smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000019914923 170924777 /nfs/dbraw/zinc/92/47/77/170924777.db2.gz WSHBYEKFUGSZDR-HUUCEWRRSA-N 2 0 296.886 4.501 20 0 CJADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1Cl ZINC000019914927 262206307 /nfs/dbraw/zinc/20/63/07/262206307.db2.gz YNYVNVBOUWRUFG-CABCVRRESA-N 2 0 296.886 4.501 20 0 CJADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ccccc1Cl ZINC000019914929 262206010 /nfs/dbraw/zinc/20/60/10/262206010.db2.gz YNYVNVBOUWRUFG-GJZGRUSLSA-N 2 0 296.886 4.501 20 0 CJADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccccc1Cl ZINC000019914930 262205752 /nfs/dbraw/zinc/20/57/52/262205752.db2.gz YNYVNVBOUWRUFG-HUUCEWRRSA-N 2 0 296.886 4.501 20 0 CJADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1ccccc1Cl ZINC000019914932 262178251 /nfs/dbraw/zinc/17/82/51/262178251.db2.gz YNYVNVBOUWRUFG-LSDHHAIUSA-N 2 0 296.886 4.501 20 0 CJADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1cc(C)sc1C ZINC000021015701 262373754 /nfs/dbraw/zinc/37/37/54/262373754.db2.gz GRDLZMKOQKVRTE-HIFRSBDPSA-N 2 0 296.524 4.526 20 0 CJADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1cc(C)sc1C ZINC000021015704 262373945 /nfs/dbraw/zinc/37/39/45/262373945.db2.gz GRDLZMKOQKVRTE-ZFWWWQNUSA-N 2 0 296.524 4.526 20 0 CJADRP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1cc(C)sc1C ZINC000021015707 262373805 /nfs/dbraw/zinc/37/38/05/262373805.db2.gz GRDLZMKOQKVRTE-UKRRQHHQSA-N 2 0 296.524 4.526 20 0 CJADRP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1cc(C)sc1C ZINC000021015710 262374064 /nfs/dbraw/zinc/37/40/64/262374064.db2.gz GRDLZMKOQKVRTE-DZGCQCFKSA-N 2 0 296.524 4.526 20 0 CJADRP CCCC[C@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ccccc1 ZINC000423288945 330186415 /nfs/dbraw/zinc/18/64/15/330186415.db2.gz ACKLSUPBYLVHQK-JXFKEZNVSA-N 2 0 296.458 4.727 20 0 CJADRP CCCC[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ccccc1 ZINC000423288946 330186377 /nfs/dbraw/zinc/18/63/77/330186377.db2.gz ACKLSUPBYLVHQK-OXJNMPFZSA-N 2 0 296.458 4.727 20 0 CJADRP CCCC[C@@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)c1ccccc1 ZINC000423288947 330186370 /nfs/dbraw/zinc/18/63/70/330186370.db2.gz ACKLSUPBYLVHQK-OXQOHEQNSA-N 2 0 296.458 4.727 20 0 CJADRP CCCC[C@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)c1ccccc1 ZINC000423288948 330186493 /nfs/dbraw/zinc/18/64/93/330186493.db2.gz ACKLSUPBYLVHQK-UZLBHIALSA-N 2 0 296.458 4.727 20 0 CJADRP CC(C)C[C@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ccccc1 ZINC000423289006 330186522 /nfs/dbraw/zinc/18/65/22/330186522.db2.gz AHWWENRXRUCIHG-JXFKEZNVSA-N 2 0 296.458 4.583 20 0 CJADRP CC(C)C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ccccc1 ZINC000423289007 330186366 /nfs/dbraw/zinc/18/63/66/330186366.db2.gz AHWWENRXRUCIHG-OXJNMPFZSA-N 2 0 296.458 4.583 20 0 CJADRP CC(C)C[C@@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)c1ccccc1 ZINC000423289008 330186584 /nfs/dbraw/zinc/18/65/84/330186584.db2.gz AHWWENRXRUCIHG-OXQOHEQNSA-N 2 0 296.458 4.583 20 0 CJADRP CC(C)C[C@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)c1ccccc1 ZINC000423289009 330186526 /nfs/dbraw/zinc/18/65/26/330186526.db2.gz AHWWENRXRUCIHG-UZLBHIALSA-N 2 0 296.458 4.583 20 0 CJADRP CCCc1ccc([C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423290616 330186888 /nfs/dbraw/zinc/18/68/88/330186888.db2.gz DTKRQHWPFKZFJG-CVEARBPZSA-N 2 0 296.458 4.510 20 0 CJADRP CCCc1ccc([C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423290617 330186869 /nfs/dbraw/zinc/18/68/69/330186869.db2.gz DTKRQHWPFKZFJG-HOTGVXAUSA-N 2 0 296.458 4.510 20 0 CJADRP CCCc1ccc([C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423290618 330186809 /nfs/dbraw/zinc/18/68/09/330186809.db2.gz DTKRQHWPFKZFJG-HZPDHXFCSA-N 2 0 296.458 4.510 20 0 CJADRP CCCc1ccc([C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423290619 330186669 /nfs/dbraw/zinc/18/66/69/330186669.db2.gz DTKRQHWPFKZFJG-JKSUJKDBSA-N 2 0 296.458 4.510 20 0 CJADRP CC(C)c1ccc([C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423291571 330187134 /nfs/dbraw/zinc/18/71/34/330187134.db2.gz IWIYBRIUSPYNCI-CVEARBPZSA-N 2 0 296.458 4.681 20 0 CJADRP CC(C)c1ccc([C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423291572 330186980 /nfs/dbraw/zinc/18/69/80/330186980.db2.gz IWIYBRIUSPYNCI-HOTGVXAUSA-N 2 0 296.458 4.681 20 0 CJADRP CC(C)c1ccc([C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423291573 330187007 /nfs/dbraw/zinc/18/70/07/330187007.db2.gz IWIYBRIUSPYNCI-HZPDHXFCSA-N 2 0 296.458 4.681 20 0 CJADRP CC(C)c1ccc([C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423291574 330187167 /nfs/dbraw/zinc/18/71/67/330187167.db2.gz IWIYBRIUSPYNCI-JKSUJKDBSA-N 2 0 296.458 4.681 20 0 CJADRP CCc1ccc([C@@H](CC)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423291576 330187156 /nfs/dbraw/zinc/18/71/56/330187156.db2.gz IWQISOHMLXOQIM-FOIQADDNSA-N 2 0 296.458 4.510 20 0 CJADRP CCc1ccc([C@@H](CC)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423291577 330187072 /nfs/dbraw/zinc/18/70/72/330187072.db2.gz IWQISOHMLXOQIM-MGPUTAFESA-N 2 0 296.458 4.510 20 0 CJADRP CCc1ccc([C@H](CC)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000423291578 330187127 /nfs/dbraw/zinc/18/71/27/330187127.db2.gz IWQISOHMLXOQIM-QRWLVFNGSA-N 2 0 296.458 4.510 20 0 CJADRP CCc1ccc([C@H](CC)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000423291579 330187137 /nfs/dbraw/zinc/18/71/37/330187137.db2.gz IWQISOHMLXOQIM-YWZLYKJASA-N 2 0 296.458 4.510 20 0 CJADRP CCC[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccccc1 ZINC000423496181 330207941 /nfs/dbraw/zinc/20/79/41/330207941.db2.gz DOKPZPSWAWIHJU-PMACEKPBSA-N 2 0 296.458 4.598 20 0 CJADRP CCC[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccccc1 ZINC000423496182 330207874 /nfs/dbraw/zinc/20/78/74/330207874.db2.gz DOKPZPSWAWIHJU-UXHICEINSA-N 2 0 296.458 4.598 20 0 CJADRP CCC[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccccc1 ZINC000423496183 330207962 /nfs/dbraw/zinc/20/79/62/330207962.db2.gz DOKPZPSWAWIHJU-VQTJNVASSA-N 2 0 296.458 4.598 20 0 CJADRP CCC[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccccc1 ZINC000423496184 330207891 /nfs/dbraw/zinc/20/78/91/330207891.db2.gz DOKPZPSWAWIHJU-WOJBJXKFSA-N 2 0 296.458 4.598 20 0 CJADRP CC[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(C)cc1 ZINC000423517493 330209623 /nfs/dbraw/zinc/20/96/23/330209623.db2.gz YYLCITIRQUMVSY-PMACEKPBSA-N 2 0 296.458 4.516 20 0 CJADRP CC[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(C)cc1 ZINC000423517506 330209618 /nfs/dbraw/zinc/20/96/18/330209618.db2.gz YYLCITIRQUMVSY-UXHICEINSA-N 2 0 296.458 4.516 20 0 CJADRP CC[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(C)cc1 ZINC000423517508 330209676 /nfs/dbraw/zinc/20/96/76/330209676.db2.gz YYLCITIRQUMVSY-VQTJNVASSA-N 2 0 296.458 4.516 20 0 CJADRP CC[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(C)cc1 ZINC000423517510 330209727 /nfs/dbraw/zinc/20/97/27/330209727.db2.gz YYLCITIRQUMVSY-WOJBJXKFSA-N 2 0 296.458 4.516 20 0 CJADRP CC[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1cccc(C)c1 ZINC000423526688 330210261 /nfs/dbraw/zinc/21/02/61/330210261.db2.gz ZWGRMSDNDPVEID-PMACEKPBSA-N 2 0 296.458 4.516 20 0 CJADRP CC[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1cccc(C)c1 ZINC000423526689 330210493 /nfs/dbraw/zinc/21/04/93/330210493.db2.gz ZWGRMSDNDPVEID-UXHICEINSA-N 2 0 296.458 4.516 20 0 CJADRP CC[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1cccc(C)c1 ZINC000423526691 330210205 /nfs/dbraw/zinc/21/02/05/330210205.db2.gz ZWGRMSDNDPVEID-VQTJNVASSA-N 2 0 296.458 4.516 20 0 CJADRP CC[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1cccc(C)c1 ZINC000423526692 330210346 /nfs/dbraw/zinc/21/03/46/330210346.db2.gz ZWGRMSDNDPVEID-WOJBJXKFSA-N 2 0 296.458 4.516 20 0 CJADRP CC(C)=CCC[C@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000532548963 328789528 /nfs/dbraw/zinc/78/95/28/328789528.db2.gz PIYXVYAFQMVNNE-KRWDZBQOSA-N 2 0 292.511 4.508 20 0 CJADRP CC(C)=CCC[C@@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000532548964 328789461 /nfs/dbraw/zinc/78/94/61/328789461.db2.gz PIYXVYAFQMVNNE-QGZVFWFLSA-N 2 0 292.511 4.508 20 0 CJADRP C[NH+](CCCCC[N@@H+](C)C1CCCCC1)C1CCCCC1 ZINC000563613895 328077646 /nfs/dbraw/zinc/07/76/46/328077646.db2.gz RQCQADRDYJXYKW-UHFFFAOYSA-N 2 0 294.527 4.686 20 0 CJADRP CC[NH+](CCCCC[N@@H+](CC)C1CCCC1)C1CCCC1 ZINC000564379862 334253585 /nfs/dbraw/zinc/25/35/85/334253585.db2.gz LVPYCYZAFLACOK-UHFFFAOYSA-N 2 0 294.527 4.686 20 0 CJADRP