smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](CC[NH3+])[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000841053098 1132323885 /nfs/dbraw/zinc/32/38/85/1132323885.db2.gz ZJERGEASAGVIJA-AWEZNQCLSA-N 2 0 278.399 3.820 20 5 CHBDRP CCC[C@H]([NH2+][C@H](C)CCCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423441594 330201754 /nfs/dbraw/zinc/20/17/54/330201754.db2.gz UPKMMHFSJDOINC-CJNGLKHVSA-N 2 0 293.411 3.543 20 5 CHBDRP C[C@@H]([NH3+])C[N@H+](C)Cc1c2ccccc2cc2ccccc21 ZINC001235963175 1130818070 /nfs/dbraw/zinc/81/80/70/1130818070.db2.gz QBGMJIFJCVTXTO-CQSZACIVSA-N 2 0 278.399 3.772 20 5 CHBDRP C[C@H](CC[NH3+])[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000841053099 1132324647 /nfs/dbraw/zinc/32/46/47/1132324647.db2.gz ZJERGEASAGVIJA-CQSZACIVSA-N 2 0 278.399 3.820 20 5 CHBDRP Nc1ccc2cc3ccc(NC4=C[NH2+]CCC4)cc3[nH+]c2c1 ZINC001159700790 1132893724 /nfs/dbraw/zinc/89/37/24/1132893724.db2.gz SNHULVKRFFUGED-UHFFFAOYSA-N 2 0 290.370 3.607 20 5 CHBDRP C[C@]1([NH3+])CC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001204782625 1133485330 /nfs/dbraw/zinc/48/53/30/1133485330.db2.gz HPCNLLNTLVCKMO-FQEVSTJZSA-N 2 0 290.410 3.916 20 5 CHBDRP [NH3+]CCC1C[NH+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001235918729 1130804977 /nfs/dbraw/zinc/80/49/77/1130804977.db2.gz JVJNIYQXWUATSW-UHFFFAOYSA-N 2 0 290.410 3.774 20 5 CHBDRP CC1(C[NH3+])C[NH+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001206722415 1133735144 /nfs/dbraw/zinc/73/51/44/1133735144.db2.gz AMUSGYUVRFKQTR-UHFFFAOYSA-N 2 0 290.410 3.774 20 5 CHBDRP CCC[C@H]([NH2+][C@@H](C)CCCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423441593 330201781 /nfs/dbraw/zinc/20/17/81/330201781.db2.gz UPKMMHFSJDOINC-BBRMVZONSA-N 2 0 293.411 3.543 20 5 CHBDRP C[C@H]([NH3+])C[N@H+](C)Cc1c2ccccc2cc2ccccc21 ZINC001235963174 1130818428 /nfs/dbraw/zinc/81/84/28/1130818428.db2.gz QBGMJIFJCVTXTO-AWEZNQCLSA-N 2 0 278.399 3.772 20 5 CHBDRP CCC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423441597 330201784 /nfs/dbraw/zinc/20/17/84/330201784.db2.gz UPKMMHFSJDOINC-XJKSGUPXSA-N 2 0 293.411 3.543 20 5 CHBDRP CCC[C@@H]([NH2+][C@H](C)CCCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000423441596 330201768 /nfs/dbraw/zinc/20/17/68/330201768.db2.gz UPKMMHFSJDOINC-CZUORRHYSA-N 2 0 293.411 3.543 20 5 CHBDRP CC[N+](C)(C)Cc1ccccc1NC(=[NH2+])C(C)(C)C ZINC001162664523 1133102997 /nfs/dbraw/zinc/10/29/97/1133102997.db2.gz JRTWNOUVSYFNAG-UHFFFAOYSA-N 2 0 262.421 3.718 20 5 CHBDRP c1ccc2c(c1)cc1ccccc1c2C[N@@H+]1CCC[NH2+]CC1 