smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CC[C@H]([NH+](C)CC[C@@H](C)CC[N@@H+](C)[C@@H]2CCN(CC)[C@@H](C)C2)C[C@H]1C ZINC000411302555 823563496 /nfs/dbraw/zinc/56/34/96/823563496.db2.gz FWNJHZQVYCSCNV-QXHWAKKDSA-N 2 3 394.692 4.012 20 0 GIADHP CCN1CC[C@H]([NH+](C)CC[C@@H](C)CC[N@H+](C)[C@@H]2CCN(CC)[C@@H](C)C2)C[C@H]1C ZINC000411302555 823563499 /nfs/dbraw/zinc/56/34/99/823563499.db2.gz FWNJHZQVYCSCNV-QXHWAKKDSA-N 2 3 394.692 4.012 20 0 GIADHP CCN1CC[C@H]([N@@H+](C)CC[C@@H](C)CC[NH+](C)[C@@H]2CCN(CC)[C@@H](C)C2)C[C@H]1C ZINC000411302555 823563502 /nfs/dbraw/zinc/56/35/02/823563502.db2.gz FWNJHZQVYCSCNV-QXHWAKKDSA-N 2 3 394.692 4.012 20 0 GIADHP CCN1CC[C@H]([N@H+](C)CC[C@@H](C)CC[NH+](C)[C@@H]2CCN(CC)[C@@H](C)C2)C[C@H]1C ZINC000411302555 823563505 /nfs/dbraw/zinc/56/35/05/823563505.db2.gz FWNJHZQVYCSCNV-QXHWAKKDSA-N 2 3 394.692 4.012 20 0 GIADHP C[C@@H](NCc1ccccc1C[NH+]1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000164012062 823770300 /nfs/dbraw/zinc/77/03/00/823770300.db2.gz UYECRGMWXBZANJ-OAQYLSRUSA-N 2 3 395.591 4.464 20 0 GIADHP C[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000123020027 823449163 /nfs/dbraw/zinc/44/91/63/823449163.db2.gz RDGYCDGFOPGJKB-HXUWFJFHSA-N 2 3 381.564 4.074 20 0 GIADHP CCN1CC[C@@H]([NH+](C)CC[C@H](C)CC[N@@H+](C)[C@H]2CCN(CC)[C@@H](C)C2)C[C@@H]1C ZINC000411302551 823563460 /nfs/dbraw/zinc/56/34/60/823563460.db2.gz FWNJHZQVYCSCNV-NLPWIYRPSA-N 2 3 394.692 4.012 20 0 GIADHP CCN1CC[C@@H]([NH+](C)CC[C@H](C)CC[N@H+](C)[C@H]2CCN(CC)[C@@H](C)C2)C[C@@H]1C ZINC000411302551 823563463 /nfs/dbraw/zinc/56/34/63/823563463.db2.gz FWNJHZQVYCSCNV-NLPWIYRPSA-N 2 3 394.692 4.012 20 0 GIADHP CCN1CC[C@@H]([N@@H+](C)CC[C@H](C)CC[NH+](C)[C@H]2CCN(CC)[C@@H](C)C2)C[C@@H]1C ZINC000411302551 823563468 /nfs/dbraw/zinc/56/34/68/823563468.db2.gz FWNJHZQVYCSCNV-NLPWIYRPSA-N 2 3 394.692 4.012 20 0 GIADHP CCN1CC[C@@H]([N@H+](C)CC[C@H](C)CC[NH+](C)[C@H]2CCN(CC)[C@@H](C)C2)C[C@@H]1C ZINC000411302551 823563473 /nfs/dbraw/zinc/56/34/73/823563473.db2.gz FWNJHZQVYCSCNV-NLPWIYRPSA-N 2 3 394.692 4.012 20 0 GIADHP Clc1ccccc1CN1CCC(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000459398548 823183470 /nfs/dbraw/zinc/18/34/70/823183470.db2.gz IODYTWVRCAHSIG-UHFFFAOYSA-N 2 3 398.982 4.206 20 0 GIADHP c1csc(C[NH+]2CCC(C[NH2+]C3CCN(C4CCCCC4)CC3)CC2)c1 ZINC000125446862 823676858 /nfs/dbraw/zinc/67/68/58/823676858.db2.gz HMNVUGBAHOVAMI-UHFFFAOYSA-N 2 3 375.626 