smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccsc1[C@@H]1c2c(C)nn(-c3ccccc3)c2N=C(c2ccccc2[O-])[C@H]1C(=O)[O-] ZINC000012585116 525885320 /nfs/dbraw/zinc/88/53/20/525885320.db2.gz PLDBOIQBKAIMGB-RTWAWAEBSA-N -2 3 443.528 5.223 50 0 IKAAHL [O-]c1c(Br)cc(Cl)cc1Sc1cc(Cl)cc(Br)c1[O-] ZINC000002353122 555771476 /nfs/dbraw/zinc/77/14/76/555771476.db2.gz GAKNPUYHWSZTIO-UHFFFAOYSA-N -2 3 444.959 6.081 50 0 in-vitro IKAAHL Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1cccc(OCc2cccc3ccccc32)c1 ZINC000006300074 556084601 /nfs/dbraw/zinc/08/46/01/556084601.db2.gz LRHVKXQKIFHXNT-UHFFFAOYSA-N -2 3 440.503 5.073 50 0 IKAAHL CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCCCC3)c(C(=O)[O-])c2)cc1 ZINC000032962182 556580425 /nfs/dbraw/zinc/58/04/25/556580425.db2.gz NBSXYJAMPDIEBJ-UHFFFAOYSA-N -2 3 430.570 5.080 50 0 IKAAHL Cc1ccc2nc(-c3ccc(NC(=O)c4c([O-])[n-]c5ccccc5c4=O)cc3)sc2c1 ZINC000017124266 556668559 /nfs/dbraw/zinc/66/85/59/556668559.db2.gz QUVAHLBSVHVZIW-UHFFFAOYSA-N -2 3 427.485 5.071 50 0 IKAAHL CCCCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1C(=O)[O-] ZINC000033253572 556893953 /nfs/dbraw/zinc/89/39/53/556893953.db2.gz QHVMBEFAGBROAE-UHFFFAOYSA-N -2 3 432.586 5.110 50 0 IKAAHL [O-]c1c(-c2ccccn2)cc2ccccc2c1-c1c([O-])c(-c2ccccn2)cc2ccccc21 ZINC000107502127 557336895 /nfs/dbraw/zinc/33/68/95/557336895.db2.gz XSBMCSCMQZOZOJ-UHFFFAOYSA-N -2 3 440.502 7.195 50 0 IKAAHL CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCCCC3)c(C(=O)[O-])c2)cc1 ZINC000032962185 519442577 /nfs/dbraw/zinc/44/25/77/519442577.db2.gz HPFMQGPOSYHUQW-UHFFFAOYSA-N -2 3 444.597 5.155 50 0 IKAAHL CCCN(CCC)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1C(=O)[O-] ZINC000032962092 521650792 /nfs/dbraw/zinc/65/07/92/521650792.db2.gz PYCFQMWULCDINH-UHFFFAOYSA-N -2 3 445.368 5.119 50 0 IKAAHL Cc1ccsc1[C@H]1c2c(C)nn(-c3ccccc3)c2N=C(c2ccccc2[O-])[C@@H]1C(=O)[O-] ZINC000012585101 525897833 /nfs/dbraw/zinc/89/78/33/525897833.db2.gz PLDBOIQBKAIMGB-LEWJYISDSA-N -2 3 443.528 5.223 50 0 IKAAHL Cc1ccc(-c2n[n-]c3c2[C@H](c2ccc(Cl)cc2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1 ZINC000002746300 556136641 /nfs/dbraw/zinc/13/66/41/556136641.db2.gz XINRXODWZGGTGE-QHCPKHFHSA-N -2 3 443.890 5.487 50 0 IKAAHL Cc1ccc(-c2[n-]nc3c2[C@H](c2ccc(Cl)cc2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1 ZINC000002746300 556136644 /nfs/dbraw/zinc/13/66/44/556136644.db2.gz XINRXODWZGGTGE-QHCPKHFHSA-N -2 3 443.890 5.487 50 0 IKAAHL CCCN(CCC)c1ccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)cc1C(=O)[O-] ZINC000033253499 556893997 /nfs/dbraw/zinc/89/39/97/556893997.db2.gz WJDWFQLGBAHVOQ-UHFFFAOYSA-N -2 3 432.586 5.011 50 0 IKAAHL CCCN(CCC)c1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1C(=O)[O-] ZINC000033253507 556894017 /nfs/dbraw/zinc/89/40/17/556894017.db2.gz