc3cccnc3c2[O-])cc1 ZINC000021729034 568751887 /nfs/dbraw/zinc/75/18/87/568751887.db2.gz PJZIQKWXWYGRDI-QHCPKHFHSA-N -1 3 413.477 5.104 50 10 HKCAHM CCCOC(=O)c1ccc(N[C@@H](c2cccnc2)c2ccc3cccnc3c2[O-])cc1 ZINC000021729037 568751881 /nfs/dbraw/zinc/75/18/81/568751881.db2.gz MMZPFGHCJRHRIF-QFIPXVFZSA-N -1 3 413.477 5.104 50 10 HKCAHM CCCOC(=O)c1ccc(N[C@H](c2cccnc2)c2ccc3cccnc3c2[O-])cc1 ZINC000021729041 568751827 /nfs/dbraw/zinc/75/18/27/568751827.db2.gz MMZPFGHCJRHRIF-JOCHJYFZSA-N -1 3 413.477 5.104 50 10 HKCAHM O=C1/C(=C/c2ccc(Br)cc2)C=C(c2ccccc2)N1c1ccccc1[O-] ZINC000027519475 569328119 /nfs/dbraw/zinc/32/81/19/569328119.db2.gz CJOVWWBJTBBBSU-NBVRZTHBSA-N -1 3 418.290 5.626 50 10 HKCAHM Cc1oc2c(ccc([O-])c2CNCc2ccc(Cl)cc2)c(=O)c1-c1ccc(F)cc1 ZINC000032501387 526779469 /nfs/dbraw/zinc/77/94/69/526779469.db2.gz ZUIJDQCSMSDCQH-UHFFFAOYSA-N -1 3 423.871 5.556 50 10 HKCAHM COc1ccc(CNC(=O)N[C@@H](c2ccccc2)c2c([O-])ccc3ccccc32)cc1 ZINC000032801853 524060550 /nfs/dbraw/zinc/06/05/50/524060550.db2.gz CACYHUIOXCICKM-VWLOTQADSA-N -1 3 412.489 5.143 50 10 HKCAHM COc1ccc(CNC(=O)N[C@H](c2ccccc2)c2c([O-])ccc3ccccc32)cc1 ZINC000032801855 524061468 /nfs/dbraw/zinc/06/14/68/524061468.db2.gz CACYHUIOXCICKM-RUZDIDTESA-N -1 3 412.489 5.143 50 10 HKCAHM Cc1oc2c(ccc([O-])c2CN2CCC[C@@H]2c2cccs2)c(=O)c1-c1ccccc1 ZINC000032855936 526779538 /nfs/dbraw/zinc/77/95/38/526779538.db2.gz TVOOHLIKFMUKMQ-HXUWFJFHSA-N -1 3 417.530 5.873 50 10 HKCAHM Cc1oc2c(ccc([O-])c2CN2CCC[C@H]2c2cccs2)c(=O)c1-c1ccccc1 ZINC000032855937 526779164 /nfs/dbraw/zinc/77/91/64/526779164.db2.gz TVOOHLIKFMUKMQ-FQEVSTJZSA-N -1 3 417.530 5.873 50 10 HKCAHM COC(=O)[C@@]1(/N=N/c2cc(-c3ccccc3)c([O-])c(-c3ccccc3)c2)CCCC1=O ZINC000033354007 559067322 /nfs/dbraw/zinc/06/73/22/559067322.db2.gz FGXYBZXULAIHKO-SAPGLNIQSA-N -1 3 414.461 5.475 50 10 HKCAHM COC(=O)[C@]1(/N=N/c2cc(-c3ccccc3)c([O-])c(-c3ccccc3)c2)CCCC1=O ZINC000033354012 559067364 /nfs/dbraw/zinc/06/73/64/559067364.db2.gz FGXYBZXULAIHKO-YNIWUXQGSA-N -1 3 414.461 5.475 50 10 HKCAHM COc1cccc2c1O[C@@H](c1cccc(O)c1)N1N=C(c3cc(Cl)ccc3[O-])C[C@H]21 ZINC000036059969 569085103 /nfs/dbraw/zinc/08/51/03/569085103.db2.gz SULFABMBIPMFDQ-XXBNENTESA-N -1 3 422.868 5.002 50 10 HKCAHM COc1cccc2c1O[C@@H](c1ccc(O)cc1)N1N=C(c3cc(Cl)ccc3[O-])C[C@H]21 ZINC000036059970 569085125 /nfs/dbraw/zinc/08/51/25/569085125.db2.gz LPGAGUCQEXUGTO-XXBNENTESA-N -1 3 422.868 5.002 50 10 HKCAHM [O-]c1ccc(Cl)cc1CN1CCCn2cccc2[C@H]1c1cccc(C(F)(F)F)c1 ZINC000037522271 558805593 /nfs/dbraw/zinc/80/55/93/558805593.db2.gz ITDGEYXIJAACIY-OAQYLSRUSA-N -1 3 420.862 5.861 50 10 HKCAHM [O-]c1ccc(Cl)cc1CN1CCCn2cccc2[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000037522272 558805598 /nfs/dbraw/zinc/80/55/98/558805598.db2.gz ITDGEYXIJAACIY-NRFANRHFSA-N -1 3 420.862 5.861 50 10 HKCAHM CCCCC(=O)N[C@@H](c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1[O-] ZINC000037868756 558809539 /nfs/dbraw/zinc/80/95/39/558809539.db2.gz RBZNNYFJAHVKOM-FQEVSTJZSA-N -1 3 403.309 5.643 50 10 HKCAHM CCCCC(=O)N[C@H](c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1[O-] ZINC000037868757 558809466 /nfs/dbraw/zinc/80/94/66/558809466.db2.gz RBZNNYFJAHVKOM-HXUWFJFHSA-N -1 3 403.309 5.643 50 10 HKCAHM [O-]c1c([C@H](Nc2ncccc2O)c2ccc(Br)cc2)ccc2cccnc12 ZINC000049564998 568452216 /nfs/dbraw/zinc/45/22/16/568452216.db2.gz DHWYBHIHZZDTBZ-GOSISDBHSA-N -1 3 422.282 5.005 50 10 HKCAHM [O-]c1c([C@@H](Nc2ncccc2O)c2ccc(Br)cc2)ccc2cccnc12 ZINC000049565000 568452167 /nfs/dbraw/zinc/45/21/67/568452167.db2.gz DHWYBHIHZZDTBZ-SFHVURJKSA-N -1 3 422.282 5.005 50 10 HKCAHM Cc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000053362848 569027466 /nfs/dbraw/zinc/02/74/66/569027466.db2.gz KQQKEJJUJBXMPM-FYYLOGMGSA-N -1 3 411.332 6.230 50 10 HKCAHM Cc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000053362849 569027444 /nfs/dbraw/zinc/02/74/44/569027444.db2.gz KQQKEJJUJBXMPM-JTHBVZDNSA-N -1 3 411.332 6.230 50 10 HKCAHM Cc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000053362851 569027437 /nfs/dbraw/zinc/02/74/37/569027437.db2.gz KQQKEJJUJBXMPM-GGAORHGYSA-N -1 3 411.332 6.230 50 10 HKCAHM Cc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000053362853 569027450 /nfs/dbraw/zinc/02/74/50/569027450.db2.gz KQQKEJJUJBXMPM-GMAHTHKFSA-N -1 3 411.332 6.230 50 10 HKCAHM COc1ccc(C2=N[C@@H](c3ccc(C)cc3)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000053362898 569027458 /nfs/dbraw/zinc/02/74/58/569027458.db2.gz STXRYWYIMMCUAU-ISKFKSNPSA-N -1 3 406.913 5.585 50 10 HKCAHM COc1ccc(C2=N[C@H](c3ccc(C)cc3)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000053362900 569027461 /nfs/dbraw/zinc/02/74/61/569027461.db2.gz STXRYWYIMMCUAU-VWNXMTODSA-N -1 3 406.913 5.585 50 10 HKCAHM COc1ccc(C2=N[C@@H](c3ccc(C)cc3)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000053362903 569027464 /nfs/dbraw/zinc/02/74/64/569027464.db2.gz STXRYWYIMMCUAU-LADGPHEKSA-N -1 3 406.913 5.585 50 10 HKCAHM COc1ccc(C2=N[C@H](c3ccc(C)cc3)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000053362906 569027470 /nfs/dbraw/zinc/02/74/70/569027470.db2.gz STXRYWYIMMCUAU-UPVQGACJSA-N -1 3 406.913 5.585 50 10 HKCAHM COc1ccc(C2=N[C@@H](c3ccc(OC)cc3)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000053362908 569027490 /nfs/dbraw/zinc/02/74/90/569027490.db2.gz UELUDUHRLBGDFP-ISKFKSNPSA-N -1 3 422.912 5.285 50 10 HKCAHM COc1ccc(C2=N[C@H](c3ccc(OC)cc3)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000053362911 569027484 /nfs/dbraw/zinc/02/74/84/569027484.db2.gz UELUDUHRLBGDFP-VWNXMTODSA-N -1 3 422.912 5.285 50 10 HKCAHM COc1ccc(C2=N[C@@H](c3ccc(OC)cc3)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000053362913 569027493 /nfs/dbraw/zinc/02/74/93/569027493.db2.gz UELUDUHRLBGDFP-LADGPHEKSA-N -1 3 422.912 5.285 50 10 HKCAHM COc1ccc(C2=N[C@H](c3ccc(OC)cc3)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000053362914 569027440 /nfs/dbraw/zinc/02/74/40/569027440.db2.gz UELUDUHRLBGDFP-UPVQGACJSA-N -1 3 422.912 5.285 50 10 HKCAHM COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@@H](c3ccccc3[O-])C2)cc1OC ZINC000053363056 569027503 /nfs/dbraw/zinc/02/75/03/569027503.db2.gz QNWYVDPTFQSGQG-HYBUGGRVSA-N -1 3 422.912 5.285 50 10 HKCAHM COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@H](c3ccccc3[O-])C2)cc1OC ZINC000053363058 569027588 /nfs/dbraw/zinc/02/75/88/569027588.db2.gz QNWYVDPTFQSGQG-GBXCKJPGSA-N -1 3 422.912 5.285 50 10 HKCAHM COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@@H](c3ccccc3[O-])C2)cc1OC ZINC000053363059 569027507 /nfs/dbraw/zinc/02/75/07/569027507.db2.gz QNWYVDPTFQSGQG-YKSBVNFPSA-N -1 3 422.912 5.285 50 10 HKCAHM COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@H](c3ccccc3[O-])C2)cc1OC ZINC000053363062 569027545 /nfs/dbraw/zinc/02/75/45/569027545.db2.gz QNWYVDPTFQSGQG-RDPSFJRHSA-N -1 3 422.912 5.285 50 10 HKCAHM CCOc1ccc(C2=N[C@@H](c3ccc(OC)cc3)N[C@@H](c3ccccc3[O-])C2)cc1 ZINC000053363078 569027553 /nfs/dbraw/zinc/02/75/53/569027553.db2.gz QOASSDIYKPBDQY-ILBGXUMGSA-N -1 3 402.494 5.022 50 10 HKCAHM CCOc1ccc(C2=N[C@@H](c3ccc(OC)cc3)N[C@H](c3ccccc3[O-])C2)cc1 ZINC000053363080 569027575 /nfs/dbraw/zinc/02/75/75/569027575.db2.gz QOASSDIYKPBDQY-UKILVPOCSA-N -1 3 402.494 5.022 50 10 HKCAHM CCOc1ccc(C2=N[C@H](c3ccc(OC)cc3)N[C@@H](c3ccccc3[O-])C2)cc1 ZINC000053363081 569027566 /nfs/dbraw/zinc/02/75/66/569027566.db2.gz QOASSDIYKPBDQY-NOZRDPDXSA-N -1 3 402.494 5.022 50 10 HKCAHM CCOc1ccc(C2=N[C@H](c3ccc(OC)cc3)N[C@H](c3ccccc3[O-])C2)cc1 ZINC000053363083 569027534 /nfs/dbraw/zinc/02/75/34/569027534.db2.gz QOASSDIYKPBDQY-ZCYQVOJMSA-N -1 3 402.494 5.022 50 10 HKCAHM CCOc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@@H](c3ccccc3[O-])C2)cc1 ZINC000053363084 569027559 /nfs/dbraw/zinc/02/75/59/569027559.db2.gz HIMNHFKOCICJON-ISKFKSNPSA-N -1 3 406.913 5.667 50 10 HKCAHM CCOc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@H](c3ccccc3[O-])C2)cc1 ZINC000053363086 569027511 /nfs/dbraw/zinc/02/75/11/569027511.db2.gz HIMNHFKOCICJON-LADGPHEKSA-N -1 3 406.913 5.667 50 10 HKCAHM CCOc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@@H](c3ccccc3[O-])C2)cc1 ZINC000053363088 569027505 /nfs/dbraw/zinc/02/75/05/569027505.db2.gz HIMNHFKOCICJON-VWNXMTODSA-N -1 3 406.913 5.667 50 10 HKCAHM CCOc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@H](c3ccccc3[O-])C2)cc1 ZINC000053363090 569027549 /nfs/dbraw/zinc/02/75/49/569027549.db2.gz HIMNHFKOCICJON-UPVQGACJSA-N -1 3 406.913 5.667 50 10 HKCAHM CCOc1ccc(C2=N[C@@H](c3ccccc3OC)N[C@@H](c3ccccc3[O-])C2)cc1 ZINC000053363120 