smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Clc1ccc(-c2nc(CN[C@H]3C[C@H]4CC[C@@H]3C4)co2)cc1 ZINC000072100905 191037169 /nfs/dbraw/zinc/03/71/69/191037169.db2.gz AKDFDVCGXYEKST-GHJWDPDVSA-N 0 3 302.805 4.273 1 0 DIAFHN C[C@@H]1CCC[C@@H](NCc2coc(-c3cccc(F)c3)n2)[C@@H]1C ZINC000072185402 191073526 /nfs/dbraw/zinc/07/35/26/191073526.db2.gz WHJHXMHDRVHNNE-PBFPGSCMSA-N 0 3 302.393 4.395 1 0 DIAFHN FC[C@@H]1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21 ZINC000073169958 191288471 /nfs/dbraw/zinc/28/84/71/191288471.db2.gz XTXVTJGNOBELJF-IBGZPJMESA-N 0 3 311.400 4.219 1 0 DIAFHN C[C@@H]1Cc2c3ccccc3[nH]c2Cc2ccccc2CCN1C ZINC000073198604 191291356 /nfs/dbraw/zinc/29/13/56/191291356.db2.gz WQPRXYGVHKQNOH-OAHLLOKOSA-N 0 3 304.437 4.178 1 0 DIAFHN CCN(CCN(C)C)c1cc(-c2ccccc2)nc2ccccc21 ZINC000006384884 181336679 /nfs/dbraw/zinc/33/66/79/181336679.db2.gz YUEQHPHHBINHIQ-UHFFFAOYSA-N 0 3 319.452 4.290 1 0 DIAFHN O[C@H]1CCCc2nc3ccccc3c(NCc3cccs3)c21 ZINC000014946520 181977194 /nfs/dbraw/zinc/97/71/94/181977194.db2.gz HVYUZYLNNWIMHS-INIZCTEOSA-N 0 3 310.422 4.278 1 0 DIAFHN C[C@@H](c1ccccc1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1 ZINC000022941595 182343070 /nfs/dbraw/zinc/34/30/70/182343070.db2.gz PNEZFQDSJJGXSD-KKXDTOCCSA-N 0 3 300.833 4.175 1 0 DIAFHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2/C=C/c1ccccc1 ZINC000058502030 184120776 /nfs/dbraw/zinc/12/07/76/184120776.db2.gz LBGASCXEDHLYEH-KAWBUVPWSA-N 0 3 304.437 4.274 1 0 DIAFHN CC(=O)c1ccc(Nc2nc([C@H](N)CC(C)C)cs2)cc1 ZINC000061902357 184193789 /nfs/dbraw/zinc/19/37/89/184193789.db2.gz MIDDMXSMFFCWBY-CQSZACIVSA-N 0 3 303.431 4.135 3 0 DIAFHN CSc1ccc(CN2CC[C@@](C)(Oc3ccccc3)C2)cc1 ZINC000061925687 184195683 /nfs/dbraw/zinc/19/56/83/184195683.db2.gz BVXODFZMSNMCCZ-LJQANCHMSA-N 0 3 313.466 4.452 3 0 DIAFHN CCCN1C[C@H](c2ccccc2)O[C@H]2c3cc(O)ccc3CC[C@@H]21 ZINC000026828493 581094233 /nfs/dbraw/zinc/09/42/33/581094233.db2.gz IXUNXYUOXOHHSI-HBMCJLEFSA-N 0 3 323.436 4.232 1 0 DIAFHN CCCN1C[C@H](c2ccccc2)O[C@@H]2c3cc(O)ccc3CC[C@@H]21 ZINC000169357871 581094300 /nfs/dbraw/zinc/09/43/00/581094300.db2.gz IXUNXYUOXOHHSI-PWRODBHTSA-N 0 3 323.436 4.232 1 0 DIAFHN C[C@]12CC[C@H]3[C@@H](CC=C4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@H]1CN1 ZINC000095555673 185379690 /nfs/dbraw/zinc/37/96/90/185379690.db2.gz