UZHNADBVYYBGGH-UHFFFAOYSA-N -2 3 432.586 5.110 50 0 IKAAHL COc1cc(/C=C(\CCCC(=O)[O-])c2nc3ccccc3s2)cc(Br)c1[O-] ZINC000024657048 557122067 /nfs/dbraw/zinc/12/20/67/557122067.db2.gz MXMOXUITTVODCP-UKTHLTGXSA-N -2 3 448.338 5.569 50 0 IKAAHL CCCCn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccccc3)C2)c(=O)[n-]c1=S ZINC000101495170 557289092 /nfs/dbraw/zinc/28/90/92/557289092.db2.gz KMCJCCUZYAJROK-LJQANCHMSA-N -2 3 437.590 5.769 50 0 IKAAHL Cn1c([O-])c(C2=Nc3ccccc3S[C@H](c3cccc4ccccc43)C2)c(=O)[n-]c1=S ZINC000101767009 557295824 /nfs/dbraw/zinc/29/58/24/557295824.db2.gz ICECQTJDOWHSJP-FQEVSTJZSA-N -2 3 445.569 5.660 50 0 IKAAHL Cn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3cccc4ccccc43)C2)c(=O)[n-]c1=S ZINC000101767015 557295834 /nfs/dbraw/zinc/29/58/34/557295834.db2.gz ICECQTJDOWHSJP-HXUWFJFHSA-N -2 3 445.569 5.660 50 0 IKAAHL CCCCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)cc1C(=O)[O-] ZINC000033253565 557327623 /nfs/dbraw/zinc/32/76/23/557327623.db2.gz IMIRHUGQZZGDBH-UHFFFAOYSA-N -2 3 432.586 5.011 50 0 IKAAHL COc1cc(/C=C(/CCCC(=O)[O-])c2nc3ccccc3s2)cc(Br)c1[O-] ZINC000057645311 569440538 /nfs/dbraw/zinc/44/05/38/569440538.db2.gz MXMOXUITTVODCP-LCYFTJDESA-N -2 3 448.338 5.569 50 0 IKAAHL Cc1ccsc1[C@@H]1c2c(C)nn(-c3ccccc3)c2N=C(c2ccccc2[O-])[C@@H]1C(=O)[O-] ZINC000012585103 525885021 /nfs/dbraw/zinc/88/50/21/525885021.db2.gz PLDBOIQBKAIMGB-NHCUHLMSSA-N -2 3 443.528 5.223 50 0 IKAAHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N(CC(C)C)CC(C)C)c(C(=O)[O-])c2)cc1C ZINC000032962139 556581200 /nfs/dbraw/zinc/58/12/00/556581200.db2.gz PMDASRBIUJYOHY-UHFFFAOYSA-N -2 3 446.613 5.229 50 0 IKAAHL CC(C)CN(CC(C)C)c1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1C(=O)[O-] ZINC000032962137 556581238 /nfs/dbraw/zinc/58/12/38/556581238.db2.gz FVMQKVFELHCLPS-UHFFFAOYSA-N -2 3 446.613 5.427 50 0 IKAAHL Cn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(Cl)cc3)C2)c(=O)[n-]c1=S ZINC000101766994 557295829 /nfs/dbraw/zinc/29/58/29/557295829.db2.gz XZFBFYZMMIIWCM-MRXNPFEDSA-N -2 3 429.954 5.160 50 0 IKAAHL COc1cccc(-c2oc3cc([O-])c4c(=O)cc(-c5ccccc5)oc4c3c2CC(=O)[O-])c1 ZINC000524731220 557369412 /nfs/dbraw/zinc/36/94/12/557369412.db2.gz ONCNBRXDVDDOOS-UHFFFAOYSA-N -2 3 442.423 5.215 50 0 biogenic IKAAHL Cc1ccc(-c2n[n-]c3c2[C@@H](c2ccccc2Cl)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1 ZINC000008595565 562953557 /nfs/dbraw/zinc/95/35/57/562953557.db2.gz GEXWOAADCSXIHV-HSZRJFAPSA-N -2 3 443.890 5.487 50 0 IKAAHL Cc1ccc(-c2[n-]nc3c2[C@@H](c2ccccc2Cl)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1 ZINC000008595565 562953558 /nfs/dbraw/zinc/95/35/58/562953558.db2.gz GEXWOAADCSXIHV-HSZRJFAPSA-N -2 3 443.890 5.487 50 0 IKAAHL CC(C)[C@H](CC(=O)N1CCCCC1)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21 ZINC000253411714 