smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc2ccc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)nc2c1 ZINC001164994968 722197178 /nfs/dbraw/zinc/19/71/78/722197178.db2.gz RCUMESKHCVTZDF-QHCPKHFHSA-N 0 3 406.461 4.527 20 5 HJBDHN Clc1ccc2ccc3ccc(N4CC[C@H]5[C@H]4CCN5Cc4cccnc4)nc3c2n1 ZINC001164725064 720389549 /nfs/dbraw/zinc/38/95/49/720389549.db2.gz LNEFWZDLAOUUCW-VQTJNVASSA-N 0 3 415.928 4.685 20 5 HJBDHN O=[N+]([O-])c1cccc2nc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)ccc21 ZINC001164994948 722198831 /nfs/dbraw/zinc/19/88/31/722198831.db2.gz QZCSCALMAQHEJO-QHCPKHFHSA-N 0 3 406.461 4.527 20 5 HJBDHN Clc1ccc2ccc3ccc(N4CC[C@H]5[C@@H]4CCN5Cc4cccnc4)nc3c2n1 ZINC001164725062 720390096 /nfs/dbraw/zinc/39/00/96/720390096.db2.gz LNEFWZDLAOUUCW-PMACEKPBSA-N 0 3 415.928 4.685 20 5 HJBDHN Clc1ccc2ccc3ccc(N4CC[C@@H]5[C@H]4CCN5Cc4cccnc4)nc3c2n1 ZINC001164725065 720390352 /nfs/dbraw/zinc/39/03/52/720390352.db2.gz LNEFWZDLAOUUCW-WOJBJXKFSA-N 0 3 415.928 4.685 20 5 HJBDHN O=[N+]([O-])c1cccc2ccc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)nc21 ZINC001164994609 722198132 /nfs/dbraw/zinc/19/81/32/722198132.db2.gz OIZOESVGRSYPBZ-HSZRJFAPSA-N 0 3 406.461 4.527 20 5 HJBDHN O=[N+]([O-])c1cnc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)c2ccccc21 ZINC001164992851 722198479 /nfs/dbraw/zinc/19/84/79/722198479.db2.gz BFVHYBXOZNXDHG-HSZRJFAPSA-N 0 3 406.461 4.527 20 5 HJBDHN O=[N+]([O-])c1cnc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)c2ccccc21 ZINC001164992852 722198359 /nfs/dbraw/zinc/19/83/59/722198359.db2.gz BFVHYBXOZNXDHG-QHCPKHFHSA-N 0 3 406.461 4.527 20 5 HJBDHN Clc1ccc2ccc3ccc(N4CC[C@@H]5[C@@H]4CCN5Cc4cccnc4)nc3c2n1 ZINC001164725063 720389758 /nfs/dbraw/zinc/38/97/58/720389758.db2.gz LNEFWZDLAOUUCW-UXHICEINSA-N 0 3 415.928 4.685 20 5 HJBDHN O=[N+]([O-])c1ccc2ccc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)nc2c1 ZINC001164994966 722197408 /nfs/dbraw/zinc/19/74/08/722197408.db2.gz RCUMESKHCVTZDF-HSZRJFAPSA-N 0 3 406.461 4.527 20 5 HJBDHN O=[N+]([O-])c1cccc2nc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)ccc21 ZINC001164994947 722199243 /nfs/dbraw/zinc/19/92/43/722199243.db2.gz QZCSCALMAQHEJO-HSZRJFAPSA-N 0 3 406.461 4.527 20 5 HJBDHN O=[N+]([O-])c1cccc2ccc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)nc21 ZINC001164994611 722198441 /nfs/dbraw/zinc/19/84/41/722198441.db2.gz OIZOESVGRSYPBZ-QHCPKHFHSA-N 0 3 406.461 4.527 20 5 HJBDHN O=[N+]([O-])c1ccc2c(ccnc2N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)c1 ZINC001164996586 722212937 /nfs/dbraw/zinc/21/29/37/722212937.db2.gz ODONAAJIYJNDID-HSZRJFAPSA-N 0 3 406.461 4.527 20 5 HJBDHN O=[N+]([O-])c1ccc2c(ccnc2N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)c1 ZINC001164996587 722213202 /nfs/dbraw/zinc/21/32/02/722213202.db2.gz ODONAAJIYJNDID-QHCPKHFHSA-N 0 3 406.461 4.527 20 5 HJBDHN