IRGXYIWQWVWOAI-WYLBFHJUSA-N 0 3 313.485 4.106 1 0 DIAFHN Cc1ccc(Sc2ccc(Cl)cc2)c(N2CCNCC2)c1 ZINC000095561409 185380070 /nfs/dbraw/zinc/38/00/70/185380070.db2.gz WTRJSQBNDURZJN-UHFFFAOYSA-N 0 3 318.873 4.209 1 0 DIAFHN CC[C@H](C)[C@H](N)c1nc2ccccc2n1Cc1cccc(F)c1 ZINC000072118854 191038604 /nfs/dbraw/zinc/03/86/04/191038604.db2.gz MUHVFGNVDLXJFQ-UGSOOPFHSA-N 0 3 311.404 4.270 1 0 DIAFHN CCOc1ccc(-c2nc(CN[C@H]3C[C@H]4CC[C@@H]3C4)co2)cc1 ZINC000072182009 191071717 /nfs/dbraw/zinc/07/17/17/191071717.db2.gz GAHNURYBPQVKOK-JOQOYGCGSA-N 0 3 312.413 4.019 1 0 DIAFHN CC(C)(C)CNCc1coc(-c2ccccc2Br)n1 ZINC000072182929 191071891 /nfs/dbraw/zinc/07/18/91/191071891.db2.gz YJGSTDLXLCSANB-UHFFFAOYSA-N 0 3 323.234 4.240 1 0 DIAFHN CCOc1ccccc1-c1nc(CN[C@@H](C)C(C)(C)C)co1 ZINC000072186582 191073231 /nfs/dbraw/zinc/07/32/31/191073231.db2.gz PDZKMQOECMCDEG-ZDUSSCGKSA-N 0 3 302.418 4.265 1 0 DIAFHN CCCCCC[C@@H](C)NCc1coc(-c2ccc(O)cc2)n1 ZINC000072186277 191073380 /nfs/dbraw/zinc/07/33/80/191073380.db2.gz GLZALWMZNLRIDQ-CQSZACIVSA-N 0 3 302.418 4.496 1 0 DIAFHN C[C@@H]1C[C@H](C)CN(Cc2coc(-c3ccccc3Cl)n2)C1 ZINC000072186507 191073458 /nfs/dbraw/zinc/07/34/58/191073458.db2.gz AFVOKBUVGYWYNK-BETUJISGSA-N 0 3 304.821 4.473 1 0 DIAFHN Cc1nc(Nc2ccc(Br)cc2)c(C)c(C)c1O ZINC000143839767 186034286 /nfs/dbraw/zinc/03/42/86/186034286.db2.gz RFTGBQFWOJEPCW-UHFFFAOYSA-N 0 3 307.191 4.219 1 0 DIAFHN C[C@H](c1ccccc1)N1CC[C@H]1[C@@H](N)c1cccc(Cl)c1 ZINC000022941593 182343699 /nfs/dbraw/zinc/34/36/99/182343699.db2.gz PNEZFQDSJJGXSD-BVGQSLNGSA-N 0 3 300.833 4.175 1 0 DIAFHN CN(C)C[C@@H](c1cccc(C(F)(F)F)c1)C1(O)CCCCC1 ZINC000026735989 182451973 /nfs/dbraw/zinc/45/19/73/182451973.db2.gz YUTGLCAFRPAGFA-HNNXBMFYSA-N 0 3 315.379 4.046 1 0 in-vitro DIAFHN CCCCCCOc1ccc(C(=O)CCN(C)C)cc1Cl ZINC000043065662 183333613 /nfs/dbraw/zinc/33/36/13/183333613.db2.gz ARFBKZGQYAEHAM-UHFFFAOYSA-N 0 3 311.853 4.434 1 0 DIAFHN CC(=O)c1ccc(Nc2nc([C@@H](N)CC(C)C)cs2)cc1 ZINC000061902355 184193524 /nfs/dbraw/zinc/19/35/24/184193524.db2.gz MIDDMXSMFFCWBY-AWEZNQCLSA-N 0 3 303.431 4.135 3 0 DIAFHN N=c1oc(/C=C/c2ccccc2)nc2sc3c(c21)CCCC3 ZINC000066259852 184399248 /nfs/dbraw/zinc/39/92/48/184399248.db2.gz KJJLXWXGSIPOHW-YMACEDOOSA-N 0 3 308.406 4.418 1 0 DIAFHN c1ccc2oc(Oc3ccc(OCCN4CCCC4)cc3)nc2c1 ZINC000040934254 581092076 /nfs/dbraw/zinc/09/20/76/581092076.db2.gz