smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCCCC(=O)Nc1cccc(O[P@@](=O)([O-])O)c1 ZINC000043443380 563120401 /nfs/dbraw/zinc/12/04/01/563120401.db2.gz JIBNHCRZGHFLFW-UHFFFAOYSA-N -1 2 427.522 6.578 1 30 IKEFLM CCCCCCCCCCCCCCCC(=O)Nc1cccc(O[P@](=O)([O-])O)c1 ZINC000043443380 563120402 /nfs/dbraw/zinc/12/04/02/563120402.db2.gz JIBNHCRZGHFLFW-UHFFFAOYSA-N -1 2 427.522 6.578 1 30 IKEFLM CCCCCC/C=C\CCCCCCCC(=O)Nc1cccc(O[P@@](=O)([O-])O)c1 ZINC000043443218 563120423 /nfs/dbraw/zinc/12/04/23/563120423.db2.gz CNAYYDSQRGTALA-FPLPWBNLSA-N -1 2 425.506 6.354 1 30 IKEFLM CCCCCC/C=C\CCCCCCCC(=O)Nc1cccc(O[P@](=O)([O-])O)c1 ZINC000043443218 563120424 /nfs/dbraw/zinc/12/04/24/563120424.db2.gz CNAYYDSQRGTALA-FPLPWBNLSA-N -1 2 425.506 6.354 1 30 IKEFLM CCCCCCCC/C=C/CCCCCCC[C@@H]1O[C@H](CO[P@@](=O)([O-])O)CS1 ZINC000043504114 563120622 /nfs/dbraw/zinc/12/06/22/563120622.db2.gz CKEXYAIQPRXGTP-XMHHWPDXSA-N -1 2 436.595 6.591 1 30 IKEFLM CCCCCCCC/C=C/CCCCCCC[C@@H]1O[C@H](CO[P@](=O)([O-])O)CS1 ZINC000043504114 563120623 /nfs/dbraw/zinc/12/06/23/563120623.db2.gz CKEXYAIQPRXGTP-XMHHWPDXSA-N -1 2 436.595 6.591 1 30 IKEFLM CCCCCCCC/C=C/CCCCCCC[C@H]1O[C@H](CO[P@@](=O)([O-])O)CS1 ZINC000043504116 563120673 /nfs/dbraw/zinc/12/06/73/563120673.db2.gz CKEXYAIQPRXGTP-KSDPHVGKSA-N -1 2 436.595 6.591 1 30 IKEFLM CCCCCCCC/C=C/CCCCCCC[C@H]1O[C@H](CO[P@](=O)([O-])O)CS1 ZINC000043504116 563120674 /nfs/dbraw/zinc/12/06/74/563120674.db2.gz CKEXYAIQPRXGTP-KSDPHVGKSA-N -1 2 436.595 6.591 1 30 IKEFLM CCCCCCCCCCCCCCCC(=O)Nc1ccc(O[P@@](=O)([O-])O)cc1 ZINC000043450464 563120409 /nfs/dbraw/zinc/12/04/09/563120409.db2.gz SKVLJSXCASQJEL-UHFFFAOYSA-N -1 2 427.522 6.578 1 30 IKEFLM CCCCCCCCCCCCCCCC(=O)Nc1ccc(O[P@](=O)([O-])O)cc1 ZINC000043450464 563120410 /nfs/dbraw/zinc/12/04/10/563120410.db2.gz SKVLJSXCASQJEL-UHFFFAOYSA-N -1 2 427.522 6.578 1 30 IKEFLM CCCCCCCCCCCCCCCC(=O)Oc1cccc(O[P@@](=O)([O-])O)c1 ZINC000043443377 563120414 /nfs/dbraw/zinc/12/04/14/563120414.db2.gz ITPYELMILDNDOS-UHFFFAOYSA-N -1 2 428.506 6.545 1 30 IKEFLM CCCCCCCCCCCCCCCC(=O)Oc1cccc(O[P@](=O)([O-])O)c1 ZINC000043443377 563120415 /nfs/dbraw/zinc/12/04/15/563120415.db2.gz ITPYELMILDNDOS-UHFFFAOYSA-N -1 2 428.506 6.545 1 30 IKEFLM CCCCCCCC/C=C/CCCCCCC[C@@H]1CO[C@@H](CO[P@@](=O)([O-])O)CO1 ZINC000043504323 563120627 /nfs/dbraw/zinc/12/06/27/563120627.db2.gz TVVRIAJJGSYLCC-CXNSYNGHSA-N -1 2 434.554 5.917 1 30 IKEFLM CCCCCCCC/C=C/CCCCCCC[C@@H]1CO[C@@H](CO[P@](=O)([O-])O)CO1 ZINC000043504323 563120628 /nfs/dbraw/zinc/12/06/28/563120628.db2.gz TVVRIAJJGSYLCC-CXNSYNGHSA-N -1 2 434.554 5.917 1 30 IKEFLM CCCCCCCC/C=C/CCCCCCC[C@H]1CO[C@H](CO[P@@](=O)([O-])O)CO1 ZINC000043504320 563120642 /nfs/dbraw/zinc/12/06/42/563120642.db2.gz TVVRIAJJGSYLCC-UPYVZJKUSA-N -1 2 434.554 5.917 1 30 IKEFLM CCCCCCCC/C=C/CCCCCCC[C@H]1CO[C@H](CO[P@](=O)([O-])O)CO1 ZINC000043504320 563120643 /nfs/dbraw/zinc/12/06/43/563120643.db2.gz TVVRIAJJGSYLCC-UPYVZJKUSA-N -1 2 434.554 5.917 1 30 IKEFLM CCCCCCCC/C=C/CCCCCCC[C@@H]1CO[C@H](CO[P@@](=O)([O-])O)CO1 ZINC000043504318 563120680 /nfs/dbraw/zinc/12/06/80/563120680.db2.gz TVVRIAJJGSYLCC-BBDDESMNSA-N -1 2 434.554 5.917 1 30 IKEFLM CCCCCCCC/C=C/CCCCCCC[C@@H]1CO[C@H](CO[P@](=O)([O-])O)CO1 ZINC000043504318 563120681 /nfs/dbraw/zinc/12/06/81/563120681.db2.gz TVVRIAJJGSYLCC-BBDDESMNSA-N -1 2 434.554 5.917 1 30 IKEFLM CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](F)CO[P@@](=O)([O-])O ZINC000044018442 563121528 /nfs/dbraw/zinc/12/15/28/563121528.db2.gz VJROYHGHFOTHDX-XTXLJPNXSA-N -1 2 438.517 6.015 1 30 IKEFLM CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](F)CO[P@](=O)([O-])O ZINC000044018442 563121530 /nfs/dbraw/zinc/12/15/30/563121530.db2.gz VJROYHGHFOTHDX-XTXLJPNXSA-N -1 2 438.517 6.015 1 30 IKEFLM CCCCCCCC/C=C/CCCCCCC[C@H]1O[C@@H](CO[P@@](=O)([O-])O)CS1 ZINC000043504120 563120619 /nfs/dbraw/zinc/12/06/19/563120619.db2.gz CKEXYAIQPRXGTP-FUCIWNSQSA-N -1 2 436.595 6.591 1 30 IKEFLM CCCCCCCC/C=C/CCCCCCC[C@H]1O[C@@H](CO[P@](=O)([O-])O)CS1 ZINC000043504120 563120620 /nfs/dbraw/zinc/12/06/20/563120620.db2.gz CKEXYAIQPRXGTP-FUCIWNSQSA-N -1 2 436.595 6.591 1 30 IKEFLM CCCCCCCCCCCCC(CCCCCCCCCCCC)O[P@@](=O)([O-])O ZINC000073316215 563172493 /nfs/dbraw/zinc/17/24/93/563172493.db2.gz XTIFCHVMYQHMGD-UHFFFAOYSA-N -1 2 448.669 9.086 1 30 IKEFLM CCCCCCCCCCCCC(CCCCCCCCCCCC)O[P@](=O)([O-])O ZINC000073316215 563172494 /nfs/dbraw/zinc/17/24/94/563172494.db2.gz XTIFCHVMYQHMGD-UHFFFAOYSA-N -1 2 448.669 9.086 1 30 IKEFLM CCCCCCCCCC(=O)Oc1ccc(C(=O)c2ccc(O[P@@](=O)([O-])O)cc2)cc1 ZINC000043450301 563120439 /nfs/dbraw/zinc/12/04/39/563120439.db2.gz BQPWRFHWBDSPSG-UHFFFAOYSA-N -1 2 448.452 5.435 1 30 IKEFLM CCCCCCCCCC(=O)Oc1ccc(C(=O)c2ccc(O[P@](=O)([O-])O)cc2)cc1 ZINC000043450301 563120440 /nfs/dbraw/zinc/12/04/40/563120440.db2.gz BQPWRFHWBDSPSG-UHFFFAOYSA-N -1 2 448.452 5.435 1 30 IKEFLM CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H](F)CO[P@@](=O)([O-])O ZINC000043482015 563120500 /nfs/dbraw/zinc/12/05/00/563120500.db2.gz VJROYHGHFOTHDX-SQUSKLHYSA-N -1 2 438.517 6.015 1 30 IKEFLM CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H](F)CO[P@](=O)([O-])O ZINC000043482015 563120501 /nfs/dbraw/zinc/12/05/01/563120501.db2.gz VJROYHGHFOTHDX-SQUSKLHYSA-N -1 2 438.517 6.015 1 30 IKEFLM CCCCCCCC/C=C/CCCCCCCC(=O)O[C@@H](CF)CO[P@@](=O)([O-])O ZINC000043470283 563120519 /nfs/dbraw/zinc/12/05/19/563120519.db2.gz QCYIVIRLUVTLGV-XTXLJPNXSA-N -1 2 438.517 6.015 1 30 IKEFLM CCCCCCCC/C=C/CCCCCCCC(=O)O[C@@H](CF)CO[P@](=O)([O-])O ZINC000043470283 563120520 /nfs/dbraw/zinc/12/05/20/563120520.db2.gz QCYIVIRLUVTLGV-XTXLJPNXSA-N -1 2 438.517 6.015 1 30 IKEFLM CCCCCCCC/C=C/CCCCCCC[C@@H]1O[C@@H](CO[P@@](=O)([O-])O)CS1 ZINC000043504118 563120657 /nfs/dbraw/zinc/12/06/57/563120657.db2.gz CKEXYAIQPRXGTP-XNZYIBKVSA-N -1 2 436.595 6.591 1 30 IKEFLM CCCCCCCC/C=C/CCCCCCC[C@@H]1O[C@@H](CO[P@](=O)([O-])O)CS1 ZINC000043504118 563120658 /nfs/dbraw/zinc/12/06/58/563120658.db2.gz CKEXYAIQPRXGTP-XNZYIBKVSA-N -1 2 436.595 6.591 1 30 IKEFLM CCCCCCCC/C=C/CCCCCCC[C@H]1CO[C@@H](CO[P@@](=O)([O-])O)CO1 ZINC000043504325 563120688 /nfs/dbraw/zinc/12/06/88/563120688.db2.gz TVVRIAJJGSYLCC-TXLWKQMCSA-N -1 2 434.554 5.917 1 30 IKEFLM CCCCCCCC/C=C/CCCCCCC[C@H]1CO[C@@H](CO[P@](=O)([O-])O)CO1 ZINC000043504325 563120690 /nfs/dbraw/zinc/12/06/90/563120690.db2.gz TVVRIAJJGSYLCC-TXLWKQMCSA-N -1 2 434.554 5.917 1 30 IKEFLM CCCCCC/C=C\CCCCCCCC(=O)Nc1ccc(O[P@@](=O)([O-])O)cc1 ZINC000043450607 563120431 /nfs/dbraw/zinc/12/04/31/563120431.db2.gz ZNGVYQRNCHVBER-FPLPWBNLSA-N -1 2 425.506 6.354 1 30 IKEFLM CCCCCC/C=C\CCCCCCCC(=O)Nc1ccc(O[P@](=O)([O-])O)cc1 ZINC000043450607 563120432 /nfs/dbraw/zinc/12/04/32/563120432.db2.gz ZNGVYQRNCHVBER-FPLPWBNLSA-N -1 2 425.506 6.354 1 30 IKEFLM CCCCCCCCc1ccc(OC/C(Cn2ccc3cc(C(=O)[O-])ccc32)=N\O)cc1 ZINC000066066250 563157129 /nfs/dbraw/zinc/15/71/29/563157129.db2.gz RLXZDZQLYPAAMB-VYIQYICTSA-N -1 2 436.552 6.152 1 30 IKEFLM CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[P@](=O)([O-])O)CC(C)C ZINC000036176639 563091576 /nfs/dbraw/zinc/09/15/76/563091576.db2.gz YKMRNEVICNBFHK-OAQYLSRUSA-N -1 2 435.586 6.108 1 30 IKEFLM CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[P@@](=O)([O-])O)CC(C)C ZINC000036176639 563091574 /nfs/dbraw/zinc/09/15/74/563091574.db2.gz YKMRNEVICNBFHK-OAQYLSRUSA-N -1 2 435.586 6.108 1 30 IKEFLM CCCCCCCCCCCCCCCC(=O)O[C@H](CO[P@@](=O)([O-])O)CC(F)F ZINC000043482031 563120694 /nfs/dbraw/zinc/12/06/94/563120694.db2.gz VRLQVTSTXLGLOM-SFHVURJKSA-N -1 2 444.496 6.144 1 30 IKEFLM CCCCCCCCCCCCCCCC(=O)O[C@H](CO[P@](=O)([O-])O)CC(F)F ZINC000043482031 563120696 /nfs/dbraw/zinc/12/06/96/563120696.db2.gz VRLQVTSTXLGLOM-SFHVURJKSA-N -1 2 444.496 6.144 1 30 IKEFLM CCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)CO[P@@](=O)([O-])O ZINC000040165179 571759157 /nfs/dbraw/zinc/75/91/57/571759157.db2.gz RPAOEHFOGLEBTJ-HXUWFJFHSA-N -1 2 438.542 5.261 1 30 endogenous,in-man IKEFLM CCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)CO[P@](=O)([O-])O ZINC000040165179 571759159 /nfs/dbraw/zinc/75/91/59/571759159.db2.gz RPAOEHFOGLEBTJ-HXUWFJFHSA-N -1 2 438.542 5.261 1 30 endogenous,in-man IKEFLM CCCCCCCCCCCCCCCC(=O)O[C@H](CO[P@@](=O)([O-])O)C(F)F ZINC000043482223 563120633 /nfs/dbraw/zinc/12/06/33/563120633.db2.gz FNESAIQQDLSXRX-QGZVFWFLSA-N -1 2 430.469 5.754 1 30 IKEFLM CCCCCCCCCCCCCCCC(=O)O[C@H](CO[P@](=O)([O-])O)C(F)F ZINC000043482223 563120635 /nfs/dbraw/zinc/12/06/35/563120635.db2.gz FNESAIQQDLSXRX-QGZVFWFLSA-N -1 2 430.469 5.754 1 30 IKEFLM CCCCCC/C=C\CCCCCCCC(=O)Oc1cccc(O[P@@](=O)([O-])O)c1 ZINC000043450479 563120404 /nfs/dbraw/zinc/12/04/04/563120404.db2.gz NBTCWTBRKRXAAD-FPLPWBNLSA-N -1 2 426.490 6.321 1 30 IKEFLM CCCCCC/C=C\CCCCCCCC(=O)Oc1cccc(O[P@](=O)([O-])O)c1 ZINC000043450479 563120405 /nfs/dbraw/zinc/12/04/05/563120405.db2.gz NBTCWTBRKRXAAD-FPLPWBNLSA-N -1 2 426.490 6.321 1 30 IKEFLM CCCCCCCC/C=C/CCCCCCCC(=O)O[C@H](CF)CO[P@@](=O)([O-])O ZINC000043481917 563120561 /nfs/dbraw/zinc/12/05/61/563120561.db2.gz QCYIVIRLUVTLGV-SQUSKLHYSA-N -1 2 438.517 6.015 1 30 IKEFLM CCCCCCCC/C=C/CCCCCCCC(=O)O[C@H](CF)CO[P@](=O)([O-])O ZINC000043481917 563120563 /nfs/dbraw/zinc/12/05/63/563120563.db2.gz QCYIVIRLUVTLGV-SQUSKLHYSA-N -1 2 438.517 6.015 1 30 IKEFLM