smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)Cc1c([O-])ccc2c(=O)c(Oc3cccc(OC)c3)c(C)oc21 ZINC000020412357 818621139 /nfs/dbraw/zinc/62/11/39/818621139.db2.gz NRTQHOGXGZKIGR-UHFFFAOYSA-N -1 3 383.444 4.450 50 10 GICAHM COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1c([O-])ccc2ccccc21 ZINC000005482398 204135199 /nfs/dbraw/zinc/13/51/99/204135199.db2.gz FXEAHQJTAKZOKF-STZFKDTASA-N -1 3 399.446 4.418 50 10 GICAHM COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4[O-])=NN32)cc1O ZINC000006721609 204194498 /nfs/dbraw/zinc/19/44/98/204194498.db2.gz XUXHVKOEKKQXNG-FDDCHVKYSA-N -1 3 388.423 4.349 50 10 GICAHM CCCCN(C)C(=O)[C@H]1Cc2ccccc2CN1Cc1cc(Cl)ccc1[O-] ZINC000019809341 570221135 /nfs/dbraw/zinc/22/11/35/570221135.db2.gz SOVKRGMGRQVHRJ-HXUWFJFHSA-N -1 3 386.923 4.231 50 10 GICAHM O=C1c2c([O-])ccc(O)c2C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21 ZINC000034383525 570533159 /nfs/dbraw/zinc/53/31/59/570533159.db2.gz WABFZNNQLRGYNF-UHFFFAOYSA-N -1 3 377.994 4.487 50 10 GICAHM Cc1cnc(C)c(-c2ccc([O-])c(CN3CCN(c4ccccc4C)CC3)c2)n1 ZINC000055072848 570681609 /nfs/dbraw/zinc/68/16/09/570681609.db2.gz SEMUHJFKDRCCMW-UHFFFAOYSA-N -1 3 388.515 4.097 50 10 GICAHM CCc1cc2c(C)cc(=O)oc2c(CN(C)Cc2ccc(OC)c(F)c2)c1[O-] ZINC000032719967 570760044 /nfs/dbraw/zinc/76/00/44/570760044.db2.gz WBYBTBNJBAFSLR-UHFFFAOYSA-N -1 3 385.435 4.149 50 10 GICAHM COc1ccccc1[C@@H](NC(=O)c1ccccc1)c1ccc2cccnc2c1[O-] ZINC000001209707 570793749 /nfs/dbraw/zinc/79/37/49/570793749.db2.gz HZDPJEOGRSUVDG-JOCHJYFZSA-N -1 3 384.435 4.468 50 10 GICAHM C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)ccc2[O-])N3)C1 ZINC000017083554 570941663 /nfs/dbraw/zinc/94/16/63/570941663.db2.gz HSCXIOBLWYERFL-ANRSDYALSA-N -1 3 393.306 4.195 50 10 GICAHM [O-]c1c([C@@H](c2ccc(Br)cc2)N2CCOCC2)ccc2cccnc21 ZINC000021554801 818702966 /nfs/dbraw/zinc/70/29/66/818702966.db2.gz SNCXLSBVBJAJHM-LJQANCHMSA-N -1 3 399.288 4.125 50 10 GICAHM COc1cccc([C@H](NC(=O)c2ccccc2)c2ccc3cccnc3c2[O-])c1 ZINC000004949816 204096595 /nfs/dbraw/zinc/09/65/95/204096595.db2.gz GTGIZKMPVSADPH-NRFANRHFSA-N -1 3 384.435 4.468 50 10 GICAHM O=C([N-]N1C(=O)/C(=C/c2cccc(F)c2)SC1=S)c1ccccc1Cl ZINC000005054726 204107145 /nfs/dbraw/zinc/10/71/45/204107145.db2.gz YNKIDOIXJGVBFJ-ZROIWOOFSA-N -1 3 392.864 4.025 50 10 GICAHM COC(=O)c1cccc(N[C@H](c2ccccn2)c2ccc3cccnc3c2[O-])c1 ZINC000013816203 570698890 /nfs/dbraw/zinc/69/88/90/570698890.db2.gz DGFMSPNSKHGNIQ-NRFANRHFSA-N -1 3 385.423 4.324 50 10 GICAHM [O-]c1ccc(Br)cc1CN1CCN(Cc2ccccc2Cl)CC1 ZINC000019361434 570979781 /nfs/dbraw/zinc/97/97/81/570979781.db2.gz MKNKFDYIKXREQP-UHFFFAOYSA-N -1 3 395.728 4.126 50 10 GICAHM CCOc1cccc2c1O[C@H](c1ccncc1)N1N=C(c3ccccc3[O-])C[C@@H]21 ZINC000227486601 203791526 /nfs/dbraw/zinc/79/15/26/203791526.db2.gz DSUXZMFAJHEAQV-WMZHIEFXSA-N -1 3 387.439 4.428 50 10 GICAHM Cc1cccc(C)c1OC[C@@H](O)CN(Cc1ccco1)Cc1ccccc1[O-] ZINC000003394625 204004356 /nfs/dbraw/zinc/00/43/56/204004356.db2.gz RGFCWQWKWVGKDB-FQEVSTJZSA-N -1 3 381.472 4.044 50 10 GICAHM O=C1N=C(Nc2cccc(Br)c2)SC1=Cc1ccc([O-])cc1 ZINC000004695913 204065288 /nfs/dbraw/zinc/06/52/88/204065288.db2.gz SBNMGGZLWSUOND-ZSOIEALJSA-N -1 3 375.247 4.237 50 10 GICAHM CCn1cc([C@@H]2CC(c3ccccc3[O-])=NN2c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000071785148 205297526 /nfs/dbraw/zinc/29/75/26/205297526.db2.gz ALURYFJQWDHASB-FQEVSTJZSA-N -1 3 391.431 4.181 50 10 GICAHM CSc1ccc(Cl)c(C(=O)NCc2cc(Br)ccc2[O-])c1 ZINC000239782402 206127711 /nfs/dbraw/zinc/12/77/11/206127711.db2.gz COGCFNHCKLCSDT-UHFFFAOYSA-N -1 3 386.698 4.460 50 10 GICAHM COc1ccc(C(=O)[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c(OC)c1 ZINC000012074793 221148892 /nfs/dbraw/zinc/14/88/92/221148892.db2.gz SKSCJXHJCNFGIP-CQSZACIVSA-N -1 3 389.879 4.158 50 10 GICAHM CCOC(=O)c1c(NCc2cc(Br)ccc2[O-])sc2c1CCC2 ZINC000000708899 570219269 /nfs/dbraw/zinc/21/92/69/570219269.db2.gz XYTNHUSCEBQUEU-UHFFFAOYSA-N -1 3 396.306 4.494 50 10 GICAHM CC(C)C(=O)N[C@H](c1ccc2c(c1)OCO2)c1cc(Cl)c2cccnc2c1[O-] ZINC000000801079 570341678 /nfs/dbraw/zinc/34/16/78/570341678.db2.gz PXJOZOMZBMKZGE-GOSISDBHSA-N -1 3 398.846 4.184 50 10 GICAHM N=C1/C(=C/c2ccc([O-])cc2)C(=O)N=C2SC(CCC3CCCCC3)=NN21 ZINC000005217363 570513076 /nfs/dbraw/zinc/51/30/76/570513076.db2.gz HCPMTJVRQCTNTO-MWSJVPHRSA-N -1 3 382.489 4.372 50 10 GICAHM CCN(Cc1cc(Br)ccc1[O-])Cc1cc([N+](=O)[O-])ccc1OC ZINC000072305017 570515117 /nfs/dbraw/zinc/51/51/17/570515117.db2.gz ZGVWDUSOCKXRPE-UHFFFAOYSA-N -1 3 395.253 4.094 50 10 GICAHM Cc1cc(N[C@H](c2cccc([N+](=O)[O-])c2)c2ccc3cccnc3c2[O-])no1 ZINC000000946888 570734637 /nfs/dbraw/zinc/73/46/37/570734637.db2.gz IMWNEYJBYYRRFU-GOSISDBHSA-N -1 3 376.372 4.347 50 10 GICAHM COc1ccc([C@@H](NC(=O)Cc2ccccc2)c2ccc3cccnc3c2[O-])cc1 ZINC000096602138 570774751 /nfs/dbraw/zinc/77/47/51/570774751.db2.gz BCKQJEPNHUHCRN-HSZRJFAPSA-N -1 3 398.462 4.397 50 10 GICAHM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000001436991 571034004 /nfs/dbraw/zinc/03/40/04/571034004.db2.gz LUPRSCOFNCEJRN-UHFFFAOYSA-N -1 3 384.295 4.387 50 10 GICAHM CCOC(=O)c1[n-]c2ccc(F)cc2c1/N=N/N1CCN(c2ccccc2)CC1 ZINC000002297511 203936545 /nfs/dbraw/zinc/93/65/45/203936545.db2.gz QDNGWTMIOJOMTK-OCOZRVBESA-N -1 3 395.438 4.305 50 10 GICAHM