smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH2+]CC[NH2+]Cc1ccc(N)cc1 107801720 1169143146 /nfs/dbraw/zinc/14/31/46/1169143146.db2.gz YOUJYVLGNUPJAU-UHFFFAOYSA-N 2 2 193.294 0.968 20 10 ACCDLP [NH3+]CC[NH2+]Cc1cccc(F)c1O 160935276 1169262784 /nfs/dbraw/zinc/26/27/84/1169262784.db2.gz FTDSBISCDGKMJG-UHFFFAOYSA-N 2 2 184.214 0.580 20 10 ACCDLP Nc1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 225967384 1169374015 /nfs/dbraw/zinc/37/40/15/1169374015.db2.gz NPGHFPNTSTZELE-NSHDSACASA-N 2 2 191.278 0.802 20 10 ACCDLP Nc1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 225967384 1169374024 /nfs/dbraw/zinc/37/40/24/1169374024.db2.gz NPGHFPNTSTZELE-NSHDSACASA-N 2 2 191.278 0.802 20 10 ACCDLP Nc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 225967397 1169375026 /nfs/dbraw/zinc/37/50/26/1169375026.db2.gz NPGHFPNTSTZELE-LLVKDONJSA-N 2 2 191.278 0.802 20 10 ACCDLP Nc1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 225967397 1169375035 /nfs/dbraw/zinc/37/50/35/1169375035.db2.gz NPGHFPNTSTZELE-LLVKDONJSA-N 2 2 191.278 0.802 20 10 ACCDLP [NH3+]CC[NH2+]Cc1cc(F)ccc1O 236263011 1169418004 /nfs/dbraw/zinc/41/80/04/1169418004.db2.gz AIQZFQKUHCTBTB-UHFFFAOYSA-N 2 2 184.214 0.580 20 10 ACCDLP C[NH2+]CC[NH2+]Cc1ccc(N)cc1 1262488072 1170130310 /nfs/dbraw/zinc/13/03/10/1170130310.db2.gz PECDIHCBOQNBHQ-UHFFFAOYSA-N 2 2 179.267 0.578 20 10 ACCDLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(N)cc1 1334774239 1170342715 /nfs/dbraw/zinc/34/27/15/1170342715.db2.gz HDXJIJQTSCFPFT-SECBINFHSA-N 2 2 193.294 0.966 20 10 ACCDLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(N)cc1 1334774241 1170343639 /nfs/dbraw/zinc/34/36/39/1170343639.db2.gz HDXJIJQTSCFPFT-VIFPVBQESA-N 2 2 193.294 0.966 20 10 ACCDLP C[N@H+](CC[NH3+])Cc1ccc(N)cc1 1334755090 1170345175 /nfs/dbraw/zinc/34/51/75/1170345175.db2.gz VJQDVJWUTVGJEE-UHFFFAOYSA-N 2 2 179.267 0.659 20 10 ACCDLP C[N@@H+](CC[NH3+])Cc1ccc(N)cc1 1334755090 1170345183 /nfs/dbraw/zinc/34/51/83/1170345183.db2.gz VJQDVJWUTVGJEE-UHFFFAOYSA-N 2 2 179.267 0.659 20 10 ACCDLP C[NH2+]CC[NH2+]Cc1ccccc1O 238342372 572578982 /nfs/dbraw/zinc/57/89/82/572578982.db2.gz WJFAELMFWVJWPA-UHFFFAOYSA-N 2 2 180.251 0.701 20 10 ACCDLP C[NH2+]CC[NH2+]Cc1cccc(F)c1O 841037341 582550423 /nfs/dbraw/zinc/55/04/23/582550423.db2.gz