smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(CNC(=O)c2csc(C#CCN)c2)cc1 ZINC000093975632 193332547 /nfs/dbraw/zinc/33/25/47/193332547.db2.gz ZNOQBMVWELCJGP-UHFFFAOYSA-N 0 3 300.383 1.997 10 30 DDEEHN COc1cc(C#N)ccc1CN1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000121168798 195302157 /nfs/dbraw/zinc/30/21/57/195302157.db2.gz CLFXJAZVZAVQNO-YOEHRIQHSA-N 0 3 315.417 1.719 10 30 DDEEHN Cc1oc(NC(=O)CN2CCN3CCC[C@@H]3C2)c(C#N)c1C ZINC000178629252 407516423 /nfs/dbraw/zinc/51/64/23/407516423.db2.gz NCRCSKUOHKDAKM-CYBMUJFWSA-N 0 3 302.378 1.487 10 30 DDEEHN CN(C)C[C@@H]1CN(CCC(=O)Nc2ccccc2C#N)CCO1 ZINC000155258627 408145524 /nfs/dbraw/zinc/14/55/24/408145524.db2.gz JIWPLIGWKDCVSM-OAHLLOKOSA-N 0 3 316.405 1.149 10 30 DDEEHN C#CCCCC(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000192167857 222122665 /nfs/dbraw/zinc/12/26/65/222122665.db2.gz JOVFUGULZBYPNY-KRWDZBQOSA-N 0 3 300.402 1.325 10 30 DDEEHN CC(C)C[C@H](CN(C)C)NC(=O)C#Cc1ccc2c(c1)OCO2 ZINC000137470785 277477583 /nfs/dbraw/zinc/47/75/83/277477583.db2.gz GJPKBGDOOINSIW-OAHLLOKOSA-N 0 3 316.401 1.859 10 30 DDEEHN Cn1nccc1[C@H]1[C@H](N[C@@H]2CCC[C@@H](C#N)C2)CCC(=O)N1C ZINC000329044967 303097710 /nfs/dbraw/zinc/09/77/10/303097710.db2.gz UNPQMHTYKLUSBS-VMUDFCTBSA-N 0 3 315.421 1.754 10 30 DDEEHN C[C@@H]1C[C@@H](NC(=O)Cn2ncc(=O)c3ccccc32)CCN1C ZINC000329729282 534490279 /nfs/dbraw/zinc/49/02/79/534490279.db2.gz PDXVUBYXSNDQPN-OLZOCXBDSA-N 0 3 314.389 1.836 10 30 DDEEHN C#CCOc1ccccc1CN1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000120638562 696698988 /nfs/dbraw/zinc/69/89/88/696698988.db2.gz AAOBNTRRGPMRNX-HZPDHXFCSA-N 0 3 302.418 1.586 10 30 DDEEHN C#CCN(C[C@H](O)CN1CCCC1=O)[C@H]1CCc2ccccc21 ZINC000245463321 698333785 /nfs/dbraw/zinc/33/37/85/698333785.db2.gz HCWJZVNWIWAVBP-WMZOPIPTSA-N 0 3 312.413 1.592 10 30 DDEEHN COCC[C@H](N)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000088191401 185241361 /nfs/dbraw/zinc/24/13/61/185241361.db2.gz 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