ZINC001204668343 1121007881 /nfs/dbraw/zinc/00/78/81/1121007881.db2.gz VEUCPYRYPQPLAJ-UHFFFAOYSA-N 2 0 290.410 3.788 20 5 CHBDRP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1c2ccccc2cc2ccccc21 ZINC001205190406 1133544063 /nfs/dbraw/zinc/54/40/63/1133544063.db2.gz OOIIEEJZHMFTBC-JLTOFOAXSA-N 2 0 290.410 3.915 20 5 CHBDRP C[N@@H+](Cc1c2ccccc2cc2ccccc21)CC1C[NH2+]C1 ZINC001235963984 1130819888 /nfs/dbraw/zinc/81/98/88/1130819888.db2.gz XSERRJMIUIDZMK-UHFFFAOYSA-N 2 0 290.410 3.644 20 5 CHBDRP c1ccc2c(c1)cc1ccccc1c2C[NH2+]C1CC[NH2+]CC1 ZINC000841026870 1132322048 /nfs/dbraw/zinc/32/20/48/1132322048.db2.gz UEDZCDPRJSOEBH-UHFFFAOYSA-N 2 0 290.410 3.835 20 5 CHBDRP [NH3+]C[C@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000843048469 1132494081 /nfs/dbraw/zinc/49/40/81/1132494081.db2.gz ZLFIRUVECDMVKC-OAHLLOKOSA-N 2 0 290.410 3.774 20 5 CHBDRP C[C@@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)C[C@H]1[NH3+] ZINC001206065263 1133652332 /nfs/dbraw/zinc/65/23/32/1133652332.db2.gz RNGKSBPXCWTTST-JLTOFOAXSA-N 2 0 290.410 3.772 20 5 CHBDRP C[N@H+](CCC[NH3+])Cc1c2ccccc2cc2ccccc21 ZINC001235435517 1130743464 /nfs/dbraw/zinc/74/34/64/1130743464.db2.gz MXQKREWGVZEKMW-UHFFFAOYSA-N 2 0 278.399 3.774 20 5 CHBDRP C[NH2+]CCC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000841043359 1132324872 /nfs/dbraw/zinc/32/48/72/1132324872.db2.gz VEOMVJPNNLICNJ-UHFFFAOYSA-N 2 0 278.399 3.692 20 5 CHBDRP C[NH2+]CC1C[NH+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001210560932 1134249414 /nfs/dbraw/zinc/24/94/14/1134249414.db2.gz FTBAFQCHNHNTHM-UHFFFAOYSA-N 2 0 290.410 3.644 20 5 CHBDRP [NH3+]C1CC[NH+](Cc2c3ccccc3cc3ccccc32)CC1 ZINC000843047321 1132495136 /nfs/dbraw/zinc/49/51/36/1132495136.db2.gz LOHUOHNBPRGOQC-UHFFFAOYSA-N 2 0 290.410 3.916 20 5 CHBDRP [NH3+]C[C@@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000843048468 1132494606 /nfs/dbraw/zinc/49/46/06/1132494606.db2.gz ZLFIRUVECDMVKC-HNNXBMFYSA-N 2 0 290.410 3.774 20 5 CHBDRP C[C@@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)C[C@@H]1[NH3+] ZINC001236094177 1130857696 /nfs/dbraw/zinc/85/76/96/1130857696.db2.gz RNGKSBPXCWTTST-VLIAUNLRSA-N 2 0 290.410 3.772 20 5 CHBDRP C[C@@]1([NH3+])CC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001204782626 1133485073 /nfs/dbraw/zinc/48/50/73/1133485073.db2.gz HPCNLLNTLVCKMO-HXUWFJFHSA-N 2 0 290.410 3.916 20 5 CHBDRP Nc1ccc2cc3ccc(Nc4cc[nH+]cc4)cc3[nH+]c2c1 ZINC001173883034 1132623488 /nfs/dbraw/zinc/62/34/88/1132623488.db2.gz CNBXCGQIJJNKSV-UHFFFAOYSA-N 2 0 286.338 3.531 20 5 CHBDRP