smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1ccc(C(C)C)c(Cl)c1 ZINC000001596145 342950393 /nfs/dbraw/zinc/95/03/93/342950393.db2.gz DAQRAOORRPJOKE-UHFFFAOYSA-N 0 0 196.721 4.587 40 0 AJABRN C(CC1CCCC1)CC1CCCCC1 ZINC000001670988 166088125 /nfs/dbraw/zinc/08/81/25/166088125.db2.gz CPBZARXQRZTYGI-UHFFFAOYSA-N 0 0 194.362 4.927 40 0 AJABRN CCC(CC)c1ccc2ccccc2c1 ZINC000001704558 342960619 /nfs/dbraw/zinc/96/06/19/342960619.db2.gz WXKMPZORXBGZGK-UHFFFAOYSA-N 0 0 198.309 4.743 40 0 AJABRN CCCCCC[C@@H](C)c1ccccc1 ZINC000001713123 342961197 /nfs/dbraw/zinc/96/11/97/342961197.db2.gz GTYIGAUPHJCMLF-CYBMUJFWSA-N 0 0 190.330 4.761 40 0 AJABRN CC(=C\C(C)(C)C)/C(C)=C\C(C)(C)C ZINC000001729057 351298807 /nfs/dbraw/zinc/29/88/07/351298807.db2.gz RONBSGMFOSUTLQ-DSOJMZEYSA-N 0 0 194.362 4.971 40 0 AJABRN Cc1ccc2c(C)ccc(C(C)C)c2c1 ZINC000002040470 342968588 /nfs/dbraw/zinc/96/85/88/342968588.db2.gz VMOJIHDTVZTGDO-UHFFFAOYSA-N 0 0 198.309 4.580 40 0 biogenic,in-man AJABRN CCCCC(C)(C)CC(C)(C)C ZINC000002528284 342974746 /nfs/dbraw/zinc/97/47/46/342974746.db2.gz TYUFTNSABIBNRY-UHFFFAOYSA-N 0 0 170.340 4.639 40 0 AJABRN CCCC[C@@H](C)CCCC(C)C ZINC000002528336 166915245 /nfs/dbraw/zinc/91/52/45/166915245.db2.gz DHJGXZWEQBKLNV-GFCCVEGCSA-N 0 0 170.340 4.639 40 0 AJABRN CCCCCC[C@H]1CCC[C@H](C)C1 ZINC000002558866 342976509 /nfs/dbraw/zinc/97/65/09/342976509.db2.gz JDRSBYDVSKONQG-STQMWFEESA-N 0 0 182.351 4.783 40 0 AJABRN CCCCCCC1CCC(C)CC1 ZINC000002558867 166849350 /nfs/dbraw/zinc/84/93/50/166849350.db2.gz KYDSKISTEAEQHZ-UHFFFAOYSA-N 0 0 182.351 4.783 40 0 AJABRN CC(C)(C)CC(C)(C)CC(C)(C)C ZINC000002559250 166347777 /nfs/dbraw/zinc/34/77/77/166347777.db2.gz LIMYLTFOQJHNJD-UHFFFAOYSA-N 0 0 184.367 4.885 40 0 AJABRN CC(C)(C)CCCCC(C)(C)C ZINC000002600001 166351766 /nfs/dbraw/zinc/35/17/66/166351766.db2.gz QZUFNKONEPLWBC-UHFFFAOYSA-N 0 0 170.340 4.639 40 0 AJABRN CCCCCC[C@H](C)c1ccccc1 ZINC000054962128 343332774 /nfs/dbraw/zinc/33/27/74/343332774.db2.gz GTYIGAUPHJCMLF-ZDUSSCGKSA-N 0 0 190.330 4.761 40 0 AJABRN CCCC[C@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000055168184 166928712 /nfs/dbraw/zinc/92/87/12/166928712.db2.gz SVAKAMBIIAHLSL-BFHYXJOUSA-N 0 0 194.362 4.783 40 0 AJABRN CCCC[C@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000055168191 343334468 /nfs/dbraw/zinc/33/44/68/343334468.db2.gz SVAKAMBIIAHLSL-MELADBBJSA-N 0 0 194.362 4.783 40 0 AJABRN CC(C)c1cc(Cl)cc(C(C)C)c1 ZINC000059803904 343348067 /nfs/dbraw/zinc/34/80/67/343348067.db2.gz IJPBANLIWUXUPV-UHFFFAOYSA-N 0 0 196.721 4.587 40 0 AJABRN CCCC[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000071621255 343557070 /nfs/dbraw/zinc/55/70/70/343557070.db2.gz VYMIQGUNEIJWAR-HZSPNIEDSA-N 0 0 194.362 4.783 40 0 AJABRN