COc1cccc2c1O[C@@H](c1ccc(O)cc1)N1N=C(c3ccccc3[O-])C[C@H]21 ZINC000006721738 204194212 /nfs/dbraw/zinc/19/42/12/204194212.db2.gz AQBZPQHKMNOUDG-XXBNENTESA-N -1 3 388.423 4.349 50 10 GICAHM Cc1nn(C)c(C)c1[C@@H]1CC(c2ccccc2[O-])=NN1c1ccc([N+](=O)[O-])cc1 ZINC000071785172 205296876 /nfs/dbraw/zinc/29/68/76/205296876.db2.gz DHOBJPDWPGIFJO-IBGZPJMESA-N -1 3 391.431 4.006 50 10 GICAHM COc1cc(OC)c(N=Nc2nc[n-]c2C(=O)Nc2ccc(C)cc2)c(OC)c1 ZINC000006160872 206218781 /nfs/dbraw/zinc/21/87/81/206218781.db2.gz SHZVQEDREACAKA-OCOZRVBESA-N -1 3 395.419 4.412 50 10 GICAHM COc1cc(OC)c(N=Nc2[n-]cnc2C(=O)Nc2ccc(C)cc2)c(OC)c1 ZINC000006160872 206218787 /nfs/dbraw/zinc/21/87/87/206218787.db2.gz SHZVQEDREACAKA-OCOZRVBESA-N -1 3 395.419 4.412 50 10 GICAHM CCOc1cccc2c1O[C@H](c1cccnc1)N1N=C(c3ccccc3[O-])C[C@H]21 ZINC000010215880 221098069 /nfs/dbraw/zinc/09/80/69/221098069.db2.gz BBPGRYHTHQBEIY-AUSIDOKSSA-N -1 3 387.439 4.428 50 10 GICAHM CC(C)C(=O)N[C@@H](c1ccc2c(c1)OCO2)c1cc(Cl)c2cccnc2c1[O-] ZINC000000801078 570341780 /nfs/dbraw/zinc/34/17/80/570341780.db2.gz PXJOZOMZBMKZGE-SFHVURJKSA-N -1 3 398.846 4.184 50 10 GICAHM Cc1cccc(C)c1OC[C@H](O)CN(Cc1ccco1)Cc1ccccc1[O-] ZINC000003394621 204003919 /nfs/dbraw/zinc/00/39/19/204003919.db2.gz RGFCWQWKWVGKDB-HXUWFJFHSA-N -1 3 381.472 4.044 50 10 GICAHM CC(=O)[N-]C1=NC(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)S1 ZINC000004590949 204055539 /nfs/dbraw/zinc/05/55/39/204055539.db2.gz GQDIFUFXGLKIFO-YVLHZVERSA-N -1 3 386.860 4.025 50 10 GICAHM CN1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccccc3[O-])=NN12 ZINC000010213941 221098933 /nfs/dbraw/zinc/09/89/33/221098933.db2.gz OOAGJSCROSWCHQ-SFHVURJKSA-N -1 3 383.879 4.011 50 10 GICAHM COc1ccc(OC)c(C(=O)c2coc3ccc([O-])c(CN4CCCCC4)c23)c1 ZINC000001061860 570239435 /nfs/dbraw/zinc/23/94/35/570239435.db2.gz DIGFTJQVGUPEGD-UHFFFAOYSA-N -1 3 395.455 4.373 50 10 GICAHM O=C1/C(=C/c2cc(Br)ccc2[O-])SC(=S)N1Cc1ccco1 ZINC000001149750 570248795 /nfs/dbraw/zinc/24/87/95/570248795.db2.gz GOUVAUFKIPCJFR-QPEQYQDCSA-N -1 3 396.287 4.149 50 10 GICAHM COc1ccc(N2C(=O)/C(=C/c3cc(Cl)ccc3[O-])SC2=S)cc1 ZINC000001013897 570746843 /nfs/dbraw/zinc/74/68/43/570746843.db2.gz XOPARXSWOVWANR-DHDCSXOGSA-N -1 3 377.874 4.460 50 10 GICAHM [O-]c1cc(C2=Nn3c(nnc3-c3ccc(Cl)cc3Cl)SC2)ccc1O ZINC000004598318 204057226 /nfs/dbraw/zinc/05/72/26/204057226.db2.gz KCDUBYRLOMJRPL-UHFFFAOYSA-N -1 3 393.255 4.021 50 10 GICAHM CN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cc(Cl)ccc3[O-])=NN12 ZINC000010214098 204331033 /nfs/dbraw/zinc/33/10/33/204331033.db2.gz IWFACBCYJJVIQM-GOSISDBHSA-N -1 3 383.879 4.011 50 10 GICAHM Cc1ccccc1[C@@H]1CC(c2ccccc2[O-])=NN1S(=O)(=O)c1ccccc1 ZINC000023042547 570341288 /nfs/dbraw/zinc/34/12/88/570341288.db2.gz JWXFTIQFZKRXNK-NRFANRHFSA-N -1 3 392.480 4.241 50 10 GICAHM Cc1ccc([C@@H](c2cc(Cl)c3cccnc3c2[O-])N2CCN(C)CC2)cc1 ZINC000022861018 570558464 /nfs/dbraw/zinc/55/84/64/570558464.db2.gz SMBVLTDYPBOIRN-NRFANRHFSA-N -1 3 381.907 4.239 50 10 GICAHM COc1ccc([C@H](NC(=O)c2ccccc2)c2ccc3cccnc3c2[O-])cc1 ZINC000001216415 570814868 /nfs/dbraw/zinc/81/48/68/570814868.db2.gz UNCSTXORGBARFG-NRFANRHFSA-N -1 3 384.435 4.468 50 10 GICAHM [O-]c1c(O)c(O)ccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN21 ZINC000015016246 570871923 /nfs/dbraw/zinc/87/19/23/570871923.db2.gz YDGZZKGWZWGXJA-VLIAUNLRSA-N -1 3 380.425 4.107 50 10 GICAHM COc1cccc([C@@H](NC(=O)c2ccccc2)c2ccc3cccnc3c2[O-])c1 ZINC000004949819 204096479 /nfs/dbraw/zinc/09/64/79/204096479.db2.gz GTGIZKMPVSADPH-OAQYLSRUSA-N -1 3 384.435 4.468 50 10 GICAHM COc1cc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4[O-])=NN32)ccc1O ZINC000006721612 204193975 /nfs/dbraw/zinc/19/39/75/204193975.db2.gz STUHSFOQOSLBEY-MBSDFSHPSA-N -1 3 388.423 4.349 50 10 GICAHM O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1ccccc1[O-] ZINC000009188918 204302042 /nfs/dbraw/zinc/30/20/42/204302042.db2.gz QNCQQSGCSRAUGW-HKWRFOASSA-N -1 3 378.497 4.317 50 10 GICAHM COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1[O-] ZINC000000974629 570232585 /nfs/dbraw/zinc/23/25/85/570232585.db2.gz QDJWOLKXPNJPAH-ZROIWOOFSA-N -1 3 377.874 4.460 50 10 GICAHM CCS(=O)(=O)Nc1cc(Sc2nc3ccccc3s2)c([O-])cc1C ZINC000011635035 570242979 /nfs/dbraw/zinc/24/29/79/570242979.db2.gz DRQQGYPWODRLFC-UHFFFAOYSA-N -1 3 380.516 4.223 50 10 GICAHM CCCC(=O)N[C@@H](c1ccc2c(c1)OCO2)c1cc(Cl)c2cccnc2c1[O-] ZINC000000801076 570341756 /nfs/dbraw/zinc/34/17/56/570341756.db2.gz BIQMEYCMAGHOEQ-IBGZPJMESA-N -1 3 398.846 4.328 50 10 GICAHM [O-]c1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1ccc2c(c1)OCO2 ZINC000102907269 570870998 /nfs/dbraw/zinc/87/09/98/570870998.db2.gz LTXISQBKRVUWGH-FDDCHVKYSA-N -1 3 386.407 4.363 50 10 GICAHM [O-]c1cc(C2=Nn3c(nnc3-c3ccc(Cl)c(Cl)c3)SC2)ccc1O ZINC000004598346 204056573 /nfs/dbraw/zinc/05/65/73/204056573.db2.gz MFYZZFHCAZINJS-UHFFFAOYSA-N -1 3 393.255 4.021 50 10 GICAHM COc1ccc(C(=O)[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)c(OC)c1 ZINC000012074794 221148739 /nfs/dbraw/zinc/14/87/39/221148739.db2.gz SKSCJXHJCNFGIP-AWEZNQCLSA-N -1 3 389.879 4.158 50 10 GICAHM [O-]c1c(CN2CCN(c3ncccn3)CC2)cc(Cl)cc1C1CCCCC1 ZINC000048289561 570228276 /nfs/dbraw/zinc/22/82/76/570228276.db2.gz BTSBKZVUWATIKZ-UHFFFAOYSA-N -1 3 386.927 4.206 50 