4.347 20 0 GIADHP CCN1CC[C@@H]([NH+](C)CC[C@H](C)CC[N@@H+](C)[C@H]2CCN(CC)[C@H](C)C2)C[C@H]1C ZINC000411302557 823563556 /nfs/dbraw/zinc/56/35/56/823563556.db2.gz FWNJHZQVYCSCNV-ZSXJVMONSA-N 2 3 394.692 4.012 20 0 GIADHP CCN1CC[C@@H]([NH+](C)CC[C@H](C)CC[N@H+](C)[C@H]2CCN(CC)[C@H](C)C2)C[C@H]1C ZINC000411302557 823563557 /nfs/dbraw/zinc/56/35/57/823563557.db2.gz FWNJHZQVYCSCNV-ZSXJVMONSA-N 2 3 394.692 4.012 20 0 GIADHP CCN1CC[C@@H]([N@@H+](C)CC[C@H](C)CC[NH+](C)[C@H]2CCN(CC)[C@H](C)C2)C[C@H]1C ZINC000411302557 823563558 /nfs/dbraw/zinc/56/35/58/823563558.db2.gz FWNJHZQVYCSCNV-ZSXJVMONSA-N 2 3 394.692 4.012 20 0 GIADHP CCN1CC[C@@H]([N@H+](C)CC[C@H](C)CC[NH+](C)[C@H]2CCN(CC)[C@H](C)C2)C[C@H]1C ZINC000411302557 823563559 /nfs/dbraw/zinc/56/35/59/823563559.db2.gz FWNJHZQVYCSCNV-ZSXJVMONSA-N 2 3 394.692 4.012 20 0 GIADHP C[C@H](NCc1ccccc1C[NH+]1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000164011882 823770368 /nfs/dbraw/zinc/77/03/68/823770368.db2.gz UYECRGMWXBZANJ-NRFANRHFSA-N 2 3 395.591 4.464 20 0 GIADHP CC(CC[NH+](C)C1CCN(C(C)C)CC1)CC[N@H+](C)C1CCN(C(C)C)CC1 ZINC000411230209 823559038 /nfs/dbraw/zinc/55/90/38/823559038.db2.gz UZAOUFMYUZCPET-UHFFFAOYSA-N 2 3 394.692 4.012 20 0 GIADHP CC(CC[NH+](C)C1CCN(C(C)C)CC1)CC[N@@H+](C)C1CCN(C(C)C)CC1 ZINC000411230209 823559039 /nfs/dbraw/zinc/55/90/39/823559039.db2.gz UZAOUFMYUZCPET-UHFFFAOYSA-N 2 3 394.692 4.012 20 0 GIADHP C[C@H](NCc1cccc(C[NH+]2CCCC2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000123019765 823449212 /nfs/dbraw/zinc/44/92/12/823449212.db2.gz RDGYCDGFOPGJKB-FQEVSTJZSA-N 2 3 381.564 4.074 20 0 GIADHP CCN1CC[C@@H]([NH+](C)CC[C@H](C)CC[N@@H+](C)[C@H]2CCN(CC)[C@@H](C)C2)C[C@H]1C ZINC000411302553 823563387 /nfs/dbraw/zinc/56/33/87/823563387.db2.gz FWNJHZQVYCSCNV-PFYGBQHCSA-N 2 3 394.692 4.012 20 0 GIADHP CCN1CC[C@@H]([NH+](C)CC[C@H](C)CC[N@H+](C)[C@H]2CCN(CC)[C@@H](C)C2)C[C@H]1C ZINC000411302553 823563388 /nfs/dbraw/zinc/56/33/88/823563388.db2.gz FWNJHZQVYCSCNV-PFYGBQHCSA-N 2 3 394.692 4.012 20 0 GIADHP CCN1CC[C@@H]([N@@H+](C)CC[C@H](C)CC[NH+](C)[C@H]2CCN(CC)[C@@H](C)C2)C[C@H]1C ZINC000411302553 823563393 /nfs/dbraw/zinc/56/33/93/823563393.db2.gz FWNJHZQVYCSCNV-PFYGBQHCSA-N 2 3 394.692 4.012 20 0 GIADHP CCN1CC[C@@H]([N@H+](C)CC[C@H](C)CC[NH+](C)[C@H]2CCN(CC)[C@@H](C)C2)C[C@H]1C ZINC000411302553 823563397 /nfs/dbraw/zinc/56/33/97/823563397.db2.gz FWNJHZQVYCSCNV-PFYGBQHCSA-N 2 3 394.692 4.012 20 0 GIADHP