NNHHNGXLAAEJGV-UHFFFAOYSA-N 0 3 324.380 4.095 1 0 DIAFHN C[C@H]1Cc2c3ccccc3[nH]c2Cc2ccccc2CCN1C ZINC000082152216 192361968 /nfs/dbraw/zinc/36/19/68/192361968.db2.gz WQPRXYGVHKQNOH-HNNXBMFYSA-N 0 3 304.437 4.178 1 0 DIAFHN CNCCN1C(C)=Nc2ccc(Cl)cc2[C@H]1c1ccccc1 ZINC000072126081 191041711 /nfs/dbraw/zinc/04/17/11/191041711.db2.gz LMXLEVNEIVIVJL-GOSISDBHSA-N 0 3 313.832 4.014 1 0 DIAFHN O=C1c2ccccc2C[C@H]1CC1CCN(Cc2ccccc2)CC1 ZINC000003814292 181047227 /nfs/dbraw/zinc/04/72/27/181047227.db2.gz NCTLDXMBTJBAHY-HXUWFJFHSA-N 0 3 319.448 4.344 1 0 DIAFHN CN(C)CCO[C@@]1(c2ccccc2)C[C@H]2CC[C@]1(C)C2(C)C ZINC000005497089 181249996 /nfs/dbraw/zinc/24/99/96/181249996.db2.gz QOBGWWQAMAPULA-MISYRCLQSA-N 0 3 301.474 4.306 1 0 in-vitro DIAFHN C[NH+](C)[C@H]1Cc2cc(Cl)c([O-])cc2[C@H](c2ccccc2)C1 ZINC000005599759 181262212 /nfs/dbraw/zinc/26/22/12/181262212.db2.gz XZCKHECUBFUSAR-GJZGRUSLSA-N 0 3 301.817 4.054 1 0 DIAFHN CCN1c2ccccc2[C@H]2NC=C(C)[C@@H]2c2ccc(OC)cc21 ZINC000100997489 193806363 /nfs/dbraw/zinc/80/63/63/193806363.db2.gz DCHBSHSAJDODTK-WOJBJXKFSA-N 0 3 306.409 4.499 1 0 DIAFHN [O-]c1ccc(C[NH2+]Cc2cccc3ccccc32)c2cccnc12 ZINC000040917068 183147874 /nfs/dbraw/zinc/14/78/74/183147874.db2.gz ZBMVANCZTVUWHQ-UHFFFAOYSA-N 0 3 314.388 4.383 1 0 DIAFHN CCCN1C[C@H](c2ccccc2)O[C@@H]2c3cc(O)ccc3CC[C@H]21 ZINC000013474738 581094283 /nfs/dbraw/zinc/09/42/83/581094283.db2.gz IXUNXYUOXOHHSI-NJDAHSKKSA-N 0 3 323.436 4.232 1 0 DIAFHN C[C@@H]1CCC[C@H](NCc2coc(-c3cccc(F)c3)n2)[C@@H]1C ZINC000072185400 191073582 /nfs/dbraw/zinc/07/35/82/191073582.db2.gz WHJHXMHDRVHNNE-XNJGSVPQSA-N 0 3 302.393 4.395 1 0 DIAFHN Oc1ccc(-c2nc(CNC34CC5CC(CC(C5)C3)C4)co2)cc1 ZINC000072185611 191073668 /nfs/dbraw/zinc/07/36/68/191073668.db2.gz IWBOYQQXVGZITH-UHFFFAOYSA-N 0 3 324.424 4.106 1 0 DIAFHN C[C@H]1c2c3cc(C(F)(F)F)ccc3[nH]c2C[C@H]2CCN(C)C[C@H]12 ZINC000073167665 191287898 /nfs/dbraw/zinc/28/78/98/191287898.db2.gz BJYHYLQKUMWFQA-JTNHKYCSSA-N 0 3 322.374 4.414 1 0 DIAFHN CC[C@@H](C)N1CCCC[C@@H]1C(=O)Nc1c(C)cc(C)cc1C ZINC000004893742 181169530 /nfs/dbraw/zinc/16/95/30/181169530.db2.gz MSZVPRVICYHAEH-IAGOWNOFSA-N 0 3 302.462 4.203 3 0 DIAFHN Nc1nc(-c2ccc(C(F)(F)F)cc2)c(-c2ccccc2)[nH]1 ZINC000066112245 184390363 /nfs/dbraw/zinc/39/03/63/184390363.db2.gz QUGDTCCQIDTVFG-UHFFFAOYSA-N 0 3 303.287 4.345 1 0 DIAFHN