569027515 /nfs/dbraw/zinc/02/75/15/569027515.db2.gz LRJGRPNDSGZUHH-RCZVLFRGSA-N -1 3 402.494 5.022 50 10 HKCAHM CCOc1ccc(C2=N[C@@H](c3ccccc3OC)N[C@H](c3ccccc3[O-])C2)cc1 ZINC000053363122 569027579 /nfs/dbraw/zinc/02/75/79/569027579.db2.gz LRJGRPNDSGZUHH-WIOPSUGQSA-N -1 3 402.494 5.022 50 10 HKCAHM CCOc1ccc(C2=N[C@H](c3ccccc3OC)N[C@@H](c3ccccc3[O-])C2)cc1 ZINC000053363123 569027527 /nfs/dbraw/zinc/02/75/27/569027527.db2.gz LRJGRPNDSGZUHH-RDGATRHJSA-N -1 3 402.494 5.022 50 10 HKCAHM CCOc1ccc(C2=N[C@H](c3ccccc3OC)N[C@H](c3ccccc3[O-])C2)cc1 ZINC000053363126 569027551 /nfs/dbraw/zinc/02/75/51/569027551.db2.gz LRJGRPNDSGZUHH-DHLKQENFSA-N -1 3 402.494 5.022 50 10 HKCAHM CCOc1ccc(C2=N[C@@H](c3ccc(F)cc3)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000053363155 569027561 /nfs/dbraw/zinc/02/75/61/569027561.db2.gz TVLOMLSHPIIMCD-ISKFKSNPSA-N -1 3 424.903 5.806 50 10 HKCAHM CCOc1ccc(C2=N[C@@H](c3ccc(F)cc3)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000053363156 569027584 /nfs/dbraw/zinc/02/75/84/569027584.db2.gz TVLOMLSHPIIMCD-LADGPHEKSA-N -1 3 424.903 5.806 50 10 HKCAHM CCOc1ccc(C2=N[C@H](c3ccc(F)cc3)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000053363158 569027563 /nfs/dbraw/zinc/02/75/63/569027563.db2.gz TVLOMLSHPIIMCD-VWNXMTODSA-N -1 3 424.903 5.806 50 10 HKCAHM CCOc1ccc(C2=N[C@H](c3ccc(F)cc3)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000053363160 569027529 /nfs/dbraw/zinc/02/75/29/569027529.db2.gz TVLOMLSHPIIMCD-UPVQGACJSA-N -1 3 424.903 5.806 50 10 HKCAHM CCc1ccc(C2=N[C@@H](c3ccc(OC)cc3)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000053363163 569027543 /nfs/dbraw/zinc/02/75/43/569027543.db2.gz FXQOWOXUZXYGTJ-ILBGXUMGSA-N -1 3 420.940 5.839 50 10 HKCAHM CCc1ccc(C2=N[C@@H](c3ccc(OC)cc3)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000053363165 569027577 /nfs/dbraw/zinc/02/75/77/569027577.db2.gz FXQOWOXUZXYGTJ-UKILVPOCSA-N -1 3 420.940 5.839 50 10 HKCAHM CCc1ccc(C2=N[C@H](c3ccc(OC)cc3)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000053363167 569027538 /nfs/dbraw/zinc/02/75/38/569027538.db2.gz FXQOWOXUZXYGTJ-NOZRDPDXSA-N -1 3 420.940 5.839 50 10 HKCAHM CCc1ccc(C2=N[C@H](c3ccc(OC)cc3)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000053363169 569027536 /nfs/dbraw/zinc/02/75/36/569027536.db2.gz FXQOWOXUZXYGTJ-ZCYQVOJMSA-N -1 3 420.940 5.839 50 10 HKCAHM CCc1ccc(C2=N[C@H](c3ccccc3OC)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000053363219 569027509 /nfs/dbraw/zinc/02/75/09/569027509.db2.gz CEIZJVZHYXWUKT-RDGATRHJSA-N -1 3 420.940 5.839 50 10 HKCAHM CCc1ccc(C2=N[C@@H](c3ccc(F)cc3)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000053363228 569027523 /nfs/dbraw/zinc/02/75/23/569027523.db2.gz ZWQPOXZWJIXIDQ-ISKFKSNPSA-N -1 3 408.904 5.970 50 10 HKCAHM CCc1ccc(C2=N[C@@H](c3ccc(F)cc3)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000053363230 569027571 /nfs/dbraw/zinc/02/75/71/569027571.db2.gz ZWQPOXZWJIXIDQ-LADGPHEKSA-N -1 3 408.904 5.970 50 10 HKCAHM CCc1ccc(C2=N[C@H](c3ccc(F)cc3)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000053363232 569027586 /nfs/dbraw/zinc/02/75/86/569027586.db2.gz ZWQPOXZWJIXIDQ-VWNXMTODSA-N -1 3 408.904 5.970 50 10 HKCAHM CCc1ccc(C2=N[C@H](c3ccc(F)cc3)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000053363234 569027531 /nfs/dbraw/zinc/02/75/31/569027531.db2.gz ZWQPOXZWJIXIDQ-UPVQGACJSA-N -1 3 408.904 5.970 50 10 HKCAHM COc1cccc(C2=N[C@@H](c3ccc(C)cc3)N[C@@H](c3cc(Cl)ccc3[O-])C2)c1 ZINC000053363305 569027513 /nfs/dbraw/zinc/02/75/13/569027513.db2.gz FLBNVKNJODTHLM-ISKFKSNPSA-N -1 3 406.913 5.585 50 10 HKCAHM COc1cccc(C2=N[C@H](c3ccc(C)cc3)N[C@@H](c3cc(Cl)ccc3[O-])C2)c1 ZINC000053363307 569027541 /nfs/dbraw/zinc/02/75/41/569027541.db2.gz FLBNVKNJODTHLM-VWNXMTODSA-N -1 3 406.913 5.585 50 10 HKCAHM COc1cccc(C2=N[C@@H](c3ccc(C)cc3)N[C@H](c3cc(Cl)ccc3[O-])C2)c1 ZINC000053363309 569027557 /nfs/dbraw/zinc/02/75/57/569027557.db2.gz FLBNVKNJODTHLM-LADGPHEKSA-N -1 3 406.913 5.585 50 10 HKCAHM COc1cccc(C2=N[C@H](c3ccc(C)cc3)N[C@H](c3cc(Cl)ccc3[O-])C2)c1 ZINC000053363311 569027555 /nfs/dbraw/zinc/02/75/55/569027555.db2.gz FLBNVKNJODTHLM-UPVQGACJSA-N -1 3 406.913 5.585 50 10 HKCAHM COc1cccc(C2=N[C@@H](c3ccccc3OC)N[C@@H](c3cc(Cl)ccc3[O-])C2)c1 ZINC000053363362 