569265840 /nfs/dbraw/zinc/26/58/40/569265840.db2.gz OZQOUHYYOATZQA-SFHVURJKSA-N -2 3 435.520 5.013 50 0 biogenic IKAAHL CC(C)C[C@@H](CC(=O)N1CCCCC1)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21 ZINC000253415120 569266226 /nfs/dbraw/zinc/26/62/26/569266226.db2.gz ZRVHUDZIVWIYPV-IBGZPJMESA-N -2 3 449.547 5.404 50 0 biogenic IKAAHL COC(=O)C[C@@H](c1ccc(C)c(C)c1)c1c([O-])ccc2c(=O)c(-c3ccc([O-])cc3)coc21 ZINC000096116068 569383416 /nfs/dbraw/zinc/38/34/16/569383416.db2.gz DLVNYBCESLTWRU-NRFANRHFSA-N -2 3 444.483 5.183 50 0 biogenic IKAAHL O=C([O-])c1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@H]2c2ccccc2Cl)cc1 ZINC000009679092 569559858 /nfs/dbraw/zinc/55/98/58/569559858.db2.gz SSPODNUVKHHSMT-JOCHJYFZSA-N -2 3 429.863 5.178 50 0 IKAAHL O=C([O-])c1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@H]2c2ccccc2Cl)cc1 ZINC000009679092 569559859 /nfs/dbraw/zinc/55/98/59/569559859.db2.gz SSPODNUVKHHSMT-JOCHJYFZSA-N -2 3 429.863 5.178 50 0 IKAAHL Cc1ccsc1[C@H]1c2c(C)nn(-c3ccccc3)c2N=C(c2ccccc2[O-])[C@H]1C(=O)[O-] ZINC000012585109 525898565 /nfs/dbraw/zinc/89/85/65/525898565.db2.gz PLDBOIQBKAIMGB-SFTDATJTSA-N -2 3 443.528 5.223 50 0 IKAAHL CCCCN(C)c1ccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1C(=O)[O-] ZINC000032962047 556580113 /nfs/dbraw/zinc/58/01/13/556580113.db2.gz QXXUVMSKONEBOA-UHFFFAOYSA-N -2 3 444.597 5.470 50 0 IKAAHL CCCc1cc(=O)[n-]c(S[C@@H](C)c2nc(=O)c3c(-c4cccs4)csc3[n-]2)n1 ZINC000011443602 557148334 /nfs/dbraw/zinc/14/83/34/557148334.db2.gz XDSMJZZSDSPRHS-JTQLQIEISA-N -2 3 430.580 5.015 50 0 IKAAHL COc1ccc(-c2oc3cc([O-])c4c(=O)cc(-c5ccccc5)oc4c3c2CC(=O)[O-])cc1 ZINC000524730533 557369185 /nfs/dbraw/zinc/36/91/85/557369185.db2.gz MLLZGUNBEYFVQT-UHFFFAOYSA-N -2 3 442.423 5.215 50 0 biogenic IKAAHL Cc1ccc(-c2n[n-]c3c2[C@H](c2ccccc2Cl)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1 ZINC000008595567 562953571 /nfs/dbraw/zinc/95/35/71/562953571.db2.gz GEXWOAADCSXIHV-QHCPKHFHSA-N -2 3 443.890 5.487 50 0 IKAAHL Cc1ccc(-c2[n-]nc3c2[C@H](c2ccccc2Cl)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1 ZINC000008595567 562953572 /nfs/dbraw/zinc/95/35/72/562953572.db2.gz GEXWOAADCSXIHV-QHCPKHFHSA-N -2 3 443.890 5.487 50 0 IKAAHL COC(=O)C[C@H](c1ccc(C)c(C)c1)c1c([O-])ccc2c(=O)c(-c3ccc([O-])cc3)coc21 ZINC000096116067 569383410 /nfs/dbraw/zinc/38/34/10/569383410.db2.gz DLVNYBCESLTWRU-OAQYLSRUSA-N -2 3 444.483 5.183 50 0 biogenic IKAAHL O=C([O-])c1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@@H]2c2ccccc2Cl)cc1 ZINC000009679093 569559795 /nfs/dbraw/zinc/55/97/95/569559795.db2.gz SSPODNUVKHHSMT-QFIPXVFZSA-N -2 3 429.863 5.178 50 0 IKAAHL O=C([O-])c1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@@H]2c2ccccc2Cl)cc1 ZINC000009679093 569559796 /nfs/dbraw/zinc/55/97/96/569559796.db2.gz SSPODNUVKHHSMT-QFIPXVFZSA-N -2 