10 GICAHM Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000001115225 570243156 /nfs/dbraw/zinc/24/31/56/570243156.db2.gz ASWUNVRRZQPQFS-MKMNVTDBSA-N -1 3 395.253 4.320 50 10 GICAHM COC(=O)c1cc2ccccc2c(CN2CCO[C@H](c3ccc(F)cc3)C2)c1[O-] ZINC000029886847 570481713 /nfs/dbraw/zinc/48/17/13/570481713.db2.gz ARDYANRFYCWXIA-NRFANRHFSA-N -1 3 395.430 4.045 50 10 GICAHM C[C@@H](C(=O)N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21)c1cnn(C)c1 ZINC000170654490 571000131 /nfs/dbraw/zinc/00/01/31/571000131.db2.gz SRRNEVOMLLXHFZ-MWTRTKDXSA-N -1 3 385.467 4.288 50 10 GICAHM C[C@H](C(=O)N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21)c1cnn(C)c1 ZINC000170654488 571000202 /nfs/dbraw/zinc/00/02/02/571000202.db2.gz SRRNEVOMLLXHFZ-HJPURHCSSA-N -1 3 385.467 4.288 50 10 GICAHM CCOc1cccc2c1O[C@H](c1ccncc1)N1N=C(c3ccccc3[O-])C[C@H]21 ZINC000010215870 206374759 /nfs/dbraw/zinc/37/47/59/206374759.db2.gz DSUXZMFAJHEAQV-AUSIDOKSSA-N -1 3 387.439 4.428 50 10 GICAHM COc1cc(/C=C2\SC(c3ccccc3)=NC2=O)cc(Br)c1[O-] ZINC000015018334 207041216 /nfs/dbraw/zinc/04/12/16/207041216.db2.gz BMSBGXZLQDVEME-ZROIWOOFSA-N -1 3 390.258 4.224 50 10 GICAHM O=C(c1ccc(Cl)cc1)N1CCN(Cc2c([O-])ccc3ccccc32)CC1 ZINC000025474452 207304793 /nfs/dbraw/zinc/30/47/93/207304793.db2.gz LPKQOWBXAOLQJC-UHFFFAOYSA-N -1 3 380.875 4.157 50 10 GICAHM CCCCC(=O)N[C@@H](c1ccc(N(C)C)cc1)c1ccc2cccnc2c1[O-] ZINC000004903379 570360807 /nfs/dbraw/zinc/36/08/07/570360807.db2.gz QFCCYBSDVVCERY-NRFANRHFSA-N -1 3 377.488 4.402 50 10 GICAHM [O-]c1ccc(Cl)cc1CN1CCOc2c(O)cc(-c3cccnc3)cc2C1 ZINC000012100090 818142014 /nfs/dbraw/zinc/14/20/14/818142014.db2.gz GZPJXFUSNVXBDC-UHFFFAOYSA-N -1 3 382.847 4.208 50 10 GICAHM COc1ccc(-c2c(C)oc3c(ccc([O-])c3CN3CCCC3)c2=O)cc1OC ZINC000020411321 206297090 /nfs/dbraw/zinc/29/70/90/206297090.db2.gz YXWMQHQHHDGNHI-UHFFFAOYSA-N -1 3 395.455 4.087 50 10 GICAHM COc1ccc([C@H](NC(=O)CC(C)C)c2ccc3cccnc3c2[O-])cc1OC ZINC000000801020 206322828 /nfs/dbraw/zinc/32/28/28/206322828.db2.gz PHCZZCIRGOHMGT-NRFANRHFSA-N -1 3 394.471 4.209 50 10 GICAHM COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1[O-] ZINC000013940612 207004900 /nfs/dbraw/zinc/00/49/00/207004900.db2.gz QDJWOLKXPNJPAH-NTEUORMPSA-N -1 3 377.874 4.460 50 10 GICAHM COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4[O-])=NN32)cc1O ZINC000020070654 207178034 /nfs/dbraw/zinc/17/80/34/207178034.db2.gz XUXHVKOEKKQXNG-WZONZLPQSA-N -1 3 388.423 4.349 50 10 GICAHM COc1cc(C=C2SC(Nc3ccc(C)cc3C)=NC2=O)cc(OC)c1[O-] ZINC000097990639 209016723 /nfs/dbraw/zinc/01/67/23/209016723.db2.gz YBTIKHRCTKQQAY-LICLKQGHSA-N -1 3 384.457 4.109 50 10 GICAHM O=[N+]([O-])c1ccc([C@@H](Nc2ncccc2O)c2ccc3cccnc3c2[O-])cc1 ZINC000049564994 570270008 /nfs/dbraw/zinc/27/00/08/570270008.db2.gz XUWBUPJKQGWMNX-GOSISDBHSA-N -1 3 388.383 4.151 50 10 GICAHM CCOc1ccc([C@H]2CC(c3ccccc3[O-])=NN2C(=O)c2ccco2)cc1 ZINC000004942492 570377659 /nfs/dbraw/zinc/37/76/59/570377659.db2.gz IIUKCIZGGKGRKG-LJQANCHMSA-N -1 3 376.412 4.375 50 10 GICAHM COc1cc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4[O-])=NN32)ccc1O ZINC000006721611 570550441 /nfs/dbraw/zinc/55/04/41/570550441.db2.gz STUHSFOQOSLBEY-FDDCHVKYSA-N -1 3 388.423 4.349 50 10 GICAHM Cc1nn(C)c(C)c1[C@H]1CC(c2ccccc2[O-])=NN1c1ccc([N+](=O)[O-])cc1 ZINC000071785173 570572835 /nfs/dbraw/zinc/57/28/35/570572835.db2.gz DHOBJPDWPGIFJO-LJQANCHMSA-N -1 3 391.431 4.006 50 10 GICAHM CCCOCc1cc(CN2CCN(c3ccccc3)CC2)c([O-])c2ncccc12 ZINC000006804064 570606215 /nfs/dbraw/zinc/60/62/15/570606215.db2.gz QTNAAKNLUFHMQR-UHFFFAOYSA-N -1 3 391.515 4.189 50 10 GICAHM CC(=O)[N-]C1=NC(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)S1 ZINC000004672809 570819647 /nfs/dbraw/zinc/81/96/47/570819647.db2.gz LMBNQXWLQDOKHB-YVLHZVERSA-N -1 3 386.860 4.025 50 10 GICAHM CN(C)c1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2[O-])cc1 ZINC000004793214 570993091 /nfs/dbraw/zinc/99/30/91/570993091.db2.gz ZRYOKRLEQPTREW-DTQAZKPQSA-N -1 3 383.451 4.328 50 10 GICAHM COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1[O-] ZINC000001177531 206363953 /nfs/dbraw/zinc/36/39/53/206363953.db2.gz BTWRWRYLPHPOMS-OQLLNIDSSA-N -1 3 391.901 4.456 50 10 GICAHM O=C([N-]N1C(=O)/C(=C\C=C\c2ccco2)SC1=S)c1ccccc1Cl ZINC000016672866 207075431 /nfs/dbraw/zinc/07/54/31/207075431.db2.gz ANDJBEKHKKRRAO-HNBAAQFOSA-N -1 3 390.873 4.035 50 10 GICAHM [O-]c1c([C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)ccc2cccnc21 ZINC000019680916 207149465 /nfs/dbraw/zinc/14/94/65/207149465.db2.gz HCJRDVCEUFLOHP-IBGZPJMESA-N -1 3 388.389 4.381 50 10 GICAHM COC(=O)c1ccc([C@H]2N=C(c3cccs3)C[C@@H](c3ccccc3[O-])N2)cc1 ZINC000020763793 207213071 /nfs/dbraw/zinc/21/30/71/207213071.db2.gz WFBPUVKZXHRVHX-LAUBAEHRSA-N -1 3 392.480 4.463 50 10 GICAHM CCCC(=O)N[C@H](c1ccc2c(c1)OCO2)c1cc(Cl)c2cccnc2c1[O-] ZINC000000801077 570341797 /nfs/dbraw/zinc/34/17/97/570341797.db2.gz BIQMEYCMAGHOEQ-LJQANCHMSA-N -1 3 398.846 4.328 50 10 GICAHM COc1ccccc1[C@@H](NC(=O)Cc1ccccc1)c1ccc2cccnc2c1[O-] ZINC000004903388 570360639 /nfs/dbraw/zinc/36/06/39/570360639.db2.gz HLYAFBMYQJXBDZ-XMMPIXPASA-N -1 3 398.462 4.397 50 10 GICAHM COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4[O-])=NN32)cc1O ZINC000006721610 570550212 /nfs/dbraw/zinc/55/02/12/570550212.db2.gz