569027519 /nfs/dbraw/zinc/02/75/19/569027519.db2.gz HDMHDSOWALSSLN-ZJSXRUAMSA-N -1 3 422.912 5.285 50 10 HKCAHM COc1cccc(C2=N[C@@H](c3ccccc3OC)N[C@H](c3cc(Cl)ccc3[O-])C2)c1 ZINC000053363364 569027619 /nfs/dbraw/zinc/02/76/19/569027619.db2.gz HDMHDSOWALSSLN-XUZZJYLKSA-N -1 3 422.912 5.285 50 10 HKCAHM COc1cccc(C2=N[C@H](c3ccccc3OC)N[C@@H](c3cc(Cl)ccc3[O-])C2)c1 ZINC000053363365 569027592 /nfs/dbraw/zinc/02/75/92/569027592.db2.gz HDMHDSOWALSSLN-QPPBQGQZSA-N -1 3 422.912 5.285 50 10 HKCAHM COc1cccc(C2=N[C@H](c3ccccc3OC)N[C@H](c3cc(Cl)ccc3[O-])C2)c1 ZINC000053363367 569027612 /nfs/dbraw/zinc/02/76/12/569027612.db2.gz HDMHDSOWALSSLN-URXFXBBRSA-N -1 3 422.912 5.285 50 10 HKCAHM Cc1ccc([C@@H]2N=C(c3cccc(Br)c3)C[C@H](c3ccccc3[O-])N2)cc1 ZINC000053363383 569027624 /nfs/dbraw/zinc/02/76/24/569027624.db2.gz MPFWYIHVDCGBSF-FYYLOGMGSA-N -1 3 421.338 5.686 50 10 HKCAHM Cc1ccc([C@H]2N=C(c3cccc(Br)c3)C[C@H](c3ccccc3[O-])N2)cc1 ZINC000053363386 569027614 /nfs/dbraw/zinc/02/76/14/569027614.db2.gz MPFWYIHVDCGBSF-GGAORHGYSA-N -1 3 421.338 5.686 50 10 HKCAHM Cc1ccc([C@@H]2N=C(c3cccc(Br)c3)C[C@@H](c3ccccc3[O-])N2)cc1 ZINC000053363388 569027629 /nfs/dbraw/zinc/02/76/29/569027629.db2.gz MPFWYIHVDCGBSF-JTHBVZDNSA-N -1 3 421.338 5.686 50 10 HKCAHM Cc1ccc([C@H]2N=C(c3cccc(Br)c3)C[C@@H](c3ccccc3[O-])N2)cc1 ZINC000053363389 569027622 /nfs/dbraw/zinc/02/76/22/569027622.db2.gz MPFWYIHVDCGBSF-GMAHTHKFSA-N -1 3 421.338 5.686 50 10 HKCAHM COC(=O)c1ccc([C@@H]2N=C(c3ccc(Cl)cc3)C[C@H](c3ccccc3[O-])N2)cc1 ZINC000053363489 569027599 /nfs/dbraw/zinc/02/75/99/569027599.db2.gz WZROKTLVDKWJCX-FYYLOGMGSA-N -1 3 420.896 5.055 50 10 HKCAHM COC(=O)c1ccc([C@H]2N=C(c3ccc(Cl)cc3)C[C@H](c3ccccc3[O-])N2)cc1 ZINC000053363491 569027649 /nfs/dbraw/zinc/02/76/49/569027649.db2.gz WZROKTLVDKWJCX-GGAORHGYSA-N -1 3 420.896 5.055 50 10 HKCAHM COC(=O)c1ccc([C@@H]2N=C(c3ccc(Cl)cc3)C[C@@H](c3ccccc3[O-])N2)cc1 ZINC000053363492 569027638 /nfs/dbraw/zinc/02/76/38/569027638.db2.gz WZROKTLVDKWJCX-JTHBVZDNSA-N -1 3 420.896 5.055 50 10 HKCAHM COC(=O)c1ccc([C@H]2N=C(c3ccc(Cl)cc3)C[C@@H](c3ccccc3[O-])N2)cc1 ZINC000053363494 569027651 /nfs/dbraw/zinc/02/76/51/569027651.db2.gz WZROKTLVDKWJCX-GMAHTHKFSA-N -1 3 420.896 5.055 50 10 HKCAHM CCc1ccc(C2=N[C@@H](c3ccc(C)cc3)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000053363525 569027626 /nfs/dbraw/zinc/02/76/26/569027626.db2.gz OZLHEDSIVWQAMT-ILBGXUMGSA-N -1 3 404.941 6.139 50 10 HKCAHM CCc1ccc(C2=N[C@@H](c3ccc(C)cc3)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000053363527 569027640 /nfs/dbraw/zinc/02/76/40/569027640.db2.gz OZLHEDSIVWQAMT-UKILVPOCSA-N -1 3 404.941 6.139 50 10 HKCAHM CCc1ccc(C2=N[C@H](c3ccc(C)cc3)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000053363529 569027597 /nfs/dbraw/zinc/02/75/97/569027597.db2.gz OZLHEDSIVWQAMT-NOZRDPDXSA-N -1 3 404.941 6.139 50 10 HKCAHM CCc1ccc(C2=N[C@H](c3ccc(C)cc3)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000053363531 569027656 /nfs/dbraw/zinc/02/76/56/569027656.db2.gz OZLHEDSIVWQAMT-ZCYQVOJMSA-N -1 3 404.941 6.139 50 10 HKCAHM COc1ccc(C2=N[C@@H](c3cccc(F)c3)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000053364376 569027697 /nfs/dbraw/zinc/02/76/97/569027697.db2.gz VINNVBUTIYRXRR-FYYLOGMGSA-N -1 3 410.876 5.416 50 10 HKCAHM COc1ccc(C2=N[C@@H](c3cccc(F)c3)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000053364378 569027724 /nfs/dbraw/zinc/02/77/24/569027724.db2.gz VINNVBUTIYRXRR-JTHBVZDNSA-N -1 3 410.876 5.416 50 10 HKCAHM COc1ccc(C2=N[C@H](c3cccc(F)c3)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000053364381 569027674 /nfs/dbraw/zinc/02/76/74/569027674.db2.gz VINNVBUTIYRXRR-GGAORHGYSA-N -1 3 410.876 5.416 50 10 HKCAHM COc1ccc(C2=N[C@H](c3cccc(F)c3)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000053364384 569027670 /nfs/dbraw/zinc/02/76/70/569027670.db2.gz VINNVBUTIYRXRR-GMAHTHKFSA-N -1 3 410.876 5.416 50 10 HKCAHM CCOc1ccc(C2=N[C@@H](c3cccc(F)c3)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000053364401 569027676 /nfs/dbraw/zinc/02/76/76/569027676.db2.gz VTSDQDUDNJIKOD-ISKFKSNPSA-N -1 3 424.903 5.806 50 10 HKCAHM CCOc1ccc(C2=N[C@@H](c3cccc(F)c3)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000053364405 569027712 /nfs/dbraw/zinc/02/77/12/569027712.db2.gz