ZNKUXZPDOPMSHG-UHFFFAOYSA-N 2 2 198.241 0.840 20 10 ACCDLP C[C@H](C[NH3+])[NH2+]Cc1cc(F)ccc1O 841059778 583112017 /nfs/dbraw/zinc/11/20/17/583112017.db2.gz CARIKEQFOOOFCM-SSDOTTSWSA-N 2 2 198.241 0.968 20 10 ACCDLP C[NH2+]CC[NH2+]Cc1cc(F)ccc1O 841035495 583112046 /nfs/dbraw/zinc/11/20/46/583112046.db2.gz KGBUOENILMXTTG-UHFFFAOYSA-N 2 2 198.241 0.840 20 10 ACCDLP C[C@H](C[NH3+])[NH2+]Cc1cccc(F)c1O 841061450 583112201 /nfs/dbraw/zinc/11/22/01/583112201.db2.gz YIQQWSDLQWLIMO-SSDOTTSWSA-N 2 2 198.241 0.968 20 10 ACCDLP C[C@@H](C[NH3+])[NH2+]Cc1cccc(F)c1O 841064296 583112332 /nfs/dbraw/zinc/11/23/32/583112332.db2.gz YIQQWSDLQWLIMO-ZETCQYMHSA-N 2 2 198.241 0.968 20 10 ACCDLP C[C@@H](C[NH3+])[NH2+]Cc1cc(F)ccc1O 841062731 583112463 /nfs/dbraw/zinc/11/24/63/583112463.db2.gz CARIKEQFOOOFCM-ZETCQYMHSA-N 2 2 198.241 0.968 20 10 ACCDLP C[N@H+](CC[NH3+])Cc1cccc(F)c1O 841100030 583112612 /nfs/dbraw/zinc/11/26/12/583112612.db2.gz CUKDWABCPDINMC-UHFFFAOYSA-N 2 2 198.241 0.922 20 10 ACCDLP C[N@@H+](CC[NH3+])Cc1cccc(F)c1O 841100030 583112615 /nfs/dbraw/zinc/11/26/15/583112615.db2.gz CUKDWABCPDINMC-UHFFFAOYSA-N 2 2 198.241 0.922 20 10 ACCDLP [NH3+]CC[NH2+]Cc1ccc2c(c1)CCO2 37713049 169189149 /nfs/dbraw/zinc/18/91/49/169189149.db2.gz WKRSDJWTPIFUBD-UHFFFAOYSA-N 2 2 192.262 0.670 20 10 ACCDLP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2O)C1 38538701 169253792 /nfs/dbraw/zinc/25/37/92/169253792.db2.gz RWIMLWWHVIJHRA-SNVBAGLBSA-N 2 2 192.262 0.925 20 10 ACCDLP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2O)C1 38538701 169253793 /nfs/dbraw/zinc/25/37/93/169253793.db2.gz RWIMLWWHVIJHRA-SNVBAGLBSA-N 2 2 192.262 0.925 20 10 ACCDLP [NH3+][C@H]1CC[N@H+](Cc2ccccc2O)C1 38538703 169274061 /nfs/dbraw/zinc/27/40/61/169274061.db2.gz RWIMLWWHVIJHRA-JTQLQIEISA-N 2 2 192.262 0.925 20 10 ACCDLP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2O)C1 38538703 169274062 /nfs/dbraw/zinc/27/40/62/169274062.db2.gz RWIMLWWHVIJHRA-JTQLQIEISA-N 2 2 192.262 0.925 20 10 ACCDLP Oc1ccccc1C[NH2+][C@@H]1CC[NH2+]C1 162940543 344216376 /nfs/dbraw/zinc/21/63/76/344216376.db2.gz TXLXXXUMVUNKJW-SNVBAGLBSA-N 2 2 192.262 0.844 20 10 ACCDLP Oc1ccccc1C[NH2+][C@H]1CC[NH2+]C1 162940651 344216383 /nfs/dbraw/zinc/21/63/83/344216383.db2.gz TXLXXXUMVUNKJW-JTQLQIEISA-N 2 2 192.262 0.844 20 10 ACCDLP