XUXHVKOEKKQXNG-MBSDFSHPSA-N -1 3 388.423 4.349 50 10 GICAHM COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc(Cl)c1[O-] ZINC000012418334 570657414 /nfs/dbraw/zinc/65/74/14/570657414.db2.gz WRHBZNKYFURQEE-QPEQYQDCSA-N -1 3 381.862 4.049 50 10 GICAHM CCc1cc2c(=O)c(-c3nc(C)cs3)c(N)oc2c(CN2CCCCC2)c1[O-] ZINC000000795543 206290401 /nfs/dbraw/zinc/29/04/01/206290401.db2.gz YKBJGQYYLBBRCX-UHFFFAOYSA-N -1 3 399.516 4.061 50 10 GICAHM O=C(CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccccc1[O-] ZINC000001298816 206371291 /nfs/dbraw/zinc/37/12/91/206371291.db2.gz RAMDEYBXJWGGCT-LGMDPLHJSA-N -1 3 398.509 4.012 50 10 GICAHM O=S(=O)([N-]Cc1ccc(N2CCCC2)cc1)c1cc(Cl)ccc1Cl ZINC000010113622 206374807 /nfs/dbraw/zinc/37/48/07/206374807.db2.gz KVNMYGGHHQHOCQ-UHFFFAOYSA-N -1 3 385.316 4.072 50 10 GICAHM O=C1/C(=C/c2cc(Cl)ccc2[O-])SC(=S)N1CCc1ccccc1 ZINC000001164884 206362195 /nfs/dbraw/zinc/36/21/95/206362195.db2.gz ZNARFIOUWNTDPY-WJDWOHSUSA-N -1 3 375.902 4.490 50 10 GICAHM CCOc1cccc2c1O[C@@H](c1ccccn1)N1N=C(c3ccccc3[O-])C[C@@H]21 ZINC000227486629 209000793 /nfs/dbraw/zinc/00/07/93/209000793.db2.gz PQCBAEKHVSITLM-CVDCTZTESA-N -1 3 387.439 4.428 50 10 GICAHM Cc1oc2c(C)c([O-])c(CN(C)C)cc2c(=O)c1-c1cnn(-c2ccccc2)c1 ZINC000004172024 570360850 /nfs/dbraw/zinc/36/08/50/570360850.db2.gz NTHSIVCAFSRNGA-UHFFFAOYSA-N -1 3 389.455 4.030 50 10 GICAHM [O-]c1cc2[nH]c3ccccc3c2cc1CN1CCN(c2ccccc2F)CC1 ZINC000012555801 570858411 /nfs/dbraw/zinc/85/84/11/570858411.db2.gz BIHAGALSUCQBHM-UHFFFAOYSA-N -1 3 375.447 4.488 50 10 GICAHM COc1ccc(-c2c(C)oc3c(ccc([O-])c3CN3CCCCC3)c2=O)cc1 ZINC000020411796 206296055 /nfs/dbraw/zinc/29/60/55/206296055.db2.gz WBDTUABZFUZSHE-UHFFFAOYSA-N -1 3 379.456 4.469 50 10 GICAHM COc1ccccc1[C@H](NC(=O)C(C)C)c1cc(Cl)c2cccnc2c1[O-] ZINC000000801082 206323372 /nfs/dbraw/zinc/32/33/72/206323372.db2.gz AIHIZRKOSJIJRP-SFHVURJKSA-N -1 3 384.863 4.464 50 10 GICAHM Cc1oc2ccc([O-])c(CN3CCOCC3)c2c1C(=O)Nc1ccc(C)cc1C ZINC000019793996 207162284 /nfs/dbraw/zinc/16/22/84/207162284.db2.gz ZUSCIHIGBPDVHI-UHFFFAOYSA-N -1 3 394.471 4.148 50 10 GICAHM COc1cc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4[O-])=NN32)ccc1O ZINC000020070662 207178214 /nfs/dbraw/zinc/17/82/14/207178214.db2.gz STUHSFOQOSLBEY-WZONZLPQSA-N -1 3 388.423 4.349 50 10 GICAHM O=[N+]([O-])c1ccc([C@H](Nc2ncccc2O)c2ccc3cccnc3c2[O-])cc1 ZINC000049564996 208454302 /nfs/dbraw/zinc/45/43/02/208454302.db2.gz XUWBUPJKQGWMNX-SFHVURJKSA-N -1 3 388.383 4.151 50 10 GICAHM COc1cccc(C2=NC(C)(C)N[C@H](c3cc(Br)ccc3[O-])C2)c1 ZINC000004729715 570884480 /nfs/dbraw/zinc/88/44/80/570884480.db2.gz BEJCJRYKASXBQI-KRWDZBQOSA-N -1 3 389.293 4.423 50 10 GICAHM CN(c1ccc(CNC(=O)c2c[n-]c3ccccc3c2=O)cc1)C1CCCCC1 ZINC000083868088 570974687 /nfs/dbraw/zinc/97/46/87/570974687.db2.gz WDLFVXCXKWAGMF-UHFFFAOYSA-N -1 3 389.499 4.227 50 10 GICAHM CCN(CC)Cc1c([O-])ccc2c(=O)c(Oc3ccccc3OC)c(C)oc21 ZINC000020438630 206295969 /nfs/dbraw/zinc/29/59/69/206295969.db2.gz CEXUXZXFAAECPA-UHFFFAOYSA-N -1 3 383.444 4.450 50 10 GICAHM COc1cccc(Oc2coc3c(ccc([O-])c3CN3CCCCC3)c2=O)c1 ZINC000020442504 206296235 /nfs/dbraw/zinc/29/62/35/206296235.db2.gz HRCJEWAPAJLIRA-UHFFFAOYSA-N -1 3 381.428 4.285 50 10 GICAHM CCc1cc2c(=O)c(-c3nc4ccccc4[nH]3)coc2c(CN(CC)CC)c1[O-] ZINC000000870794 206330801 /nfs/dbraw/zinc/33/08/01/206330801.db2.gz ORWZCPHFOPHWOH-UHFFFAOYSA-N -1 3 391.471 4.446 50 10 GICAHM COc1ccc([C@@H](NC(=O)c2ccccc2)c2ccc3cccnc3c2[O-])cc1 ZINC000001216419 206368281 /nfs/dbraw/zinc/36/82/81/206368281.db2.gz UNCSTXORGBARFG-OAQYLSRUSA-N -1 3 384.435 4.468 50 10 GICAHM COc1cc([O-])c(CN2CCC[C@H](C)C2)c2oc(-c3ccccc3)cc(=O)c12 ZINC000013623872 570763361 /nfs/dbraw/zinc/76/33/61/570763361.db2.gz OKRRRPUAENUYAD-HNNXBMFYSA-N -1 3 379.456 4.406 50 10 GICAHM CC(=O)[N-]C1=NC(=O)/C(=C/c2cc(Cl)ccc2OCc2ccccc2)S1 ZINC000004675497 570821926 /nfs/dbraw/zinc/82/19/26/570821926.db2.gz HOOCPRJPDQPSDF-YVLHZVERSA-N -1 3 386.860 4.025 50 10 GICAHM CCCCC(=O)N[C@H](c1cccc([N+](=O)[O-])c1)c1ccc2cccnc2c1[O-] ZINC000004903377 570360616 /nfs/dbraw/zinc/36/06/16/570360616.db2.gz IKZCVITWOLNCTJ-LJQANCHMSA-N -1 3 379.416 4.244 50 10 GICAHM CC(=O)Nc1ccc(N[C@@H](c2ccccn2)c2ccc3cccnc3c2[O-])cc1 ZINC000002696945 570504753 /nfs/dbraw/zinc/50/47/53/570504753.db2.gz BEJFDYGEELBTJF-JOCHJYFZSA-N -1 3 384.439 4.495 50 10 GICAHM O=c1oc2c(ccc([O-])c2CNCc2cccc(C(F)(F)F)c2)c2c1CCC2 ZINC000006760345 570575245 /nfs/dbraw/zinc/57/52/45/570575245.db2.gz ZYBKHCHYTJHFCT-UHFFFAOYSA-N -1 3 389.373 4.296 50 10 GICAHM CCc1ccc(NC2=NC(=O)C(=Cc3cc(OC)c([O-])c(OC)c3)S2)cc1 ZINC000005695240 570813289 /nfs/dbraw/zinc/81/32/89/570813289.db2.gz MDHXRSDCPWIQIZ-GZTJUZNOSA-N -1 3 384.457 4.054 50 10 GICAHM CCOC(=O)c1c(C)oc2c1c(CN1C[C@H](C)O[C@@H](C)C1)c([O-])c1ccccc21 ZINC000023224597 570987918 /nfs/dbraw/zinc/98/79/18/570987918.db2.gz VNYPUKLNLDKLDW-KBPBESRZSA-N -1 3 397.471 4.386 50 10 GICAHM CCOc1cccc2c1O[C@@H](c1cccnc1)N1N=C(c3ccccc3[O-])C[C@@H]21 ZINC000227486613 206259972 /nfs/dbraw/zinc/25/99/72/206259972.db2.gz BBPGRYHTHQBEIY-CVDCTZTESA-N -1 3 387.439 4.428 50 10 GICAHM COc1ccc([C@@H](NC(=O)C(C)C)c2c([O-])ccc3ccccc32)cc1OC ZINC000000855804 206327417 /nfs/dbraw/zinc/32/74/17/206327417.db2.gz JWVIJOBQVJZQBC-JOCHJYFZSA-N -1 3 379.456 4.424 50 10 GICAHM