CCCCC[C@H](C)NCc1coc(-c2ccc3c(c2)OCO3)n1 ZINC000072101647 191037134 /nfs/dbraw/zinc/03/71/34/191037134.db2.gz JZTHUHLDOVOBCD-ZDUSSCGKSA-N 0 3 316.401 4.129 1 0 DIAFHN Cc1cc(C)c2c(CN(C)Cc3ccccc3)cc(=O)oc2c1 ZINC000072138152 191048442 /nfs/dbraw/zinc/04/84/42/191048442.db2.gz PCNIWJTUCBFORZ-UHFFFAOYSA-N 0 3 307.393 4.042 3 0 DIAFHN Cc1cccc(Cn2c3ccccc3nc2[C@@H](N)CC(C)C)c1 ZINC000072141486 191050173 /nfs/dbraw/zinc/05/01/73/191050173.db2.gz MPYUBIKPBBVCSF-KRWDZBQOSA-N 0 3 307.441 4.439 1 0 DIAFHN Oc1ccc(-c2nc(CN3CC[C@H]4CCCC[C@@H]4C3)co2)cc1 ZINC000072182807 191072801 /nfs/dbraw/zinc/07/28/01/191072801.db2.gz FNHGJCVLILWBNB-GDBMZVCRSA-N 0 3 312.413 4.059 1 0 DIAFHN C[NH+](C)[C@H]1Cc2cc(Cl)c([O-])cc2[C@@H](c2ccccc2)C1 ZINC000026575256 182446906 /nfs/dbraw/zinc/44/69/06/182446906.db2.gz XZCKHECUBFUSAR-LSDHHAIUSA-N 0 3 301.817 4.054 1 0 DIAFHN CC(C)[C@H](N)c1csc(NC(=O)Nc2cccc(Cl)c2)n1 ZINC000061906044 184194046 /nfs/dbraw/zinc/19/40/46/184194046.db2.gz KQNAPJBWPDAOSI-LBPRGKRZSA-N 0 3 324.837 4.096 3 0 DIAFHN c1ccc(Cc2ccc(OCCN3C[C@@H]4C=C[C@H]3CC4)cc2)cc1 ZINC000013805343 581092063 /nfs/dbraw/zinc/09/20/63/581092063.db2.gz NMUGFBLMEOSJGP-RTWAWAEBSA-N 0 3 319.448 4.307 1 0 DIAFHN CNc1cccc2c3cc(NCc4ccccc4)ncc3[nH]c21 ZINC000095553847 185379373 /nfs/dbraw/zinc/37/93/73/185379373.db2.gz PIFRLHWPSFFECO-UHFFFAOYSA-N 0 3 302.381 4.370 1 0 DIAFHN C[C@@]1(c2nc3ccccc3[nH]2)CCC2=Nc3ccccc3CN21 ZINC000095568766 185380334 /nfs/dbraw/zinc/38/03/34/185380334.db2.gz JUZGDLSVUJUMGV-IBGZPJMESA-N 0 3 302.381 4.118 3 0 DIAFHN Fc1ccccc1-c1nc(CN2CC[C@@H]3CCCC[C@@H]3C2)co1 ZINC000072102178 191036802 /nfs/dbraw/zinc/03/68/02/191036802.db2.gz QOPKPODVGLAZBZ-LSDHHAIUSA-N 0 3 314.404 4.493 1 0 DIAFHN Oc1ccc(-c2nc(CN3CC[C@@H]4CCCC[C@@H]4C3)co2)cc1 ZINC000072103205 191036924 /nfs/dbraw/zinc/03/69/24/191036924.db2.gz FNHGJCVLILWBNB-GOEBONIOSA-N 0 3 312.413 4.059 1 0 DIAFHN CCOc1ccc(-c2nc(CN[C@@H]3C[C@H]4CC[C@@H]3C4)co2)cc1 ZINC000072182008 191072159 /nfs/dbraw/zinc/07/21/59/191072159.db2.gz GAHNURYBPQVKOK-JCKWVBRZSA-N 0 3 312.413 4.019 1 0 DIAFHN CCN1CC[C@H]2[C@H](c3ccc(C=O)cc3)c3cc(C)ccc3[C@H]2C1 ZINC000003810801 181046037 /nfs/dbraw/zinc/04/60/37/181046037.db2.gz NJNCRGMAMMNSBN-FCEUIQTBSA-N 0 3 319.448 4.378 1 0 DIAFHN O=C1c2ccccc2C[C@@H]1CC1CCN(Cc2ccccc2)CC1 ZINC000003816964 181047153 /nfs/dbraw/zinc/04/71/53/181047153.db2.gz