CCCC[C@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000071621258 343557005 /nfs/dbraw/zinc/55/70/05/343557005.db2.gz VYMIQGUNEIJWAR-MELADBBJSA-N 0 0 194.362 4.783 40 0 AJABRN CCCC[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000071621259 343557114 /nfs/dbraw/zinc/55/71/14/343557114.db2.gz VYMIQGUNEIJWAR-MGPQQGTHSA-N 0 0 194.362 4.783 40 0 AJABRN CCCC[C@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000071621261 166928119 /nfs/dbraw/zinc/92/81/19/166928119.db2.gz VYMIQGUNEIJWAR-BFHYXJOUSA-N 0 0 194.362 4.783 40 0 AJABRN CCCC[C@H](C)CCCC(C)C ZINC000071789893 343558307 /nfs/dbraw/zinc/55/83/07/343558307.db2.gz DHJGXZWEQBKLNV-LBPRGKRZSA-N 0 0 170.340 4.639 40 0 AJABRN C/C=C(\CC)c1cccc2ccccc21 ZINC000079166078 166059618 /nfs/dbraw/zinc/05/96/18/166059618.db2.gz MNZINXZXWOFRTN-KGVSQERTSA-N 0 0 196.293 4.653 40 0 AJABRN C/C=C(/CC)c1cccc2ccccc21 ZINC000079166079 166060001 /nfs/dbraw/zinc/06/00/01/166060001.db2.gz MNZINXZXWOFRTN-BASWHVEKSA-N 0 0 196.293 4.653 40 0 AJABRN CCCC[C@@H](CC)Cc1cccs1 ZINC000080830797 166917818 /nfs/dbraw/zinc/91/78/18/166917818.db2.gz JACCFQMSOHCQFN-LLVKDONJSA-N 0 0 196.359 4.507 40 0 AJABRN CCCC[C@H](CC)Cc1cccs1 ZINC000080830805 343592422 /nfs/dbraw/zinc/59/24/22/343592422.db2.gz JACCFQMSOHCQFN-NSHDSACASA-N 0 0 196.359 4.507 40 0 AJABRN CCCCCC[C@@H]1CCC[C@H](C)C1 ZINC000091365510 343678200 /nfs/dbraw/zinc/67/82/00/343678200.db2.gz JDRSBYDVSKONQG-QWHCGFSZSA-N 0 0 182.351 4.783 40 0 AJABRN CCCCCC[C@@H]1CCC[C@@H](C)C1 ZINC000091365511 166857608 /nfs/dbraw/zinc/85/76/08/166857608.db2.gz JDRSBYDVSKONQG-CHWSQXEVSA-N 0 0 182.351 4.783 40 0 AJABRN CCCCCC[C@H]1CCC[C@@H](C)C1 ZINC000091365512 343678008 /nfs/dbraw/zinc/67/80/08/343678008.db2.gz JDRSBYDVSKONQG-OLZOCXBDSA-N 0 0 182.351 4.783 40 0 AJABRN CCCC[C@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000100229372 343713287 /nfs/dbraw/zinc/71/32/87/343713287.db2.gz SVAKAMBIIAHLSL-IHRRRGAJSA-N 0 0 194.362 4.783 40 0 AJABRN CCCC[C@H]1CCC[C@H]2CCCC[C@H]21 ZINC000100229377 166928864 /nfs/dbraw/zinc/92/88/64/166928864.db2.gz SVAKAMBIIAHLSL-MJBXVCDLSA-N 0 0 194.362 4.783 40 0 AJABRN CC(=C/C(C)(C)C)/C(C)=C\C(C)(C)C ZINC000104134401 166231927 /nfs/dbraw/zinc/23/19/27/166231927.db2.gz RONBSGMFOSUTLQ-HWAYABPNSA-N 0 0 194.362 4.971 40 0 AJABRN CC(=C\C(C)(C)C)/C(C)=C/C(C)(C)C ZINC000104134404 166230888 /nfs/dbraw/zinc/23/08/88/166230888.db2.gz RONBSGMFOSUTLQ-WGDLNXRISA-N 0 0 194.362 4.971 40 0 AJABRN CC(C)(C)[Si](C(C)(C)C)C(C)(C)C ZINC000195797105 344355045 /nfs/dbraw/zinc/35/50/45/344355045.db2.gz STDLEZMOAXZZNH-UHFFFAOYSA-N 0 0 199.434 4.882 40 0 AJABRN CCCC[Si](CCCC)CCCC ZINC000195815013 538181187 /nfs/dbraw/zinc/18/11/87/538181187.db2.gz ISEIIPDWJVGTQS-UHFFFAOYSA-N 0 0 199.434 4.882 40 0 AJABRN