VTSDQDUDNJIKOD-LADGPHEKSA-N -1 3 424.903 5.806 50 10 HKCAHM CCOc1ccc(C2=N[C@H](c3cccc(F)c3)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000053364408 569027707 /nfs/dbraw/zinc/02/77/07/569027707.db2.gz VTSDQDUDNJIKOD-VWNXMTODSA-N -1 3 424.903 5.806 50 10 HKCAHM CCOc1ccc(C2=N[C@H](c3cccc(F)c3)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000053364412 569027691 /nfs/dbraw/zinc/02/76/91/569027691.db2.gz VTSDQDUDNJIKOD-UPVQGACJSA-N -1 3 424.903 5.806 50 10 HKCAHM CCc1ccc(C2=N[C@@H](c3cccc(F)c3)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000053364498 569027687 /nfs/dbraw/zinc/02/76/87/569027687.db2.gz JVHHTTBVXCQRQA-ISKFKSNPSA-N -1 3 408.904 5.970 50 10 HKCAHM CCc1ccc(C2=N[C@@H](c3cccc(F)c3)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000053364502 569027668 /nfs/dbraw/zinc/02/76/68/569027668.db2.gz JVHHTTBVXCQRQA-LADGPHEKSA-N -1 3 408.904 5.970 50 10 HKCAHM CCc1ccc(C2=N[C@H](c3cccc(F)c3)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000053364505 569027681 /nfs/dbraw/zinc/02/76/81/569027681.db2.gz JVHHTTBVXCQRQA-VWNXMTODSA-N -1 3 408.904 5.970 50 10 HKCAHM CCc1ccc(C2=N[C@H](c3cccc(F)c3)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000053364508 569027727 /nfs/dbraw/zinc/02/77/27/569027727.db2.gz JVHHTTBVXCQRQA-UPVQGACJSA-N -1 3 408.904 5.970 50 10 HKCAHM CCOc1ccccc1[C@@H]1N=C(c2ccc(OC)cc2)C[C@H](c2ccccc2[O-])N1 ZINC000053364837 569027729 /nfs/dbraw/zinc/02/77/29/569027729.db2.gz KZCJJZRQAGPNKE-RCZVLFRGSA-N -1 3 402.494 5.022 50 10 HKCAHM CCOc1ccccc1[C@H]1N=C(c2ccc(OC)cc2)C[C@H](c2ccccc2[O-])N1 ZINC000053364839 569027666 /nfs/dbraw/zinc/02/76/66/569027666.db2.gz KZCJJZRQAGPNKE-RDGATRHJSA-N -1 3 402.494 5.022 50 10 HKCAHM CCOc1ccccc1[C@@H]1N=C(c2ccc(OC)cc2)C[C@@H](c2ccccc2[O-])N1 ZINC000053364840 569027705 /nfs/dbraw/zinc/02/77/05/569027705.db2.gz KZCJJZRQAGPNKE-WIOPSUGQSA-N -1 3 402.494 5.022 50 10 HKCAHM CCOc1ccccc1[C@H]1N=C(c2ccc(OC)cc2)C[C@@H](c2ccccc2[O-])N1 ZINC000053364841 569027685 /nfs/dbraw/zinc/02/76/85/569027685.db2.gz KZCJJZRQAGPNKE-DHLKQENFSA-N -1 3 402.494 5.022 50 10 HKCAHM [O-]c1ccccc1[C@H]1CC(c2ccc3c(c2)OCO3)=N[C@@H](c2c(F)cccc2Cl)N1 ZINC000053364938 569027693 /nfs/dbraw/zinc/02/76/93/569027693.db2.gz NGNRASULLBIOSE-WZONZLPQSA-N -1 3 424.859 5.136 50 10 HKCAHM [O-]c1ccccc1[C@@H]1CC(c2ccc3c(c2)OCO3)=N[C@@H](c2c(F)cccc2Cl)N1 ZINC000053364939 569027736 /nfs/dbraw/zinc/02/77/36/569027736.db2.gz NGNRASULLBIOSE-FDDCHVKYSA-N -1 3 424.859 5.136 50 10 HKCAHM [O-]c1ccccc1[C@H]1CC(c2ccc3c(c2)OCO3)=N[C@H](c2c(F)cccc2Cl)N1 ZINC000053364941 569027714 /nfs/dbraw/zinc/02/77/14/569027714.db2.gz NGNRASULLBIOSE-JPYJTQIMSA-N -1 3 424.859 5.136 50 10 HKCAHM [O-]c1ccccc1[C@@H]1CC(c2ccc3c(c2)OCO3)=N[C@H](c2c(F)cccc2Cl)N1 ZINC000053364944 569027732 /nfs/dbraw/zinc/02/77/32/569027732.db2.gz NGNRASULLBIOSE-MBSDFSHPSA-N -1 3 424.859 5.136 50 10 HKCAHM CCN(CC)c1ccc([C@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2[O-])cc1 ZINC000057396358 558888300 /nfs/dbraw/zinc/88/83/00/558888300.db2.gz AKJYCLYHRZMBBN-DEOSSOPVSA-N -1 3 412.537 5.692 50 10 HKCAHM CCN(CC)c1ccc([C@@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2[O-])cc1 ZINC000057396361 558888268 /nfs/dbraw/zinc/88/82/68/558888268.db2.gz AKJYCLYHRZMBBN-XMMPIXPASA-N -1 3 412.537 5.692 50 10 HKCAHM COc1ccc(C2=N[C@H](c3sccc3C)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000058083383 568883826 /nfs/dbraw/zinc/88/38/26/568883826.db2.gz YZESUJWCQNNNMH-UGKGYDQZSA-N -1 3 412.942 5.647 50 10 HKCAHM COc1ccc(C2=N[C@@H](c3sccc3C)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000058083390 568883819 /nfs/dbraw/zinc/88/38/19/568883819.db2.gz YZESUJWCQNNNMH-SIKLNZKXSA-N -1 3 412.942 5.647 50 10 HKCAHM COc1ccc(C2=N[C@H](c3sccc3C)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000058083396 568883863 /nfs/dbraw/zinc/88/38/63/568883863.db2.gz YZESUJWCQNNNMH-KNQAVFIVSA-N -1 3 412.942 5.647 50 10 HKCAHM COc1ccc(C2=N[C@@H](c3sccc3C)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000058083403 568883880 /nfs/dbraw/zinc/88/38/80/568883880.db2.gz YZESUJWCQNNNMH-DENIHFKCSA-N -1 3 412.942 5.647 50 10 HKCAHM CCc1ccc(C2=N[C@H](c3ccccc3OC)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000058135986 568890259 /nfs/dbraw/zinc/89/02/59/568890259.db2.gz CEIZJVZHYXWUKT-DHLKQENFSA-N -1 3 420.940 5.839 50 10 HKCAHM CCc1ccc(C2=N[C@@H](c3ccccc3OC)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000058135992 568890267 /nfs/dbraw/zinc/89/02/67/568890267.db2.gz CEIZJVZHYXWUKT-WIOPSUGQSA-N -1 3 420.940 5.839 50 10 HKCAHM CCc1ccc(C2=N[C@@H](c3ccccc3OC)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1 ZINC000058136014 568890184 /nfs/dbraw/zinc/89/01/84/568890184.db2.gz CEIZJVZHYXWUKT-RCZVLFRGSA-N -1 3 420.940 5.839 50 10 HKCAHM CCc1ccc(C2=N[C@H](c3cc(OC)ccc3OC)N[C@H](c3ccccc3[O-])C2)cc1 ZINC000058138617 568890530 /nfs/dbraw/zinc/89/05/30/568890530.db2.gz WWZBAFOYOGTTSW-OZXSUGGESA-N -1 3 416.521 5.194 50 10 HKCAHM CCc1ccc(C2=N[C@@H](c3cc(OC)ccc3OC)N[C@H](c3ccccc3[O-])C2)cc1 ZINC000058138627 568890540 /nfs/dbraw/zinc/89/05/40/568890540.db2.gz WWZBAFOYOGTTSW-JYFHCDHNSA-N -1 3 416.521 5.194 50 10 HKCAHM CCc1ccc(C2=N[C@H](c3cc(OC)ccc3OC)N[C@@H](c3ccccc3[O-])C2)cc1 ZINC000058138631 568890520 /nfs/dbraw/zinc/89/05/20/568890520.db2.gz WWZBAFOYOGTTSW-BVAGGSTKSA-N -1 3 416.521 5.194 50 10 HKCAHM CCc1ccc(C2=N[C@@H](c3cc(OC)ccc3OC)N[C@@H](c3ccccc3[O-])C2)cc1 ZINC000058138641 568890596 /nfs/dbraw/zinc/89/05/96/568890596.db2.gz WWZBAFOYOGTTSW-ZEQKJWHPSA-N -1 3 416.521 5.194 50 10 HKCAHM CCOc1ccccc1[C@H]1N=C(c2ccc(CC)cc2)C[C@@H](c2ccccc2[O-])N1 ZINC000058138651 568890490 /nfs/dbraw/zinc/89/04/90/568890490.db2.gz RQINJMCSECHCFR-OZXSUGGESA-N -1 3 400.522 5.576 50 10 HKCAHM CCOc1ccccc1[C@@H]1N=C(c2ccc(CC)cc2)C[C@@H](c2ccccc2[O-])N1 ZINC000058138658 568890441 /nfs/dbraw/zinc/89/04/41/568890441.db2.gz RQINJMCSECHCFR-JYFHCDHNSA-N -1 3 400.522 5.576 50 10 HKCAHM CCOc1ccccc1[C@H]1N=C(c2ccc(CC)cc2)C[C@H](c2ccccc2[O-])N1 ZINC000058138663 568890499 /nfs/dbraw/zinc/89/04/99/568890499.db2.gz RQINJMCSECHCFR-BVAGGSTKSA-N -1 3 400.522 5.576 50 10 HKCAHM CCOc1ccccc1[C@@H]1N=C(c2ccc(CC)cc2)C[C@H](c2ccccc2[O-])N1 ZINC000058138675 568890475 /nfs/dbraw/zinc/89/04/75/568890475.db2.gz RQINJMCSECHCFR-ZEQKJWHPSA-N -1 3 400.522 5.576 50 10 HKCAHM Cc1ccc(Cl)cc1N1CCN(Cc2cc(Cl)c3ccccc3c2[O-])CC1 ZINC000058160387 558905081 /nfs/dbraw/zinc/90/50/81/558905081.db2.gz KNQCJBGOLVFZGZ-UHFFFAOYSA-N -1 3 401.337 5.483 50 10 HKCAHM Cc1cc2c(cc1C)c1nc3ccccc3[n-]c-1c(-c1cc(Cl)ccc1Cl)c2=O ZINC000067300080 571073615 /nfs/dbraw/zinc/07/36/15/571073615.db2.gz GIZCMBOQYDOUET-UHFFFAOYSA-N -1 3 419.311 7.232 50 10 HKCAHM [O-]c1ccc(Cl)cc1CN1CCC[C@@H](Nc2nc(C(F)F)nc3ccccc32)C1 ZINC000072275428 558701915 /nfs/dbraw/zinc/70/19/15/558701915.db2.gz YDMKQJYJOHBBCV-OAHLLOKOSA-N -1 3 418.875 5.003 50 10 HKCAHM [O-]c1ccc(Cl)cc1CN1CCC[C@H](Nc2nc(C(F)F)nc3ccccc32)C1 ZINC000072275429 558701904 /nfs/dbraw/zinc/70/19/04/558701904.db2.gz YDMKQJYJOHBBCV-HNNXBMFYSA-N -1 3 418.875 5.003 50 10 HKCAHM [O-]c1ccccc1[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000072332597 558892690 /nfs/dbraw/zinc/89/26/90/558892690.db2.gz GUKHASSSDSURRJ-SIKLNZKXSA-N -1 3 421.294 5.397 50 10 HKCAHM [O-]c1ccccc1[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000072332598 558892592 /nfs/dbraw/zinc/89/25/92/558892592.db2.gz GUKHASSSDSURRJ-DENIHFKCSA-N -1 3 421.294 5.397 50 10 HKCAHM CCOC(=O)/C=C(\C)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1cc(Cl)ccc1[O-] ZINC000080325229 568601744 /nfs/dbraw/zinc/60/17/44/568601744.db2.gz DJXQDKQZDJDABV-QHSLDKKCSA-N -1 3 419.308 5.317 50 10 HKCAHM CCOC(=O)/C=C(\C)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cc(Cl)ccc1[O-] ZINC000080325233 568601818 /nfs/dbraw/zinc/60/18/18/568601818.db2.gz DJXQDKQZDJDABV-YFPIXMDGSA-N -1 3 419.308 5.317 50 10 HKCAHM CCOc1ccc(C2=NN(/C(C)=C/C(C)(C)O)[C@H](c3ccccc3[O-])C2)cc1Cl ZINC000080325337 568601910 /nfs/dbraw/zinc/60/19/10/568601910.db2.gz JGTCXKHOPWHMJT-JWHUVLAVSA-N -1 3 414.933 5.270 50 10 HKCAHM CCOc1ccc(C2=NN(/C(C)=C/C(C)(C)O)[C@@H](c3ccccc3[O-])C2)cc1Cl ZINC000080325340 568601796 /nfs/dbraw/zinc/60/17/96/568601796.db2.gz JGTCXKHOPWHMJT-DAMWEWLOSA-N -1 3 414.933 5.270 50 10 HKCAHM COc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21 ZINC000089473564 569061057 /nfs/dbraw/zinc/06/10/57/569061057.db2.gz DEQRKANJJXXFEK-WCYRKSIYSA-N -1 3 423.512 5.563 50 10 HKCAHM COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21 ZINC000089473571 569061008 /nfs/dbraw/zinc/06/10/08/569061008.db2.gz DEQRKANJJXXFEK-OBTVHEKISA-N -1 3 