NCTLDXMBTJBAHY-FQEVSTJZSA-N 0 3 319.448 4.344 1 0 DIAFHN CCc1cccc(NC(=N)Nc2cccc(Br)c2)c1 ZINC000013776043 181894710 /nfs/dbraw/zinc/89/47/10/181894710.db2.gz RZDGPHPDMPDOHD-UHFFFAOYSA-N 0 3 318.218 4.470 1 0 DIAFHN CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000066167081 184394637 /nfs/dbraw/zinc/39/46/37/184394637.db2.gz SNSBQQKMJWPBHG-UHFFFAOYSA-N 0 3 324.424 4.386 1 0 DIAFHN C[C@@H](Cc1ccc(C(C)(C)C)cc1)CN1C[C@H](C)O[C@@H](C)C1 ZINC000025726476 571740363 /nfs/dbraw/zinc/74/03/63/571740363.db2.gz RYAUSSKQMZRMAI-ULQDDVLXSA-N 0 3 303.490 4.272 1 0 endogenous,in-man DIAFHN N=C(N)c1cc2c(cccc2/C=C/c2ccc3c(c2)OCO3)s1 ZINC000000005880 581096663 /nfs/dbraw/zinc/09/66/63/581096663.db2.gz BGFUKOBHJOFLNH-GQCTYLIASA-N 0 3 322.389 4.084 1 0 DIAFHN Cc1ccc(Sc2ccccc2N2CCNCC2)c(Cl)c1 ZINC000095564036 185380275 /nfs/dbraw/zinc/38/02/75/185380275.db2.gz IONCWLLKDMISKP-UHFFFAOYSA-N 0 3 318.873 4.209 1 0 DIAFHN Clc1ccc(C2(OCc3ccccc3)CNC2)cc1Cl ZINC000096924124 185391766 /nfs/dbraw/zinc/39/17/66/185391766.db2.gz VQYITZNMGPPDSO-UHFFFAOYSA-N 0 3 308.208 4.009 1 0 DIAFHN CC[C@H](C)[C@H](N)c1nc2ccccc2n1Cc1cccc(OC)c1 ZINC000072118017 191038591 /nfs/dbraw/zinc/03/85/91/191038591.db2.gz MXIZNOFWMHMTBE-LIRRHRJNSA-N 0 3 323.440 4.139 1 0 DIAFHN CN1CCN([C@@H]2C[C@@H](c3ccccc3)c3ccccc32)CC1(C)C ZINC000022938017 182342326 /nfs/dbraw/zinc/34/23/26/182342326.db2.gz USXYBVUAZCVLAV-LEWJYISDSA-N 0 3 320.480 4.289 1 0 DIAFHN CCCCCCN1CCC(C(=O)CC)(c2cccc(O)c2)CC1 ZINC000026669616 182449870 /nfs/dbraw/zinc/44/98/70/182449870.db2.gz OXKFCUKSHJHCAO-UHFFFAOYSA-N 0 3 317.473 4.285 1 0 DIAFHN CCCCCCOc1c(C)cc(C(=O)CCN(C)C)cc1C ZINC000043011849 183327783 /nfs/dbraw/zinc/32/77/83/183327783.db2.gz MGJLERSAIZIYCA-UHFFFAOYSA-N 0 3 305.462 4.397 1 0 DIAFHN CCCCCCOc1cc(C)c(C(=O)CCN(C)C)c(C)c1 ZINC000043011852 183327869 /nfs/dbraw/zinc/32/78/69/183327869.db2.gz WCSRARMLRDKOED-UHFFFAOYSA-N 0 3 305.462 4.397 1 0 DIAFHN CCCN1C[C@@H](c2ccccc2)O[C@H]2c3cc(O)ccc3CC[C@@H]21 ZINC000026828488 581094230 /nfs/dbraw/zinc/09/42/30/581094230.db2.gz IXUNXYUOXOHHSI-ACRUOGEOSA-N 0 3 323.436 4.232 1 0 DIAFHN Cc1ccc(NC(=O)[C@@H]2CCCN2C2CCCCC2)c(C)c1 ZINC000096927494 185391970 /nfs/dbraw/zinc/39/19/70/185391970.db2.gz LWTXEZWDZHNNDE-SFHVURJKSA-N 0 3 300.446 4.039 1 0 DIAFHN Fc1ccccc1-c1nc(CN2CC[C@H]3CCCC[C@@H]3C2)co1 ZINC000072102179 