CCOc1cccc2c1O[C@@H](c1ccncc1)N1N=C(c3ccccc3[O-])C[C@H]21 ZINC000010215877 206374078 /nfs/dbraw/zinc/37/40/78/206374078.db2.gz DSUXZMFAJHEAQV-XXBNENTESA-N -1 3 387.439 4.428 50 10 GICAHM C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)ccc2[O-])N3)C1 ZINC000017083555 207085102 /nfs/dbraw/zinc/08/51/02/207085102.db2.gz HSCXIOBLWYERFL-VXJOIVPMSA-N -1 3 393.306 4.195 50 10 GICAHM Cc1c([O-])c(CNCc2c(F)cccc2Cl)cc2c3c(c(=O)oc12)CCC3 ZINC000006669957 570528214 /nfs/dbraw/zinc/52/82/14/570528214.db2.gz FUMMITBLTKQSPU-UHFFFAOYSA-N -1 3 387.838 4.378 50 10 GICAHM Cc1ccc(C)c(N2CCN(Cc3cc(Br)ccc3[O-])CC2)c1 ZINC000053184655 570674139 /nfs/dbraw/zinc/67/41/39/570674139.db2.gz PNXGTIMRVWTPRC-UHFFFAOYSA-N -1 3 375.310 4.094 50 10 GICAHM Cc1cc([N-]S(=O)(=O)c2ccccc2)c(C(C)C)c(Br)c1O ZINC000000947566 570734769 /nfs/dbraw/zinc/73/47/69/570734769.db2.gz AKYSZNCRWRUZRE-UHFFFAOYSA-N -1 3 384.295 4.387 50 10 GICAHM CN1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccccc3[O-])=NN12 ZINC000010213945 209321328 /nfs/dbraw/zinc/32/13/28/209321328.db2.gz OOAGJSCROSWCHQ-GOSISDBHSA-N -1 3 383.879 4.011 50 10 GICAHM COc1cccc(Oc2c(C)oc3c(ccc([O-])c3CN3CCCC3)c2=O)c1 ZINC000020444434 209235869 /nfs/dbraw/zinc/23/58/69/209235869.db2.gz RHGHWEFICNJBNK-UHFFFAOYSA-N -1 3 381.428 4.204 50 10 GICAHM [O-]c1ccc(Br)cc1CN1CCN(Cc2cccc(Cl)c2)CC1 ZINC000097840729 211374732 /nfs/dbraw/zinc/37/47/32/211374732.db2.gz PQXCVXZEYFMBBF-UHFFFAOYSA-N -1 3 395.728 4.126 50 10 GICAHM [O-]c1c([C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)ccc2cccnc21 ZINC000019680919 210282284 /nfs/dbraw/zinc/28/22/84/210282284.db2.gz HCJRDVCEUFLOHP-LJQANCHMSA-N -1 3 388.389 4.381 50 10 GICAHM COc1cccc(C2=NC(C)(C)N[C@@H](c3cc(Br)ccc3[O-])C2)c1 ZINC000004729716 570884612 /nfs/dbraw/zinc/88/46/12/570884612.db2.gz BEJCJRYKASXBQI-QGZVFWFLSA-N -1 3 389.293 4.423 50 10 GICAHM COc1ccc2ccc([O-])c(CN3CCCc4cc(C(=O)N(C)C)ccc43)c2c1 ZINC000083847531 570968523 /nfs/dbraw/zinc/96/85/23/570968523.db2.gz JUULQGRZJSJGAT-UHFFFAOYSA-N -1 3 390.483 4.209 50 10 GICAHM CCc1ccc(CN2CCN(Cc3cc(Br)ccc3[O-])CC2)cc1 ZINC000019361425 210244232 /nfs/dbraw/zinc/24/42/32/210244232.db2.gz QCCRBCNJDNFMEM-UHFFFAOYSA-N -1 3 389.337 4.035 50 10 GICAHM [O-]c1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@H]2c1ccc2c(c1)OCO2 ZINC000010215219 209321473 /nfs/dbraw/zinc/32/14/73/209321473.db2.gz LTXISQBKRVUWGH-MBSDFSHPSA-N -1 3 386.407 4.363 50 10 GICAHM COc1ccc([C@@H]2CC(c3ccc4ccccc4c3[O-])=NN2C(C)=O)cc1OC ZINC000001235439 209318057 /nfs/dbraw/zinc/31/80/57/209318057.db2.gz NBYYSHWZVCHIJM-FQEVSTJZSA-N -1 3 390.439 4.260 50 10 GICAHM Cc1cc(N[C@@H](c2cccc([N+](=O)[O-])c2)c2ccc3cccnc3c2[O-])no1 ZINC000000946887 209282581 /nfs/dbraw/zinc/28/25/81/209282581.db2.gz IMWNEYJBYYRRFU-SFHVURJKSA-N -1 3 376.372 4.347 50 10 GICAHM COc1ccc(-c2coc3c(ccc([O-])c3CN3CCC[C@H](C)C3)c2=O)cc1 ZINC000020411252 209236196 /nfs/dbraw/zinc/23/61/96/209236196.db2.gz KOPBLZZKBBVHNB-HNNXBMFYSA-N -1 3 379.456 4.406 50 10 GICAHM COc1ccc(-c2coc3c(ccc([O-])c3CN3CCC(C)CC3)c2=O)cc1 ZINC000020412097 209235149 /nfs/dbraw/zinc/23/51/49/209235149.db2.gz SBXQZJQPCFPOEO-UHFFFAOYSA-N -1 3 379.456 4.406 50 10 GICAHM COc1ccccc1[C@H](NC(=O)Cc1ccccc1)c1ccc2cccnc2c1[O-] ZINC000004903387 570360773 /nfs/dbraw/zinc/36/07/73/570360773.db2.gz HLYAFBMYQJXBDZ-DEOSSOPVSA-N -1 3 398.462 4.397 50 10 GICAHM COc1ccc(-c2coc3c(ccc([O-])c3CN3CCC[C@@H](C)C3)c2=O)cc1 ZINC000020411250 209234622 /nfs/dbraw/zinc/23/46/22/209234622.db2.gz KOPBLZZKBBVHNB-OAHLLOKOSA-N -1 3 379.456 4.406 50 10 GICAHM COC(=O)c1ccc([C@H]2N=C(c3cccs3)C[C@H](c3ccccc3[O-])N2)cc1 ZINC000020763784 210361602 /nfs/dbraw/zinc/36/16/02/210361602.db2.gz WFBPUVKZXHRVHX-DYESRHJHSA-N -1 3 392.480 4.463 50 10 GICAHM CCCCC(=O)N[C@@H](c1ccc(OC)c(OC)c1)c1ccc2cccnc2c1[O-] ZINC000004817566 570238265 /nfs/dbraw/zinc/23/82/65/570238265.db2.gz VVRFQSOMYLFRRY-NRFANRHFSA-N -1 3 394.471 4.353 50 10 GICAHM [O-]c1cc2[nH]c3ccccc3c2cc1CN1CCN(Cc2cccs2)CC1 ZINC000022788007 570327845 /nfs/dbraw/zinc/32/78/45/570327845.db2.gz GNHRNTISRPUZQY-UHFFFAOYSA-N -1 3 377.513 4.406 50 10 GICAHM O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1ccc([O-])cc1 ZINC000004575371 570385610 /nfs/dbraw/zinc/38/56/10/570385610.db2.gz CIVCREUNSOUETL-HKWRFOASSA-N -1 3 378.497 4.317 50 10 GICAHM COc1cccc2c1O[C@@H](c1ccc(O)cc1)N1N=C(c3ccccc3[O-])C[C@@H]21 ZINC000169681529 570601869 /nfs/dbraw/zinc/60/18/69/570601869.db2.gz AQBZPQHKMNOUDG-CVDCTZTESA-N -1 3 388.423 4.349 50 10 GICAHM O=C(CCCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccccc1[O-] ZINC000001298815 570956007 /nfs/dbraw/zinc/95/60/07/570956007.db2.gz RAMDEYBXJWGGCT-GHRIWEEISA-N -1 3 398.509 4.012 50 10 GICAHM C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)ccc2[O-])N3)C1 ZINC000017083552 210204946 /nfs/dbraw/zinc/20/49/46/210204946.db2.gz HSCXIOBLWYERFL-GLEZIHRCSA-N -1 3 393.306 4.195 50 10 GICAHM CCOc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc(Cl)c1[O-] ZINC000015011068 210143675 /nfs/dbraw/zinc/14/36/75/210143675.db2.gz YNGIUCUPKQURFJ-ZSOIEALJSA-N -1 3 395.889 4.439 50 10 GICAHM COc1ccccc1-c1coc2c(ccc([O-])c2CN2CCC[C@H](C)C2)c1=O ZINC000019682097 209235525 /nfs/dbraw/zinc/23/55/25/209235525.db2.gz BJQXCHURLJCSBA-HNNXBMFYSA-N -1 3 379.456 4.406 50 10 GICAHM CCOc1cccc([C@H]2CC(c3ccccc3[O-])=NN2C(=O)c2ccco2)c1 