3 429.863 5.178 50 0 IKAAHL O=C([O-])c1ccc(-c2ccc(/C=C3/[N-]C(=O)N(c4cccc(Cl)c4)C3=O)o2)cc1Cl ZINC000009460747 556293092 /nfs/dbraw/zinc/29/30/92/556293092.db2.gz GGPOVWMSVQBOIN-LICLKQGHSA-N -2 3 443.242 5.049 50 0 IKAAHL O=P([O-])([O-])CCCCCCCCCCCCOc1c(F)c(F)c(F)c(F)c1F ZINC000039337607 556627599 /nfs/dbraw/zinc/62/75/99/556627599.db2.gz ULXYEINUTVZCLX-UHFFFAOYSA-N -2 3 432.366 5.840 50 0 IKAAHL CCCCn1c([O-])c(C2=Nc3ccccc3S[C@H](c3ccccc3)C2)c(=O)[n-]c1=S ZINC000101495167 557289025 /nfs/dbraw/zinc/28/90/25/557289025.db2.gz KMCJCCUZYAJROK-IBGZPJMESA-N -2 3 437.590 5.769 50 0 IKAAHL CC(C)[C@@H](CC(=O)N1CCCCC1)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21 ZINC000253411713 569265876 /nfs/dbraw/zinc/26/58/76/569265876.db2.gz OZQOUHYYOATZQA-GOSISDBHSA-N -2 3 435.520 5.013 50 0 biogenic IKAAHL COc1cc(/C=C(/CCC(=O)[O-])c2nc3ccccc3s2)cc(Br)c1[O-] ZINC000040161460 569495205 /nfs/dbraw/zinc/49/52/05/569495205.db2.gz NGMPTFBEXKYJQF-WQLSENKSSA-N -2 3 434.311 5.178 50 0 IKAAHL O=C([O-])c1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009679096 569559854 /nfs/dbraw/zinc/55/98/54/569559854.db2.gz IKKGALNFMJPEFT-QFIPXVFZSA-N -2 3 429.863 5.178 50 0 IKAAHL O=C([O-])c1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009679096 569559855 /nfs/dbraw/zinc/55/98/55/569559855.db2.gz IKKGALNFMJPEFT-QFIPXVFZSA-N -2 3 429.863 5.178 50 0 IKAAHL [O-]c1c(Br)cc2ccccc2c1-c1c([O-])c(Br)cc2ccccc21 ZINC000002506658 555785239 /nfs/dbraw/zinc/78/52/39/555785239.db2.gz BRTBEAXHUYEXSY-UHFFFAOYSA-N -2 3 444.122 6.596 50 0 IKAAHL Cc1ccc(-c2n[n-]c3c2[C@@H](c2ccc(Cl)cc2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1 ZINC000002746301 556136676 /nfs/dbraw/zinc/13/66/76/556136676.db2.gz XINRXODWZGGTGE-HSZRJFAPSA-N -2 3 443.890 5.487 50 0 IKAAHL Cc1ccc(-c2[n-]nc3c2[C@@H](c2ccc(Cl)cc2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1 ZINC000002746301 556136678 /nfs/dbraw/zinc/13/66/78/556136678.db2.gz XINRXODWZGGTGE-HSZRJFAPSA-N -2 3 443.890 5.487 50 0 IKAAHL Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccc(OCc2cccc3ccccc32)cc1 ZINC000019586225 556823093 /nfs/dbraw/zinc/82/30/93/556823093.db2.gz BZIMVYLIUWWSDE-UHFFFAOYSA-N -2 3 440.503 5.073 50 0 IKAAHL COc1cc(/C=C(\CCC(=O)[O-])c2nc3ccccc3s2)cc(Br)c1[O-] ZINC000016441063 568902917 /nfs/dbraw/zinc/90/29/17/568902917.db2.gz NGMPTFBEXKYJQF-XYOKQWHBSA-N -2 3 434.311 5.178 50 0 IKAAHL COc1cc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)[O-])cc(Br)c1[O-] ZINC000012658471 521966515 /nfs/dbraw/zinc/96/65/15/521966515.db2.gz QTFNAXOPUSUNCJ-UKTHLTGXSA-N -2 3 440.293 5.287 50 0 IKAAHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(N(CC(C)C)CC(C)C)c(C(=O)[O-])c2)c(C)c1 ZINC000032962131 556581155 /nfs/dbraw/zinc/58/11/55/556581155.db2.gz YLARWDBKLVXMAV-UHFFFAOYSA-N -2 3 446.613 5.229 50 0 IKAAHL CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1C(=O)[O-] ZINC000033253640 556894025 /nfs/dbraw/zinc/89/40/25/556894025.db2.gz XDDDDCNHLZPDMX-UHFFFAOYSA-N -2 3 430.570 5.080 50 0 IKAAHL O=C([O-])c1cc(-c2cc3ccccc3cc2[O-])nc2ccc3nn(-c4ccccc4)nc3c21 ZINC000000811387 557252025 /nfs/dbraw/zinc/25/20/25/557252025.db2.gz KHBKDUOPNGANFD-UHFFFAOYSA-N -2 3 432.439 5.193 50 0 IKAAHL CC(C)c1ccc([C@@H]2CC(c3c(=O)[n-]c(=S)n(C)c3[O-])=Nc3ccccc3S2)cc1 ZINC000101494831 557288677 /nfs/dbraw/zinc/28/86/77/557288677.db2.gz KXKUNCXKBWJAIC-IBGZPJMESA-N -2 3 437.590 5.630 50 0 IKAAHL Cc1ccc(-c2oc3cc([O-])c4c(=O)cc(-c5ccccc5)oc4c3c2CC(=O)[O-])c(C)c1 ZINC000524732085 557370155 /nfs/dbraw/zinc/37/01/55/557370155.db2.gz WOCAOWCABUJZMF-UHFFFAOYSA-N -2 3 440.451 5.823 50 0 biogenic IKAAHL CC(C)C[C@H](CC(=O)N1CCCCC1)c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21 ZINC000253415121 569266312 /nfs/dbraw/zinc/26/63/12/569266312.db2.gz ZRVHUDZIVWIYPV-LJQANCHMSA-N -2 3 449.547 5.404 50 0 biogenic IKAAHL CCCc1cc(-c2n[nH]c(CCCC(=O)[O-])c2-c2nc3ccccc3s2)c([O-])cc1O ZINC000011867635 569303078 /nfs/dbraw/zinc/30/30/78/569303078.db2.gz ZSKDUTDVCSQTNC-UHFFFAOYSA-N -2 3 437.521 5.124 50 0 IKAAHL CCCCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1C(=O)[O-] ZINC000032962129 520484583 /nfs/dbraw/zinc/48/45/83/520484583.db2.gz GIQXRYRNBWALFG-UHFFFAOYSA-N -2 3 445.368 5.119 50 0 IKAAHL COc1cc(/C=C/c2ccc3c(Cl)cc(Cl)c([O-])c3n2)cc(Br)c1[O-] ZINC000012547110 521944188 /nfs/dbraw/zinc/94/41/88/521944188.db2.gz LPFDAIWCBZLCMG-NSCUHMNNSA-N -2 3 441.108 5.894 50 0 IKAAHL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCCCC3)c(C(=O)[O-])c2)cc1 ZINC000032962194 556580349 /nfs/dbraw/zinc/58/03/49/556580349.db2.gz XVHUUWWZESITKL-UHFFFAOYSA-N -2 3 444.597 5.254 50 0 IKAAHL CC(C)c1ccc([C@H]2CC(c3c(=O)[n-]c(=S)n(C)c3[O-])=Nc3ccccc3S2)cc1 ZINC000101494836 557288739 /nfs/dbraw/zinc/28/87/39/557288739.db2.gz KXKUNCXKBWJAIC-LJQANCHMSA-N -2 3 437.590 5.630 50 0 IKAAHL Cn1c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(Cl)cc3)C2)c(=O)[n-]c1=S ZINC000101766991 557295924 /nfs/dbraw/zinc/29/59/24/557295924.db2.gz XZFBFYZMMIIWCM-INIZCTEOSA-N -2 3 429.954 5.160 50 0 IKAAHL O=C([O-])Cc1c(-c2ccc(F)cc2)oc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c21 ZINC000524729550 557368762 /nfs/dbraw/zinc/36/87/62/557368762.db2.gz YFOGRJDBHUIBSD-UHFFFAOYSA-N -2 3 430.387 5.345 50 0 biogenic IKAAHL O=C([O-])c1ccc(N2C(=O)c3[n-]nc(-c4ccccc4)c3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009679095 569559822 /nfs/dbraw/zinc/55/98/22/569559822.db2.gz IKKGALNFMJPEFT-JOCHJYFZSA-N -2 3 429.863 5.178 50 0 IKAAHL O=C([O-])c1ccc(N2C(=O)c3n[n-]c(-c4ccccc4)c3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009679095 569559823 /nfs/dbraw/zinc/55/98/23/569559823.db2.gz IKKGALNFMJPEFT-JOCHJYFZSA-N -2 3 429.863 5.178 50 0 IKAAHL