191036849 /nfs/dbraw/zinc/03/68/49/191036849.db2.gz QOPKPODVGLAZBZ-HUUCEWRRSA-N 0 3 314.404 4.493 1 0 DIAFHN C[NH+](C)[C@@H]1Cc2cc(Cl)c([O-])cc2[C@@H](c2ccccc2)C1 ZINC000003651167 181043767 /nfs/dbraw/zinc/04/37/67/181043767.db2.gz XZCKHECUBFUSAR-HUUCEWRRSA-N 0 3 301.817 4.054 1 0 DIAFHN CCN(CC)CCOC(=O)/C(=C\c1ccccc1)c1ccccc1 ZINC000004474476 181111607 /nfs/dbraw/zinc/11/16/07/181111607.db2.gz UTTZVFFEPWFVRY-JZJYNLBNSA-N 0 3 323.436 4.112 1 0 in-man DIAFHN O[C@H]1CCCc2nc3ccccc3c(NCCc3ccccc3)c21 ZINC000014946478 181976875 /nfs/dbraw/zinc/97/68/75/181976875.db2.gz CSTQOUIHHVJLQT-IBGZPJMESA-N 0 3 318.420 4.259 1 0 DIAFHN COc1cccc(-c2noc3c2CN(C2CCCCC2)CC3)c1 ZINC000039552609 183020173 /nfs/dbraw/zinc/02/01/73/183020173.db2.gz NHUOFXYGRHQTLZ-UHFFFAOYSA-N 0 3 312.413 4.041 1 0 DIAFHN Cc1ccc(CN)cc1C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000043071312 183334532 /nfs/dbraw/zinc/33/45/32/183334532.db2.gz BIKTWHWUIKAJAT-OAHLLOKOSA-N 0 3 318.420 4.098 1 0 DIAFHN C[C@H](N)c1csc(Nc2ccc(C(=O)c3ccccc3)cc2)n1 ZINC000061906266 184194036 /nfs/dbraw/zinc/19/40/36/184194036.db2.gz UQIXQOKXZBANFY-LBPRGKRZSA-N 0 3 323.421 4.137 3 0 DIAFHN CC(=O)c1ccc(O[C@]2(C)CCN(Cc3ccc(C)cc3)C2)cc1 ZINC000061903703 184194186 /nfs/dbraw/zinc/19/41/86/184194186.db2.gz JYIZYSNUFZOUIW-OAQYLSRUSA-N 0 3 323.436 4.241 3 0 DIAFHN C[C@@H](N)c1csc(Nc2ccc(C(=O)c3ccccc3)cc2)n1 ZINC000061906267 184194360 /nfs/dbraw/zinc/19/43/60/184194360.db2.gz UQIXQOKXZBANFY-GFCCVEGCSA-N 0 3 323.421 4.137 3 0 DIAFHN CCCCC[C@@H](C)NCc1coc(-c2ccc3c(c2)OCO3)n1 ZINC000072101646 191036743 /nfs/dbraw/zinc/03/67/43/191036743.db2.gz JZTHUHLDOVOBCD-CYBMUJFWSA-N 0 3 316.401 4.129 1 0 DIAFHN CC[C@H](C)[C@H](N)c1nc2ccccc2n1Cc1cccc(C)c1 ZINC000072116711 191039169 /nfs/dbraw/zinc/03/91/69/191039169.db2.gz GUMRAHCFVIDKPI-KXBFYZLASA-N 0 3 307.441 4.439 1 0 DIAFHN CCCCCCOc1ccc(C(=O)CCN(C)C)c(Cl)c1 ZINC000043071218 183334132 /nfs/dbraw/zinc/33/41/32/183334132.db2.gz STMSRTJNGSQKNC-UHFFFAOYSA-N 0 3 311.853 4.434 1 0 DIAFHN CC(C)[C@@H](N)c1csc(NC(=O)Nc2cccc(Cl)c2)n1 ZINC000061906045 184194141 /nfs/dbraw/zinc/19/41/41/184194141.db2.gz KQNAPJBWPDAOSI-GFCCVEGCSA-N 0 3 324.837 4.096 3 0 DIAFHN CCCCCCNC(=O)Oc1ccc2c(c1)[C@@H]1C[C@H]2N(C)CC1 ZINC000026159832 581093411 /nfs/dbraw/zinc/09/34/11/581093411.db2.gz 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