ZINC000089269914 211179050 /nfs/dbraw/zinc/17/90/50/211179050.db2.gz UPVSDLPJIJRRTR-LJQANCHMSA-N -1 3 376.412 4.375 50 10 GICAHM COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4[O-])=NN32)cc1O ZINC000020070651 210314335 /nfs/dbraw/zinc/31/43/35/210314335.db2.gz XUXHVKOEKKQXNG-JPYJTQIMSA-N -1 3 388.423 4.349 50 10 GICAHM Cc1nn(C)c(C)c1CC(=O)N[C@H](c1ccccc1)c1c([O-])ccc2ccccc21 ZINC000010888404 570350854 /nfs/dbraw/zinc/35/08/54/570350854.db2.gz JCUPDVMJYCWAHY-RUZDIDTESA-N -1 3 399.494 4.344 50 10 GICAHM COc1ccc(N2C(=O)/C(=C\c3cc(Cl)ccc3[O-])SC2=S)cc1 ZINC000004578425 570386026 /nfs/dbraw/zinc/38/60/26/570386026.db2.gz XOPARXSWOVWANR-OQLLNIDSSA-N -1 3 377.874 4.460 50 10 GICAHM Cc1c(Br)c(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000000939783 570731377 /nfs/dbraw/zinc/73/13/77/570731377.db2.gz ZKFXPAFCOFXCBK-UHFFFAOYSA-N -1 3 384.295 4.387 50 10 GICAHM Cc1cccc([C@@H]2CC(c3ccccc3[O-])=NN2S(=O)(=O)c2ccccc2)c1 ZINC000252491701 570973895 /nfs/dbraw/zinc/97/38/95/570973895.db2.gz LRDQDCUHFQTAJN-NRFANRHFSA-N -1 3 392.480 4.241 50 10 GICAHM CCOc1cccc2c1O[C@@H](c1ccccn1)N1N=C(c3ccccc3[O-])C[C@H]21 ZINC000010215892 209321656 /nfs/dbraw/zinc/32/16/56/209321656.db2.gz PQCBAEKHVSITLM-XXBNENTESA-N -1 3 387.439 4.428 50 10 GICAHM COc1ccccc1-c1coc2c(ccc([O-])c2CN2CCC[C@@H](C)C2)c1=O ZINC000019682094 209235102 /nfs/dbraw/zinc/23/51/02/209235102.db2.gz BJQXCHURLJCSBA-OAHLLOKOSA-N -1 3 379.456 4.406 50 10 GICAHM Cc1cc(Cl)cc(CN2CCc3c(ncn3CCc3ccccc3)C2)c1[O-] ZINC000096003716 211292658 /nfs/dbraw/zinc/29/26/58/211292658.db2.gz PSRWOPUGQLNUOK-UHFFFAOYSA-N -1 3 381.907 4.352 50 10 GICAHM O=C(CCNc1ncccn1)N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21 ZINC000048360807 210854305 /nfs/dbraw/zinc/85/43/05/210854305.db2.gz ZFDSNTXAKGYORK-QHCPKHFHSA-N -1 3 398.466 4.043 50 10 GICAHM COC(=O)c1cccc(N[C@H](c2cccnc2)c2ccc3cccnc3c2[O-])c1 ZINC000005009304 570395084 /nfs/dbraw/zinc/39/50/84/570395084.db2.gz ZCDVXXQDNJBRLV-HXUWFJFHSA-N -1 3 385.423 4.324 50 10 GICAHM COC(=O)c1cccc(N[C@@H](c2cccnc2)c2ccc3cccnc3c2[O-])c1 ZINC000005009303 570395088 /nfs/dbraw/zinc/39/50/88/570395088.db2.gz ZCDVXXQDNJBRLV-FQEVSTJZSA-N -1 3 385.423 4.324 50 10 GICAHM [O-]c1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@H]2c1ccc2c(c1)OCO2 ZINC000010215220 209321598 /nfs/dbraw/zinc/32/15/98/209321598.db2.gz LTXISQBKRVUWGH-JPYJTQIMSA-N -1 3 386.407 4.363 50 10 GICAHM COc1ccccc1[C@@H](NC(=O)C(C)C)c1cc(Cl)c2cccnc2c1[O-] ZINC000000801083 209267061 /nfs/dbraw/zinc/26/70/61/209267061.db2.gz AIHIZRKOSJIJRP-GOSISDBHSA-N -1 3 384.863 4.464 50 10 GICAHM CCOc1cccc2c1O[C@H](c1cccnc1)N1N=C(c3ccccc3[O-])C[C@@H]21 ZINC000227486620 209188148 /nfs/dbraw/zinc/18/81/48/209188148.db2.gz BBPGRYHTHQBEIY-WMZHIEFXSA-N -1 3 387.439 4.428 50 10 GICAHM CCN(CC)Cc1c([O-])ccc2c(=O)c(-c3ccc(OC)c(OC)c3)coc21 ZINC000020412627 210331915 /nfs/dbraw/zinc/33/19/15/210331915.db2.gz LQDBMTBXSWCQHZ-UHFFFAOYSA-N -1 3 383.444 4.025 50 10 GICAHM COc1ccccc1-c1coc2c(ccc([O-])c2CN2CCC(C)CC2)c1=O ZINC000019790380 210296560 /nfs/dbraw/zinc/29/65/60/210296560.db2.gz DIPBHKKCKVWICC-UHFFFAOYSA-N -1 3 379.456 4.406 50 10 GICAHM COc1ccc(-c2coc3c(CN4CCCCC4)c([O-])cc(C)c3c2=O)cc1 ZINC000011865256 221133521 /nfs/dbraw/zinc/13/35/21/221133521.db2.gz WISOSCCECFQFRB-UHFFFAOYSA-N -1 3 379.456 4.469 50 10 GICAHM CC(C)(C)c1ccc(-c2nnc3n2N=C(c2ccc(O)c([O-])c2)CS3)cc1 ZINC000005111709 570429784 /nfs/dbraw/zinc/42/97/84/570429784.db2.gz XBJPFSLYNLYOET-UHFFFAOYSA-N -1 3 380.473 4.012 50 10 GICAHM COC(=O)c1cc2ccccc2c(CN2CCO[C@@H](c3ccc(F)cc3)C2)c1[O-] ZINC000029886845 570481770 /nfs/dbraw/zinc/48/17/70/570481770.db2.gz ARDYANRFYCWXIA-OAQYLSRUSA-N -1 3 395.430 4.045 50 10 GICAHM Cc1ccc([C@H](c2cc(Cl)c3cccnc3c2[O-])N2CCN(C)CC2)cc1 ZINC000022861020 570558391 /nfs/dbraw/zinc/55/83/91/570558391.db2.gz SMBVLTDYPBOIRN-OAQYLSRUSA-N -1 3 381.907 4.239 50 10 GICAHM CC(=O)[N-]C1=NC(=O)/C(=C/c2ccccc2OCc2cccc(Cl)c2)S1 ZINC000004677080 570823262 /nfs/dbraw/zinc/82/32/62/570823262.db2.gz MQOSNWHGQLHJQD-YVLHZVERSA-N -1 3 386.860 4.025 50 10 GICAHM COc1cc([O-])c(CN2CCC[C@@H](C)C2)c2oc(-c3ccccc3)cc(=O)c12 ZINC000013623870 210072996 /nfs/dbraw/zinc/07/29/96/210072996.db2.gz OKRRRPUAENUYAD-OAHLLOKOSA-N -1 3 379.456 4.406 50 10 GICAHM CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(CN2CCCCC2)c1[O-] ZINC000002286207 209354905 /nfs/dbraw/zinc/35/49/05/209354905.db2.gz GGUPXZNQYOMNRH-UHFFFAOYSA-N -1 3 384.501 4.479 50 10 GICAHM Cc1ccccc1[C@H]1CC(c2ccccc2[O-])=NN1S(=O)(=O)c1ccccc1 ZINC000023042548 570341251 /nfs/dbraw/zinc/34/12/51/570341251.db2.gz JWXFTIQFZKRXNK-OAQYLSRUSA-N -1 3 392.480 4.241 50 10 GICAHM CCN(CC)Cc1c([O-])ccc2c(=O)c(-c3ccc(OC)c(OC)c3)c(C)oc21 ZINC000006937813 570712416 /nfs/dbraw/zinc/71/24/16/570712416.db2.gz XNXOLVHIFXKTSJ-UHFFFAOYSA-N -1 3 397.471 4.333 50 10 GICAHM COc1ccc([C@H](NC(=O)Cc2ccccc2)c2ccc3cccnc3c2[O-])cc1 ZINC000096602137 570774845 /nfs/dbraw/zinc/77/48/45/570774845.db2.gz BCKQJEPNHUHCRN-QHCPKHFHSA-N -1 3 398.462 4.397 50 10 GICAHM CC(=O)c1ccc(N2CCN(Cc3c([O-])ccc4ccccc43)CC2)c(F)c1 ZINC000012543908 570843982 /nfs/dbraw/zinc/84/39/82/570843982.db2.gz GOAUYVHGMGWNQI-UHFFFAOYSA-N -1 3 378.447 4.209 50 10 GICAHM COc1ccc(C(=O)c2coc3ccc([O-])c(CN4CCCCC4)c23)cc1OC ZINC000217958832 209184066 /nfs/dbraw/zinc/18/40/66/209184066.db2.gz CIJXGCJZIUSNEM-UHFFFAOYSA-N -1 3 395.455 4.373 50 10 GICAHM COC(=O)c1ccc2c(c1)CCCN2Cc1c([O-])ccc2ccc(OC)cc21 ZINC000083970362 570985814 /nfs/dbraw/zinc/98/58/14/570985814.db2.gz ZPVKUOOFJIPCMT-UHFFFAOYSA-N -1 3 377.440 4.293 50 10 GICAHM CC(=O)[N-]C1=NC(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)S1 ZINC000001121997 212220193 /nfs/dbraw/zinc/22/01/93/212220193.db2.gz YYOSLYNLDCAARF-YVLHZVERSA-N -1 3 386.860 4.025 50 10 GICAHM COc1ccc(-c2coc3c(ccc([O-])c3CN3CCCCC3)c2=O)cc1OC ZINC000020411602 212150945 /nfs/dbraw/zinc/15/09/45/212150945.db2.gz PSAMQSVEDFSMQJ-UHFFFAOYSA-N -1 3 395.455 4.169 50 10 GICAHM Cc1nn(C)c(C)c1CC(=O)N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21 ZINC000010888395 221108852 /nfs/dbraw/zinc/10/88/52/221108852.db2.gz JCUPDVMJYCWAHY-VWLOTQADSA-N -1 3 399.494 4.344 50 10 GICAHM [O-]c1c(O)c(O)ccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 ZINC000015016245 221326344 /nfs/dbraw/zinc/32/63/44/221326344.db2.gz YDGZZKGWZWGXJA-VBKZILBWSA-N -1 3 380.425 4.107 50 10 GICAHM COc1cc(Br)cc(/C=C2\SC(c3ccccc3)=NC2=O)c1[O-] ZINC000015015698 221326536 /nfs/dbraw/zinc/32/65/36/221326536.db2.gz DNZIKCRHBOAVMH-ZSOIEALJSA-N -1 3 390.258 4.224 50 10 GICAHM C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)ccc2[O-])N3)C1 ZINC000017083553 221379242 /nfs/dbraw/zinc/37/92/42/221379242.db2.gz HSCXIOBLWYERFL-AYVTZFPOSA-N -1 3 393.306 4.195 50 10 GICAHM CCOc1cccc2c1O[C@H](c1ccccn1)N1N=C(c3ccccc3[O-])C[C@H]21 ZINC000010215888 212238874 /nfs/dbraw/zinc/23/88/74/212238874.db2.gz PQCBAEKHVSITLM-AUSIDOKSSA-N -1 3 387.439 4.428 50 10 GICAHM CCOc1cccc2c1O[C@@H](c1ccncc1)N1N=C(c3ccccc3[O-])C[C@@H]21 ZINC000227486592 212116010 /nfs/dbraw/zinc/11/60/10/212116010.db2.gz DSUXZMFAJHEAQV-CVDCTZTESA-N -1 3 387.439 4.428 50 10 GICAHM O=C(CCNc1ncccn1)N[C@H](c1ccccc1)c1c([O-])ccc2ccccc21 ZINC000048360810 570243023 /nfs/dbraw/zinc/24/30/23/570243023.db2.gz ZFDSNTXAKGYORK-HSZRJFAPSA-N -1 3 398.466 4.043 50 10 GICAHM CCOc1ccc([C@@H]2CC(c3ccccc3[O-])=NN2C(=O)c2ccco2)cc1 ZINC000004942491 570377559 /nfs/dbraw/zinc/37/75/59/570377559.db2.gz IIUKCIZGGKGRKG-IBGZPJMESA-N -1 3 376.412 4.375 50 10 GICAHM [O-]c1ccc(Br)cc1CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000055292387 570690772 /nfs/dbraw/zinc/69/07/72/570690772.db2.gz YSBVGGQVFFASJR-UHFFFAOYSA-N -1 3 381.701 4.130 50 10 GICAHM [O-]c1ccc(Br)cc1CN1CCN(c2cccc(Cl)c2)CC1 ZINC000023281805 818920180 /nfs/dbraw/zinc/92/01/80/818920180.db2.gz AUFNFIHGFNPKOD-UHFFFAOYSA-N -1 3 381.701 4.130 50 10 GICAHM COc1ccc([C@H]2CC(c3ccc4ccccc4c3[O-])=NN2C(C)=O)cc1OC ZINC000001235438 212232423 /nfs/dbraw/zinc/23/24/23/212232423.db2.gz NBYYSHWZVCHIJM-HXUWFJFHSA-N -1 3 390.439 4.260 50 10 GICAHM O=c1oc2c(ccc([O-])c2CNCc2ccccn2)cc1-c1cc(F)cc(F)c1 ZINC000013722817 221284497 /nfs/dbraw/zinc/28/44/97/221284497.db2.gz OIWZACKSQGLUBE-UHFFFAOYSA-N -1 3 394.377 4.129 50 10 GICAHM CN(Cc1cc(=O)oc2cc([O-])c(O)cc12)C1c2ccccc2-c2ccccc21 ZINC000095996074 222368914 /nfs/dbraw/zinc/36/89/14/222368914.db2.gz NWOFEVFFURLTMG-UHFFFAOYSA-N -1 3 385.419 4.406 50 10 GICAHM CCCCC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1)c1ccc2cccnc2c1[O-] ZINC000004903376 570360567 /nfs/dbraw/zinc/36/05/67/570360567.db2.gz IKZCVITWOLNCTJ-IBGZPJMESA-N -1 3 379.416 4.244 50 10 GICAHM COc1ccc([C@@H](NC(=O)CC(C)C)c2ccc3cccnc3c2[O-])cc1OC ZINC000000801021 212182674 /nfs/dbraw/zinc/18/26/74/212182674.db2.gz PHCZZCIRGOHMGT-OAQYLSRUSA-N -1 3 394.471 4.209 50 10 GICAHM COc1ccc(Oc2coc3c(ccc([O-])c3CN3CCCCC3)c2=O)cc1 ZINC000020358382 212151254 /nfs/dbraw/zinc/15/12/54/212151254.db2.gz QBMLEMYKEVZDGO-UHFFFAOYSA-N -1 3 381.428 4.285 50 10 GICAHM CCn1cc([C@H]2CC(c3ccccc3[O-])=NN2c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000071785149 222196990 /nfs/dbraw/zinc/19/69/90/222196990.db2.gz ALURYFJQWDHASB-HXUWFJFHSA-N -1 3 391.431 4.181 50 10 GICAHM O=c1c(-c2nc3ccccc3s2)coc2c1ccc([O-])c2CN1CCCC1 ZINC000020228283 570249174 /nfs/dbraw/zinc/24/91/74/570249174.db2.gz BFZGVEBKRNNBIQ-UHFFFAOYSA-N -1 3 378.453 4.371 50 10 GICAHM O=C([N-]N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)c1ccccc1Cl ZINC000001236259 212232602 /nfs/dbraw/zinc/23/26/02/212232602.db2.gz HWDKXTRFTWRQIG-ZROIWOOFSA-N -1 3 392.864 4.025 50 10 GICAHM Cc1c([O-])ccc2c(CSc3ncc(-c4ccccc4)n3C)cc(=O)oc12 ZINC000009112163 212162903 /nfs/dbraw/zinc/16/29/03/212162903.db2.gz YYYPRIQZAMMLKC-UHFFFAOYSA-N -1 3 378.453 4.500 50 10 GICAHM CN(Cc1nnc(SCc2ccccc2Cl)n1C)Cc1ccccc1[O-] ZINC000064031746 222068835 /nfs/dbraw/zinc/06/88/35/222068835.db2.gz XUHNWBCERPSTNL-UHFFFAOYSA-N -1 3 388.924 4.098 50 10 GICAHM CCCCN(C)C(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(Cl)ccc1[O-] ZINC000019809338 570221233 /nfs/dbraw/zinc/22/12/33/570221233.db2.gz SOVKRGMGRQVHRJ-FQEVSTJZSA-N -1 3 386.923 4.231 50 10 GICAHM CC(C)OCc1cc(CN2CCN(c3ccccc3)CC2)c([O-])c2ncccc12 ZINC000006804067 570391875 /nfs/dbraw/zinc/39/18/75/570391875.db2.gz HSSXADRZUDGTHL-UHFFFAOYSA-N -1 3 391.515 4.188 50 10 GICAHM Cc1cc([N-]S(=O)(=O)c2ccccc2)cc(-c2nc3ccccc3o2)c1O ZINC000008992961 570545559 /nfs/dbraw/zinc/54/55/59/570545559.db2.gz OOHWJBAXKHVJPD-UHFFFAOYSA-N -1 3 380.425 4.310 50 10 GICAHM [O-]c1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@@H]2c1ccc2c(c1)OCO2 