423.512 5.563 50 10 HKCAHM Cc1sc(C(=O)N[C@@H](c2ccccc2)c2c([O-])ccc3ccccc32)cc1[N+](=O)[O-] ZINC000095352927 568601353 /nfs/dbraw/zinc/60/13/53/568601353.db2.gz GEUUOHHYVOELNZ-QFIPXVFZSA-N -1 3 418.474 5.343 50 10 HKCAHM Cc1sc(C(=O)N[C@H](c2ccccc2)c2c([O-])ccc3ccccc32)cc1[N+](=O)[O-] ZINC000095352928 568601364 /nfs/dbraw/zinc/60/13/64/568601364.db2.gz GEUUOHHYVOELNZ-JOCHJYFZSA-N -1 3 418.474 5.343 50 10 HKCAHM CC(C)CO[C@@H](C)c1noc(CN(Cc2ccccc2[O-])[C@@H](C)c2ccccc2)n1 ZINC000095451556 568614659 /nfs/dbraw/zinc/61/46/59/568614659.db2.gz ROAPKVMCQPAHHN-OALUTQOASA-N -1 3 409.530 5.272 50 10 HKCAHM CC(C)CO[C@H](C)c1noc(CN(Cc2ccccc2[O-])[C@@H](C)c2ccccc2)n1 ZINC000095451557 568614759 /nfs/dbraw/zinc/61/47/59/568614759.db2.gz ROAPKVMCQPAHHN-RBUKOAKNSA-N -1 3 409.530 5.272 50 10 HKCAHM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1cccc(Nc2ccccc2)c1 ZINC000095470964 568626424 /nfs/dbraw/zinc/62/64/24/568626424.db2.gz LLTGEHYRLVWSHE-JCMHNJIXSA-N -1 3 402.885 5.802 50 10 HKCAHM COc1ccc(N2C(=O)/C(=C\C(C)=C\c3cc(Cl)ccc3[O-])SC2=S)cc1 ZINC000098086345 559064893 /nfs/dbraw/zinc/06/48/93/559064893.db2.gz DJBOCEUSMFKLMV-QLEPDINUSA-N -1 3 417.939 5.406 50 10 HKCAHM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1c2ccccc2nc2ccccc21 ZINC000100148677 559130673 /nfs/dbraw/zinc/13/06/73/559130673.db2.gz VMMGVPGYTZQXLH-JCMHNJIXSA-N -1 3 406.489 5.723 50 10 HKCAHM Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1ccc(C)c(Cl)c1 ZINC000100148740 559130678 /nfs/dbraw/zinc/13/06/78/559130678.db2.gz BNSQTLABNUXPBW-YBEGLDIGSA-N -1 3 404.695 5.129 50 10 HKCAHM CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccccc1CC ZINC000100163496 559167467 /nfs/dbraw/zinc/16/74/67/559167467.db2.gz GWMJVERUJMVGNI-RCCKNPSSSA-N -1 3 404.539 5.748 50 10 HKCAHM CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1cc(C)cc(C)c1 ZINC000100964876 560765137 /nfs/dbraw/zinc/76/51/37/560765137.db2.gz AQOHOSGMSHELRG-PGMHBOJBSA-N -1 3 404.539 5.802 50 10 HKCAHM Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1cccc2ccccc21 ZINC000101077968 560771300 /nfs/dbraw/zinc/77/13/00/560771300.db2.gz CWZRTQVXLQFZAV-CPNJWEJPSA-N -1 3 406.283 5.321 50 10 HKCAHM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(Br)c2ccccc12 ZINC000101114231 560786884 /nfs/dbraw/zinc/78/68/84/560786884.db2.gz DVKGAPHIKAHATG-CPNJWEJPSA-N -1 3 420.310 5.629 50 10 HKCAHM Cc1[n-]n(-c2ccc(Br)cc2C)c(=O)c1C=Nc1ccc(C)c(Cl)c1 ZINC000101123048 560788218 /nfs/dbraw/zinc/78/82/18/560788218.db2.gz YOKIQETVSDCCNQ-MHWRWJLKSA-N -1 3 418.722 5.438 50 10 HKCAHM COc1ccc(-n2[n-]c(C)c(C=Nc3ccc(Cl)c(Cl)c3)c2=O)cc1Cl ZINC000101127943 560788313 /nfs/dbraw/zinc/78/83/13/560788313.db2.gz DDKWYNSQGQYMHF-UKTHLTGXSA-N -1 3 410.688 5.374 50 10 HKCAHM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1cccc(Nc2ccccc2)c1 ZINC000101148647 560788688 /nfs/dbraw/zinc/78/86/88/560788688.db2.gz LLTGEHYRLVWSHE-PXLXIMEGSA-N -1 3 402.885 5.802 50 10 HKCAHM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1cccc(Nc2ccccc2)c1 ZINC000101150099 560788682 /nfs/dbraw/zinc/78/86/82/560788682.db2.gz RWKMIEICIZKCPT-PXLXIMEGSA-N -1 3 402.885 5.802 50 10 HKCAHM Cc1[n-]n(-c2ccccc2)c(=S)c1C=Nc1ccc(Br)c2cccnc12 ZINC000102573135 559151279 /nfs/dbraw/zinc/15/12/79/559151279.db2.gz PXASPSQXDLVEIJ-VBKFSLOCSA-N -1 3 423.339 5.517 50 10 HKCAHM [O-]c1ccc(Cl)cc1C1=NN2[C@H](C1)c1cc(Cl)ccc1O[C@@H]2c1ccco1 ZINC000102907366 560835095 /nfs/dbraw/zinc/83/50/95/560835095.db2.gz LKGLOWHRKVOXEQ-OXQOHEQNSA-N -1 3 401.249 5.534 50 10 HKCAHM COc1cc(-n2[n-]c(C)c(C=Nc3ccc(Cl)c(Cl)c3)c2=O)ccc1Cl ZINC000103646433 560844026 /nfs/dbraw/zinc/84/40/26/560844026.db2.gz WSEFPDLXJXHBJD-UKTHLTGXSA-N -1 3 410.688 5.374 50 10 HKCAHM [O-]c1ccccc1[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000106937246 560894778 /nfs/dbraw/zinc/89/47/78/560894778.db2.gz GUKHASSSDSURRJ-UGKGYDQZSA-N -1 3 421.294 5.397 50 10 HKCAHM [O-]c1ccccc1[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccccc3)=NN21 ZINC000106937248 560894794 /nfs/dbraw/zinc/89/47/94/560894794.db2.gz GUKHASSSDSURRJ-KNQAVFIVSA-N -1 3 421.294 5.397 50 10 HKCAHM COc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@H](c1ccccc1)c1c([O-])ccc2ccccc21 ZINC000107578123 560896877 /nfs/dbraw/zinc/89/68/77/560896877.db2.gz DEQRKANJJXXFEK-VMODYCNZSA-N -1 3 423.512 5.563 50 10 HKCAHM COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H](c1ccccc1)c1c([O-])ccc2ccccc21 ZINC000107578132 560896881 /nfs/dbraw/zinc/89/68/81/560896881.db2.gz DEQRKANJJXXFEK-QHWMMSMNSA-N -1 3 423.512 5.563 50 10 HKCAHM CC(C)CO[C@H](C)c1noc(CN(Cc2ccccc2[O-])[C@H](C)c2ccccc2)n1 ZINC000108149717 560897998 /nfs/dbraw/zinc/89/79/98/560897998.db2.gz ROAPKVMCQPAHHN-RTBURBONSA-N -1 3 409.530 5.272 50 10 HKCAHM CC(C)CO[C@@H](C)c1noc(CN(Cc2ccccc2[O-])[C@H](C)c2ccccc2)n1 ZINC000108149720 560898233 /nfs/dbraw/zinc/89/82/33/560898233.db2.gz ROAPKVMCQPAHHN-MOPGFXCFSA-N -1 3 409.530 5.272 50 10 HKCAHM COc1cccc2c1O[C@@H](c1cccc(O)c1)N1N=C(c3cc(Cl)ccc3[O-])C[C@@H]21 ZINC000169681535 569127644 /nfs/dbraw/zinc/12/76/44/569127644.db2.gz SULFABMBIPMFDQ-CVDCTZTESA-N -1 3 422.868 5.002 50 10 HKCAHM COc1cccc2c1O[C@@H](c1ccc(O)cc1)N1N=C(c3cc(Cl)ccc3[O-])C[C@@H]21 ZINC000169681536 569127671 /nfs/dbraw/zinc/12/76/71/569127671.db2.gz LPGAGUCQEXUGTO-CVDCTZTESA-N -1 3 422.868 5.002 50 10 HKCAHM CCOc1cccc2c1O[C@@H](c1sccc1C)N1N=C(c3ccccc3[O-])C[C@@H]21 ZINC000227486662 568855281 /nfs/dbraw/zinc/85/52/81/568855281.db2.gz DNLGNANDJKVQJH-MBSDFSHPSA-N -1 3 406.507 5.403 50 10 HKCAHM CCOc1cccc2c1O[C@H](c1sccc1C)N1N=C(c3ccccc3[O-])C[C@@H]21 ZINC000227486673 568855374 /nfs/dbraw/zinc/85/53/74/568855374.db2.gz DNLGNANDJKVQJH-FDDCHVKYSA-N -1 3 406.507 5.403 50 10 HKCAHM COc1cccc2c1O[C@@H](c1cccs1)N1N=C(c3cc(Cl)ccc3[O-])C[C@@H]21 ZINC000227486789 568855314 /nfs/dbraw/zinc/85/53/14/568855314.db2.gz TVDGONDTPAVSRV-KKSFZXQISA-N -1 3 412.898 5.358 50 10 HKCAHM COc1cccc2c1O[C@H](c1cccs1)N1N=C(c3cc(Cl)ccc3[O-])C[C@@H]21 ZINC000227486793 568855345 /nfs/dbraw/zinc/85/53/45/568855345.db2.gz TVDGONDTPAVSRV-HRAATJIYSA-N -1 3 412.898 5.358 50 10 HKCAHM COc1cccc2c1O[C@@H](c1ccsc1)N1N=C(c3cc(Cl)ccc3[O-])C[C@@H]21 ZINC000227486805 568855385 /nfs/dbraw/zinc/85/53/85/568855385.db2.gz NISITWDMQGXPRL-UWJYYQICSA-N -1 3 412.898 5.358 50 10 HKCAHM COc1cccc2c1O[C@H](c1ccsc1)N1N=C(c3cc(Cl)ccc3[O-])C[C@@H]21 ZINC000227486811 568855258 /nfs/dbraw/zinc/85/52/58/568855258.db2.gz NISITWDMQGXPRL-LAUBAEHRSA-N -1 3 412.898 5.358 50 10 HKCAHM CCOc1cccc2c1O[C@@H](c1ccncc1)N1N=C(c3cc(Cl)ccc3[O-])C[C@@H]21 ZINC000227486836 521433056 /nfs/dbraw/zinc/43/30/56/521433056.db2.gz FTZPGFNNZGFBAR-CVDCTZTESA-N -1 3 421.884 5.082 50 10 HKCAHM CCOc1cccc2c1O[C@H](c1ccncc1)N1N=C(c3cc(Cl)ccc3[O-])C[C@@H]21 ZINC000227486840 568855342 /nfs/dbraw/zinc/85/53/42/568855342.db2.gz FTZPGFNNZGFBAR-WMZHIEFXSA-N -1 3 421.884 5.082 50 10 HKCAHM CCOc1cccc2c1O[C@@H](c1cccnc1)N1N=C(c3cc(Cl)ccc3[O-])C[C@@H]21 ZINC000227486849 568855358 /nfs/dbraw/zinc/85/53/58/568855358.db2.gz SCMJVIXUSKAJOR-CVDCTZTESA-N -1 3 421.884 5.082 50 10 HKCAHM CCOc1cccc2c1O[C@H](c1cccnc1)N1N=C(c3cc(Cl)ccc3[O-])C[C@@H]21 ZINC000227486858 568855300 /nfs/dbraw/zinc/85/53/00/568855300.db2.gz SCMJVIXUSKAJOR-WMZHIEFXSA-N -1 3 421.884 5.082 50 10 HKCAHM CCOc1cccc2c1O[C@@H](c1ccccn1)N1N=C(c3cc(Cl)ccc3[O-])C[C@@H]21 ZINC000227486867 568855304 /nfs/dbraw/zinc/85/53/04/568855304.db2.gz VPQWFAYSCJGCNW-CVDCTZTESA-N -1 3 421.884 5.082 50 10 HKCAHM CCOc1cccc2c1O[C@H](c1ccccn1)N1N=C(c3cc(Cl)ccc3[O-])C[C@@H]21 ZINC000227486874 568855294 /nfs/dbraw/zinc/85/52/94/568855294.db2.gz VPQWFAYSCJGCNW-WMZHIEFXSA-N -1 3 421.884 5.082 50 10 HKCAHM CCOc1cccc2c1O[C@@H](c1ccco1)N1N=C(c3cc(Cl)ccc3[O-])C[C@@H]21 ZINC000227486900 568855291 /nfs/dbraw/zinc/85/52/91/568855291.db2.gz IJRHJQJXMMJUEF-JTSKRJEESA-N -1 3 410.857 5.280 50 10 HKCAHM CCOc1cccc2c1O[C@H](c1ccco1)N1N=C(c3cc(Cl)ccc3[O-])C[C@@H]21 ZINC000227486909 568855380 /nfs/dbraw/zinc/85/53/80/568855380.db2.gz IJRHJQJXMMJUEF-HTAPYJJXSA-N -1 3 410.857 5.280 50 10 HKCAHM [O-]c1ccc(Cl)cc1C1=NN2[C@H](C1)c1cc(Cl)ccc1O[C@H]2c1ccco1 ZINC000247903738 559225067 /nfs/dbraw/zinc/22/50/67/559225067.db2.gz LKGLOWHRKVOXEQ-UZLBHIALSA-N -1 3 401.249 5.534 50 10 HKCAHM [O-]c1ccc(Cl)cc1C1=NN2[C@@H](C1)c1cc(Cl)ccc1O[C@H]2c1ccsc1 ZINC000248002563 559259106 /nfs/dbraw/zinc/25/91/06/559259106.db2.gz RKFLGADYNUIFSK-PXNSSMCTSA-N -1 3 417.317 6.003 50 10 HKCAHM [O-]c1ccc(Cl)cc1C1=NN2[C@H](C1)c1cc(Cl)ccc1O[C@H]2c1ccsc1 ZINC000248002566 559259101 /nfs/dbraw/zinc/25/91/01/559259101.db2.gz RKFLGADYNUIFSK-XLIONFOSSA-N -1 3 417.317 6.003 50 10 HKCAHM