ZINC000102907272 570870829 /nfs/dbraw/zinc/87/08/29/570870829.db2.gz LTXISQBKRVUWGH-WZONZLPQSA-N -1 3 386.407 4.363 50 10 GICAHM Cc1cccc([C@H]2CC(c3ccccc3[O-])=NN2S(=O)(=O)c2ccccc2)c1 ZINC000252491702 570973973 /nfs/dbraw/zinc/97/39/73/570973973.db2.gz LRDQDCUHFQTAJN-OAQYLSRUSA-N -1 3 392.480 4.241 50 10 GICAHM CCOC(=O)c1c(C)oc2c1c(CN1C[C@@H](C)O[C@H](C)C1)c([O-])c1ccccc21 ZINC000023224598 570987931 /nfs/dbraw/zinc/98/79/31/570987931.db2.gz VNYPUKLNLDKLDW-ZIAGYGMSSA-N -1 3 397.471 4.386 50 10 GICAHM O=C1[N-]C(=Cc2cccn2-c2ccc(O)cc2)C(=O)N1c1cccc(Cl)c1 ZINC000009087225 221069868 /nfs/dbraw/zinc/06/98/68/221069868.db2.gz NWCAXWDKIMYGNI-LDADJPATSA-N -1 3 379.803 4.138 50 10 GICAHM CCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cc(Cl)ccc3[O-])=NN12 ZINC000010214104 221098854 /nfs/dbraw/zinc/09/88/54/221098854.db2.gz AVGHBEFAWAZLFK-LJQANCHMSA-N -1 3 397.906 4.401 50 10 GICAHM [O-]c1c(O)c(O)ccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 ZINC000015016244 221326390 /nfs/dbraw/zinc/32/63/90/221326390.db2.gz YDGZZKGWZWGXJA-XOBRGWDASA-N -1 3 380.425 4.107 50 10 GICAHM CCOc1cccc([C@@H]2CC(c3ccccc3[O-])=NN2C(=O)c2ccco2)c1 ZINC000089269912 222327533 /nfs/dbraw/zinc/32/75/33/222327533.db2.gz UPVSDLPJIJRRTR-IBGZPJMESA-N -1 3 376.412 4.375 50 10 GICAHM CCCCC(=O)N[C@H](c1ccc(OC)c(OC)c1)c1ccc2cccnc2c1[O-] ZINC000004817567 570238194 /nfs/dbraw/zinc/23/81/94/570238194.db2.gz VVRFQSOMYLFRRY-OAQYLSRUSA-N -1 3 394.471 4.353 50 10 GICAHM [O-]c1ccc2ccccc2c1CN1CCN(Cc2nc3ccccc3s2)CC1 ZINC000023257286 570353259 /nfs/dbraw/zinc/35/32/59/570353259.db2.gz VCWJHTVXFZPYBY-UHFFFAOYSA-N -1 3 389.524 4.473 50 10 GICAHM COc1ccccc1[C@H](NC(=O)c1ccccc1)c1ccc2cccnc2c1[O-] ZINC000001209705 570794042 /nfs/dbraw/zinc/79/40/42/570794042.db2.gz HZDPJEOGRSUVDG-QFIPXVFZSA-N -1 3 384.435 4.468 50 10 GICAHM CCCn1c(=O)[n-]nc1S[C@@H](C)C(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000005971777 570810578 /nfs/dbraw/zinc/81/05/78/570810578.db2.gz NMQSOKXXPISKHZ-HNNXBMFYSA-N -1 3 384.505 4.165 50 10 GICAHM C[C@@H](C(=O)N[C@H](c1ccccc1)c1c([O-])ccc2ccccc21)c1cnn(C)c1 ZINC000170654493 570999992 /nfs/dbraw/zinc/99/99/92/570999992.db2.gz SRRNEVOMLLXHFZ-WAIKUNEKSA-N -1 3 385.467 4.288 50 10 GICAHM [O-]c1c([C@H](c2ccc(Br)cc2)N2CCOCC2)ccc2cccnc21 ZINC000021554799 818703034 /nfs/dbraw/zinc/70/30/34/818703034.db2.gz SNCXLSBVBJAJHM-IBGZPJMESA-N -1 3 399.288 4.125 50 10 GICAHM CCN(CC)Cc1c([O-])ccc2c(=O)c(Oc3ccc(OC)cc3)c(C)oc21 ZINC000020358375 212150892 /nfs/dbraw/zinc/15/08/92/212150892.db2.gz KYCKSGJSQLDSLA-UHFFFAOYSA-N -1 3 383.444 4.450 50 10 GICAHM O=C([N-]N1C(=O)/C(=C/C=C/c2ccco2)SC1=S)c1ccccc1Cl ZINC000005477821 220874715 /nfs/dbraw/zinc/87/47/15/220874715.db2.gz ANDJBEKHKKRRAO-OXTPFRESSA-N -1 3 390.873 4.035 50 10 GICAHM CC(C)(C)C(=O)Nc1ccnn1C1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000012300466 221177389 /nfs/dbraw/zinc/17/73/89/221177389.db2.gz YAGFPYTUSJXVTH-UHFFFAOYSA-N -1 3 390.915 4.064 50 10 GICAHM [O-]c1c(O)c(O)ccc1[C@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN21 ZINC000015016247 221326524 /nfs/dbraw/zinc/32/65/24/221326524.db2.gz YDGZZKGWZWGXJA-JLTOFOAXSA-N -1 3 380.425 4.107 50 10 GICAHM CCCCC(=O)N[C@H](c1ccc(N(C)C)cc1)c1ccc2cccnc2c1[O-] ZINC000004903384 570360812 /nfs/dbraw/zinc/36/08/12/570360812.db2.gz QFCCYBSDVVCERY-OAQYLSRUSA-N -1 3 377.488 4.402 50 10 GICAHM COc1cccc2c1O[C@H](c1ccc(O)cc1)N1N=C(c3ccccc3[O-])C[C@H]21 ZINC000006721737 570550411 /nfs/dbraw/zinc/55/04/11/570550411.db2.gz AQBZPQHKMNOUDG-AUSIDOKSSA-N -1 3 388.423 4.349 50 10 GICAHM CCCn1c(=O)[n-]nc1S[C@H](C)C(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000005971779 570810591 /nfs/dbraw/zinc/81/05/91/570810591.db2.gz NMQSOKXXPISKHZ-OAHLLOKOSA-N -1 3 384.505 4.165 50 10 GICAHM CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1c([O-])ccc3ccccc31)C2=O ZINC000019318794 570974593 /nfs/dbraw/zinc/97/45/93/570974593.db2.gz YGTKICZXXMIYNK-UHFFFAOYSA-N -1 3 378.516 4.043 50 10 GICAHM CCCC12CN3CC(CCC)(CN(C1)C3c1c([O-])ccc3ccccc31)C2=O ZINC000019323924 570974669 /nfs/dbraw/zinc/97/46/69/570974669.db2.gz NCCRYCXZZZTPHV-UHFFFAOYSA-N -1 3 378.516 4.331 50 10 GICAHM C[C@H](C(=O)N[C@H](c1ccccc1)c1c([O-])ccc2ccccc21)c1cnn(C)c1 ZINC000170654492 571000082 /nfs/dbraw/zinc/00/00/82/571000082.db2.gz SRRNEVOMLLXHFZ-QMHKHESXSA-N -1 3 385.467 4.288 50 10 GICAHM COC(=O)c1cccc(N[C@@H](c2ccccn2)c2ccc3cccnc3c2[O-])c1 ZINC000013816199 221290296 /nfs/dbraw/zinc/29/02/96/221290296.db2.gz DGFMSPNSKHGNIQ-OAQYLSRUSA-N -1 3 385.423 4.324 50 10 GICAHM CCOC(=O)c1c(C)oc2c1c(CN1C[C@@H](C)O[C@@H](C)C1)c([O-])c1ccccc21 ZINC000015227371 221333992 /nfs/dbraw/zinc/33/39/92/221333992.db2.gz VNYPUKLNLDKLDW-OKILXGFUSA-N -1 3 397.471 4.386 50 10 GICAHM Cc1cccc(N2CCN(Cc3cc(Br)ccc3[O-])CC2)c1C ZINC000053175277 136177518 /nfs/dbraw/zinc/17/75/18/136177518.db2.gz ZQPDRSZLRAKKNO-UHFFFAOYSA-N -1 3 375.310 4.094 50 10 GICAHM CC(=O)Nc1ccc(N[C@H](c2ccccn2)c2ccc3cccnc3c2[O-])cc1 ZINC000002696940 570504922 /nfs/dbraw/zinc/50/49/22/570504922.db2.gz BEJFDYGEELBTJF-QFIPXVFZSA-N -1 3 384.439 4.495 50 10 GICAHM [O-]c1ccc(Br)cc1CN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000019364014 570979371 /nfs/dbraw/zinc/97/93/71/570979371.db2.gz UDBUKNAECQQGSK-UHFFFAOYSA-N -1 3 395.728 4.126 50 10 GICAHM